NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5768 | 1hxv | 4953 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LYS 29 HN LYS 29 -8.499 10.801 3.768 2 HA LYS 29 HA LYS 29 -6.828 8.387 3.988 3 1HB LYS 29 HB2 LYS 29 -9.177 8.683 2.115 4 2HB LYS 29 HB1 LYS 29 -8.242 7.229 2.437 5 1HG LYS 29 HG2 LYS 29 -9.427 6.724 4.265 6 2HG LYS 29 HG1 LYS 29 -9.479 8.400 4.814 7 1HD LYS 29 HD2 LYS 29 -11.720 7.709 4.335 8 2HD LYS 29 HD1 LYS 29 -11.217 8.836 3.073 9 1HE LYS 29 HE2 LYS 29 -12.356 7.013 2.026 10 2HE LYS 29 HE1 LYS 29 -10.639 6.872 1.649 11 1HZ LYS 29 HZ1 LYS 29 -10.391 5.103 3.131 12 2HZ LYS 29 HZ2 LYS 29 -11.854 4.775 2.348 13 3HZ LYS 29 HZ3 LYS 29 -11.858 5.413 3.914 14 H LEU 30 HN LEU 30 -5.225 8.187 2.532 15 HA LEU 30 HA LEU 30 -4.765 10.404 0.715 16 1HB LEU 30 HB2 LEU 30 -2.962 9.449 2.145 17 2HB LEU 30 HB1 LEU 30 -3.076 7.955 1.236 18 HG LEU 30 HG LEU 30 -2.696 10.030 -0.653 19 1HD1 LEU 30 HD11 LEU 30 -0.410 10.778 0.184 20 2HD1 LEU 30 HD12 LEU 30 -0.957 10.267 1.781 21 3HD1 LEU 30 HD13 LEU 30 -1.825 11.535 0.916 22 1HD2 LEU 30 HD21 LEU 30 -0.728 7.997 0.385 23 2HD2 LEU 30 HD22 LEU 30 -0.694 8.801 -1.184 24 3HD2 LEU 30 HD23 LEU 30 -1.987 7.664 -0.803 25 H ALA 31 HN ALA 31 -6.169 10.195 -1.006 26 HA ALA 31 HA ALA 31 -6.462 7.634 -2.312 27 1HB ALA 31 HB1 ALA 31 -8.470 8.537 -2.603 28 2HB ALA 31 HB2 ALA 31 -7.739 9.451 -3.925 29 3HB ALA 31 HB3 ALA 31 -7.875 10.174 -2.323 30 H ASN 32 HN ASN 32 -6.694 8.245 -4.945 31 HA ASN 32 HA ASN 32 -4.184 7.879 -5.972 32 1HB ASN 32 HB2 ASN 32 -6.812 8.505 -7.039 33 2HB ASN 32 HB1 ASN 32 -5.526 9.193 -8.025 34 1HD2 ASN 32 HD21 ASN 32 -6.433 7.646 -9.589 35 2HD2 ASN 32 HD22 ASN 32 -5.825 6.029 -9.582 36 H GLY 33 HN GLY 33 -3.472 9.488 -7.922 37 1HA GLY 33 HA2 GLY 33 -2.240 11.336 -8.426 38 2HA GLY 33 HA1 GLY 33 -3.471 12.243 -7.578 39 H ASP 34 HN ASP 34 -1.903 9.954 -5.600 40 HA ASP 34 HA ASP 34 -0.074 12.028 -4.572 41 1HB ASP 34 HB2 ASP 34 -1.939 10.170 -3.159 42 2HB ASP 34 HB1 ASP 34 -0.448 10.657 -2.357 43 H ILE 35 HN ILE 35 1.738 11.052 -3.205 44 HA ILE 35 HA ILE 35 2.770 8.658 -4.577 45 HB ILE 35 HB ILE 35 4.286 10.708 -2.989 46 1HG1 ILE 35 HG12 ILE 35 5.206 11.387 -5.208 47 2HG1 ILE 35 HG11 ILE 35 3.986 10.368 -5.964 48 1HG2 ILE 35 HG21 ILE 35 5.114 8.262 -3.246 49 2HG2 ILE 35 HG22 ILE 35 6.227 9.613 -3.455 50 3HG2 ILE 35 HG23 ILE 35 5.551 8.800 -4.867 51 1HD1 ILE 35 HD11 ILE 35 2.282 11.800 -5.441 52 2HD1 ILE 35 HD12 ILE 35 3.613 12.935 -5.668 53 3HD1 ILE 35 HD13 ILE 35 3.124 12.464 -4.041 54 H ALA 36 HN ALA 36 2.623 6.772 -3.334 55 HA ALA 36 HA ALA 36 2.346 7.126 -0.446 56 1HB ALA 36 HB1 ALA 36 0.522 5.939 -1.070 57 2HB ALA 36 HB2 ALA 36 1.636 4.610 -0.748 58 3HB ALA 36 HB3 ALA 36 1.354 5.142 -2.405 59 H ILE 37 HN ILE 37 4.363 7.028 0.497 60 HA ILE 37 HA ILE 37 6.333 5.123 -0.406 61 HB ILE 37 HB ILE 37 7.449 6.956 0.429 62 1HG1 ILE 37 HG12 ILE 37 7.522 4.656 2.124 63 2HG1 ILE 37 HG11 ILE 37 8.814 5.765 1.718 64 1HG2 ILE 37 HG21 ILE 37 5.425 7.130 2.632 65 2HG2 ILE 37 HG22 ILE 37 5.608 8.212 1.253 66 3HG2 ILE 37 HG23 ILE 37 6.846 8.160 2.507 67 1HD1 ILE 37 HD11 ILE 37 7.471 7.163 3.631 68 2HD1 ILE 37 HD12 ILE 37 8.877 6.140 3.912 69 3HD1 ILE 37 HD13 ILE 37 7.257 5.498 4.167 70 H ILE 38 HN ILE 38 4.978 3.307 -0.231 71 HA ILE 38 HA ILE 38 4.141 2.502 2.430 72 HB ILE 38 HB ILE 38 3.133 0.561 1.164 73 1HG1 ILE 38 HG12 ILE 38 3.638 2.314 -1.237 74 2HG1 ILE 38 HG11 ILE 38 4.647 0.925 -0.847 75 1HG2 ILE 38 HG21 ILE 38 2.367 3.378 1.203 76 2HG2 ILE 38 HG22 ILE 38 1.449 1.945 1.665 77 3HG2 ILE 38 HG23 ILE 38 1.540 2.425 -0.029 78 1HD1 ILE 38 HD11 ILE 38 2.743 -0.548 -1.069 79 2HD1 ILE 38 HD12 ILE 38 2.958 0.413 -2.532 80 3HD1 ILE 38 HD13 ILE 38 1.690 0.831 -1.381 81 H ASP 39 HN ASP 39 5.215 1.090 3.666 82 HA ASP 39 HA ASP 39 7.456 -0.422 2.543 83 1HB ASP 39 HB2 ASP 39 6.603 -0.492 5.434 84 2HB ASP 39 HB1 ASP 39 8.196 -0.783 4.753 85 H PHE 40 HN PHE 40 6.256 -1.779 1.300 86 HA PHE 40 HA PHE 40 4.375 -3.547 2.659 87 1HB PHE 40 HB2 PHE 40 3.448 -4.101 0.563 88 2HB PHE 40 HB1 PHE 40 3.796 -2.384 0.480 89 HD1 PHE 40 HD1 PHE 40 5.266 -1.496 -1.121 90 HD2 PHE 40 HD2 PHE 40 4.927 -5.711 -0.638 91 HE1 PHE 40 HE1 PHE 40 6.493 -1.831 -3.226 92 HE2 PHE 40 HE2 PHE 40 6.162 -6.053 -2.739 93 HZ PHE 40 HZ PHE 40 6.944 -4.112 -4.037 94 H THR 41 HN THR 41 5.037 -5.385 3.458 95 HA THR 41 HA THR 41 7.442 -6.657 2.413 96 HB THR 41 HB THR 41 5.878 -7.624 4.783 97 HG1 THR 41 HG1 THR 41 6.236 -5.373 5.046 98 1HG2 THR 41 HG21 THR 41 7.850 -8.538 5.546 99 2HG2 THR 41 HG22 THR 41 8.847 -7.488 4.539 100 3HG2 THR 41 HG23 THR 41 7.943 -8.813 3.807 101 H GLY 42 HN GLY 42 7.199 -8.120 0.849 102 1HA GLY 42 HA2 GLY 42 4.757 -9.414 0.184 103 2HA GLY 42 HA1 GLY 42 6.353 -9.787 -0.454 104 H ILE 43 HN ILE 43 4.139 -10.405 2.226 105 HA ILE 43 HA ILE 43 5.731 -12.674 3.099 106 HB ILE 43 HB ILE 43 3.019 -12.453 4.168 107 1HG1 ILE 43 HG12 ILE 43 4.782 -10.099 4.094 108 2HG1 ILE 43 HG11 ILE 43 3.047 -10.199 4.382 109 1HG2 ILE 43 HG21 ILE 43 4.227 -12.771 6.294 110 2HG2 ILE 43 HG22 ILE 43 5.750 -12.677 5.412 111 3HG2 ILE 43 HG23 ILE 43 4.622 -13.992 5.086 112 1HD1 ILE 43 HD11 ILE 43 4.245 -9.286 6.295 113 2HD1 ILE 43 HD12 ILE 43 5.207 -10.762 6.398 114 3HD1 ILE 43 HD13 ILE 43 3.469 -10.819 6.694 115 H VAL 44 HN VAL 44 5.531 -14.605 2.197 116 HA VAL 44 HA VAL 44 3.162 -15.193 0.600 117 HB VAL 44 HB VAL 44 5.327 -15.549 -0.461 118 1HG1 VAL 44 HG11 VAL 44 5.926 -17.914 1.227 119 2HG1 VAL 44 HG12 VAL 44 6.306 -16.320 1.877 120 3HG1 VAL 44 HG13 VAL 44 7.016 -16.841 0.350 121 1HG2 VAL 44 HG21 VAL 44 4.079 -17.005 -1.601 122 2HG2 VAL 44 HG22 VAL 44 3.294 -17.606 -0.141 123 3HG2 VAL 44 HG23 VAL 44 4.856 -18.259 -0.635 124 H ASP 45 HN ASP 45 1.786 -15.500 2.477 125 HA ASP 45 HA ASP 45 0.675 -16.758 4.017 126 1HB ASP 45 HB2 ASP 45 0.664 -18.219 1.914 127 2HB ASP 45 HB1 ASP 45 1.918 -19.167 2.709 128 H ASN 46 HN ASN 46 2.208 -15.899 5.657 129 HA ASN 46 HA ASN 46 3.179 -16.377 7.687 130 1HB ASN 46 HB2 ASN 46 3.837 -19.140 6.682 131 2HB ASN 46 HB1 ASN 46 3.851 -18.572 8.346 132 1HD2 ASN 46 HD21 ASN 46 2.466 -20.419 8.717 133 2HD2 ASN 46 HD22 ASN 46 0.769 -20.273 8.432 134 H LYS 47 HN LYS 47 4.822 -17.551 4.783 135 HA LYS 47 HA LYS 47 7.362 -16.897 5.992 136 1HB LYS 47 HB2 LYS 47 6.819 -18.875 4.356 137 2HB LYS 47 HB1 LYS 47 7.063 -17.660 3.111 138 1HG LYS 47 HG2 LYS 47 9.182 -18.419 3.222 139 2HG LYS 47 HG1 LYS 47 9.282 -17.247 4.538 140 1HD LYS 47 HD2 LYS 47 8.355 -19.393 5.880 141 2HD LYS 47 HD1 LYS 47 9.286 -20.197 4.615 142 1HE LYS 47 HE2 LYS 47 10.885 -19.914 6.246 143 2HE LYS 47 HE1 LYS 47 11.127 -18.469 5.265 144 1HZ LYS 47 HZ1 LYS 47 10.980 -17.452 7.247 145 2HZ LYS 47 HZ2 LYS 47 10.132 -18.720 7.977 146 3HZ LYS 47 HZ3 LYS 47 9.311 -17.601 7.011 147 H LYS 48 HN LYS 48 8.788 -15.311 5.228 148 HA LYS 48 HA LYS 48 7.500 -13.210 3.603 149 1HB LYS 48 HB2 LYS 48 7.788 -12.508 5.928 150 2HB LYS 48 HB1 LYS 48 9.498 -12.907 5.859 151 1HG LYS 48 HG2 LYS 48 9.427 -11.186 3.840 152 2HG LYS 48 HG1 LYS 48 8.043 -10.579 4.751 153 1HD LYS 48 HD2 LYS 48 9.634 -9.385 5.827 154 2HD LYS 48 HD1 LYS 48 9.819 -10.877 6.750 155 1HE LYS 48 HE2 LYS 48 11.652 -11.569 5.333 156 2HE LYS 48 HE1 LYS 48 11.423 -10.160 4.299 157 1HZ LYS 48 HZ1 LYS 48 12.017 -9.875 7.180 158 2HZ LYS 48 HZ2 LYS 48 12.208 -8.734 5.946 159 3HZ LYS 48 HZ3 LYS 48 13.254 -10.060 6.040 160 H LEU 49 HN LEU 49 8.392 -13.076 1.652 161 HA LEU 49 HA LEU 49 11.098 -14.035 1.198 162 1HB LEU 49 HB2 LEU 49 10.522 -13.526 -1.217 163 2HB LEU 49 HB1 LEU 49 9.576 -14.774 -0.434 164 HG LEU 49 HG LEU 49 7.688 -13.302 -0.204 165 1HD1 LEU 49 HD11 LEU 49 8.704 -11.218 0.310 166 2HD1 LEU 49 HD12 LEU 49 7.795 -10.995 -1.185 167 3HD1 LEU 49 HD13 LEU 49 9.549 -11.175 -1.237 168 1HD2 LEU 49 HD21 LEU 49 7.766 -12.479 -2.813 169 2HD2 LEU 49 HD22 LEU 49 7.289 -14.085 -2.261 170 3HD2 LEU 49 HD23 LEU 49 8.944 -13.792 -2.796 171 H ALA 50 HN ALA 50 12.082 -12.555 -0.798 172 HA ALA 50 HA ALA 50 12.429 -9.903 0.427 173 1HB ALA 50 HB1 ALA 50 14.561 -10.093 -1.196 174 2HB ALA 50 HB2 ALA 50 14.299 -11.801 -0.843 175 3HB ALA 50 HB3 ALA 50 14.559 -10.658 0.475 176 H SER 51 HN SER 51 11.507 -11.601 -2.442 177 HA SER 51 HA SER 51 11.873 -9.656 -4.401 178 1HB SER 51 HB2 SER 51 10.163 -12.043 -4.079 179 2HB SER 51 HB1 SER 51 9.601 -10.856 -5.256 180 HG SER 51 HG SER 51 12.262 -11.813 -5.230 181 H ALA 52 HN ALA 52 8.738 -10.374 -2.877 182 HA ALA 52 HA ALA 52 7.805 -7.784 -3.651 183 1HB ALA 52 HB1 ALA 52 5.839 -8.750 -2.020 184 2HB ALA 52 HB2 ALA 52 6.600 -10.232 -2.603 185 3HB ALA 52 HB3 ALA 52 5.968 -9.056 -3.754 186 H SER 53 HN SER 53 9.948 -8.290 -1.424 187 HA SER 53 HA SER 53 8.663 -7.040 0.860 188 1HB SER 53 HB2 SER 53 10.458 -8.944 0.880 189 2HB SER 53 HB1 SER 53 11.599 -7.610 0.713 190 HG SER 53 HG SER 53 10.425 -6.690 2.589 191 H ALA 54 HN ALA 54 8.227 -4.936 0.218 192 HA ALA 54 HA ALA 54 10.587 -3.272 -0.347 193 1HB ALA 54 HB1 ALA 54 9.445 -1.978 -1.815 194 2HB ALA 54 HB2 ALA 54 7.893 -2.271 -1.034 195 3HB ALA 54 HB3 ALA 54 8.606 -3.511 -2.068 196 H GLN 55 HN GLN 55 11.042 -1.644 0.894 197 HA GLN 55 HA GLN 55 9.453 -1.221 3.291 198 1HB GLN 55 HB2 GLN 55 12.068 -1.517 3.030 199 2HB GLN 55 HB1 GLN 55 12.008 0.214 2.743 200 1HG GLN 55 HG2 GLN 55 12.380 0.110 5.008 201 2HG GLN 55 HG1 GLN 55 10.626 0.272 4.936 202 1HE2 GLN 55 HE21 GLN 55 13.284 -1.908 5.516 203 2HE2 GLN 55 HE22 GLN 55 12.367 -3.128 6.327 204 H ASN 56 HN ASN 56 10.840 1.485 3.274 205 HA ASN 56 HA ASN 56 8.632 3.092 2.576 206 1HB ASN 56 HB2 ASN 56 10.287 5.000 2.722 207 2HB ASN 56 HB1 ASN 56 10.221 3.972 4.150 208 1HD2 ASN 56 HD21 ASN 56 12.366 5.503 3.894 209 2HD2 ASN 56 HD22 ASN 56 13.753 4.581 3.435 210 H TYR 57 HN TYR 57 8.218 2.096 0.477 211 HA TYR 57 HA TYR 57 10.016 2.909 -1.677 212 1HB TYR 57 HB2 TYR 57 9.150 0.588 -1.657 213 2HB TYR 57 HB1 TYR 57 7.509 1.215 -1.781 214 HD1 TYR 57 HD1 TYR 57 7.058 2.771 -3.845 215 HD2 TYR 57 HD2 TYR 57 10.281 0.006 -3.591 216 HE1 TYR 57 HE1 TYR 57 7.237 2.764 -6.298 217 HE2 TYR 57 HE2 TYR 57 10.469 -0.009 -6.043 218 HH TYR 57 HH TYR 57 8.937 2.273 -8.018 219 H GLU 58 HN GLU 58 9.747 4.912 -2.365 220 HA GLU 58 HA GLU 58 7.337 6.373 -2.076 221 1HB GLU 58 HB2 GLU 58 9.392 7.141 -4.117 222 2HB GLU 58 HB1 GLU 58 8.443 8.168 -3.051 223 1HG GLU 58 HG2 GLU 58 10.363 8.367 -1.925 224 2HG GLU 58 HG1 GLU 58 9.913 6.805 -1.243 225 H LEU 59 HN LEU 59 5.754 5.100 -2.957 226 HA LEU 59 HA LEU 59 5.826 4.574 -5.827 227 1HB LEU 59 HB2 LEU 59 5.088 2.757 -4.384 228 2HB LEU 59 HB1 LEU 59 3.846 3.777 -3.688 229 HG LEU 59 HG LEU 59 2.560 3.746 -5.708 230 1HD1 LEU 59 HD11 LEU 59 4.099 1.923 -7.320 231 2HD1 LEU 59 HD12 LEU 59 5.031 3.379 -6.987 232 3HD1 LEU 59 HD13 LEU 59 3.443 3.504 -7.738 233 1HD2 LEU 59 HD21 LEU 59 2.139 1.833 -4.426 234 2HD2 LEU 59 HD22 LEU 59 3.644 1.062 -4.930 235 3HD2 LEU 59 HD23 LEU 59 2.326 1.264 -6.085 236 H THR 60 HN THR 60 4.069 5.267 -7.190 237 HA THR 60 HA THR 60 2.817 7.757 -6.225 238 HB THR 60 HB THR 60 2.819 7.288 -9.137 239 HG1 THR 60 HG1 THR 60 4.835 6.479 -8.886 240 1HG2 THR 60 HG21 THR 60 2.607 9.482 -9.097 241 2HG2 THR 60 HG22 THR 60 4.227 9.627 -8.413 242 3HG2 THR 60 HG23 THR 60 2.829 9.491 -7.347 243 H ILE 61 HN ILE 61 0.687 7.353 -5.706 244 HA ILE 61 HA ILE 61 -0.654 5.152 -7.022 245 HB ILE 61 HB ILE 61 -2.589 5.878 -5.517 246 1HG1 ILE 61 HG12 ILE 61 -0.367 7.346 -4.084 247 2HG1 ILE 61 HG11 ILE 61 -1.599 8.149 -5.050 248 1HG2 ILE 61 HG21 ILE 61 -1.848 4.076 -4.458 249 2HG2 ILE 61 HG22 ILE 61 -0.737 5.091 -3.536 250 3HG2 ILE 61 HG23 ILE 61 -0.218 4.364 -5.058 251 1HD1 ILE 61 HD11 ILE 61 -2.054 6.509 -2.572 252 2HD1 ILE 61 HD12 ILE 61 -3.323 7.235 -3.558 253 3HD1 ILE 61 HD13 ILE 61 -2.166 8.263 -2.716 254 H GLY 62 HN GLY 62 -1.246 5.584 -8.987 255 1HA GLY 62 HA2 GLY 62 -3.284 6.635 -10.094 256 2HA GLY 62 HA1 GLY 62 -2.558 8.153 -9.569 257 H SER 63 HN SER 63 -0.354 5.687 -10.448 258 HA SER 63 HA SER 63 0.274 7.130 -12.917 259 1HB SER 63 HB2 SER 63 2.522 6.298 -12.702 260 2HB SER 63 HB1 SER 63 2.038 6.952 -11.137 261 HG SER 63 HG SER 63 3.082 4.733 -11.316 262 H ASN 64 HN ASN 64 -1.073 4.231 -11.788 263 HA ASN 64 HA ASN 64 -1.830 2.372 -12.830 264 1HB ASN 64 HB2 ASN 64 -1.088 3.949 -15.296 265 2HB ASN 64 HB1 ASN 64 -1.865 2.371 -15.357 266 1HD2 ASN 64 HD21 ASN 64 -2.229 5.585 -13.919 267 2HD2 ASN 64 HD22 ASN 64 -3.953 5.621 -14.012 268 H SER 65 HN SER 65 1.041 2.709 -12.050 269 HA SER 65 HA SER 65 2.356 0.907 -13.940 270 1HB SER 65 HB2 SER 65 4.416 1.461 -12.846 271 2HB SER 65 HB1 SER 65 3.525 2.968 -13.058 272 HG SER 65 HG SER 65 2.862 2.793 -10.879 273 H PHE 66 HN PHE 66 0.896 0.897 -10.803 274 HA PHE 66 HA PHE 66 2.053 -1.716 -10.174 275 1HB PHE 66 HB2 PHE 66 1.116 0.499 -8.613 276 2HB PHE 66 HB1 PHE 66 0.202 -0.940 -8.174 277 HD1 PHE 66 HD1 PHE 66 3.633 0.402 -8.531 278 HD2 PHE 66 HD2 PHE 66 1.147 -2.601 -6.826 279 HE1 PHE 66 HE1 PHE 66 5.516 -0.363 -7.144 280 HE2 PHE 66 HE2 PHE 66 3.024 -3.370 -5.434 281 HZ PHE 66 HZ PHE 66 5.212 -2.251 -5.592 282 H ILE 67 HN ILE 67 0.652 -3.491 -9.521 283 HA ILE 67 HA ILE 67 -1.369 -4.028 -11.378 284 HB ILE 67 HB ILE 67 -1.965 -5.960 -9.940 285 1HG1 ILE 67 HG12 ILE 67 0.105 -4.764 -8.084 286 2HG1 ILE 67 HG11 ILE 67 -1.612 -4.966 -7.746 287 1HG2 ILE 67 HG21 ILE 67 0.966 -5.500 -10.465 288 2HG2 ILE 67 HG22 ILE 67 -0.214 -6.225 -11.556 289 3HG2 ILE 67 HG23 ILE 67 0.256 -7.068 -10.080 290 1HD1 ILE 67 HD11 ILE 67 0.432 -6.723 -7.108 291 2HD1 ILE 67 HD12 ILE 67 -0.380 -7.474 -8.481 292 3HD1 ILE 67 HD13 ILE 67 -1.300 -7.045 -7.039 293 H LYS 68 HN LYS 68 -3.652 -4.601 -10.831 294 HA LYS 68 HA LYS 68 -4.900 -2.340 -9.555 295 1HB LYS 68 HB2 LYS 68 -7.021 -3.444 -10.266 296 2HB LYS 68 HB1 LYS 68 -5.891 -3.162 -11.583 297 1HG LYS 68 HG2 LYS 68 -5.760 -5.327 -12.065 298 2HG LYS 68 HG1 LYS 68 -5.518 -5.769 -10.374 299 1HD LYS 68 HD2 LYS 68 -7.566 -6.650 -10.416 300 2HD LYS 68 HD1 LYS 68 -8.190 -5.003 -10.520 301 1HE LYS 68 HE2 LYS 68 -8.302 -5.103 -12.887 302 2HE LYS 68 HE1 LYS 68 -7.364 -6.595 -12.936 303 1HZ LYS 68 HZ1 LYS 68 -9.388 -7.522 -13.101 304 2HZ LYS 68 HZ2 LYS 68 -10.188 -6.201 -12.413 305 3HZ LYS 68 HZ3 LYS 68 -9.427 -7.338 -11.419 306 H GLY 69 HN GLY 69 -5.434 -2.216 -7.473 307 1HA GLY 69 HA2 GLY 69 -6.749 -3.193 -5.657 308 2HA GLY 69 HA1 GLY 69 -5.985 -4.732 -6.029 309 H PHE 70 HN PHE 70 -3.389 -3.264 -6.456 310 HA PHE 70 HA PHE 70 -2.467 -3.479 -3.738 311 1HB PHE 70 HB2 PHE 70 -1.227 -4.307 -5.778 312 2HB PHE 70 HB1 PHE 70 -0.889 -2.627 -6.169 313 HD1 PHE 70 HD1 PHE 70 0.499 -1.267 -4.619 314 HD2 PHE 70 HD2 PHE 70 0.005 -5.466 -4.151 315 HE1 PHE 70 HE1 PHE 70 2.489 -1.339 -3.179 316 HE2 PHE 70 HE2 PHE 70 1.995 -5.543 -2.707 317 HZ PHE 70 HZ PHE 70 3.235 -3.476 -2.223 318 H GLU 71 HN GLU 71 -1.565 -0.953 -6.073 319 HA GLU 71 HA GLU 71 -0.905 1.045 -4.337 320 1HB GLU 71 HB2 GLU 71 -1.904 0.959 -7.121 321 2HB GLU 71 HB1 GLU 71 -2.045 2.513 -6.310 322 1HG GLU 71 HG2 GLU 71 0.370 2.403 -5.780 323 2HG GLU 71 HG1 GLU 71 0.471 0.916 -6.722 324 H THR 72 HN THR 72 -4.133 0.175 -5.474 325 HA THR 72 HA THR 72 -5.541 2.349 -4.370 326 HB THR 72 HB THR 72 -7.465 0.536 -4.438 327 HG1 THR 72 HG1 THR 72 -6.996 -1.184 -5.702 328 1HG2 THR 72 HG21 THR 72 -7.871 1.977 -6.096 329 2HG2 THR 72 HG22 THR 72 -7.161 0.726 -7.115 330 3HG2 THR 72 HG23 THR 72 -6.174 2.079 -6.564 331 H GLY 73 HN GLY 73 -5.069 -0.961 -3.108 332 1HA GLY 73 HA2 GLY 73 -6.540 -0.778 -0.785 333 2HA GLY 73 HA1 GLY 73 -5.072 -1.732 -0.935 334 H LEU 74 HN LEU 74 -3.514 0.756 -1.510 335 HA LEU 74 HA LEU 74 -3.058 1.461 1.283 336 1HB LEU 74 HB2 LEU 74 -1.524 1.985 -1.256 337 2HB LEU 74 HB1 LEU 74 -1.088 2.732 0.270 338 HG LEU 74 HG LEU 74 0.321 0.848 0.000 339 1HD1 LEU 74 HD11 LEU 74 -1.279 -0.687 1.774 340 2HD1 LEU 74 HD12 LEU 74 -1.550 1.016 2.125 341 3HD1 LEU 74 HD13 LEU 74 0.084 0.364 2.151 342 1HD2 LEU 74 HD21 LEU 74 -2.142 -0.831 -0.448 343 2HD2 LEU 74 HD22 LEU 74 -0.468 -1.384 -0.467 344 3HD2 LEU 74 HD23 LEU 74 -1.047 -0.284 -1.717 345 H ILE 75 HN ILE 75 -4.277 2.902 -1.660 346 HA ILE 75 HA ILE 75 -4.152 5.593 -0.697 347 HB ILE 75 HB ILE 75 -5.078 6.302 -2.680 348 1HG1 ILE 75 HG12 ILE 75 -6.495 3.638 -2.917 349 2HG1 ILE 75 HG11 ILE 75 -7.237 5.182 -2.518 350 1HG2 ILE 75 HG21 ILE 75 -3.651 5.438 -4.142 351 2HG2 ILE 75 HG22 ILE 75 -4.330 3.822 -3.998 352 3HG2 ILE 75 HG23 ILE 75 -3.142 4.387 -2.823 353 1HD1 ILE 75 HD11 ILE 75 -7.626 4.483 -4.843 354 2HD1 ILE 75 HD12 ILE 75 -5.887 4.554 -5.131 355 3HD1 ILE 75 HD13 ILE 75 -6.773 6.022 -4.722 356 H ALA 76 HN ALA 76 -6.290 3.047 -0.085 357 HA ALA 76 HA ALA 76 -8.614 4.696 0.351 358 1HB ALA 76 HB1 ALA 76 -9.410 2.670 -0.236 359 2HB ALA 76 HB2 ALA 76 -9.291 2.353 1.494 360 3HB ALA 76 HB3 ALA 76 -8.012 1.810 0.408 361 H MET 77 HN MET 77 -5.909 3.647 2.223 362 HA MET 77 HA MET 77 -7.303 4.475 4.688 363 1HB MET 77 HB2 MET 77 -5.247 2.430 4.128 364 2HB MET 77 HB1 MET 77 -4.988 3.368 5.593 365 1HG MET 77 HG2 MET 77 -7.495 2.791 6.047 366 2HG MET 77 HG1 MET 77 -7.186 1.480 4.911 367 1HE MET 77 HE1 MET 77 -6.318 -1.123 7.361 368 2HE MET 77 HE2 MET 77 -6.546 -0.728 5.658 369 3HE MET 77 HE3 MET 77 -7.800 -0.329 6.831 370 H LYS 78 HN LYS 78 -5.757 5.478 6.350 371 HA LYS 78 HA LYS 78 -4.671 7.845 5.151 372 1HB LYS 78 HB2 LYS 78 -4.286 8.598 7.418 373 2HB LYS 78 HB1 LYS 78 -5.874 7.852 7.328 374 1HG LYS 78 HG2 LYS 78 -5.290 6.109 8.661 375 2HG LYS 78 HG1 LYS 78 -3.604 6.130 8.142 376 1HD LYS 78 HD2 LYS 78 -3.812 6.835 10.469 377 2HD LYS 78 HD1 LYS 78 -3.220 8.155 9.458 378 1HE LYS 78 HE2 LYS 78 -6.028 8.336 9.443 379 2HE LYS 78 HE1 LYS 78 -5.558 8.043 11.117 380 1HZ LYS 78 HZ1 LYS 78 -5.653 10.434 10.389 381 2HZ LYS 78 HZ2 LYS 78 -4.280 10.130 9.450 382 3HZ LYS 78 HZ3 LYS 78 -4.211 9.952 11.131 383 H VAL 79 HN VAL 79 -2.431 8.263 6.994 384 HA VAL 79 HA VAL 79 -0.497 6.512 5.659 385 HB VAL 79 HB VAL 79 -0.219 9.226 6.975 386 1HG1 VAL 79 HG11 VAL 79 1.902 7.413 5.865 387 2HG1 VAL 79 HG12 VAL 79 1.791 8.071 7.494 388 3HG1 VAL 79 HG13 VAL 79 2.142 9.136 6.133 389 1HG2 VAL 79 HG21 VAL 79 0.706 9.586 4.509 390 2HG2 VAL 79 HG22 VAL 79 -1.006 9.736 4.906 391 3HG2 VAL 79 HG23 VAL 79 -0.395 8.247 4.184 392 H ASN 80 HN ASN 80 1.381 5.835 6.968 393 HA ASN 80 HA ASN 80 2.332 4.821 8.769 394 1HB ASN 80 HB2 ASN 80 1.905 7.148 9.766 395 2HB ASN 80 HB1 ASN 80 0.509 6.421 10.557 396 1HD2 ASN 80 HD21 ASN 80 3.857 5.402 9.957 397 2HD2 ASN 80 HD22 ASN 80 4.207 5.000 11.600 398 H GLN 81 HN GLN 81 -0.261 3.926 7.523 399 HA GLN 81 HA GLN 81 -1.412 2.426 9.773 400 1HB GLN 81 HB2 GLN 81 -2.418 3.151 7.041 401 2HB GLN 81 HB1 GLN 81 -3.131 1.804 7.918 402 1HG GLN 81 HG2 GLN 81 -2.867 4.436 9.282 403 2HG GLN 81 HG1 GLN 81 -4.140 4.210 8.084 404 1HE2 GLN 81 HE21 GLN 81 -5.438 4.661 10.062 405 2HE2 GLN 81 HE22 GLN 81 -5.895 3.313 11.041 406 H LYS 82 HN LYS 82 -1.426 0.219 9.853 407 HA LYS 82 HA LYS 82 0.465 -1.133 8.102 408 1HB LYS 82 HB2 LYS 82 0.428 -1.401 10.633 409 2HB LYS 82 HB1 LYS 82 -1.049 -2.331 10.420 410 1HG LYS 82 HG2 LYS 82 0.207 -4.133 10.156 411 2HG LYS 82 HG1 LYS 82 0.778 -3.448 8.633 412 1HD LYS 82 HD2 LYS 82 2.744 -3.895 9.806 413 2HD LYS 82 HD1 LYS 82 2.477 -2.173 10.086 414 1HE LYS 82 HE2 LYS 82 2.007 -2.465 12.288 415 2HE LYS 82 HE1 LYS 82 1.266 -4.044 12.031 416 1HZ LYS 82 HZ1 LYS 82 4.134 -3.865 11.570 417 2HZ LYS 82 HZ2 LYS 82 3.226 -5.104 12.278 418 3HZ LYS 82 HZ3 LYS 82 3.626 -3.730 13.178 419 H LYS 83 HN LYS 83 -0.482 -1.528 6.170 420 HA LYS 83 HA LYS 83 -3.139 -2.736 6.114 421 1HB LYS 83 HB2 LYS 83 -2.579 -0.808 4.624 422 2HB LYS 83 HB1 LYS 83 -1.426 -1.843 3.794 423 1HG LYS 83 HG2 LYS 83 -3.094 -2.350 2.418 424 2HG LYS 83 HG1 LYS 83 -3.739 -3.328 3.738 425 1HD LYS 83 HD2 LYS 83 -4.972 -1.302 4.528 426 2HD LYS 83 HD1 LYS 83 -4.441 -0.474 3.063 427 1HE LYS 83 HE2 LYS 83 -6.529 -1.241 2.446 428 2HE LYS 83 HE1 LYS 83 -5.478 -2.525 1.848 429 1HZ LYS 83 HZ1 LYS 83 -7.309 -3.517 2.970 430 2HZ LYS 83 HZ2 LYS 83 -7.089 -2.549 4.339 431 3HZ LYS 83 HZ3 LYS 83 -5.945 -3.732 3.949 432 H THR 84 HN THR 84 -2.350 -4.781 7.010 433 HA THR 84 HA THR 84 -0.590 -6.375 5.352 434 HB THR 84 HB THR 84 -2.155 -7.114 7.833 435 HG1 THR 84 HG1 THR 84 -0.651 -5.787 8.567 436 1HG2 THR 84 HG21 THR 84 0.189 -8.674 7.486 437 2HG2 THR 84 HG22 THR 84 -0.791 -8.797 6.026 438 3HG2 THR 84 HG23 THR 84 -1.490 -9.203 7.593 439 H LEU 85 HN LEU 85 -2.179 -5.995 3.530 440 HA LEU 85 HA LEU 85 -4.544 -7.685 3.606 441 1HB LEU 85 HB2 LEU 85 -4.667 -5.442 2.624 442 2HB LEU 85 HB1 LEU 85 -3.456 -5.889 1.439 443 HG LEU 85 HG LEU 85 -5.917 -7.548 1.549 444 1HD1 LEU 85 HD11 LEU 85 -6.981 -5.450 1.684 445 2HD1 LEU 85 HD12 LEU 85 -6.992 -5.878 -0.026 446 3HD1 LEU 85 HD13 LEU 85 -5.825 -4.703 0.581 447 1HD2 LEU 85 HD21 LEU 85 -5.567 -7.441 -0.923 448 2HD2 LEU 85 HD22 LEU 85 -4.229 -8.154 -0.024 449 3HD2 LEU 85 HD23 LEU 85 -4.108 -6.499 -0.618 450 H ALA 86 HN ALA 86 -4.774 -9.596 2.571 451 HA ALA 86 HA ALA 86 -2.394 -10.821 1.443 452 1HB ALA 86 HB1 ALA 86 -3.396 -12.854 1.808 453 2HB ALA 86 HB2 ALA 86 -5.020 -12.225 1.529 454 3HB ALA 86 HB3 ALA 86 -4.191 -11.884 3.048 455 H LEU 87 HN LEU 87 -2.224 -9.565 -0.469 456 HA LEU 87 HA LEU 87 -4.388 -9.685 -2.396 457 1HB LEU 87 HB2 LEU 87 -2.950 -7.645 -1.939 458 2HB LEU 87 HB1 LEU 87 -1.670 -8.475 -2.803 459 HG LEU 87 HG LEU 87 -2.981 -8.494 -4.837 460 1HD1 LEU 87 HD11 LEU 87 -5.142 -6.910 -4.552 461 2HD1 LEU 87 HD12 LEU 87 -5.145 -7.733 -2.992 462 3HD1 LEU 87 HD13 LEU 87 -5.197 -8.672 -4.484 463 1HD2 LEU 87 HD21 LEU 87 -1.800 -6.314 -3.756 464 2HD2 LEU 87 HD22 LEU 87 -3.426 -5.697 -4.050 465 3HD2 LEU 87 HD23 LEU 87 -2.484 -6.370 -5.381 466 H THR 88 HN THR 88 -4.076 -10.365 -4.585 467 HA THR 88 HA THR 88 -2.439 -12.775 -4.761 468 HB THR 88 HB THR 88 -4.140 -11.917 -7.038 469 HG1 THR 88 HG1 THR 88 -5.776 -11.584 -5.773 470 1HG2 THR 88 HG21 THR 88 -4.701 -14.513 -5.965 471 2HG2 THR 88 HG22 THR 88 -2.965 -14.304 -6.196 472 3HG2 THR 88 HG23 THR 88 -4.070 -14.064 -7.549 473 H PHE 89 HN PHE 89 -1.615 -13.096 -7.164 474 HA PHE 89 HA PHE 89 -0.187 -10.638 -7.940 475 1HB PHE 89 HB2 PHE 89 0.821 -13.360 -7.353 476 2HB PHE 89 HB1 PHE 89 1.511 -12.569 -8.754 477 HD1 PHE 89 HD1 PHE 89 2.094 -13.202 -5.474 478 HD2 PHE 89 HD2 PHE 89 2.016 -9.921 -8.182 479 HE1 PHE 89 HE1 PHE 89 3.648 -11.973 -4.019 480 HE2 PHE 89 HE2 PHE 89 3.568 -8.684 -6.728 481 HZ PHE 89 HZ PHE 89 4.386 -9.711 -4.647 482 HA PRO 90 HA PRO 90 -2.319 -11.766 -11.753 483 1HB PRO 90 HB2 PRO 90 -2.038 -9.413 -13.003 484 2HB PRO 90 HB1 PRO 90 -3.166 -9.617 -11.656 485 1HG PRO 90 HG2 PRO 90 -0.408 -8.442 -11.652 486 2HG PRO 90 HG1 PRO 90 -1.881 -7.836 -10.871 487 1HD PRO 90 HD2 PRO 90 0.047 -9.249 -9.552 488 2HD PRO 90 HD1 PRO 90 -1.665 -9.260 -9.082 489 H SER 91 HN SER 91 -1.777 -11.961 -14.000 490 HA SER 91 HA SER 91 0.805 -12.913 -14.499 491 1HB SER 91 HB2 SER 91 -1.552 -12.242 -16.212 492 2HB SER 91 HB1 SER 91 -0.005 -12.579 -16.988 493 HG SER 91 HG SER 91 -0.223 -14.617 -16.512 494 H ASP 92 HN ASP 92 -0.638 -9.766 -14.983 495 HA ASP 92 HA ASP 92 1.035 -8.512 -16.719 496 1HB ASP 92 HB2 ASP 92 -0.889 -7.690 -14.920 497 2HB ASP 92 HB1 ASP 92 0.555 -6.852 -14.359 498 H TYR 93 HN TYR 93 1.805 -9.510 -13.456 499 HA TYR 93 HA TYR 93 4.021 -7.947 -12.919 500 1HB TYR 93 HB2 TYR 93 2.817 -10.191 -11.763 501 2HB TYR 93 HB1 TYR 93 4.491 -10.662 -12.051 502 HD1 TYR 93 HD1 TYR 93 2.321 -8.205 -10.352 503 HD2 TYR 93 HD2 TYR 93 6.271 -9.727 -10.771 504 HE1 TYR 93 HE1 TYR 93 3.014 -6.935 -8.365 505 HE2 TYR 93 HE2 TYR 93 6.975 -8.464 -8.782 506 HH TYR 93 HH TYR 93 6.027 -7.447 -6.814 507 H HIS 94 HN HIS 94 6.176 -8.035 -13.358 508 HA HIS 94 HA HIS 94 6.964 -8.993 -15.873 509 1HB HIS 94 HB2 HIS 94 8.147 -7.491 -13.699 510 2HB HIS 94 HB1 HIS 94 9.313 -8.607 -14.402 511 HD1 HIS 94 HD1 HIS 94 6.687 -7.031 -16.548 512 HD2 HIS 94 HD2 HIS 94 10.715 -6.536 -15.655 513 HE1 HIS 94 HE1 HIS 94 7.565 -5.423 -18.271 514 HE2 HIS 94 HE2 HIS 94 10.023 -5.205 -17.762 515 H VAL 95 HN VAL 95 6.914 -10.548 -12.780 516 HA VAL 95 HA VAL 95 8.725 -12.637 -13.726 517 HB VAL 95 HB VAL 95 9.120 -11.753 -11.473 518 1HG1 VAL 95 HG11 VAL 95 6.325 -11.997 -11.266 519 2HG1 VAL 95 HG12 VAL 95 7.462 -11.385 -10.065 520 3HG1 VAL 95 HG13 VAL 95 7.031 -13.097 -10.079 521 1HG2 VAL 95 HG21 VAL 95 9.808 -13.761 -10.690 522 2HG2 VAL 95 HG22 VAL 95 9.311 -14.302 -12.294 523 3HG2 VAL 95 HG23 VAL 95 8.229 -14.513 -10.918 524 H LYS 96 HN LYS 96 8.101 -14.578 -14.256 525 HA LYS 96 HA LYS 96 5.487 -15.200 -14.996 526 1HB LYS 96 HB2 LYS 96 7.853 -16.351 -15.484 527 2HB LYS 96 HB1 LYS 96 7.268 -17.461 -14.253 528 1HG LYS 96 HG2 LYS 96 5.270 -17.896 -15.572 529 2HG LYS 96 HG1 LYS 96 5.822 -16.754 -16.799 530 1HD LYS 96 HD2 LYS 96 7.935 -18.227 -16.903 531 2HD LYS 96 HD1 LYS 96 6.954 -19.434 -16.068 532 1HE LYS 96 HE2 LYS 96 5.436 -19.592 -17.850 533 2HE LYS 96 HE1 LYS 96 6.004 -18.090 -18.578 534 1HZ LYS 96 HZ1 LYS 96 6.744 -20.220 -19.672 535 2HZ LYS 96 HZ2 LYS 96 7.734 -20.479 -18.326 536 3HZ LYS 96 HZ3 LYS 96 7.972 -19.116 -19.299 537 H GLU 97 HN GLU 97 7.228 -15.942 -12.039 538 HA GLU 97 HA GLU 97 5.386 -17.679 -10.876 539 1HB GLU 97 HB2 GLU 97 7.005 -15.773 -9.227 540 2HB GLU 97 HB1 GLU 97 6.566 -17.437 -8.873 541 1HG GLU 97 HG2 GLU 97 8.641 -16.433 -10.793 542 2HG GLU 97 HG1 GLU 97 8.866 -17.436 -9.363 543 H LEU 98 HN LEU 98 5.619 -14.142 -10.544 544 HA LEU 98 HA LEU 98 3.332 -14.098 -8.808 545 1HB LEU 98 HB2 LEU 98 5.089 -11.974 -9.951 546 2HB LEU 98 HB1 LEU 98 3.575 -11.552 -9.192 547 HG LEU 98 HG LEU 98 4.423 -11.759 -7.151 548 1HD1 LEU 98 HD11 LEU 98 5.685 -14.337 -8.039 549 2HD1 LEU 98 HD12 LEU 98 4.221 -14.129 -7.076 550 3HD1 LEU 98 HD13 LEU 98 5.793 -13.700 -6.398 551 1HD2 LEU 98 HD21 LEU 98 7.153 -12.312 -8.218 552 2HD2 LEU 98 HD22 LEU 98 6.654 -11.225 -6.917 553 3HD2 LEU 98 HD23 LEU 98 6.353 -10.788 -8.599 554 H GLN 99 HN GLN 99 2.998 -15.164 -11.491 555 HA GLN 99 HA GLN 99 1.228 -13.261 -12.762 556 1HB GLN 99 HB2 GLN 99 1.953 -16.127 -13.414 557 2HB GLN 99 HB1 GLN 99 0.799 -15.183 -14.345 558 1HG GLN 99 HG2 GLN 99 2.553 -13.574 -14.893 559 2HG GLN 99 HG1 GLN 99 3.710 -14.518 -13.958 560 1HE2 GLN 99 HE21 GLN 99 3.160 -17.059 -14.674 561 2HE2 GLN 99 HE22 GLN 99 3.443 -17.289 -16.362 562 H SER 100 HN SER 100 1.192 -16.167 -10.807 563 HA SER 100 HA SER 100 -1.632 -15.683 -10.166 564 1HB SER 100 HB2 SER 100 -1.124 -17.586 -11.969 565 2HB SER 100 HB1 SER 100 -0.818 -18.529 -10.510 566 HG SER 100 HG SER 100 -3.064 -18.432 -11.400 567 H LYS 101 HN LYS 101 0.117 -14.844 -8.402 568 HA LYS 101 HA LYS 101 0.416 -17.042 -6.461 569 1HB LYS 101 HB2 LYS 101 2.323 -15.075 -7.424 570 2HB LYS 101 HB1 LYS 101 2.226 -15.114 -5.669 571 1HG LYS 101 HG2 LYS 101 2.364 -17.732 -6.120 572 2HG LYS 101 HG1 LYS 101 3.206 -17.160 -7.562 573 1HD LYS 101 HD2 LYS 101 4.901 -16.157 -6.324 574 2HD LYS 101 HD1 LYS 101 3.925 -16.098 -4.855 575 1HE LYS 101 HE2 LYS 101 4.232 -18.367 -4.417 576 2HE LYS 101 HE1 LYS 101 4.717 -18.717 -6.075 577 1HZ LYS 101 HZ1 LYS 101 6.831 -18.016 -5.704 578 2HZ LYS 101 HZ2 LYS 101 6.463 -18.531 -4.136 579 3HZ LYS 101 HZ3 LYS 101 6.389 -16.887 -4.524 580 HA PRO 102 HA PRO 102 -2.304 -14.331 -4.020 581 1HB PRO 102 HB2 PRO 102 -3.018 -16.212 -2.228 582 2HB PRO 102 HB1 PRO 102 -3.735 -16.150 -3.843 583 1HG PRO 102 HG2 PRO 102 -1.528 -17.896 -2.816 584 2HG PRO 102 HG1 PRO 102 -2.915 -18.330 -3.833 585 1HD PRO 102 HD2 PRO 102 -0.429 -17.885 -4.840 586 2HD PRO 102 HD1 PRO 102 -1.913 -17.547 -5.750 587 H VAL 103 HN VAL 103 -0.551 -13.073 -3.257 588 HA VAL 103 HA VAL 103 1.071 -14.176 -1.088 589 HB VAL 103 HB VAL 103 2.203 -13.071 -2.966 590 1HG1 VAL 103 HG11 VAL 103 1.071 -11.338 -3.840 591 2HG1 VAL 103 HG12 VAL 103 1.952 -10.396 -2.639 592 3HG1 VAL 103 HG13 VAL 103 0.304 -10.927 -2.306 593 1HG2 VAL 103 HG21 VAL 103 3.061 -13.051 -0.557 594 2HG2 VAL 103 HG22 VAL 103 2.577 -11.355 -0.532 595 3HG2 VAL 103 HG23 VAL 103 3.785 -11.911 -1.691 596 H THR 104 HN THR 104 1.576 -12.899 0.769 597 HA THR 104 HA THR 104 -0.694 -11.321 1.745 598 HB THR 104 HB THR 104 1.319 -12.017 3.726 599 HG1 THR 104 HG1 THR 104 -0.088 -14.150 2.502 600 1HG2 THR 104 HG21 THR 104 -0.446 -11.908 5.038 601 2HG2 THR 104 HG22 THR 104 -1.180 -13.275 4.201 602 3HG2 THR 104 HG23 THR 104 -1.466 -11.633 3.626 603 H PHE 105 HN PHE 105 -0.372 -9.260 1.276 604 HA PHE 105 HA PHE 105 2.327 -8.165 1.321 605 1HB PHE 105 HB2 PHE 105 -0.332 -7.166 0.342 606 2HB PHE 105 HB1 PHE 105 1.021 -6.065 0.550 607 HD1 PHE 105 HD1 PHE 105 3.215 -7.970 -0.364 608 HD2 PHE 105 HD2 PHE 105 -0.614 -7.017 -1.960 609 HE1 PHE 105 HE1 PHE 105 4.018 -8.523 -2.623 610 HE2 PHE 105 HE2 PHE 105 0.183 -7.573 -4.217 611 HZ PHE 105 HZ PHE 105 2.500 -8.320 -4.549 612 H GLU 106 HN GLU 106 3.110 -7.269 3.089 613 HA GLU 106 HA GLU 106 1.277 -6.132 5.085 614 1HB GLU 106 HB2 GLU 106 2.745 -7.491 6.278 615 2HB GLU 106 HB1 GLU 106 4.077 -7.193 5.175 616 1HG GLU 106 HG2 GLU 106 4.649 -5.195 6.193 617 2HG GLU 106 HG1 GLU 106 3.054 -4.995 6.919 618 H VAL 107 HN VAL 107 0.774 -4.292 3.836 619 HA VAL 107 HA VAL 107 2.967 -2.568 3.024 620 HB VAL 107 HB VAL 107 0.247 -1.558 2.586 621 1HG1 VAL 107 HG11 VAL 107 1.331 -0.486 0.974 622 2HG1 VAL 107 HG12 VAL 107 1.871 -1.999 0.254 623 3HG1 VAL 107 HG13 VAL 107 2.817 -1.245 1.538 624 1HG2 VAL 107 HG21 VAL 107 1.060 -4.265 1.625 625 2HG2 VAL 107 HG22 VAL 107 0.132 -3.220 0.551 626 3HG2 VAL 107 HG23 VAL 107 -0.526 -3.675 2.122 627 H VAL 108 HN VAL 108 3.777 -1.212 4.480 628 HA VAL 108 HA VAL 108 2.149 -0.158 6.621 629 HB VAL 108 HB VAL 108 5.020 -0.281 5.903 630 1HG1 VAL 108 HG11 VAL 108 5.386 1.479 7.823 631 2HG1 VAL 108 HG12 VAL 108 3.811 2.073 7.299 632 3HG1 VAL 108 HG13 VAL 108 5.154 2.013 6.159 633 1HG2 VAL 108 HG21 VAL 108 3.688 -0.358 8.602 634 2HG2 VAL 108 HG22 VAL 108 5.289 -0.955 8.166 635 3HG2 VAL 108 HG23 VAL 108 3.848 -1.763 7.548 636 H LEU 109 HN LEU 109 0.670 1.102 5.564 637 HA LEU 109 HA LEU 109 0.953 2.752 3.434 638 1HB LEU 109 HB2 LEU 109 -1.055 2.090 5.078 639 2HB LEU 109 HB1 LEU 109 -0.834 3.775 5.516 640 HG LEU 109 HG LEU 109 -1.298 2.770 2.710 641 1HD1 LEU 109 HD11 LEU 109 -3.415 2.567 3.392 642 2HD1 LEU 109 HD12 LEU 109 -3.435 4.330 3.366 643 3HD1 LEU 109 HD13 LEU 109 -3.126 3.474 4.877 644 1HD2 LEU 109 HD21 LEU 109 -0.112 4.748 2.473 645 2HD2 LEU 109 HD22 LEU 109 -0.860 5.483 3.892 646 3HD2 LEU 109 HD23 LEU 109 -1.794 5.280 2.409 647 H LYS 110 HN LYS 110 3.152 3.771 3.762 648 HA LYS 110 HA LYS 110 2.919 6.213 5.390 649 1HB LYS 110 HB2 LYS 110 5.148 4.442 4.743 650 2HB LYS 110 HB1 LYS 110 5.502 6.121 4.356 651 1HG LYS 110 HG2 LYS 110 4.481 6.458 6.799 652 2HG LYS 110 HG1 LYS 110 5.103 4.816 6.974 653 1HD LYS 110 HD2 LYS 110 7.286 5.470 6.717 654 2HD LYS 110 HD1 LYS 110 6.862 6.873 5.734 655 1HE LYS 110 HE2 LYS 110 6.983 8.174 7.529 656 2HE LYS 110 HE1 LYS 110 5.720 7.225 8.311 657 1HZ LYS 110 HZ1 LYS 110 8.320 5.982 8.363 658 2HZ LYS 110 HZ2 LYS 110 7.199 6.200 9.611 659 3HZ LYS 110 HZ3 LYS 110 8.254 7.454 9.196 660 H ALA 111 HN ALA 111 2.675 8.161 4.216 661 HA ALA 111 HA ALA 111 3.115 7.912 1.320 662 1HB ALA 111 HB1 ALA 111 0.708 9.214 2.532 663 2HB ALA 111 HB2 ALA 111 0.759 7.577 1.877 664 3HB ALA 111 HB3 ALA 111 1.045 8.960 0.820 665 H ILE 112 HN ILE 112 4.124 9.397 0.348 666 HA ILE 112 HA ILE 112 4.524 12.049 1.579 667 HB ILE 112 HB ILE 112 6.255 10.451 -0.300 668 1HG1 ILE 112 HG12 ILE 112 6.302 10.015 2.192 669 2HG1 ILE 112 HG11 ILE 112 7.847 10.458 1.476 670 1HG2 ILE 112 HG21 ILE 112 6.848 12.418 -1.200 671 2HG2 ILE 112 HG22 ILE 112 7.726 12.665 0.310 672 3HG2 ILE 112 HG23 ILE 112 6.113 13.348 0.106 673 1HD1 ILE 112 HD11 ILE 112 7.473 11.549 3.627 674 2HD1 ILE 112 HD12 ILE 112 6.024 12.319 2.982 675 3HD1 ILE 112 HD13 ILE 112 7.606 12.719 2.315 676 H LYS 113 HN LYS 113 3.783 13.862 0.317 677 HA LYS 113 HA LYS 113 2.615 13.165 -2.266 678 1HB LYS 113 HB2 LYS 113 2.192 15.449 -0.349 679 2HB LYS 113 HB1 LYS 113 1.598 15.517 -2.002 680 1HG LYS 113 HG2 LYS 113 -0.186 14.328 -1.460 681 2HG LYS 113 HG1 LYS 113 0.823 13.032 -0.816 682 1HD LYS 113 HD2 LYS 113 0.722 15.323 0.964 683 2HD LYS 113 HD1 LYS 113 -0.884 14.676 0.627 684 1HE LYS 113 HE2 LYS 113 -0.389 13.269 2.315 685 2HE LYS 113 HE1 LYS 113 0.479 12.389 1.059 686 1HZ LYS 113 HZ1 LYS 113 2.513 13.273 1.752 687 2HZ LYS 113 HZ2 LYS 113 1.722 12.876 3.193 688 3HZ LYS 113 HZ3 LYS 113 1.788 14.487 2.681 Start of MODEL 2 1 H LYS 29 HN LYS 29 -5.100 12.164 3.596 2 HA LYS 29 HA LYS 29 -5.430 10.472 2.115 3 1HB LYS 29 HB2 LYS 29 -7.726 11.941 1.963 4 2HB LYS 29 HB1 LYS 29 -7.194 11.958 0.287 5 1HG LYS 29 HG2 LYS 29 -6.891 9.315 1.076 6 2HG LYS 29 HG1 LYS 29 -8.402 9.833 1.824 7 1HD LYS 29 HD2 LYS 29 -7.696 10.092 -1.099 8 2HD LYS 29 HD1 LYS 29 -8.787 8.892 -0.401 9 1HE LYS 29 HE2 LYS 29 -9.276 11.810 0.040 10 2HE LYS 29 HE1 LYS 29 -9.759 11.052 -1.477 11 1HZ LYS 29 HZ1 LYS 29 -10.558 9.631 0.916 12 2HZ LYS 29 HZ2 LYS 29 -11.435 9.961 -0.492 13 3HZ LYS 29 HZ3 LYS 29 -11.291 11.142 0.709 14 H LEU 30 HN LEU 30 -3.524 10.217 1.100 15 HA LEU 30 HA LEU 30 -2.657 12.066 -0.960 16 1HB LEU 30 HB2 LEU 30 -1.013 11.109 0.583 17 2HB LEU 30 HB1 LEU 30 -1.441 9.492 0.057 18 HG LEU 30 HG LEU 30 -0.741 10.744 -2.305 19 1HD1 LEU 30 HD11 LEU 30 0.368 12.600 -1.681 20 2HD1 LEU 30 HD12 LEU 30 1.684 11.466 -1.378 21 3HD1 LEU 30 HD13 LEU 30 0.661 12.007 -0.046 22 1HD2 LEU 30 HD21 LEU 30 0.813 8.986 -0.421 23 2HD2 LEU 30 HD22 LEU 30 1.376 9.401 -2.040 24 3HD2 LEU 30 HD23 LEU 30 -0.129 8.505 -1.832 25 H ALA 31 HN ALA 31 -4.299 11.786 -2.519 26 HA ALA 31 HA ALA 31 -4.859 9.177 -3.573 27 1HB ALA 31 HB1 ALA 31 -5.953 10.962 -5.354 28 2HB ALA 31 HB2 ALA 31 -5.968 11.845 -3.829 29 3HB ALA 31 HB3 ALA 31 -6.753 10.269 -3.942 30 H ASN 32 HN ASN 32 -5.103 9.542 -6.247 31 HA ASN 32 HA ASN 32 -2.700 8.737 -7.278 32 1HB ASN 32 HB2 ASN 32 -4.994 10.124 -8.660 33 2HB ASN 32 HB1 ASN 32 -3.650 9.382 -9.520 34 1HD2 ASN 32 HD21 ASN 32 -3.241 7.074 -8.991 35 2HD2 ASN 32 HD22 ASN 32 -4.615 6.056 -8.749 36 H GLY 33 HN GLY 33 -1.882 10.036 -9.423 37 1HA GLY 33 HA2 GLY 33 -0.442 11.640 -10.159 38 2HA GLY 33 HA1 GLY 33 -1.494 12.785 -9.361 39 H ASP 34 HN ASP 34 -0.189 10.535 -7.177 40 HA ASP 34 HA ASP 34 1.978 12.403 -6.466 41 1HB ASP 34 HB2 ASP 34 -0.204 12.000 -4.957 42 2HB ASP 34 HB1 ASP 34 0.796 10.679 -4.360 43 H ILE 35 HN ILE 35 3.712 11.331 -5.092 44 HA ILE 35 HA ILE 35 4.298 8.665 -6.200 45 HB ILE 35 HB ILE 35 6.197 10.637 -4.966 46 1HG1 ILE 35 HG12 ILE 35 7.045 10.912 -7.296 47 2HG1 ILE 35 HG11 ILE 35 5.646 10.001 -7.856 48 1HG2 ILE 35 HG21 ILE 35 7.923 9.216 -5.392 49 2HG2 ILE 35 HG22 ILE 35 7.042 8.357 -6.655 50 3HG2 ILE 35 HG23 ILE 35 6.646 8.081 -4.959 51 1HD1 ILE 35 HD11 ILE 35 4.244 11.742 -7.573 52 2HD1 ILE 35 HD12 ILE 35 5.735 12.667 -7.749 53 3HD1 ILE 35 HD13 ILE 35 5.090 12.333 -6.143 54 H ALA 36 HN ALA 36 3.974 6.982 -4.718 55 HA ALA 36 HA ALA 36 3.953 7.718 -1.889 56 1HB ALA 36 HB1 ALA 36 2.611 5.751 -1.544 57 2HB ALA 36 HB2 ALA 36 2.830 5.272 -3.227 58 3HB ALA 36 HB3 ALA 36 1.922 6.733 -2.837 59 H ILE 37 HN ILE 37 5.993 7.432 -1.046 60 HA ILE 37 HA ILE 37 7.597 5.149 -1.793 61 HB ILE 37 HB ILE 37 9.032 6.879 -1.304 62 1HG1 ILE 37 HG12 ILE 37 8.819 4.958 0.888 63 2HG1 ILE 37 HG11 ILE 37 10.230 5.508 0.005 64 1HG2 ILE 37 HG21 ILE 37 7.264 7.671 0.985 65 2HG2 ILE 37 HG22 ILE 37 7.431 8.492 -0.566 66 3HG2 ILE 37 HG23 ILE 37 8.779 8.461 0.567 67 1HD1 ILE 37 HD11 ILE 37 10.525 7.347 1.449 68 2HD1 ILE 37 HD12 ILE 37 10.220 5.945 2.473 69 3HD1 ILE 37 HD13 ILE 37 8.938 7.117 2.180 70 H ILE 38 HN ILE 38 6.035 3.601 -1.282 71 HA ILE 38 HA ILE 38 5.303 3.280 1.510 72 HB ILE 38 HB ILE 38 3.895 1.408 0.594 73 1HG1 ILE 38 HG12 ILE 38 4.527 2.693 -2.063 74 2HG1 ILE 38 HG11 ILE 38 5.262 1.187 -1.522 75 1HG2 ILE 38 HG21 ILE 38 3.166 3.955 -0.758 76 2HG2 ILE 38 HG22 ILE 38 3.314 3.925 0.999 77 3HG2 ILE 38 HG23 ILE 38 2.165 2.858 0.192 78 1HD1 ILE 38 HD11 ILE 38 3.406 0.779 -3.022 79 2HD1 ILE 38 HD12 ILE 38 2.325 1.665 -1.948 80 3HD1 ILE 38 HD13 ILE 38 3.060 0.154 -1.410 81 H ASP 39 HN ASP 39 6.237 1.858 2.851 82 HA ASP 39 HA ASP 39 8.126 -0.103 1.789 83 1HB ASP 39 HB2 ASP 39 7.478 0.347 4.704 84 2HB ASP 39 HB1 ASP 39 8.920 -0.381 4.015 85 H PHE 40 HN PHE 40 6.638 -1.368 0.777 86 HA PHE 40 HA PHE 40 4.627 -2.672 2.443 87 1HB PHE 40 HB2 PHE 40 3.575 -3.450 0.410 88 2HB PHE 40 HB1 PHE 40 3.914 -1.736 0.269 89 HD1 PHE 40 HD1 PHE 40 5.343 -0.889 -1.419 90 HD2 PHE 40 HD2 PHE 40 4.948 -5.088 -0.842 91 HE1 PHE 40 HE1 PHE 40 6.457 -1.285 -3.575 92 HE2 PHE 40 HE2 PHE 40 6.071 -5.491 -2.994 93 HZ PHE 40 HZ PHE 40 6.824 -3.589 -4.365 94 H THR 41 HN THR 41 5.051 -4.505 3.401 95 HA THR 41 HA THR 41 7.195 -6.215 2.419 96 HB THR 41 HB THR 41 5.731 -6.999 4.854 97 HG1 THR 41 HG1 THR 41 6.459 -5.311 6.066 98 1HG2 THR 41 HG21 THR 41 7.744 -8.143 4.449 99 2HG2 THR 41 HG22 THR 41 8.076 -7.012 5.761 100 3HG2 THR 41 HG23 THR 41 8.617 -6.646 4.123 101 H GLY 42 HN GLY 42 6.699 -7.813 1.045 102 1HA GLY 42 HA2 GLY 42 4.044 -8.807 0.658 103 2HA GLY 42 HA1 GLY 42 5.519 -9.410 -0.086 104 H ILE 43 HN ILE 43 3.519 -9.572 2.808 105 HA ILE 43 HA ILE 43 4.943 -11.930 3.743 106 HB ILE 43 HB ILE 43 2.405 -11.254 5.047 107 1HG1 ILE 43 HG12 ILE 43 4.252 -9.128 4.446 108 2HG1 ILE 43 HG11 ILE 43 2.719 -9.049 5.303 109 1HG2 ILE 43 HG21 ILE 43 5.195 -11.869 5.970 110 2HG2 ILE 43 HG22 ILE 43 3.775 -12.913 6.019 111 3HG2 ILE 43 HG23 ILE 43 3.867 -11.503 7.072 112 1HD1 ILE 43 HD11 ILE 43 5.455 -9.533 6.449 113 2HD1 ILE 43 HD12 ILE 43 3.962 -9.719 7.370 114 3HD1 ILE 43 HD13 ILE 43 4.400 -8.143 6.709 115 H VAL 44 HN VAL 44 4.405 -13.911 3.065 116 HA VAL 44 HA VAL 44 1.846 -14.318 1.741 117 HB VAL 44 HB VAL 44 3.838 -15.145 0.607 118 1HG1 VAL 44 HG11 VAL 44 4.259 -17.383 2.477 119 2HG1 VAL 44 HG12 VAL 44 4.805 -15.804 3.038 120 3HG1 VAL 44 HG13 VAL 44 5.424 -16.463 1.524 121 1HG2 VAL 44 HG21 VAL 44 3.090 -17.537 0.310 122 2HG2 VAL 44 HG22 VAL 44 1.847 -16.308 0.075 123 3HG2 VAL 44 HG23 VAL 44 1.901 -17.233 1.576 124 H ASP 45 HN ASP 45 0.634 -14.136 3.757 125 HA ASP 45 HA ASP 45 -0.533 -15.003 5.508 126 1HB ASP 45 HB2 ASP 45 -0.765 -16.776 3.563 127 2HB ASP 45 HB1 ASP 45 0.165 -17.782 4.669 128 H ASN 46 HN ASN 46 1.266 -14.181 6.881 129 HA ASN 46 HA ASN 46 2.321 -14.529 8.896 130 1HB ASN 46 HB2 ASN 46 1.207 -17.020 8.558 131 2HB ASN 46 HB1 ASN 46 2.931 -17.373 8.643 132 1HD2 ASN 46 HD21 ASN 46 4.084 -16.765 10.517 133 2HD2 ASN 46 HD22 ASN 46 3.271 -16.521 12.022 134 H LYS 47 HN LYS 47 3.504 -16.134 5.998 135 HA LYS 47 HA LYS 47 6.213 -15.876 6.973 136 1HB LYS 47 HB2 LYS 47 4.950 -17.151 4.582 137 2HB LYS 47 HB1 LYS 47 6.663 -16.758 4.529 138 1HG LYS 47 HG2 LYS 47 7.102 -18.159 6.426 139 2HG LYS 47 HG1 LYS 47 5.378 -18.448 6.662 140 1HD LYS 47 HD2 LYS 47 5.778 -20.317 5.469 141 2HD LYS 47 HD1 LYS 47 5.673 -19.226 4.086 142 1HE LYS 47 HE2 LYS 47 8.074 -18.966 4.059 143 2HE LYS 47 HE1 LYS 47 8.226 -19.933 5.525 144 1HZ LYS 47 HZ1 LYS 47 7.967 -21.846 4.396 145 2HZ LYS 47 HZ2 LYS 47 8.499 -20.928 3.079 146 3HZ LYS 47 HZ3 LYS 47 6.845 -21.199 3.306 147 H LYS 48 HN LYS 48 7.725 -14.449 6.243 148 HA LYS 48 HA LYS 48 6.765 -12.379 4.373 149 1HB LYS 48 HB2 LYS 48 8.217 -10.783 5.570 150 2HB LYS 48 HB1 LYS 48 6.989 -11.473 6.622 151 1HG LYS 48 HG2 LYS 48 9.095 -13.186 6.976 152 2HG LYS 48 HG1 LYS 48 9.895 -11.626 6.777 153 1HD LYS 48 HD2 LYS 48 7.544 -11.565 8.529 154 2HD LYS 48 HD1 LYS 48 8.866 -12.573 9.121 155 1HE LYS 48 HE2 LYS 48 9.571 -9.894 8.072 156 2HE LYS 48 HE1 LYS 48 8.712 -9.953 9.611 157 1HZ LYS 48 HZ1 LYS 48 10.440 -11.010 10.642 158 2HZ LYS 48 HZ2 LYS 48 11.298 -10.060 9.537 159 3HZ LYS 48 HZ3 LYS 48 11.038 -11.700 9.217 160 H LEU 49 HN LEU 49 7.666 -13.078 2.488 161 HA LEU 49 HA LEU 49 10.444 -13.923 2.430 162 1HB LEU 49 HB2 LEU 49 9.974 -14.236 -0.042 163 2HB LEU 49 HB1 LEU 49 9.099 -15.267 1.067 164 HG LEU 49 HG LEU 49 7.863 -14.232 -0.958 165 1HD1 LEU 49 HD11 LEU 49 5.944 -13.681 0.950 166 2HD1 LEU 49 HD12 LEU 49 7.024 -14.823 1.749 167 3HD1 LEU 49 HD13 LEU 49 6.275 -15.247 0.210 168 1HD2 LEU 49 HD21 LEU 49 6.787 -12.069 -0.449 169 2HD2 LEU 49 HD22 LEU 49 8.530 -11.933 -0.671 170 3HD2 LEU 49 HD23 LEU 49 7.843 -11.899 0.952 171 H ALA 50 HN ALA 50 11.532 -13.081 0.194 172 HA ALA 50 HA ALA 50 11.801 -10.207 0.616 173 1HB ALA 50 HB1 ALA 50 13.669 -10.990 -1.293 174 2HB ALA 50 HB2 ALA 50 13.574 -12.344 -0.168 175 3HB ALA 50 HB3 ALA 50 13.953 -10.728 0.427 176 H SER 51 HN SER 51 10.278 -12.350 -1.533 177 HA SER 51 HA SER 51 10.488 -11.149 -4.008 178 1HB SER 51 HB2 SER 51 8.224 -12.628 -2.691 179 2HB SER 51 HB1 SER 51 8.090 -12.020 -4.341 180 HG SER 51 HG SER 51 8.989 -13.884 -4.778 181 H ALA 52 HN ALA 52 7.460 -10.730 -2.225 182 HA ALA 52 HA ALA 52 7.175 -8.141 -3.441 183 1HB ALA 52 HB1 ALA 52 5.068 -8.860 -3.398 184 2HB ALA 52 HB2 ALA 52 5.055 -8.398 -1.694 185 3HB ALA 52 HB3 ALA 52 5.417 -10.062 -2.156 186 H SER 53 HN SER 53 9.209 -8.701 -1.193 187 HA SER 53 HA SER 53 8.265 -6.974 0.935 188 1HB SER 53 HB2 SER 53 9.532 -8.800 1.728 189 2HB SER 53 HB1 SER 53 10.781 -8.569 0.506 190 HG SER 53 HG SER 53 10.204 -6.700 2.559 191 H ALA 54 HN ALA 54 8.088 -4.940 0.079 192 HA ALA 54 HA ALA 54 10.589 -3.711 -0.866 193 1HB ALA 54 HB1 ALA 54 8.727 -3.857 -2.541 194 2HB ALA 54 HB2 ALA 54 9.360 -2.236 -2.239 195 3HB ALA 54 HB3 ALA 54 7.833 -2.737 -1.514 196 H GLN 55 HN GLN 55 11.358 -2.021 0.128 197 HA GLN 55 HA GLN 55 10.022 -1.074 2.530 198 1HB GLN 55 HB2 GLN 55 12.544 -1.790 2.168 199 2HB GLN 55 HB1 GLN 55 12.708 -0.113 1.674 200 1HG GLN 55 HG2 GLN 55 12.585 0.631 3.773 201 2HG GLN 55 HG1 GLN 55 11.238 -0.436 4.168 202 1HE2 GLN 55 HE21 GLN 55 12.440 -0.545 6.226 203 2HE2 GLN 55 HE22 GLN 55 13.681 -1.737 6.382 204 H ASN 56 HN ASN 56 11.782 1.366 2.078 205 HA ASN 56 HA ASN 56 9.786 3.200 1.306 206 1HB ASN 56 HB2 ASN 56 12.780 3.656 1.188 207 2HB ASN 56 HB1 ASN 56 11.526 4.884 1.331 208 1HD2 ASN 56 HD21 ASN 56 13.441 2.549 2.973 209 2HD2 ASN 56 HD22 ASN 56 12.928 2.935 4.577 210 H TYR 57 HN TYR 57 9.057 2.053 -0.611 211 HA TYR 57 HA TYR 57 10.769 2.284 -2.967 212 1HB TYR 57 HB2 TYR 57 9.535 0.165 -2.550 213 2HB TYR 57 HB1 TYR 57 8.018 1.048 -2.677 214 HD1 TYR 57 HD1 TYR 57 7.736 2.410 -4.941 215 HD2 TYR 57 HD2 TYR 57 10.328 -0.921 -4.416 216 HE1 TYR 57 HE1 TYR 57 7.721 2.025 -7.368 217 HE2 TYR 57 HE2 TYR 57 10.322 -1.315 -6.844 218 HH TYR 57 HH TYR 57 8.699 -0.776 -8.792 219 H GLU 58 HN GLU 58 10.768 4.244 -3.841 220 HA GLU 58 HA GLU 58 8.609 6.067 -3.633 221 1HB GLU 58 HB2 GLU 58 10.777 6.177 -5.730 222 2HB GLU 58 HB1 GLU 58 9.864 7.515 -5.046 223 1HG GLU 58 HG2 GLU 58 11.175 7.662 -3.222 224 2HG GLU 58 HG1 GLU 58 11.449 5.923 -3.138 225 H LEU 59 HN LEU 59 6.827 4.916 -4.288 226 HA LEU 59 HA LEU 59 6.663 4.073 -7.077 227 1HB LEU 59 HB2 LEU 59 5.771 2.556 -5.384 228 2HB LEU 59 HB1 LEU 59 4.706 3.811 -4.788 229 HG LEU 59 HG LEU 59 3.333 3.705 -6.746 230 1HD1 LEU 59 HD11 LEU 59 4.094 3.122 -8.755 231 2HD1 LEU 59 HD12 LEU 59 4.526 1.516 -8.173 232 3HD1 LEU 59 HD13 LEU 59 5.679 2.840 -8.038 233 1HD2 LEU 59 HD21 LEU 59 2.605 2.048 -5.345 234 2HD2 LEU 59 HD22 LEU 59 4.082 1.099 -5.518 235 3HD2 LEU 59 HD23 LEU 59 2.908 1.152 -6.832 236 H THR 60 HN THR 60 4.927 4.842 -8.434 237 HA THR 60 HA THR 60 4.104 7.587 -7.733 238 HB THR 60 HB THR 60 3.793 6.838 -10.549 239 HG1 THR 60 HG1 THR 60 5.607 5.662 -10.433 240 1HG2 THR 60 HG21 THR 60 4.634 8.923 -10.997 241 2HG2 THR 60 HG22 THR 60 5.656 8.943 -9.560 242 3HG2 THR 60 HG23 THR 60 3.913 9.167 -9.406 243 H ILE 61 HN ILE 61 1.985 7.558 -7.038 244 HA ILE 61 HA ILE 61 0.251 5.449 -7.992 245 HB ILE 61 HB ILE 61 -1.442 6.624 -6.478 246 1HG1 ILE 61 HG12 ILE 61 1.077 7.904 -5.396 247 2HG1 ILE 61 HG11 ILE 61 -0.142 8.764 -6.331 248 1HG2 ILE 61 HG21 ILE 61 0.699 4.818 -5.986 249 2HG2 ILE 61 HG22 ILE 61 -0.896 4.869 -5.240 250 3HG2 ILE 61 HG23 ILE 61 0.435 5.788 -4.535 251 1HD1 ILE 61 HD11 ILE 61 -0.580 7.424 -3.673 252 2HD1 ILE 61 HD12 ILE 61 -1.793 8.303 -4.602 253 3HD1 ILE 61 HD13 ILE 61 -0.397 9.156 -3.946 254 H GLY 62 HN GLY 62 -0.410 5.745 -9.968 255 1HA GLY 62 HA2 GLY 62 -2.367 6.944 -11.069 256 2HA GLY 62 HA1 GLY 62 -1.418 8.397 -10.758 257 H SER 63 HN SER 63 0.322 5.531 -11.520 258 HA SER 63 HA SER 63 0.995 6.657 -14.139 259 1HB SER 63 HB2 SER 63 2.537 5.365 -12.030 260 2HB SER 63 HB1 SER 63 2.828 4.637 -13.610 261 HG SER 63 HG SER 63 3.995 6.312 -14.053 262 H ASN 64 HN ASN 64 -0.446 3.941 -12.565 263 HA ASN 64 HA ASN 64 -1.692 2.237 -13.424 264 1HB ASN 64 HB2 ASN 64 -1.611 3.971 -15.567 265 2HB ASN 64 HB1 ASN 64 -0.952 2.485 -16.245 266 1HD2 ASN 64 HD21 ASN 64 -2.231 0.570 -16.128 267 2HD2 ASN 64 HD22 ASN 64 -3.953 0.677 -16.047 268 H SER 65 HN SER 65 1.248 2.187 -12.811 269 HA SER 65 HA SER 65 2.129 -0.025 -14.511 270 1HB SER 65 HB2 SER 65 3.536 2.091 -13.608 271 2HB SER 65 HB1 SER 65 3.871 0.943 -12.313 272 HG SER 65 HG SER 65 5.259 0.090 -13.622 273 H PHE 66 HN PHE 66 0.910 0.608 -11.340 274 HA PHE 66 HA PHE 66 1.695 -2.048 -10.400 275 1HB PHE 66 HB2 PHE 66 1.224 0.470 -9.129 276 2HB PHE 66 HB1 PHE 66 0.100 -0.711 -8.466 277 HD1 PHE 66 HD1 PHE 66 3.691 -0.082 -9.124 278 HD2 PHE 66 HD2 PHE 66 0.813 -2.299 -6.908 279 HE1 PHE 66 HE1 PHE 66 5.485 -0.977 -7.696 280 HE2 PHE 66 HE2 PHE 66 2.600 -3.197 -5.476 281 HZ PHE 66 HZ PHE 66 4.940 -2.536 -5.869 282 H ILE 67 HN ILE 67 0.116 -3.505 -9.506 283 HA ILE 67 HA ILE 67 -2.070 -3.984 -11.159 284 HB ILE 67 HB ILE 67 -2.860 -5.554 -9.401 285 1HG1 ILE 67 HG12 ILE 67 -0.528 -4.406 -7.851 286 2HG1 ILE 67 HG11 ILE 67 -2.231 -4.294 -7.417 287 1HG2 ILE 67 HG21 ILE 67 -1.226 -6.267 -11.050 288 2HG2 ILE 67 HG22 ILE 67 -0.903 -7.029 -9.493 289 3HG2 ILE 67 HG23 ILE 67 0.086 -5.672 -10.032 290 1HD1 ILE 67 HD11 ILE 67 -1.405 -7.040 -7.773 291 2HD1 ILE 67 HD12 ILE 67 -2.175 -6.259 -6.392 292 3HD1 ILE 67 HD13 ILE 67 -0.421 -6.206 -6.570 293 H LYS 68 HN LYS 68 -4.376 -4.077 -10.524 294 HA LYS 68 HA LYS 68 -5.209 -1.515 -9.507 295 1HB LYS 68 HB2 LYS 68 -6.486 -3.792 -10.905 296 2HB LYS 68 HB1 LYS 68 -7.535 -2.843 -9.861 297 1HG LYS 68 HG2 LYS 68 -7.653 -1.196 -11.341 298 2HG LYS 68 HG1 LYS 68 -5.898 -1.136 -11.514 299 1HD LYS 68 HD2 LYS 68 -5.915 -2.393 -13.386 300 2HD LYS 68 HD1 LYS 68 -7.202 -3.444 -12.790 301 1HE LYS 68 HE2 LYS 68 -7.954 -0.659 -13.441 302 2HE LYS 68 HE1 LYS 68 -7.534 -1.700 -14.800 303 1HZ LYS 68 HZ1 LYS 68 -9.897 -1.784 -14.329 304 2HZ LYS 68 HZ2 LYS 68 -9.595 -2.286 -12.742 305 3HZ LYS 68 HZ3 LYS 68 -9.189 -3.293 -14.039 306 H GLY 69 HN GLY 69 -5.482 -1.106 -7.415 307 1HA GLY 69 HA2 GLY 69 -6.891 -1.642 -5.460 308 2HA GLY 69 HA1 GLY 69 -6.394 -3.315 -5.677 309 H PHE 70 HN PHE 70 -3.634 -2.424 -6.363 310 HA PHE 70 HA PHE 70 -2.604 -2.423 -3.679 311 1HB PHE 70 HB2 PHE 70 -1.616 -3.715 -5.602 312 2HB PHE 70 HB1 PHE 70 -1.064 -2.186 -6.271 313 HD1 PHE 70 HD1 PHE 70 0.382 -0.719 -4.656 314 HD2 PHE 70 HD2 PHE 70 -0.225 -4.908 -4.228 315 HE1 PHE 70 HE1 PHE 70 2.432 -0.877 -3.310 316 HE2 PHE 70 HE2 PHE 70 1.826 -5.069 -2.878 317 HZ PHE 70 HZ PHE 70 3.154 -3.052 -2.419 318 H GLU 71 HN GLU 71 -1.403 -0.413 -6.353 319 HA GLU 71 HA GLU 71 -0.370 1.666 -4.919 320 1HB GLU 71 HB2 GLU 71 -1.356 1.294 -7.651 321 2HB GLU 71 HB1 GLU 71 -1.437 2.964 -7.107 322 1HG GLU 71 HG2 GLU 71 0.970 2.769 -6.447 323 2HG GLU 71 HG1 GLU 71 0.989 1.198 -7.247 324 H THR 72 HN THR 72 -3.738 1.157 -5.824 325 HA THR 72 HA THR 72 -4.718 3.684 -5.048 326 HB THR 72 HB THR 72 -6.911 2.156 -4.825 327 HG1 THR 72 HG1 THR 72 -6.071 0.177 -5.092 328 1HG2 THR 72 HG21 THR 72 -5.942 2.381 -7.604 329 2HG2 THR 72 HG22 THR 72 -6.074 3.872 -6.672 330 3HG2 THR 72 HG23 THR 72 -7.489 2.843 -6.895 331 H GLY 73 HN GLY 73 -4.874 0.547 -3.335 332 1HA GLY 73 HA2 GLY 73 -6.206 1.374 -1.058 333 2HA GLY 73 HA1 GLY 73 -5.020 0.080 -1.084 334 H LEU 74 HN LEU 74 -2.948 2.078 -1.979 335 HA LEU 74 HA LEU 74 -2.202 2.924 0.704 336 1HB LEU 74 HB2 LEU 74 -0.746 2.946 -1.939 337 2HB LEU 74 HB1 LEU 74 -0.064 3.620 -0.474 338 HG LEU 74 HG LEU 74 0.891 1.495 -0.622 339 1HD1 LEU 74 HD11 LEU 74 -1.414 1.568 1.267 340 2HD1 LEU 74 HD12 LEU 74 0.315 1.578 1.596 341 3HD1 LEU 74 HD13 LEU 74 -0.482 0.087 1.098 342 1HD2 LEU 74 HD21 LEU 74 -1.835 0.393 -1.275 343 2HD2 LEU 74 HD22 LEU 74 -0.348 -0.543 -1.121 344 3HD2 LEU 74 HD23 LEU 74 -0.515 0.641 -2.418 345 H ILE 75 HN ILE 75 -3.283 4.316 -2.307 346 HA ILE 75 HA ILE 75 -2.573 6.999 -1.697 347 HB ILE 75 HB ILE 75 -3.768 7.692 -3.584 348 1HG1 ILE 75 HG12 ILE 75 -5.253 5.168 -4.067 349 2HG1 ILE 75 HG11 ILE 75 -5.857 6.189 -2.772 350 1HG2 ILE 75 HG21 ILE 75 -2.557 6.609 -5.086 351 2HG2 ILE 75 HG22 ILE 75 -3.357 5.076 -4.760 352 3HG2 ILE 75 HG23 ILE 75 -2.009 5.599 -3.750 353 1HD1 ILE 75 HD11 ILE 75 -6.332 7.946 -4.220 354 2HD1 ILE 75 HD12 ILE 75 -6.836 6.502 -5.098 355 3HD1 ILE 75 HD13 ILE 75 -5.309 7.288 -5.498 356 H ALA 76 HN ALA 76 -5.301 5.030 -0.843 357 HA ALA 76 HA ALA 76 -7.025 7.202 -0.157 358 1HB ALA 76 HB1 ALA 76 -7.129 4.252 0.040 359 2HB ALA 76 HB2 ALA 76 -8.312 5.394 -0.596 360 3HB ALA 76 HB3 ALA 76 -8.155 5.165 1.146 361 H MET 77 HN MET 77 -4.350 5.815 1.433 362 HA MET 77 HA MET 77 -5.341 6.787 4.036 363 1HB MET 77 HB2 MET 77 -3.160 4.805 3.376 364 2HB MET 77 HB1 MET 77 -3.418 5.450 4.991 365 1HG MET 77 HG2 MET 77 -5.869 4.419 3.870 366 2HG MET 77 HG1 MET 77 -4.596 3.201 3.869 367 1HE MET 77 HE1 MET 77 -5.311 5.587 7.686 368 2HE MET 77 HE2 MET 77 -6.627 5.695 6.517 369 3HE MET 77 HE3 MET 77 -5.000 6.204 6.063 370 H LYS 78 HN LYS 78 -3.766 7.840 5.465 371 HA LYS 78 HA LYS 78 -2.464 9.986 4.101 372 1HB LYS 78 HB2 LYS 78 -3.568 9.797 6.533 373 2HB LYS 78 HB1 LYS 78 -1.901 9.465 6.979 374 1HG LYS 78 HG2 LYS 78 -1.237 11.586 6.609 375 2HG LYS 78 HG1 LYS 78 -2.321 11.802 5.234 376 1HD LYS 78 HD2 LYS 78 -3.986 12.615 6.517 377 2HD LYS 78 HD1 LYS 78 -3.644 11.506 7.845 378 1HE LYS 78 HE2 LYS 78 -2.278 12.968 8.883 379 2HE LYS 78 HE1 LYS 78 -1.592 13.557 7.369 380 1HZ LYS 78 HZ1 LYS 78 -3.461 14.966 7.039 381 2HZ LYS 78 HZ2 LYS 78 -2.918 15.223 8.620 382 3HZ LYS 78 HZ3 LYS 78 -4.299 14.286 8.342 383 H VAL 79 HN VAL 79 -0.108 10.371 5.692 384 HA VAL 79 HA VAL 79 1.571 8.300 4.504 385 HB VAL 79 HB VAL 79 2.217 11.078 5.512 386 1HG1 VAL 79 HG11 VAL 79 4.006 8.942 4.391 387 2HG1 VAL 79 HG12 VAL 79 4.146 9.773 5.938 388 3HG1 VAL 79 HG13 VAL 79 4.454 10.645 4.436 389 1HG2 VAL 79 HG21 VAL 79 2.879 11.239 2.988 390 2HG2 VAL 79 HG22 VAL 79 1.196 11.424 3.481 391 3HG2 VAL 79 HG23 VAL 79 1.756 9.890 2.815 392 H ASN 80 HN ASN 80 3.448 7.574 5.760 393 HA ASN 80 HA ASN 80 4.432 6.665 7.595 394 1HB ASN 80 HB2 ASN 80 3.998 9.232 8.310 395 2HB ASN 80 HB1 ASN 80 3.035 8.412 9.535 396 1HD2 ASN 80 HD21 ASN 80 4.405 6.226 10.151 397 2HD2 ASN 80 HD22 ASN 80 5.974 6.615 10.762 398 H GLN 81 HN GLN 81 1.615 5.974 6.683 399 HA GLN 81 HA GLN 81 0.580 4.821 9.181 400 1HB GLN 81 HB2 GLN 81 -0.671 5.410 6.514 401 2HB GLN 81 HB1 GLN 81 -1.427 4.290 7.639 402 1HG GLN 81 HG2 GLN 81 -0.658 7.051 8.495 403 2HG GLN 81 HG1 GLN 81 -2.173 6.744 7.647 404 1HE2 GLN 81 HE21 GLN 81 -0.477 6.539 10.607 405 2HE2 GLN 81 HE22 GLN 81 -1.753 5.865 11.557 406 H LYS 82 HN LYS 82 0.955 2.749 9.605 407 HA LYS 82 HA LYS 82 2.000 1.017 7.518 408 1HB LYS 82 HB2 LYS 82 2.997 1.145 9.836 409 2HB LYS 82 HB1 LYS 82 1.547 0.344 10.426 410 1HG LYS 82 HG2 LYS 82 2.177 -1.669 9.642 411 2HG LYS 82 HG1 LYS 82 2.912 -0.992 8.187 412 1HD LYS 82 HD2 LYS 82 4.702 -1.875 9.435 413 2HD LYS 82 HD1 LYS 82 4.761 -0.133 9.709 414 1HE LYS 82 HE2 LYS 82 5.099 -1.364 11.789 415 2HE LYS 82 HE1 LYS 82 3.610 -0.421 11.841 416 1HZ LYS 82 HZ1 LYS 82 3.351 -3.158 10.901 417 2HZ LYS 82 HZ2 LYS 82 2.343 -2.264 11.923 418 3HZ LYS 82 HZ3 LYS 82 3.748 -2.979 12.536 419 H LYS 83 HN LYS 83 0.263 0.557 6.214 420 HA LYS 83 HA LYS 83 -2.093 -0.660 7.445 421 1HB LYS 83 HB2 LYS 83 -1.729 1.070 5.267 422 2HB LYS 83 HB1 LYS 83 -2.228 -0.464 4.569 423 1HG LYS 83 HG2 LYS 83 -3.839 0.185 6.867 424 2HG LYS 83 HG1 LYS 83 -3.857 1.498 5.688 425 1HD LYS 83 HD2 LYS 83 -4.630 0.050 3.965 426 2HD LYS 83 HD1 LYS 83 -4.347 -1.382 4.956 427 1HE LYS 83 HE2 LYS 83 -6.309 -1.175 6.017 428 2HE LYS 83 HE1 LYS 83 -6.127 0.568 6.203 429 1HZ LYS 83 HZ1 LYS 83 -7.694 0.756 4.663 430 2HZ LYS 83 HZ2 LYS 83 -7.640 -0.890 4.281 431 3HZ LYS 83 HZ3 LYS 83 -6.578 0.188 3.526 432 H THR 84 HN THR 84 -1.657 -2.764 7.894 433 HA THR 84 HA THR 84 -0.245 -4.427 5.984 434 HB THR 84 HB THR 84 -1.586 -5.313 8.537 435 HG1 THR 84 HG1 THR 84 0.434 -4.934 9.518 436 1HG2 THR 84 HG21 THR 84 -0.698 -7.026 6.883 437 2HG2 THR 84 HG22 THR 84 -0.130 -7.135 8.549 438 3HG2 THR 84 HG23 THR 84 0.906 -6.428 7.309 439 H LEU 85 HN LEU 85 -1.850 -4.128 4.285 440 HA LEU 85 HA LEU 85 -4.431 -5.409 4.676 441 1HB LEU 85 HB2 LEU 85 -4.206 -3.262 3.451 442 2HB LEU 85 HB1 LEU 85 -3.277 -4.094 2.219 443 HG LEU 85 HG LEU 85 -5.966 -5.190 2.816 444 1HD1 LEU 85 HD11 LEU 85 -6.409 -2.795 2.839 445 2HD1 LEU 85 HD12 LEU 85 -7.057 -3.538 1.377 446 3HD1 LEU 85 HD13 LEU 85 -5.558 -2.611 1.305 447 1HD2 LEU 85 HD21 LEU 85 -4.512 -4.630 0.236 448 2HD2 LEU 85 HD22 LEU 85 -5.969 -5.602 0.442 449 3HD2 LEU 85 HD23 LEU 85 -4.439 -6.151 1.125 450 H ALA 86 HN ALA 86 -5.037 -7.341 3.850 451 HA ALA 86 HA ALA 86 -2.962 -9.040 2.729 452 1HB ALA 86 HB1 ALA 86 -4.057 -10.379 4.180 453 2HB ALA 86 HB2 ALA 86 -5.139 -10.633 2.810 454 3HB ALA 86 HB3 ALA 86 -5.557 -9.460 4.059 455 H LEU 87 HN LEU 87 -2.745 -8.037 0.680 456 HA LEU 87 HA LEU 87 -5.046 -7.990 -1.085 457 1HB LEU 87 HB2 LEU 87 -3.131 -6.237 -0.883 458 2HB LEU 87 HB1 LEU 87 -2.268 -7.334 -1.943 459 HG LEU 87 HG LEU 87 -3.945 -7.082 -3.666 460 1HD1 LEU 87 HD11 LEU 87 -6.029 -6.751 -2.904 461 2HD1 LEU 87 HD12 LEU 87 -5.603 -5.043 -3.002 462 3HD1 LEU 87 HD13 LEU 87 -5.479 -5.895 -1.464 463 1HD2 LEU 87 HD21 LEU 87 -2.122 -5.222 -2.990 464 2HD2 LEU 87 HD22 LEU 87 -3.594 -4.252 -2.924 465 3HD2 LEU 87 HD23 LEU 87 -3.164 -5.102 -4.408 466 H THR 88 HN THR 88 -5.126 -9.001 -3.115 467 HA THR 88 HA THR 88 -3.800 -11.599 -3.176 468 HB THR 88 HB THR 88 -5.705 -10.700 -5.297 469 HG1 THR 88 HG1 THR 88 -7.443 -10.986 -3.993 470 1HG2 THR 88 HG21 THR 88 -6.536 -13.131 -4.427 471 2HG2 THR 88 HG22 THR 88 -4.796 -13.232 -4.157 472 3HG2 THR 88 HG23 THR 88 -5.420 -12.862 -5.765 473 H PHE 89 HN PHE 89 -3.284 -12.279 -5.588 474 HA PHE 89 HA PHE 89 -1.700 -10.102 -6.784 475 1HB PHE 89 HB2 PHE 89 -0.936 -12.857 -6.015 476 2HB PHE 89 HB1 PHE 89 -0.339 -12.301 -7.564 477 HD1 PHE 89 HD1 PHE 89 0.529 -12.627 -4.278 478 HD2 PHE 89 HD2 PHE 89 0.565 -9.726 -7.389 479 HE1 PHE 89 HE1 PHE 89 2.374 -11.458 -3.156 480 HE2 PHE 89 HE2 PHE 89 2.411 -8.548 -6.266 481 HZ PHE 89 HZ PHE 89 3.319 -9.416 -4.150 482 HA PRO 90 HA PRO 90 -4.415 -11.319 -10.179 483 1HB PRO 90 HB2 PRO 90 -4.098 -9.107 -11.657 484 2HB PRO 90 HB1 PRO 90 -5.068 -9.100 -10.178 485 1HG PRO 90 HG2 PRO 90 -2.242 -8.187 -10.593 486 2HG PRO 90 HG1 PRO 90 -3.555 -7.388 -9.706 487 1HD PRO 90 HD2 PRO 90 -1.607 -8.861 -8.492 488 2HD PRO 90 HD1 PRO 90 -3.246 -8.685 -7.835 489 H SER 91 HN SER 91 -4.166 -11.665 -12.484 490 HA SER 91 HA SER 91 -1.767 -12.924 -13.176 491 1HB SER 91 HB2 SER 91 -2.793 -12.666 -15.583 492 2HB SER 91 HB1 SER 91 -3.576 -13.708 -14.395 493 HG SER 91 HG SER 91 -4.453 -11.375 -15.534 494 H ASP 92 HN ASP 92 -2.926 -9.677 -13.709 495 HA ASP 92 HA ASP 92 -1.343 -8.695 -15.686 496 1HB ASP 92 HB2 ASP 92 -2.102 -7.362 -13.085 497 2HB ASP 92 HB1 ASP 92 -1.386 -6.508 -14.449 498 H TYR 93 HN TYR 93 -0.312 -9.506 -12.423 499 HA TYR 93 HA TYR 93 2.083 -8.156 -12.267 500 1HB TYR 93 HB2 TYR 93 0.835 -10.124 -10.769 501 2HB TYR 93 HB1 TYR 93 2.364 -10.861 -11.247 502 HD1 TYR 93 HD1 TYR 93 0.899 -7.859 -9.627 503 HD2 TYR 93 HD2 TYR 93 4.377 -10.242 -10.194 504 HE1 TYR 93 HE1 TYR 93 2.062 -6.561 -7.894 505 HE2 TYR 93 HE2 TYR 93 5.549 -8.953 -8.458 506 HH TYR 93 HH TYR 93 5.372 -6.645 -7.444 507 H HIS 94 HN HIS 94 4.130 -8.428 -12.954 508 HA HIS 94 HA HIS 94 4.586 -9.598 -15.442 509 1HB HIS 94 HB2 HIS 94 5.931 -7.832 -13.884 510 2HB HIS 94 HB1 HIS 94 6.949 -9.257 -13.704 511 HD1 HIS 94 HD1 HIS 94 7.388 -10.418 -16.281 512 HD2 HIS 94 HD2 HIS 94 6.782 -6.321 -15.940 513 HE1 HIS 94 HE1 HIS 94 8.359 -9.418 -18.374 514 HE2 HIS 94 HE2 HIS 94 8.066 -6.930 -18.101 515 H VAL 95 HN VAL 95 4.760 -10.987 -12.262 516 HA VAL 95 HA VAL 95 6.223 -13.298 -13.287 517 HB VAL 95 HB VAL 95 6.960 -12.317 -11.150 518 1HG1 VAL 95 HG11 VAL 95 4.885 -13.488 -9.525 519 2HG1 VAL 95 HG12 VAL 95 4.248 -12.237 -10.600 520 3HG1 VAL 95 HG13 VAL 95 5.569 -11.861 -9.494 521 1HG2 VAL 95 HG21 VAL 95 5.883 -15.079 -10.666 522 2HG2 VAL 95 HG22 VAL 95 7.394 -14.370 -10.097 523 3HG2 VAL 95 HG23 VAL 95 7.196 -14.773 -11.802 524 H LYS 96 HN LYS 96 5.344 -15.165 -13.664 525 HA LYS 96 HA LYS 96 2.618 -15.561 -14.033 526 1HB LYS 96 HB2 LYS 96 4.833 -17.569 -13.633 527 2HB LYS 96 HB1 LYS 96 3.193 -18.028 -14.071 528 1HG LYS 96 HG2 LYS 96 4.409 -15.959 -15.767 529 2HG LYS 96 HG1 LYS 96 5.168 -17.550 -15.845 530 1HD LYS 96 HD2 LYS 96 2.747 -18.427 -16.108 531 2HD LYS 96 HD1 LYS 96 2.361 -16.758 -16.530 532 1HE LYS 96 HE2 LYS 96 4.352 -16.982 -18.177 533 2HE LYS 96 HE1 LYS 96 4.115 -18.716 -17.960 534 1HZ LYS 96 HZ1 LYS 96 2.164 -18.682 -19.074 535 2HZ LYS 96 HZ2 LYS 96 2.859 -17.331 -19.816 536 3HZ LYS 96 HZ3 LYS 96 1.747 -17.125 -18.559 537 H GLU 97 HN GLU 97 4.627 -16.450 -11.273 538 HA GLU 97 HA GLU 97 2.759 -17.910 -9.833 539 1HB GLU 97 HB2 GLU 97 5.165 -17.802 -9.309 540 2HB GLU 97 HB1 GLU 97 4.944 -16.161 -8.719 541 1HG GLU 97 HG2 GLU 97 5.048 -17.802 -6.907 542 2HG GLU 97 HG1 GLU 97 3.507 -16.946 -6.949 543 H LEU 98 HN LEU 98 3.390 -14.416 -9.693 544 HA LEU 98 HA LEU 98 1.339 -14.055 -7.712 545 1HB LEU 98 HB2 LEU 98 3.167 -12.192 -9.156 546 2HB LEU 98 HB1 LEU 98 1.790 -11.564 -8.288 547 HG LEU 98 HG LEU 98 2.816 -11.745 -6.327 548 1HD1 LEU 98 HD11 LEU 98 2.381 -14.060 -6.050 549 2HD1 LEU 98 HD12 LEU 98 4.066 -13.788 -5.597 550 3HD1 LEU 98 HD13 LEU 98 3.678 -14.498 -7.165 551 1HD2 LEU 98 HD21 LEU 98 5.341 -12.645 -7.645 552 2HD2 LEU 98 HD22 LEU 98 5.115 -11.477 -6.338 553 3HD2 LEU 98 HD23 LEU 98 4.670 -11.053 -7.992 554 H GLN 99 HN GLN 99 0.580 -15.218 -10.236 555 HA GLN 99 HA GLN 99 -1.103 -13.214 -11.467 556 1HB GLN 99 HB2 GLN 99 -0.639 -16.155 -11.969 557 2HB GLN 99 HB1 GLN 99 -1.947 -15.282 -12.754 558 1HG GLN 99 HG2 GLN 99 -0.196 -13.683 -13.620 559 2HG GLN 99 HG1 GLN 99 1.008 -14.828 -13.040 560 1HE2 GLN 99 HE21 GLN 99 -0.345 -17.202 -13.649 561 2HE2 GLN 99 HE22 GLN 99 -0.414 -17.366 -15.367 562 H SER 100 HN SER 100 -1.236 -15.943 -9.270 563 HA SER 100 HA SER 100 -3.909 -15.088 -8.405 564 1HB SER 100 HB2 SER 100 -3.216 -17.692 -9.630 565 2HB SER 100 HB1 SER 100 -4.215 -17.769 -8.178 566 HG SER 100 HG SER 100 -4.817 -16.063 -10.354 567 H LYS 101 HN LYS 101 -1.860 -14.346 -6.900 568 HA LYS 101 HA LYS 101 -1.666 -16.394 -4.790 569 1HB LYS 101 HB2 LYS 101 0.409 -15.305 -6.222 570 2HB LYS 101 HB1 LYS 101 0.427 -14.371 -4.735 571 1HG LYS 101 HG2 LYS 101 0.349 -17.368 -4.734 572 2HG LYS 101 HG1 LYS 101 1.859 -16.458 -4.804 573 1HD LYS 101 HD2 LYS 101 1.656 -15.690 -2.660 574 2HD LYS 101 HD1 LYS 101 -0.108 -15.736 -2.696 575 1HE LYS 101 HE2 LYS 101 0.445 -18.364 -2.926 576 2HE LYS 101 HE1 LYS 101 1.835 -17.836 -1.978 577 1HZ LYS 101 HZ1 LYS 101 -0.022 -16.647 -0.597 578 2HZ LYS 101 HZ2 LYS 101 0.342 -18.277 -0.333 579 3HZ LYS 101 HZ3 LYS 101 -1.006 -17.852 -1.262 580 HA PRO 102 HA PRO 102 -3.758 -13.109 -2.423 581 1HB PRO 102 HB2 PRO 102 -4.516 -14.701 -0.378 582 2HB PRO 102 HB1 PRO 102 -5.389 -14.672 -1.915 583 1HG PRO 102 HG2 PRO 102 -3.338 -16.626 -0.941 584 2HG PRO 102 HG1 PRO 102 -4.877 -16.940 -1.766 585 1HD PRO 102 HD2 PRO 102 -2.497 -16.959 -3.063 586 2HD PRO 102 HD1 PRO 102 -4.008 -16.452 -3.843 587 H VAL 103 HN VAL 103 -1.873 -11.972 -1.877 588 HA VAL 103 HA VAL 103 -0.174 -13.081 0.239 589 HB VAL 103 HB VAL 103 0.824 -12.253 -1.895 590 1HG1 VAL 103 HG11 VAL 103 -0.015 -9.562 -0.818 591 2HG1 VAL 103 HG12 VAL 103 -0.609 -10.337 -2.286 592 3HG1 VAL 103 HG13 VAL 103 1.074 -9.821 -2.181 593 1HG2 VAL 103 HG21 VAL 103 2.753 -11.521 -0.869 594 2HG2 VAL 103 HG22 VAL 103 1.927 -12.327 0.465 595 3HG2 VAL 103 HG23 VAL 103 1.881 -10.569 0.333 596 H THR 104 HN THR 104 0.684 -11.639 1.868 597 HA THR 104 HA THR 104 -1.309 -9.729 2.859 598 HB THR 104 HB THR 104 0.822 -10.496 4.706 599 HG1 THR 104 HG1 THR 104 -1.051 -12.475 3.933 600 1HG2 THR 104 HG21 THR 104 -1.858 -11.218 5.482 601 2HG2 THR 104 HG22 THR 104 -1.766 -9.551 4.912 602 3HG2 THR 104 HG23 THR 104 -0.726 -10.091 6.231 603 H PHE 105 HN PHE 105 -0.799 -7.762 2.150 604 HA PHE 105 HA PHE 105 2.005 -7.020 1.859 605 1HB PHE 105 HB2 PHE 105 -0.586 -5.765 0.990 606 2HB PHE 105 HB1 PHE 105 0.924 -4.870 0.936 607 HD1 PHE 105 HD1 PHE 105 2.706 -7.200 0.091 608 HD2 PHE 105 HD2 PHE 105 -1.075 -5.816 -1.284 609 HE1 PHE 105 HE1 PHE 105 3.175 -8.131 -2.138 610 HE2 PHE 105 HE2 PHE 105 -0.613 -6.746 -3.511 611 HZ PHE 105 HZ PHE 105 1.513 -7.900 -3.941 612 H GLU 106 HN GLU 106 3.053 -6.018 3.409 613 HA GLU 106 HA GLU 106 1.568 -4.472 5.422 614 1HB GLU 106 HB2 GLU 106 2.990 -5.917 6.596 615 2HB GLU 106 HB1 GLU 106 4.255 -5.817 5.381 616 1HG GLU 106 HG2 GLU 106 5.089 -3.841 6.211 617 2HG GLU 106 HG1 GLU 106 3.563 -3.395 6.973 618 H VAL 107 HN VAL 107 1.169 -2.733 3.971 619 HA VAL 107 HA VAL 107 3.466 -1.392 2.807 620 HB VAL 107 HB VAL 107 0.815 -0.136 2.510 621 1HG1 VAL 107 HG11 VAL 107 2.062 -0.735 0.058 622 2HG1 VAL 107 HG12 VAL 107 3.339 -0.260 1.181 623 3HG1 VAL 107 HG13 VAL 107 1.976 0.819 0.886 624 1HG2 VAL 107 HG21 VAL 107 -0.095 -2.261 2.298 625 2HG2 VAL 107 HG22 VAL 107 1.379 -2.936 1.608 626 3HG2 VAL 107 HG23 VAL 107 0.356 -1.878 0.638 627 H VAL 108 HN VAL 108 4.566 -0.004 4.003 628 HA VAL 108 HA VAL 108 3.286 1.481 6.129 629 HB VAL 108 HB VAL 108 6.004 0.748 5.298 630 1HG1 VAL 108 HG11 VAL 108 6.583 2.983 5.080 631 2HG1 VAL 108 HG12 VAL 108 6.904 2.702 6.790 632 3HG1 VAL 108 HG13 VAL 108 5.419 3.513 6.294 633 1HG2 VAL 108 HG21 VAL 108 4.389 0.287 7.451 634 2HG2 VAL 108 HG22 VAL 108 5.515 1.488 8.082 635 3HG2 VAL 108 HG23 VAL 108 6.126 -0.016 7.393 636 H LEU 109 HN LEU 109 1.921 2.823 5.025 637 HA LEU 109 HA LEU 109 2.229 4.165 2.704 638 1HB LEU 109 HB2 LEU 109 0.304 4.001 4.511 639 2HB LEU 109 HB1 LEU 109 0.845 5.636 4.848 640 HG LEU 109 HG LEU 109 -0.967 5.735 3.279 641 1HD1 LEU 109 HD11 LEU 109 1.205 7.137 2.981 642 2HD1 LEU 109 HD12 LEU 109 -0.031 7.157 1.725 643 3HD1 LEU 109 HD13 LEU 109 1.411 6.162 1.527 644 1HD2 LEU 109 HD21 LEU 109 0.500 3.516 2.014 645 2HD2 LEU 109 HD22 LEU 109 -0.263 4.672 0.924 646 3HD2 LEU 109 HD23 LEU 109 -1.234 3.820 2.123 647 H LYS 110 HN LYS 110 4.575 4.877 2.719 648 HA LYS 110 HA LYS 110 4.829 7.506 4.025 649 1HB LYS 110 HB2 LYS 110 6.748 5.354 3.411 650 2HB LYS 110 HB1 LYS 110 7.304 6.967 2.987 651 1HG LYS 110 HG2 LYS 110 6.322 7.383 5.483 652 2HG LYS 110 HG1 LYS 110 6.919 5.728 5.612 653 1HD LYS 110 HD2 LYS 110 8.775 7.495 4.226 654 2HD LYS 110 HD1 LYS 110 8.422 8.027 5.871 655 1HE LYS 110 HE2 LYS 110 9.434 5.316 5.024 656 2HE LYS 110 HE1 LYS 110 10.340 6.558 5.887 657 1HZ LYS 110 HZ1 LYS 110 9.695 5.327 7.648 658 2HZ LYS 110 HZ2 LYS 110 8.325 4.704 6.876 659 3HZ LYS 110 HZ3 LYS 110 8.291 6.263 7.530 660 H ALA 111 HN ALA 111 4.683 9.284 2.594 661 HA ALA 111 HA ALA 111 4.971 8.596 -0.252 662 1HB ALA 111 HB1 ALA 111 2.626 8.643 0.378 663 2HB ALA 111 HB2 ALA 111 3.031 9.876 -0.817 664 3HB ALA 111 HB3 ALA 111 2.800 10.328 0.873 665 H ILE 112 HN ILE 112 6.096 9.790 -1.468 666 HA ILE 112 HA ILE 112 6.921 12.496 -0.630 667 HB ILE 112 HB ILE 112 8.289 10.505 -2.439 668 1HG1 ILE 112 HG12 ILE 112 9.415 11.742 0.056 669 2HG1 ILE 112 HG11 ILE 112 8.356 10.340 0.157 670 1HG2 ILE 112 HG21 ILE 112 8.507 13.382 -2.329 671 2HG2 ILE 112 HG22 ILE 112 9.254 12.239 -3.446 672 3HG2 ILE 112 HG23 ILE 112 10.037 12.611 -1.910 673 1HD1 ILE 112 HD11 ILE 112 11.019 10.532 -1.218 674 2HD1 ILE 112 HD12 ILE 112 9.924 9.161 -1.393 675 3HD1 ILE 112 HD13 ILE 112 10.593 9.559 0.190 676 H LYS 113 HN LYS 113 6.337 14.222 -2.079 677 HA LYS 113 HA LYS 113 4.919 13.377 -4.488 678 1HB LYS 113 HB2 LYS 113 4.023 15.684 -4.504 679 2HB LYS 113 HB1 LYS 113 3.665 14.832 -3.009 680 1HG LYS 113 HG2 LYS 113 5.060 16.150 -1.759 681 2HG LYS 113 HG1 LYS 113 6.094 16.547 -3.134 682 1HD LYS 113 HD2 LYS 113 4.727 18.235 -3.849 683 2HD LYS 113 HD1 LYS 113 3.272 17.478 -3.198 684 1HE LYS 113 HE2 LYS 113 4.265 17.988 -0.895 685 2HE LYS 113 HE1 LYS 113 5.377 19.056 -1.749 686 1HZ LYS 113 HZ1 LYS 113 2.556 19.389 -1.192 687 2HZ LYS 113 HZ2 LYS 113 3.024 19.827 -2.757 688 3HZ LYS 113 HZ3 LYS 113 3.761 20.555 -1.420 Start of MODEL 3 1 H LYS 29 HN LYS 29 -5.946 11.158 7.223 2 HA LYS 29 HA LYS 29 -6.040 8.389 6.227 3 1HB LYS 29 HB2 LYS 29 -8.232 10.174 6.591 4 2HB LYS 29 HB1 LYS 29 -7.996 9.951 4.863 5 1HG LYS 29 HG2 LYS 29 -8.883 7.921 4.927 6 2HG LYS 29 HG1 LYS 29 -7.829 7.433 6.256 7 1HD LYS 29 HD2 LYS 29 -9.849 7.253 7.302 8 2HD LYS 29 HD1 LYS 29 -9.503 8.949 7.646 9 1HE LYS 29 HE2 LYS 29 -10.748 9.382 5.406 10 2HE LYS 29 HE1 LYS 29 -11.403 7.765 5.662 11 1HZ LYS 29 HZ1 LYS 29 -12.533 9.959 6.625 12 2HZ LYS 29 HZ2 LYS 29 -11.530 9.578 7.932 13 3HZ LYS 29 HZ3 LYS 29 -12.664 8.451 7.382 14 H LEU 30 HN LEU 30 -4.189 8.474 5.013 15 HA LEU 30 HA LEU 30 -3.732 10.693 3.193 16 1HB LEU 30 HB2 LEU 30 -1.869 9.589 4.429 17 2HB LEU 30 HB1 LEU 30 -2.177 8.123 3.516 18 HG LEU 30 HG LEU 30 -1.830 9.820 1.469 19 1HD1 LEU 30 HD11 LEU 30 -1.251 11.822 2.347 20 2HD1 LEU 30 HD12 LEU 30 0.349 11.080 2.366 21 3HD1 LEU 30 HD13 LEU 30 -0.624 11.114 3.836 22 1HD2 LEU 30 HD21 LEU 30 0.569 9.073 1.480 23 2HD2 LEU 30 HD22 LEU 30 -0.622 7.783 1.648 24 3HD2 LEU 30 HD23 LEU 30 0.263 8.357 3.062 25 H ALA 31 HN ALA 31 -5.533 10.485 1.802 26 HA ALA 31 HA ALA 31 -5.978 8.009 0.417 27 1HB ALA 31 HB1 ALA 31 -7.453 9.969 -0.887 28 2HB ALA 31 HB2 ALA 31 -7.405 10.479 0.800 29 3HB ALA 31 HB3 ALA 31 -8.009 8.875 0.382 30 H ASN 32 HN ASN 32 -6.634 8.798 -2.120 31 HA ASN 32 HA ASN 32 -4.343 8.410 -3.559 32 1HB ASN 32 HB2 ASN 32 -5.585 9.108 -5.529 33 2HB ASN 32 HB1 ASN 32 -6.625 8.175 -4.458 34 1HD2 ASN 32 HD21 ASN 32 -8.037 9.467 -6.121 35 2HD2 ASN 32 HD22 ASN 32 -8.698 10.935 -5.495 36 H GLY 33 HN GLY 33 -3.924 10.125 -5.522 37 1HA GLY 33 HA2 GLY 33 -2.716 11.952 -6.136 38 2HA GLY 33 HA1 GLY 33 -3.714 12.846 -5.014 39 H ASP 34 HN ASP 34 -1.935 10.375 -3.489 40 HA ASP 34 HA ASP 34 0.167 12.298 -2.728 41 1HB ASP 34 HB2 ASP 34 -1.555 10.508 -1.103 42 2HB ASP 34 HB1 ASP 34 0.123 10.673 -0.596 43 H ILE 35 HN ILE 35 2.166 11.179 -1.834 44 HA ILE 35 HA ILE 35 2.768 8.819 -3.496 45 HB ILE 35 HB ILE 35 4.604 10.871 -2.297 46 1HG1 ILE 35 HG12 ILE 35 3.770 10.266 -5.121 47 2HG1 ILE 35 HG11 ILE 35 3.464 11.741 -4.208 48 1HG2 ILE 35 HG21 ILE 35 5.258 8.259 -2.717 49 2HG2 ILE 35 HG22 ILE 35 6.390 9.608 -2.685 50 3HG2 ILE 35 HG23 ILE 35 5.754 9.028 -4.224 51 1HD1 ILE 35 HD11 ILE 35 5.224 12.046 -5.862 52 2HD1 ILE 35 HD12 ILE 35 6.167 10.764 -5.100 53 3HD1 ILE 35 HD13 ILE 35 5.836 12.258 -4.222 54 H ALA 36 HN ALA 36 2.822 6.893 -2.330 55 HA ALA 36 HA ALA 36 3.230 7.103 0.558 56 1HB ALA 36 HB1 ALA 36 1.904 5.015 -1.140 57 2HB ALA 36 HB2 ALA 36 1.153 6.119 0.012 58 3HB ALA 36 HB3 ALA 36 2.206 4.827 0.587 59 H ILE 37 HN ILE 37 5.430 6.877 0.949 60 HA ILE 37 HA ILE 37 6.998 4.935 -0.494 61 HB ILE 37 HB ILE 37 8.736 5.512 1.271 62 1HG1 ILE 37 HG12 ILE 37 7.388 8.029 1.871 63 2HG1 ILE 37 HG11 ILE 37 6.654 6.614 2.605 64 1HG2 ILE 37 HG21 ILE 37 7.643 7.481 -0.680 65 2HG2 ILE 37 HG22 ILE 37 9.090 6.480 -0.801 66 3HG2 ILE 37 HG23 ILE 37 9.064 7.863 0.291 67 1HD1 ILE 37 HD11 ILE 37 8.171 7.371 4.193 68 2HD1 ILE 37 HD12 ILE 37 9.416 7.678 2.981 69 3HD1 ILE 37 HD13 ILE 37 8.988 6.020 3.406 70 H ILE 38 HN ILE 38 5.708 3.138 -0.051 71 HA ILE 38 HA ILE 38 5.540 2.238 2.709 72 HB ILE 38 HB ILE 38 4.080 0.436 1.701 73 1HG1 ILE 38 HG12 ILE 38 3.014 1.378 -0.503 74 2HG1 ILE 38 HG11 ILE 38 4.573 2.156 -0.707 75 1HG2 ILE 38 HG21 ILE 38 3.554 2.905 2.669 76 2HG2 ILE 38 HG22 ILE 38 2.322 1.718 2.240 77 3HG2 ILE 38 HG23 ILE 38 2.764 2.984 1.094 78 1HD1 ILE 38 HD11 ILE 38 3.887 -0.380 -1.511 79 2HD1 ILE 38 HD12 ILE 38 4.832 -0.647 -0.048 80 3HD1 ILE 38 HD13 ILE 38 5.520 0.273 -1.385 81 H ASP 39 HN ASP 39 6.715 0.627 3.553 82 HA ASP 39 HA ASP 39 8.503 -0.935 1.834 83 1HB ASP 39 HB2 ASP 39 8.287 -1.137 4.841 84 2HB ASP 39 HB1 ASP 39 9.638 -1.597 3.819 85 H PHE 40 HN PHE 40 6.996 -2.138 0.794 86 HA PHE 40 HA PHE 40 5.300 -3.886 2.407 87 1HB PHE 40 HB2 PHE 40 3.886 -4.152 0.577 88 2HB PHE 40 HB1 PHE 40 4.460 -2.504 0.387 89 HD1 PHE 40 HD1 PHE 40 5.952 -1.900 -1.410 90 HD2 PHE 40 HD2 PHE 40 4.556 -5.893 -0.963 91 HE1 PHE 40 HE1 PHE 40 6.669 -2.399 -3.707 92 HE2 PHE 40 HE2 PHE 40 5.277 -6.404 -3.261 93 HZ PHE 40 HZ PHE 40 6.333 -4.655 -4.637 94 H THR 41 HN THR 41 5.919 -5.862 2.888 95 HA THR 41 HA THR 41 8.019 -7.160 1.338 96 HB THR 41 HB THR 41 6.810 -8.358 3.790 97 HG1 THR 41 HG1 THR 41 7.156 -6.218 4.378 98 1HG2 THR 41 HG21 THR 41 8.840 -9.356 4.127 99 2HG2 THR 41 HG22 THR 41 9.721 -8.121 3.228 100 3HG2 THR 41 HG23 THR 41 8.762 -9.323 2.365 101 H GLY 42 HN GLY 42 7.480 -8.512 -0.261 102 1HA GLY 42 HA2 GLY 42 4.841 -9.621 -0.535 103 2HA GLY 42 HA1 GLY 42 6.229 -9.917 -1.577 104 H ILE 43 HN ILE 43 4.700 -10.842 1.454 105 HA ILE 43 HA ILE 43 6.427 -13.164 1.710 106 HB ILE 43 HB ILE 43 4.051 -13.004 3.424 107 1HG1 ILE 43 HG12 ILE 43 5.257 -10.573 3.008 108 2HG1 ILE 43 HG11 ILE 43 4.393 -11.024 4.468 109 1HG2 ILE 43 HG21 ILE 43 5.526 -14.674 4.009 110 2HG2 ILE 43 HG22 ILE 43 5.933 -13.389 5.146 111 3HG2 ILE 43 HG23 ILE 43 6.944 -13.663 3.727 112 1HD1 ILE 43 HD11 ILE 43 7.364 -11.237 4.029 113 2HD1 ILE 43 HD12 ILE 43 6.504 -11.678 5.504 114 3HD1 ILE 43 HD13 ILE 43 6.534 -9.997 4.970 115 H VAL 44 HN VAL 44 5.975 -15.045 0.747 116 HA VAL 44 HA VAL 44 3.307 -15.491 -0.320 117 HB VAL 44 HB VAL 44 5.212 -15.880 -1.802 118 1HG1 VAL 44 HG11 VAL 44 6.543 -16.845 0.310 119 2HG1 VAL 44 HG12 VAL 44 6.978 -17.223 -1.356 120 3HG1 VAL 44 HG13 VAL 44 6.016 -18.363 -0.416 121 1HG2 VAL 44 HG21 VAL 44 3.862 -18.492 -1.146 122 2HG2 VAL 44 HG22 VAL 44 4.496 -17.971 -2.707 123 3HG2 VAL 44 HG23 VAL 44 3.083 -17.171 -2.018 124 H ASP 45 HN ASP 45 2.364 -15.800 1.825 125 HA ASP 45 HA ASP 45 1.545 -17.075 3.527 126 1HB ASP 45 HB2 ASP 45 1.077 -18.434 1.334 127 2HB ASP 45 HB1 ASP 45 2.269 -19.546 2.002 128 H ASN 46 HN ASN 46 3.410 -16.436 4.853 129 HA ASN 46 HA ASN 46 4.766 -17.108 6.587 130 1HB ASN 46 HB2 ASN 46 5.103 -19.793 5.265 131 2HB ASN 46 HB1 ASN 46 5.447 -19.362 6.935 132 1HD2 ASN 46 HD21 ASN 46 3.774 -19.170 8.398 133 2HD2 ASN 46 HD22 ASN 46 2.181 -19.753 8.070 134 H LYS 47 HN LYS 47 5.696 -18.025 3.302 135 HA LYS 47 HA LYS 47 8.465 -17.560 3.992 136 1HB LYS 47 HB2 LYS 47 7.188 -19.173 2.108 137 2HB LYS 47 HB1 LYS 47 7.954 -17.912 1.152 138 1HG LYS 47 HG2 LYS 47 9.613 -19.487 1.235 139 2HG LYS 47 HG1 LYS 47 10.044 -18.464 2.607 140 1HD LYS 47 HD2 LYS 47 10.193 -20.564 3.543 141 2HD LYS 47 HD1 LYS 47 8.531 -20.125 3.944 142 1HE LYS 47 HE2 LYS 47 7.951 -21.283 1.698 143 2HE LYS 47 HE1 LYS 47 9.540 -22.029 1.865 144 1HZ LYS 47 HZ1 LYS 47 7.841 -22.139 4.216 145 2HZ LYS 47 HZ2 LYS 47 8.851 -23.323 3.553 146 3HZ LYS 47 HZ3 LYS 47 7.315 -23.057 2.895 147 H LYS 48 HN LYS 48 9.751 -15.919 3.163 148 HA LYS 48 HA LYS 48 8.287 -13.694 1.893 149 1HB LYS 48 HB2 LYS 48 9.968 -12.205 3.072 150 2HB LYS 48 HB1 LYS 48 8.774 -12.982 4.101 151 1HG LYS 48 HG2 LYS 48 11.116 -14.633 3.855 152 2HG LYS 48 HG1 LYS 48 11.550 -13.009 4.390 153 1HD LYS 48 HD2 LYS 48 10.727 -13.385 6.428 154 2HD LYS 48 HD1 LYS 48 9.194 -13.957 5.768 155 1HE LYS 48 HE2 LYS 48 9.728 -16.079 6.177 156 2HE LYS 48 HE1 LYS 48 11.285 -15.906 5.368 157 1HZ LYS 48 HZ1 LYS 48 11.114 -14.684 7.988 158 2HZ LYS 48 HZ2 LYS 48 12.350 -15.614 7.305 159 3HZ LYS 48 HZ3 LYS 48 10.998 -16.372 7.981 160 H LEU 49 HN LEU 49 8.906 -13.824 -0.204 161 HA LEU 49 HA LEU 49 11.666 -14.445 -0.871 162 1HB LEU 49 HB2 LEU 49 10.804 -14.245 -3.254 163 2HB LEU 49 HB1 LEU 49 10.188 -15.566 -2.285 164 HG LEU 49 HG LEU 49 8.561 -14.256 -3.797 165 1HD1 LEU 49 HD11 LEU 49 6.992 -15.296 -2.629 166 2HD1 LEU 49 HD12 LEU 49 7.249 -14.264 -1.223 167 3HD1 LEU 49 HD13 LEU 49 8.244 -15.701 -1.455 168 1HD2 LEU 49 HD21 LEU 49 8.796 -12.344 -1.479 169 2HD2 LEU 49 HD22 LEU 49 7.497 -12.327 -2.670 170 3HD2 LEU 49 HD23 LEU 49 9.158 -12.012 -3.172 171 H ALA 50 HN ALA 50 12.393 -13.088 -2.963 172 HA ALA 50 HA ALA 50 12.608 -10.351 -1.984 173 1HB ALA 50 HB1 ALA 50 14.483 -10.122 -3.447 174 2HB ALA 50 HB2 ALA 50 14.075 -11.617 -4.290 175 3HB ALA 50 HB3 ALA 50 14.629 -11.671 -2.616 176 H SER 51 HN SER 51 10.810 -12.084 -4.274 177 HA SER 51 HA SER 51 10.591 -10.388 -6.442 178 1HB SER 51 HB2 SER 51 9.097 -12.594 -5.352 179 2HB SER 51 HB1 SER 51 7.993 -11.370 -5.977 180 HG SER 51 HG SER 51 10.213 -12.298 -7.461 181 H ALA 52 HN ALA 52 7.882 -10.523 -4.170 182 HA ALA 52 HA ALA 52 7.372 -7.744 -4.727 183 1HB ALA 52 HB1 ALA 52 5.533 -8.574 -2.803 184 2HB ALA 52 HB2 ALA 52 5.828 -9.994 -3.809 185 3HB ALA 52 HB3 ALA 52 5.292 -8.486 -4.549 186 H SER 53 HN SER 53 9.725 -8.589 -3.010 187 HA SER 53 HA SER 53 9.029 -7.519 -0.401 188 1HB SER 53 HB2 SER 53 11.049 -9.270 -1.432 189 2HB SER 53 HB1 SER 53 11.828 -7.920 -0.607 190 HG SER 53 HG SER 53 9.959 -9.774 0.423 191 H ALA 54 HN ALA 54 8.569 -5.339 -0.896 192 HA ALA 54 HA ALA 54 10.915 -3.760 -1.713 193 1HB ALA 54 HB1 ALA 54 8.248 -2.529 -1.906 194 2HB ALA 54 HB2 ALA 54 8.633 -3.791 -3.077 195 3HB ALA 54 HB3 ALA 54 9.658 -2.360 -2.950 196 H GLN 55 HN GLN 55 11.654 -2.232 -0.488 197 HA GLN 55 HA GLN 55 10.513 -1.900 2.159 198 1HB GLN 55 HB2 GLN 55 13.060 -0.713 1.088 199 2HB GLN 55 HB1 GLN 55 12.609 -0.955 2.771 200 1HG GLN 55 HG2 GLN 55 12.907 -3.276 2.631 201 2HG GLN 55 HG1 GLN 55 12.944 -3.247 0.869 202 1HE2 GLN 55 HE21 GLN 55 14.874 -4.312 2.804 203 2HE2 GLN 55 HE22 GLN 55 16.374 -3.530 2.452 204 H ASN 56 HN ASN 56 12.059 0.740 1.993 205 HA ASN 56 HA ASN 56 9.853 2.472 1.872 206 1HB ASN 56 HB2 ASN 56 11.610 4.302 1.720 207 2HB ASN 56 HB1 ASN 56 11.762 3.217 3.099 208 1HD2 ASN 56 HD21 ASN 56 13.622 4.893 1.280 209 2HD2 ASN 56 HD22 ASN 56 14.940 3.816 0.985 210 H TYR 57 HN TYR 57 8.909 1.685 -0.127 211 HA TYR 57 HA TYR 57 10.234 2.545 -2.585 212 1HB TYR 57 HB2 TYR 57 9.225 0.233 -2.341 213 2HB TYR 57 HB1 TYR 57 7.646 1.009 -2.323 214 HD1 TYR 57 HD1 TYR 57 7.287 2.707 -4.374 215 HD2 TYR 57 HD2 TYR 57 9.976 -0.590 -4.352 216 HE1 TYR 57 HE1 TYR 57 7.235 2.656 -6.830 217 HE2 TYR 57 HE2 TYR 57 9.931 -0.650 -6.809 218 HH TYR 57 HH TYR 57 8.481 0.059 -8.643 219 H GLU 58 HN GLU 58 9.926 4.643 -2.947 220 HA GLU 58 HA GLU 58 7.708 6.157 -2.157 221 1HB GLU 58 HB2 GLU 58 10.067 6.899 -2.975 222 2HB GLU 58 HB1 GLU 58 9.341 6.853 -4.576 223 1HG GLU 58 HG2 GLU 58 7.762 8.527 -3.999 224 2HG GLU 58 HG1 GLU 58 8.202 8.439 -2.294 225 H LEU 59 HN LEU 59 5.862 5.057 -2.693 226 HA LEU 59 HA LEU 59 5.271 4.627 -5.521 227 1HB LEU 59 HB2 LEU 59 4.748 2.789 -4.042 228 2HB LEU 59 HB1 LEU 59 3.808 3.838 -3.001 229 HG LEU 59 HG LEU 59 2.054 4.027 -4.627 230 1HD1 LEU 59 HD11 LEU 59 3.031 2.187 -6.635 231 2HD1 LEU 59 HD12 LEU 59 4.063 3.608 -6.513 232 3HD1 LEU 59 HD13 LEU 59 2.339 3.796 -6.826 233 1HD2 LEU 59 HD21 LEU 59 1.786 2.085 -3.365 234 2HD2 LEU 59 HD22 LEU 59 3.076 1.242 -4.224 235 3HD2 LEU 59 HD23 LEU 59 1.548 1.579 -5.037 236 H THR 60 HN THR 60 3.328 5.475 -6.455 237 HA THR 60 HA THR 60 2.448 7.983 -5.175 238 HB THR 60 HB THR 60 1.764 7.633 -8.015 239 HG1 THR 60 HG1 THR 60 4.497 7.759 -7.259 240 1HG2 THR 60 HG21 THR 60 3.541 9.797 -7.047 241 2HG2 THR 60 HG22 THR 60 1.879 9.761 -6.458 242 3HG2 THR 60 HG23 THR 60 2.200 9.850 -8.190 243 H ILE 61 HN ILE 61 0.472 7.651 -4.193 244 HA ILE 61 HA ILE 61 -1.242 5.563 -5.221 245 HB ILE 61 HB ILE 61 -2.740 6.350 -3.283 246 1HG1 ILE 61 HG12 ILE 61 -0.123 7.615 -2.430 247 2HG1 ILE 61 HG11 ILE 61 -1.552 8.515 -2.930 248 1HG2 ILE 61 HG21 ILE 61 -1.926 4.439 -2.506 249 2HG2 ILE 61 HG22 ILE 61 -0.557 5.319 -1.824 250 3HG2 ILE 61 HG23 ILE 61 -0.456 4.649 -3.454 251 1HD1 ILE 61 HD11 ILE 61 -2.773 7.747 -1.033 252 2HD1 ILE 61 HD12 ILE 61 -1.218 8.362 -0.474 253 3HD1 ILE 61 HD13 ILE 61 -1.487 6.624 -0.595 254 H GLY 62 HN GLY 62 -2.187 6.132 -7.024 255 1HA GLY 62 HA2 GLY 62 -4.394 7.274 -7.599 256 2HA GLY 62 HA1 GLY 62 -3.530 8.748 -7.167 257 H SER 63 HN SER 63 -1.683 6.271 -8.669 258 HA SER 63 HA SER 63 -1.556 7.874 -11.118 259 1HB SER 63 HB2 SER 63 0.417 6.251 -9.604 260 2HB SER 63 HB1 SER 63 0.565 6.244 -11.361 261 HG SER 63 HG SER 63 1.767 7.940 -10.409 262 H ASN 64 HN ASN 64 -2.458 4.788 -9.859 263 HA ASN 64 HA ASN 64 -3.622 3.086 -10.821 264 1HB ASN 64 HB2 ASN 64 -3.273 4.396 -13.516 265 2HB ASN 64 HB1 ASN 64 -4.503 3.237 -13.024 266 1HD2 ASN 64 HD21 ASN 64 -5.546 5.275 -14.170 267 2HD2 ASN 64 HD22 ASN 64 -6.213 6.423 -13.065 268 H SER 65 HN SER 65 -0.643 3.321 -10.644 269 HA SER 65 HA SER 65 0.194 1.568 -12.829 270 1HB SER 65 HB2 SER 65 1.890 2.796 -10.643 271 2HB SER 65 HB1 SER 65 2.468 2.003 -12.108 272 HG SER 65 HG SER 65 2.370 3.908 -12.970 273 H PHE 66 HN PHE 66 -0.559 1.477 -9.450 274 HA PHE 66 HA PHE 66 0.639 -1.174 -9.156 275 1HB PHE 66 HB2 PHE 66 0.168 0.989 -7.380 276 2HB PHE 66 HB1 PHE 66 -0.813 -0.362 -6.822 277 HD1 PHE 66 HD1 PHE 66 2.641 0.605 -7.751 278 HD2 PHE 66 HD2 PHE 66 0.154 -2.143 -5.662 279 HE1 PHE 66 HE1 PHE 66 4.632 -0.404 -6.716 280 HE2 PHE 66 HE2 PHE 66 2.140 -3.156 -4.622 281 HZ PHE 66 HZ PHE 66 4.383 -2.287 -5.148 282 H ILE 67 HN ILE 67 -0.619 -2.974 -8.369 283 HA ILE 67 HA ILE 67 -2.979 -3.405 -9.787 284 HB ILE 67 HB ILE 67 -3.307 -5.403 -8.369 285 1HG1 ILE 67 HG12 ILE 67 -0.893 -4.356 -6.865 286 2HG1 ILE 67 HG11 ILE 67 -2.532 -4.480 -6.230 287 1HG2 ILE 67 HG21 ILE 67 -0.396 -5.316 -9.003 288 2HG2 ILE 67 HG22 ILE 67 -1.571 -5.104 -10.301 289 3HG2 ILE 67 HG23 ILE 67 -1.585 -6.577 -9.331 290 1HD1 ILE 67 HD11 ILE 67 -0.685 -6.312 -5.756 291 2HD1 ILE 67 HD12 ILE 67 -1.286 -6.952 -7.285 292 3HD1 ILE 67 HD13 ILE 67 -2.391 -6.724 -5.929 293 H LYS 68 HN LYS 68 -5.130 -3.951 -8.861 294 HA LYS 68 HA LYS 68 -6.051 -1.756 -7.242 295 1HB LYS 68 HB2 LYS 68 -7.314 -3.929 -8.829 296 2HB LYS 68 HB1 LYS 68 -8.264 -3.231 -7.525 297 1HG LYS 68 HG2 LYS 68 -8.419 -1.186 -8.543 298 2HG LYS 68 HG1 LYS 68 -6.925 -1.407 -9.457 299 1HD LYS 68 HD2 LYS 68 -8.237 -3.296 -10.658 300 2HD LYS 68 HD1 LYS 68 -9.664 -2.481 -10.015 301 1HE LYS 68 HE2 LYS 68 -9.467 -0.747 -11.434 302 2HE LYS 68 HE1 LYS 68 -7.710 -0.709 -11.301 303 1HZ LYS 68 HZ1 LYS 68 -7.458 -2.055 -13.070 304 2HZ LYS 68 HZ2 LYS 68 -8.993 -1.482 -13.490 305 3HZ LYS 68 HZ3 LYS 68 -8.832 -2.980 -12.723 306 H GLY 69 HN GLY 69 -6.150 -1.758 -5.095 307 1HA GLY 69 HA2 GLY 69 -7.174 -2.872 -3.144 308 2HA GLY 69 HA1 GLY 69 -6.439 -4.360 -3.725 309 H PHE 70 HN PHE 70 -3.988 -2.807 -4.498 310 HA PHE 70 HA PHE 70 -2.639 -3.085 -1.966 311 1HB PHE 70 HB2 PHE 70 -1.665 -3.867 -4.126 312 2HB PHE 70 HB1 PHE 70 -1.520 -2.188 -4.629 313 HD1 PHE 70 HD1 PHE 70 -0.202 -0.644 -2.959 314 HD2 PHE 70 HD2 PHE 70 0.119 -4.881 -3.118 315 HE1 PHE 70 HE1 PHE 70 1.987 -0.513 -1.858 316 HE2 PHE 70 HE2 PHE 70 2.313 -4.760 -2.019 317 HZ PHE 70 HZ PHE 70 3.246 -2.571 -1.382 318 H GLU 71 HN GLU 71 -2.237 -0.487 -4.363 319 HA GLU 71 HA GLU 71 -1.278 1.480 -2.740 320 1HB GLU 71 HB2 GLU 71 -2.852 1.463 -5.255 321 2HB GLU 71 HB1 GLU 71 -2.772 2.992 -4.391 322 1HG GLU 71 HG2 GLU 71 -0.291 2.785 -4.395 323 2HG GLU 71 HG1 GLU 71 -0.465 1.366 -5.426 324 H THR 72 HN THR 72 -4.657 0.559 -3.206 325 HA THR 72 HA THR 72 -5.830 2.690 -1.793 326 HB THR 72 HB THR 72 -7.699 0.820 -1.508 327 HG1 THR 72 HG1 THR 72 -7.487 -0.787 -3.012 328 1HG2 THR 72 HG21 THR 72 -8.707 1.850 -3.190 329 2HG2 THR 72 HG22 THR 72 -7.470 1.347 -4.343 330 3HG2 THR 72 HG23 THR 72 -7.230 2.797 -3.368 331 H GLY 73 HN GLY 73 -4.984 -0.606 -0.709 332 1HA GLY 73 HA2 GLY 73 -6.008 -0.403 1.882 333 2HA GLY 73 HA1 GLY 73 -4.684 -1.453 1.409 334 H LEU 74 HN LEU 74 -3.177 1.041 0.538 335 HA LEU 74 HA LEU 74 -2.015 1.560 3.167 336 1HB LEU 74 HB2 LEU 74 -0.969 2.706 0.603 337 2HB LEU 74 HB1 LEU 74 -0.093 2.269 2.059 338 HG LEU 74 HG LEU 74 -1.350 0.260 0.195 339 1HD1 LEU 74 HD11 LEU 74 0.308 0.822 -1.197 340 2HD1 LEU 74 HD12 LEU 74 1.340 -0.043 -0.059 341 3HD1 LEU 74 HD13 LEU 74 1.184 1.710 0.049 342 1HD2 LEU 74 HD21 LEU 74 0.163 -1.297 1.396 343 2HD2 LEU 74 HD22 LEU 74 -1.099 -0.602 2.413 344 3HD2 LEU 74 HD23 LEU 74 0.551 0.011 2.514 345 H ILE 75 HN ILE 75 -3.748 3.231 0.616 346 HA ILE 75 HA ILE 75 -3.286 5.864 1.599 347 HB ILE 75 HB ILE 75 -4.795 6.656 -0.008 348 1HG1 ILE 75 HG12 ILE 75 -6.129 4.525 -1.184 349 2HG1 ILE 75 HG11 ILE 75 -6.221 4.169 0.536 350 1HG2 ILE 75 HG21 ILE 75 -4.252 4.474 -1.756 351 2HG2 ILE 75 HG22 ILE 75 -2.865 4.744 -0.701 352 3HG2 ILE 75 HG23 ILE 75 -3.499 6.062 -1.683 353 1HD1 ILE 75 HD11 ILE 75 -8.154 5.430 -0.255 354 2HD1 ILE 75 HD12 ILE 75 -7.087 6.741 -0.757 355 3HD1 ILE 75 HD13 ILE 75 -7.233 6.329 0.951 356 H ALA 76 HN ALA 76 -5.595 3.423 2.402 357 HA ALA 76 HA ALA 76 -7.538 5.162 3.542 358 1HB ALA 76 HB1 ALA 76 -8.787 3.309 3.840 359 2HB ALA 76 HB2 ALA 76 -7.445 2.375 4.501 360 3HB ALA 76 HB3 ALA 76 -7.598 2.585 2.757 361 H MET 77 HN MET 77 -4.559 3.829 4.686 362 HA MET 77 HA MET 77 -5.285 4.603 7.438 363 1HB MET 77 HB2 MET 77 -3.582 2.459 6.333 364 2HB MET 77 HB1 MET 77 -2.917 3.291 7.732 365 1HG MET 77 HG2 MET 77 -5.194 2.857 8.823 366 2HG MET 77 HG1 MET 77 -5.441 1.698 7.519 367 1HE MET 77 HE1 MET 77 -4.505 -1.210 9.618 368 2HE MET 77 HE2 MET 77 -4.955 -0.783 7.967 369 3HE MET 77 HE3 MET 77 -5.855 -0.112 9.328 370 H LYS 78 HN LYS 78 -3.382 5.457 8.736 371 HA LYS 78 HA LYS 78 -2.408 7.793 7.406 372 1HB LYS 78 HB2 LYS 78 -2.955 7.158 10.013 373 2HB LYS 78 HB1 LYS 78 -1.197 7.109 10.002 374 1HG LYS 78 HG2 LYS 78 -1.947 9.440 8.614 375 2HG LYS 78 HG1 LYS 78 -2.941 9.368 10.068 376 1HD LYS 78 HD2 LYS 78 -1.197 9.783 11.418 377 2HD LYS 78 HD1 LYS 78 -0.131 8.697 10.526 378 1HE LYS 78 HE2 LYS 78 0.514 11.139 10.516 379 2HE LYS 78 HE1 LYS 78 0.396 10.363 8.937 380 1HZ LYS 78 HZ1 LYS 78 -1.653 11.410 8.517 381 2HZ LYS 78 HZ2 LYS 78 -0.654 12.622 9.143 382 3HZ LYS 78 HZ3 LYS 78 -1.834 11.911 10.123 383 H VAL 79 HN VAL 79 0.197 7.982 8.715 384 HA VAL 79 HA VAL 79 1.677 6.202 6.919 385 HB VAL 79 HB VAL 79 2.215 8.925 8.077 386 1HG1 VAL 79 HG11 VAL 79 4.536 8.801 7.238 387 2HG1 VAL 79 HG12 VAL 79 4.315 7.076 6.967 388 3HG1 VAL 79 HG13 VAL 79 4.238 7.724 8.602 389 1HG2 VAL 79 HG21 VAL 79 2.580 7.856 5.286 390 2HG2 VAL 79 HG22 VAL 79 2.616 9.542 5.801 391 3HG2 VAL 79 HG23 VAL 79 1.107 8.631 5.870 392 H ASN 80 HN ASN 80 3.746 5.356 7.757 393 HA ASN 80 HA ASN 80 5.024 4.247 9.279 394 1HB ASN 80 HB2 ASN 80 4.972 6.487 10.463 395 2HB ASN 80 HB1 ASN 80 3.644 5.855 11.433 396 1HD2 ASN 80 HD21 ASN 80 6.825 4.723 10.326 397 2HD2 ASN 80 HD22 ASN 80 7.345 4.150 11.870 398 H GLN 81 HN GLN 81 2.127 3.563 8.594 399 HA GLN 81 HA GLN 81 1.478 1.891 10.922 400 1HB GLN 81 HB2 GLN 81 -0.091 3.245 8.870 401 2HB GLN 81 HB1 GLN 81 -0.561 1.562 9.067 402 1HG GLN 81 HG2 GLN 81 -0.325 3.479 11.368 403 2HG GLN 81 HG1 GLN 81 -1.817 3.231 10.461 404 1HE2 GLN 81 HE21 GLN 81 -2.645 2.598 12.574 405 2HE2 GLN 81 HE22 GLN 81 -2.426 0.968 13.103 406 H LYS 82 HN LYS 82 1.367 -0.326 10.797 407 HA LYS 82 HA LYS 82 2.747 -1.516 8.531 408 1HB LYS 82 HB2 LYS 82 2.310 -2.211 11.340 409 2HB LYS 82 HB1 LYS 82 2.150 -3.584 10.252 410 1HG LYS 82 HG2 LYS 82 4.432 -2.337 9.354 411 2HG LYS 82 HG1 LYS 82 4.524 -2.144 11.106 412 1HD LYS 82 HD2 LYS 82 3.808 -4.808 9.967 413 2HD LYS 82 HD1 LYS 82 5.493 -4.286 9.942 414 1HE LYS 82 HE2 LYS 82 4.169 -3.856 12.511 415 2HE LYS 82 HE1 LYS 82 4.239 -5.550 12.029 416 1HZ LYS 82 HZ1 LYS 82 6.315 -5.553 12.765 417 2HZ LYS 82 HZ2 LYS 82 6.317 -3.879 13.001 418 3HZ LYS 82 HZ3 LYS 82 6.738 -4.520 11.493 419 H LYS 83 HN LYS 83 1.479 -1.872 6.828 420 HA LYS 83 HA LYS 83 -1.220 -2.923 7.225 421 1HB LYS 83 HB2 LYS 83 -0.580 -0.954 5.652 422 2HB LYS 83 HB1 LYS 83 -0.042 -2.220 4.557 423 1HG LYS 83 HG2 LYS 83 -2.240 -1.684 3.914 424 2HG LYS 83 HG1 LYS 83 -2.346 -3.221 4.774 425 1HD LYS 83 HD2 LYS 83 -2.723 -1.558 6.832 426 2HD LYS 83 HD1 LYS 83 -3.349 -0.539 5.534 427 1HE LYS 83 HE2 LYS 83 -4.276 -3.312 5.421 428 2HE LYS 83 HE1 LYS 83 -4.770 -2.454 6.880 429 1HZ LYS 83 HZ1 LYS 83 -5.100 -1.010 4.381 430 2HZ LYS 83 HZ2 LYS 83 -6.119 -1.091 5.729 431 3HZ LYS 83 HZ3 LYS 83 -6.115 -2.347 4.596 432 H THR 84 HN THR 84 -0.386 -5.033 7.908 433 HA THR 84 HA THR 84 0.961 -6.647 5.917 434 HB THR 84 HB THR 84 -0.141 -7.377 8.635 435 HG1 THR 84 HG1 THR 84 2.426 -6.627 7.730 436 1HG2 THR 84 HG21 THR 84 2.004 -9.044 7.768 437 2HG2 THR 84 HG22 THR 84 0.695 -9.098 6.587 438 3HG2 THR 84 HG23 THR 84 0.376 -9.491 8.277 439 H LEU 85 HN LEU 85 -0.962 -6.114 4.459 440 HA LEU 85 HA LEU 85 -3.299 -7.785 4.926 441 1HB LEU 85 HB2 LEU 85 -3.574 -5.485 4.111 442 2HB LEU 85 HB1 LEU 85 -2.645 -5.881 2.678 443 HG LEU 85 HG LEU 85 -5.062 -7.522 3.213 444 1HD1 LEU 85 HD11 LEU 85 -6.401 -5.748 1.978 445 2HD1 LEU 85 HD12 LEU 85 -5.117 -4.624 2.424 446 3HD1 LEU 85 HD13 LEU 85 -6.050 -5.442 3.679 447 1HD2 LEU 85 HD21 LEU 85 -3.715 -8.026 1.289 448 2HD2 LEU 85 HD22 LEU 85 -3.762 -6.345 0.762 449 3HD2 LEU 85 HD23 LEU 85 -5.234 -7.316 0.744 450 H ALA 86 HN ALA 86 -3.793 -9.615 3.813 451 HA ALA 86 HA ALA 86 -1.692 -10.812 2.205 452 1HB ALA 86 HB1 ALA 86 -2.602 -12.812 2.735 453 2HB ALA 86 HB2 ALA 86 -4.255 -12.237 2.517 454 3HB ALA 86 HB3 ALA 86 -3.388 -11.882 4.011 455 H LEU 87 HN LEU 87 -1.789 -9.454 0.368 456 HA LEU 87 HA LEU 87 -4.252 -9.320 -1.147 457 1HB LEU 87 HB2 LEU 87 -2.435 -7.479 -0.817 458 2HB LEU 87 HB1 LEU 87 -1.633 -8.301 -2.141 459 HG LEU 87 HG LEU 87 -3.589 -7.929 -3.574 460 1HD1 LEU 87 HD11 LEU 87 -5.379 -7.925 -2.009 461 2HD1 LEU 87 HD12 LEU 87 -5.334 -6.328 -2.755 462 3HD1 LEU 87 HD13 LEU 87 -4.690 -6.560 -1.130 463 1HD2 LEU 87 HD21 LEU 87 -3.468 -5.276 -3.310 464 2HD2 LEU 87 HD22 LEU 87 -2.153 -6.227 -3.999 465 3HD2 LEU 87 HD23 LEU 87 -2.082 -5.717 -2.312 466 H THR 88 HN THR 88 -4.444 -9.919 -3.344 467 HA THR 88 HA THR 88 -2.985 -12.369 -3.987 468 HB THR 88 HB THR 88 -5.196 -11.297 -5.687 469 HG1 THR 88 HG1 THR 88 -5.543 -12.481 -3.137 470 1HG2 THR 88 HG21 THR 88 -4.730 -13.310 -6.565 471 2HG2 THR 88 HG22 THR 88 -5.776 -13.877 -5.263 472 3HG2 THR 88 HG23 THR 88 -4.023 -13.922 -5.070 473 H PHE 89 HN PHE 89 -2.688 -12.605 -6.500 474 HA PHE 89 HA PHE 89 -1.463 -10.118 -7.499 475 1HB PHE 89 HB2 PHE 89 -0.377 -12.875 -7.306 476 2HB PHE 89 HB1 PHE 89 0.008 -11.972 -8.754 477 HD1 PHE 89 HD1 PHE 89 1.349 -12.884 -5.810 478 HD2 PHE 89 HD2 PHE 89 0.563 -9.335 -8.017 479 HE1 PHE 89 HE1 PHE 89 3.186 -11.757 -4.634 480 HE2 PHE 89 HE2 PHE 89 2.398 -8.197 -6.837 481 HZ PHE 89 HZ PHE 89 3.713 -9.410 -5.148 482 HA PRO 90 HA PRO 90 -4.518 -11.128 -10.686 483 1HB PRO 90 HB2 PRO 90 -4.550 -8.695 -11.847 484 2HB PRO 90 HB1 PRO 90 -5.383 -9.025 -10.323 485 1HG PRO 90 HG2 PRO 90 -2.713 -7.743 -10.781 486 2HG PRO 90 HG1 PRO 90 -4.018 -7.247 -9.685 487 1HD PRO 90 HD2 PRO 90 -1.841 -8.628 -8.843 488 2HD PRO 90 HD1 PRO 90 -3.438 -8.802 -8.089 489 H SER 91 HN SER 91 -4.533 -11.180 -13.010 490 HA SER 91 HA SER 91 -2.148 -12.064 -14.162 491 1HB SER 91 HB2 SER 91 -4.792 -12.129 -14.872 492 2HB SER 91 HB1 SER 91 -4.126 -11.014 -16.065 493 HG SER 91 HG SER 91 -3.528 -13.719 -15.620 494 H ASP 92 HN ASP 92 -3.679 -8.909 -14.173 495 HA ASP 92 HA ASP 92 -2.413 -7.567 -16.167 496 1HB ASP 92 HB2 ASP 92 -2.612 -5.526 -14.795 497 2HB ASP 92 HB1 ASP 92 -4.070 -6.512 -14.731 498 H TYR 93 HN TYR 93 -0.961 -8.672 -13.181 499 HA TYR 93 HA TYR 93 1.287 -7.099 -13.009 500 1HB TYR 93 HB2 TYR 93 0.416 -9.477 -11.830 501 2HB TYR 93 HB1 TYR 93 1.995 -9.858 -12.514 502 HD1 TYR 93 HD1 TYR 93 0.196 -7.710 -10.126 503 HD2 TYR 93 HD2 TYR 93 4.001 -8.893 -11.616 504 HE1 TYR 93 HE1 TYR 93 1.282 -6.582 -8.231 505 HE2 TYR 93 HE2 TYR 93 5.097 -7.772 -9.722 506 HH TYR 93 HH TYR 93 4.471 -7.088 -7.372 507 H HIS 94 HN HIS 94 3.257 -6.993 -13.938 508 HA HIS 94 HA HIS 94 3.538 -7.709 -16.622 509 1HB HIS 94 HB2 HIS 94 4.949 -6.155 -14.773 510 2HB HIS 94 HB1 HIS 94 6.105 -7.363 -15.323 511 HD1 HIS 94 HD1 HIS 94 3.435 -5.575 -17.350 512 HD2 HIS 94 HD2 HIS 94 7.565 -5.987 -17.151 513 HE1 HIS 94 HE1 HIS 94 4.331 -4.342 -19.351 514 HE2 HIS 94 HE2 HIS 94 6.826 -4.674 -19.254 515 H VAL 95 HN VAL 95 4.256 -9.501 -13.732 516 HA VAL 95 HA VAL 95 5.810 -11.450 -15.259 517 HB VAL 95 HB VAL 95 6.733 -10.714 -13.106 518 1HG1 VAL 95 HG11 VAL 95 5.067 -12.256 -11.372 519 2HG1 VAL 95 HG12 VAL 95 4.090 -11.066 -12.237 520 3HG1 VAL 95 HG13 VAL 95 5.485 -10.543 -11.294 521 1HG2 VAL 95 HG21 VAL 95 6.734 -13.205 -14.156 522 2HG2 VAL 95 HG22 VAL 95 6.096 -13.533 -12.545 523 3HG2 VAL 95 HG23 VAL 95 7.658 -12.735 -12.729 524 H LYS 96 HN LYS 96 5.108 -13.376 -15.764 525 HA LYS 96 HA LYS 96 2.409 -14.036 -15.896 526 1HB LYS 96 HB2 LYS 96 4.657 -16.049 -15.826 527 2HB LYS 96 HB1 LYS 96 3.086 -16.233 -16.594 528 1HG LYS 96 HG2 LYS 96 3.779 -15.256 -18.465 529 2HG LYS 96 HG1 LYS 96 4.514 -13.914 -17.586 530 1HD LYS 96 HD2 LYS 96 6.007 -16.388 -17.273 531 2HD LYS 96 HD1 LYS 96 5.851 -15.911 -18.964 532 1HE LYS 96 HE2 LYS 96 6.963 -13.900 -18.631 533 2HE LYS 96 HE1 LYS 96 6.656 -13.906 -16.895 534 1HZ LYS 96 HZ1 LYS 96 8.739 -15.273 -18.420 535 2HZ LYS 96 HZ2 LYS 96 8.130 -16.068 -17.057 536 3HZ LYS 96 HZ3 LYS 96 8.821 -14.532 -16.900 537 H GLU 97 HN GLU 97 4.826 -14.978 -13.519 538 HA GLU 97 HA GLU 97 3.351 -16.817 -12.062 539 1HB GLU 97 HB2 GLU 97 5.283 -14.926 -10.760 540 2HB GLU 97 HB1 GLU 97 4.950 -16.601 -10.350 541 1HG GLU 97 HG2 GLU 97 6.487 -15.541 -12.699 542 2HG GLU 97 HG1 GLU 97 7.070 -16.552 -11.379 543 H LEU 98 HN LEU 98 3.579 -13.304 -11.540 544 HA LEU 98 HA LEU 98 1.743 -13.456 -9.335 545 1HB LEU 98 HB2 LEU 98 3.158 -11.200 -10.686 546 2HB LEU 98 HB1 LEU 98 1.854 -10.884 -9.569 547 HG LEU 98 HG LEU 98 3.166 -11.183 -7.808 548 1HD1 LEU 98 HD11 LEU 98 4.187 -13.692 -9.111 549 2HD1 LEU 98 HD12 LEU 98 2.962 -13.562 -7.847 550 3HD1 LEU 98 HD13 LEU 98 4.642 -13.157 -7.494 551 1HD2 LEU 98 HD21 LEU 98 4.714 -10.112 -9.598 552 2HD2 LEU 98 HD22 LEU 98 5.567 -11.653 -9.515 553 3HD2 LEU 98 HD23 LEU 98 5.398 -10.657 -8.064 554 H GLN 99 HN GLN 99 0.833 -14.359 -11.929 555 HA GLN 99 HA GLN 99 -1.205 -12.442 -12.653 556 1HB GLN 99 HB2 GLN 99 -0.536 -15.222 -13.637 557 2HB GLN 99 HB1 GLN 99 -1.951 -14.336 -14.188 558 1HG GLN 99 HG2 GLN 99 -0.520 -12.574 -15.071 559 2HG GLN 99 HG1 GLN 99 0.905 -13.436 -14.496 560 1HE2 GLN 99 HE21 GLN 99 -1.301 -13.038 -17.021 561 2HE2 GLN 99 HE22 GLN 99 -0.767 -14.338 -18.025 562 H SER 100 HN SER 100 -0.759 -15.458 -10.924 563 HA SER 100 HA SER 100 -3.386 -15.097 -9.663 564 1HB SER 100 HB2 SER 100 -2.514 -17.843 -10.532 565 2HB SER 100 HB1 SER 100 -4.122 -17.292 -10.061 566 HG SER 100 HG SER 100 -3.222 -17.497 -12.479 567 H LYS 101 HN LYS 101 -1.224 -14.332 -8.307 568 HA LYS 101 HA LYS 101 -0.584 -16.616 -6.559 569 1HB LYS 101 HB2 LYS 101 1.314 -15.719 -7.927 570 2HB LYS 101 HB1 LYS 101 1.186 -14.227 -7.010 571 1HG LYS 101 HG2 LYS 101 1.305 -16.356 -5.151 572 2HG LYS 101 HG1 LYS 101 2.572 -16.618 -6.349 573 1HD LYS 101 HD2 LYS 101 3.202 -14.179 -5.987 574 2HD LYS 101 HD1 LYS 101 2.148 -14.228 -4.573 575 1HE LYS 101 HE2 LYS 101 4.496 -14.640 -3.988 576 2HE LYS 101 HE1 LYS 101 3.468 -16.023 -3.617 577 1HZ LYS 101 HZ1 LYS 101 5.759 -16.239 -4.917 578 2HZ LYS 101 HZ2 LYS 101 4.731 -16.010 -6.240 579 3HZ LYS 101 HZ3 LYS 101 4.462 -17.295 -5.174 580 HA PRO 102 HA PRO 102 -2.644 -13.911 -3.529 581 1HB PRO 102 HB2 PRO 102 -3.130 -15.842 -1.719 582 2HB PRO 102 HB1 PRO 102 -4.121 -15.661 -3.172 583 1HG PRO 102 HG2 PRO 102 -1.869 -17.565 -2.642 584 2HG PRO 102 HG1 PRO 102 -3.441 -17.878 -3.401 585 1HD PRO 102 HD2 PRO 102 -1.160 -17.503 -4.832 586 2HD PRO 102 HD1 PRO 102 -2.765 -17.049 -5.436 587 H VAL 103 HN VAL 103 -0.813 -12.723 -2.922 588 HA VAL 103 HA VAL 103 1.143 -14.036 -1.179 589 HB VAL 103 HB VAL 103 1.825 -12.708 -3.229 590 1HG1 VAL 103 HG11 VAL 103 0.186 -10.805 -2.494 591 2HG1 VAL 103 HG12 VAL 103 1.710 -10.405 -3.285 592 3HG1 VAL 103 HG13 VAL 103 1.563 -10.264 -1.535 593 1HG2 VAL 103 HG21 VAL 103 3.114 -11.616 -0.759 594 2HG2 VAL 103 HG22 VAL 103 3.857 -12.120 -2.277 595 3HG2 VAL 103 HG23 VAL 103 3.235 -13.331 -1.155 596 H THR 104 HN THR 104 2.077 -12.769 0.577 597 HA THR 104 HA THR 104 0.042 -11.288 2.080 598 HB THR 104 HB THR 104 2.435 -12.131 3.536 599 HG1 THR 104 HG1 THR 104 0.639 -14.125 2.633 600 1HG2 THR 104 HG21 THR 104 0.388 -13.273 4.834 601 2HG2 THR 104 HG22 THR 104 -0.460 -11.975 3.993 602 3HG2 THR 104 HG23 THR 104 0.888 -11.598 5.066 603 H PHE 105 HN PHE 105 0.296 -9.177 1.731 604 HA PHE 105 HA PHE 105 2.976 -8.117 1.301 605 1HB PHE 105 HB2 PHE 105 0.220 -6.953 0.956 606 2HB PHE 105 HB1 PHE 105 1.669 -5.965 0.862 607 HD1 PHE 105 HD1 PHE 105 3.371 -8.140 -0.543 608 HD2 PHE 105 HD2 PHE 105 -0.514 -6.551 -1.244 609 HE1 PHE 105 HE1 PHE 105 3.582 -8.679 -2.932 610 HE2 PHE 105 HE2 PHE 105 -0.308 -7.090 -3.632 611 HZ PHE 105 HZ PHE 105 1.740 -8.151 -4.477 612 H GLU 106 HN GLU 106 4.104 -7.400 2.949 613 HA GLU 106 HA GLU 106 2.731 -6.321 5.313 614 1HB GLU 106 HB2 GLU 106 4.373 -7.827 6.071 615 2HB GLU 106 HB1 GLU 106 5.502 -7.380 4.802 616 1HG GLU 106 HG2 GLU 106 6.201 -5.471 5.910 617 2HG GLU 106 HG1 GLU 106 4.750 -5.403 6.910 618 H VAL 107 HN VAL 107 2.062 -4.430 4.197 619 HA VAL 107 HA VAL 107 4.110 -2.727 3.057 620 HB VAL 107 HB VAL 107 1.396 -1.606 3.271 621 1HG1 VAL 107 HG11 VAL 107 2.347 -1.839 0.617 622 2HG1 VAL 107 HG12 VAL 107 3.717 -1.404 1.641 623 3HG1 VAL 107 HG13 VAL 107 2.268 -0.401 1.635 624 1HG2 VAL 107 HG21 VAL 107 0.828 -3.135 1.188 625 2HG2 VAL 107 HG22 VAL 107 0.445 -3.646 2.832 626 3HG2 VAL 107 HG23 VAL 107 1.884 -4.271 2.027 627 H VAL 108 HN VAL 108 5.299 -1.578 4.419 628 HA VAL 108 HA VAL 108 4.252 -0.601 6.910 629 HB VAL 108 HB VAL 108 6.854 -0.776 5.522 630 1HG1 VAL 108 HG11 VAL 108 7.763 0.893 7.343 631 2HG1 VAL 108 HG12 VAL 108 6.142 1.576 7.228 632 3HG1 VAL 108 HG13 VAL 108 7.168 1.496 5.797 633 1HG2 VAL 108 HG21 VAL 108 7.047 -0.818 8.363 634 2HG2 VAL 108 HG22 VAL 108 7.223 -2.148 7.219 635 3HG2 VAL 108 HG23 VAL 108 5.635 -1.758 7.879 636 H LEU 109 HN LEU 109 2.607 0.733 6.303 637 HA LEU 109 HA LEU 109 2.432 2.525 4.277 638 1HB LEU 109 HB2 LEU 109 0.871 1.767 6.356 639 2HB LEU 109 HB1 LEU 109 1.175 3.450 6.741 640 HG LEU 109 HG LEU 109 -0.024 2.391 4.183 641 1HD1 LEU 109 HD11 LEU 109 -1.686 4.270 5.444 642 2HD1 LEU 109 HD12 LEU 109 -1.157 3.151 6.700 643 3HD1 LEU 109 HD13 LEU 109 -1.956 2.538 5.252 644 1HD2 LEU 109 HD21 LEU 109 -0.370 4.838 3.704 645 2HD2 LEU 109 HD22 LEU 109 1.296 4.269 3.594 646 3HD2 LEU 109 HD23 LEU 109 0.764 5.174 5.012 647 H LYS 110 HN LYS 110 4.772 3.431 4.276 648 HA LYS 110 HA LYS 110 4.873 5.804 6.016 649 1HB LYS 110 HB2 LYS 110 6.870 3.956 5.350 650 2HB LYS 110 HB1 LYS 110 7.217 5.356 4.348 651 1HG LYS 110 HG2 LYS 110 8.231 6.278 6.080 652 2HG LYS 110 HG1 LYS 110 6.664 6.384 6.884 653 1HD LYS 110 HD2 LYS 110 7.044 4.523 8.168 654 2HD LYS 110 HD1 LYS 110 8.130 3.795 6.982 655 1HE LYS 110 HE2 LYS 110 9.894 5.304 7.582 656 2HE LYS 110 HE1 LYS 110 8.813 6.227 8.625 657 1HZ LYS 110 HZ1 LYS 110 10.405 4.483 9.647 658 2HZ LYS 110 HZ2 LYS 110 9.239 3.364 9.146 659 3HZ LYS 110 HZ3 LYS 110 8.818 4.596 10.224 660 H ALA 111 HN ALA 111 4.547 7.832 4.950 661 HA ALA 111 HA ALA 111 4.626 7.659 2.017 662 1HB ALA 111 HB1 ALA 111 2.335 7.228 2.909 663 2HB ALA 111 HB2 ALA 111 2.461 8.535 1.732 664 3HB ALA 111 HB3 ALA 111 2.305 8.907 3.449 665 H ILE 112 HN ILE 112 5.322 9.278 0.943 666 HA ILE 112 HA ILE 112 5.909 11.841 2.283 667 HB ILE 112 HB ILE 112 7.209 10.500 -0.087 668 1HG1 ILE 112 HG12 ILE 112 8.502 11.468 2.455 669 2HG1 ILE 112 HG11 ILE 112 7.775 9.870 2.345 670 1HG2 ILE 112 HG21 ILE 112 7.174 13.330 0.732 671 2HG2 ILE 112 HG22 ILE 112 7.492 12.606 -0.845 672 3HG2 ILE 112 HG23 ILE 112 8.764 12.656 0.375 673 1HD1 ILE 112 HD11 ILE 112 10.291 10.882 1.244 674 2HD1 ILE 112 HD12 ILE 112 9.350 9.874 0.144 675 3HD1 ILE 112 HD13 ILE 112 9.830 9.248 1.722 676 H LYS 113 HN LYS 113 4.849 13.717 1.398 677 HA LYS 113 HA LYS 113 3.159 13.185 -0.924 678 1HB LYS 113 HB2 LYS 113 1.995 15.279 -0.256 679 2HB LYS 113 HB1 LYS 113 1.976 14.042 0.992 680 1HG LYS 113 HG2 LYS 113 4.269 15.618 1.442 681 2HG LYS 113 HG1 LYS 113 2.932 16.726 1.129 682 1HD LYS 113 HD2 LYS 113 1.634 15.194 2.791 683 2HD LYS 113 HD1 LYS 113 3.248 14.700 3.307 684 1HE LYS 113 HE2 LYS 113 3.787 17.128 3.624 685 2HE LYS 113 HE1 LYS 113 2.086 17.480 3.323 686 1HZ LYS 113 HZ1 LYS 113 1.470 16.214 5.237 687 2HZ LYS 113 HZ2 LYS 113 2.664 17.317 5.704 688 3HZ LYS 113 HZ3 LYS 113 3.060 15.688 5.480 Start of MODEL 4 1 H LYS 29 HN LYS 29 -4.420 11.535 5.599 2 HA LYS 29 HA LYS 29 -5.037 10.114 3.933 3 1HB LYS 29 HB2 LYS 29 -6.809 12.466 3.537 4 2HB LYS 29 HB1 LYS 29 -6.726 11.296 2.228 5 1HG LYS 29 HG2 LYS 29 -7.081 9.631 4.304 6 2HG LYS 29 HG1 LYS 29 -7.918 11.061 4.909 7 1HD LYS 29 HD2 LYS 29 -9.107 11.108 2.649 8 2HD LYS 29 HD1 LYS 29 -8.484 9.472 2.423 9 1HE LYS 29 HE2 LYS 29 -9.525 9.207 4.875 10 2HE LYS 29 HE1 LYS 29 -10.579 10.477 4.255 11 1HZ LYS 29 HZ1 LYS 29 -10.660 8.830 2.211 12 2HZ LYS 29 HZ2 LYS 29 -11.710 8.672 3.527 13 3HZ LYS 29 HZ3 LYS 29 -10.336 7.691 3.420 14 H LEU 30 HN LEU 30 -3.143 9.778 2.838 15 HA LEU 30 HA LEU 30 -2.227 11.704 0.865 16 1HB LEU 30 HB2 LEU 30 -0.640 10.451 2.318 17 2HB LEU 30 HB1 LEU 30 -1.141 8.965 1.532 18 HG LEU 30 HG LEU 30 -0.399 10.577 -0.590 19 1HD1 LEU 30 HD11 LEU 30 0.609 12.260 0.730 20 2HD1 LEU 30 HD12 LEU 30 1.924 11.276 0.088 21 3HD1 LEU 30 HD13 LEU 30 1.407 11.072 1.762 22 1HD2 LEU 30 HD21 LEU 30 0.084 8.236 -0.458 23 2HD2 LEU 30 HD22 LEU 30 1.146 8.483 0.928 24 3HD2 LEU 30 HD23 LEU 30 1.607 9.102 -0.658 25 H ALA 31 HN ALA 31 -4.034 11.618 -0.570 26 HA ALA 31 HA ALA 31 -4.738 9.119 -1.799 27 1HB ALA 31 HB1 ALA 31 -6.629 10.270 -1.936 28 2HB ALA 31 HB2 ALA 31 -5.911 11.077 -3.333 29 3HB ALA 31 HB3 ALA 31 -5.804 11.817 -1.736 30 H ASN 32 HN ASN 32 -5.156 9.700 -4.402 31 HA ASN 32 HA ASN 32 -2.834 8.975 -5.659 32 1HB ASN 32 HB2 ASN 32 -5.451 9.965 -6.490 33 2HB ASN 32 HB1 ASN 32 -4.175 10.344 -7.643 34 1HD2 ASN 32 HD21 ASN 32 -4.345 7.541 -5.521 35 2HD2 ASN 32 HD22 ASN 32 -4.476 6.368 -6.782 36 H GLY 33 HN GLY 33 -2.196 10.458 -7.763 37 1HA GLY 33 HA2 GLY 33 -0.816 12.123 -8.475 38 2HA GLY 33 HA1 GLY 33 -1.786 13.191 -7.490 39 H ASP 34 HN ASP 34 -0.302 10.752 -5.644 40 HA ASP 34 HA ASP 34 1.926 12.556 -4.958 41 1HB ASP 34 HB2 ASP 34 -0.016 11.077 -3.262 42 2HB ASP 34 HB1 ASP 34 1.642 11.192 -2.679 43 H ILE 35 HN ILE 35 3.758 11.358 -3.821 44 HA ILE 35 HA ILE 35 4.242 8.813 -5.224 45 HB ILE 35 HB ILE 35 6.182 10.784 -4.054 46 1HG1 ILE 35 HG12 ILE 35 5.495 10.021 -6.879 47 2HG1 ILE 35 HG11 ILE 35 5.262 11.588 -6.109 48 1HG2 ILE 35 HG21 ILE 35 6.646 8.142 -4.127 49 2HG2 ILE 35 HG22 ILE 35 7.898 9.366 -4.311 50 3HG2 ILE 35 HG23 ILE 35 7.191 8.607 -5.737 51 1HD1 ILE 35 HD11 ILE 35 7.620 11.971 -6.036 52 2HD1 ILE 35 HD12 ILE 35 7.176 11.501 -7.677 53 3HD1 ILE 35 HD13 ILE 35 7.950 10.334 -6.604 54 H ALA 36 HN ALA 36 4.024 7.005 -3.904 55 HA ALA 36 HA ALA 36 4.227 7.440 -1.022 56 1HB ALA 36 HB1 ALA 36 2.209 6.376 -2.370 57 2HB ALA 36 HB2 ALA 36 2.627 5.878 -0.730 58 3HB ALA 36 HB3 ALA 36 3.156 4.912 -2.107 59 H ILE 37 HN ILE 37 6.334 7.065 -0.393 60 HA ILE 37 HA ILE 37 7.847 4.876 -1.506 61 HB ILE 37 HB ILE 37 9.334 6.530 -0.925 62 1HG1 ILE 37 HG12 ILE 37 9.259 4.364 1.032 63 2HG1 ILE 37 HG11 ILE 37 10.614 5.023 0.137 64 1HG2 ILE 37 HG21 ILE 37 9.232 7.884 1.137 65 2HG2 ILE 37 HG22 ILE 37 7.728 7.068 1.550 66 3HG2 ILE 37 HG23 ILE 37 7.823 8.061 0.096 67 1HD1 ILE 37 HD11 ILE 37 10.771 5.156 2.629 68 2HD1 ILE 37 HD12 ILE 37 9.466 6.338 2.575 69 3HD1 ILE 37 HD13 ILE 37 10.997 6.680 1.773 70 H ILE 38 HN ILE 38 6.304 3.284 -1.076 71 HA ILE 38 HA ILE 38 5.731 2.652 1.695 72 HB ILE 38 HB ILE 38 4.309 0.849 0.654 73 1HG1 ILE 38 HG12 ILE 38 4.705 2.434 -1.877 74 2HG1 ILE 38 HG11 ILE 38 5.587 0.946 -1.550 75 1HG2 ILE 38 HG21 ILE 38 3.007 3.078 -0.480 76 2HG2 ILE 38 HG22 ILE 38 3.927 3.658 0.908 77 3HG2 ILE 38 HG23 ILE 38 2.754 2.357 1.109 78 1HD1 ILE 38 HD11 ILE 38 3.898 -0.190 -2.401 79 2HD1 ILE 38 HD12 ILE 38 2.963 1.292 -2.600 80 3HD1 ILE 38 HD13 ILE 38 2.874 0.389 -1.088 81 H ASP 39 HN ASP 39 6.758 1.160 2.845 82 HA ASP 39 HA ASP 39 8.600 -0.697 1.535 83 1HB ASP 39 HB2 ASP 39 8.098 -0.088 4.459 84 2HB ASP 39 HB1 ASP 39 9.269 -1.267 3.881 85 H PHE 40 HN PHE 40 7.005 -1.871 0.524 86 HA PHE 40 HA PHE 40 5.163 -3.353 2.240 87 1HB PHE 40 HB2 PHE 40 3.933 -3.955 0.239 88 2HB PHE 40 HB1 PHE 40 4.217 -2.224 0.268 89 HD1 PHE 40 HD1 PHE 40 5.568 -1.153 -1.394 90 HD2 PHE 40 HD2 PHE 40 5.103 -5.384 -1.362 91 HE1 PHE 40 HE1 PHE 40 6.479 -1.266 -3.676 92 HE2 PHE 40 HE2 PHE 40 6.021 -5.505 -3.642 93 HZ PHE 40 HZ PHE 40 6.707 -3.444 -4.803 94 H THR 41 HN THR 41 5.724 -5.232 2.996 95 HA THR 41 HA THR 41 7.738 -6.837 1.639 96 HB THR 41 HB THR 41 6.538 -7.821 4.151 97 HG1 THR 41 HG1 THR 41 8.140 -5.484 4.135 98 1HG2 THR 41 HG21 THR 41 9.002 -7.864 4.772 99 2HG2 THR 41 HG22 THR 41 9.311 -7.473 3.080 100 3HG2 THR 41 HG23 THR 41 8.463 -8.961 3.501 101 H GLY 42 HN GLY 42 7.117 -8.327 0.220 102 1HA GLY 42 HA2 GLY 42 4.451 -9.293 -0.056 103 2HA GLY 42 HA1 GLY 42 5.877 -9.881 -0.899 104 H ILE 43 HN ILE 43 4.061 -10.131 2.123 105 HA ILE 43 HA ILE 43 5.450 -12.584 2.834 106 HB ILE 43 HB ILE 43 3.000 -11.942 4.303 107 1HG1 ILE 43 HG12 ILE 43 5.030 -9.872 3.834 108 2HG1 ILE 43 HG11 ILE 43 3.378 -9.718 4.424 109 1HG2 ILE 43 HG21 ILE 43 4.437 -13.677 5.070 110 2HG2 ILE 43 HG22 ILE 43 4.518 -12.355 6.231 111 3HG2 ILE 43 HG23 ILE 43 5.829 -12.596 5.076 112 1HD1 ILE 43 HD11 ILE 43 4.104 -10.300 6.655 113 2HD1 ILE 43 HD12 ILE 43 5.046 -8.942 6.039 114 3HD1 ILE 43 HD13 ILE 43 5.748 -10.561 6.074 115 H VAL 44 HN VAL 44 4.822 -14.512 2.110 116 HA VAL 44 HA VAL 44 2.192 -14.772 0.881 117 HB VAL 44 HB VAL 44 4.116 -15.557 -0.399 118 1HG1 VAL 44 HG11 VAL 44 5.662 -17.058 0.315 119 2HG1 VAL 44 HG12 VAL 44 4.512 -17.925 1.332 120 3HG1 VAL 44 HG13 VAL 44 5.205 -16.402 1.886 121 1HG2 VAL 44 HG21 VAL 44 1.719 -16.771 -0.166 122 2HG2 VAL 44 HG22 VAL 44 2.796 -18.119 0.201 123 3HG2 VAL 44 HG23 VAL 44 2.957 -17.251 -1.326 124 H ASP 45 HN ASP 45 1.146 -14.670 3.019 125 HA ASP 45 HA ASP 45 0.065 -15.617 4.785 126 1HB ASP 45 HB2 ASP 45 -0.469 -17.173 2.745 127 2HB ASP 45 HB1 ASP 45 0.533 -18.331 3.615 128 H ASN 46 HN ASN 46 1.976 -15.034 6.102 129 HA ASN 46 HA ASN 46 3.149 -15.628 7.990 130 1HB ASN 46 HB2 ASN 46 3.151 -18.495 7.061 131 2HB ASN 46 HB1 ASN 46 3.507 -17.886 8.672 132 1HD2 ASN 46 HD21 ASN 46 1.863 -19.548 9.188 133 2HD2 ASN 46 HD22 ASN 46 0.204 -19.066 9.188 134 H LYS 47 HN LYS 47 4.048 -16.974 4.868 135 HA LYS 47 HA LYS 47 6.834 -16.883 5.643 136 1HB LYS 47 HB2 LYS 47 5.346 -17.899 3.253 137 2HB LYS 47 HB1 LYS 47 7.069 -17.577 3.117 138 1HG LYS 47 HG2 LYS 47 5.909 -19.346 5.250 139 2HG LYS 47 HG1 LYS 47 6.408 -19.947 3.668 140 1HD LYS 47 HD2 LYS 47 8.673 -19.193 4.054 141 2HD LYS 47 HD1 LYS 47 8.198 -18.456 5.586 142 1HE LYS 47 HE2 LYS 47 7.606 -20.667 6.458 143 2HE LYS 47 HE1 LYS 47 8.088 -21.399 4.929 144 1HZ LYS 47 HZ1 LYS 47 10.263 -21.203 5.419 145 2HZ LYS 47 HZ2 LYS 47 9.709 -21.177 7.017 146 3HZ LYS 47 HZ3 LYS 47 10.079 -19.728 6.229 147 H LYS 48 HN LYS 48 8.349 -15.453 4.855 148 HA LYS 48 HA LYS 48 7.281 -13.194 3.282 149 1HB LYS 48 HB2 LYS 48 9.139 -11.872 4.472 150 2HB LYS 48 HB1 LYS 48 7.709 -12.288 5.406 151 1HG LYS 48 HG2 LYS 48 8.843 -13.989 6.577 152 2HG LYS 48 HG1 LYS 48 10.205 -13.956 5.455 153 1HD LYS 48 HD2 LYS 48 11.013 -12.797 7.303 154 2HD LYS 48 HD1 LYS 48 10.486 -11.507 6.221 155 1HE LYS 48 HE2 LYS 48 8.396 -12.480 8.023 156 2HE LYS 48 HE1 LYS 48 9.776 -11.761 8.851 157 1HZ LYS 48 HZ1 LYS 48 9.492 -9.752 7.626 158 2HZ LYS 48 HZ2 LYS 48 7.990 -10.164 8.284 159 3HZ LYS 48 HZ3 LYS 48 8.297 -10.439 6.644 160 H LEU 49 HN LEU 49 7.992 -13.767 1.259 161 HA LEU 49 HA LEU 49 10.741 -14.642 0.898 162 1HB LEU 49 HB2 LEU 49 10.056 -14.776 -1.540 163 2HB LEU 49 HB1 LEU 49 9.270 -15.878 -0.432 164 HG LEU 49 HG LEU 49 7.867 -14.714 -2.259 165 1HD1 LEU 49 HD11 LEU 49 6.146 -14.246 -0.145 166 2HD1 LEU 49 HD12 LEU 49 7.271 -15.456 0.471 167 3HD1 LEU 49 HD13 LEU 49 6.368 -15.765 -1.012 168 1HD2 LEU 49 HD21 LEU 49 8.078 -12.490 -0.237 169 2HD2 LEU 49 HD22 LEU 49 6.872 -12.572 -1.520 170 3HD2 LEU 49 HD23 LEU 49 8.583 -12.444 -1.926 171 H ALA 50 HN ALA 50 11.647 -13.653 -1.357 172 HA ALA 50 HA ALA 50 11.986 -10.816 -0.760 173 1HB ALA 50 HB1 ALA 50 13.601 -12.886 -2.117 174 2HB ALA 50 HB2 ALA 50 14.093 -11.600 -1.015 175 3HB ALA 50 HB3 ALA 50 13.766 -11.233 -2.709 176 H SER 51 HN SER 51 10.265 -12.791 -2.919 177 HA SER 51 HA SER 51 10.295 -11.458 -5.325 178 1HB SER 51 HB2 SER 51 8.510 -13.296 -3.971 179 2HB SER 51 HB1 SER 51 7.611 -12.143 -4.958 180 HG SER 51 HG SER 51 8.962 -12.741 -6.718 181 H ALA 52 HN ALA 52 7.472 -11.005 -3.241 182 HA ALA 52 HA ALA 52 7.212 -8.334 -4.285 183 1HB ALA 52 HB1 ALA 52 5.231 -8.689 -2.352 184 2HB ALA 52 HB2 ALA 52 5.457 -10.280 -3.083 185 3HB ALA 52 HB3 ALA 52 5.069 -8.891 -4.098 186 H SER 53 HN SER 53 9.423 -9.036 -2.340 187 HA SER 53 HA SER 53 8.733 -7.552 0.050 188 1HB SER 53 HB2 SER 53 10.432 -9.636 -0.393 189 2HB SER 53 HB1 SER 53 11.555 -8.276 -0.388 190 HG SER 53 HG SER 53 10.742 -7.696 1.654 191 H ALA 54 HN ALA 54 8.423 -5.439 -0.556 192 HA ALA 54 HA ALA 54 10.783 -4.053 -1.643 193 1HB ALA 54 HB1 ALA 54 7.917 -3.224 -1.948 194 2HB ALA 54 HB2 ALA 54 8.873 -4.039 -3.186 195 3HB ALA 54 HB3 ALA 54 9.327 -2.422 -2.640 196 H GLN 55 HN GLN 55 11.635 -2.474 -0.546 197 HA GLN 55 HA GLN 55 10.476 -1.750 2.026 198 1HB GLN 55 HB2 GLN 55 13.163 -0.956 0.931 199 2HB GLN 55 HB1 GLN 55 12.642 -0.966 2.611 200 1HG GLN 55 HG2 GLN 55 12.316 -3.587 1.618 201 2HG GLN 55 HG1 GLN 55 13.908 -3.025 1.113 202 1HE2 GLN 55 HE21 GLN 55 12.053 -2.258 4.020 203 2HE2 GLN 55 HE22 GLN 55 13.216 -2.872 5.140 204 H ASN 56 HN ASN 56 12.285 0.677 1.648 205 HA ASN 56 HA ASN 56 10.292 2.618 1.203 206 1HB ASN 56 HB2 ASN 56 13.241 3.123 0.793 207 2HB ASN 56 HB1 ASN 56 12.011 4.251 1.353 208 1HD2 ASN 56 HD21 ASN 56 10.817 3.284 3.384 209 2HD2 ASN 56 HD22 ASN 56 11.884 2.767 4.641 210 H TYR 57 HN TYR 57 9.381 1.660 -0.746 211 HA TYR 57 HA TYR 57 10.916 2.056 -3.197 212 1HB TYR 57 HB2 TYR 57 9.624 -0.045 -2.872 213 2HB TYR 57 HB1 TYR 57 8.143 0.903 -2.807 214 HD1 TYR 57 HD1 TYR 57 7.775 2.484 -4.915 215 HD2 TYR 57 HD2 TYR 57 10.220 -0.996 -4.880 216 HE1 TYR 57 HE1 TYR 57 7.567 2.322 -7.358 217 HE2 TYR 57 HE2 TYR 57 10.021 -1.167 -7.326 218 HH TYR 57 HH TYR 57 9.523 0.266 -9.239 219 H GLU 58 HN GLU 58 10.925 4.071 -3.933 220 HA GLU 58 HA GLU 58 8.882 5.960 -3.377 221 1HB GLU 58 HB2 GLU 58 10.634 6.354 -5.757 222 2HB GLU 58 HB1 GLU 58 10.152 7.502 -4.517 223 1HG GLU 58 HG2 GLU 58 11.673 6.213 -2.946 224 2HG GLU 58 HG1 GLU 58 12.307 5.421 -4.388 225 H LEU 59 HN LEU 59 7.027 4.885 -3.926 226 HA LEU 59 HA LEU 59 6.542 4.293 -6.739 227 1HB LEU 59 HB2 LEU 59 5.654 2.537 -5.636 228 2HB LEU 59 HB1 LEU 59 5.445 3.435 -4.154 229 HG LEU 59 HG LEU 59 3.342 2.599 -4.980 230 1HD1 LEU 59 HD11 LEU 59 3.818 5.162 -4.150 231 2HD1 LEU 59 HD12 LEU 59 2.257 4.348 -4.201 232 3HD1 LEU 59 HD13 LEU 59 2.766 5.362 -5.549 233 1HD2 LEU 59 HD21 LEU 59 2.725 2.553 -7.083 234 2HD2 LEU 59 HD22 LEU 59 4.302 3.227 -7.502 235 3HD2 LEU 59 HD23 LEU 59 2.926 4.296 -7.237 236 H THR 60 HN THR 60 4.627 5.134 -7.775 237 HA THR 60 HA THR 60 3.915 7.824 -6.782 238 HB THR 60 HB THR 60 3.376 7.290 -9.622 239 HG1 THR 60 HG1 THR 60 6.009 7.091 -8.609 240 1HG2 THR 60 HG21 THR 60 5.274 9.380 -8.753 241 2HG2 THR 60 HG22 THR 60 3.606 9.523 -8.198 242 3HG2 THR 60 HG23 THR 60 3.957 9.448 -9.924 243 H ILE 61 HN ILE 61 1.860 7.769 -5.927 244 HA ILE 61 HA ILE 61 0.014 5.762 -6.887 245 HB ILE 61 HB ILE 61 -1.516 6.884 -5.135 246 1HG1 ILE 61 HG12 ILE 61 1.179 7.947 -4.246 247 2HG1 ILE 61 HG11 ILE 61 -0.143 8.932 -4.862 248 1HG2 ILE 61 HG21 ILE 61 -0.968 4.943 -4.208 249 2HG2 ILE 61 HG22 ILE 61 0.393 5.751 -3.426 250 3HG2 ILE 61 HG23 ILE 61 0.609 4.963 -4.991 251 1HD1 ILE 61 HD11 ILE 61 -1.486 8.422 -2.958 252 2HD1 ILE 61 HD12 ILE 61 0.101 8.940 -2.393 253 3HD1 ILE 61 HD13 ILE 61 -0.319 7.228 -2.392 254 H GLY 62 HN GLY 62 -0.733 6.254 -8.810 255 1HA GLY 62 HA2 GLY 62 -2.781 7.528 -9.640 256 2HA GLY 62 HA1 GLY 62 -1.816 8.953 -9.264 257 H SER 63 HN SER 63 -0.165 6.166 -10.445 258 HA SER 63 HA SER 63 0.315 7.559 -12.978 259 1HB SER 63 HB2 SER 63 1.964 5.715 -11.293 260 2HB SER 63 HB1 SER 63 2.276 5.807 -13.027 261 HG SER 63 HG SER 63 3.537 7.307 -11.844 262 H ASN 64 HN ASN 64 -1.162 4.785 -11.621 263 HA ASN 64 HA ASN 64 -2.451 3.173 -12.582 264 1HB ASN 64 HB2 ASN 64 -2.253 5.074 -14.638 265 2HB ASN 64 HB1 ASN 64 -1.856 3.532 -15.389 266 1HD2 ASN 64 HD21 ASN 64 -4.295 5.560 -14.899 267 2HD2 ASN 64 HD22 ASN 64 -5.625 4.460 -14.839 268 H SER 65 HN SER 65 0.537 3.061 -12.109 269 HA SER 65 HA SER 65 1.277 0.918 -13.960 270 1HB SER 65 HB2 SER 65 3.489 1.197 -12.469 271 2HB SER 65 HB1 SER 65 3.146 2.233 -13.854 272 HG SER 65 HG SER 65 3.670 3.513 -12.089 273 H PHE 66 HN PHE 66 0.308 1.446 -10.679 274 HA PHE 66 HA PHE 66 1.174 -1.217 -9.861 275 1HB PHE 66 HB2 PHE 66 0.812 1.226 -8.506 276 2HB PHE 66 HB1 PHE 66 -0.428 0.143 -7.885 277 HD1 PHE 66 HD1 PHE 66 3.130 0.853 -8.062 278 HD2 PHE 66 HD2 PHE 66 0.192 -1.925 -6.736 279 HE1 PHE 66 HE1 PHE 66 4.804 -0.220 -6.613 280 HE2 PHE 66 HE2 PHE 66 1.860 -3.002 -5.284 281 HZ PHE 66 HZ PHE 66 4.169 -2.150 -5.221 282 H ILE 67 HN ILE 67 -0.246 -2.851 -9.197 283 HA ILE 67 HA ILE 67 -2.559 -3.207 -10.692 284 HB ILE 67 HB ILE 67 -3.143 -5.021 -9.072 285 1HG1 ILE 67 HG12 ILE 67 -0.630 -4.076 -7.673 286 2HG1 ILE 67 HG11 ILE 67 -2.268 -3.975 -7.033 287 1HG2 ILE 67 HG21 ILE 67 -0.270 -5.015 -9.986 288 2HG2 ILE 67 HG22 ILE 67 -1.663 -5.391 -11.000 289 3HG2 ILE 67 HG23 ILE 67 -1.259 -6.433 -9.635 290 1HD1 ILE 67 HD11 ILE 67 -2.380 -6.224 -6.598 291 2HD1 ILE 67 HD12 ILE 67 -0.673 -5.897 -6.297 292 3HD1 ILE 67 HD13 ILE 67 -1.175 -6.633 -7.819 293 H LYS 68 HN LYS 68 -4.794 -3.564 -9.800 294 HA LYS 68 HA LYS 68 -5.606 -1.173 -8.387 295 1HB LYS 68 HB2 LYS 68 -6.769 -2.878 -10.319 296 2HB LYS 68 HB1 LYS 68 -7.785 -2.980 -8.888 297 1HG LYS 68 HG2 LYS 68 -6.961 -0.272 -9.725 298 2HG LYS 68 HG1 LYS 68 -8.093 -1.121 -10.779 299 1HD LYS 68 HD2 LYS 68 -9.777 -1.002 -9.280 300 2HD LYS 68 HD1 LYS 68 -8.703 -1.250 -7.901 301 1HE LYS 68 HE2 LYS 68 -7.875 1.161 -8.511 302 2HE LYS 68 HE1 LYS 68 -9.443 1.275 -9.309 303 1HZ LYS 68 HZ1 LYS 68 -8.985 0.630 -6.447 304 2HZ LYS 68 HZ2 LYS 68 -10.497 0.682 -7.202 305 3HZ LYS 68 HZ3 LYS 68 -9.576 2.093 -7.057 306 H GLY 69 HN GLY 69 -5.800 -1.082 -6.248 307 1HA GLY 69 HA2 GLY 69 -7.092 -2.023 -4.344 308 2HA GLY 69 HA1 GLY 69 -6.429 -3.584 -4.805 309 H PHE 70 HN PHE 70 -3.798 -2.391 -5.418 310 HA PHE 70 HA PHE 70 -2.706 -2.571 -2.760 311 1HB PHE 70 HB2 PHE 70 -1.721 -3.528 -4.949 312 2HB PHE 70 HB1 PHE 70 -1.138 -1.894 -5.240 313 HD1 PHE 70 HD1 PHE 70 0.057 -0.842 -3.077 314 HD2 PHE 70 HD2 PHE 70 -0.246 -4.984 -3.989 315 HE1 PHE 70 HE1 PHE 70 2.027 -1.289 -1.674 316 HE2 PHE 70 HE2 PHE 70 1.726 -5.440 -2.589 317 HZ PHE 70 HZ PHE 70 2.860 -3.592 -1.430 318 H GLU 71 HN GLU 71 -1.989 -0.201 -5.329 319 HA GLU 71 HA GLU 71 -0.901 1.789 -3.817 320 1HB GLU 71 HB2 GLU 71 -2.352 1.690 -6.386 321 2HB GLU 71 HB1 GLU 71 -2.283 3.274 -5.628 322 1HG GLU 71 HG2 GLU 71 0.164 3.088 -5.509 323 2HG GLU 71 HG1 GLU 71 0.068 1.532 -6.330 324 H THR 72 HN THR 72 -4.333 1.117 -4.301 325 HA THR 72 HA THR 72 -5.352 3.434 -3.070 326 HB THR 72 HB THR 72 -7.354 1.729 -2.644 327 HG1 THR 72 HG1 THR 72 -7.252 0.076 -4.219 328 1HG2 THR 72 HG21 THR 72 -8.286 2.315 -4.673 329 2HG2 THR 72 HG22 THR 72 -6.729 2.321 -5.502 330 3HG2 THR 72 HG23 THR 72 -7.134 3.617 -4.376 331 H GLY 73 HN GLY 73 -4.277 0.360 -1.759 332 1HA GLY 73 HA2 GLY 73 -5.421 0.696 0.821 333 2HA GLY 73 HA1 GLY 73 -4.117 -0.405 0.407 334 H LEU 74 HN LEU 74 -2.473 1.875 -0.627 335 HA LEU 74 HA LEU 74 -1.417 2.654 1.988 336 1HB LEU 74 HB2 LEU 74 -0.200 3.238 -0.709 337 2HB LEU 74 HB1 LEU 74 0.590 3.296 0.854 338 HG LEU 74 HG LEU 74 1.414 1.326 0.025 339 1HD1 LEU 74 HD11 LEU 74 0.424 0.788 2.145 340 2HD1 LEU 74 HD12 LEU 74 0.196 -0.573 1.048 341 3HD1 LEU 74 HD13 LEU 74 -1.147 0.515 1.391 342 1HD2 LEU 74 HD21 LEU 74 -0.683 -0.185 -1.045 343 2HD2 LEU 74 HD22 LEU 74 0.633 0.604 -1.913 344 3HD2 LEU 74 HD23 LEU 74 -0.894 1.450 -1.673 345 H ILE 75 HN ILE 75 -2.853 4.107 -0.872 346 HA ILE 75 HA ILE 75 -2.237 6.793 -0.197 347 HB ILE 75 HB ILE 75 -3.792 7.480 -1.887 348 1HG1 ILE 75 HG12 ILE 75 -4.962 5.344 -3.063 349 2HG1 ILE 75 HG11 ILE 75 -4.991 4.822 -1.384 350 1HG2 ILE 75 HG21 ILE 75 -2.423 6.843 -3.498 351 2HG2 ILE 75 HG22 ILE 75 -2.942 5.166 -3.373 352 3HG2 ILE 75 HG23 ILE 75 -1.659 5.770 -2.326 353 1HD1 ILE 75 HD11 ILE 75 -7.053 5.922 -1.931 354 2HD1 ILE 75 HD12 ILE 75 -6.183 7.344 -2.506 355 3HD1 ILE 75 HD13 ILE 75 -6.147 6.920 -0.795 356 H ALA 76 HN ALA 76 -5.002 4.750 0.500 357 HA ALA 76 HA ALA 76 -6.674 6.802 1.490 358 1HB ALA 76 HB1 ALA 76 -7.096 4.074 2.525 359 2HB ALA 76 HB2 ALA 76 -7.099 4.251 0.770 360 3HB ALA 76 HB3 ALA 76 -8.223 5.189 1.753 361 H MET 77 HN MET 77 -3.970 5.230 2.912 362 HA MET 77 HA MET 77 -4.882 6.082 5.585 363 1HB MET 77 HB2 MET 77 -3.257 3.807 4.648 364 2HB MET 77 HB1 MET 77 -2.646 4.605 6.090 365 1HG MET 77 HG2 MET 77 -5.513 4.091 6.177 366 2HG MET 77 HG1 MET 77 -4.538 2.631 6.023 367 1HE MET 77 HE1 MET 77 -3.248 1.654 7.377 368 2HE MET 77 HE2 MET 77 -3.849 1.565 9.033 369 3HE MET 77 HE3 MET 77 -2.309 2.356 8.694 370 H LYS 78 HN LYS 78 -2.967 6.695 7.061 371 HA LYS 78 HA LYS 78 -1.768 9.027 5.920 372 1HB LYS 78 HB2 LYS 78 -2.560 8.433 8.404 373 2HB LYS 78 HB1 LYS 78 -0.869 7.981 8.560 374 1HG LYS 78 HG2 LYS 78 -0.777 10.455 7.329 375 2HG LYS 78 HG1 LYS 78 -2.093 10.605 8.495 376 1HD LYS 78 HD2 LYS 78 -0.649 9.915 10.292 377 2HD LYS 78 HD1 LYS 78 0.656 9.556 9.161 378 1HE LYS 78 HE2 LYS 78 1.180 11.756 8.853 379 2HE LYS 78 HE1 LYS 78 -0.471 12.302 9.146 380 1HZ LYS 78 HZ1 LYS 78 1.647 11.674 11.086 381 2HZ LYS 78 HZ2 LYS 78 0.028 11.509 11.547 382 3HZ LYS 78 HZ3 LYS 78 0.609 13.009 11.026 383 H VAL 79 HN VAL 79 0.766 9.130 7.161 384 HA VAL 79 HA VAL 79 2.213 7.176 5.527 385 HB VAL 79 HB VAL 79 2.873 9.949 6.512 386 1HG1 VAL 79 HG11 VAL 79 5.141 9.669 5.577 387 2HG1 VAL 79 HG12 VAL 79 4.820 7.949 5.384 388 3HG1 VAL 79 HG13 VAL 79 4.854 8.660 6.994 389 1HG2 VAL 79 HG21 VAL 79 3.437 10.223 4.067 390 2HG2 VAL 79 HG22 VAL 79 1.735 9.956 4.444 391 3HG2 VAL 79 HG23 VAL 79 2.717 8.633 3.814 392 H ASN 80 HN ASN 80 4.264 6.365 6.462 393 HA ASN 80 HA ASN 80 5.473 5.326 8.083 394 1HB ASN 80 HB2 ASN 80 4.908 7.840 9.140 395 2HB ASN 80 HB1 ASN 80 4.441 6.724 10.420 396 1HD2 ASN 80 HD21 ASN 80 6.042 5.145 11.097 397 2HD2 ASN 80 HD22 ASN 80 7.715 5.568 11.035 398 H GLN 81 HN GLN 81 2.516 4.749 7.477 399 HA GLN 81 HA GLN 81 1.828 3.320 9.953 400 1HB GLN 81 HB2 GLN 81 0.291 4.698 7.944 401 2HB GLN 81 HB1 GLN 81 -0.256 3.032 8.077 402 1HG GLN 81 HG2 GLN 81 -1.487 4.594 9.533 403 2HG GLN 81 HG1 GLN 81 -0.688 3.296 10.417 404 1HE2 GLN 81 HE21 GLN 81 0.303 6.466 9.157 405 2HE2 GLN 81 HE22 GLN 81 0.978 7.035 10.642 406 H LYS 82 HN LYS 82 2.045 1.182 10.090 407 HA LYS 82 HA LYS 82 2.889 -0.301 7.736 408 1HB LYS 82 HB2 LYS 82 4.075 -0.516 9.929 409 2HB LYS 82 HB1 LYS 82 2.627 -1.267 10.586 410 1HG LYS 82 HG2 LYS 82 3.002 -3.230 9.539 411 2HG LYS 82 HG1 LYS 82 3.706 -2.462 8.114 412 1HD LYS 82 HD2 LYS 82 5.530 -3.533 9.069 413 2HD LYS 82 HD1 LYS 82 5.676 -1.890 9.695 414 1HE LYS 82 HE2 LYS 82 6.045 -3.381 11.515 415 2HE LYS 82 HE1 LYS 82 4.454 -2.655 11.742 416 1HZ LYS 82 HZ1 LYS 82 5.172 -5.412 11.231 417 2HZ LYS 82 HZ2 LYS 82 3.839 -4.854 10.353 418 3HZ LYS 82 HZ3 LYS 82 3.831 -4.773 12.042 419 H LYS 83 HN LYS 83 1.078 -0.594 6.499 420 HA LYS 83 HA LYS 83 -1.250 -1.863 7.729 421 1HB LYS 83 HB2 LYS 83 -1.137 0.145 5.941 422 2HB LYS 83 HB1 LYS 83 -1.251 -1.219 4.838 423 1HG LYS 83 HG2 LYS 83 -3.253 -1.951 6.263 424 2HG LYS 83 HG1 LYS 83 -3.214 -0.308 6.906 425 1HD LYS 83 HD2 LYS 83 -3.760 0.642 4.865 426 2HD LYS 83 HD1 LYS 83 -3.196 -0.757 3.949 427 1HE LYS 83 HE2 LYS 83 -5.094 -2.062 4.838 428 2HE LYS 83 HE1 LYS 83 -5.672 -0.616 5.666 429 1HZ LYS 83 HZ1 LYS 83 -5.544 -1.139 2.760 430 2HZ LYS 83 HZ2 LYS 83 -5.675 0.435 3.367 431 3HZ LYS 83 HZ3 LYS 83 -6.885 -0.701 3.695 432 H THR 84 HN THR 84 -0.793 -4.009 7.967 433 HA THR 84 HA THR 84 0.449 -5.503 5.815 434 HB THR 84 HB THR 84 -0.727 -6.641 8.347 435 HG1 THR 84 HG1 THR 84 1.911 -5.667 8.008 436 1HG2 THR 84 HG21 THR 84 -0.041 -8.502 7.293 437 2HG2 THR 84 HG22 THR 84 1.533 -8.010 7.920 438 3HG2 THR 84 HG23 THR 84 1.089 -7.632 6.255 439 H LEU 85 HN LEU 85 -1.282 -5.040 4.269 440 HA LEU 85 HA LEU 85 -3.834 -6.355 4.737 441 1HB LEU 85 HB2 LEU 85 -3.689 -4.108 3.685 442 2HB LEU 85 HB1 LEU 85 -2.870 -4.836 2.317 443 HG LEU 85 HG LEU 85 -5.511 -5.972 3.045 444 1HD1 LEU 85 HD11 LEU 85 -6.622 -4.181 1.686 445 2HD1 LEU 85 HD12 LEU 85 -5.141 -3.236 1.844 446 3HD1 LEU 85 HD13 LEU 85 -6.067 -3.672 3.281 447 1HD2 LEU 85 HD21 LEU 85 -4.756 -7.003 1.170 448 2HD2 LEU 85 HD22 LEU 85 -3.798 -5.614 0.657 449 3HD2 LEU 85 HD23 LEU 85 -5.543 -5.624 0.403 450 H ALA 86 HN ALA 86 -4.518 -8.203 3.783 451 HA ALA 86 HA ALA 86 -2.536 -9.797 2.371 452 1HB ALA 86 HB1 ALA 86 -5.035 -10.345 3.847 453 2HB ALA 86 HB2 ALA 86 -3.506 -11.224 3.836 454 3HB ALA 86 HB3 ALA 86 -4.653 -11.434 2.513 455 H LEU 87 HN LEU 87 -2.535 -8.559 0.406 456 HA LEU 87 HA LEU 87 -4.980 -8.504 -1.151 457 1HB LEU 87 HB2 LEU 87 -3.314 -6.599 -0.994 458 2HB LEU 87 HB1 LEU 87 -2.273 -7.562 -2.023 459 HG LEU 87 HG LEU 87 -4.082 -7.573 -3.747 460 1HD1 LEU 87 HD11 LEU 87 -5.699 -6.731 -1.711 461 2HD1 LEU 87 HD12 LEU 87 -6.088 -6.641 -3.428 462 3HD1 LEU 87 HD13 LEU 87 -5.411 -5.238 -2.603 463 1HD2 LEU 87 HD21 LEU 87 -2.788 -5.037 -2.815 464 2HD2 LEU 87 HD22 LEU 87 -3.806 -5.066 -4.255 465 3HD2 LEU 87 HD23 LEU 87 -2.359 -6.071 -4.178 466 H THR 88 HN THR 88 -5.098 -9.243 -3.329 467 HA THR 88 HA THR 88 -3.705 -11.785 -3.719 468 HB THR 88 HB THR 88 -5.746 -10.871 -5.666 469 HG1 THR 88 HG1 THR 88 -6.410 -11.537 -2.992 470 1HG2 THR 88 HG21 THR 88 -6.638 -13.202 -5.089 471 2HG2 THR 88 HG22 THR 88 -5.095 -13.430 -4.266 472 3HG2 THR 88 HG23 THR 88 -5.130 -13.079 -5.994 473 H PHE 89 HN PHE 89 -3.350 -12.213 -6.211 474 HA PHE 89 HA PHE 89 -1.985 -9.858 -7.336 475 1HB PHE 89 HB2 PHE 89 -0.972 -12.543 -6.730 476 2HB PHE 89 HB1 PHE 89 -0.613 -12.008 -8.361 477 HD1 PHE 89 HD1 PHE 89 0.665 -12.161 -5.188 478 HD2 PHE 89 HD2 PHE 89 0.180 -9.400 -8.389 479 HE1 PHE 89 HE1 PHE 89 2.566 -10.851 -4.339 480 HE2 PHE 89 HE2 PHE 89 2.081 -8.086 -7.544 481 HZ PHE 89 HZ PHE 89 3.277 -8.811 -5.519 482 HA PRO 90 HA PRO 90 -4.856 -10.939 -10.635 483 1HB PRO 90 HB2 PRO 90 -4.625 -8.669 -12.039 484 2HB PRO 90 HB1 PRO 90 -5.489 -8.719 -10.497 485 1HG PRO 90 HG2 PRO 90 -2.684 -7.817 -11.065 486 2HG PRO 90 HG1 PRO 90 -3.929 -7.031 -10.073 487 1HD PRO 90 HD2 PRO 90 -1.937 -8.556 -9.019 488 2HD PRO 90 HD1 PRO 90 -3.540 -8.409 -8.272 489 H SER 91 HN SER 91 -4.776 -11.269 -12.924 490 HA SER 91 HA SER 91 -2.400 -12.433 -13.854 491 1HB SER 91 HB2 SER 91 -5.081 -11.880 -14.945 492 2HB SER 91 HB1 SER 91 -3.801 -11.994 -16.152 493 HG SER 91 HG SER 91 -4.528 -14.046 -15.844 494 H ASP 92 HN ASP 92 -3.749 -9.239 -14.218 495 HA ASP 92 HA ASP 92 -2.435 -8.166 -16.338 496 1HB ASP 92 HB2 ASP 92 -3.019 -6.934 -13.648 497 2HB ASP 92 HB1 ASP 92 -2.386 -6.003 -15.002 498 H TYR 93 HN TYR 93 -1.011 -9.076 -13.274 499 HA TYR 93 HA TYR 93 1.346 -7.610 -13.364 500 1HB TYR 93 HB2 TYR 93 0.317 -9.624 -11.744 501 2HB TYR 93 HB1 TYR 93 1.823 -10.291 -12.373 502 HD1 TYR 93 HD1 TYR 93 0.414 -7.295 -10.678 503 HD2 TYR 93 HD2 TYR 93 3.874 -9.645 -11.449 504 HE1 TYR 93 HE1 TYR 93 1.682 -5.947 -9.059 505 HE2 TYR 93 HE2 TYR 93 5.151 -8.307 -9.828 506 HH TYR 93 HH TYR 93 5.055 -6.054 -8.818 507 H HIS 94 HN HIS 94 3.341 -7.894 -14.252 508 HA HIS 94 HA HIS 94 3.480 -9.110 -16.780 509 1HB HIS 94 HB2 HIS 94 5.585 -7.980 -14.946 510 2HB HIS 94 HB1 HIS 94 5.981 -8.646 -16.527 511 HD1 HIS 94 HD1 HIS 94 6.383 -5.634 -15.757 512 HD2 HIS 94 HD2 HIS 94 3.132 -7.172 -17.837 513 HE1 HIS 94 HE1 HIS 94 5.435 -3.696 -17.049 514 HE2 HIS 94 HE2 HIS 94 3.518 -4.669 -18.363 515 H VAL 95 HN VAL 95 4.003 -10.423 -13.634 516 HA VAL 95 HA VAL 95 5.516 -12.667 -14.736 517 HB VAL 95 HB VAL 95 6.348 -11.637 -12.659 518 1HG1 VAL 95 HG11 VAL 95 5.021 -11.184 -10.954 519 2HG1 VAL 95 HG12 VAL 95 4.494 -12.866 -10.853 520 3HG1 VAL 95 HG13 VAL 95 3.657 -11.737 -11.924 521 1HG2 VAL 95 HG21 VAL 95 6.493 -14.163 -13.343 522 2HG2 VAL 95 HG22 VAL 95 5.473 -14.392 -11.923 523 3HG2 VAL 95 HG23 VAL 95 7.056 -13.630 -11.759 524 H LYS 96 HN LYS 96 4.699 -14.578 -15.048 525 HA LYS 96 HA LYS 96 1.972 -15.094 -15.223 526 1HB LYS 96 HB2 LYS 96 4.319 -16.466 -15.842 527 2HB LYS 96 HB1 LYS 96 3.471 -17.531 -14.729 528 1HG LYS 96 HG2 LYS 96 1.807 -16.367 -16.852 529 2HG LYS 96 HG1 LYS 96 3.071 -17.471 -17.399 530 1HD LYS 96 HD2 LYS 96 1.933 -18.722 -15.181 531 2HD LYS 96 HD1 LYS 96 0.568 -18.044 -16.069 532 1HE LYS 96 HE2 LYS 96 0.696 -19.902 -17.312 533 2HE LYS 96 HE1 LYS 96 2.076 -19.116 -18.078 534 1HZ LYS 96 HZ1 LYS 96 3.283 -20.829 -17.398 535 2HZ LYS 96 HZ2 LYS 96 2.014 -21.454 -16.471 536 3HZ LYS 96 HZ3 LYS 96 3.067 -20.313 -15.801 537 H GLU 97 HN GLU 97 4.213 -15.834 -12.614 538 HA GLU 97 HA GLU 97 2.514 -17.385 -11.042 539 1HB GLU 97 HB2 GLU 97 4.941 -17.236 -10.711 540 2HB GLU 97 HB1 GLU 97 4.752 -15.589 -10.127 541 1HG GLU 97 HG2 GLU 97 4.176 -16.261 -8.086 542 2HG GLU 97 HG1 GLU 97 3.075 -17.491 -8.705 543 H LEU 98 HN LEU 98 3.046 -13.868 -10.933 544 HA LEU 98 HA LEU 98 1.189 -13.591 -8.760 545 1HB LEU 98 HB2 LEU 98 2.809 -11.670 -10.357 546 2HB LEU 98 HB1 LEU 98 1.494 -11.082 -9.376 547 HG LEU 98 HG LEU 98 2.682 -11.232 -7.508 548 1HD1 LEU 98 HD11 LEU 98 4.082 -13.223 -6.904 549 2HD1 LEU 98 HD12 LEU 98 3.569 -13.948 -8.428 550 3HD1 LEU 98 HD13 LEU 98 2.373 -13.555 -7.190 551 1HD2 LEU 98 HD21 LEU 98 5.101 -12.014 -9.088 552 2HD2 LEU 98 HD22 LEU 98 4.983 -10.921 -7.704 553 3HD2 LEU 98 HD23 LEU 98 4.356 -10.428 -9.278 554 H GLN 99 HN GLN 99 0.236 -14.724 -11.286 555 HA GLN 99 HA GLN 99 -1.643 -12.748 -12.241 556 1HB GLN 99 HB2 GLN 99 -1.193 -15.664 -12.905 557 2HB GLN 99 HB1 GLN 99 -2.519 -14.729 -13.581 558 1HG GLN 99 HG2 GLN 99 -0.770 -13.122 -14.449 559 2HG GLN 99 HG1 GLN 99 0.426 -14.335 -14.003 560 1HE2 GLN 99 HE21 GLN 99 -0.805 -16.654 -14.689 561 2HE2 GLN 99 HE22 GLN 99 -1.063 -16.709 -16.397 562 H SER 100 HN SER 100 -1.450 -15.554 -10.161 563 HA SER 100 HA SER 100 -4.063 -14.863 -9.014 564 1HB SER 100 HB2 SER 100 -3.263 -17.600 -10.017 565 2HB SER 100 HB1 SER 100 -4.591 -17.341 -8.885 566 HG SER 100 HG SER 100 -5.670 -16.175 -10.431 567 H LYS 101 HN LYS 101 -2.062 -14.015 -7.618 568 HA LYS 101 HA LYS 101 -1.405 -16.147 -5.693 569 1HB LYS 101 HB2 LYS 101 0.305 -14.367 -7.136 570 2HB LYS 101 HB1 LYS 101 0.473 -14.063 -5.413 571 1HG LYS 101 HG2 LYS 101 0.478 -16.897 -6.163 572 2HG LYS 101 HG1 LYS 101 1.834 -15.955 -6.786 573 1HD LYS 101 HD2 LYS 101 1.012 -15.801 -3.903 574 2HD LYS 101 HD1 LYS 101 2.092 -17.069 -4.486 575 1HE LYS 101 HE2 LYS 101 3.799 -15.604 -4.925 576 2HE LYS 101 HE1 LYS 101 2.707 -14.247 -5.197 577 1HZ LYS 101 HZ1 LYS 101 2.748 -15.320 -2.499 578 2HZ LYS 101 HZ2 LYS 101 2.688 -13.714 -3.025 579 3HZ LYS 101 HZ3 LYS 101 4.164 -14.538 -2.997 580 HA PRO 102 HA PRO 102 -3.654 -13.275 -2.943 581 1HB PRO 102 HB2 PRO 102 -3.939 -15.581 -1.203 582 2HB PRO 102 HB1 PRO 102 -5.198 -14.684 -2.053 583 1HG PRO 102 HG2 PRO 102 -4.499 -17.242 -2.678 584 2HG PRO 102 HG1 PRO 102 -5.171 -16.097 -3.852 585 1HD PRO 102 HD2 PRO 102 -2.323 -16.915 -3.419 586 2HD PRO 102 HD1 PRO 102 -3.196 -16.629 -4.939 587 H VAL 103 HN VAL 103 -1.650 -12.235 -2.471 588 HA VAL 103 HA VAL 103 0.082 -13.511 -0.490 589 HB VAL 103 HB VAL 103 0.950 -12.485 -2.636 590 1HG1 VAL 103 HG11 VAL 103 1.086 -9.835 -1.392 591 2HG1 VAL 103 HG12 VAL 103 -0.528 -10.315 -1.918 592 3HG1 VAL 103 HG13 VAL 103 0.807 -10.288 -3.073 593 1HG2 VAL 103 HG21 VAL 103 2.986 -12.146 -1.686 594 2HG2 VAL 103 HG22 VAL 103 2.166 -12.904 -0.320 595 3HG2 VAL 103 HG23 VAL 103 2.337 -11.149 -0.383 596 H THR 104 HN THR 104 1.049 -12.207 1.180 597 HA THR 104 HA THR 104 -0.853 -10.355 2.430 598 HB THR 104 HB THR 104 1.338 -11.312 4.105 599 HG1 THR 104 HG1 THR 104 0.384 -13.418 4.317 600 1HG2 THR 104 HG21 THR 104 -0.887 -12.123 5.352 601 2HG2 THR 104 HG22 THR 104 -1.552 -10.842 4.338 602 3HG2 THR 104 HG23 THR 104 -0.242 -10.486 5.464 603 H PHE 105 HN PHE 105 -0.333 -8.339 1.908 604 HA PHE 105 HA PHE 105 2.466 -7.639 1.502 605 1HB PHE 105 HB2 PHE 105 -0.121 -6.190 0.969 606 2HB PHE 105 HB1 PHE 105 1.447 -5.414 0.802 607 HD1 PHE 105 HD1 PHE 105 3.051 -7.547 -0.420 608 HD2 PHE 105 HD2 PHE 105 -0.960 -6.338 -1.158 609 HE1 PHE 105 HE1 PHE 105 3.224 -8.390 -2.726 610 HE2 PHE 105 HE2 PHE 105 -0.797 -7.181 -3.461 611 HZ PHE 105 HZ PHE 105 1.294 -8.205 -4.245 612 H GLU 106 HN GLU 106 3.649 -6.791 3.033 613 HA GLU 106 HA GLU 106 2.370 -5.438 5.307 614 1HB GLU 106 HB2 GLU 106 3.876 -6.984 6.211 615 2HB GLU 106 HB1 GLU 106 5.015 -6.799 4.887 616 1HG GLU 106 HG2 GLU 106 5.977 -4.917 5.794 617 2HG GLU 106 HG1 GLU 106 4.548 -4.516 6.746 618 H VAL 107 HN VAL 107 1.859 -3.580 4.041 619 HA VAL 107 HA VAL 107 4.055 -2.134 2.815 620 HB VAL 107 HB VAL 107 1.351 -0.921 2.899 621 1HG1 VAL 107 HG11 VAL 107 2.405 0.340 1.416 622 2HG1 VAL 107 HG12 VAL 107 2.390 -1.037 0.313 623 3HG1 VAL 107 HG13 VAL 107 3.780 -0.764 1.368 624 1HG2 VAL 107 HG21 VAL 107 1.941 -3.578 1.712 625 2HG2 VAL 107 HG22 VAL 107 0.989 -2.450 0.746 626 3HG2 VAL 107 HG23 VAL 107 0.428 -2.932 2.347 627 H VAL 108 HN VAL 108 5.294 -0.960 4.138 628 HA VAL 108 HA VAL 108 4.170 0.366 6.438 629 HB VAL 108 HB VAL 108 6.791 -0.426 5.460 630 1HG1 VAL 108 HG11 VAL 108 6.466 2.398 6.423 631 2HG1 VAL 108 HG12 VAL 108 7.465 1.773 5.110 632 3HG1 VAL 108 HG13 VAL 108 7.937 1.496 6.786 633 1HG2 VAL 108 HG21 VAL 108 5.530 -1.084 7.573 634 2HG2 VAL 108 HG22 VAL 108 6.086 0.450 8.241 635 3HG2 VAL 108 HG23 VAL 108 7.258 -0.762 7.724 636 H LEU 109 HN LEU 109 2.719 1.709 5.452 637 HA LEU 109 HA LEU 109 2.869 3.256 3.262 638 1HB LEU 109 HB2 LEU 109 1.115 2.921 5.286 639 2HB LEU 109 HB1 LEU 109 1.568 4.601 5.504 640 HG LEU 109 HG LEU 109 0.525 3.418 2.932 641 1HD1 LEU 109 HD11 LEU 109 -0.854 4.204 5.290 642 2HD1 LEU 109 HD12 LEU 109 -1.515 3.663 3.748 643 3HD1 LEU 109 HD13 LEU 109 -1.202 5.376 4.020 644 1HD2 LEU 109 HD21 LEU 109 0.183 6.069 2.702 645 2HD2 LEU 109 HD22 LEU 109 1.621 5.222 2.131 646 3HD2 LEU 109 HD23 LEU 109 1.642 6.041 3.693 647 H LYS 110 HN LYS 110 5.204 4.025 3.197 648 HA LYS 110 HA LYS 110 5.496 6.524 4.727 649 1HB LYS 110 HB2 LYS 110 7.407 4.501 3.746 650 2HB LYS 110 HB1 LYS 110 7.899 6.167 3.479 651 1HG LYS 110 HG2 LYS 110 7.169 6.363 6.032 652 2HG LYS 110 HG1 LYS 110 7.599 4.652 5.998 653 1HD LYS 110 HD2 LYS 110 9.803 5.232 5.091 654 2HD LYS 110 HD1 LYS 110 9.370 6.942 5.142 655 1HE LYS 110 HE2 LYS 110 9.715 7.090 7.358 656 2HE LYS 110 HE1 LYS 110 8.992 5.513 7.675 657 1HZ LYS 110 HZ1 LYS 110 11.059 4.484 6.892 658 2HZ LYS 110 HZ2 LYS 110 11.318 5.482 8.233 659 3HZ LYS 110 HZ3 LYS 110 11.747 6.016 6.686 660 H ALA 111 HN ALA 111 5.274 8.445 3.518 661 HA ALA 111 HA ALA 111 5.348 8.075 0.600 662 1HB ALA 111 HB1 ALA 111 3.261 9.694 2.013 663 2HB ALA 111 HB2 ALA 111 3.048 8.031 1.465 664 3HB ALA 111 HB3 ALA 111 3.353 9.314 0.293 665 H ILE 112 HN ILE 112 6.366 9.423 -0.553 666 HA ILE 112 HA ILE 112 7.251 12.017 0.538 667 HB ILE 112 HB ILE 112 8.456 10.279 -1.616 668 1HG1 ILE 112 HG12 ILE 112 9.811 11.214 0.894 669 2HG1 ILE 112 HG11 ILE 112 8.745 9.814 0.937 670 1HG2 ILE 112 HG21 ILE 112 8.975 13.111 -0.838 671 2HG2 ILE 112 HG22 ILE 112 8.958 12.367 -2.437 672 3HG2 ILE 112 HG23 ILE 112 10.324 12.099 -1.354 673 1HD1 ILE 112 HD11 ILE 112 10.159 8.854 -0.924 674 2HD1 ILE 112 HD12 ILE 112 10.919 8.975 0.662 675 3HD1 ILE 112 HD13 ILE 112 11.302 10.155 -0.592 676 H LYS 113 HN LYS 113 6.462 13.893 -0.583 677 HA LYS 113 HA LYS 113 4.896 13.335 -2.985 678 1HB LYS 113 HB2 LYS 113 4.973 15.754 -1.171 679 2HB LYS 113 HB1 LYS 113 3.964 15.616 -2.605 680 1HG LYS 113 HG2 LYS 113 2.641 13.932 -1.644 681 2HG LYS 113 HG1 LYS 113 3.804 13.643 -0.350 682 1HD LYS 113 HD2 LYS 113 2.924 16.399 -0.381 683 2HD LYS 113 HD1 LYS 113 1.557 15.291 -0.256 684 1HE LYS 113 HE2 LYS 113 3.532 14.303 1.483 685 2HE LYS 113 HE1 LYS 113 3.480 16.046 1.739 686 1HZ LYS 113 HZ1 LYS 113 1.475 14.025 2.318 687 2HZ LYS 113 HZ2 LYS 113 0.886 15.485 1.700 688 3HZ LYS 113 HZ3 LYS 113 1.811 15.479 3.116 Start of MODEL 5 1 H LYS 29 HN LYS 29 -8.801 9.650 3.930 2 HA LYS 29 HA LYS 29 -8.278 8.019 2.442 3 1HB LYS 29 HB2 LYS 29 -10.641 9.114 0.905 4 2HB LYS 29 HB1 LYS 29 -9.822 7.598 0.560 5 1HG LYS 29 HG2 LYS 29 -10.399 7.080 3.065 6 2HG LYS 29 HG1 LYS 29 -11.642 8.304 2.801 7 1HD LYS 29 HD2 LYS 29 -11.338 6.164 0.762 8 2HD LYS 29 HD1 LYS 29 -12.075 5.735 2.306 9 1HE LYS 29 HE2 LYS 29 -13.951 6.910 1.883 10 2HE LYS 29 HE1 LYS 29 -13.076 8.216 1.085 11 1HZ LYS 29 HZ1 LYS 29 -14.277 5.826 -0.045 12 2HZ LYS 29 HZ2 LYS 29 -12.776 6.262 -0.692 13 3HZ LYS 29 HZ3 LYS 29 -14.062 7.359 -0.728 14 H LEU 30 HN LEU 30 -6.342 8.435 1.586 15 HA LEU 30 HA LEU 30 -5.912 10.623 -0.251 16 1HB LEU 30 HB2 LEU 30 -4.221 9.911 1.432 17 2HB LEU 30 HB1 LEU 30 -4.044 8.396 0.566 18 HG LEU 30 HG LEU 30 -3.549 10.130 -1.442 19 1HD1 LEU 30 HD11 LEU 30 -2.381 12.029 -0.757 20 2HD1 LEU 30 HD12 LEU 30 -2.230 11.452 0.902 21 3HD1 LEU 30 HD13 LEU 30 -3.795 11.996 0.297 22 1HD2 LEU 30 HD21 LEU 30 -1.438 9.318 0.539 23 2HD2 LEU 30 HD22 LEU 30 -1.264 9.551 -1.200 24 3HD2 LEU 30 HD23 LEU 30 -2.196 8.188 -0.582 25 H ALA 31 HN ALA 31 -7.066 10.209 -2.109 26 HA ALA 31 HA ALA 31 -6.931 7.639 -3.382 27 1HB ALA 31 HB1 ALA 31 -8.112 10.187 -4.461 28 2HB ALA 31 HB2 ALA 31 -8.958 9.044 -3.415 29 3HB ALA 31 HB3 ALA 31 -8.427 8.543 -5.019 30 H ASN 32 HN ASN 32 -6.857 8.331 -6.066 31 HA ASN 32 HA ASN 32 -4.207 8.020 -6.714 32 1HB ASN 32 HB2 ASN 32 -6.308 9.319 -8.453 33 2HB ASN 32 HB1 ASN 32 -4.831 8.539 -9.008 34 1HD2 ASN 32 HD21 ASN 32 -4.589 6.231 -8.310 35 2HD2 ASN 32 HD22 ASN 32 -6.004 5.242 -8.375 36 H GLY 33 HN GLY 33 -3.392 9.713 -8.615 37 1HA GLY 33 HA2 GLY 33 -2.177 11.606 -8.967 38 2HA GLY 33 HA1 GLY 33 -3.484 12.454 -8.178 39 H ASP 34 HN ASP 34 -2.051 10.161 -6.120 40 HA ASP 34 HA ASP 34 -0.315 12.231 -4.939 41 1HB ASP 34 HB2 ASP 34 -2.117 10.203 -3.631 42 2HB ASP 34 HB1 ASP 34 -0.802 10.981 -2.755 43 H ILE 35 HN ILE 35 1.431 11.264 -3.499 44 HA ILE 35 HA ILE 35 2.564 8.888 -4.828 45 HB ILE 35 HB ILE 35 3.971 10.966 -3.177 46 1HG1 ILE 35 HG12 ILE 35 4.997 11.644 -5.337 47 2HG1 ILE 35 HG11 ILE 35 3.862 10.578 -6.159 48 1HG2 ILE 35 HG21 ILE 35 5.361 9.053 -4.959 49 2HG2 ILE 35 HG22 ILE 35 4.843 8.528 -3.358 50 3HG2 ILE 35 HG23 ILE 35 5.949 9.891 -3.524 51 1HD1 ILE 35 HD11 ILE 35 3.448 13.191 -5.801 52 2HD1 ILE 35 HD12 ILE 35 2.697 12.573 -4.330 53 3HD1 ILE 35 HD13 ILE 35 2.141 12.011 -5.906 54 H ALA 36 HN ALA 36 2.404 6.996 -3.591 55 HA ALA 36 HA ALA 36 2.012 7.345 -0.714 56 1HB ALA 36 HB1 ALA 36 0.630 5.567 -0.739 57 2HB ALA 36 HB2 ALA 36 1.541 4.730 -1.996 58 3HB ALA 36 HB3 ALA 36 0.452 6.048 -2.427 59 H ILE 37 HN ILE 37 3.971 7.215 0.320 60 HA ILE 37 HA ILE 37 5.977 5.316 -0.548 61 HB ILE 37 HB ILE 37 7.094 7.150 0.267 62 1HG1 ILE 37 HG12 ILE 37 6.960 5.001 2.257 63 2HG1 ILE 37 HG11 ILE 37 8.353 5.790 1.542 64 1HG2 ILE 37 HG21 ILE 37 6.451 8.492 2.205 65 2HG2 ILE 37 HG22 ILE 37 5.072 7.430 2.469 66 3HG2 ILE 37 HG23 ILE 37 5.170 8.401 1.000 67 1HD1 ILE 37 HD11 ILE 37 6.699 6.973 3.750 68 2HD1 ILE 37 HD12 ILE 37 8.239 7.563 3.127 69 3HD1 ILE 37 HD13 ILE 37 8.169 6.032 4.000 70 H ILE 38 HN ILE 38 4.691 3.480 -0.355 71 HA ILE 38 HA ILE 38 3.781 2.750 2.305 72 HB ILE 38 HB ILE 38 3.032 0.643 0.781 73 1HG1 ILE 38 HG12 ILE 38 2.071 1.594 -1.306 74 2HG1 ILE 38 HG11 ILE 38 2.957 3.082 -1.008 75 1HG2 ILE 38 HG21 ILE 38 1.282 1.419 1.932 76 2HG2 ILE 38 HG22 ILE 38 0.932 2.368 0.487 77 3HG2 ILE 38 HG23 ILE 38 1.834 3.089 1.818 78 1HD1 ILE 38 HD11 ILE 38 4.204 1.886 -2.593 79 2HD1 ILE 38 HD12 ILE 38 4.043 0.376 -1.698 80 3HD1 ILE 38 HD13 ILE 38 5.058 1.672 -1.066 81 H ASP 39 HN ASP 39 4.760 1.360 3.608 82 HA ASP 39 HA ASP 39 7.058 -0.171 2.649 83 1HB ASP 39 HB2 ASP 39 5.947 0.092 5.455 84 2HB ASP 39 HB1 ASP 39 7.470 -0.666 5.012 85 H PHE 40 HN PHE 40 5.934 -1.555 1.352 86 HA PHE 40 HA PHE 40 3.987 -3.312 2.638 87 1HB PHE 40 HB2 PHE 40 3.297 -4.030 0.446 88 2HB PHE 40 HB1 PHE 40 3.401 -2.280 0.457 89 HD1 PHE 40 HD1 PHE 40 4.937 -1.115 -0.932 90 HD2 PHE 40 HD2 PHE 40 4.964 -5.367 -0.776 91 HE1 PHE 40 HE1 PHE 40 6.337 -1.174 -2.954 92 HE2 PHE 40 HE2 PHE 40 6.373 -5.435 -2.792 93 HZ PHE 40 HZ PHE 40 7.059 -3.337 -3.886 94 H THR 41 HN THR 41 4.626 -5.110 3.530 95 HA THR 41 HA THR 41 7.103 -6.383 2.681 96 HB THR 41 HB THR 41 5.570 -7.606 4.874 97 HG1 THR 41 HG1 THR 41 6.085 -5.881 6.296 98 1HG2 THR 41 HG21 THR 41 8.375 -6.530 4.762 99 2HG2 THR 41 HG22 THR 41 7.904 -8.191 4.401 100 3HG2 THR 41 HG23 THR 41 7.682 -7.544 6.027 101 H GLY 42 HN GLY 42 7.059 -7.963 1.226 102 1HA GLY 42 HA2 GLY 42 4.693 -9.267 0.333 103 2HA GLY 42 HA1 GLY 42 6.347 -9.673 -0.102 104 H ILE 43 HN ILE 43 3.894 -10.113 2.413 105 HA ILE 43 HA ILE 43 5.328 -12.399 3.495 106 HB ILE 43 HB ILE 43 2.555 -12.042 4.358 107 1HG1 ILE 43 HG12 ILE 43 4.377 -9.734 4.290 108 2HG1 ILE 43 HG11 ILE 43 2.624 -9.787 4.471 109 1HG2 ILE 43 HG21 ILE 43 5.194 -12.299 5.782 110 2HG2 ILE 43 HG22 ILE 43 4.013 -13.573 5.478 111 3HG2 ILE 43 HG23 ILE 43 3.624 -12.260 6.585 112 1HD1 ILE 43 HD11 ILE 43 2.909 -10.336 6.837 113 2HD1 ILE 43 HD12 ILE 43 3.678 -8.805 6.417 114 3HD1 ILE 43 HD13 ILE 43 4.659 -10.255 6.637 115 H VAL 44 HN VAL 44 5.084 -14.388 2.708 116 HA VAL 44 HA VAL 44 2.833 -14.934 0.934 117 HB VAL 44 HB VAL 44 5.052 -15.507 0.108 118 1HG1 VAL 44 HG11 VAL 44 6.571 -16.813 1.178 119 2HG1 VAL 44 HG12 VAL 44 5.338 -17.793 1.970 120 3HG1 VAL 44 HG13 VAL 44 5.726 -16.191 2.595 121 1HG2 VAL 44 HG21 VAL 44 4.308 -17.330 -0.985 122 2HG2 VAL 44 HG22 VAL 44 2.812 -17.004 -0.109 123 3HG2 VAL 44 HG23 VAL 44 3.949 -18.206 0.503 124 H ASP 45 HN ASP 45 1.366 -14.930 2.835 125 HA ASP 45 HA ASP 45 0.058 -15.987 4.369 126 1HB ASP 45 HB2 ASP 45 -0.116 -17.505 2.333 127 2HB ASP 45 HB1 ASP 45 1.036 -18.562 3.144 128 H ASN 46 HN ASN 46 1.597 -15.268 6.037 129 HA ASN 46 HA ASN 46 2.409 -15.799 8.126 130 1HB ASN 46 HB2 ASN 46 2.952 -18.612 7.197 131 2HB ASN 46 HB1 ASN 46 2.866 -18.019 8.850 132 1HD2 ASN 46 HD21 ASN 46 1.382 -19.968 8.828 133 2HD2 ASN 46 HD22 ASN 46 -0.289 -19.655 8.518 134 H LYS 47 HN LYS 47 4.072 -16.881 5.227 135 HA LYS 47 HA LYS 47 6.613 -16.531 6.570 136 1HB LYS 47 HB2 LYS 47 5.700 -17.936 4.222 137 2HB LYS 47 HB1 LYS 47 7.070 -16.912 3.816 138 1HG LYS 47 HG2 LYS 47 8.097 -18.879 4.403 139 2HG LYS 47 HG1 LYS 47 8.162 -17.970 5.914 140 1HD LYS 47 HD2 LYS 47 5.801 -19.195 6.243 141 2HD LYS 47 HD1 LYS 47 6.598 -20.382 5.208 142 1HE LYS 47 HE2 LYS 47 8.579 -19.898 6.952 143 2HE LYS 47 HE1 LYS 47 7.190 -19.578 7.989 144 1HZ LYS 47 HZ1 LYS 47 7.059 -22.005 6.395 145 2HZ LYS 47 HZ2 LYS 47 6.588 -21.734 7.997 146 3HZ LYS 47 HZ3 LYS 47 8.217 -21.997 7.628 147 H LYS 48 HN LYS 48 7.987 -14.839 6.297 148 HA LYS 48 HA LYS 48 7.077 -12.675 4.509 149 1HB LYS 48 HB2 LYS 48 6.797 -12.137 6.910 150 2HB LYS 48 HB1 LYS 48 8.517 -12.399 7.157 151 1HG LYS 48 HG2 LYS 48 8.952 -10.566 5.518 152 2HG LYS 48 HG1 LYS 48 7.217 -10.242 5.514 153 1HD LYS 48 HD2 LYS 48 7.422 -9.019 7.360 154 2HD LYS 48 HD1 LYS 48 8.108 -10.399 8.219 155 1HE LYS 48 HE2 LYS 48 9.964 -9.061 6.385 156 2HE LYS 48 HE1 LYS 48 9.410 -8.055 7.723 157 1HZ LYS 48 HZ1 LYS 48 10.057 -9.937 9.215 158 2HZ LYS 48 HZ2 LYS 48 11.349 -9.167 8.442 159 3HZ LYS 48 HZ3 LYS 48 10.803 -10.667 7.883 160 H LEU 49 HN LEU 49 8.417 -13.300 2.790 161 HA LEU 49 HA LEU 49 11.272 -13.563 3.255 162 1HB LEU 49 HB2 LEU 49 11.329 -13.888 0.732 163 2HB LEU 49 HB1 LEU 49 10.525 -15.116 1.683 164 HG LEU 49 HG LEU 49 9.459 -14.319 -0.536 165 1HD1 LEU 49 HD11 LEU 49 7.161 -14.270 0.969 166 2HD1 LEU 49 HD12 LEU 49 8.304 -15.128 2.002 167 3HD1 LEU 49 HD13 LEU 49 7.984 -15.709 0.368 168 1HD2 LEU 49 HD21 LEU 49 8.622 -12.094 1.317 169 2HD2 LEU 49 HD22 LEU 49 7.850 -12.461 -0.225 170 3HD2 LEU 49 HD23 LEU 49 9.535 -11.945 -0.183 171 H ALA 50 HN ALA 50 12.585 -12.468 1.287 172 HA ALA 50 HA ALA 50 12.202 -9.611 1.708 173 1HB ALA 50 HB1 ALA 50 14.421 -10.713 2.052 174 2HB ALA 50 HB2 ALA 50 14.445 -9.335 0.952 175 3HB ALA 50 HB3 ALA 50 14.492 -10.977 0.309 176 H SER 51 HN SER 51 11.464 -11.923 -0.655 177 HA SER 51 HA SER 51 11.896 -10.738 -3.082 178 1HB SER 51 HB2 SER 51 10.071 -12.723 -2.030 179 2HB SER 51 HB1 SER 51 9.298 -11.762 -3.290 180 HG SER 51 HG SER 51 11.794 -13.097 -3.517 181 H ALA 52 HN ALA 52 8.603 -10.554 -1.809 182 HA ALA 52 HA ALA 52 8.317 -7.992 -3.099 183 1HB ALA 52 HB1 ALA 52 6.563 -10.113 -2.336 184 2HB ALA 52 HB2 ALA 52 6.252 -8.741 -3.399 185 3HB ALA 52 HB3 ALA 52 5.966 -8.594 -1.664 186 H SER 53 HN SER 53 10.012 -8.280 -0.630 187 HA SER 53 HA SER 53 8.542 -6.863 1.419 188 1HB SER 53 HB2 SER 53 10.453 -7.167 2.799 189 2HB SER 53 HB1 SER 53 10.283 -8.657 1.873 190 HG SER 53 HG SER 53 11.843 -7.664 0.381 191 H ALA 54 HN ALA 54 8.075 -4.829 0.742 192 HA ALA 54 HA ALA 54 10.366 -3.096 0.095 193 1HB ALA 54 HB1 ALA 54 7.530 -2.831 -0.841 194 2HB ALA 54 HB2 ALA 54 8.911 -3.317 -1.823 195 3HB ALA 54 HB3 ALA 54 8.824 -1.678 -1.167 196 H GLN 55 HN GLN 55 10.708 -1.385 1.286 197 HA GLN 55 HA GLN 55 8.954 -0.880 3.554 198 1HB GLN 55 HB2 GLN 55 11.696 0.212 2.938 199 2HB GLN 55 HB1 GLN 55 10.823 0.389 4.455 200 1HG GLN 55 HG2 GLN 55 12.388 -1.311 4.821 201 2HG GLN 55 HG1 GLN 55 10.839 -2.127 4.616 202 1HE2 GLN 55 HE21 GLN 55 11.585 -4.060 3.911 203 2HE2 GLN 55 HE22 GLN 55 12.433 -4.286 2.422 204 H ASN 56 HN ASN 56 10.402 1.819 3.438 205 HA ASN 56 HA ASN 56 8.234 3.409 2.605 206 1HB ASN 56 HB2 ASN 56 11.122 4.300 2.791 207 2HB ASN 56 HB1 ASN 56 9.687 5.313 2.914 208 1HD2 ASN 56 HD21 ASN 56 8.093 4.137 4.637 209 2HD2 ASN 56 HD22 ASN 56 8.847 3.923 6.176 210 H TYR 57 HN TYR 57 7.854 2.316 0.538 211 HA TYR 57 HA TYR 57 9.713 3.014 -1.602 212 1HB TYR 57 HB2 TYR 57 8.788 0.705 -1.480 213 2HB TYR 57 HB1 TYR 57 7.176 1.370 -1.725 214 HD1 TYR 57 HD1 TYR 57 6.795 2.725 -3.892 215 HD2 TYR 57 HD2 TYR 57 10.088 0.095 -3.311 216 HE1 TYR 57 HE1 TYR 57 7.105 2.585 -6.328 217 HE2 TYR 57 HE2 TYR 57 10.408 -0.052 -5.745 218 HH TYR 57 HH TYR 57 8.260 0.632 -7.927 219 H GLU 58 HN GLU 58 9.483 5.081 -2.183 220 HA GLU 58 HA GLU 58 7.100 6.558 -2.086 221 1HB GLU 58 HB2 GLU 58 9.302 7.155 -4.047 222 2HB GLU 58 HB1 GLU 58 8.258 8.281 -3.189 223 1HG GLU 58 HG2 GLU 58 9.831 8.541 -1.665 224 2HG GLU 58 HG1 GLU 58 9.663 6.842 -1.225 225 H LEU 59 HN LEU 59 5.492 5.317 -2.999 226 HA LEU 59 HA LEU 59 5.662 4.713 -5.852 227 1HB LEU 59 HB2 LEU 59 4.858 2.926 -4.430 228 2HB LEU 59 HB1 LEU 59 3.632 3.970 -3.744 229 HG LEU 59 HG LEU 59 2.344 3.943 -5.759 230 1HD1 LEU 59 HD11 LEU 59 4.793 3.594 -7.055 231 2HD1 LEU 59 HD12 LEU 59 3.198 3.661 -7.799 232 3HD1 LEU 59 HD13 LEU 59 3.900 2.106 -7.359 233 1HD2 LEU 59 HD21 LEU 59 3.395 1.281 -4.904 234 2HD2 LEU 59 HD22 LEU 59 2.166 1.426 -6.160 235 3HD2 LEU 59 HD23 LEU 59 1.847 2.042 -4.539 236 H THR 60 HN THR 60 3.969 5.399 -7.289 237 HA THR 60 HA THR 60 2.708 7.922 -6.424 238 HB THR 60 HB THR 60 2.774 7.376 -9.318 239 HG1 THR 60 HG1 THR 60 5.225 7.814 -7.958 240 1HG2 THR 60 HG21 THR 60 2.452 9.595 -7.837 241 2HG2 THR 60 HG22 THR 60 2.996 9.597 -9.515 242 3HG2 THR 60 HG23 THR 60 4.172 9.708 -8.206 243 H ILE 61 HN ILE 61 0.556 7.565 -5.963 244 HA ILE 61 HA ILE 61 -0.767 5.318 -7.211 245 HB ILE 61 HB ILE 61 -2.736 6.199 -5.769 246 1HG1 ILE 61 HG12 ILE 61 -0.391 7.578 -4.434 247 2HG1 ILE 61 HG11 ILE 61 -1.735 8.390 -5.228 248 1HG2 ILE 61 HG21 ILE 61 -1.180 5.241 -3.717 249 2HG2 ILE 61 HG22 ILE 61 -0.362 4.631 -5.158 250 3HG2 ILE 61 HG23 ILE 61 -2.064 4.261 -4.890 251 1HD1 ILE 61 HD11 ILE 61 -1.772 8.257 -2.699 252 2HD1 ILE 61 HD12 ILE 61 -2.133 6.543 -2.901 253 3HD1 ILE 61 HD13 ILE 61 -3.236 7.759 -3.543 254 H GLY 62 HN GLY 62 -1.255 5.715 -9.236 255 1HA GLY 62 HA2 GLY 62 -3.277 6.685 -10.435 256 2HA GLY 62 HA1 GLY 62 -2.636 8.233 -9.892 257 H SER 63 HN SER 63 -0.334 5.816 -10.716 258 HA SER 63 HA SER 63 0.333 7.310 -13.148 259 1HB SER 63 HB2 SER 63 1.933 5.917 -11.075 260 2HB SER 63 HB1 SER 63 2.529 5.808 -12.732 261 HG SER 63 HG SER 63 2.651 8.024 -12.820 262 H ASN 64 HN ASN 64 -0.642 4.210 -11.954 263 HA ASN 64 HA ASN 64 -1.429 2.388 -13.075 264 1HB ASN 64 HB2 ASN 64 -1.525 4.333 -15.049 265 2HB ASN 64 HB1 ASN 64 -0.572 3.048 -15.785 266 1HD2 ASN 64 HD21 ASN 64 -3.066 3.796 -16.722 267 2HD2 ASN 64 HD22 ASN 64 -4.176 2.497 -16.463 268 H SER 65 HN SER 65 1.407 2.878 -12.206 269 HA SER 65 HA SER 65 2.861 1.094 -14.009 270 1HB SER 65 HB2 SER 65 4.814 1.661 -12.477 271 2HB SER 65 HB1 SER 65 4.144 3.007 -13.399 272 HG SER 65 HG SER 65 4.334 3.729 -11.333 273 H PHE 66 HN PHE 66 1.295 1.088 -10.927 274 HA PHE 66 HA PHE 66 2.566 -1.432 -10.166 275 1HB PHE 66 HB2 PHE 66 1.515 0.757 -8.710 276 2HB PHE 66 HB1 PHE 66 0.489 -0.628 -8.350 277 HD1 PHE 66 HD1 PHE 66 4.059 0.405 -8.489 278 HD2 PHE 66 HD2 PHE 66 1.148 -2.173 -6.758 279 HE1 PHE 66 HE1 PHE 66 5.742 -0.420 -6.896 280 HE2 PHE 66 HE2 PHE 66 2.826 -3.002 -5.161 281 HZ PHE 66 HZ PHE 66 5.127 -2.126 -5.229 282 H ILE 67 HN ILE 67 1.244 -3.284 -9.560 283 HA ILE 67 HA ILE 67 -0.582 -4.025 -11.522 284 HB ILE 67 HB ILE 67 -1.202 -5.911 -10.067 285 1HG1 ILE 67 HG12 ILE 67 0.533 -4.517 -8.012 286 2HG1 ILE 67 HG11 ILE 67 -1.210 -4.753 -7.907 287 1HG2 ILE 67 HG21 ILE 67 0.915 -5.824 -11.428 288 2HG2 ILE 67 HG22 ILE 67 0.909 -6.978 -10.095 289 3HG2 ILE 67 HG23 ILE 67 1.765 -5.445 -9.931 290 1HD1 ILE 67 HD11 ILE 67 -0.995 -6.850 -7.169 291 2HD1 ILE 67 HD12 ILE 67 0.662 -6.378 -6.796 292 3HD1 ILE 67 HD13 ILE 67 0.305 -7.223 -8.302 293 H LYS 68 HN LYS 68 -2.887 -4.575 -11.274 294 HA LYS 68 HA LYS 68 -4.317 -2.340 -10.161 295 1HB LYS 68 HB2 LYS 68 -4.750 -4.184 -12.236 296 2HB LYS 68 HB1 LYS 68 -6.029 -4.482 -11.067 297 1HG LYS 68 HG2 LYS 68 -5.540 -1.653 -11.689 298 2HG LYS 68 HG1 LYS 68 -6.150 -2.630 -13.025 299 1HD LYS 68 HD2 LYS 68 -8.188 -2.801 -12.110 300 2HD LYS 68 HD1 LYS 68 -7.534 -3.130 -10.504 301 1HE LYS 68 HE2 LYS 68 -7.076 -0.714 -10.240 302 2HE LYS 68 HE1 LYS 68 -7.835 -0.426 -11.805 303 1HZ LYS 68 HZ1 LYS 68 -9.883 -0.690 -10.954 304 2HZ LYS 68 HZ2 LYS 68 -9.136 -0.318 -9.484 305 3HZ LYS 68 HZ3 LYS 68 -9.423 -1.931 -9.901 306 H GLY 69 HN GLY 69 -5.052 -2.228 -8.147 307 1HA GLY 69 HA2 GLY 69 -6.590 -3.275 -6.519 308 2HA GLY 69 HA1 GLY 69 -5.673 -4.757 -6.751 309 H PHE 70 HN PHE 70 -3.141 -3.167 -6.861 310 HA PHE 70 HA PHE 70 -2.589 -3.249 -4.042 311 1HB PHE 70 HB2 PHE 70 -0.988 -4.034 -5.791 312 2HB PHE 70 HB1 PHE 70 -0.782 -2.363 -6.301 313 HD1 PHE 70 HD1 PHE 70 0.068 -0.699 -4.556 314 HD2 PHE 70 HD2 PHE 70 0.314 -4.921 -4.097 315 HE1 PHE 70 HE1 PHE 70 1.839 -0.409 -2.872 316 HE2 PHE 70 HE2 PHE 70 2.082 -4.640 -2.413 317 HZ PHE 70 HZ PHE 70 2.843 -2.382 -1.797 318 H GLU 71 HN GLU 71 -1.658 -0.699 -6.345 319 HA GLU 71 HA GLU 71 -1.304 1.375 -4.615 320 1HB GLU 71 HB2 GLU 71 -2.234 1.240 -7.451 321 2HB GLU 71 HB1 GLU 71 -2.274 2.792 -6.625 322 1HG GLU 71 HG2 GLU 71 0.137 2.486 -6.083 323 2HG GLU 71 HG1 GLU 71 0.127 1.044 -7.095 324 H THR 72 HN THR 72 -4.359 0.089 -5.797 325 HA THR 72 HA THR 72 -6.010 2.210 -4.912 326 HB THR 72 HB THR 72 -6.964 -0.620 -5.179 327 HG1 THR 72 HG1 THR 72 -6.525 -0.645 -7.226 328 1HG2 THR 72 HG21 THR 72 -8.302 1.702 -6.437 329 2HG2 THR 72 HG22 THR 72 -8.411 1.533 -4.685 330 3HG2 THR 72 HG23 THR 72 -8.987 0.237 -5.734 331 H GLY 73 HN GLY 73 -4.895 -0.757 -3.357 332 1HA GLY 73 HA2 GLY 73 -6.683 -0.627 -1.154 333 2HA GLY 73 HA1 GLY 73 -5.196 -1.557 -1.218 334 H LEU 74 HN LEU 74 -3.636 0.933 -1.795 335 HA LEU 74 HA LEU 74 -3.323 1.715 0.998 336 1HB LEU 74 HB2 LEU 74 -1.663 2.520 -1.393 337 2HB LEU 74 HB1 LEU 74 -1.248 2.757 0.295 338 HG LEU 74 HG LEU 74 0.038 0.916 -0.361 339 1HD1 LEU 74 HD11 LEU 74 -1.103 -1.079 0.716 340 2HD1 LEU 74 HD12 LEU 74 -2.478 -0.016 0.991 341 3HD1 LEU 74 HD13 LEU 74 -0.915 0.360 1.715 342 1HD2 LEU 74 HD21 LEU 74 -1.570 0.647 -2.449 343 2HD2 LEU 74 HD22 LEU 74 -2.205 -0.670 -1.463 344 3HD2 LEU 74 HD23 LEU 74 -0.500 -0.647 -1.912 345 H ILE 75 HN ILE 75 -4.390 3.095 -2.033 346 HA ILE 75 HA ILE 75 -4.333 5.810 -1.196 347 HB ILE 75 HB ILE 75 -5.703 6.326 -3.112 348 1HG1 ILE 75 HG12 ILE 75 -6.104 3.347 -3.377 349 2HG1 ILE 75 HG11 ILE 75 -7.341 4.528 -2.964 350 1HG2 ILE 75 HG21 ILE 75 -4.236 4.419 -4.605 351 2HG2 ILE 75 HG22 ILE 75 -3.256 4.924 -3.228 352 3HG2 ILE 75 HG23 ILE 75 -3.897 6.126 -4.348 353 1HD1 ILE 75 HD11 ILE 75 -6.859 5.591 -5.214 354 2HD1 ILE 75 HD12 ILE 75 -7.676 4.028 -5.224 355 3HD1 ILE 75 HD13 ILE 75 -5.954 4.125 -5.588 356 H ALA 76 HN ALA 76 -6.924 3.407 -1.276 357 HA ALA 76 HA ALA 76 -9.051 5.001 -0.536 358 1HB ALA 76 HB1 ALA 76 -10.234 3.088 -0.416 359 2HB ALA 76 HB2 ALA 76 -9.044 2.284 0.607 360 3HB ALA 76 HB3 ALA 76 -8.779 2.395 -1.132 361 H MET 77 HN MET 77 -6.394 3.957 1.436 362 HA MET 77 HA MET 77 -7.880 4.826 3.834 363 1HB MET 77 HB2 MET 77 -5.867 2.727 3.381 364 2HB MET 77 HB1 MET 77 -5.605 3.688 4.830 365 1HG MET 77 HG2 MET 77 -8.132 2.208 4.135 366 2HG MET 77 HG1 MET 77 -6.909 1.681 5.289 367 1HE MET 77 HE1 MET 77 -9.816 3.768 4.409 368 2HE MET 77 HE2 MET 77 -10.387 4.428 5.942 369 3HE MET 77 HE3 MET 77 -10.412 2.686 5.668 370 H LYS 78 HN LYS 78 -6.355 5.792 5.565 371 HA LYS 78 HA LYS 78 -5.193 8.142 4.384 372 1HB LYS 78 HB2 LYS 78 -6.464 7.649 6.749 373 2HB LYS 78 HB1 LYS 78 -4.784 7.693 7.267 374 1HG LYS 78 HG2 LYS 78 -4.555 9.906 6.180 375 2HG LYS 78 HG1 LYS 78 -6.280 9.860 5.810 376 1HD LYS 78 HD2 LYS 78 -6.799 9.735 8.188 377 2HD LYS 78 HD1 LYS 78 -5.077 9.729 8.575 378 1HE LYS 78 HE2 LYS 78 -5.402 11.948 8.818 379 2HE LYS 78 HE1 LYS 78 -5.210 11.952 7.065 380 1HZ LYS 78 HZ1 LYS 78 -7.189 13.182 7.935 381 2HZ LYS 78 HZ2 LYS 78 -7.844 11.694 8.401 382 3HZ LYS 78 HZ3 LYS 78 -7.539 12.009 6.767 383 H VAL 79 HN VAL 79 -3.102 8.582 6.392 384 HA VAL 79 HA VAL 79 -1.075 6.802 5.251 385 HB VAL 79 HB VAL 79 -0.948 9.598 6.389 386 1HG1 VAL 79 HG11 VAL 79 1.350 7.796 5.670 387 2HG1 VAL 79 HG12 VAL 79 0.996 8.485 7.250 388 3HG1 VAL 79 HG13 VAL 79 1.489 9.533 5.920 389 1HG2 VAL 79 HG21 VAL 79 -0.347 8.423 3.684 390 2HG2 VAL 79 HG22 VAL 79 0.037 10.081 4.147 391 3HG2 VAL 79 HG23 VAL 79 -1.642 9.543 4.108 392 H ASN 80 HN ASN 80 0.736 6.233 6.720 393 HA ASN 80 HA ASN 80 1.592 5.349 8.633 394 1HB ASN 80 HB2 ASN 80 1.060 7.641 9.545 395 2HB ASN 80 HB1 ASN 80 -0.463 6.981 10.131 396 1HD2 ASN 80 HD21 ASN 80 2.890 5.819 10.095 397 2HD2 ASN 80 HD22 ASN 80 2.972 5.488 11.788 398 H GLN 81 HN GLN 81 -0.946 4.346 7.236 399 HA GLN 81 HA GLN 81 -2.082 2.781 9.451 400 1HB GLN 81 HB2 GLN 81 -3.098 3.019 6.616 401 2HB GLN 81 HB1 GLN 81 -3.936 2.290 7.980 402 1HG GLN 81 HG2 GLN 81 -3.204 4.986 8.614 403 2HG GLN 81 HG1 GLN 81 -4.079 4.939 7.084 404 1HE2 GLN 81 HE21 GLN 81 -5.823 2.893 7.474 405 2HE2 GLN 81 HE22 GLN 81 -6.923 3.284 8.747 406 H LYS 82 HN LYS 82 -1.548 0.709 9.709 407 HA LYS 82 HA LYS 82 0.093 -0.586 7.685 408 1HB LYS 82 HB2 LYS 82 0.613 -0.608 10.185 409 2HB LYS 82 HB1 LYS 82 -0.724 -1.739 10.348 410 1HG LYS 82 HG2 LYS 82 0.375 -3.392 9.103 411 2HG LYS 82 HG1 LYS 82 1.552 -2.245 8.462 412 1HD LYS 82 HD2 LYS 82 2.906 -2.977 10.085 413 2HD LYS 82 HD1 LYS 82 1.903 -2.024 11.180 414 1HE LYS 82 HE2 LYS 82 0.842 -3.853 12.020 415 2HE LYS 82 HE1 LYS 82 0.954 -4.747 10.505 416 1HZ LYS 82 HZ1 LYS 82 3.373 -4.203 12.099 417 2HZ LYS 82 HZ2 LYS 82 3.096 -5.434 10.973 418 3HZ LYS 82 HZ3 LYS 82 2.363 -5.502 12.495 419 H LYS 83 HN LYS 83 -1.325 -1.099 6.050 420 HA LYS 83 HA LYS 83 -3.644 -2.747 6.706 421 1HB LYS 83 HB2 LYS 83 -3.570 -0.698 5.062 422 2HB LYS 83 HB1 LYS 83 -2.976 -1.896 3.921 423 1HG LYS 83 HG2 LYS 83 -5.053 -3.260 4.660 424 2HG LYS 83 HG1 LYS 83 -5.647 -1.703 5.240 425 1HD LYS 83 HD2 LYS 83 -4.993 -0.865 2.869 426 2HD LYS 83 HD1 LYS 83 -5.038 -2.576 2.443 427 1HE LYS 83 HE2 LYS 83 -7.331 -2.747 3.123 428 2HE LYS 83 HE1 LYS 83 -7.307 -1.109 3.776 429 1HZ LYS 83 HZ1 LYS 83 -7.535 -0.200 1.743 430 2HZ LYS 83 HZ2 LYS 83 -8.213 -1.700 1.355 431 3HZ LYS 83 HZ3 LYS 83 -6.598 -1.378 0.970 432 H THR 84 HN THR 84 -2.863 -4.785 7.097 433 HA THR 84 HA THR 84 -1.002 -6.026 5.250 434 HB THR 84 HB THR 84 -2.455 -7.376 7.523 435 HG1 THR 84 HG1 THR 84 -1.489 -5.829 8.630 436 1HG2 THR 84 HG21 THR 84 -1.079 -9.089 7.248 437 2HG2 THR 84 HG22 THR 84 0.330 -8.036 7.114 438 3HG2 THR 84 HG23 THR 84 -0.656 -8.377 5.691 439 H LEU 85 HN LEU 85 -2.523 -5.743 3.424 440 HA LEU 85 HA LEU 85 -4.846 -7.490 3.406 441 1HB LEU 85 HB2 LEU 85 -5.091 -5.296 2.438 442 2HB LEU 85 HB1 LEU 85 -3.728 -5.569 1.370 443 HG LEU 85 HG LEU 85 -6.080 -7.394 1.169 444 1HD1 LEU 85 HD11 LEU 85 -7.155 -5.852 -0.404 445 2HD1 LEU 85 HD12 LEU 85 -5.963 -4.616 0.001 446 3HD1 LEU 85 HD13 LEU 85 -7.094 -5.187 1.229 447 1HD2 LEU 85 HD21 LEU 85 -4.847 -6.345 -1.246 448 2HD2 LEU 85 HD22 LEU 85 -5.106 -8.014 -0.740 449 3HD2 LEU 85 HD23 LEU 85 -3.686 -7.132 -0.177 450 H ALA 86 HN ALA 86 -5.123 -9.264 2.085 451 HA ALA 86 HA ALA 86 -2.676 -10.569 1.210 452 1HB ALA 86 HB1 ALA 86 -5.456 -11.703 1.039 453 2HB ALA 86 HB2 ALA 86 -4.522 -11.712 2.536 454 3HB ALA 86 HB3 ALA 86 -3.920 -12.568 1.116 455 H LEU 87 HN LEU 87 -2.177 -9.256 -0.602 456 HA LEU 87 HA LEU 87 -4.077 -9.106 -2.782 457 1HB LEU 87 HB2 LEU 87 -2.427 -7.278 -2.019 458 2HB LEU 87 HB1 LEU 87 -1.228 -8.195 -2.911 459 HG LEU 87 HG LEU 87 -2.462 -7.892 -4.976 460 1HD1 LEU 87 HD11 LEU 87 -4.695 -7.808 -4.662 461 2HD1 LEU 87 HD12 LEU 87 -4.400 -6.069 -4.648 462 3HD1 LEU 87 HD13 LEU 87 -4.559 -6.948 -3.128 463 1HD2 LEU 87 HD21 LEU 87 -1.634 -5.582 -3.331 464 2HD2 LEU 87 HD22 LEU 87 -2.564 -5.223 -4.786 465 3HD2 LEU 87 HD23 LEU 87 -1.054 -6.125 -4.906 466 H THR 88 HN THR 88 -3.775 -9.928 -4.849 467 HA THR 88 HA THR 88 -2.211 -12.388 -4.954 468 HB THR 88 HB THR 88 -3.813 -11.455 -7.285 469 HG1 THR 88 HG1 THR 88 -4.925 -12.223 -4.801 470 1HG2 THR 88 HG21 THR 88 -4.657 -13.915 -6.893 471 2HG2 THR 88 HG22 THR 88 -3.141 -14.042 -6.001 472 3HG2 THR 88 HG23 THR 88 -3.127 -13.580 -7.703 473 H PHE 89 HN PHE 89 -1.243 -12.779 -7.264 474 HA PHE 89 HA PHE 89 0.265 -10.366 -8.025 475 1HB PHE 89 HB2 PHE 89 1.183 -13.097 -7.341 476 2HB PHE 89 HB1 PHE 89 1.967 -12.337 -8.710 477 HD1 PHE 89 HD1 PHE 89 2.293 -12.899 -5.358 478 HD2 PHE 89 HD2 PHE 89 2.546 -9.723 -8.178 479 HE1 PHE 89 HE1 PHE 89 3.786 -11.676 -3.836 480 HE2 PHE 89 HE2 PHE 89 4.039 -8.492 -6.656 481 HZ PHE 89 HZ PHE 89 4.662 -9.470 -4.486 482 HA PRO 90 HA PRO 90 -1.717 -11.521 -11.915 483 1HB PRO 90 HB2 PRO 90 -1.326 -9.191 -13.184 484 2HB PRO 90 HB1 PRO 90 -2.535 -9.359 -11.904 485 1HG PRO 90 HG2 PRO 90 0.240 -8.232 -11.748 486 2HG PRO 90 HG1 PRO 90 -1.268 -7.584 -11.074 487 1HD PRO 90 HD2 PRO 90 0.533 -8.995 -9.599 488 2HD PRO 90 HD1 PRO 90 -1.209 -8.997 -9.260 489 H SER 91 HN SER 91 -1.067 -11.680 -14.158 490 HA SER 91 HA SER 91 1.505 -12.727 -14.514 491 1HB SER 91 HB2 SER 91 0.928 -12.620 -16.975 492 2HB SER 91 HB1 SER 91 -0.245 -13.465 -15.964 493 HG SER 91 HG SER 91 -1.681 -11.999 -16.424 494 H ASP 92 HN ASP 92 0.182 -9.544 -15.146 495 HA ASP 92 HA ASP 92 2.020 -8.372 -16.764 496 1HB ASP 92 HB2 ASP 92 1.509 -6.240 -15.672 497 2HB ASP 92 HB1 ASP 92 0.051 -7.204 -15.890 498 H TYR 93 HN TYR 93 2.539 -9.347 -13.447 499 HA TYR 93 HA TYR 93 4.735 -7.797 -12.779 500 1HB TYR 93 HB2 TYR 93 3.408 -9.962 -11.644 501 2HB TYR 93 HB1 TYR 93 5.065 -10.525 -11.850 502 HD1 TYR 93 HD1 TYR 93 2.975 -7.881 -10.323 503 HD2 TYR 93 HD2 TYR 93 6.814 -9.709 -10.466 504 HE1 TYR 93 HE1 TYR 93 3.646 -6.614 -8.326 505 HE2 TYR 93 HE2 TYR 93 7.495 -8.449 -8.467 506 HH TYR 93 HH TYR 93 6.887 -6.427 -7.271 507 H HIS 94 HN HIS 94 6.852 -7.796 -13.235 508 HA HIS 94 HA HIS 94 7.788 -8.888 -15.619 509 1HB HIS 94 HB2 HIS 94 8.723 -7.064 -13.759 510 2HB HIS 94 HB1 HIS 94 9.912 -8.360 -13.688 511 HD1 HIS 94 HD1 HIS 94 8.143 -7.306 -16.847 512 HD2 HIS 94 HD2 HIS 94 11.901 -7.065 -15.090 513 HE1 HIS 94 HE1 HIS 94 9.668 -6.420 -18.640 514 HE2 HIS 94 HE2 HIS 94 11.914 -6.188 -17.523 515 H VAL 95 HN VAL 95 7.549 -10.345 -12.499 516 HA VAL 95 HA VAL 95 9.451 -12.433 -13.248 517 HB VAL 95 HB VAL 95 9.606 -11.402 -10.989 518 1HG1 VAL 95 HG11 VAL 95 6.873 -11.836 -10.942 519 2HG1 VAL 95 HG12 VAL 95 7.889 -11.302 -9.605 520 3HG1 VAL 95 HG13 VAL 95 7.530 -13.019 -9.807 521 1HG2 VAL 95 HG21 VAL 95 9.220 -14.350 -11.365 522 2HG2 VAL 95 HG22 VAL 95 9.701 -13.680 -9.807 523 3HG2 VAL 95 HG23 VAL 95 10.720 -13.434 -11.225 524 H LYS 96 HN LYS 96 8.872 -14.353 -13.857 525 HA LYS 96 HA LYS 96 6.328 -15.004 -14.737 526 1HB LYS 96 HB2 LYS 96 7.106 -17.269 -15.053 527 2HB LYS 96 HB1 LYS 96 8.374 -16.138 -15.499 528 1HG LYS 96 HG2 LYS 96 8.317 -17.364 -12.771 529 2HG LYS 96 HG1 LYS 96 8.984 -18.240 -14.146 530 1HD LYS 96 HD2 LYS 96 10.153 -15.770 -14.388 531 2HD LYS 96 HD1 LYS 96 10.085 -15.992 -12.639 532 1HE LYS 96 HE2 LYS 96 11.432 -17.721 -14.695 533 2HE LYS 96 HE1 LYS 96 12.155 -16.892 -13.317 534 1HZ LYS 96 HZ1 LYS 96 10.839 -19.455 -13.438 535 2HZ LYS 96 HZ2 LYS 96 10.342 -18.495 -12.137 536 3HZ LYS 96 HZ3 LYS 96 11.979 -18.874 -12.331 537 H GLU 97 HN GLU 97 7.819 -15.848 -11.637 538 HA GLU 97 HA GLU 97 5.786 -17.552 -10.749 539 1HB GLU 97 HB2 GLU 97 6.676 -16.921 -8.419 540 2HB GLU 97 HB1 GLU 97 7.753 -17.735 -9.543 541 1HG GLU 97 HG2 GLU 97 7.971 -14.913 -9.903 542 2HG GLU 97 HG1 GLU 97 8.156 -15.307 -8.197 543 H LEU 98 HN LEU 98 6.134 -14.043 -10.275 544 HA LEU 98 HA LEU 98 3.753 -13.974 -8.665 545 1HB LEU 98 HB2 LEU 98 5.616 -11.870 -9.672 546 2HB LEU 98 HB1 LEU 98 4.062 -11.423 -9.017 547 HG LEU 98 HG LEU 98 4.758 -11.661 -6.921 548 1HD1 LEU 98 HD11 LEU 98 4.519 -14.021 -6.863 549 2HD1 LEU 98 HD12 LEU 98 6.065 -13.632 -6.107 550 3HD1 LEU 98 HD13 LEU 98 6.024 -14.253 -7.756 551 1HD2 LEU 98 HD21 LEU 98 6.999 -11.212 -6.516 552 2HD2 LEU 98 HD22 LEU 98 6.773 -10.665 -8.178 553 3HD2 LEU 98 HD23 LEU 98 7.541 -12.220 -7.861 554 H GLN 99 HN GLN 99 3.545 -15.025 -11.345 555 HA GLN 99 HA GLN 99 1.914 -13.095 -12.749 556 1HB GLN 99 HB2 GLN 99 2.808 -15.917 -13.293 557 2HB GLN 99 HB1 GLN 99 1.473 -15.223 -14.203 558 1HG GLN 99 HG2 GLN 99 3.385 -13.275 -14.391 559 2HG GLN 99 HG1 GLN 99 4.339 -14.755 -14.426 560 1HE2 GLN 99 HE21 GLN 99 4.877 -14.199 -16.599 561 2HE2 GLN 99 HE22 GLN 99 3.773 -14.535 -17.884 562 H SER 100 HN SER 100 1.660 -15.986 -10.784 563 HA SER 100 HA SER 100 -1.178 -15.401 -10.313 564 1HB SER 100 HB2 SER 100 -0.057 -18.032 -11.269 565 2HB SER 100 HB1 SER 100 -1.597 -17.927 -10.416 566 HG SER 100 HG SER 100 -0.994 -17.301 -12.996 567 H LYS 101 HN LYS 101 0.515 -14.627 -8.450 568 HA LYS 101 HA LYS 101 0.597 -16.829 -6.494 569 1HB LYS 101 HB2 LYS 101 2.707 -15.256 -7.469 570 2HB LYS 101 HB1 LYS 101 2.430 -14.729 -5.815 571 1HG LYS 101 HG2 LYS 101 3.905 -16.412 -5.437 572 2HG LYS 101 HG1 LYS 101 2.397 -17.326 -5.360 573 1HD LYS 101 HD2 LYS 101 2.722 -17.755 -7.851 574 2HD LYS 101 HD1 LYS 101 4.365 -17.153 -7.627 575 1HE LYS 101 HE2 LYS 101 4.953 -19.208 -7.015 576 2HE LYS 101 HE1 LYS 101 3.970 -18.996 -5.567 577 1HZ LYS 101 HZ1 LYS 101 2.138 -20.025 -6.601 578 2HZ LYS 101 HZ2 LYS 101 3.467 -21.011 -6.949 579 3HZ LYS 101 HZ3 LYS 101 2.854 -19.970 -8.133 580 HA PRO 102 HA PRO 102 -2.168 -13.971 -4.270 581 1HB PRO 102 HB2 PRO 102 -3.110 -15.817 -2.542 582 2HB PRO 102 HB1 PRO 102 -3.707 -15.703 -4.202 583 1HG PRO 102 HG2 PRO 102 -1.675 -17.577 -3.045 584 2HG PRO 102 HG1 PRO 102 -3.014 -17.928 -4.155 585 1HD PRO 102 HD2 PRO 102 -0.455 -17.626 -5.001 586 2HD PRO 102 HD1 PRO 102 -1.853 -17.171 -5.994 587 H VAL 103 HN VAL 103 -0.427 -12.801 -3.363 588 HA VAL 103 HA VAL 103 0.953 -13.978 -1.066 589 HB VAL 103 HB VAL 103 2.276 -12.933 -2.869 590 1HG1 VAL 103 HG11 VAL 103 1.233 -11.133 -3.764 591 2HG1 VAL 103 HG12 VAL 103 2.229 -10.279 -2.587 592 3HG1 VAL 103 HG13 VAL 103 0.538 -10.623 -2.225 593 1HG2 VAL 103 HG21 VAL 103 2.619 -11.259 -0.409 594 2HG2 VAL 103 HG22 VAL 103 3.849 -11.954 -1.465 595 3HG2 VAL 103 HG23 VAL 103 2.929 -12.995 -0.378 596 H THR 104 HN THR 104 1.383 -12.650 0.814 597 HA THR 104 HA THR 104 -0.914 -10.993 1.570 598 HB THR 104 HB THR 104 0.883 -11.717 3.736 599 HG1 THR 104 HG1 THR 104 -0.421 -13.817 2.350 600 1HG2 THR 104 HG21 THR 104 -1.530 -12.912 4.238 601 2HG2 THR 104 HG22 THR 104 -1.968 -11.518 3.249 602 3HG2 THR 104 HG23 THR 104 -1.049 -11.291 4.737 603 H PHE 105 HN PHE 105 -0.486 -8.942 1.118 604 HA PHE 105 HA PHE 105 2.232 -7.934 1.394 605 1HB PHE 105 HB2 PHE 105 -0.296 -6.854 0.184 606 2HB PHE 105 HB1 PHE 105 1.048 -5.783 0.538 607 HD1 PHE 105 HD1 PHE 105 3.199 -7.941 -0.189 608 HD2 PHE 105 HD2 PHE 105 -0.268 -6.434 -2.142 609 HE1 PHE 105 HE1 PHE 105 4.197 -8.471 -2.374 610 HE2 PHE 105 HE2 PHE 105 0.725 -6.963 -4.326 611 HZ PHE 105 HZ PHE 105 2.961 -7.977 -4.444 612 H GLU 106 HN GLU 106 2.920 -6.912 3.126 613 HA GLU 106 HA GLU 106 0.975 -5.838 5.050 614 1HB GLU 106 HB2 GLU 106 2.476 -7.163 6.268 615 2HB GLU 106 HB1 GLU 106 3.837 -6.737 5.242 616 1HG GLU 106 HG2 GLU 106 4.206 -4.734 6.333 617 2HG GLU 106 HG1 GLU 106 2.563 -4.660 6.969 618 H VAL 107 HN VAL 107 0.457 -4.044 3.716 619 HA VAL 107 HA VAL 107 2.606 -2.238 2.981 620 HB VAL 107 HB VAL 107 -0.132 -1.325 2.451 621 1HG1 VAL 107 HG11 VAL 107 2.477 -0.986 1.449 622 2HG1 VAL 107 HG12 VAL 107 0.995 -0.197 0.914 623 3HG1 VAL 107 HG13 VAL 107 1.519 -1.695 0.149 624 1HG2 VAL 107 HG21 VAL 107 0.855 -3.957 1.381 625 2HG2 VAL 107 HG22 VAL 107 -0.284 -2.957 0.480 626 3HG2 VAL 107 HG23 VAL 107 -0.718 -3.567 2.077 627 H VAL 108 HN VAL 108 3.322 -0.862 4.458 628 HA VAL 108 HA VAL 108 1.563 0.171 6.506 629 HB VAL 108 HB VAL 108 4.408 -0.201 6.087 630 1HG1 VAL 108 HG11 VAL 108 4.800 2.085 5.845 631 2HG1 VAL 108 HG12 VAL 108 4.996 1.837 7.579 632 3HG1 VAL 108 HG13 VAL 108 3.501 2.530 6.953 633 1HG2 VAL 108 HG21 VAL 108 3.647 -1.271 7.937 634 2HG2 VAL 108 HG22 VAL 108 2.495 0.002 8.344 635 3HG2 VAL 108 HG23 VAL 108 4.210 0.219 8.696 636 H LEU 109 HN LEU 109 0.145 1.412 5.364 637 HA LEU 109 HA LEU 109 0.501 3.028 3.233 638 1HB LEU 109 HB2 LEU 109 -1.536 2.459 4.975 639 2HB LEU 109 HB1 LEU 109 -1.374 4.200 5.097 640 HG LEU 109 HG LEU 109 -1.789 2.650 2.540 641 1HD1 LEU 109 HD11 LEU 109 -3.958 2.752 2.957 642 2HD1 LEU 109 HD12 LEU 109 -3.861 4.507 3.093 643 3HD1 LEU 109 HD13 LEU 109 -3.632 3.498 4.521 644 1HD2 LEU 109 HD21 LEU 109 -2.155 5.579 2.665 645 2HD2 LEU 109 HD22 LEU 109 -1.547 4.562 1.359 646 3HD2 LEU 109 HD23 LEU 109 -0.494 4.986 2.709 647 H LYS 110 HN LYS 110 2.680 4.075 3.598 648 HA LYS 110 HA LYS 110 2.400 6.544 5.180 649 1HB LYS 110 HB2 LYS 110 4.557 4.717 4.905 650 2HB LYS 110 HB1 LYS 110 5.031 6.192 4.076 651 1HG LYS 110 HG2 LYS 110 5.805 6.495 6.243 652 2HG LYS 110 HG1 LYS 110 4.294 7.405 6.204 653 1HD LYS 110 HD2 LYS 110 3.483 6.187 7.877 654 2HD LYS 110 HD1 LYS 110 3.732 4.705 6.952 655 1HE LYS 110 HE2 LYS 110 4.955 4.436 8.954 656 2HE LYS 110 HE1 LYS 110 6.145 4.796 7.704 657 1HZ LYS 110 HZ1 LYS 110 5.092 6.644 9.771 658 2HZ LYS 110 HZ2 LYS 110 6.030 7.155 8.459 659 3HZ LYS 110 HZ3 LYS 110 6.681 6.088 9.598 660 H ALA 111 HN ALA 111 2.058 8.424 3.943 661 HA ALA 111 HA ALA 111 2.759 8.173 1.097 662 1HB ALA 111 HB1 ALA 111 0.690 8.951 0.371 663 2HB ALA 111 HB2 ALA 111 0.211 9.449 1.993 664 3HB ALA 111 HB3 ALA 111 0.347 7.734 1.601 665 H ILE 112 HN ILE 112 3.720 9.710 0.164 666 HA ILE 112 HA ILE 112 3.901 12.387 1.394 667 HB ILE 112 HB ILE 112 5.829 10.936 -0.419 668 1HG1 ILE 112 HG12 ILE 112 5.739 10.308 2.024 669 2HG1 ILE 112 HG11 ILE 112 7.301 10.896 1.464 670 1HG2 ILE 112 HG21 ILE 112 6.456 12.962 -1.118 671 2HG2 ILE 112 HG22 ILE 112 7.106 13.198 0.504 672 3HG2 ILE 112 HG23 ILE 112 5.488 13.777 0.110 673 1HD1 ILE 112 HD11 ILE 112 6.813 13.086 2.435 674 2HD1 ILE 112 HD12 ILE 112 6.755 11.802 3.643 675 3HD1 ILE 112 HD13 ILE 112 5.258 12.480 3.005 676 H LYS 113 HN LYS 113 3.182 14.159 0.052 677 HA LYS 113 HA LYS 113 2.190 13.370 -2.578 678 1HB LYS 113 HB2 LYS 113 0.941 15.534 -2.468 679 2HB LYS 113 HB1 LYS 113 0.528 14.402 -1.187 680 1HG LYS 113 HG2 LYS 113 1.602 15.656 0.442 681 2HG LYS 113 HG1 LYS 113 2.586 16.525 -0.737 682 1HD LYS 113 HD2 LYS 113 0.591 17.687 -1.546 683 2HD LYS 113 HD1 LYS 113 -0.397 16.810 -0.376 684 1HE LYS 113 HE2 LYS 113 -0.050 18.617 0.916 685 2HE LYS 113 HE1 LYS 113 1.506 17.855 1.243 686 1HZ LYS 113 HZ1 LYS 113 1.257 20.340 0.353 687 2HZ LYS 113 HZ2 LYS 113 1.374 19.532 -1.128 688 3HZ LYS 113 HZ3 LYS 113 2.606 19.374 0.020 Start of MODEL 6 1 H LYS 29 HN LYS 29 -7.543 9.675 7.216 2 HA LYS 29 HA LYS 29 -6.850 6.992 6.942 3 1HB LYS 29 HB2 LYS 29 -8.433 6.282 5.160 4 2HB LYS 29 HB1 LYS 29 -9.198 6.482 6.730 5 1HG LYS 29 HG2 LYS 29 -9.337 8.947 5.288 6 2HG LYS 29 HG1 LYS 29 -9.940 7.634 4.275 7 1HD LYS 29 HD2 LYS 29 -10.845 7.711 7.100 8 2HD LYS 29 HD1 LYS 29 -11.493 8.933 6.005 9 1HE LYS 29 HE2 LYS 29 -11.482 6.191 4.948 10 2HE LYS 29 HE1 LYS 29 -12.537 6.449 6.337 11 1HZ LYS 29 HZ1 LYS 29 -12.677 8.455 4.239 12 2HZ LYS 29 HZ2 LYS 29 -13.915 7.759 5.157 13 3HZ LYS 29 HZ3 LYS 29 -13.273 6.925 3.833 14 H LEU 30 HN LEU 30 -5.366 6.789 5.360 15 HA LEU 30 HA LEU 30 -4.785 9.141 3.761 16 1HB LEU 30 HB2 LEU 30 -3.007 7.862 4.954 17 2HB LEU 30 HB1 LEU 30 -3.326 6.500 3.896 18 HG LEU 30 HG LEU 30 -2.856 8.442 2.062 19 1HD1 LEU 30 HD11 LEU 30 -0.818 9.010 4.183 20 2HD1 LEU 30 HD12 LEU 30 -2.305 9.951 4.068 21 3HD1 LEU 30 HD13 LEU 30 -1.177 9.915 2.712 22 1HD2 LEU 30 HD21 LEU 30 -1.842 6.270 2.005 23 2HD2 LEU 30 HD22 LEU 30 -0.878 6.630 3.438 24 3HD2 LEU 30 HD23 LEU 30 -0.563 7.482 1.926 25 H ALA 31 HN ALA 31 -6.592 9.086 2.331 26 HA ALA 31 HA ALA 31 -6.983 6.771 0.664 27 1HB ALA 31 HB1 ALA 31 -9.025 7.642 0.808 28 2HB ALA 31 HB2 ALA 31 -8.500 8.740 -0.472 29 3HB ALA 31 HB3 ALA 31 -8.417 9.247 1.214 30 H ASN 32 HN ASN 32 -7.559 7.760 -1.787 31 HA ASN 32 HA ASN 32 -5.189 7.655 -3.153 32 1HB ASN 32 HB2 ASN 32 -7.943 8.437 -3.795 33 2HB ASN 32 HB1 ASN 32 -6.730 9.126 -4.870 34 1HD2 ASN 32 HD21 ASN 32 -6.648 6.023 -3.204 35 2HD2 ASN 32 HD22 ASN 32 -6.636 5.052 -4.633 36 H GLY 33 HN GLY 33 -4.792 9.576 -4.913 37 1HA GLY 33 HA2 GLY 33 -3.689 11.533 -5.277 38 2HA GLY 33 HA1 GLY 33 -4.807 12.243 -4.137 39 H ASP 34 HN ASP 34 -2.953 9.757 -2.739 40 HA ASP 34 HA ASP 34 -1.035 11.723 -1.669 41 1HB ASP 34 HB2 ASP 34 -2.687 9.637 -0.342 42 2HB ASP 34 HB1 ASP 34 -1.064 9.905 0.287 43 H ILE 35 HN ILE 35 0.993 10.656 -0.782 44 HA ILE 35 HA ILE 35 1.856 8.539 -2.644 45 HB ILE 35 HB ILE 35 3.554 10.429 -1.044 46 1HG1 ILE 35 HG12 ILE 35 4.079 11.452 -3.247 47 2HG1 ILE 35 HG11 ILE 35 2.809 10.462 -3.958 48 1HG2 ILE 35 HG21 ILE 35 4.419 8.097 -1.733 49 2HG2 ILE 35 HG22 ILE 35 5.427 9.520 -1.989 50 3HG2 ILE 35 HG23 ILE 35 4.530 8.821 -3.338 51 1HD1 ILE 35 HD11 ILE 35 1.154 11.745 -3.104 52 2HD1 ILE 35 HD12 ILE 35 2.423 12.968 -3.173 53 3HD1 ILE 35 HD13 ILE 35 2.066 12.151 -1.651 54 H ALA 36 HN ALA 36 2.009 6.496 -1.693 55 HA ALA 36 HA ALA 36 2.226 6.419 1.223 56 1HB ALA 36 HB1 ALA 36 0.688 4.964 -0.723 57 2HB ALA 36 HB2 ALA 36 0.505 5.052 1.028 58 3HB ALA 36 HB3 ALA 36 1.603 3.871 0.315 59 H ILE 37 HN ILE 37 4.439 6.350 1.683 60 HA ILE 37 HA ILE 37 6.213 4.665 0.163 61 HB ILE 37 HB ILE 37 7.810 5.178 2.083 62 1HG1 ILE 37 HG12 ILE 37 6.259 7.541 2.806 63 2HG1 ILE 37 HG11 ILE 37 5.583 6.021 3.370 64 1HG2 ILE 37 HG21 ILE 37 8.021 7.632 1.335 65 2HG2 ILE 37 HG22 ILE 37 6.705 7.234 0.231 66 3HG2 ILE 37 HG23 ILE 37 8.231 6.353 0.139 67 1HD1 ILE 37 HD11 ILE 37 8.289 7.156 3.963 68 2HD1 ILE 37 HD12 ILE 37 7.838 5.488 4.318 69 3HD1 ILE 37 HD13 ILE 37 6.976 6.818 5.091 70 H ILE 38 HN ILE 38 5.025 2.755 0.360 71 HA ILE 38 HA ILE 38 4.763 1.566 2.998 72 HB ILE 38 HB ILE 38 3.547 -0.234 1.688 73 1HG1 ILE 38 HG12 ILE 38 3.494 1.874 -0.469 74 2HG1 ILE 38 HG11 ILE 38 4.602 0.507 -0.511 75 1HG2 ILE 38 HG21 ILE 38 1.895 2.028 1.123 76 2HG2 ILE 38 HG22 ILE 38 2.764 2.298 2.633 77 3HG2 ILE 38 HG23 ILE 38 1.768 0.857 2.436 78 1HD1 ILE 38 HD11 ILE 38 2.676 0.063 -1.881 79 2HD1 ILE 38 HD12 ILE 38 1.599 0.379 -0.521 80 3HD1 ILE 38 HD13 ILE 38 2.678 -1.015 -0.487 81 H ASP 39 HN ASP 39 6.076 0.021 3.780 82 HA ASP 39 HA ASP 39 8.085 -1.203 2.040 83 1HB ASP 39 HB2 ASP 39 7.902 -2.040 4.883 84 2HB ASP 39 HB1 ASP 39 9.316 -1.648 3.918 85 H PHE 40 HN PHE 40 6.834 -2.484 0.801 86 HA PHE 40 HA PHE 40 5.221 -4.521 2.164 87 1HB PHE 40 HB2 PHE 40 4.142 -4.955 0.018 88 2HB PHE 40 HB1 PHE 40 4.074 -3.250 0.422 89 HD1 PHE 40 HD1 PHE 40 5.305 -1.610 -0.861 90 HD2 PHE 40 HD2 PHE 40 5.443 -5.746 -1.853 91 HE1 PHE 40 HE1 PHE 40 6.221 -1.044 -3.073 92 HE2 PHE 40 HE2 PHE 40 6.365 -5.189 -4.065 93 HZ PHE 40 HZ PHE 40 6.753 -2.835 -4.679 94 H THR 41 HN THR 41 6.185 -6.376 2.595 95 HA THR 41 HA THR 41 8.411 -7.325 0.984 96 HB THR 41 HB THR 41 7.351 -8.854 3.311 97 HG1 THR 41 HG1 THR 41 8.773 -6.409 3.480 98 1HG2 THR 41 HG21 THR 41 10.192 -8.112 2.748 99 2HG2 THR 41 HG22 THR 41 9.418 -9.480 1.948 100 3HG2 THR 41 HG23 THR 41 9.559 -9.451 3.705 101 H GLY 42 HN GLY 42 8.266 -8.847 -0.526 102 1HA GLY 42 HA2 GLY 42 5.753 -10.080 -1.170 103 2HA GLY 42 HA1 GLY 42 7.282 -10.281 -2.007 104 H ILE 43 HN ILE 43 5.456 -11.342 0.831 105 HA ILE 43 HA ILE 43 7.203 -13.648 1.134 106 HB ILE 43 HB ILE 43 4.700 -13.668 2.643 107 1HG1 ILE 43 HG12 ILE 43 6.337 -11.233 2.577 108 2HG1 ILE 43 HG11 ILE 43 4.706 -11.482 3.200 109 1HG2 ILE 43 HG21 ILE 43 7.599 -13.936 3.396 110 2HG2 ILE 43 HG22 ILE 43 6.462 -15.245 3.076 111 3HG2 ILE 43 HG23 ILE 43 6.240 -14.212 4.486 112 1HD1 ILE 43 HD11 ILE 43 5.950 -10.844 5.054 113 2HD1 ILE 43 HD12 ILE 43 7.330 -11.840 4.587 114 3HD1 ILE 43 HD13 ILE 43 5.859 -12.600 5.190 115 H VAL 44 HN VAL 44 6.879 -15.440 0.006 116 HA VAL 44 HA VAL 44 4.284 -15.888 -1.251 117 HB VAL 44 HB VAL 44 6.248 -16.026 -2.688 118 1HG1 VAL 44 HG11 VAL 44 7.115 -18.578 -1.424 119 2HG1 VAL 44 HG12 VAL 44 7.632 -17.056 -0.701 120 3HG1 VAL 44 HG13 VAL 44 8.039 -17.419 -2.377 121 1HG2 VAL 44 HG21 VAL 44 4.320 -18.182 -2.329 122 2HG2 VAL 44 HG22 VAL 44 5.775 -18.685 -3.188 123 3HG2 VAL 44 HG23 VAL 44 4.816 -17.335 -3.794 124 H ASP 45 HN ASP 45 3.292 -16.457 0.814 125 HA ASP 45 HA ASP 45 2.459 -17.940 2.327 126 1HB ASP 45 HB2 ASP 45 2.219 -19.114 -0.023 127 2HB ASP 45 HB1 ASP 45 3.397 -20.231 0.659 128 H ASN 46 HN ASN 46 4.238 -17.299 3.778 129 HA ASN 46 HA ASN 46 5.558 -18.006 5.513 130 1HB ASN 46 HB2 ASN 46 5.688 -20.613 4.008 131 2HB ASN 46 HB1 ASN 46 6.552 -20.313 5.508 132 1HD2 ASN 46 HD21 ASN 46 3.428 -20.736 4.037 133 2HD2 ASN 46 HD22 ASN 46 2.554 -21.002 5.503 134 H LYS 47 HN LYS 47 6.604 -18.461 2.199 135 HA LYS 47 HA LYS 47 9.357 -18.122 3.017 136 1HB LYS 47 HB2 LYS 47 8.000 -18.725 0.416 137 2HB LYS 47 HB1 LYS 47 9.655 -18.130 0.410 138 1HG LYS 47 HG2 LYS 47 8.838 -20.503 2.050 139 2HG LYS 47 HG1 LYS 47 9.296 -20.652 0.352 140 1HD LYS 47 HD2 LYS 47 11.430 -19.418 0.981 141 2HD LYS 47 HD1 LYS 47 10.973 -19.703 2.662 142 1HE LYS 47 HE2 LYS 47 10.755 -22.171 1.949 143 2HE LYS 47 HE1 LYS 47 11.698 -21.692 0.539 144 1HZ LYS 47 HZ1 LYS 47 13.362 -20.782 2.163 145 2HZ LYS 47 HZ2 LYS 47 13.222 -22.467 2.137 146 3HZ LYS 47 HZ3 LYS 47 12.507 -21.579 3.386 147 H LYS 48 HN LYS 48 10.523 -16.280 2.851 148 HA LYS 48 HA LYS 48 9.153 -13.933 1.701 149 1HB LYS 48 HB2 LYS 48 9.381 -13.929 4.205 150 2HB LYS 48 HB1 LYS 48 11.126 -13.916 3.992 151 1HG LYS 48 HG2 LYS 48 10.498 -11.810 2.471 152 2HG LYS 48 HG1 LYS 48 9.151 -11.757 3.610 153 1HD LYS 48 HD2 LYS 48 12.024 -11.969 4.483 154 2HD LYS 48 HD1 LYS 48 11.207 -10.423 4.248 155 1HE LYS 48 HE2 LYS 48 9.677 -10.847 5.983 156 2HE LYS 48 HE1 LYS 48 10.077 -12.564 6.025 157 1HZ LYS 48 HZ1 LYS 48 12.242 -10.691 6.576 158 2HZ LYS 48 HZ2 LYS 48 11.915 -12.200 7.266 159 3HZ LYS 48 HZ3 LYS 48 11.045 -10.837 7.762 160 H LEU 49 HN LEU 49 10.158 -14.172 -0.325 161 HA LEU 49 HA LEU 49 13.059 -14.198 -0.452 162 1HB LEU 49 HB2 LEU 49 12.632 -14.135 -2.959 163 2HB LEU 49 HB1 LEU 49 12.128 -15.570 -2.093 164 HG LEU 49 HG LEU 49 10.584 -14.557 -3.912 165 1HD1 LEU 49 HD11 LEU 49 10.012 -15.850 -1.365 166 2HD1 LEU 49 HD12 LEU 49 9.468 -16.247 -2.995 167 3HD1 LEU 49 HD13 LEU 49 8.625 -15.011 -2.061 168 1HD2 LEU 49 HD21 LEU 49 9.961 -12.756 -1.576 169 2HD2 LEU 49 HD22 LEU 49 8.926 -12.965 -2.986 170 3HD2 LEU 49 HD23 LEU 49 10.537 -12.275 -3.170 171 H ALA 50 HN ALA 50 13.865 -12.689 -2.417 172 HA ALA 50 HA ALA 50 13.369 -9.986 -1.457 173 1HB ALA 50 HB1 ALA 50 15.615 -11.385 -2.540 174 2HB ALA 50 HB2 ALA 50 15.557 -9.803 -1.765 175 3HB ALA 50 HB3 ALA 50 15.301 -9.942 -3.504 176 H SER 51 HN SER 51 12.333 -11.979 -3.999 177 HA SER 51 HA SER 51 12.146 -10.378 -6.214 178 1HB SER 51 HB2 SER 51 11.391 -12.653 -6.327 179 2HB SER 51 HB1 SER 51 10.136 -12.352 -5.125 180 HG SER 51 HG SER 51 10.269 -11.479 -7.804 181 H ALA 52 HN ALA 52 9.221 -10.798 -4.269 182 HA ALA 52 HA ALA 52 8.410 -8.137 -5.023 183 1HB ALA 52 HB1 ALA 52 6.491 -9.110 -3.276 184 2HB ALA 52 HB2 ALA 52 7.097 -10.547 -4.102 185 3HB ALA 52 HB3 ALA 52 6.455 -9.199 -5.039 186 H SER 53 HN SER 53 10.660 -8.579 -3.053 187 HA SER 53 HA SER 53 9.593 -7.618 -0.544 188 1HB SER 53 HB2 SER 53 11.780 -7.908 0.335 189 2HB SER 53 HB1 SER 53 11.523 -9.262 -0.765 190 HG SER 53 HG SER 53 12.623 -7.890 -2.369 191 H ALA 54 HN ALA 54 8.871 -5.564 -0.686 192 HA ALA 54 HA ALA 54 10.787 -3.542 -1.634 193 1HB ALA 54 HB1 ALA 54 8.871 -3.524 -3.065 194 2HB ALA 54 HB2 ALA 54 8.854 -2.074 -2.056 195 3HB ALA 54 HB3 ALA 54 7.788 -3.430 -1.675 196 H GLN 55 HN GLN 55 11.467 -2.093 -0.315 197 HA GLN 55 HA GLN 55 10.508 -2.079 2.425 198 1HB GLN 55 HB2 GLN 55 12.996 -2.034 1.441 199 2HB GLN 55 HB1 GLN 55 12.713 -0.303 1.519 200 1HG GLN 55 HG2 GLN 55 12.713 -0.265 3.787 201 2HG GLN 55 HG1 GLN 55 12.035 -1.887 3.924 202 1HE2 GLN 55 HE21 GLN 55 14.975 -0.143 3.031 203 2HE2 GLN 55 HE22 GLN 55 16.075 -1.364 3.564 204 H ASN 56 HN ASN 56 11.575 0.722 2.548 205 HA ASN 56 HA ASN 56 9.142 2.130 2.467 206 1HB ASN 56 HB2 ASN 56 12.015 2.939 2.733 207 2HB ASN 56 HB1 ASN 56 10.809 4.183 2.419 208 1HD2 ASN 56 HD21 ASN 56 11.647 1.551 4.605 209 2HD2 ASN 56 HD22 ASN 56 10.882 2.224 6.000 210 H TYR 57 HN TYR 57 8.367 1.513 0.381 211 HA TYR 57 HA TYR 57 9.723 2.665 -1.928 212 1HB TYR 57 HB2 TYR 57 8.908 0.317 -2.019 213 2HB TYR 57 HB1 TYR 57 7.262 0.912 -1.832 214 HD1 TYR 57 HD1 TYR 57 6.452 2.619 -3.623 215 HD2 TYR 57 HD2 TYR 57 9.793 0.039 -4.147 216 HE1 TYR 57 HE1 TYR 57 6.269 2.888 -6.060 217 HE2 TYR 57 HE2 TYR 57 9.621 0.301 -6.586 218 HH TYR 57 HH TYR 57 7.272 1.067 -8.192 219 H GLU 58 HN GLU 58 9.317 4.776 -2.116 220 HA GLU 58 HA GLU 58 6.971 6.084 -1.329 221 1HB GLU 58 HB2 GLU 58 9.312 7.044 -1.926 222 2HB GLU 58 HB1 GLU 58 8.691 7.093 -3.571 223 1HG GLU 58 HG2 GLU 58 6.904 8.560 -2.900 224 2HG GLU 58 HG1 GLU 58 7.391 8.430 -1.210 225 H LEU 59 HN LEU 59 5.257 4.910 -2.054 226 HA LEU 59 HA LEU 59 4.808 4.724 -4.931 227 1HB LEU 59 HB2 LEU 59 4.230 2.691 -4.119 228 2HB LEU 59 HB1 LEU 59 3.872 3.305 -2.525 229 HG LEU 59 HG LEU 59 1.939 2.283 -3.570 230 1HD1 LEU 59 HD11 LEU 59 0.892 4.952 -3.631 231 2HD1 LEU 59 HD12 LEU 59 2.000 4.714 -2.283 232 3HD1 LEU 59 HD13 LEU 59 0.610 3.650 -2.478 233 1HD2 LEU 59 HD21 LEU 59 1.325 2.551 -5.658 234 2HD2 LEU 59 HD22 LEU 59 2.785 3.512 -5.899 235 3HD2 LEU 59 HD23 LEU 59 1.266 4.301 -5.478 236 H THR 60 HN THR 60 2.783 5.463 -5.818 237 HA THR 60 HA THR 60 1.695 7.791 -4.356 238 HB THR 60 HB THR 60 1.170 7.707 -7.247 239 HG1 THR 60 HG1 THR 60 3.234 6.790 -7.306 240 1HG2 THR 60 HG21 THR 60 2.733 9.824 -5.842 241 2HG2 THR 60 HG22 THR 60 0.998 9.668 -5.568 242 3HG2 THR 60 HG23 THR 60 1.611 9.962 -7.195 243 H ILE 61 HN ILE 61 -0.314 7.260 -3.534 244 HA ILE 61 HA ILE 61 -1.848 5.200 -4.866 245 HB ILE 61 HB ILE 61 -3.480 5.702 -2.929 246 1HG1 ILE 61 HG12 ILE 61 -0.963 7.011 -1.861 247 2HG1 ILE 61 HG11 ILE 61 -2.455 7.855 -2.260 248 1HG2 ILE 61 HG21 ILE 61 -1.135 4.117 -3.196 249 2HG2 ILE 61 HG22 ILE 61 -2.612 3.759 -2.306 250 3HG2 ILE 61 HG23 ILE 61 -1.288 4.612 -1.509 251 1HD1 ILE 61 HD11 ILE 61 -2.028 7.357 0.178 252 2HD1 ILE 61 HD12 ILE 61 -2.339 5.666 -0.214 253 3HD1 ILE 61 HD13 ILE 61 -3.599 6.875 -0.459 254 H GLY 62 HN GLY 62 -2.723 5.929 -6.658 255 1HA GLY 62 HA2 GLY 62 -4.966 6.990 -7.230 256 2HA GLY 62 HA1 GLY 62 -4.239 8.452 -6.568 257 H SER 63 HN SER 63 -2.163 6.291 -8.263 258 HA SER 63 HA SER 63 -2.006 8.212 -10.470 259 1HB SER 63 HB2 SER 63 0.000 7.372 -8.875 260 2HB SER 63 HB1 SER 63 0.109 6.163 -10.154 261 HG SER 63 HG SER 63 0.173 7.958 -11.646 262 H ASN 64 HN ASN 64 -3.129 5.113 -9.731 263 HA ASN 64 HA ASN 64 -4.049 3.473 -10.998 264 1HB ASN 64 HB2 ASN 64 -3.972 5.759 -12.805 265 2HB ASN 64 HB1 ASN 64 -3.849 4.226 -13.663 266 1HD2 ASN 64 HD21 ASN 64 -5.909 4.717 -14.564 267 2HD2 ASN 64 HD22 ASN 64 -7.350 4.429 -13.657 268 H SER 65 HN SER 65 -1.074 3.816 -10.556 269 HA SER 65 HA SER 65 -0.027 2.285 -12.819 270 1HB SER 65 HB2 SER 65 1.075 4.282 -11.134 271 2HB SER 65 HB1 SER 65 1.969 2.795 -10.822 272 HG SER 65 HG SER 65 2.927 3.096 -12.654 273 H PHE 66 HN PHE 66 -0.963 1.905 -9.507 274 HA PHE 66 HA PHE 66 0.393 -0.674 -9.309 275 1HB PHE 66 HB2 PHE 66 -0.394 1.313 -7.428 276 2HB PHE 66 HB1 PHE 66 -1.251 -0.173 -7.033 277 HD1 PHE 66 HD1 PHE 66 1.984 1.480 -7.198 278 HD2 PHE 66 HD2 PHE 66 -0.022 -2.191 -6.421 279 HE1 PHE 66 HE1 PHE 66 4.013 0.604 -6.118 280 HE2 PHE 66 HE2 PHE 66 2.005 -3.073 -5.341 281 HZ PHE 66 HZ PHE 66 4.025 -1.675 -5.187 282 H ILE 67 HN ILE 67 -0.750 -2.620 -8.803 283 HA ILE 67 HA ILE 67 -3.002 -3.084 -10.386 284 HB ILE 67 HB ILE 67 -3.183 -5.259 -9.286 285 1HG1 ILE 67 HG12 ILE 67 -1.086 -4.183 -7.384 286 2HG1 ILE 67 HG11 ILE 67 -2.756 -4.559 -6.974 287 1HG2 ILE 67 HG21 ILE 67 -1.353 -4.631 -10.976 288 2HG2 ILE 67 HG22 ILE 67 -1.175 -6.135 -10.072 289 3HG2 ILE 67 HG23 ILE 67 -0.255 -4.706 -9.598 290 1HD1 ILE 67 HD11 ILE 67 -1.227 -6.307 -6.232 291 2HD1 ILE 67 HD12 ILE 67 -0.688 -6.545 -7.894 292 3HD1 ILE 67 HD13 ILE 67 -2.353 -6.912 -7.447 293 H LYS 68 HN LYS 68 -5.117 -3.957 -9.603 294 HA LYS 68 HA LYS 68 -6.310 -2.043 -7.804 295 1HB LYS 68 HB2 LYS 68 -7.234 -3.307 -10.012 296 2HB LYS 68 HB1 LYS 68 -7.920 -4.334 -8.761 297 1HG LYS 68 HG2 LYS 68 -8.408 -1.693 -7.951 298 2HG LYS 68 HG1 LYS 68 -8.780 -1.760 -9.675 299 1HD LYS 68 HD2 LYS 68 -10.775 -2.304 -8.475 300 2HD LYS 68 HD1 LYS 68 -10.170 -3.788 -9.213 301 1HE LYS 68 HE2 LYS 68 -9.116 -3.311 -6.533 302 2HE LYS 68 HE1 LYS 68 -10.871 -3.473 -6.575 303 1HZ LYS 68 HZ1 LYS 68 -8.814 -5.437 -7.343 304 2HZ LYS 68 HZ2 LYS 68 -10.368 -5.537 -8.003 305 3HZ LYS 68 HZ3 LYS 68 -10.154 -5.636 -6.329 306 H GLY 69 HN GLY 69 -6.631 -2.317 -5.687 307 1HA GLY 69 HA2 GLY 69 -7.517 -3.706 -3.895 308 2HA GLY 69 HA1 GLY 69 -6.697 -5.074 -4.636 309 H PHE 70 HN PHE 70 -4.332 -3.333 -5.189 310 HA PHE 70 HA PHE 70 -2.916 -3.888 -2.767 311 1HB PHE 70 HB2 PHE 70 -2.078 -3.970 -5.218 312 2HB PHE 70 HB1 PHE 70 -1.844 -2.238 -5.040 313 HD1 PHE 70 HD1 PHE 70 -0.636 -1.685 -2.638 314 HD2 PHE 70 HD2 PHE 70 -0.206 -5.217 -4.968 315 HE1 PHE 70 HE1 PHE 70 1.557 -2.099 -1.605 316 HE2 PHE 70 HE2 PHE 70 1.981 -5.634 -3.942 317 HZ PHE 70 HZ PHE 70 2.871 -4.077 -2.254 318 H GLU 71 HN GLU 71 -2.889 -0.841 -4.597 319 HA GLU 71 HA GLU 71 -2.112 0.817 -2.547 320 1HB GLU 71 HB2 GLU 71 -3.726 1.294 -5.032 321 2HB GLU 71 HB1 GLU 71 -3.422 2.607 -3.903 322 1HG GLU 71 HG2 GLU 71 -1.018 2.281 -4.163 323 2HG GLU 71 HG1 GLU 71 -1.320 0.959 -5.290 324 H THR 72 HN THR 72 -5.319 -0.398 -3.294 325 HA THR 72 HA THR 72 -6.811 1.371 -1.702 326 HB THR 72 HB THR 72 -8.241 -0.994 -1.673 327 HG1 THR 72 HG1 THR 72 -7.916 -1.771 -3.838 328 1HG2 THR 72 HG21 THR 72 -8.213 0.878 -4.017 329 2HG2 THR 72 HG22 THR 72 -8.963 1.277 -2.472 330 3HG2 THR 72 HG23 THR 72 -9.552 -0.095 -3.410 331 H GLY 73 HN GLY 73 -5.215 -1.688 -0.937 332 1HA GLY 73 HA2 GLY 73 -6.354 -1.943 1.660 333 2HA GLY 73 HA1 GLY 73 -4.939 -2.795 1.064 334 H LEU 74 HN LEU 74 -3.610 -0.179 0.439 335 HA LEU 74 HA LEU 74 -2.550 0.237 3.128 336 1HB LEU 74 HB2 LEU 74 -1.625 1.286 0.450 337 2HB LEU 74 HB1 LEU 74 -0.811 1.581 1.974 338 HG LEU 74 HG LEU 74 0.400 -0.147 0.934 339 1HD1 LEU 74 HD11 LEU 74 -1.310 -0.906 3.203 340 2HD1 LEU 74 HD12 LEU 74 0.439 -0.951 3.031 341 3HD1 LEU 74 HD13 LEU 74 -0.549 -2.240 2.344 342 1HD2 LEU 74 HD21 LEU 74 -0.515 -2.051 -0.124 343 2HD2 LEU 74 HD22 LEU 74 -1.442 -0.669 -0.707 344 3HD2 LEU 74 HD23 LEU 74 -2.123 -1.730 0.526 345 H ILE 75 HN ILE 75 -4.276 2.013 0.630 346 HA ILE 75 HA ILE 75 -4.051 4.572 1.809 347 HB ILE 75 HB ILE 75 -5.856 5.286 0.364 348 1HG1 ILE 75 HG12 ILE 75 -6.261 2.350 -0.214 349 2HG1 ILE 75 HG11 ILE 75 -7.385 3.413 0.624 350 1HG2 ILE 75 HG21 ILE 75 -4.407 5.342 -1.291 351 2HG2 ILE 75 HG22 ILE 75 -4.730 3.655 -1.672 352 3HG2 ILE 75 HG23 ILE 75 -3.474 4.070 -0.505 353 1HD1 ILE 75 HD11 ILE 75 -8.027 2.972 -1.706 354 2HD1 ILE 75 HD12 ILE 75 -6.534 3.744 -2.240 355 3HD1 ILE 75 HD13 ILE 75 -7.755 4.683 -1.381 356 H ALA 76 HN ALA 76 -6.601 2.141 2.010 357 HA ALA 76 HA ALA 76 -8.469 3.592 3.452 358 1HB ALA 76 HB1 ALA 76 -8.272 0.696 4.029 359 2HB ALA 76 HB2 ALA 76 -8.481 1.170 2.343 360 3HB ALA 76 HB3 ALA 76 -9.662 1.672 3.554 361 H MET 77 HN MET 77 -5.470 2.269 4.565 362 HA MET 77 HA MET 77 -6.379 2.634 7.347 363 1HB MET 77 HB2 MET 77 -4.586 0.699 6.086 364 2HB MET 77 HB1 MET 77 -3.880 1.455 7.509 365 1HG MET 77 HG2 MET 77 -5.416 0.544 8.932 366 2HG MET 77 HG1 MET 77 -6.657 0.415 7.687 367 1HE MET 77 HE1 MET 77 -3.047 -2.195 8.409 368 2HE MET 77 HE2 MET 77 -3.102 -0.441 8.234 369 3HE MET 77 HE3 MET 77 -2.955 -1.466 6.806 370 H LYS 78 HN LYS 78 -4.457 3.301 8.833 371 HA LYS 78 HA LYS 78 -3.658 5.906 7.923 372 1HB LYS 78 HB2 LYS 78 -2.871 6.258 10.169 373 2HB LYS 78 HB1 LYS 78 -4.415 5.424 10.254 374 1HG LYS 78 HG2 LYS 78 -3.398 3.382 10.842 375 2HG LYS 78 HG1 LYS 78 -1.793 3.969 10.403 376 1HD LYS 78 HD2 LYS 78 -1.526 4.472 12.561 377 2HD LYS 78 HD1 LYS 78 -2.666 5.791 12.294 378 1HE LYS 78 HE2 LYS 78 -3.850 4.807 13.927 379 2HE LYS 78 HE1 LYS 78 -4.355 3.694 12.656 380 1HZ LYS 78 HZ1 LYS 78 -2.855 2.087 13.361 381 2HZ LYS 78 HZ2 LYS 78 -3.443 2.720 14.815 382 3HZ LYS 78 HZ3 LYS 78 -1.919 3.185 14.246 383 H VAL 79 HN VAL 79 -1.131 6.108 9.330 384 HA VAL 79 HA VAL 79 0.552 4.678 7.403 385 HB VAL 79 HB VAL 79 0.856 7.281 8.896 386 1HG1 VAL 79 HG11 VAL 79 3.060 5.808 7.469 387 2HG1 VAL 79 HG12 VAL 79 2.976 6.134 9.197 388 3HG1 VAL 79 HG13 VAL 79 3.151 7.466 8.055 389 1HG2 VAL 79 HG21 VAL 79 1.610 7.785 6.379 390 2HG2 VAL 79 HG22 VAL 79 -0.068 7.859 6.918 391 3HG2 VAL 79 HG23 VAL 79 0.530 6.421 6.091 392 H ASN 80 HN ASN 80 2.669 3.942 8.226 393 HA ASN 80 HA ASN 80 4.004 2.798 9.669 394 1HB ASN 80 HB2 ASN 80 3.264 4.979 11.111 395 2HB ASN 80 HB1 ASN 80 2.643 3.689 12.135 396 1HD2 ASN 80 HD21 ASN 80 4.168 1.986 12.734 397 2HD2 ASN 80 HD22 ASN 80 5.826 2.406 12.975 398 H GLN 81 HN GLN 81 1.215 1.900 8.831 399 HA GLN 81 HA GLN 81 0.652 -0.002 10.996 400 1HB GLN 81 HB2 GLN 81 -0.934 1.098 8.719 401 2HB GLN 81 HB1 GLN 81 -1.344 -0.501 9.326 402 1HG GLN 81 HG2 GLN 81 -1.235 2.016 10.973 403 2HG GLN 81 HG1 GLN 81 -2.699 1.260 10.346 404 1HE2 GLN 81 HE21 GLN 81 -2.987 -1.061 10.993 405 2HE2 GLN 81 HE22 GLN 81 -2.590 -1.476 12.623 406 H LYS 82 HN LYS 82 1.116 -2.106 10.831 407 HA LYS 82 HA LYS 82 2.464 -3.040 8.430 408 1HB LYS 82 HB2 LYS 82 2.772 -3.540 11.159 409 2HB LYS 82 HB1 LYS 82 2.113 -5.034 10.511 410 1HG LYS 82 HG2 LYS 82 4.109 -5.598 9.753 411 2HG LYS 82 HG1 LYS 82 4.147 -4.150 8.746 412 1HD LYS 82 HD2 LYS 82 5.686 -3.211 10.054 413 2HD LYS 82 HD1 LYS 82 4.695 -3.472 11.490 414 1HE LYS 82 HE2 LYS 82 5.625 -5.987 10.984 415 2HE LYS 82 HE1 LYS 82 6.987 -4.990 10.474 416 1HZ LYS 82 HZ1 LYS 82 6.663 -5.761 12.965 417 2HZ LYS 82 HZ2 LYS 82 5.742 -4.343 13.034 418 3HZ LYS 82 HZ3 LYS 82 7.368 -4.273 12.574 419 H LYS 83 HN LYS 83 0.943 -3.409 6.883 420 HA LYS 83 HA LYS 83 -1.349 -5.094 7.552 421 1HB LYS 83 HB2 LYS 83 -1.823 -3.044 6.329 422 2HB LYS 83 HB1 LYS 83 -0.710 -3.520 5.054 423 1HG LYS 83 HG2 LYS 83 -2.925 -3.934 4.293 424 2HG LYS 83 HG1 LYS 83 -2.165 -5.493 4.614 425 1HD LYS 83 HD2 LYS 83 -3.909 -5.996 5.904 426 2HD LYS 83 HD1 LYS 83 -3.369 -4.744 7.025 427 1HE LYS 83 HE2 LYS 83 -4.664 -3.099 5.608 428 2HE LYS 83 HE1 LYS 83 -5.361 -4.492 4.782 429 1HZ LYS 83 HZ1 LYS 83 -5.500 -4.163 7.721 430 2HZ LYS 83 HZ2 LYS 83 -6.405 -5.205 6.744 431 3HZ LYS 83 HZ3 LYS 83 -6.683 -3.538 6.685 432 H THR 84 HN THR 84 -0.465 -7.154 7.674 433 HA THR 84 HA THR 84 1.133 -8.185 5.488 434 HB THR 84 HB THR 84 -0.009 -9.919 7.638 435 HG1 THR 84 HG1 THR 84 0.802 -8.583 9.044 436 1HG2 THR 84 HG21 THR 84 1.881 -10.308 5.657 437 2HG2 THR 84 HG22 THR 84 1.570 -11.348 7.048 438 3HG2 THR 84 HG23 THR 84 2.820 -10.107 7.137 439 H LEU 85 HN LEU 85 -0.666 -7.664 3.964 440 HA LEU 85 HA LEU 85 -2.914 -9.515 4.021 441 1HB LEU 85 HB2 LEU 85 -3.289 -7.137 3.537 442 2HB LEU 85 HB1 LEU 85 -2.263 -7.266 2.121 443 HG LEU 85 HG LEU 85 -4.553 -9.134 2.232 444 1HD1 LEU 85 HD11 LEU 85 -4.914 -6.174 1.775 445 2HD1 LEU 85 HD12 LEU 85 -5.598 -7.121 3.097 446 3HD1 LEU 85 HD13 LEU 85 -6.120 -7.417 1.439 447 1HD2 LEU 85 HD21 LEU 85 -2.888 -7.730 0.252 448 2HD2 LEU 85 HD22 LEU 85 -4.583 -7.942 -0.186 449 3HD2 LEU 85 HD23 LEU 85 -3.591 -9.346 0.207 450 H ALA 86 HN ALA 86 -3.236 -11.160 2.603 451 HA ALA 86 HA ALA 86 -0.974 -11.963 0.963 452 1HB ALA 86 HB1 ALA 86 -1.925 -14.104 0.892 453 2HB ALA 86 HB2 ALA 86 -3.536 -13.495 1.269 454 3HB ALA 86 HB3 ALA 86 -2.289 -13.517 2.515 455 H LEU 87 HN LEU 87 -1.165 -10.320 -0.650 456 HA LEU 87 HA LEU 87 -3.576 -10.299 -2.262 457 1HB LEU 87 HB2 LEU 87 -2.531 -8.440 -3.457 458 2HB LEU 87 HB1 LEU 87 -2.597 -8.171 -1.729 459 HG LEU 87 HG LEU 87 -0.113 -9.183 -1.914 460 1HD1 LEU 87 HD11 LEU 87 -0.355 -7.578 -4.438 461 2HD1 LEU 87 HD12 LEU 87 -0.480 -9.338 -4.437 462 3HD1 LEU 87 HD13 LEU 87 1.000 -8.558 -3.877 463 1HD2 LEU 87 HD21 LEU 87 0.570 -6.698 -2.199 464 2HD2 LEU 87 HD22 LEU 87 -0.391 -7.169 -0.798 465 3HD2 LEU 87 HD23 LEU 87 -1.166 -6.395 -2.179 466 H THR 88 HN THR 88 -3.765 -10.915 -4.349 467 HA THR 88 HA THR 88 -1.717 -12.738 -5.364 468 HB THR 88 HB THR 88 -4.387 -12.176 -6.644 469 HG1 THR 88 HG1 THR 88 -5.380 -13.413 -5.228 470 1HG2 THR 88 HG21 THR 88 -3.614 -13.701 -8.062 471 2HG2 THR 88 HG22 THR 88 -3.908 -14.865 -6.771 472 3HG2 THR 88 HG23 THR 88 -2.302 -14.170 -6.983 473 H PHE 89 HN PHE 89 -1.395 -12.622 -7.838 474 HA PHE 89 HA PHE 89 -1.300 -9.800 -8.659 475 1HB PHE 89 HB2 PHE 89 0.871 -11.852 -8.691 476 2HB PHE 89 HB1 PHE 89 0.841 -10.616 -9.946 477 HD1 PHE 89 HD1 PHE 89 2.468 -11.353 -7.116 478 HD2 PHE 89 HD2 PHE 89 0.069 -8.212 -8.691 479 HE1 PHE 89 HE1 PHE 89 3.555 -9.760 -5.588 480 HE2 PHE 89 HE2 PHE 89 1.152 -6.614 -7.167 481 HZ PHE 89 HZ PHE 89 2.896 -7.386 -5.616 482 HA PRO 90 HA PRO 90 -3.468 -11.425 -12.192 483 1HB PRO 90 HB2 PRO 90 -3.807 -9.119 -13.507 484 2HB PRO 90 HB1 PRO 90 -4.662 -9.448 -11.993 485 1HG PRO 90 HG2 PRO 90 -2.172 -7.837 -12.444 486 2HG PRO 90 HG1 PRO 90 -3.600 -7.432 -11.472 487 1HD PRO 90 HD2 PRO 90 -1.306 -8.436 -10.405 488 2HD PRO 90 HD1 PRO 90 -2.910 -8.724 -9.701 489 H SER 91 HN SER 91 -3.307 -11.236 -14.615 490 HA SER 91 HA SER 91 -0.757 -11.993 -15.490 491 1HB SER 91 HB2 SER 91 -1.711 -11.996 -17.733 492 2HB SER 91 HB1 SER 91 -2.859 -12.689 -16.588 493 HG SER 91 HG SER 91 -4.011 -10.775 -16.620 494 H ASP 92 HN ASP 92 -2.463 -8.914 -15.695 495 HA ASP 92 HA ASP 92 -0.972 -7.501 -17.472 496 1HB ASP 92 HB2 ASP 92 -1.553 -5.476 -16.251 497 2HB ASP 92 HB1 ASP 92 -2.919 -6.586 -16.278 498 H TYR 93 HN TYR 93 0.075 -8.561 -14.310 499 HA TYR 93 HA TYR 93 2.162 -6.847 -13.782 500 1HB TYR 93 HB2 TYR 93 1.271 -9.210 -12.693 501 2HB TYR 93 HB1 TYR 93 2.884 -9.630 -13.267 502 HD1 TYR 93 HD1 TYR 93 0.993 -7.345 -11.063 503 HD2 TYR 93 HD2 TYR 93 4.832 -8.801 -12.175 504 HE1 TYR 93 HE1 TYR 93 1.974 -6.241 -9.099 505 HE2 TYR 93 HE2 TYR 93 5.823 -7.706 -10.209 506 HH TYR 93 HH TYR 93 5.195 -6.853 -8.062 507 H HIS 94 HN HIS 94 4.166 -6.502 -14.512 508 HA HIS 94 HA HIS 94 4.891 -7.133 -17.101 509 1HB HIS 94 HB2 HIS 94 5.899 -5.515 -15.138 510 2HB HIS 94 HB1 HIS 94 7.170 -6.724 -15.292 511 HD1 HIS 94 HD1 HIS 94 7.063 -3.586 -16.263 512 HD2 HIS 94 HD2 HIS 94 7.019 -7.025 -18.596 513 HE1 HIS 94 HE1 HIS 94 7.904 -2.876 -18.524 514 HE2 HIS 94 HE2 HIS 94 7.948 -4.990 -19.894 515 H VAL 95 HN VAL 95 5.327 -9.022 -14.209 516 HA VAL 95 HA VAL 95 7.148 -10.828 -15.614 517 HB VAL 95 HB VAL 95 7.734 -10.104 -13.317 518 1HG1 VAL 95 HG11 VAL 95 6.335 -10.280 -11.616 519 2HG1 VAL 95 HG12 VAL 95 5.973 -11.968 -11.990 520 3HG1 VAL 95 HG13 VAL 95 5.082 -10.670 -12.793 521 1HG2 VAL 95 HG21 VAL 95 7.877 -12.663 -12.516 522 2HG2 VAL 95 HG22 VAL 95 8.925 -11.977 -13.757 523 3HG2 VAL 95 HG23 VAL 95 7.499 -12.905 -14.221 524 H LYS 96 HN LYS 96 6.483 -12.577 -16.493 525 HA LYS 96 HA LYS 96 3.862 -13.393 -16.816 526 1HB LYS 96 HB2 LYS 96 6.493 -14.743 -17.178 527 2HB LYS 96 HB1 LYS 96 5.042 -15.735 -17.246 528 1HG LYS 96 HG2 LYS 96 5.388 -15.176 -19.458 529 2HG LYS 96 HG1 LYS 96 4.199 -13.979 -18.939 530 1HD LYS 96 HD2 LYS 96 5.827 -12.781 -20.160 531 2HD LYS 96 HD1 LYS 96 6.160 -12.445 -18.460 532 1HE LYS 96 HE2 LYS 96 7.745 -14.540 -18.723 533 2HE LYS 96 HE1 LYS 96 7.702 -14.067 -20.421 534 1HZ LYS 96 HZ1 LYS 96 9.520 -12.942 -19.521 535 2HZ LYS 96 HZ2 LYS 96 8.692 -12.511 -18.111 536 3HZ LYS 96 HZ3 LYS 96 8.305 -11.766 -19.579 537 H GLU 97 HN GLU 97 6.204 -14.479 -14.427 538 HA GLU 97 HA GLU 97 4.803 -16.582 -13.305 539 1HB GLU 97 HB2 GLU 97 6.386 -14.795 -11.520 540 2HB GLU 97 HB1 GLU 97 6.315 -16.550 -11.560 541 1HG GLU 97 HG2 GLU 97 7.431 -16.129 -13.943 542 2HG GLU 97 HG1 GLU 97 7.987 -14.676 -13.112 543 H LEU 98 HN LEU 98 4.783 -13.201 -12.221 544 HA LEU 98 HA LEU 98 2.843 -13.723 -10.202 545 1HB LEU 98 HB2 LEU 98 4.058 -11.233 -11.312 546 2HB LEU 98 HB1 LEU 98 2.687 -11.135 -10.235 547 HG LEU 98 HG LEU 98 3.919 -11.551 -8.423 548 1HD1 LEU 98 HD11 LEU 98 5.432 -13.601 -10.017 549 2HD1 LEU 98 HD12 LEU 98 4.187 -13.886 -8.801 550 3HD1 LEU 98 HD13 LEU 98 5.754 -13.236 -8.323 551 1HD2 LEU 98 HD21 LEU 98 6.448 -11.334 -9.972 552 2HD2 LEU 98 HD22 LEU 98 5.975 -10.541 -8.465 553 3HD2 LEU 98 HD23 LEU 98 5.312 -9.985 -10.003 554 H GLN 99 HN GLN 99 2.358 -13.909 -13.370 555 HA GLN 99 HA GLN 99 0.163 -12.298 -13.923 556 1HB GLN 99 HB2 GLN 99 0.895 -15.074 -14.857 557 2HB GLN 99 HB1 GLN 99 -0.525 -14.229 -15.455 558 1HG GLN 99 HG2 GLN 99 0.800 -12.531 -16.452 559 2HG GLN 99 HG1 GLN 99 2.256 -13.108 -15.643 560 1HE2 GLN 99 HE21 GLN 99 1.762 -12.716 -18.477 561 2HE2 GLN 99 HE22 GLN 99 2.019 -14.249 -19.232 562 H SER 100 HN SER 100 0.458 -15.406 -12.301 563 HA SER 100 HA SER 100 -2.177 -14.983 -11.073 564 1HB SER 100 HB2 SER 100 -2.137 -16.623 -13.144 565 2HB SER 100 HB1 SER 100 -1.479 -17.754 -11.963 566 HG SER 100 HG SER 100 -3.741 -17.889 -12.032 567 H LYS 101 HN LYS 101 -0.218 -14.347 -9.548 568 HA LYS 101 HA LYS 101 0.490 -16.768 -8.019 569 1HB LYS 101 HB2 LYS 101 2.330 -15.424 -9.248 570 2HB LYS 101 HB1 LYS 101 2.142 -14.274 -7.931 571 1HG LYS 101 HG2 LYS 101 3.247 -15.569 -6.490 572 2HG LYS 101 HG1 LYS 101 2.418 -17.032 -7.026 573 1HD LYS 101 HD2 LYS 101 4.083 -17.604 -8.421 574 2HD LYS 101 HD1 LYS 101 4.311 -15.946 -8.980 575 1HE LYS 101 HE2 LYS 101 5.644 -15.412 -7.069 576 2HE LYS 101 HE1 LYS 101 5.261 -16.954 -6.305 577 1HZ LYS 101 HZ1 LYS 101 6.496 -17.107 -8.930 578 2HZ LYS 101 HZ2 LYS 101 6.768 -18.044 -7.548 579 3HZ LYS 101 HZ3 LYS 101 7.483 -16.518 -7.688 580 HA PRO 102 HA PRO 102 -1.905 -14.479 -4.870 581 1HB PRO 102 HB2 PRO 102 -2.345 -16.647 -3.302 582 2HB PRO 102 HB1 PRO 102 -3.331 -16.299 -4.727 583 1HG PRO 102 HG2 PRO 102 -1.044 -18.208 -4.426 584 2HG PRO 102 HG1 PRO 102 -2.595 -18.442 -5.254 585 1HD PRO 102 HD2 PRO 102 -0.309 -17.850 -6.581 586 2HD PRO 102 HD1 PRO 102 -1.904 -17.309 -7.138 587 H VAL 103 HN VAL 103 -0.005 -13.358 -4.240 588 HA VAL 103 HA VAL 103 1.901 -14.768 -2.537 589 HB VAL 103 HB VAL 103 2.766 -13.397 -4.363 590 1HG1 VAL 103 HG11 VAL 103 1.416 -11.124 -2.911 591 2HG1 VAL 103 HG12 VAL 103 1.074 -11.709 -4.539 592 3HG1 VAL 103 HG13 VAL 103 2.609 -10.916 -4.194 593 1HG2 VAL 103 HG21 VAL 103 4.463 -12.228 -3.127 594 2HG2 VAL 103 HG22 VAL 103 4.066 -13.719 -2.274 595 3HG2 VAL 103 HG23 VAL 103 3.442 -12.177 -1.690 596 H THR 104 HN THR 104 2.684 -13.859 -0.590 597 HA THR 104 HA THR 104 0.628 -12.478 0.975 598 HB THR 104 HB THR 104 2.915 -13.471 2.473 599 HG1 THR 104 HG1 THR 104 2.210 -15.704 2.203 600 1HG2 THR 104 HG21 THR 104 1.355 -13.521 4.028 601 2HG2 THR 104 HG22 THR 104 0.562 -14.842 3.171 602 3HG2 THR 104 HG23 THR 104 0.111 -13.172 2.828 603 H PHE 105 HN PHE 105 0.898 -10.392 0.648 604 HA PHE 105 HA PHE 105 3.596 -9.261 0.714 605 1HB PHE 105 HB2 PHE 105 0.996 -8.509 -0.457 606 2HB PHE 105 HB1 PHE 105 1.957 -7.171 0.160 607 HD1 PHE 105 HD1 PHE 105 3.224 -10.287 -1.380 608 HD2 PHE 105 HD2 PHE 105 2.569 -6.112 -1.819 609 HE1 PHE 105 HE1 PHE 105 4.559 -10.299 -3.446 610 HE2 PHE 105 HE2 PHE 105 3.907 -6.113 -3.882 611 HZ PHE 105 HZ PHE 105 4.897 -8.208 -4.699 612 H GLU 106 HN GLU 106 4.308 -8.499 2.624 613 HA GLU 106 HA GLU 106 2.349 -7.552 4.588 614 1HB GLU 106 HB2 GLU 106 4.106 -7.665 6.239 615 2HB GLU 106 HB1 GLU 106 4.090 -9.181 5.353 616 1HG GLU 106 HG2 GLU 106 6.253 -8.924 5.012 617 2HG GLU 106 HG1 GLU 106 5.879 -7.551 3.976 618 H VAL 107 HN VAL 107 1.775 -5.586 3.861 619 HA VAL 107 HA VAL 107 3.813 -3.730 2.959 620 HB VAL 107 HB VAL 107 1.030 -2.791 3.176 621 1HG1 VAL 107 HG11 VAL 107 2.201 -2.621 0.579 622 2HG1 VAL 107 HG12 VAL 107 3.382 -2.126 1.792 623 3HG1 VAL 107 HG13 VAL 107 1.813 -1.328 1.713 624 1HG2 VAL 107 HG21 VAL 107 0.468 -4.009 1.016 625 2HG2 VAL 107 HG22 VAL 107 0.441 -4.972 2.493 626 3HG2 VAL 107 HG23 VAL 107 1.815 -5.083 1.393 627 H VAL 108 HN VAL 108 4.836 -2.467 4.369 628 HA VAL 108 HA VAL 108 3.662 -1.839 6.928 629 HB VAL 108 HB VAL 108 6.308 -1.582 5.602 630 1HG1 VAL 108 HG11 VAL 108 6.944 -0.151 7.742 631 2HG1 VAL 108 HG12 VAL 108 5.271 0.386 7.590 632 3HG1 VAL 108 HG13 VAL 108 6.396 0.621 6.253 633 1HG2 VAL 108 HG21 VAL 108 6.972 -2.269 8.001 634 2HG2 VAL 108 HG22 VAL 108 6.149 -3.441 6.972 635 3HG2 VAL 108 HG23 VAL 108 5.249 -2.575 8.218 636 H LEU 109 HN LEU 109 1.899 -0.619 6.298 637 HA LEU 109 HA LEU 109 1.645 1.339 4.454 638 1HB LEU 109 HB2 LEU 109 0.126 0.305 6.489 639 2HB LEU 109 HB1 LEU 109 0.225 2.010 6.888 640 HG LEU 109 HG LEU 109 -0.756 0.857 4.277 641 1HD1 LEU 109 HD11 LEU 109 -2.797 0.853 5.141 642 2HD1 LEU 109 HD12 LEU 109 -2.612 2.504 5.732 643 3HD1 LEU 109 HD13 LEU 109 -2.071 1.148 6.721 644 1HD2 LEU 109 HD21 LEU 109 -0.946 2.961 3.423 645 2HD2 LEU 109 HD22 LEU 109 0.488 3.186 4.425 646 3HD2 LEU 109 HD23 LEU 109 -1.089 3.715 5.011 647 H LYS 110 HN LYS 110 3.895 2.446 4.601 648 HA LYS 110 HA LYS 110 3.762 4.624 6.575 649 1HB LYS 110 HB2 LYS 110 5.951 3.087 5.403 650 2HB LYS 110 HB1 LYS 110 6.190 4.817 5.228 651 1HG LYS 110 HG2 LYS 110 5.500 4.765 7.799 652 2HG LYS 110 HG1 LYS 110 6.173 3.140 7.659 653 1HD LYS 110 HD2 LYS 110 7.802 5.221 6.396 654 2HD LYS 110 HD1 LYS 110 7.617 5.412 8.141 655 1HE LYS 110 HE2 LYS 110 8.172 2.842 8.149 656 2HE LYS 110 HE1 LYS 110 8.906 3.217 6.590 657 1HZ LYS 110 HZ1 LYS 110 9.549 4.858 8.949 658 2HZ LYS 110 HZ2 LYS 110 10.469 4.581 7.557 659 3HZ LYS 110 HZ3 LYS 110 10.319 3.368 8.725 660 H ALA 111 HN ALA 111 3.322 6.731 5.717 661 HA ALA 111 HA ALA 111 3.505 6.888 2.788 662 1HB ALA 111 HB1 ALA 111 1.245 6.206 3.364 663 2HB ALA 111 HB2 ALA 111 1.279 7.791 2.591 664 3HB ALA 111 HB3 ALA 111 1.049 7.666 4.335 665 H ILE 112 HN ILE 112 4.162 8.648 1.941 666 HA ILE 112 HA ILE 112 4.476 11.096 3.562 667 HB ILE 112 HB ILE 112 6.028 10.075 1.185 668 1HG1 ILE 112 HG12 ILE 112 7.068 10.918 3.883 669 2HG1 ILE 112 HG11 ILE 112 6.489 9.282 3.588 670 1HG2 ILE 112 HG21 ILE 112 6.170 12.776 2.517 671 2HG2 ILE 112 HG22 ILE 112 5.731 12.437 0.843 672 3HG2 ILE 112 HG23 ILE 112 7.380 12.147 1.398 673 1HD1 ILE 112 HD11 ILE 112 8.253 9.828 1.499 674 2HD1 ILE 112 HD12 ILE 112 8.526 8.780 2.891 675 3HD1 ILE 112 HD13 ILE 112 9.021 10.471 2.951 676 H LYS 113 HN LYS 113 3.400 13.010 2.744 677 HA LYS 113 HA LYS 113 1.866 12.578 0.298 678 1HB LYS 113 HB2 LYS 113 0.566 14.561 1.050 679 2HB LYS 113 HB1 LYS 113 0.545 13.237 2.206 680 1HG LYS 113 HG2 LYS 113 2.734 14.973 2.805 681 2HG LYS 113 HG1 LYS 113 1.254 15.921 2.650 682 1HD LYS 113 HD2 LYS 113 0.139 14.432 4.246 683 2HD LYS 113 HD1 LYS 113 1.623 13.490 4.401 684 1HE LYS 113 HE2 LYS 113 1.699 14.901 6.245 685 2HE LYS 113 HE1 LYS 113 2.713 15.729 5.065 686 1HZ LYS 113 HZ1 LYS 113 -0.109 16.426 5.041 687 2HZ LYS 113 HZ2 LYS 113 1.252 17.413 4.858 688 3HZ LYS 113 HZ3 LYS 113 0.763 16.926 6.403 Start of MODEL 7 1 H LYS 29 HN LYS 29 -8.021 10.084 5.479 2 HA LYS 29 HA LYS 29 -7.615 8.221 4.240 3 1HB LYS 29 HB2 LYS 29 -9.902 9.135 2.488 4 2HB LYS 29 HB1 LYS 29 -9.241 7.510 2.597 5 1HG LYS 29 HG2 LYS 29 -9.923 7.619 5.071 6 2HG LYS 29 HG1 LYS 29 -10.916 8.994 4.582 7 1HD LYS 29 HD2 LYS 29 -11.706 7.321 2.704 8 2HD LYS 29 HD1 LYS 29 -11.171 6.111 3.872 9 1HE LYS 29 HE2 LYS 29 -13.115 8.336 4.475 10 2HE LYS 29 HE1 LYS 29 -13.581 6.688 4.057 11 1HZ LYS 29 HZ1 LYS 29 -11.680 6.964 6.239 12 2HZ LYS 29 HZ2 LYS 29 -12.999 5.918 6.077 13 3HZ LYS 29 HZ3 LYS 29 -13.247 7.522 6.552 14 H LEU 30 HN LEU 30 -5.934 7.954 2.922 15 HA LEU 30 HA LEU 30 -5.233 10.074 1.067 16 1HB LEU 30 HB2 LEU 30 -3.492 9.121 2.480 17 2HB LEU 30 HB1 LEU 30 -3.808 7.524 1.830 18 HG LEU 30 HG LEU 30 -3.249 8.928 -0.446 19 1HD1 LEU 30 HD11 LEU 30 -1.222 9.897 1.538 20 2HD1 LEU 30 HD12 LEU 30 -2.642 10.857 1.121 21 3HD1 LEU 30 HD13 LEU 30 -1.479 10.414 -0.128 22 1HD2 LEU 30 HD21 LEU 30 -1.455 7.352 1.384 23 2HD2 LEU 30 HD22 LEU 30 -0.966 7.879 -0.227 24 3HD2 LEU 30 HD23 LEU 30 -2.334 6.783 -0.035 25 H ALA 31 HN ALA 31 -6.956 9.765 -0.460 26 HA ALA 31 HA ALA 31 -7.184 7.246 -1.819 27 1HB ALA 31 HB1 ALA 31 -8.576 9.022 -3.363 28 2HB ALA 31 HB2 ALA 31 -8.648 9.764 -1.765 29 3HB ALA 31 HB3 ALA 31 -9.225 8.112 -1.997 30 H ASN 32 HN ASN 32 -7.525 7.876 -4.436 31 HA ASN 32 HA ASN 32 -5.041 7.577 -5.545 32 1HB ASN 32 HB2 ASN 32 -7.714 8.208 -6.531 33 2HB ASN 32 HB1 ASN 32 -6.436 8.837 -7.565 34 1HD2 ASN 32 HD21 ASN 32 -6.380 5.925 -5.584 35 2HD2 ASN 32 HD22 ASN 32 -6.216 4.817 -6.900 36 H GLY 33 HN GLY 33 -4.467 9.243 -7.521 37 1HA GLY 33 HA2 GLY 33 -3.306 11.129 -8.045 38 2HA GLY 33 HA1 GLY 33 -4.508 11.989 -7.112 39 H ASP 34 HN ASP 34 -2.810 9.702 -5.250 40 HA ASP 34 HA ASP 34 -0.965 11.787 -4.283 41 1HB ASP 34 HB2 ASP 34 -2.690 9.835 -2.814 42 2HB ASP 34 HB1 ASP 34 -1.178 10.368 -2.085 43 H ILE 35 HN ILE 35 0.926 10.812 -3.028 44 HA ILE 35 HA ILE 35 1.942 8.474 -4.508 45 HB ILE 35 HB ILE 35 3.415 10.676 -3.097 46 1HG1 ILE 35 HG12 ILE 35 3.075 9.971 -6.000 47 2HG1 ILE 35 HG11 ILE 35 2.531 11.432 -5.182 48 1HG2 ILE 35 HG21 ILE 35 5.296 9.512 -3.106 49 2HG2 ILE 35 HG22 ILE 35 5.029 8.957 -4.758 50 3HG2 ILE 35 HG23 ILE 35 4.301 8.089 -3.408 51 1HD1 ILE 35 HD11 ILE 35 4.983 10.954 -6.509 52 2HD1 ILE 35 HD12 ILE 35 5.327 11.219 -4.800 53 3HD1 ILE 35 HD13 ILE 35 4.426 12.426 -5.716 54 H ALA 36 HN ALA 36 1.971 6.572 -3.287 55 HA ALA 36 HA ALA 36 1.870 6.868 -0.380 56 1HB ALA 36 HB1 ALA 36 1.348 4.270 -1.697 57 2HB ALA 36 HB2 ALA 36 0.168 5.564 -1.907 58 3HB ALA 36 HB3 ALA 36 0.586 5.007 -0.287 59 H ILE 37 HN ILE 37 3.913 6.782 0.472 60 HA ILE 37 HA ILE 37 5.891 4.962 -0.605 61 HB ILE 37 HB ILE 37 7.001 6.849 0.096 62 1HG1 ILE 37 HG12 ILE 37 7.294 4.606 1.866 63 2HG1 ILE 37 HG11 ILE 37 8.514 5.710 1.266 64 1HG2 ILE 37 HG21 ILE 37 6.527 8.089 2.184 65 2HG2 ILE 37 HG22 ILE 37 5.173 7.002 2.467 66 3HG2 ILE 37 HG23 ILE 37 5.180 8.049 1.049 67 1HD1 ILE 37 HD11 ILE 37 8.806 6.252 3.399 68 2HD1 ILE 37 HD12 ILE 37 7.277 5.527 3.886 69 3HD1 ILE 37 HD13 ILE 37 7.310 7.170 3.252 70 H ILE 38 HN ILE 38 4.553 3.095 -0.249 71 HA ILE 38 HA ILE 38 4.133 2.358 2.534 72 HB ILE 38 HB ILE 38 2.796 0.518 1.715 73 1HG1 ILE 38 HG12 ILE 38 4.140 0.286 -0.469 74 2HG1 ILE 38 HG11 ILE 38 2.406 0.029 -0.547 75 1HG2 ILE 38 HG21 ILE 38 1.781 2.855 0.198 76 2HG2 ILE 38 HG22 ILE 38 2.092 3.039 1.923 77 3HG2 ILE 38 HG23 ILE 38 0.966 1.807 1.358 78 1HD1 ILE 38 HD11 ILE 38 2.551 1.365 -2.332 79 2HD1 ILE 38 HD12 ILE 38 4.073 2.081 -1.807 80 3HD1 ILE 38 HD13 ILE 38 2.548 2.663 -1.139 81 H ASP 39 HN ASP 39 5.204 0.835 3.610 82 HA ASP 39 HA ASP 39 7.387 -0.586 2.273 83 1HB ASP 39 HB2 ASP 39 6.694 -0.700 5.213 84 2HB ASP 39 HB1 ASP 39 8.227 -1.089 4.450 85 H PHE 40 HN PHE 40 6.155 -1.939 1.057 86 HA PHE 40 HA PHE 40 4.381 -3.782 2.466 87 1HB PHE 40 HB2 PHE 40 3.351 -4.293 0.411 88 2HB PHE 40 HB1 PHE 40 3.686 -2.572 0.334 89 HD1 PHE 40 HD1 PHE 40 5.176 -1.664 -1.274 90 HD2 PHE 40 HD2 PHE 40 4.684 -5.877 -0.925 91 HE1 PHE 40 HE1 PHE 40 6.321 -1.972 -3.430 92 HE2 PHE 40 HE2 PHE 40 5.834 -6.192 -3.078 93 HZ PHE 40 HZ PHE 40 6.652 -4.238 -4.334 94 H THR 41 HN THR 41 5.063 -5.661 3.141 95 HA THR 41 HA THR 41 7.481 -6.845 2.029 96 HB THR 41 HB THR 41 6.076 -8.220 4.227 97 HG1 THR 41 HG1 THR 41 6.611 -6.648 5.732 98 1HG2 THR 41 HG21 THR 41 8.729 -7.294 4.805 99 2HG2 THR 41 HG22 THR 41 8.679 -8.113 3.243 100 3HG2 THR 41 HG23 THR 41 8.110 -8.941 4.693 101 H GLY 42 HN GLY 42 7.337 -8.311 0.445 102 1HA GLY 42 HA2 GLY 42 4.870 -9.617 -0.236 103 2HA GLY 42 HA1 GLY 42 6.437 -9.845 -1.002 104 H ILE 43 HN ILE 43 4.488 -10.757 1.794 105 HA ILE 43 HA ILE 43 6.271 -12.974 2.390 106 HB ILE 43 HB ILE 43 3.675 -12.937 3.735 107 1HG1 ILE 43 HG12 ILE 43 4.804 -10.420 3.405 108 2HG1 ILE 43 HG11 ILE 43 3.648 -10.876 4.644 109 1HG2 ILE 43 HG21 ILE 43 6.537 -13.269 4.527 110 2HG2 ILE 43 HG22 ILE 43 5.232 -14.454 4.551 111 3HG2 ILE 43 HG23 ILE 43 5.254 -13.143 5.730 112 1HD1 ILE 43 HD11 ILE 43 5.477 -11.341 6.181 113 2HD1 ILE 43 HD12 ILE 43 5.562 -9.690 5.566 114 3HD1 ILE 43 HD13 ILE 43 6.645 -10.926 4.926 115 H VAL 44 HN VAL 44 6.086 -14.836 1.335 116 HA VAL 44 HA VAL 44 3.619 -15.481 -0.056 117 HB VAL 44 HB VAL 44 5.727 -15.724 -1.269 118 1HG1 VAL 44 HG11 VAL 44 6.809 -16.622 1.027 119 2HG1 VAL 44 HG12 VAL 44 7.521 -16.895 -0.563 120 3HG1 VAL 44 HG13 VAL 44 6.540 -18.151 0.191 121 1HG2 VAL 44 HG21 VAL 44 4.438 -17.172 -2.378 122 2HG2 VAL 44 HG22 VAL 44 3.785 -17.862 -0.893 123 3HG2 VAL 44 HG23 VAL 44 5.328 -18.434 -1.527 124 H ASP 45 HN ASP 45 2.414 -15.872 1.929 125 HA ASP 45 HA ASP 45 1.441 -17.220 3.482 126 1HB ASP 45 HB2 ASP 45 2.331 -18.982 1.310 127 2HB ASP 45 HB1 ASP 45 2.061 -19.809 2.841 128 H ASN 46 HN ASN 46 3.029 -16.349 5.046 129 HA ASN 46 HA ASN 46 4.165 -16.819 6.984 130 1HB ASN 46 HB2 ASN 46 3.570 -19.415 6.128 131 2HB ASN 46 HB1 ASN 46 5.309 -19.406 6.412 132 1HD2 ASN 46 HD21 ASN 46 5.487 -17.617 8.491 133 2HD2 ASN 46 HD22 ASN 46 4.704 -18.275 9.883 134 H LYS 47 HN LYS 47 5.578 -17.704 3.892 135 HA LYS 47 HA LYS 47 8.214 -17.154 4.937 136 1HB LYS 47 HB2 LYS 47 7.188 -18.120 2.281 137 2HB LYS 47 HB1 LYS 47 8.854 -17.589 2.465 138 1HG LYS 47 HG2 LYS 47 7.578 -19.762 4.111 139 2HG LYS 47 HG1 LYS 47 8.541 -20.040 2.658 140 1HD LYS 47 HD2 LYS 47 10.488 -19.632 3.719 141 2HD LYS 47 HD1 LYS 47 9.805 -18.322 4.683 142 1HE LYS 47 HE2 LYS 47 10.397 -20.055 6.194 143 2HE LYS 47 HE1 LYS 47 8.639 -20.074 6.053 144 1HZ LYS 47 HZ1 LYS 47 10.176 -21.803 4.261 145 2HZ LYS 47 HZ2 LYS 47 8.655 -22.051 4.959 146 3HZ LYS 47 HZ3 LYS 47 10.054 -22.263 5.885 147 H LYS 48 HN LYS 48 9.487 -15.414 4.398 148 HA LYS 48 HA LYS 48 8.144 -13.252 2.904 149 1HB LYS 48 HB2 LYS 48 9.285 -11.643 4.363 150 2HB LYS 48 HB1 LYS 48 8.261 -12.729 5.291 151 1HG LYS 48 HG2 LYS 48 10.661 -14.029 5.346 152 2HG LYS 48 HG1 LYS 48 11.151 -12.335 5.382 153 1HD LYS 48 HD2 LYS 48 9.534 -11.992 7.259 154 2HD LYS 48 HD1 LYS 48 9.274 -13.737 7.280 155 1HE LYS 48 HE2 LYS 48 10.891 -13.477 8.907 156 2HE LYS 48 HE1 LYS 48 11.863 -13.852 7.484 157 1HZ LYS 48 HZ1 LYS 48 11.313 -11.106 8.470 158 2HZ LYS 48 HZ2 LYS 48 12.341 -11.532 7.196 159 3HZ LYS 48 HZ3 LYS 48 12.733 -11.972 8.782 160 H LEU 49 HN LEU 49 9.125 -13.381 0.941 161 HA LEU 49 HA LEU 49 12.003 -13.765 0.781 162 1HB LEU 49 HB2 LEU 49 11.559 -13.695 -1.718 163 2HB LEU 49 HB1 LEU 49 10.891 -15.043 -0.824 164 HG LEU 49 HG LEU 49 9.458 -13.902 -2.643 165 1HD1 LEU 49 HD11 LEU 49 8.855 -15.352 -0.366 166 2HD1 LEU 49 HD12 LEU 49 7.794 -15.058 -1.744 167 3HD1 LEU 49 HD13 LEU 49 7.721 -14.001 -0.333 168 1HD2 LEU 49 HD21 LEU 49 8.052 -12.062 -1.789 169 2HD2 LEU 49 HD22 LEU 49 9.745 -11.606 -1.972 170 3HD2 LEU 49 HD23 LEU 49 9.094 -11.955 -0.371 171 H ALA 50 HN ALA 50 12.932 -12.385 -1.236 172 HA ALA 50 HA ALA 50 12.735 -9.618 -0.330 173 1HB ALA 50 HB1 ALA 50 14.962 -10.397 -0.412 174 2HB ALA 50 HB2 ALA 50 14.770 -9.324 -1.799 175 3HB ALA 50 HB3 ALA 50 14.745 -11.073 -2.026 176 H SER 51 HN SER 51 11.537 -11.567 -2.825 177 HA SER 51 HA SER 51 11.580 -9.918 -5.055 178 1HB SER 51 HB2 SER 51 10.829 -12.238 -5.161 179 2HB SER 51 HB1 SER 51 9.411 -11.840 -4.192 180 HG SER 51 HG SER 51 8.777 -10.420 -5.900 181 H ALA 52 HN ALA 52 8.539 -10.368 -3.285 182 HA ALA 52 HA ALA 52 7.777 -7.704 -4.058 183 1HB ALA 52 HB1 ALA 52 6.407 -10.106 -3.175 184 2HB ALA 52 HB2 ALA 52 5.833 -8.783 -4.189 185 3HB ALA 52 HB3 ALA 52 5.753 -8.645 -2.431 186 H SER 53 HN SER 53 9.906 -8.212 -1.929 187 HA SER 53 HA SER 53 8.670 -7.067 0.441 188 1HB SER 53 HB2 SER 53 11.171 -8.493 -0.172 189 2HB SER 53 HB1 SER 53 11.328 -7.208 1.023 190 HG SER 53 HG SER 53 9.888 -9.595 1.143 191 H ALA 54 HN ALA 54 8.159 -4.965 -0.266 192 HA ALA 54 HA ALA 54 10.492 -3.252 -0.792 193 1HB ALA 54 HB1 ALA 54 7.872 -2.143 -1.465 194 2HB ALA 54 HB2 ALA 54 8.363 -3.534 -2.434 195 3HB ALA 54 HB3 ALA 54 9.391 -2.102 -2.357 196 H GLN 55 HN GLN 55 10.905 -1.601 0.435 197 HA GLN 55 HA GLN 55 9.346 -1.250 2.860 198 1HB GLN 55 HB2 GLN 55 11.944 -1.490 2.594 199 2HB GLN 55 HB1 GLN 55 11.867 0.232 2.261 200 1HG GLN 55 HG2 GLN 55 11.527 0.747 4.408 201 2HG GLN 55 HG1 GLN 55 10.369 -0.563 4.635 202 1HE2 GLN 55 HE21 GLN 55 11.694 -0.400 6.739 203 2HE2 GLN 55 HE22 GLN 55 13.037 -1.480 6.852 204 H ASN 56 HN ASN 56 10.718 1.492 2.772 205 HA ASN 56 HA ASN 56 8.447 3.065 2.234 206 1HB ASN 56 HB2 ASN 56 11.366 3.876 2.353 207 2HB ASN 56 HB1 ASN 56 10.011 5.001 2.342 208 1HD2 ASN 56 HD21 ASN 56 12.064 3.138 4.237 209 2HD2 ASN 56 HD22 ASN 56 11.247 3.316 5.749 210 H TYR 57 HN TYR 57 7.942 2.007 0.158 211 HA TYR 57 HA TYR 57 9.542 2.921 -2.107 212 1HB TYR 57 HB2 TYR 57 8.711 0.542 -1.963 213 2HB TYR 57 HB1 TYR 57 7.078 1.169 -2.157 214 HD1 TYR 57 HD1 TYR 57 6.726 2.709 -4.266 215 HD2 TYR 57 HD2 TYR 57 9.881 -0.114 -3.848 216 HE1 TYR 57 HE1 TYR 57 6.990 2.652 -6.710 217 HE2 TYR 57 HE2 TYR 57 10.154 -0.179 -6.291 218 HH TYR 57 HH TYR 57 9.169 2.004 -8.311 219 H GLU 58 HN GLU 58 9.123 4.843 -2.884 220 HA GLU 58 HA GLU 58 6.689 6.230 -2.365 221 1HB GLU 58 HB2 GLU 58 8.648 7.047 -4.493 222 2HB GLU 58 HB1 GLU 58 7.651 8.066 -3.465 223 1HG GLU 58 HG2 GLU 58 9.274 6.683 -1.693 224 2HG GLU 58 HG1 GLU 58 10.331 7.076 -3.048 225 H LEU 59 HN LEU 59 5.077 4.958 -3.156 226 HA LEU 59 HA LEU 59 4.980 4.449 -6.030 227 1HB LEU 59 HB2 LEU 59 4.365 2.586 -4.634 228 2HB LEU 59 HB1 LEU 59 3.224 3.568 -3.739 229 HG LEU 59 HG LEU 59 1.704 3.646 -5.596 230 1HD1 LEU 59 HD11 LEU 59 2.307 3.419 -7.730 231 2HD1 LEU 59 HD12 LEU 59 3.058 1.856 -7.421 232 3HD1 LEU 59 HD13 LEU 59 3.978 3.337 -7.178 233 1HD2 LEU 59 HD21 LEU 59 2.822 0.957 -4.939 234 2HD2 LEU 59 HD22 LEU 59 1.474 1.136 -6.061 235 3HD2 LEU 59 HD23 LEU 59 1.320 1.709 -4.401 236 H THR 60 HN THR 60 3.149 5.145 -7.280 237 HA THR 60 HA THR 60 1.912 7.595 -6.200 238 HB THR 60 HB THR 60 1.663 7.179 -9.096 239 HG1 THR 60 HG1 THR 60 4.270 7.572 -8.049 240 1HG2 THR 60 HG21 THR 60 1.452 9.324 -7.581 241 2HG2 THR 60 HG22 THR 60 2.021 9.415 -9.248 242 3HG2 THR 60 HG23 THR 60 3.179 9.439 -7.919 243 H ILE 61 HN ILE 61 -0.158 7.148 -5.515 244 HA ILE 61 HA ILE 61 -1.562 4.923 -6.709 245 HB ILE 61 HB ILE 61 -3.382 5.676 -5.043 246 1HG1 ILE 61 HG12 ILE 61 -0.986 7.120 -3.881 247 2HG1 ILE 61 HG11 ILE 61 -2.397 7.908 -4.579 248 1HG2 ILE 61 HG21 ILE 61 -1.438 4.796 -3.225 249 2HG2 ILE 61 HG22 ILE 61 -0.982 4.127 -4.794 250 3HG2 ILE 61 HG23 ILE 61 -2.586 3.813 -4.137 251 1HD1 ILE 61 HD11 ILE 61 -3.793 7.097 -2.828 252 2HD1 ILE 61 HD12 ILE 61 -2.361 7.821 -2.095 253 3HD1 ILE 61 HD13 ILE 61 -2.504 6.067 -2.207 254 H GLY 62 HN GLY 62 -2.299 5.359 -8.645 255 1HA GLY 62 HA2 GLY 62 -4.450 6.333 -9.580 256 2HA GLY 62 HA1 GLY 62 -3.772 7.876 -9.067 257 H SER 63 HN SER 63 -1.521 5.550 -10.195 258 HA SER 63 HA SER 63 -1.170 7.101 -12.655 259 1HB SER 63 HB2 SER 63 0.709 6.804 -10.889 260 2HB SER 63 HB1 SER 63 0.862 5.179 -11.556 261 HG SER 63 HG SER 63 1.198 6.160 -13.610 262 H ASN 64 HN ASN 64 -2.022 3.991 -11.443 263 HA ASN 64 HA ASN 64 -2.854 2.159 -12.499 264 1HB ASN 64 HB2 ASN 64 -2.283 3.491 -15.146 265 2HB ASN 64 HB1 ASN 64 -3.433 2.201 -14.812 266 1HD2 ASN 64 HD21 ASN 64 -2.865 5.575 -14.827 267 2HD2 ASN 64 HD22 ASN 64 -4.442 6.071 -14.326 268 H SER 65 HN SER 65 0.051 2.699 -11.960 269 HA SER 65 HA SER 65 1.309 0.976 -13.962 270 1HB SER 65 HB2 SER 65 3.373 1.592 -12.396 271 2HB SER 65 HB1 SER 65 2.788 2.706 -13.631 272 HG SER 65 HG SER 65 2.162 2.738 -10.864 273 H PHE 66 HN PHE 66 0.176 0.936 -10.692 274 HA PHE 66 HA PHE 66 1.593 -1.553 -10.113 275 1HB PHE 66 HB2 PHE 66 0.803 0.605 -8.526 276 2HB PHE 66 HB1 PHE 66 -0.291 -0.697 -8.074 277 HD1 PHE 66 HD1 PHE 66 3.291 0.173 -8.432 278 HD2 PHE 66 HD2 PHE 66 0.419 -2.428 -6.674 279 HE1 PHE 66 HE1 PHE 66 5.047 -0.797 -7.007 280 HE2 PHE 66 HE2 PHE 66 2.169 -3.403 -5.247 281 HZ PHE 66 HZ PHE 66 4.487 -2.587 -5.412 282 H ILE 67 HN ILE 67 0.377 -3.402 -9.246 283 HA ILE 67 HA ILE 67 -1.647 -4.245 -10.966 284 HB ILE 67 HB ILE 67 -2.019 -6.110 -9.429 285 1HG1 ILE 67 HG12 ILE 67 -0.127 -4.666 -7.555 286 2HG1 ILE 67 HG11 ILE 67 -1.866 -4.809 -7.316 287 1HG2 ILE 67 HG21 ILE 67 0.788 -5.279 -10.046 288 2HG2 ILE 67 HG22 ILE 67 -0.214 -6.498 -10.833 289 3HG2 ILE 67 HG23 ILE 67 0.457 -6.808 -9.232 290 1HD1 ILE 67 HD11 ILE 67 -0.016 -6.482 -6.269 291 2HD1 ILE 67 HD12 ILE 67 -0.479 -7.356 -7.729 292 3HD1 ILE 67 HD13 ILE 67 -1.706 -6.903 -6.545 293 H LYS 68 HN LYS 68 -3.895 -4.726 -10.533 294 HA LYS 68 HA LYS 68 -5.203 -2.537 -9.196 295 1HB LYS 68 HB2 LYS 68 -6.169 -4.889 -10.805 296 2HB LYS 68 HB1 LYS 68 -7.294 -3.839 -9.954 297 1HG LYS 68 HG2 LYS 68 -5.306 -2.908 -12.013 298 2HG LYS 68 HG1 LYS 68 -7.006 -3.253 -12.333 299 1HD LYS 68 HD2 LYS 68 -7.664 -1.286 -11.496 300 2HD LYS 68 HD1 LYS 68 -6.637 -1.459 -10.071 301 1HE LYS 68 HE2 LYS 68 -4.803 -0.981 -12.037 302 2HE LYS 68 HE1 LYS 68 -6.169 -0.004 -12.571 303 1HZ LYS 68 HZ1 LYS 68 -4.369 0.878 -10.859 304 2HZ LYS 68 HZ2 LYS 68 -5.443 0.180 -9.755 305 3HZ LYS 68 HZ3 LYS 68 -5.983 1.383 -10.814 306 H GLY 69 HN GLY 69 -5.614 -2.530 -7.091 307 1HA GLY 69 HA2 GLY 69 -7.054 -3.662 -5.392 308 2HA GLY 69 HA1 GLY 69 -6.142 -5.118 -5.767 309 H PHE 70 HN PHE 70 -3.636 -3.555 -6.032 310 HA PHE 70 HA PHE 70 -2.853 -3.684 -3.268 311 1HB PHE 70 HB2 PHE 70 -1.387 -4.460 -5.116 312 2HB PHE 70 HB1 PHE 70 -1.256 -2.799 -5.682 313 HD1 PHE 70 HD1 PHE 70 -0.394 -1.080 -3.899 314 HD2 PHE 70 HD2 PHE 70 0.208 -5.287 -3.693 315 HE1 PHE 70 HE1 PHE 70 1.520 -0.727 -2.399 316 HE2 PHE 70 HE2 PHE 70 2.124 -4.941 -2.194 317 HZ PHE 70 HZ PHE 70 2.779 -2.658 -1.542 318 H GLU 71 HN GLU 71 -2.209 -1.113 -5.650 319 HA GLU 71 HA GLU 71 -1.636 0.952 -3.968 320 1HB GLU 71 HB2 GLU 71 -2.973 0.853 -6.647 321 2HB GLU 71 HB1 GLU 71 -2.827 2.392 -5.810 322 1HG GLU 71 HG2 GLU 71 -0.401 2.098 -5.700 323 2HG GLU 71 HG1 GLU 71 -0.555 0.564 -6.555 324 H THR 72 HN THR 72 -4.848 -0.183 -4.925 325 HA THR 72 HA THR 72 -6.354 1.871 -3.736 326 HB THR 72 HB THR 72 -8.114 -0.121 -3.675 327 HG1 THR 72 HG1 THR 72 -7.532 -1.638 -5.310 328 1HG2 THR 72 HG21 THR 72 -7.973 1.861 -5.282 329 2HG2 THR 72 HG22 THR 72 -8.808 0.406 -5.827 330 3HG2 THR 72 HG23 THR 72 -7.166 0.739 -6.378 331 H GLY 73 HN GLY 73 -5.377 -1.313 -2.469 332 1HA GLY 73 HA2 GLY 73 -6.780 -1.193 -0.054 333 2HA GLY 73 HA1 GLY 73 -5.307 -2.112 -0.314 334 H LEU 74 HN LEU 74 -3.924 0.493 -1.026 335 HA LEU 74 HA LEU 74 -3.237 1.171 1.730 336 1HB LEU 74 HB2 LEU 74 -1.934 1.774 -0.920 337 2HB LEU 74 HB1 LEU 74 -1.387 2.491 0.585 338 HG LEU 74 HG LEU 74 0.032 0.642 0.139 339 1HD1 LEU 74 HD11 LEU 74 -1.663 0.707 2.423 340 2HD1 LEU 74 HD12 LEU 74 -0.005 0.131 2.296 341 3HD1 LEU 74 HD13 LEU 74 -1.348 -0.975 2.009 342 1HD2 LEU 74 HD21 LEU 74 -1.472 -0.476 -1.473 343 2HD2 LEU 74 HD22 LEU 74 -2.425 -1.084 -0.120 344 3HD2 LEU 74 HD23 LEU 74 -0.748 -1.591 -0.315 345 H ILE 75 HN ILE 75 -4.696 2.620 -1.114 346 HA ILE 75 HA ILE 75 -4.565 5.304 -0.157 347 HB ILE 75 HB ILE 75 -5.813 5.969 -2.019 348 1HG1 ILE 75 HG12 ILE 75 -6.828 3.133 -2.283 349 2HG1 ILE 75 HG11 ILE 75 -7.762 4.505 -1.700 350 1HG2 ILE 75 HG21 ILE 75 -4.337 5.368 -3.543 351 2HG2 ILE 75 HG22 ILE 75 -4.849 3.686 -3.495 352 3HG2 ILE 75 HG23 ILE 75 -3.662 4.279 -2.332 353 1HD1 ILE 75 HD11 ILE 75 -8.375 4.088 -3.957 354 2HD1 ILE 75 HD12 ILE 75 -6.688 4.072 -4.472 355 3HD1 ILE 75 HD13 ILE 75 -7.428 5.575 -3.922 356 H ALA 76 HN ALA 76 -6.775 2.725 0.390 357 HA ALA 76 HA ALA 76 -8.992 4.380 1.124 358 1HB ALA 76 HB1 ALA 76 -10.154 2.379 1.609 359 2HB ALA 76 HB2 ALA 76 -8.656 1.464 1.785 360 3HB ALA 76 HB3 ALA 76 -9.153 2.045 0.196 361 H MET 77 HN MET 77 -6.213 3.184 2.814 362 HA MET 77 HA MET 77 -7.517 3.862 5.371 363 1HB MET 77 HB2 MET 77 -4.972 2.281 4.971 364 2HB MET 77 HB1 MET 77 -5.808 2.546 6.492 365 1HG MET 77 HG2 MET 77 -7.563 1.382 4.522 366 2HG MET 77 HG1 MET 77 -6.113 0.406 4.748 367 1HE MET 77 HE1 MET 77 -6.758 -1.725 6.134 368 2HE MET 77 HE2 MET 77 -8.243 -1.261 5.302 369 3HE MET 77 HE3 MET 77 -8.294 -1.729 7.002 370 H LYS 78 HN LYS 78 -5.706 4.617 7.043 371 HA LYS 78 HA LYS 78 -4.841 7.162 6.028 372 1HB LYS 78 HB2 LYS 78 -4.303 5.971 8.751 373 2HB LYS 78 HB1 LYS 78 -4.243 7.670 8.306 374 1HG LYS 78 HG2 LYS 78 -6.380 7.911 8.801 375 2HG LYS 78 HG1 LYS 78 -6.820 6.647 7.653 376 1HD LYS 78 HD2 LYS 78 -5.687 5.552 10.090 377 2HD LYS 78 HD1 LYS 78 -7.100 6.557 10.415 378 1HE LYS 78 HE2 LYS 78 -7.351 4.690 8.149 379 2HE LYS 78 HE1 LYS 78 -7.221 3.944 9.741 380 1HZ LYS 78 HZ1 LYS 78 -9.531 4.458 8.970 381 2HZ LYS 78 HZ2 LYS 78 -9.159 6.100 9.128 382 3HZ LYS 78 HZ3 LYS 78 -9.127 5.092 10.486 383 H VAL 79 HN VAL 79 -2.469 7.603 7.525 384 HA VAL 79 HA VAL 79 -0.594 5.992 5.950 385 HB VAL 79 HB VAL 79 -0.382 8.736 7.210 386 1HG1 VAL 79 HG11 VAL 79 1.892 8.827 6.186 387 2HG1 VAL 79 HG12 VAL 79 1.771 7.092 5.910 388 3HG1 VAL 79 HG13 VAL 79 1.751 7.722 7.554 389 1HG2 VAL 79 HG21 VAL 79 0.101 9.372 4.821 390 2HG2 VAL 79 HG22 VAL 79 -1.544 8.828 5.151 391 3HG2 VAL 79 HG23 VAL 79 -0.396 7.740 4.373 392 H ASN 80 HN ASN 80 1.492 5.495 7.039 393 HA ASN 80 HA ASN 80 2.712 4.559 8.712 394 1HB ASN 80 HB2 ASN 80 1.649 6.872 9.829 395 2HB ASN 80 HB1 ASN 80 1.245 5.619 10.998 396 1HD2 ASN 80 HD21 ASN 80 3.092 4.134 11.546 397 2HD2 ASN 80 HD22 ASN 80 4.640 4.868 11.769 398 H GLN 81 HN GLN 81 -0.008 3.525 7.773 399 HA GLN 81 HA GLN 81 -0.702 1.874 10.104 400 1HB GLN 81 HB2 GLN 81 -2.167 2.813 7.706 401 2HB GLN 81 HB1 GLN 81 -2.568 1.200 8.279 402 1HG GLN 81 HG2 GLN 81 -2.582 3.635 10.040 403 2HG GLN 81 HG1 GLN 81 -3.999 3.047 9.170 404 1HE2 GLN 81 HE21 GLN 81 -2.857 3.173 12.103 405 2HE2 GLN 81 HE22 GLN 81 -3.350 1.646 12.743 406 H LYS 82 HN LYS 82 -0.048 -0.160 10.234 407 HA LYS 82 HA LYS 82 1.269 -1.390 7.953 408 1HB LYS 82 HB2 LYS 82 2.332 -1.464 10.183 409 2HB LYS 82 HB1 LYS 82 0.963 -2.384 10.792 410 1HG LYS 82 HG2 LYS 82 1.640 -4.306 9.812 411 2HG LYS 82 HG1 LYS 82 2.346 -3.479 8.422 412 1HD LYS 82 HD2 LYS 82 4.297 -4.046 9.401 413 2HD LYS 82 HD1 LYS 82 3.985 -2.621 10.393 414 1HE LYS 82 HE2 LYS 82 3.073 -5.394 11.132 415 2HE LYS 82 HE1 LYS 82 4.609 -4.706 11.656 416 1HZ LYS 82 HZ1 LYS 82 2.920 -2.773 12.367 417 2HZ LYS 82 HZ2 LYS 82 3.381 -4.034 13.396 418 3HZ LYS 82 HZ3 LYS 82 1.915 -4.121 12.557 419 H LYS 83 HN LYS 83 -0.410 -1.908 6.577 420 HA LYS 83 HA LYS 83 -2.505 -3.675 7.585 421 1HB LYS 83 HB2 LYS 83 -2.698 -1.579 5.919 422 2HB LYS 83 HB1 LYS 83 -2.461 -2.858 4.736 423 1HG LYS 83 HG2 LYS 83 -4.503 -3.239 6.866 424 2HG LYS 83 HG1 LYS 83 -4.861 -2.160 5.517 425 1HD LYS 83 HD2 LYS 83 -5.449 -3.957 4.341 426 2HD LYS 83 HD1 LYS 83 -3.753 -4.441 4.350 427 1HE LYS 83 HE2 LYS 83 -4.992 -6.290 5.165 428 2HE LYS 83 HE1 LYS 83 -4.197 -5.559 6.559 429 1HZ LYS 83 HZ1 LYS 83 -6.513 -4.261 6.584 430 2HZ LYS 83 HZ2 LYS 83 -6.256 -5.708 7.421 431 3HZ LYS 83 HZ3 LYS 83 -7.024 -5.729 5.914 432 H THR 84 HN THR 84 -1.752 -5.725 7.719 433 HA THR 84 HA THR 84 -0.069 -6.830 5.633 434 HB THR 84 HB THR 84 -1.258 -8.283 7.992 435 HG1 THR 84 HG1 THR 84 1.244 -6.964 7.895 436 1HG2 THR 84 HG21 THR 84 1.389 -9.074 7.384 437 2HG2 THR 84 HG22 THR 84 0.441 -9.124 5.897 438 3HG2 THR 84 HG23 THR 84 -0.094 -10.026 7.315 439 H LEU 85 HN LEU 85 -1.714 -6.527 3.960 440 HA LEU 85 HA LEU 85 -4.023 -8.294 4.068 441 1HB LEU 85 HB2 LEU 85 -4.223 -5.985 3.217 442 2HB LEU 85 HB1 LEU 85 -3.118 -6.383 1.916 443 HG LEU 85 HG LEU 85 -5.582 -8.030 2.194 444 1HD1 LEU 85 HD11 LEU 85 -6.562 -5.887 2.442 445 2HD1 LEU 85 HD12 LEU 85 -6.763 -6.336 0.749 446 3HD1 LEU 85 HD13 LEU 85 -5.509 -5.186 1.213 447 1HD2 LEU 85 HD21 LEU 85 -5.414 -7.863 -0.311 448 2HD2 LEU 85 HD22 LEU 85 -4.064 -8.670 0.485 449 3HD2 LEU 85 HD23 LEU 85 -3.890 -7.008 -0.076 450 H ALA 86 HN ALA 86 -4.206 -10.190 3.017 451 HA ALA 86 HA ALA 86 -1.875 -11.245 1.641 452 1HB ALA 86 HB1 ALA 86 -3.693 -13.233 1.464 453 2HB ALA 86 HB2 ALA 86 -4.306 -12.369 2.874 454 3HB ALA 86 HB3 ALA 86 -2.651 -12.979 2.865 455 H LEU 87 HN LEU 87 -1.929 -9.895 -0.217 456 HA LEU 87 HA LEU 87 -4.235 -10.021 -1.962 457 1HB LEU 87 HB2 LEU 87 -2.705 -7.988 -1.481 458 2HB LEU 87 HB1 LEU 87 -1.639 -8.720 -2.664 459 HG LEU 87 HG LEU 87 -3.526 -8.655 -4.309 460 1HD1 LEU 87 HD11 LEU 87 -5.409 -7.162 -3.819 461 2HD1 LEU 87 HD12 LEU 87 -4.834 -6.992 -2.161 462 3HD1 LEU 87 HD13 LEU 87 -5.382 -8.562 -2.748 463 1HD2 LEU 87 HD21 LEU 87 -1.889 -6.986 -4.542 464 2HD2 LEU 87 HD22 LEU 87 -2.437 -6.130 -3.101 465 3HD2 LEU 87 HD23 LEU 87 -3.429 -6.127 -4.559 466 H THR 88 HN THR 88 -4.083 -10.546 -4.212 467 HA THR 88 HA THR 88 -2.394 -12.886 -4.677 468 HB THR 88 HB THR 88 -4.328 -11.981 -6.737 469 HG1 THR 88 HG1 THR 88 -6.082 -12.766 -5.525 470 1HG2 THR 88 HG21 THR 88 -4.619 -14.655 -5.649 471 2HG2 THR 88 HG22 THR 88 -2.992 -14.324 -6.242 472 3HG2 THR 88 HG23 THR 88 -4.378 -14.123 -7.313 473 H PHE 89 HN PHE 89 -1.642 -13.051 -7.076 474 HA PHE 89 HA PHE 89 -0.530 -10.443 -7.868 475 1HB PHE 89 HB2 PHE 89 0.833 -12.889 -7.180 476 2HB PHE 89 HB1 PHE 89 1.203 -12.431 -8.832 477 HD1 PHE 89 HD1 PHE 89 2.406 -12.218 -5.669 478 HD2 PHE 89 HD2 PHE 89 1.505 -9.685 -8.967 479 HE1 PHE 89 HE1 PHE 89 4.033 -10.568 -4.841 480 HE2 PHE 89 HE2 PHE 89 3.130 -8.034 -8.147 481 HZ PHE 89 HZ PHE 89 4.399 -8.472 -6.083 482 HA PRO 90 HA PRO 90 -2.702 -11.584 -11.627 483 1HB PRO 90 HB2 PRO 90 -2.649 -9.191 -12.795 484 2HB PRO 90 HB1 PRO 90 -3.642 -9.472 -11.357 485 1HG PRO 90 HG2 PRO 90 -0.923 -8.209 -11.559 486 2HG PRO 90 HG1 PRO 90 -2.352 -7.643 -10.667 487 1HD PRO 90 HD2 PRO 90 -0.311 -9.026 -9.499 488 2HD PRO 90 HD1 PRO 90 -1.987 -9.090 -8.918 489 H SER 91 HN SER 91 -2.258 -11.611 -13.922 490 HA SER 91 HA SER 91 0.360 -12.374 -14.566 491 1HB SER 91 HB2 SER 91 -2.127 -11.830 -16.120 492 2HB SER 91 HB1 SER 91 -0.606 -11.937 -17.005 493 HG SER 91 HG SER 91 -0.442 -14.015 -16.515 494 H ASP 92 HN ASP 92 -1.290 -9.324 -14.711 495 HA ASP 92 HA ASP 92 0.133 -7.822 -16.469 496 1HB ASP 92 HB2 ASP 92 -1.409 -7.294 -14.062 497 2HB ASP 92 HB1 ASP 92 -0.128 -6.108 -14.291 498 H TYR 93 HN TYR 93 1.247 -8.908 -13.302 499 HA TYR 93 HA TYR 93 3.418 -7.220 -12.976 500 1HB TYR 93 HB2 TYR 93 2.437 -9.411 -11.618 501 2HB TYR 93 HB1 TYR 93 4.035 -9.941 -12.143 502 HD1 TYR 93 HD1 TYR 93 2.805 -6.579 -11.090 503 HD2 TYR 93 HD2 TYR 93 5.429 -9.825 -10.279 504 HE1 TYR 93 HE1 TYR 93 3.835 -5.284 -9.271 505 HE2 TYR 93 HE2 TYR 93 6.463 -8.544 -8.455 506 HH TYR 93 HH TYR 93 6.155 -5.298 -8.085 507 H HIS 94 HN HIS 94 5.478 -7.143 -13.668 508 HA HIS 94 HA HIS 94 6.101 -8.060 -16.220 509 1HB HIS 94 HB2 HIS 94 7.138 -6.117 -14.995 510 2HB HIS 94 HB1 HIS 94 8.113 -7.284 -14.109 511 HD1 HIS 94 HD1 HIS 94 7.726 -5.711 -17.475 512 HD2 HIS 94 HD2 HIS 94 10.204 -8.446 -15.566 513 HE1 HIS 94 HE1 HIS 94 9.687 -6.032 -19.017 514 HE2 HIS 94 HE2 HIS 94 11.216 -7.621 -17.799 515 H VAL 95 HN VAL 95 6.347 -9.728 -13.211 516 HA VAL 95 HA VAL 95 8.235 -11.652 -14.344 517 HB VAL 95 HB VAL 95 8.634 -10.775 -12.057 518 1HG1 VAL 95 HG11 VAL 95 6.712 -12.556 -10.809 519 2HG1 VAL 95 HG12 VAL 95 5.955 -11.241 -11.716 520 3HG1 VAL 95 HG13 VAL 95 7.117 -10.878 -10.442 521 1HG2 VAL 95 HG21 VAL 95 9.746 -12.775 -12.594 522 2HG2 VAL 95 HG22 VAL 95 8.259 -13.720 -12.519 523 3HG2 VAL 95 HG23 VAL 95 8.976 -13.086 -11.038 524 H LYS 96 HN LYS 96 7.655 -13.512 -15.073 525 HA LYS 96 HA LYS 96 5.070 -14.307 -15.640 526 1HB LYS 96 HB2 LYS 96 7.077 -15.239 -16.723 527 2HB LYS 96 HB1 LYS 96 7.453 -16.123 -15.251 528 1HG LYS 96 HG2 LYS 96 4.782 -16.739 -15.989 529 2HG LYS 96 HG1 LYS 96 5.805 -16.908 -17.416 530 1HD LYS 96 HD2 LYS 96 7.315 -18.094 -15.456 531 2HD LYS 96 HD1 LYS 96 5.671 -18.537 -14.992 532 1HE LYS 96 HE2 LYS 96 6.283 -18.807 -17.856 533 2HE LYS 96 HE1 LYS 96 7.178 -19.892 -16.793 534 1HZ LYS 96 HZ1 LYS 96 4.284 -19.632 -16.408 535 2HZ LYS 96 HZ2 LYS 96 5.290 -20.967 -16.145 536 3HZ LYS 96 HZ3 LYS 96 4.840 -20.545 -17.720 537 H GLU 97 HN GLU 97 7.073 -15.321 -12.897 538 HA GLU 97 HA GLU 97 5.308 -17.192 -11.840 539 1HB GLU 97 HB2 GLU 97 6.531 -16.645 -9.629 540 2HB GLU 97 HB1 GLU 97 7.435 -17.344 -10.964 541 1HG GLU 97 HG2 GLU 97 8.615 -15.437 -11.350 542 2HG GLU 97 HG1 GLU 97 7.333 -14.389 -10.749 543 H LEU 98 HN LEU 98 5.546 -13.732 -11.079 544 HA LEU 98 HA LEU 98 3.419 -13.956 -9.153 545 1HB LEU 98 HB2 LEU 98 5.035 -11.670 -10.179 546 2HB LEU 98 HB1 LEU 98 3.594 -11.379 -9.245 547 HG LEU 98 HG LEU 98 4.630 -11.800 -7.328 548 1HD1 LEU 98 HD11 LEU 98 6.101 -13.769 -6.937 549 2HD1 LEU 98 HD12 LEU 98 5.852 -14.216 -8.625 550 3HD1 LEU 98 HD13 LEU 98 4.481 -14.163 -7.514 551 1HD2 LEU 98 HD21 LEU 98 7.205 -12.064 -8.841 552 2HD2 LEU 98 HD22 LEU 98 6.940 -11.379 -7.236 553 3HD2 LEU 98 HD23 LEU 98 6.359 -10.526 -8.667 554 H GLN 99 HN GLN 99 2.877 -14.728 -11.874 555 HA GLN 99 HA GLN 99 1.018 -12.739 -12.844 556 1HB GLN 99 HB2 GLN 99 1.796 -15.501 -13.791 557 2HB GLN 99 HB1 GLN 99 0.471 -14.601 -14.516 558 1HG GLN 99 HG2 GLN 99 2.064 -12.785 -15.061 559 2HG GLN 99 HG1 GLN 99 3.368 -13.789 -14.437 560 1HE2 GLN 99 HE21 GLN 99 1.951 -12.800 -17.175 561 2HE2 GLN 99 HE22 GLN 99 2.304 -14.137 -18.211 562 H SER 100 HN SER 100 1.130 -15.770 -11.107 563 HA SER 100 HA SER 100 -1.664 -15.388 -10.284 564 1HB SER 100 HB2 SER 100 -0.547 -17.750 -11.729 565 2HB SER 100 HB1 SER 100 -1.737 -18.041 -10.460 566 HG SER 100 HG SER 100 -2.145 -17.202 -12.957 567 H LYS 101 HN LYS 101 0.120 -14.607 -8.552 568 HA LYS 101 HA LYS 101 0.616 -16.915 -6.784 569 1HB LYS 101 HB2 LYS 101 2.591 -15.607 -7.866 570 2HB LYS 101 HB1 LYS 101 2.251 -14.422 -6.612 571 1HG LYS 101 HG2 LYS 101 3.720 -15.638 -5.432 572 2HG LYS 101 HG1 LYS 101 2.321 -16.671 -5.133 573 1HD LYS 101 HD2 LYS 101 3.784 -17.221 -7.627 574 2HD LYS 101 HD1 LYS 101 4.677 -17.548 -6.140 575 1HE LYS 101 HE2 LYS 101 2.242 -18.634 -5.575 576 2HE LYS 101 HE1 LYS 101 2.374 -18.938 -7.307 577 1HZ LYS 101 HZ1 LYS 101 4.797 -19.672 -6.472 578 2HZ LYS 101 HZ2 LYS 101 3.494 -20.740 -6.615 579 3HZ LYS 101 HZ3 LYS 101 3.881 -20.077 -5.108 580 HA PRO 102 HA PRO 102 -2.110 -14.497 -4.046 581 1HB PRO 102 HB2 PRO 102 -2.573 -16.518 -2.308 582 2HB PRO 102 HB1 PRO 102 -3.428 -16.394 -3.851 583 1HG PRO 102 HG2 PRO 102 -1.061 -18.081 -3.129 584 2HG PRO 102 HG1 PRO 102 -2.506 -18.523 -4.056 585 1HD PRO 102 HD2 PRO 102 -0.149 -17.899 -5.239 586 2HD PRO 102 HD1 PRO 102 -1.718 -17.545 -5.989 587 H VAL 103 HN VAL 103 -0.351 -13.185 -3.359 588 HA VAL 103 HA VAL 103 1.449 -14.300 -1.343 589 HB VAL 103 HB VAL 103 2.337 -13.046 -3.308 590 1HG1 VAL 103 HG11 VAL 103 1.974 -10.806 -3.659 591 2HG1 VAL 103 HG12 VAL 103 1.539 -10.500 -1.978 592 3HG1 VAL 103 HG13 VAL 103 0.397 -11.306 -3.050 593 1HG2 VAL 103 HG21 VAL 103 4.112 -12.154 -2.134 594 2HG2 VAL 103 HG22 VAL 103 3.418 -13.269 -0.956 595 3HG2 VAL 103 HG23 VAL 103 3.083 -11.541 -0.838 596 H THR 104 HN THR 104 2.072 -12.981 0.489 597 HA THR 104 HA THR 104 -0.209 -11.591 1.691 598 HB THR 104 HB THR 104 2.167 -12.604 3.197 599 HG1 THR 104 HG1 THR 104 1.187 -14.340 2.011 600 1HG2 THR 104 HG21 THR 104 0.803 -11.198 4.524 601 2HG2 THR 104 HG22 THR 104 0.482 -12.862 5.013 602 3HG2 THR 104 HG23 THR 104 -0.664 -12.011 3.979 603 H PHE 105 HN PHE 105 -0.034 -9.483 1.297 604 HA PHE 105 HA PHE 105 2.611 -8.259 1.240 605 1HB PHE 105 HB2 PHE 105 -0.127 -7.272 0.455 606 2HB PHE 105 HB1 PHE 105 1.276 -6.216 0.514 607 HD1 PHE 105 HD1 PHE 105 3.272 -8.309 -0.546 608 HD2 PHE 105 HD2 PHE 105 -0.583 -7.047 -1.835 609 HE1 PHE 105 HE1 PHE 105 3.839 -8.940 -2.856 610 HE2 PHE 105 HE2 PHE 105 -0.023 -7.678 -4.144 611 HZ PHE 105 HZ PHE 105 2.187 -8.624 -4.654 612 H GLU 106 HN GLU 106 3.429 -7.377 2.981 613 HA GLU 106 HA GLU 106 1.656 -6.375 5.100 614 1HB GLU 106 HB2 GLU 106 3.278 -7.701 6.147 615 2HB GLU 106 HB1 GLU 106 4.529 -7.249 5.000 616 1HG GLU 106 HG2 GLU 106 5.022 -5.290 6.098 617 2HG GLU 106 HG1 GLU 106 3.433 -5.189 6.854 618 H VAL 107 HN VAL 107 0.993 -4.563 3.851 619 HA VAL 107 HA VAL 107 3.035 -2.716 2.942 620 HB VAL 107 HB VAL 107 0.263 -1.784 2.725 621 1HG1 VAL 107 HG11 VAL 107 1.728 -2.214 0.272 622 2HG1 VAL 107 HG12 VAL 107 2.718 -1.387 1.477 623 3HG1 VAL 107 HG13 VAL 107 1.162 -0.712 0.999 624 1HG2 VAL 107 HG21 VAL 107 1.087 -4.401 1.478 625 2HG2 VAL 107 HG22 VAL 107 -0.193 -3.387 0.812 626 3HG2 VAL 107 HG23 VAL 107 -0.351 -4.052 2.438 627 H VAL 108 HN VAL 108 3.930 -1.477 4.454 628 HA VAL 108 HA VAL 108 2.407 -0.469 6.681 629 HB VAL 108 HB VAL 108 5.218 -0.663 5.840 630 1HG1 VAL 108 HG11 VAL 108 5.483 1.627 5.983 631 2HG1 VAL 108 HG12 VAL 108 5.764 1.161 7.660 632 3HG1 VAL 108 HG13 VAL 108 4.198 1.812 7.177 633 1HG2 VAL 108 HG21 VAL 108 4.140 -2.038 7.592 634 2HG2 VAL 108 HG22 VAL 108 3.976 -0.589 8.584 635 3HG2 VAL 108 HG23 VAL 108 5.579 -1.187 8.153 636 H LEU 109 HN LEU 109 0.861 0.723 5.636 637 HA LEU 109 HA LEU 109 0.998 2.415 3.551 638 1HB LEU 109 HB2 LEU 109 -0.908 1.671 5.253 639 2HB LEU 109 HB1 LEU 109 -0.708 3.342 5.749 640 HG LEU 109 HG LEU 109 -1.257 2.457 2.919 641 1HD1 LEU 109 HD11 LEU 109 -3.424 3.898 3.818 642 2HD1 LEU 109 HD12 LEU 109 -3.018 2.867 5.189 643 3HD1 LEU 109 HD13 LEU 109 -3.347 2.148 3.612 644 1HD2 LEU 109 HD21 LEU 109 -1.806 4.888 2.645 645 2HD2 LEU 109 HD22 LEU 109 -0.099 4.528 2.905 646 3HD2 LEU 109 HD23 LEU 109 -1.078 5.159 4.228 647 H LYS 110 HN LYS 110 3.151 3.531 3.748 648 HA LYS 110 HA LYS 110 2.939 5.941 5.427 649 1HB LYS 110 HB2 LYS 110 5.159 4.248 4.695 650 2HB LYS 110 HB1 LYS 110 5.436 5.877 4.096 651 1HG LYS 110 HG2 LYS 110 4.473 5.798 6.848 652 2HG LYS 110 HG1 LYS 110 6.018 4.978 6.610 653 1HD LYS 110 HD2 LYS 110 7.013 6.968 6.661 654 2HD LYS 110 HD1 LYS 110 6.191 7.367 5.151 655 1HE LYS 110 HE2 LYS 110 4.232 8.113 6.541 656 2HE LYS 110 HE1 LYS 110 5.261 7.927 7.960 657 1HZ LYS 110 HZ1 LYS 110 5.259 9.994 5.940 658 2HZ LYS 110 HZ2 LYS 110 6.798 9.434 6.363 659 3HZ LYS 110 HZ3 LYS 110 5.768 10.055 7.552 660 H ALA 111 HN ALA 111 2.473 7.874 4.292 661 HA ALA 111 HA ALA 111 2.744 7.687 1.372 662 1HB ALA 111 HB1 ALA 111 0.460 7.171 2.029 663 2HB ALA 111 HB2 ALA 111 0.573 8.620 1.029 664 3HB ALA 111 HB3 ALA 111 0.325 8.766 2.769 665 H ILE 112 HN ILE 112 3.573 9.256 0.361 666 HA ILE 112 HA ILE 112 3.866 11.909 1.617 667 HB ILE 112 HB ILE 112 5.569 10.487 -0.425 668 1HG1 ILE 112 HG12 ILE 112 5.882 9.919 1.981 669 2HG1 ILE 112 HG11 ILE 112 7.304 10.657 1.253 670 1HG2 ILE 112 HG21 ILE 112 5.717 13.351 0.505 671 2HG2 ILE 112 HG22 ILE 112 5.419 12.778 -1.136 672 3HG2 ILE 112 HG23 ILE 112 6.994 12.523 -0.385 673 1HD1 ILE 112 HD11 ILE 112 5.917 12.806 2.275 674 2HD1 ILE 112 HD12 ILE 112 7.311 12.014 3.009 675 3HD1 ILE 112 HD13 ILE 112 5.679 11.541 3.481 676 H LYS 113 HN LYS 113 2.822 13.646 0.492 677 HA LYS 113 HA LYS 113 1.605 12.920 -2.065 678 1HB LYS 113 HB2 LYS 113 0.116 14.811 -1.706 679 2HB LYS 113 HB1 LYS 113 0.116 13.764 -0.293 680 1HG LYS 113 HG2 LYS 113 1.951 15.429 0.557 681 2HG LYS 113 HG1 LYS 113 1.208 16.513 -0.620 682 1HD LYS 113 HD2 LYS 113 -0.046 17.001 1.237 683 2HD LYS 113 HD1 LYS 113 -1.015 15.705 0.534 684 1HE LYS 113 HE2 LYS 113 -0.898 14.930 2.667 685 2HE LYS 113 HE1 LYS 113 0.587 14.215 2.040 686 1HZ LYS 113 HZ1 LYS 113 1.809 15.439 3.413 687 2HZ LYS 113 HZ2 LYS 113 0.378 15.845 4.218 688 3HZ LYS 113 HZ3 LYS 113 0.995 16.869 3.021 Start of MODEL 8 1 H LYS 29 HN LYS 29 -6.811 11.871 3.019 2 HA LYS 29 HA LYS 29 -6.924 10.125 1.567 3 1HB LYS 29 HB2 LYS 29 -9.254 10.899 1.271 4 2HB LYS 29 HB1 LYS 29 -8.724 11.954 -0.032 5 1HG LYS 29 HG2 LYS 29 -8.094 10.065 -1.377 6 2HG LYS 29 HG1 LYS 29 -8.442 8.957 -0.048 7 1HD LYS 29 HD2 LYS 29 -10.816 10.096 -0.172 8 2HD LYS 29 HD1 LYS 29 -10.311 10.449 -1.826 9 1HE LYS 29 HE2 LYS 29 -11.209 8.416 -2.229 10 2HE LYS 29 HE1 LYS 29 -9.627 7.857 -1.686 11 1HZ LYS 29 HZ1 LYS 29 -10.463 7.077 0.246 12 2HZ LYS 29 HZ2 LYS 29 -11.886 6.963 -0.660 13 3HZ LYS 29 HZ3 LYS 29 -11.645 8.281 0.372 14 H LEU 30 HN LEU 30 -4.991 9.772 0.660 15 HA LEU 30 HA LEU 30 -3.886 11.637 -1.269 16 1HB LEU 30 HB2 LEU 30 -2.482 10.543 0.473 17 2HB LEU 30 HB1 LEU 30 -2.786 8.998 -0.297 18 HG LEU 30 HG LEU 30 -1.808 10.467 -2.388 19 1HD1 LEU 30 HD11 LEU 30 0.383 11.332 -1.189 20 2HD1 LEU 30 HD12 LEU 30 -0.739 11.574 0.150 21 3HD1 LEU 30 HD13 LEU 30 -1.031 12.365 -1.399 22 1HD2 LEU 30 HD21 LEU 30 -1.091 8.254 -1.990 23 2HD2 LEU 30 HD22 LEU 30 -0.434 8.669 -0.408 24 3HD2 LEU 30 HD23 LEU 30 0.355 9.257 -1.872 25 H ALA 31 HN ALA 31 -5.452 11.383 -2.945 26 HA ALA 31 HA ALA 31 -5.838 8.793 -4.130 27 1HB ALA 31 HB1 ALA 31 -6.893 10.541 -5.931 28 2HB ALA 31 HB2 ALA 31 -6.995 11.460 -4.430 29 3HB ALA 31 HB3 ALA 31 -7.749 9.868 -4.542 30 H ASN 32 HN ASN 32 -5.865 9.226 -6.801 31 HA ASN 32 HA ASN 32 -3.350 8.585 -7.648 32 1HB ASN 32 HB2 ASN 32 -4.104 9.169 -9.928 33 2HB ASN 32 HB1 ASN 32 -5.311 8.252 -9.034 34 1HD2 ASN 32 HD21 ASN 32 -7.296 9.038 -8.924 35 2HD2 ASN 32 HD22 ASN 32 -7.769 10.641 -9.358 36 H GLY 33 HN GLY 33 -2.329 9.957 -9.596 37 1HA GLY 33 HA2 GLY 33 -0.892 11.643 -10.131 38 2HA GLY 33 HA1 GLY 33 -2.101 12.721 -9.476 39 H ASP 34 HN ASP 34 -0.947 10.515 -7.152 40 HA ASP 34 HA ASP 34 0.973 12.516 -6.150 41 1HB ASP 34 HB2 ASP 34 -1.085 10.864 -4.720 42 2HB ASP 34 HB1 ASP 34 0.334 11.461 -3.865 43 H ILE 35 HN ILE 35 2.638 11.573 -4.640 44 HA ILE 35 HA ILE 35 3.521 8.953 -5.661 45 HB ILE 35 HB ILE 35 5.103 11.163 -4.381 46 1HG1 ILE 35 HG12 ILE 35 4.963 10.149 -7.210 47 2HG1 ILE 35 HG11 ILE 35 4.470 11.735 -6.625 48 1HG2 ILE 35 HG21 ILE 35 5.713 8.518 -4.245 49 2HG2 ILE 35 HG22 ILE 35 6.874 9.840 -4.158 50 3HG2 ILE 35 HG23 ILE 35 6.576 9.029 -5.695 51 1HD1 ILE 35 HD11 ILE 35 6.960 10.970 -7.660 52 2HD1 ILE 35 HD12 ILE 35 7.205 11.282 -5.941 53 3HD1 ILE 35 HD13 ILE 35 6.501 12.527 -6.972 54 H ALA 36 HN ALA 36 3.230 7.255 -4.195 55 HA ALA 36 HA ALA 36 2.871 7.997 -1.390 56 1HB ALA 36 HB1 ALA 36 0.992 6.861 -1.891 57 2HB ALA 36 HB2 ALA 36 2.006 5.491 -1.441 58 3HB ALA 36 HB3 ALA 36 1.772 5.893 -3.142 59 H ILE 37 HN ILE 37 4.797 7.839 -0.295 60 HA ILE 37 HA ILE 37 6.683 5.742 -0.900 61 HB ILE 37 HB ILE 37 7.881 7.564 -0.169 62 1HG1 ILE 37 HG12 ILE 37 7.570 5.537 1.908 63 2HG1 ILE 37 HG11 ILE 37 9.024 6.263 1.252 64 1HG2 ILE 37 HG21 ILE 37 6.036 8.984 0.408 65 2HG2 ILE 37 HG22 ILE 37 7.254 9.048 1.679 66 3HG2 ILE 37 HG23 ILE 37 5.790 8.100 1.912 67 1HD1 ILE 37 HD11 ILE 37 7.283 7.599 3.300 68 2HD1 ILE 37 HD12 ILE 37 8.897 8.076 2.774 69 3HD1 ILE 37 HD13 ILE 37 8.674 6.589 3.697 70 H ILE 38 HN ILE 38 5.242 4.043 -0.656 71 HA ILE 38 HA ILE 38 4.151 3.505 1.976 72 HB ILE 38 HB ILE 38 3.211 1.474 0.709 73 1HG1 ILE 38 HG12 ILE 38 3.398 3.084 -1.756 74 2HG1 ILE 38 HG11 ILE 38 4.893 2.295 -1.266 75 1HG2 ILE 38 HG21 ILE 38 2.381 4.150 1.048 76 2HG2 ILE 38 HG22 ILE 38 1.378 2.712 0.859 77 3HG2 ILE 38 HG23 ILE 38 1.865 3.640 -0.559 78 1HD1 ILE 38 HD11 ILE 38 4.171 0.457 -2.240 79 2HD1 ILE 38 HD12 ILE 38 2.604 1.194 -2.562 80 3HD1 ILE 38 HD13 ILE 38 2.888 0.359 -1.035 81 H ASP 39 HN ASP 39 5.131 2.226 3.423 82 HA ASP 39 HA ASP 39 7.287 0.442 2.579 83 1HB ASP 39 HB2 ASP 39 6.314 0.737 5.415 84 2HB ASP 39 HB1 ASP 39 7.909 0.274 4.846 85 H PHE 40 HN PHE 40 6.032 -0.942 1.416 86 HA PHE 40 HA PHE 40 3.974 -2.423 2.861 87 1HB PHE 40 HB2 PHE 40 3.151 -3.211 0.766 88 2HB PHE 40 HB1 PHE 40 3.493 -1.501 0.584 89 HD1 PHE 40 HD1 PHE 40 5.041 -0.713 -1.000 90 HD2 PHE 40 HD2 PHE 40 4.693 -4.886 -0.246 91 HE1 PHE 40 HE1 PHE 40 6.374 -1.183 -3.015 92 HE2 PHE 40 HE2 PHE 40 6.035 -5.364 -2.252 93 HZ PHE 40 HZ PHE 40 6.875 -3.512 -3.641 94 H THR 41 HN THR 41 4.441 -4.218 3.865 95 HA THR 41 HA THR 41 6.816 -5.735 3.134 96 HB THR 41 HB THR 41 5.097 -6.597 5.390 97 HG1 THR 41 HG1 THR 41 5.874 -4.906 6.686 98 1HG2 THR 41 HG21 THR 41 7.077 -7.114 6.463 99 2HG2 THR 41 HG22 THR 41 8.018 -5.984 5.489 100 3HG2 THR 41 HG23 THR 41 7.427 -7.485 4.775 101 H GLY 42 HN GLY 42 6.706 -7.505 1.899 102 1HA GLY 42 HA2 GLY 42 4.231 -8.621 1.007 103 2HA GLY 42 HA1 GLY 42 5.848 -9.220 0.661 104 H ILE 43 HN ILE 43 3.313 -9.201 3.133 105 HA ILE 43 HA ILE 43 4.523 -11.496 4.443 106 HB ILE 43 HB ILE 43 1.797 -10.840 5.248 107 1HG1 ILE 43 HG12 ILE 43 3.628 -8.647 4.821 108 2HG1 ILE 43 HG11 ILE 43 1.948 -8.607 5.342 109 1HG2 ILE 43 HG21 ILE 43 2.888 -10.867 7.496 110 2HG2 ILE 43 HG22 ILE 43 4.414 -11.190 6.673 111 3HG2 ILE 43 HG23 ILE 43 3.084 -12.339 6.547 112 1HD1 ILE 43 HD11 ILE 43 3.353 -7.501 6.951 113 2HD1 ILE 43 HD12 ILE 43 4.378 -8.932 7.087 114 3HD1 ILE 43 HD13 ILE 43 2.710 -8.985 7.655 115 H VAL 44 HN VAL 44 4.142 -13.501 3.757 116 HA VAL 44 HA VAL 44 1.835 -14.003 2.048 117 HB VAL 44 HB VAL 44 4.002 -14.804 1.265 118 1HG1 VAL 44 HG11 VAL 44 4.109 -16.962 3.295 119 2HG1 VAL 44 HG12 VAL 44 4.649 -15.357 3.784 120 3HG1 VAL 44 HG13 VAL 44 5.414 -16.164 2.417 121 1HG2 VAL 44 HG21 VAL 44 1.681 -16.527 1.693 122 2HG2 VAL 44 HG22 VAL 44 3.173 -17.409 1.369 123 3HG2 VAL 44 HG23 VAL 44 2.598 -16.199 0.223 124 H ASP 45 HN ASP 45 0.346 -13.777 3.881 125 HA ASP 45 HA ASP 45 -1.052 -14.618 5.468 126 1HB ASP 45 HB2 ASP 45 -0.229 -16.963 3.850 127 2HB ASP 45 HB1 ASP 45 -1.035 -17.300 5.379 128 H ASN 46 HN ASN 46 0.454 -13.785 7.106 129 HA ASN 46 HA ASN 46 1.239 -14.074 9.235 130 1HB ASN 46 HB2 ASN 46 0.960 -16.970 8.540 131 2HB ASN 46 HB1 ASN 46 1.888 -16.491 9.953 132 1HD2 ASN 46 HD21 ASN 46 0.305 -17.639 11.179 133 2HD2 ASN 46 HD22 ASN 46 -1.201 -16.888 11.569 134 H LYS 47 HN LYS 47 2.844 -15.620 6.532 135 HA LYS 47 HA LYS 47 5.383 -15.381 7.900 136 1HB LYS 47 HB2 LYS 47 4.483 -16.608 5.327 137 2HB LYS 47 HB1 LYS 47 6.183 -16.200 5.520 138 1HG LYS 47 HG2 LYS 47 4.886 -17.746 7.691 139 2HG LYS 47 HG1 LYS 47 5.210 -18.575 6.167 140 1HD LYS 47 HD2 LYS 47 7.109 -18.927 7.544 141 2HD LYS 47 HD1 LYS 47 7.578 -17.722 6.343 142 1HE LYS 47 HE2 LYS 47 7.498 -15.976 7.892 143 2HE LYS 47 HE1 LYS 47 6.523 -16.907 9.028 144 1HZ LYS 47 HZ1 LYS 47 9.398 -16.889 8.636 145 2HZ LYS 47 HZ2 LYS 47 8.712 -18.411 8.905 146 3HZ LYS 47 HZ3 LYS 47 8.497 -17.175 10.039 147 H LYS 48 HN LYS 48 6.939 -13.874 7.470 148 HA LYS 48 HA LYS 48 6.244 -11.810 5.477 149 1HB LYS 48 HB2 LYS 48 7.412 -10.187 6.950 150 2HB LYS 48 HB1 LYS 48 5.996 -10.902 7.705 151 1HG LYS 48 HG2 LYS 48 8.286 -12.487 8.331 152 2HG LYS 48 HG1 LYS 48 8.629 -10.794 8.691 153 1HD LYS 48 HD2 LYS 48 6.400 -10.747 9.902 154 2HD LYS 48 HD1 LYS 48 6.392 -12.506 9.752 155 1HE LYS 48 HE2 LYS 48 8.254 -12.753 11.132 156 2HE LYS 48 HE1 LYS 48 8.745 -11.072 10.927 157 1HZ LYS 48 HZ1 LYS 48 6.304 -10.842 12.054 158 2HZ LYS 48 HZ2 LYS 48 7.768 -10.778 12.898 159 3HZ LYS 48 HZ3 LYS 48 6.905 -12.230 12.814 160 H LEU 49 HN LEU 49 7.516 -12.622 3.814 161 HA LEU 49 HA LEU 49 10.331 -13.153 4.318 162 1HB LEU 49 HB2 LEU 49 10.347 -13.675 1.826 163 2HB LEU 49 HB1 LEU 49 9.438 -14.745 2.871 164 HG LEU 49 HG LEU 49 8.429 -14.048 0.601 165 1HD1 LEU 49 HD11 LEU 49 6.546 -14.883 1.420 166 2HD1 LEU 49 HD12 LEU 49 6.320 -13.516 2.511 167 3HD1 LEU 49 HD13 LEU 49 7.334 -14.875 2.998 168 1HD2 LEU 49 HD21 LEU 49 7.017 -12.009 0.750 169 2HD2 LEU 49 HD22 LEU 49 8.748 -11.678 0.708 170 3HD2 LEU 49 HD23 LEU 49 7.868 -11.578 2.231 171 H ALA 50 HN ALA 50 11.710 -12.344 2.222 172 HA ALA 50 HA ALA 50 11.589 -9.434 2.430 173 1HB ALA 50 HB1 ALA 50 13.688 -11.065 2.697 174 2HB ALA 50 HB2 ALA 50 13.832 -9.402 2.127 175 3HB ALA 50 HB3 ALA 50 13.807 -10.731 0.969 176 H SER 51 HN SER 51 10.658 -11.857 0.263 177 HA SER 51 HA SER 51 11.221 -10.886 -2.248 178 1HB SER 51 HB2 SER 51 9.353 -12.741 -1.106 179 2HB SER 51 HB1 SER 51 8.543 -11.790 -2.351 180 HG SER 51 HG SER 51 9.690 -12.761 -3.824 181 H ALA 52 HN ALA 52 7.938 -10.430 -1.004 182 HA ALA 52 HA ALA 52 7.770 -7.986 -2.517 183 1HB ALA 52 HB1 ALA 52 5.914 -9.918 -1.517 184 2HB ALA 52 HB2 ALA 52 5.661 -8.646 -2.711 185 3HB ALA 52 HB3 ALA 52 5.417 -8.306 -0.996 186 H SER 53 HN SER 53 9.492 -8.146 -0.049 187 HA SER 53 HA SER 53 8.148 -6.432 1.859 188 1HB SER 53 HB2 SER 53 9.605 -8.237 2.664 189 2HB SER 53 HB1 SER 53 10.978 -7.495 1.842 190 HG SER 53 HG SER 53 9.497 -6.489 4.033 191 H ALA 54 HN ALA 54 7.874 -4.422 1.055 192 HA ALA 54 HA ALA 54 10.298 -2.966 0.236 193 1HB ALA 54 HB1 ALA 54 8.795 -1.465 -1.045 194 2HB ALA 54 HB2 ALA 54 7.476 -2.584 -0.693 195 3HB ALA 54 HB3 ALA 54 8.852 -3.123 -1.654 196 H GLN 55 HN GLN 55 10.832 -1.218 1.292 197 HA GLN 55 HA GLN 55 9.217 -0.408 3.570 198 1HB GLN 55 HB2 GLN 55 11.837 -0.873 3.385 199 2HB GLN 55 HB1 GLN 55 11.850 0.836 2.980 200 1HG GLN 55 HG2 GLN 55 11.034 1.461 5.070 201 2HG GLN 55 HG1 GLN 55 10.425 -0.156 5.417 202 1HE2 GLN 55 HE21 GLN 55 11.966 -1.824 5.873 203 2HE2 GLN 55 HE22 GLN 55 13.499 -1.421 6.560 204 H ASN 56 HN ASN 56 10.748 2.189 3.306 205 HA ASN 56 HA ASN 56 8.675 3.830 2.331 206 1HB ASN 56 HB2 ASN 56 10.472 5.633 2.320 207 2HB ASN 56 HB1 ASN 56 10.222 4.817 3.860 208 1HD2 ASN 56 HD21 ASN 56 12.548 6.218 2.520 209 2HD2 ASN 56 HD22 ASN 56 13.863 5.114 2.706 210 H TYR 57 HN TYR 57 8.278 2.640 0.340 211 HA TYR 57 HA TYR 57 10.198 3.078 -1.815 212 1HB TYR 57 HB2 TYR 57 9.126 0.848 -1.564 213 2HB TYR 57 HB1 TYR 57 7.560 1.596 -1.858 214 HD1 TYR 57 HD1 TYR 57 7.350 2.923 -4.107 215 HD2 TYR 57 HD2 TYR 57 10.306 -0.040 -3.347 216 HE1 TYR 57 HE1 TYR 57 7.654 2.614 -6.528 217 HE2 TYR 57 HE2 TYR 57 10.620 -0.356 -5.766 218 HH TYR 57 HH TYR 57 9.534 1.780 -8.056 219 H GLU 58 HN GLU 58 10.095 4.961 -2.833 220 HA GLU 58 HA GLU 58 7.758 6.602 -2.754 221 1HB GLU 58 HB2 GLU 58 9.921 7.124 -4.745 222 2HB GLU 58 HB1 GLU 58 9.020 8.257 -3.748 223 1HG GLU 58 HG2 GLU 58 10.291 7.340 -1.772 224 2HG GLU 58 HG1 GLU 58 11.319 6.504 -2.936 225 H LEU 59 HN LEU 59 6.145 5.394 -3.612 226 HA LEU 59 HA LEU 59 6.333 4.588 -6.415 227 1HB LEU 59 HB2 LEU 59 5.416 2.936 -4.905 228 2HB LEU 59 HB1 LEU 59 4.239 4.082 -4.298 229 HG LEU 59 HG LEU 59 2.989 4.017 -6.345 230 1HD1 LEU 59 HD11 LEU 59 4.470 1.966 -7.759 231 2HD1 LEU 59 HD12 LEU 59 5.423 3.433 -7.559 232 3HD1 LEU 59 HD13 LEU 59 3.846 3.508 -8.340 233 1HD2 LEU 59 HD21 LEU 59 2.717 1.451 -6.584 234 2HD2 LEU 59 HD22 LEU 59 2.276 2.250 -5.074 235 3HD2 LEU 59 HD23 LEU 59 3.812 1.393 -5.203 236 H THR 60 HN THR 60 4.686 5.255 -7.927 237 HA THR 60 HA THR 60 3.560 7.899 -7.262 238 HB THR 60 HB THR 60 3.527 7.208 -10.102 239 HG1 THR 60 HG1 THR 60 6.062 7.316 -8.826 240 1HG2 THR 60 HG21 THR 60 5.317 9.345 -9.291 241 2HG2 THR 60 HG22 THR 60 3.699 9.505 -8.608 242 3HG2 THR 60 HG23 THR 60 3.910 9.378 -10.354 243 H ILE 61 HN ILE 61 1.387 7.722 -6.794 244 HA ILE 61 HA ILE 61 -0.061 5.465 -7.890 245 HB ILE 61 HB ILE 61 -1.968 6.436 -6.518 246 1HG1 ILE 61 HG12 ILE 61 0.279 7.984 -5.215 247 2HG1 ILE 61 HG11 ILE 61 -0.904 8.711 -6.298 248 1HG2 ILE 61 HG21 ILE 61 -1.325 4.751 -5.228 249 2HG2 ILE 61 HG22 ILE 61 -0.184 5.824 -4.414 250 3HG2 ILE 61 HG23 ILE 61 0.325 4.897 -5.827 251 1HD1 ILE 61 HD11 ILE 61 -1.533 7.334 -3.698 252 2HD1 ILE 61 HD12 ILE 61 -2.688 8.133 -4.764 253 3HD1 ILE 61 HD13 ILE 61 -1.445 9.077 -3.944 254 H GLY 62 HN GLY 62 -0.635 5.702 -9.889 255 1HA GLY 62 HA2 GLY 62 -2.568 6.748 -11.153 256 2HA GLY 62 HA1 GLY 62 -1.777 8.274 -10.764 257 H SER 63 HN SER 63 0.293 5.608 -11.352 258 HA SER 63 HA SER 63 1.062 6.779 -13.922 259 1HB SER 63 HB2 SER 63 2.584 5.114 -11.918 260 2HB SER 63 HB1 SER 63 3.195 5.443 -13.540 261 HG SER 63 HG SER 63 2.397 7.484 -11.745 262 H ASN 64 HN ASN 64 -0.509 4.095 -12.577 263 HA ASN 64 HA ASN 64 -1.372 2.203 -13.467 264 1HB ASN 64 HB2 ASN 64 -0.714 3.797 -15.881 265 2HB ASN 64 HB1 ASN 64 -0.995 2.076 -16.124 266 1HD2 ASN 64 HD21 ASN 64 -2.951 1.949 -16.981 267 2HD2 ASN 64 HD22 ASN 64 -4.383 2.662 -16.328 268 H SER 65 HN SER 65 1.509 2.445 -12.670 269 HA SER 65 HA SER 65 2.727 0.378 -14.343 270 1HB SER 65 HB2 SER 65 3.917 2.549 -13.509 271 2HB SER 65 HB1 SER 65 4.101 1.657 -11.999 272 HG SER 65 HG SER 65 5.645 0.565 -12.894 273 H PHE 66 HN PHE 66 1.199 0.773 -11.277 274 HA PHE 66 HA PHE 66 2.236 -1.789 -10.318 275 1HB PHE 66 HB2 PHE 66 1.375 0.620 -9.043 276 2HB PHE 66 HB1 PHE 66 0.351 -0.701 -8.490 277 HD1 PHE 66 HD1 PHE 66 3.868 0.392 -8.829 278 HD2 PHE 66 HD2 PHE 66 1.141 -2.275 -6.944 279 HE1 PHE 66 HE1 PHE 66 5.646 -0.331 -7.289 280 HE2 PHE 66 HE2 PHE 66 2.913 -3.002 -5.399 281 HZ PHE 66 HZ PHE 66 5.169 -2.030 -5.571 282 H ILE 67 HN ILE 67 0.777 -3.443 -9.555 283 HA ILE 67 HA ILE 67 -1.225 -4.109 -11.386 284 HB ILE 67 HB ILE 67 -1.913 -5.854 -9.754 285 1HG1 ILE 67 HG12 ILE 67 0.197 -4.560 -8.013 286 2HG1 ILE 67 HG11 ILE 67 -1.532 -4.612 -7.683 287 1HG2 ILE 67 HG21 ILE 67 1.058 -5.599 -10.197 288 2HG2 ILE 67 HG22 ILE 67 -0.111 -6.266 -11.337 289 3HG2 ILE 67 HG23 ILE 67 0.198 -7.089 -9.808 290 1HD1 ILE 67 HD11 ILE 67 -0.307 -6.249 -6.359 291 2HD1 ILE 67 HD12 ILE 67 0.297 -6.999 -7.836 292 3HD1 ILE 67 HD13 ILE 67 -1.428 -7.033 -7.471 293 H LYS 68 HN LYS 68 -3.536 -4.589 -10.797 294 HA LYS 68 HA LYS 68 -4.750 -2.169 -9.812 295 1HB LYS 68 HB2 LYS 68 -5.573 -3.504 -11.797 296 2HB LYS 68 HB1 LYS 68 -6.142 -4.711 -10.653 297 1HG LYS 68 HG2 LYS 68 -8.050 -3.589 -10.571 298 2HG LYS 68 HG1 LYS 68 -7.182 -2.323 -9.701 299 1HD LYS 68 HD2 LYS 68 -6.845 -1.060 -11.646 300 2HD LYS 68 HD1 LYS 68 -7.205 -2.428 -12.701 301 1HE LYS 68 HE2 LYS 68 -9.272 -1.615 -12.864 302 2HE LYS 68 HE1 LYS 68 -9.507 -2.116 -11.190 303 1HZ LYS 68 HZ1 LYS 68 -10.095 0.200 -11.498 304 2HZ LYS 68 HZ2 LYS 68 -8.548 0.549 -12.085 305 3HZ LYS 68 HZ3 LYS 68 -8.753 0.072 -10.476 306 H GLY 69 HN GLY 69 -5.347 -1.801 -7.772 307 1HA GLY 69 HA2 GLY 69 -6.675 -2.539 -5.866 308 2HA GLY 69 HA1 GLY 69 -5.953 -4.130 -6.062 309 H PHE 70 HN PHE 70 -3.314 -2.820 -6.625 310 HA PHE 70 HA PHE 70 -2.415 -2.734 -3.892 311 1HB PHE 70 HB2 PHE 70 -1.216 -3.855 -5.833 312 2HB PHE 70 HB1 PHE 70 -0.773 -2.246 -6.379 313 HD1 PHE 70 HD1 PHE 70 0.293 -0.749 -4.425 314 HD2 PHE 70 HD2 PHE 70 0.315 -4.999 -4.600 315 HE1 PHE 70 HE1 PHE 70 2.260 -0.798 -2.956 316 HE2 PHE 70 HE2 PHE 70 2.285 -5.053 -3.127 317 HZ PHE 70 HZ PHE 70 3.258 -2.949 -2.306 318 H GLU 71 HN GLU 71 -1.309 -0.566 -6.476 319 HA GLU 71 HA GLU 71 -0.670 1.608 -4.936 320 1HB GLU 71 HB2 GLU 71 -1.054 2.973 -6.997 321 2HB GLU 71 HB1 GLU 71 -0.060 1.544 -7.248 322 1HG GLU 71 HG2 GLU 71 -1.761 0.416 -8.382 323 2HG GLU 71 HG1 GLU 71 -3.006 1.513 -7.787 324 H THR 72 HN THR 72 -3.838 0.677 -6.169 325 HA THR 72 HA THR 72 -5.202 3.066 -5.587 326 HB THR 72 HB THR 72 -7.254 1.610 -5.713 327 HG1 THR 72 HG1 THR 72 -7.003 -0.449 -5.541 328 1HG2 THR 72 HG21 THR 72 -6.811 0.816 -8.083 329 2HG2 THR 72 HG22 THR 72 -5.207 1.526 -7.898 330 3HG2 THR 72 HG23 THR 72 -6.642 2.542 -7.764 331 H GLY 73 HN GLY 73 -5.211 -0.020 -3.771 332 1HA GLY 73 HA2 GLY 73 -6.806 0.763 -1.651 333 2HA GLY 73 HA1 GLY 73 -5.531 -0.438 -1.530 334 H LEU 74 HN LEU 74 -3.568 1.737 -2.327 335 HA LEU 74 HA LEU 74 -3.083 2.662 0.392 336 1HB LEU 74 HB2 LEU 74 -1.411 3.134 -2.078 337 2HB LEU 74 HB1 LEU 74 -0.900 3.277 -0.406 338 HG LEU 74 HG LEU 74 -1.691 0.706 -1.767 339 1HD1 LEU 74 HD11 LEU 74 0.936 2.011 -1.242 340 2HD1 LEU 74 HD12 LEU 74 0.365 1.177 -2.685 341 3HD1 LEU 74 HD13 LEU 74 0.809 0.254 -1.251 342 1HD2 LEU 74 HD21 LEU 74 -2.231 0.647 0.576 343 2HD2 LEU 74 HD22 LEU 74 -0.633 1.262 0.995 344 3HD2 LEU 74 HD23 LEU 74 -0.802 -0.338 0.276 345 H ILE 75 HN ILE 75 -4.040 3.939 -2.719 346 HA ILE 75 HA ILE 75 -3.626 6.676 -2.097 347 HB ILE 75 HB ILE 75 -4.770 7.238 -4.080 348 1HG1 ILE 75 HG12 ILE 75 -5.807 4.535 -4.700 349 2HG1 ILE 75 HG11 ILE 75 -6.667 5.409 -3.445 350 1HG2 ILE 75 HG21 ILE 75 -3.225 6.375 -5.392 351 2HG2 ILE 75 HG22 ILE 75 -3.886 4.751 -5.232 352 3HG2 ILE 75 HG23 ILE 75 -2.742 5.360 -4.036 353 1HD1 ILE 75 HD11 ILE 75 -6.206 6.290 -6.277 354 2HD1 ILE 75 HD12 ILE 75 -6.926 7.302 -5.024 355 3HD1 ILE 75 HD13 ILE 75 -7.734 5.819 -5.533 356 H ALA 76 HN ALA 76 -6.300 4.515 -1.544 357 HA ALA 76 HA ALA 76 -8.226 6.544 -1.030 358 1HB ALA 76 HB1 ALA 76 -8.618 4.096 -1.700 359 2HB ALA 76 HB2 ALA 76 -9.717 4.829 -0.532 360 3HB ALA 76 HB3 ALA 76 -8.441 3.744 0.019 361 H MET 77 HN MET 77 -5.635 5.348 0.834 362 HA MET 77 HA MET 77 -6.939 6.276 3.311 363 1HB MET 77 HB2 MET 77 -5.794 3.898 3.015 364 2HB MET 77 HB1 MET 77 -4.337 4.813 3.375 365 1HG MET 77 HG2 MET 77 -5.175 3.862 5.399 366 2HG MET 77 HG1 MET 77 -5.398 5.609 5.458 367 1HE MET 77 HE1 MET 77 -8.544 6.105 6.658 368 2HE MET 77 HE2 MET 77 -6.802 6.069 6.928 369 3HE MET 77 HE3 MET 77 -7.830 4.823 7.636 370 H LYS 78 HN LYS 78 -5.673 7.535 4.817 371 HA LYS 78 HA LYS 78 -4.316 9.675 3.509 372 1HB LYS 78 HB2 LYS 78 -5.667 9.417 5.879 373 2HB LYS 78 HB1 LYS 78 -3.998 9.477 6.429 374 1HG LYS 78 HG2 LYS 78 -3.678 11.587 5.244 375 2HG LYS 78 HG1 LYS 78 -5.349 11.524 4.680 376 1HD LYS 78 HD2 LYS 78 -5.352 12.965 6.552 377 2HD LYS 78 HD1 LYS 78 -6.025 11.436 7.120 378 1HE LYS 78 HE2 LYS 78 -4.366 12.483 8.669 379 2HE LYS 78 HE1 LYS 78 -3.971 10.838 8.173 380 1HZ LYS 78 HZ1 LYS 78 -2.174 11.520 7.016 381 2HZ LYS 78 HZ2 LYS 78 -2.224 12.817 8.101 382 3HZ LYS 78 HZ3 LYS 78 -2.871 12.990 6.548 383 H VAL 79 HN VAL 79 -2.246 10.232 5.493 384 HA VAL 79 HA VAL 79 -0.287 8.267 4.571 385 HB VAL 79 HB VAL 79 -0.016 11.116 5.545 386 1HG1 VAL 79 HG11 VAL 79 2.412 10.865 5.040 387 2HG1 VAL 79 HG12 VAL 79 2.151 9.129 4.912 388 3HG1 VAL 79 HG13 VAL 79 1.868 9.949 6.445 389 1HG2 VAL 79 HG21 VAL 79 0.428 9.766 2.894 390 2HG2 VAL 79 HG22 VAL 79 1.013 11.388 3.261 391 3HG2 VAL 79 HG23 VAL 79 -0.717 11.048 3.285 392 H ASN 80 HN ASN 80 1.426 7.663 6.096 393 HA ASN 80 HA ASN 80 2.199 6.852 8.073 394 1HB ASN 80 HB2 ASN 80 1.512 9.372 8.683 395 2HB ASN 80 HB1 ASN 80 0.383 8.517 9.730 396 1HD2 ASN 80 HD21 ASN 80 1.609 6.494 10.764 397 2HD2 ASN 80 HD22 ASN 80 3.064 6.932 11.586 398 H GLN 81 HN GLN 81 -0.417 5.956 6.773 399 HA GLN 81 HA GLN 81 -1.685 4.715 9.117 400 1HB GLN 81 HB2 GLN 81 -2.619 5.439 6.390 401 2HB GLN 81 HB1 GLN 81 -3.327 4.008 7.127 402 1HG GLN 81 HG2 GLN 81 -3.208 6.511 8.723 403 2HG GLN 81 HG1 GLN 81 -4.398 6.388 7.427 404 1HE2 GLN 81 HE21 GLN 81 -3.233 4.836 10.364 405 2HE2 GLN 81 HE22 GLN 81 -4.732 4.089 10.784 406 H LYS 82 HN LYS 82 -1.862 2.508 9.340 407 HA LYS 82 HA LYS 82 0.016 0.939 7.765 408 1HB LYS 82 HB2 LYS 82 -0.257 0.900 10.350 409 2HB LYS 82 HB1 LYS 82 -1.638 -0.139 10.028 410 1HG LYS 82 HG2 LYS 82 -0.137 -1.790 10.177 411 2HG LYS 82 HG1 LYS 82 0.264 -1.338 8.519 412 1HD LYS 82 HD2 LYS 82 2.310 -0.698 9.123 413 2HD LYS 82 HD1 LYS 82 1.664 0.348 10.389 414 1HE LYS 82 HE2 LYS 82 1.478 -2.441 11.129 415 2HE LYS 82 HE1 LYS 82 3.135 -1.995 10.727 416 1HZ LYS 82 HZ1 LYS 82 1.430 -1.043 12.906 417 2HZ LYS 82 HZ2 LYS 82 2.542 0.046 12.246 418 3HZ LYS 82 HZ3 LYS 82 3.082 -1.413 12.909 419 H LYS 83 HN LYS 83 -0.825 0.354 5.848 420 HA LYS 83 HA LYS 83 -3.566 -0.648 5.733 421 1HB LYS 83 HB2 LYS 83 -1.846 0.771 3.927 422 2HB LYS 83 HB1 LYS 83 -2.375 -0.723 3.167 423 1HG LYS 83 HG2 LYS 83 -4.304 1.161 4.479 424 2HG LYS 83 HG1 LYS 83 -3.801 1.344 2.797 425 1HD LYS 83 HD2 LYS 83 -4.521 -1.058 2.458 426 2HD LYS 83 HD1 LYS 83 -5.263 -0.968 4.057 427 1HE LYS 83 HE2 LYS 83 -6.218 1.293 2.853 428 2HE LYS 83 HE1 LYS 83 -6.140 0.163 1.502 429 1HZ LYS 83 HZ1 LYS 83 -7.567 -0.259 4.072 430 2HZ LYS 83 HZ2 LYS 83 -7.431 -1.417 2.846 431 3HZ LYS 83 HZ3 LYS 83 -8.276 0.020 2.561 432 H THR 84 HN THR 84 -2.970 -2.618 6.918 433 HA THR 84 HA THR 84 -1.272 -4.525 5.544 434 HB THR 84 HB THR 84 -2.983 -4.966 7.995 435 HG1 THR 84 HG1 THR 84 -1.042 -4.517 9.134 436 1HG2 THR 84 HG21 THR 84 -2.175 -7.016 8.049 437 2HG2 THR 84 HG22 THR 84 -0.527 -6.390 8.015 438 3HG2 THR 84 HG23 THR 84 -1.372 -6.731 6.505 439 H LEU 85 HN LEU 85 -2.799 -4.287 3.635 440 HA LEU 85 HA LEU 85 -5.260 -5.828 3.876 441 1HB LEU 85 HB2 LEU 85 -5.402 -3.772 2.647 442 2HB LEU 85 HB1 LEU 85 -4.058 -4.233 1.621 443 HG LEU 85 HG LEU 85 -6.489 -5.959 1.620 444 1HD1 LEU 85 HD11 LEU 85 -7.373 -4.491 -0.240 445 2HD1 LEU 85 HD12 LEU 85 -6.277 -3.243 0.351 446 3HD1 LEU 85 HD13 LEU 85 -7.551 -3.865 1.399 447 1HD2 LEU 85 HD21 LEU 85 -4.105 -5.971 0.259 448 2HD2 LEU 85 HD22 LEU 85 -5.203 -5.203 -0.887 449 3HD2 LEU 85 HD23 LEU 85 -5.579 -6.800 -0.241 450 H ALA 86 HN ALA 86 -5.676 -7.740 2.813 451 HA ALA 86 HA ALA 86 -3.344 -9.292 2.034 452 1HB ALA 86 HB1 ALA 86 -5.636 -10.859 1.688 453 2HB ALA 86 HB2 ALA 86 -5.952 -9.868 3.113 454 3HB ALA 86 HB3 ALA 86 -4.515 -10.890 3.050 455 H LEU 87 HN LEU 87 -2.831 -8.241 0.064 456 HA LEU 87 HA LEU 87 -4.802 -8.219 -2.057 457 1HB LEU 87 HB2 LEU 87 -3.181 -6.355 -1.665 458 2HB LEU 87 HB1 LEU 87 -1.904 -7.432 -2.194 459 HG LEU 87 HG LEU 87 -3.014 -7.626 -4.401 460 1HD1 LEU 87 HD11 LEU 87 -5.209 -6.562 -3.063 461 2HD1 LEU 87 HD12 LEU 87 -5.065 -6.872 -4.793 462 3HD1 LEU 87 HD13 LEU 87 -4.672 -5.279 -4.148 463 1HD2 LEU 87 HD21 LEU 87 -2.762 -4.722 -4.163 464 2HD2 LEU 87 HD22 LEU 87 -1.853 -5.865 -5.151 465 3HD2 LEU 87 HD23 LEU 87 -1.419 -5.621 -3.459 466 H THR 88 HN THR 88 -4.499 -9.182 -4.106 467 HA THR 88 HA THR 88 -3.162 -11.773 -3.953 468 HB THR 88 HB THR 88 -4.707 -10.942 -6.360 469 HG1 THR 88 HG1 THR 88 -6.656 -11.429 -5.252 470 1HG2 THR 88 HG21 THR 88 -3.833 -13.383 -5.207 471 2HG2 THR 88 HG22 THR 88 -4.680 -13.115 -6.730 472 3HG2 THR 88 HG23 THR 88 -5.596 -13.376 -5.246 473 H PHE 89 HN PHE 89 -2.234 -12.474 -6.193 474 HA PHE 89 HA PHE 89 -0.546 -10.283 -7.210 475 1HB PHE 89 HB2 PHE 89 0.156 -13.002 -6.265 476 2HB PHE 89 HB1 PHE 89 0.963 -12.465 -7.722 477 HD1 PHE 89 HD1 PHE 89 1.455 -12.782 -4.397 478 HD2 PHE 89 HD2 PHE 89 1.667 -9.790 -7.415 479 HE1 PHE 89 HE1 PHE 89 3.086 -11.540 -3.042 480 HE2 PHE 89 HE2 PHE 89 3.299 -8.541 -6.062 481 HZ PHE 89 HZ PHE 89 4.013 -9.417 -3.875 482 HA PRO 90 HA PRO 90 -2.739 -11.704 -10.902 483 1HB PRO 90 HB2 PRO 90 -2.414 -9.480 -12.352 484 2HB PRO 90 HB1 PRO 90 -3.546 -9.533 -10.994 485 1HG PRO 90 HG2 PRO 90 -0.753 -8.438 -11.086 486 2HG PRO 90 HG1 PRO 90 -2.214 -7.712 -10.386 487 1HD PRO 90 HD2 PRO 90 -0.351 -9.039 -8.904 488 2HD PRO 90 HD1 PRO 90 -2.069 -8.970 -8.467 489 H SER 91 HN SER 91 -2.164 -12.071 -13.136 490 HA SER 91 HA SER 91 0.387 -13.130 -13.512 491 1HB SER 91 HB2 SER 91 -1.847 -12.401 -15.378 492 2HB SER 91 HB1 SER 91 -0.298 -12.939 -16.027 493 HG SER 91 HG SER 91 -0.723 -14.905 -15.400 494 H ASP 92 HN ASP 92 -0.897 -9.954 -14.101 495 HA ASP 92 HA ASP 92 0.842 -8.805 -15.849 496 1HB ASP 92 HB2 ASP 92 -1.118 -7.739 -14.604 497 2HB ASP 92 HB1 ASP 92 0.027 -7.400 -13.310 498 H TYR 93 HN TYR 93 1.497 -9.624 -12.483 499 HA TYR 93 HA TYR 93 3.790 -8.160 -12.037 500 1HB TYR 93 HB2 TYR 93 2.457 -10.205 -10.704 501 2HB TYR 93 HB1 TYR 93 4.084 -10.834 -10.960 502 HD1 TYR 93 HD1 TYR 93 2.256 -7.860 -9.665 503 HD2 TYR 93 HD2 TYR 93 5.835 -10.157 -9.565 504 HE1 TYR 93 HE1 TYR 93 3.078 -6.486 -7.799 505 HE2 TYR 93 HE2 TYR 93 6.666 -8.792 -7.695 506 HH TYR 93 HH TYR 93 4.648 -6.502 -6.047 507 H HIS 94 HN HIS 94 5.896 -8.302 -12.530 508 HA HIS 94 HA HIS 94 6.677 -9.513 -14.918 509 1HB HIS 94 HB2 HIS 94 7.843 -7.799 -12.949 510 2HB HIS 94 HB1 HIS 94 9.001 -9.062 -13.353 511 HD1 HIS 94 HD1 HIS 94 8.067 -9.251 -16.405 512 HD2 HIS 94 HD2 HIS 94 9.167 -5.809 -14.353 513 HE1 HIS 94 HE1 HIS 94 8.797 -7.618 -18.173 514 HE2 HIS 94 HE2 HIS 94 9.382 -5.516 -16.914 515 H VAL 95 HN VAL 95 6.576 -10.820 -11.710 516 HA VAL 95 HA VAL 95 8.348 -13.010 -12.480 517 HB VAL 95 HB VAL 95 8.688 -11.914 -10.287 518 1HG1 VAL 95 HG11 VAL 95 7.086 -11.693 -8.773 519 2HG1 VAL 95 HG12 VAL 95 6.531 -13.356 -8.979 520 3HG1 VAL 95 HG13 VAL 95 5.964 -12.088 -10.073 521 1HG2 VAL 95 HG21 VAL 95 8.064 -14.848 -10.438 522 2HG2 VAL 95 HG22 VAL 95 8.749 -14.107 -8.992 523 3HG2 VAL 95 HG23 VAL 95 9.635 -14.050 -10.516 524 H LYS 96 HN LYS 96 7.699 -14.959 -12.908 525 HA LYS 96 HA LYS 96 5.134 -15.614 -13.686 526 1HB LYS 96 HB2 LYS 96 7.632 -17.006 -13.359 527 2HB LYS 96 HB1 LYS 96 6.300 -18.043 -12.870 528 1HG LYS 96 HG2 LYS 96 5.204 -17.531 -15.056 529 2HG LYS 96 HG1 LYS 96 6.686 -16.699 -15.532 530 1HD LYS 96 HD2 LYS 96 6.764 -18.928 -16.409 531 2HD LYS 96 HD1 LYS 96 7.932 -18.815 -15.091 532 1HE LYS 96 HE2 LYS 96 6.965 -20.604 -14.190 533 2HE LYS 96 HE1 LYS 96 5.548 -19.603 -13.879 534 1HZ LYS 96 HZ1 LYS 96 6.041 -21.459 -16.117 535 2HZ LYS 96 HZ2 LYS 96 4.919 -20.204 -16.276 536 3HZ LYS 96 HZ3 LYS 96 4.709 -21.378 -15.076 537 H GLU 97 HN GLU 97 6.667 -16.381 -10.573 538 HA GLU 97 HA GLU 97 4.576 -17.860 -9.502 539 1HB GLU 97 HB2 GLU 97 5.565 -17.280 -7.275 540 2HB GLU 97 HB1 GLU 97 6.690 -17.961 -8.442 541 1HG GLU 97 HG2 GLU 97 6.894 -15.254 -8.873 542 2HG GLU 97 HG1 GLU 97 6.700 -15.376 -7.126 543 H LEU 98 HN LEU 98 5.106 -14.355 -9.290 544 HA LEU 98 HA LEU 98 2.774 -14.045 -7.635 545 1HB LEU 98 HB2 LEU 98 4.738 -12.135 -8.811 546 2HB LEU 98 HB1 LEU 98 3.227 -11.544 -8.170 547 HG LEU 98 HG LEU 98 3.939 -11.686 -6.075 548 1HD1 LEU 98 HD11 LEU 98 5.020 -14.404 -6.746 549 2HD1 LEU 98 HD12 LEU 98 3.555 -14.012 -5.844 550 3HD1 LEU 98 HD13 LEU 98 5.140 -13.677 -5.144 551 1HD2 LEU 98 HD21 LEU 98 5.996 -10.908 -7.417 552 2HD2 LEU 98 HD22 LEU 98 6.668 -12.482 -7.001 553 3HD2 LEU 98 HD23 LEU 98 6.211 -11.350 -5.722 554 H GLN 99 HN GLN 99 2.443 -15.246 -10.242 555 HA GLN 99 HA GLN 99 0.886 -13.306 -11.717 556 1HB GLN 99 HB2 GLN 99 1.532 -16.225 -12.133 557 2HB GLN 99 HB1 GLN 99 0.324 -15.401 -13.109 558 1HG GLN 99 HG2 GLN 99 2.112 -13.740 -13.722 559 2HG GLN 99 HG1 GLN 99 3.267 -14.814 -12.941 560 1HE2 GLN 99 HE21 GLN 99 3.112 -17.139 -13.712 561 2HE2 GLN 99 HE22 GLN 99 2.949 -17.371 -15.416 562 H SER 100 HN SER 100 0.531 -16.033 -9.545 563 HA SER 100 HA SER 100 -2.275 -15.288 -9.103 564 1HB SER 100 HB2 SER 100 -1.948 -17.302 -10.737 565 2HB SER 100 HB1 SER 100 -1.572 -18.201 -9.268 566 HG SER 100 HG SER 100 -3.632 -17.379 -8.458 567 H LYS 101 HN LYS 101 -0.508 -14.459 -7.311 568 HA LYS 101 HA LYS 101 -0.555 -16.488 -5.175 569 1HB LYS 101 HB2 LYS 101 1.709 -15.985 -5.997 570 2HB LYS 101 HB1 LYS 101 1.484 -14.302 -5.543 571 1HG LYS 101 HG2 LYS 101 1.175 -15.029 -3.193 572 2HG LYS 101 HG1 LYS 101 1.549 -16.678 -3.697 573 1HD LYS 101 HD2 LYS 101 3.705 -15.626 -4.677 574 2HD LYS 101 HD1 LYS 101 3.335 -14.275 -3.604 575 1HE LYS 101 HE2 LYS 101 3.062 -16.237 -1.844 576 2HE LYS 101 HE1 LYS 101 4.160 -17.055 -2.955 577 1HZ LYS 101 HZ1 LYS 101 5.604 -15.023 -2.756 578 2HZ LYS 101 HZ2 LYS 101 5.500 -15.984 -1.368 579 3HZ LYS 101 HZ3 LYS 101 4.625 -14.540 -1.462 580 HA PRO 102 HA PRO 102 -3.104 -13.259 -3.204 581 1HB PRO 102 HB2 PRO 102 -4.172 -14.875 -1.324 582 2HB PRO 102 HB1 PRO 102 -4.769 -14.852 -2.989 583 1HG PRO 102 HG2 PRO 102 -2.884 -16.778 -1.679 584 2HG PRO 102 HG1 PRO 102 -4.249 -17.111 -2.762 585 1HD PRO 102 HD2 PRO 102 -1.675 -17.080 -3.619 586 2HD PRO 102 HD1 PRO 102 -3.037 -16.606 -4.653 587 H VAL 103 HN VAL 103 -1.365 -12.085 -2.333 588 HA VAL 103 HA VAL 103 -0.041 -13.184 0.041 589 HB VAL 103 HB VAL 103 1.258 -12.278 -1.935 590 1HG1 VAL 103 HG11 VAL 103 -0.368 -10.061 -1.588 591 2HG1 VAL 103 HG12 VAL 103 1.070 -10.157 -2.602 592 3HG1 VAL 103 HG13 VAL 103 1.195 -9.550 -0.953 593 1HG2 VAL 103 HG21 VAL 103 1.968 -12.541 0.581 594 2HG2 VAL 103 HG22 VAL 103 2.054 -10.781 0.511 595 3HG2 VAL 103 HG23 VAL 103 3.032 -11.756 -0.586 596 H THR 104 HN THR 104 0.533 -11.711 1.774 597 HA THR 104 HA THR 104 -1.635 -9.844 2.437 598 HB THR 104 HB THR 104 0.123 -10.544 4.639 599 HG1 THR 104 HG1 THR 104 -1.365 -12.657 3.479 600 1HG2 THR 104 HG21 THR 104 -2.347 -9.639 4.548 601 2HG2 THR 104 HG22 THR 104 -1.773 -10.650 5.875 602 3HG2 THR 104 HG23 THR 104 -2.720 -11.363 4.568 603 H PHE 105 HN PHE 105 -1.025 -7.878 1.801 604 HA PHE 105 HA PHE 105 1.773 -7.087 2.019 605 1HB PHE 105 HB2 PHE 105 -0.643 -5.872 0.698 606 2HB PHE 105 HB1 PHE 105 0.843 -4.960 0.907 607 HD1 PHE 105 HD1 PHE 105 2.759 -7.293 0.393 608 HD2 PHE 105 HD2 PHE 105 -0.717 -5.904 -1.630 609 HE1 PHE 105 HE1 PHE 105 3.619 -8.212 -1.721 610 HE2 PHE 105 HE2 PHE 105 0.137 -6.823 -3.742 611 HZ PHE 105 HZ PHE 105 2.307 -7.971 -3.790 612 H GLU 106 HN GLU 106 2.534 -5.924 3.630 613 HA GLU 106 HA GLU 106 0.671 -4.498 5.404 614 1HB GLU 106 HB2 GLU 106 2.024 -5.796 6.798 615 2HB GLU 106 HB1 GLU 106 3.424 -5.644 5.748 616 1HG GLU 106 HG2 GLU 106 4.028 -3.602 6.617 617 2HG GLU 106 HG1 GLU 106 2.393 -3.234 7.166 618 H VAL 107 HN VAL 107 0.331 -2.791 3.907 619 HA VAL 107 HA VAL 107 2.652 -1.288 3.025 620 HB VAL 107 HB VAL 107 -0.025 -0.232 2.353 621 1HG1 VAL 107 HG11 VAL 107 1.213 0.742 0.802 622 2HG1 VAL 107 HG12 VAL 107 1.671 -0.828 0.144 623 3HG1 VAL 107 HG13 VAL 107 2.635 -0.093 1.426 624 1HG2 VAL 107 HG21 VAL 107 0.052 -2.090 0.446 625 2HG2 VAL 107 HG22 VAL 107 -0.819 -2.338 1.959 626 3HG2 VAL 107 HG23 VAL 107 0.790 -3.027 1.744 627 H VAL 108 HN VAL 108 3.495 0.153 4.364 628 HA VAL 108 HA VAL 108 1.886 1.517 6.330 629 HB VAL 108 HB VAL 108 4.761 1.185 5.689 630 1HG1 VAL 108 HG11 VAL 108 4.924 3.512 5.729 631 2HG1 VAL 108 HG12 VAL 108 5.234 3.074 7.408 632 3HG1 VAL 108 HG13 VAL 108 3.648 3.680 6.934 633 1HG2 VAL 108 HG21 VAL 108 4.916 0.393 7.816 634 2HG2 VAL 108 HG22 VAL 108 3.204 0.088 7.525 635 3HG2 VAL 108 HG23 VAL 108 3.703 1.509 8.443 636 H LEU 109 HN LEU 109 0.518 2.804 5.212 637 HA LEU 109 HA LEU 109 0.923 4.202 2.911 638 1HB LEU 109 HB2 LEU 109 -1.145 3.810 4.549 639 2HB LEU 109 HB1 LEU 109 -0.823 5.502 4.881 640 HG LEU 109 HG LEU 109 -2.456 5.402 3.149 641 1HD1 LEU 109 HD11 LEU 109 -1.501 6.824 1.611 642 2HD1 LEU 109 HD12 LEU 109 0.020 5.932 1.574 643 3HD1 LEU 109 HD13 LEU 109 -0.371 6.952 2.959 644 1HD2 LEU 109 HD21 LEU 109 -2.423 3.348 2.157 645 2HD2 LEU 109 HD22 LEU 109 -0.661 3.304 2.061 646 3HD2 LEU 109 HD23 LEU 109 -1.582 4.286 0.924 647 H LYS 110 HN LYS 110 3.184 5.107 3.233 648 HA LYS 110 HA LYS 110 3.031 7.736 4.557 649 1HB LYS 110 HB2 LYS 110 4.995 5.887 4.872 650 2HB LYS 110 HB1 LYS 110 5.631 6.789 3.506 651 1HG LYS 110 HG2 LYS 110 6.284 8.450 4.810 652 2HG LYS 110 HG1 LYS 110 4.676 8.593 5.522 653 1HD LYS 110 HD2 LYS 110 5.299 7.523 7.386 654 2HD LYS 110 HD1 LYS 110 6.127 6.256 6.479 655 1HE LYS 110 HE2 LYS 110 7.493 7.808 8.050 656 2HE LYS 110 HE1 LYS 110 8.136 7.397 6.461 657 1HZ LYS 110 HZ1 LYS 110 6.491 9.805 6.682 658 2HZ LYS 110 HZ2 LYS 110 7.826 9.497 5.690 659 3HZ LYS 110 HZ3 LYS 110 8.055 9.866 7.325 660 H ALA 111 HN ALA 111 2.914 9.513 3.126 661 HA ALA 111 HA ALA 111 3.575 8.875 0.333 662 1HB ALA 111 HB1 ALA 111 1.170 10.459 1.154 663 2HB ALA 111 HB2 ALA 111 1.160 8.740 0.759 664 3HB ALA 111 HB3 ALA 111 1.608 9.925 -0.468 665 H ILE 112 HN ILE 112 4.711 10.172 -0.761 666 HA ILE 112 HA ILE 112 5.240 12.917 0.179 667 HB ILE 112 HB ILE 112 6.905 11.088 -1.553 668 1HG1 ILE 112 HG12 ILE 112 7.775 12.287 1.049 669 2HG1 ILE 112 HG11 ILE 112 6.728 10.872 1.062 670 1HG2 ILE 112 HG21 ILE 112 8.408 13.320 -0.750 671 2HG2 ILE 112 HG22 ILE 112 6.884 13.950 -1.375 672 3HG2 ILE 112 HG23 ILE 112 7.882 12.902 -2.381 673 1HD1 ILE 112 HD11 ILE 112 8.419 9.732 -0.392 674 2HD1 ILE 112 HD12 ILE 112 8.961 10.110 1.243 675 3HD1 ILE 112 HD13 ILE 112 9.482 11.111 -0.112 676 H LYS 113 HN LYS 113 4.546 14.609 -1.253 677 HA LYS 113 HA LYS 113 3.495 13.705 -3.824 678 1HB LYS 113 HB2 LYS 113 3.094 16.325 -2.363 679 2HB LYS 113 HB1 LYS 113 2.308 15.861 -3.865 680 1HG LYS 113 HG2 LYS 113 0.822 14.519 -2.833 681 2HG LYS 113 HG1 LYS 113 1.982 13.989 -1.614 682 1HD LYS 113 HD2 LYS 113 1.269 15.515 -0.148 683 2HD LYS 113 HD1 LYS 113 1.349 16.807 -1.347 684 1HE LYS 113 HE2 LYS 113 -0.828 15.811 -2.272 685 2HE LYS 113 HE1 LYS 113 -0.921 14.938 -0.743 686 1HZ LYS 113 HZ1 LYS 113 -0.948 17.870 -1.163 687 2HZ LYS 113 HZ2 LYS 113 -0.697 17.171 0.357 688 3HZ LYS 113 HZ3 LYS 113 -2.152 16.907 -0.465 Start of MODEL 9 1 H LYS 29 HN LYS 29 -9.250 10.662 3.140 2 HA LYS 29 HA LYS 29 -9.025 7.801 2.483 3 1HB LYS 29 HB2 LYS 29 -11.088 9.792 1.652 4 2HB LYS 29 HB1 LYS 29 -10.609 8.556 0.498 5 1HG LYS 29 HG2 LYS 29 -11.032 7.024 2.666 6 2HG LYS 29 HG1 LYS 29 -12.178 8.329 2.978 7 1HD LYS 29 HD2 LYS 29 -12.126 7.220 0.233 8 2HD LYS 29 HD1 LYS 29 -12.783 6.182 1.500 9 1HE LYS 29 HE2 LYS 29 -14.623 7.376 0.641 10 2HE LYS 29 HE1 LYS 29 -14.226 8.154 2.172 11 1HZ LYS 29 HZ1 LYS 29 -13.133 9.914 1.013 12 2HZ LYS 29 HZ2 LYS 29 -14.671 9.725 0.335 13 3HZ LYS 29 HZ3 LYS 29 -13.311 9.132 -0.477 14 H LEU 30 HN LEU 30 -6.959 7.809 1.714 15 HA LEU 30 HA LEU 30 -6.087 9.873 -0.133 16 1HB LEU 30 HB2 LEU 30 -4.527 9.019 1.548 17 2HB LEU 30 HB1 LEU 30 -4.692 7.400 0.896 18 HG LEU 30 HG LEU 30 -3.880 8.767 -1.316 19 1HD1 LEU 30 HD11 LEU 30 -3.264 10.815 -0.582 20 2HD1 LEU 30 HD12 LEU 30 -1.780 9.958 -0.165 21 3HD1 LEU 30 HD13 LEU 30 -2.999 10.265 1.072 22 1HD2 LEU 30 HD21 LEU 30 -1.586 7.868 -0.710 23 2HD2 LEU 30 HD22 LEU 30 -2.909 6.702 -0.737 24 3HD2 LEU 30 HD23 LEU 30 -2.312 7.323 0.802 25 H ALA 31 HN ALA 31 -7.583 9.453 -1.849 26 HA ALA 31 HA ALA 31 -7.571 6.872 -3.116 27 1HB ALA 31 HB1 ALA 31 -9.121 9.327 -3.330 28 2HB ALA 31 HB2 ALA 31 -9.606 7.647 -3.567 29 3HB ALA 31 HB3 ALA 31 -8.833 8.538 -4.881 30 H ASN 32 HN ASN 32 -7.624 7.378 -5.773 31 HA ASN 32 HA ASN 32 -5.009 7.163 -6.566 32 1HB ASN 32 HB2 ASN 32 -7.182 8.331 -8.302 33 2HB ASN 32 HB1 ASN 32 -5.763 7.429 -8.823 34 1HD2 ASN 32 HD21 ASN 32 -7.921 6.471 -9.829 35 2HD2 ASN 32 HD22 ASN 32 -8.488 5.057 -9.016 36 H GLY 33 HN GLY 33 -4.318 8.776 -8.563 37 1HA GLY 33 HA2 GLY 33 -3.211 10.705 -9.049 38 2HA GLY 33 HA1 GLY 33 -4.550 11.529 -8.285 39 H ASP 34 HN ASP 34 -2.959 9.425 -6.142 40 HA ASP 34 HA ASP 34 -1.332 11.645 -5.087 41 1HB ASP 34 HB2 ASP 34 -2.913 9.534 -3.621 42 2HB ASP 34 HB1 ASP 34 -1.718 10.562 -2.837 43 H ILE 35 HN ILE 35 0.466 10.822 -3.598 44 HA ILE 35 HA ILE 35 1.730 8.479 -4.860 45 HB ILE 35 HB ILE 35 2.961 10.799 -3.407 46 1HG1 ILE 35 HG12 ILE 35 2.929 9.964 -6.293 47 2HG1 ILE 35 HG11 ILE 35 2.279 11.445 -5.594 48 1HG2 ILE 35 HG21 ILE 35 4.902 9.741 -3.215 49 2HG2 ILE 35 HG22 ILE 35 4.774 9.042 -4.829 50 3HG2 ILE 35 HG23 ILE 35 3.977 8.261 -3.465 51 1HD1 ILE 35 HD11 ILE 35 5.008 11.373 -4.926 52 2HD1 ILE 35 HD12 ILE 35 4.189 12.450 -6.057 53 3HD1 ILE 35 HD13 ILE 35 4.884 10.933 -6.630 54 H ALA 36 HN ALA 36 1.695 6.636 -3.569 55 HA ALA 36 HA ALA 36 1.317 7.036 -0.695 56 1HB ALA 36 HB1 ALA 36 -0.415 5.722 -1.333 57 2HB ALA 36 HB2 ALA 36 0.773 4.476 -0.949 58 3HB ALA 36 HB3 ALA 36 0.498 4.946 -2.627 59 H ILE 37 HN ILE 37 3.296 7.055 0.313 60 HA ILE 37 HA ILE 37 5.436 5.320 -0.539 61 HB ILE 37 HB ILE 37 6.383 7.204 0.373 62 1HG1 ILE 37 HG12 ILE 37 6.454 4.932 2.171 63 2HG1 ILE 37 HG11 ILE 37 7.745 6.016 1.694 64 1HG2 ILE 37 HG21 ILE 37 5.579 8.373 2.399 65 2HG2 ILE 37 HG22 ILE 37 4.229 7.247 2.452 66 3HG2 ILE 37 HG23 ILE 37 4.419 8.329 1.074 67 1HD1 ILE 37 HD11 ILE 37 7.692 7.086 3.640 68 2HD1 ILE 37 HD12 ILE 37 6.721 5.731 4.212 69 3HD1 ILE 37 HD13 ILE 37 5.934 7.199 3.643 70 H ILE 38 HN ILE 38 4.399 3.366 -0.465 71 HA ILE 38 HA ILE 38 3.271 2.407 2.010 72 HB ILE 38 HB ILE 38 2.881 0.324 0.596 73 1HG1 ILE 38 HG12 ILE 38 3.282 2.136 -1.750 74 2HG1 ILE 38 HG11 ILE 38 4.660 1.247 -1.109 75 1HG2 ILE 38 HG21 ILE 38 1.022 1.633 1.031 76 2HG2 ILE 38 HG22 ILE 38 1.072 1.607 -0.732 77 3HG2 ILE 38 HG23 ILE 38 1.666 3.016 0.147 78 1HD1 ILE 38 HD11 ILE 38 3.032 -0.793 -1.315 79 2HD1 ILE 38 HD12 ILE 38 3.924 -0.194 -2.713 80 3HD1 ILE 38 HD13 ILE 38 2.230 0.247 -2.492 81 H ASP 39 HN ASP 39 4.390 1.397 3.517 82 HA ASP 39 HA ASP 39 6.918 0.032 2.918 83 1HB ASP 39 HB2 ASP 39 5.765 1.321 5.231 84 2HB ASP 39 HB1 ASP 39 6.103 -0.359 5.631 85 H PHE 40 HN PHE 40 5.728 -1.408 1.557 86 HA PHE 40 HA PHE 40 4.019 -3.314 2.952 87 1HB PHE 40 HB2 PHE 40 3.101 -3.940 0.893 88 2HB PHE 40 HB1 PHE 40 3.389 -2.217 0.724 89 HD1 PHE 40 HD1 PHE 40 4.887 -1.361 -0.893 90 HD2 PHE 40 HD2 PHE 40 4.581 -5.557 -0.254 91 HE1 PHE 40 HE1 PHE 40 6.131 -1.764 -2.976 92 HE2 PHE 40 HE2 PHE 40 5.834 -5.967 -2.333 93 HZ PHE 40 HZ PHE 40 6.608 -4.069 -3.697 94 H THR 41 HN THR 41 4.787 -5.100 3.745 95 HA THR 41 HA THR 41 7.317 -6.174 2.779 96 HB THR 41 HB THR 41 5.878 -7.458 5.030 97 HG1 THR 41 HG1 THR 41 7.110 -4.924 5.322 98 1HG2 THR 41 HG21 THR 41 7.913 -8.030 5.745 99 2HG2 THR 41 HG22 THR 41 8.598 -6.445 5.386 100 3HG2 THR 41 HG23 THR 41 8.414 -7.638 4.100 101 H GLY 42 HN GLY 42 7.309 -7.733 1.287 102 1HA GLY 42 HA2 GLY 42 4.989 -9.180 0.488 103 2HA GLY 42 HA1 GLY 42 6.642 -9.460 -0.044 104 H ILE 43 HN ILE 43 4.318 -10.160 2.517 105 HA ILE 43 HA ILE 43 5.994 -12.296 3.553 106 HB ILE 43 HB ILE 43 3.220 -12.211 4.471 107 1HG1 ILE 43 HG12 ILE 43 4.817 -9.748 4.381 108 2HG1 ILE 43 HG11 ILE 43 3.083 -9.960 4.609 109 1HG2 ILE 43 HG21 ILE 43 4.791 -13.613 5.571 110 2HG2 ILE 43 HG22 ILE 43 4.372 -12.314 6.683 111 3HG2 ILE 43 HG23 ILE 43 5.908 -12.270 5.816 112 1HD1 ILE 43 HD11 ILE 43 5.185 -10.305 6.733 113 2HD1 ILE 43 HD12 ILE 43 3.440 -10.432 6.956 114 3HD1 ILE 43 HD13 ILE 43 4.163 -8.883 6.520 115 H VAL 44 HN VAL 44 5.961 -14.272 2.735 116 HA VAL 44 HA VAL 44 3.737 -15.080 1.030 117 HB VAL 44 HB VAL 44 5.982 -15.374 0.134 118 1HG1 VAL 44 HG11 VAL 44 6.702 -16.091 2.680 119 2HG1 VAL 44 HG12 VAL 44 7.701 -16.283 1.240 120 3HG1 VAL 44 HG13 VAL 44 6.729 -17.633 1.825 121 1HG2 VAL 44 HG21 VAL 44 4.669 -18.021 0.743 122 2HG2 VAL 44 HG22 VAL 44 5.783 -17.687 -0.583 123 3HG2 VAL 44 HG23 VAL 44 4.198 -16.915 -0.547 124 H ASP 45 HN ASP 45 2.325 -15.283 2.966 125 HA ASP 45 HA ASP 45 1.223 -16.507 4.545 126 1HB ASP 45 HB2 ASP 45 2.467 -18.715 2.905 127 2HB ASP 45 HB1 ASP 45 1.281 -19.002 4.175 128 H ASN 46 HN ASN 46 2.688 -15.625 6.194 129 HA ASN 46 HA ASN 46 3.682 -16.070 8.232 130 1HB ASN 46 HB2 ASN 46 4.604 -18.749 7.237 131 2HB ASN 46 HB1 ASN 46 4.408 -18.210 8.900 132 1HD2 ASN 46 HD21 ASN 46 3.297 -20.527 7.454 133 2HD2 ASN 46 HD22 ASN 46 1.584 -20.419 7.659 134 H LYS 47 HN LYS 47 5.370 -17.204 5.342 135 HA LYS 47 HA LYS 47 7.875 -16.364 6.490 136 1HB LYS 47 HB2 LYS 47 7.089 -17.686 3.908 137 2HB LYS 47 HB1 LYS 47 8.706 -17.025 4.116 138 1HG LYS 47 HG2 LYS 47 7.659 -18.866 6.200 139 2HG LYS 47 HG1 LYS 47 8.162 -19.543 4.649 140 1HD LYS 47 HD2 LYS 47 10.350 -19.134 5.035 141 2HD LYS 47 HD1 LYS 47 10.026 -17.607 5.858 142 1HE LYS 47 HE2 LYS 47 10.984 -19.253 7.387 143 2HE LYS 47 HE1 LYS 47 9.342 -18.819 7.859 144 1HZ LYS 47 HZ1 LYS 47 9.098 -21.035 7.973 145 2HZ LYS 47 HZ2 LYS 47 10.392 -21.357 6.932 146 3HZ LYS 47 HZ3 LYS 47 8.883 -20.931 6.298 147 H LYS 48 HN LYS 48 9.289 -14.845 5.387 148 HA LYS 48 HA LYS 48 7.742 -12.726 4.040 149 1HB LYS 48 HB2 LYS 48 9.318 -11.106 4.977 150 2HB LYS 48 HB1 LYS 48 8.556 -12.044 6.254 151 1HG LYS 48 HG2 LYS 48 10.515 -13.317 6.618 152 2HG LYS 48 HG1 LYS 48 11.266 -12.709 5.142 153 1HD LYS 48 HD2 LYS 48 10.459 -10.815 7.313 154 2HD LYS 48 HD1 LYS 48 11.970 -11.719 7.439 155 1HE LYS 48 HE2 LYS 48 12.829 -10.743 5.465 156 2HE LYS 48 HE1 LYS 48 11.252 -10.099 5.010 157 1HZ LYS 48 HZ1 LYS 48 12.963 -9.202 7.262 158 2HZ LYS 48 HZ2 LYS 48 11.377 -8.669 7.013 159 3HZ LYS 48 HZ3 LYS 48 12.573 -8.330 5.866 160 H LEU 49 HN LEU 49 8.375 -12.056 2.095 161 HA LEU 49 HA LEU 49 10.614 -13.414 0.835 162 1HB LEU 49 HB2 LEU 49 8.091 -12.490 -0.015 163 2HB LEU 49 HB1 LEU 49 9.275 -11.529 -0.879 164 HG LEU 49 HG LEU 49 10.346 -13.904 -1.356 165 1HD1 LEU 49 HD11 LEU 49 8.240 -14.753 0.090 166 2HD1 LEU 49 HD12 LEU 49 9.015 -15.712 -1.172 167 3HD1 LEU 49 HD13 LEU 49 7.547 -14.802 -1.531 168 1HD2 LEU 49 HD21 LEU 49 7.959 -13.471 -3.016 169 2HD2 LEU 49 HD22 LEU 49 9.660 -13.557 -3.471 170 3HD2 LEU 49 HD23 LEU 49 8.998 -12.060 -2.813 171 H ALA 50 HN ALA 50 11.790 -11.974 -0.872 172 HA ALA 50 HA ALA 50 12.763 -9.581 0.543 173 1HB ALA 50 HB1 ALA 50 14.231 -11.319 -1.440 174 2HB ALA 50 HB2 ALA 50 14.432 -11.361 0.312 175 3HB ALA 50 HB3 ALA 50 14.891 -9.919 -0.594 176 H SER 51 HN SER 51 11.543 -10.847 -2.464 177 HA SER 51 HA SER 51 12.135 -8.518 -4.025 178 1HB SER 51 HB2 SER 51 10.249 -10.818 -4.557 179 2HB SER 51 HB1 SER 51 10.693 -9.581 -5.732 180 HG SER 51 HG SER 51 12.461 -11.410 -4.469 181 H ALA 52 HN ALA 52 9.181 -9.829 -2.559 182 HA ALA 52 HA ALA 52 7.757 -7.457 -3.322 183 1HB ALA 52 HB1 ALA 52 5.988 -8.674 -1.728 184 2HB ALA 52 HB2 ALA 52 7.030 -10.048 -2.103 185 3HB ALA 52 HB3 ALA 52 6.256 -9.148 -3.407 186 H SER 53 HN SER 53 10.019 -7.717 -1.102 187 HA SER 53 HA SER 53 8.602 -6.576 1.167 188 1HB SER 53 HB2 SER 53 10.673 -6.817 2.371 189 2HB SER 53 HB1 SER 53 10.389 -8.303 1.466 190 HG SER 53 HG SER 53 12.533 -7.617 1.219 191 H ALA 54 HN ALA 54 7.989 -4.523 0.477 192 HA ALA 54 HA ALA 54 10.210 -2.671 -0.061 193 1HB ALA 54 HB1 ALA 54 9.056 -1.573 -1.636 194 2HB ALA 54 HB2 ALA 54 7.507 -1.832 -0.835 195 3HB ALA 54 HB3 ALA 54 8.232 -3.126 -1.792 196 H GLN 55 HN GLN 55 10.540 -1.050 1.174 197 HA GLN 55 HA GLN 55 8.826 -0.660 3.482 198 1HB GLN 55 HB2 GLN 55 11.548 0.441 2.797 199 2HB GLN 55 HB1 GLN 55 10.694 0.750 4.303 200 1HG GLN 55 HG2 GLN 55 12.285 -0.951 4.721 201 2HG GLN 55 HG1 GLN 55 10.691 -1.702 4.726 202 1HE2 GLN 55 HE21 GLN 55 11.761 -3.705 4.369 203 2HE2 GLN 55 HE22 GLN 55 12.294 -4.146 2.785 204 H ASN 56 HN ASN 56 10.173 2.112 3.377 205 HA ASN 56 HA ASN 56 7.905 3.596 2.617 206 1HB ASN 56 HB2 ASN 56 10.779 4.515 2.909 207 2HB ASN 56 HB1 ASN 56 9.387 5.585 2.774 208 1HD2 ASN 56 HD21 ASN 56 11.011 3.235 4.781 209 2HD2 ASN 56 HD22 ASN 56 10.231 3.671 6.260 210 H TYR 57 HN TYR 57 7.583 2.457 0.535 211 HA TYR 57 HA TYR 57 9.344 3.346 -1.625 212 1HB TYR 57 HB2 TYR 57 8.591 0.935 -1.408 213 2HB TYR 57 HB1 TYR 57 6.973 1.485 -1.825 214 HD1 TYR 57 HD1 TYR 57 6.909 2.985 -4.050 215 HD2 TYR 57 HD2 TYR 57 9.899 0.108 -3.109 216 HE1 TYR 57 HE1 TYR 57 7.454 2.780 -6.438 217 HE2 TYR 57 HE2 TYR 57 10.453 -0.105 -5.495 218 HH TYR 57 HH TYR 57 9.088 0.319 -7.747 219 H GLU 58 HN GLU 58 8.876 5.383 -2.195 220 HA GLU 58 HA GLU 58 6.343 6.578 -2.082 221 1HB GLU 58 HB2 GLU 58 8.427 7.416 -4.080 222 2HB GLU 58 HB1 GLU 58 7.284 8.417 -3.195 223 1HG GLU 58 HG2 GLU 58 9.038 8.913 -1.912 224 2HG GLU 58 HG1 GLU 58 8.723 7.348 -1.162 225 H LEU 59 HN LEU 59 4.850 5.198 -2.973 226 HA LEU 59 HA LEU 59 5.061 4.546 -5.811 227 1HB LEU 59 HB2 LEU 59 4.393 2.740 -4.341 228 2HB LEU 59 HB1 LEU 59 3.090 3.705 -3.683 229 HG LEU 59 HG LEU 59 1.789 3.498 -5.665 230 1HD1 LEU 59 HD11 LEU 59 2.643 3.307 -7.717 231 2HD1 LEU 59 HD12 LEU 59 3.497 1.827 -7.287 232 3HD1 LEU 59 HD13 LEU 59 4.249 3.390 -6.997 233 1HD2 LEU 59 HD21 LEU 59 3.143 0.931 -4.924 234 2HD2 LEU 59 HD22 LEU 59 1.780 1.015 -6.039 235 3HD2 LEU 59 HD23 LEU 59 1.589 1.556 -4.371 236 H THR 60 HN THR 60 3.335 5.076 -7.275 237 HA THR 60 HA THR 60 1.891 7.519 -6.480 238 HB THR 60 HB THR 60 1.928 6.910 -9.351 239 HG1 THR 60 HG1 THR 60 3.975 6.624 -9.627 240 1HG2 THR 60 HG21 THR 60 1.649 9.157 -7.848 241 2HG2 THR 60 HG22 THR 60 2.004 9.125 -9.575 242 3HG2 THR 60 HG23 THR 60 3.315 9.301 -8.409 243 H ILE 61 HN ILE 61 -0.202 6.985 -5.933 244 HA ILE 61 HA ILE 61 -1.385 4.621 -7.085 245 HB ILE 61 HB ILE 61 -3.400 5.443 -5.665 246 1HG1 ILE 61 HG12 ILE 61 -1.130 7.010 -4.410 247 2HG1 ILE 61 HG11 ILE 61 -2.527 7.708 -5.222 248 1HG2 ILE 61 HG21 ILE 61 -1.799 4.655 -3.587 249 2HG2 ILE 61 HG22 ILE 61 -0.925 4.054 -4.998 250 3HG2 ILE 61 HG23 ILE 61 -2.600 3.577 -4.732 251 1HD1 ILE 61 HD11 ILE 61 -2.747 5.958 -2.793 252 2HD1 ILE 61 HD12 ILE 61 -3.982 6.994 -3.505 253 3HD1 ILE 61 HD13 ILE 61 -2.580 7.711 -2.714 254 H GLY 62 HN GLY 62 -1.945 4.874 -9.114 255 1HA GLY 62 HA2 GLY 62 -4.050 5.668 -10.307 256 2HA GLY 62 HA1 GLY 62 -3.469 7.274 -9.875 257 H SER 63 HN SER 63 -0.971 5.066 -10.542 258 HA SER 63 HA SER 63 -0.534 6.338 -13.143 259 1HB SER 63 HB2 SER 63 1.372 5.055 -11.186 260 2HB SER 63 HB1 SER 63 1.844 5.532 -12.817 261 HG SER 63 HG SER 63 0.668 7.313 -10.955 262 H ASN 64 HN ASN 64 -2.045 3.715 -12.207 263 HA ASN 64 HA ASN 64 -2.332 1.574 -12.919 264 1HB ASN 64 HB2 ASN 64 -2.522 1.368 -15.351 265 2HB ASN 64 HB1 ASN 64 -3.235 2.875 -14.785 266 1HD2 ASN 64 HD21 ASN 64 -0.315 1.494 -16.198 267 2HD2 ASN 64 HD22 ASN 64 0.156 2.915 -17.059 268 H SER 65 HN SER 65 0.432 2.164 -12.068 269 HA SER 65 HA SER 65 1.996 0.477 -13.870 270 1HB SER 65 HB2 SER 65 2.781 2.723 -12.731 271 2HB SER 65 HB1 SER 65 3.135 1.661 -11.368 272 HG SER 65 HG SER 65 4.953 1.510 -12.484 273 H PHE 66 HN PHE 66 0.372 0.338 -10.825 274 HA PHE 66 HA PHE 66 1.766 -2.124 -10.084 275 1HB PHE 66 HB2 PHE 66 0.506 -0.016 -8.619 276 2HB PHE 66 HB1 PHE 66 -0.311 -1.528 -8.236 277 HD1 PHE 66 HD1 PHE 66 2.905 0.244 -8.174 278 HD2 PHE 66 HD2 PHE 66 0.770 -3.234 -6.974 279 HE1 PHE 66 HE1 PHE 66 4.734 -0.343 -6.635 280 HE2 PHE 66 HE2 PHE 66 2.596 -3.828 -5.435 281 HZ PHE 66 HZ PHE 66 4.581 -2.382 -5.264 282 H ILE 67 HN ILE 67 0.219 -3.835 -9.071 283 HA ILE 67 HA ILE 67 -1.519 -4.696 -11.184 284 HB ILE 67 HB ILE 67 -1.876 -6.703 -9.861 285 1HG1 ILE 67 HG12 ILE 67 -0.306 -5.287 -7.693 286 2HG1 ILE 67 HG11 ILE 67 -2.027 -5.655 -7.639 287 1HG2 ILE 67 HG21 ILE 67 0.691 -7.161 -9.390 288 2HG2 ILE 67 HG22 ILE 67 0.867 -5.648 -10.279 289 3HG2 ILE 67 HG23 ILE 67 0.054 -7.022 -11.028 290 1HD1 ILE 67 HD11 ILE 67 -0.293 -7.968 -8.125 291 2HD1 ILE 67 HD12 ILE 67 -1.675 -7.784 -7.044 292 3HD1 ILE 67 HD13 ILE 67 -0.087 -7.192 -6.554 293 H LYS 68 HN LYS 68 -3.749 -5.505 -10.704 294 HA LYS 68 HA LYS 68 -5.287 -3.376 -9.542 295 1HB LYS 68 HB2 LYS 68 -6.072 -6.009 -10.795 296 2HB LYS 68 HB1 LYS 68 -7.239 -4.842 -10.189 297 1HG LYS 68 HG2 LYS 68 -6.919 -3.413 -11.916 298 2HG LYS 68 HG1 LYS 68 -5.217 -3.841 -12.100 299 1HD LYS 68 HD2 LYS 68 -7.056 -6.034 -12.703 300 2HD LYS 68 HD1 LYS 68 -7.250 -4.635 -13.760 301 1HE LYS 68 HE2 LYS 68 -5.627 -6.324 -14.602 302 2HE LYS 68 HE1 LYS 68 -4.944 -4.712 -14.396 303 1HZ LYS 68 HZ1 LYS 68 -3.744 -6.868 -13.500 304 2HZ LYS 68 HZ2 LYS 68 -4.714 -6.562 -12.148 305 3HZ LYS 68 HZ3 LYS 68 -3.630 -5.384 -12.695 306 H GLY 69 HN GLY 69 -5.629 -3.209 -7.416 307 1HA GLY 69 HA2 GLY 69 -6.927 -4.254 -5.580 308 2HA GLY 69 HA1 GLY 69 -5.988 -5.709 -5.881 309 H PHE 70 HN PHE 70 -3.584 -3.905 -6.365 310 HA PHE 70 HA PHE 70 -2.677 -3.930 -3.630 311 1HB PHE 70 HB2 PHE 70 -1.343 -4.613 -5.724 312 2HB PHE 70 HB1 PHE 70 -1.109 -2.890 -5.982 313 HD1 PHE 70 HD1 PHE 70 -0.450 -1.684 -3.586 314 HD2 PHE 70 HD2 PHE 70 0.450 -5.661 -4.798 315 HE1 PHE 70 HE1 PHE 70 1.457 -1.719 -2.040 316 HE2 PHE 70 HE2 PHE 70 2.364 -5.699 -3.253 317 HZ PHE 70 HZ PHE 70 2.864 -3.729 -1.874 318 H GLU 71 HN GLU 71 -1.952 -1.371 -5.982 319 HA GLU 71 HA GLU 71 -1.642 0.722 -4.259 320 1HB GLU 71 HB2 GLU 71 -2.371 2.192 -6.165 321 2HB GLU 71 HB1 GLU 71 -1.131 1.013 -6.568 322 1HG GLU 71 HG2 GLU 71 -2.858 -0.439 -7.543 323 2HG GLU 71 HG1 GLU 71 -4.068 0.793 -7.186 324 H THR 72 HN THR 72 -4.662 -0.607 -5.504 325 HA THR 72 HA THR 72 -6.382 1.438 -4.601 326 HB THR 72 HB THR 72 -7.145 -1.452 -4.969 327 HG1 THR 72 HG1 THR 72 -6.598 0.534 -6.901 328 1HG2 THR 72 HG21 THR 72 -8.937 -0.035 -4.157 329 2HG2 THR 72 HG22 THR 72 -9.234 -0.535 -5.822 330 3HG2 THR 72 HG23 THR 72 -8.658 1.097 -5.481 331 H GLY 73 HN GLY 73 -5.269 -1.560 -3.072 332 1HA GLY 73 HA2 GLY 73 -7.051 -1.474 -0.879 333 2HA GLY 73 HA1 GLY 73 -5.529 -2.348 -0.924 334 H LEU 74 HN LEU 74 -4.109 0.244 -1.518 335 HA LEU 74 HA LEU 74 -3.816 1.029 1.279 336 1HB LEU 74 HB2 LEU 74 -2.200 1.649 -1.191 337 2HB LEU 74 HB1 LEU 74 -1.854 2.337 0.386 338 HG LEU 74 HG LEU 74 -0.381 0.498 0.072 339 1HD1 LEU 74 HD11 LEU 74 -1.795 -1.181 1.764 340 2HD1 LEU 74 HD12 LEU 74 -2.446 0.419 2.102 341 3HD1 LEU 74 HD13 LEU 74 -0.718 0.129 2.244 342 1HD2 LEU 74 HD21 LEU 74 -2.656 -1.405 -0.304 343 2HD2 LEU 74 HD22 LEU 74 -0.951 -1.607 -0.707 344 3HD2 LEU 74 HD23 LEU 74 -1.966 -0.543 -1.679 345 H ILE 75 HN ILE 75 -4.905 2.367 -1.774 346 HA ILE 75 HA ILE 75 -4.956 5.085 -0.958 347 HB ILE 75 HB ILE 75 -6.257 5.550 -2.916 348 1HG1 ILE 75 HG12 ILE 75 -6.691 2.572 -3.143 349 2HG1 ILE 75 HG11 ILE 75 -7.915 3.753 -2.701 350 1HG2 ILE 75 HG21 ILE 75 -4.793 3.530 -4.297 351 2HG2 ILE 75 HG22 ILE 75 -3.824 4.163 -2.966 352 3HG2 ILE 75 HG23 ILE 75 -4.482 5.257 -4.182 353 1HD1 ILE 75 HD11 ILE 75 -7.766 2.846 -5.134 354 2HD1 ILE 75 HD12 ILE 75 -6.480 4.042 -5.292 355 3HD1 ILE 75 HD13 ILE 75 -8.107 4.550 -4.840 356 H ALA 76 HN ALA 76 -7.341 2.526 -0.829 357 HA ALA 76 HA ALA 76 -9.575 4.114 -0.223 358 1HB ALA 76 HB1 ALA 76 -9.369 1.284 0.709 359 2HB ALA 76 HB2 ALA 76 -9.416 1.651 -1.016 360 3HB ALA 76 HB3 ALA 76 -10.748 2.148 0.028 361 H MET 77 HN MET 77 -6.960 3.063 1.813 362 HA MET 77 HA MET 77 -8.578 3.783 4.173 363 1HB MET 77 HB2 MET 77 -6.884 1.595 3.767 364 2HB MET 77 HB1 MET 77 -5.984 2.669 4.828 365 1HG MET 77 HG2 MET 77 -7.327 2.288 6.572 366 2HG MET 77 HG1 MET 77 -8.785 2.306 5.582 367 1HE MET 77 HE1 MET 77 -8.487 0.555 8.018 368 2HE MET 77 HE2 MET 77 -8.805 -1.120 7.567 369 3HE MET 77 HE3 MET 77 -9.887 0.161 7.020 370 H LYS 78 HN LYS 78 -6.958 4.595 6.025 371 HA LYS 78 HA LYS 78 -6.101 7.174 5.093 372 1HB LYS 78 HB2 LYS 78 -5.669 6.076 7.864 373 2HB LYS 78 HB1 LYS 78 -5.857 7.753 7.374 374 1HG LYS 78 HG2 LYS 78 -7.963 7.538 8.057 375 2HG LYS 78 HG1 LYS 78 -8.222 6.639 6.561 376 1HD LYS 78 HD2 LYS 78 -8.050 4.570 7.640 377 2HD LYS 78 HD1 LYS 78 -7.258 5.272 9.053 378 1HE LYS 78 HE2 LYS 78 -10.110 5.826 8.246 379 2HE LYS 78 HE1 LYS 78 -9.631 4.614 9.434 380 1HZ LYS 78 HZ1 LYS 78 -10.248 6.602 10.571 381 2HZ LYS 78 HZ2 LYS 78 -9.218 7.547 9.619 382 3HZ LYS 78 HZ3 LYS 78 -8.571 6.430 10.711 383 H VAL 79 HN VAL 79 -3.903 7.710 6.794 384 HA VAL 79 HA VAL 79 -1.828 6.133 5.446 385 HB VAL 79 HB VAL 79 -1.713 8.878 6.729 386 1HG1 VAL 79 HG11 VAL 79 0.390 7.230 5.364 387 2HG1 VAL 79 HG12 VAL 79 0.429 7.914 6.987 388 3HG1 VAL 79 HG13 VAL 79 0.531 8.973 5.580 389 1HG2 VAL 79 HG21 VAL 79 -1.374 9.662 4.404 390 2HG2 VAL 79 HG22 VAL 79 -2.960 8.939 4.671 391 3HG2 VAL 79 HG23 VAL 79 -1.703 8.024 3.838 392 H ASN 80 HN ASN 80 0.166 5.766 6.756 393 HA ASN 80 HA ASN 80 1.232 4.906 8.571 394 1HB ASN 80 HB2 ASN 80 0.722 7.165 9.530 395 2HB ASN 80 HB1 ASN 80 -0.753 6.489 10.215 396 1HD2 ASN 80 HD21 ASN 80 2.600 5.353 9.975 397 2HD2 ASN 80 HD22 ASN 80 2.795 5.045 11.664 398 H GLN 81 HN GLN 81 -1.337 3.758 7.405 399 HA GLN 81 HA GLN 81 -2.254 2.197 9.722 400 1HB GLN 81 HB2 GLN 81 -3.492 3.113 7.235 401 2HB GLN 81 HB1 GLN 81 -3.814 1.420 7.583 402 1HG GLN 81 HG2 GLN 81 -4.358 3.740 9.422 403 2HG GLN 81 HG1 GLN 81 -5.555 2.856 8.478 404 1HE2 GLN 81 HE21 GLN 81 -6.240 2.876 10.922 405 2HE2 GLN 81 HE22 GLN 81 -5.835 1.434 11.783 406 H LYS 82 HN LYS 82 -1.881 0.066 9.926 407 HA LYS 82 HA LYS 82 -0.053 -1.166 8.032 408 1HB LYS 82 HB2 LYS 82 -0.469 -1.348 10.819 409 2HB LYS 82 HB1 LYS 82 -0.862 -2.929 10.159 410 1HG LYS 82 HG2 LYS 82 1.274 -3.415 9.773 411 2HG LYS 82 HG1 LYS 82 1.590 -1.838 9.047 412 1HD LYS 82 HD2 LYS 82 2.657 -1.190 10.887 413 2HD LYS 82 HD1 LYS 82 1.207 -1.481 11.849 414 1HE LYS 82 HE2 LYS 82 3.001 -2.772 12.773 415 2HE LYS 82 HE1 LYS 82 1.863 -3.875 12.001 416 1HZ LYS 82 HZ1 LYS 82 3.324 -3.981 10.080 417 2HZ LYS 82 HZ2 LYS 82 4.148 -4.452 11.480 418 3HZ LYS 82 HZ3 LYS 82 4.414 -2.919 10.818 419 H LYS 83 HN LYS 83 -1.254 -1.659 6.238 420 HA LYS 83 HA LYS 83 -3.655 -3.285 6.580 421 1HB LYS 83 HB2 LYS 83 -2.671 -1.430 4.562 422 2HB LYS 83 HB1 LYS 83 -3.280 -2.920 3.856 423 1HG LYS 83 HG2 LYS 83 -5.084 -1.973 5.880 424 2HG LYS 83 HG1 LYS 83 -4.752 -0.700 4.703 425 1HD LYS 83 HD2 LYS 83 -6.463 -1.736 3.617 426 2HD LYS 83 HD1 LYS 83 -5.130 -2.720 3.010 427 1HE LYS 83 HE2 LYS 83 -6.551 -4.372 3.693 428 2HE LYS 83 HE1 LYS 83 -5.637 -4.128 5.181 429 1HZ LYS 83 HZ1 LYS 83 -8.289 -4.115 5.074 430 2HZ LYS 83 HZ2 LYS 83 -7.996 -2.464 4.847 431 3HZ LYS 83 HZ3 LYS 83 -7.407 -3.245 6.227 432 H THR 84 HN THR 84 -2.723 -5.265 7.191 433 HA THR 84 HA THR 84 -0.791 -6.532 5.443 434 HB THR 84 HB THR 84 -2.243 -7.838 7.738 435 HG1 THR 84 HG1 THR 84 0.056 -6.183 7.844 436 1HG2 THR 84 HG21 THR 84 -0.662 -9.426 7.727 437 2HG2 THR 84 HG22 THR 84 0.617 -8.302 7.266 438 3HG2 THR 84 HG23 THR 84 -0.479 -8.942 6.041 439 H LEU 85 HN LEU 85 -2.341 -6.331 3.603 440 HA LEU 85 HA LEU 85 -4.546 -8.225 3.606 441 1HB LEU 85 HB2 LEU 85 -4.849 -6.005 2.622 442 2HB LEU 85 HB1 LEU 85 -3.559 -6.326 1.480 443 HG LEU 85 HG LEU 85 -5.873 -8.196 1.505 444 1HD1 LEU 85 HD11 LEU 85 -7.335 -6.802 0.384 445 2HD1 LEU 85 HD12 LEU 85 -6.069 -5.658 -0.062 446 3HD1 LEU 85 HD13 LEU 85 -6.655 -5.721 1.600 447 1HD2 LEU 85 HD21 LEU 85 -5.132 -8.745 -0.547 448 2HD2 LEU 85 HD22 LEU 85 -3.633 -7.991 -0.004 449 3HD2 LEU 85 HD23 LEU 85 -4.778 -7.073 -0.981 450 H ALA 86 HN ALA 86 -4.625 -10.108 2.472 451 HA ALA 86 HA ALA 86 -2.104 -11.158 1.479 452 1HB ALA 86 HB1 ALA 86 -3.322 -13.298 1.325 453 2HB ALA 86 HB2 ALA 86 -4.797 -12.473 1.830 454 3HB ALA 86 HB3 ALA 86 -3.424 -12.579 2.932 455 H LEU 87 HN LEU 87 -1.877 -9.896 -0.416 456 HA LEU 87 HA LEU 87 -3.917 -10.068 -2.464 457 1HB LEU 87 HB2 LEU 87 -2.393 -8.045 -1.852 458 2HB LEU 87 HB1 LEU 87 -1.228 -8.849 -2.886 459 HG LEU 87 HG LEU 87 -2.720 -8.695 -4.783 460 1HD1 LEU 87 HD11 LEU 87 -4.683 -8.055 -2.701 461 2HD1 LEU 87 HD12 LEU 87 -4.901 -8.815 -4.277 462 3HD1 LEU 87 HD13 LEU 87 -4.790 -7.060 -4.153 463 1HD2 LEU 87 HD21 LEU 87 -1.375 -6.625 -3.678 464 2HD2 LEU 87 HD22 LEU 87 -3.001 -5.948 -3.775 465 3HD2 LEU 87 HD23 LEU 87 -2.208 -6.551 -5.231 466 H THR 88 HN THR 88 -3.633 -10.913 -4.530 467 HA THR 88 HA THR 88 -1.803 -13.180 -4.659 468 HB THR 88 HB THR 88 -3.701 -12.438 -6.858 469 HG1 THR 88 HG1 THR 88 -5.031 -12.287 -5.107 470 1HG2 THR 88 HG21 THR 88 -2.518 -14.955 -5.797 471 2HG2 THR 88 HG22 THR 88 -2.632 -14.373 -7.458 472 3HG2 THR 88 HG23 THR 88 -4.064 -15.003 -6.644 473 H PHE 89 HN PHE 89 -0.878 -13.528 -6.986 474 HA PHE 89 HA PHE 89 0.276 -10.971 -7.884 475 1HB PHE 89 HB2 PHE 89 1.556 -13.530 -7.151 476 2HB PHE 89 HB1 PHE 89 2.168 -12.769 -8.604 477 HD1 PHE 89 HD1 PHE 89 2.800 -13.109 -5.283 478 HD2 PHE 89 HD2 PHE 89 2.393 -10.053 -8.216 479 HE1 PHE 89 HE1 PHE 89 4.206 -11.621 -3.920 480 HE2 PHE 89 HE2 PHE 89 3.797 -8.558 -6.857 481 HZ PHE 89 HZ PHE 89 4.708 -9.343 -4.708 482 HA PRO 90 HA PRO 90 -1.653 -12.468 -11.672 483 1HB PRO 90 HB2 PRO 90 -1.691 -10.137 -12.976 484 2HB PRO 90 HB1 PRO 90 -2.771 -10.438 -11.608 485 1HG PRO 90 HG2 PRO 90 -0.186 -8.922 -11.681 486 2HG PRO 90 HG1 PRO 90 -1.714 -8.488 -10.891 487 1HD PRO 90 HD2 PRO 90 0.411 -9.620 -9.582 488 2HD PRO 90 HD1 PRO 90 -1.276 -9.793 -9.058 489 H SER 91 HN SER 91 -1.066 -12.624 -13.920 490 HA SER 91 HA SER 91 1.625 -13.237 -14.371 491 1HB SER 91 HB2 SER 91 0.990 -13.455 -16.742 492 2HB SER 91 HB1 SER 91 -0.196 -14.221 -15.686 493 HG SER 91 HG SER 91 -0.393 -11.740 -17.032 494 H ASP 92 HN ASP 92 -0.208 -10.317 -14.911 495 HA ASP 92 HA ASP 92 1.292 -8.875 -16.657 496 1HB ASP 92 HB2 ASP 92 -0.767 -8.279 -15.000 497 2HB ASP 92 HB1 ASP 92 0.528 -7.357 -14.241 498 H TYR 93 HN TYR 93 2.173 -9.702 -13.369 499 HA TYR 93 HA TYR 93 4.165 -7.850 -12.872 500 1HB TYR 93 HB2 TYR 93 3.250 -10.171 -11.636 501 2HB TYR 93 HB1 TYR 93 4.960 -10.474 -11.939 502 HD1 TYR 93 HD1 TYR 93 2.615 -8.026 -10.417 503 HD2 TYR 93 HD2 TYR 93 6.603 -9.498 -10.576 504 HE1 TYR 93 HE1 TYR 93 3.201 -6.628 -8.482 505 HE2 TYR 93 HE2 TYR 93 7.200 -8.107 -8.638 506 HH TYR 93 HH TYR 93 6.277 -5.901 -7.602 507 H HIS 94 HN HIS 94 6.331 -7.697 -13.264 508 HA HIS 94 HA HIS 94 7.258 -8.572 -15.763 509 1HB HIS 94 HB2 HIS 94 9.491 -7.719 -14.930 510 2HB HIS 94 HB1 HIS 94 8.164 -6.564 -14.874 511 HD1 HIS 94 HD1 HIS 94 9.646 -9.108 -12.448 512 HD2 HIS 94 HD2 HIS 94 8.159 -5.228 -12.535 513 HE1 HIS 94 HE1 HIS 94 9.880 -8.245 -10.097 514 HE2 HIS 94 HE2 HIS 94 9.045 -5.869 -10.192 515 H VAL 95 HN VAL 95 7.353 -10.096 -12.656 516 HA VAL 95 HA VAL 95 9.410 -11.966 -13.560 517 HB VAL 95 HB VAL 95 9.667 -11.023 -11.309 518 1HG1 VAL 95 HG11 VAL 95 6.921 -11.568 -11.139 519 2HG1 VAL 95 HG12 VAL 95 7.967 -10.855 -9.913 520 3HG1 VAL 95 HG13 VAL 95 7.715 -12.602 -9.949 521 1HG2 VAL 95 HG21 VAL 95 10.609 -12.922 -10.544 522 2HG2 VAL 95 HG22 VAL 95 10.120 -13.570 -12.110 523 3HG2 VAL 95 HG23 VAL 95 9.113 -13.845 -10.688 524 H LYS 96 HN LYS 96 9.015 -13.961 -14.099 525 HA LYS 96 HA LYS 96 6.494 -14.879 -14.847 526 1HB LYS 96 HB2 LYS 96 9.120 -15.820 -15.044 527 2HB LYS 96 HB1 LYS 96 8.246 -17.094 -14.205 528 1HG LYS 96 HG2 LYS 96 6.514 -16.518 -16.206 529 2HG LYS 96 HG1 LYS 96 8.061 -16.190 -16.989 530 1HD LYS 96 HD2 LYS 96 8.852 -18.417 -16.382 531 2HD LYS 96 HD1 LYS 96 7.326 -18.745 -15.559 532 1HE LYS 96 HE2 LYS 96 7.595 -18.110 -18.494 533 2HE LYS 96 HE1 LYS 96 7.463 -19.737 -17.829 534 1HZ LYS 96 HZ1 LYS 96 5.306 -19.059 -16.862 535 2HZ LYS 96 HZ2 LYS 96 5.319 -19.025 -18.553 536 3HZ LYS 96 HZ3 LYS 96 5.428 -17.582 -17.678 537 H GLU 97 HN GLU 97 8.288 -15.408 -11.879 538 HA GLU 97 HA GLU 97 6.659 -17.357 -10.731 539 1HB GLU 97 HB2 GLU 97 8.046 -15.279 -9.078 540 2HB GLU 97 HB1 GLU 97 7.799 -16.983 -8.724 541 1HG GLU 97 HG2 GLU 97 9.307 -16.928 -11.072 542 2HG GLU 97 HG1 GLU 97 9.998 -15.680 -10.035 543 H LEU 98 HN LEU 98 6.467 -13.821 -10.398 544 HA LEU 98 HA LEU 98 4.195 -14.044 -8.656 545 1HB LEU 98 HB2 LEU 98 5.693 -11.739 -9.813 546 2HB LEU 98 HB1 LEU 98 4.129 -11.485 -9.082 547 HG LEU 98 HG LEU 98 4.973 -11.538 -7.034 548 1HD1 LEU 98 HD11 LEU 98 4.993 -13.899 -6.865 549 2HD1 LEU 98 HD12 LEU 98 6.529 -13.319 -6.220 550 3HD1 LEU 98 HD13 LEU 98 6.460 -14.017 -7.838 551 1HD2 LEU 98 HD21 LEU 98 7.752 -11.849 -8.082 552 2HD2 LEU 98 HD22 LEU 98 7.160 -10.826 -6.769 553 3HD2 LEU 98 HD23 LEU 98 6.813 -10.402 -8.446 554 H GLN 99 HN GLN 99 3.977 -15.180 -11.304 555 HA GLN 99 HA GLN 99 2.004 -13.525 -12.621 556 1HB GLN 99 HB2 GLN 99 3.037 -16.313 -13.196 557 2HB GLN 99 HB1 GLN 99 1.795 -15.519 -14.153 558 1HG GLN 99 HG2 GLN 99 3.332 -13.821 -14.852 559 2HG GLN 99 HG1 GLN 99 4.570 -14.428 -13.756 560 1HE2 GLN 99 HE21 GLN 99 4.421 -14.093 -16.733 561 2HE2 GLN 99 HE22 GLN 99 4.879 -15.633 -17.367 562 H SER 100 HN SER 100 2.287 -16.372 -10.595 563 HA SER 100 HA SER 100 -0.582 -16.199 -9.986 564 1HB SER 100 HB2 SER 100 0.827 -18.515 -11.206 565 2HB SER 100 HB1 SER 100 -0.343 -18.870 -9.936 566 HG SER 100 HG SER 100 -0.775 -18.156 -12.498 567 H LYS 101 HN LYS 101 1.055 -15.128 -8.232 568 HA LYS 101 HA LYS 101 1.562 -17.230 -6.232 569 1HB LYS 101 HB2 LYS 101 3.589 -16.114 -7.200 570 2HB LYS 101 HB1 LYS 101 3.050 -14.623 -6.443 571 1HG LYS 101 HG2 LYS 101 4.264 -15.253 -4.691 572 2HG LYS 101 HG1 LYS 101 2.980 -16.420 -4.367 573 1HD LYS 101 HD2 LYS 101 4.171 -18.180 -5.280 574 2HD LYS 101 HD1 LYS 101 5.170 -17.120 -6.277 575 1HE LYS 101 HE2 LYS 101 5.323 -17.242 -3.270 576 2HE LYS 101 HE1 LYS 101 6.361 -18.178 -4.345 577 1HZ LYS 101 HZ1 LYS 101 6.984 -15.761 -3.419 578 2HZ LYS 101 HZ2 LYS 101 6.250 -15.330 -4.880 579 3HZ LYS 101 HZ3 LYS 101 7.574 -16.381 -4.879 580 HA PRO 102 HA PRO 102 -1.504 -14.725 -3.962 581 1HB PRO 102 HB2 PRO 102 -2.114 -16.646 -2.162 582 2HB PRO 102 HB1 PRO 102 -2.798 -16.639 -3.793 583 1HG PRO 102 HG2 PRO 102 -0.490 -18.215 -2.714 584 2HG PRO 102 HG1 PRO 102 -1.819 -18.752 -3.760 585 1HD PRO 102 HD2 PRO 102 0.640 -18.138 -4.723 586 2HD PRO 102 HD1 PRO 102 -0.847 -17.878 -5.657 587 H VAL 103 HN VAL 103 0.126 -13.325 -3.172 588 HA VAL 103 HA VAL 103 1.732 -14.254 -0.909 589 HB VAL 103 HB VAL 103 2.864 -13.129 -2.769 590 1HG1 VAL 103 HG11 VAL 103 2.494 -10.538 -2.759 591 2HG1 VAL 103 HG12 VAL 103 0.902 -10.975 -2.138 592 3HG1 VAL 103 HG13 VAL 103 1.441 -11.592 -3.700 593 1HG2 VAL 103 HG21 VAL 103 3.600 -12.952 -0.321 594 2HG2 VAL 103 HG22 VAL 103 3.009 -11.292 -0.403 595 3HG2 VAL 103 HG23 VAL 103 4.303 -11.822 -1.478 596 H THR 104 HN THR 104 2.061 -12.867 0.930 597 HA THR 104 HA THR 104 -0.373 -11.446 1.738 598 HB THR 104 HB THR 104 1.688 -12.158 3.735 599 HG1 THR 104 HG1 THR 104 0.799 -14.284 3.870 600 1HG2 THR 104 HG21 THR 104 0.022 -11.527 5.044 601 2HG2 THR 104 HG22 THR 104 -0.778 -13.034 4.599 602 3HG2 THR 104 HG23 THR 104 -1.131 -11.553 3.710 603 H PHE 105 HN PHE 105 -0.189 -9.351 1.349 604 HA PHE 105 HA PHE 105 2.429 -8.081 1.518 605 1HB PHE 105 HB2 PHE 105 -0.249 -7.184 0.470 606 2HB PHE 105 HB1 PHE 105 1.091 -6.066 0.673 607 HD1 PHE 105 HD1 PHE 105 3.316 -7.944 -0.190 608 HD2 PHE 105 HD2 PHE 105 -0.515 -7.092 -1.836 609 HE1 PHE 105 HE1 PHE 105 4.148 -8.532 -2.429 610 HE2 PHE 105 HE2 PHE 105 0.309 -7.684 -4.074 611 HZ PHE 105 HZ PHE 105 2.640 -8.400 -4.373 612 H GLU 106 HN GLU 106 3.078 -7.088 3.277 613 HA GLU 106 HA GLU 106 1.107 -6.147 5.245 614 1HB GLU 106 HB2 GLU 106 2.659 -7.387 6.460 615 2HB GLU 106 HB1 GLU 106 3.984 -6.973 5.384 616 1HG GLU 106 HG2 GLU 106 4.409 -4.980 6.446 617 2HG GLU 106 HG1 GLU 106 2.770 -4.848 7.084 618 H VAL 107 HN VAL 107 0.487 -4.339 3.959 619 HA VAL 107 HA VAL 107 2.559 -2.434 3.251 620 HB VAL 107 HB VAL 107 -0.253 -1.702 2.725 621 1HG1 VAL 107 HG11 VAL 107 0.808 -0.360 1.314 622 2HG1 VAL 107 HG12 VAL 107 1.469 -1.747 0.452 623 3HG1 VAL 107 HG13 VAL 107 2.346 -1.055 1.819 624 1HG2 VAL 107 HG21 VAL 107 1.057 -4.106 1.455 625 2HG2 VAL 107 HG22 VAL 107 -0.265 -3.216 0.700 626 3HG2 VAL 107 HG23 VAL 107 -0.515 -4.018 2.250 627 H VAL 108 HN VAL 108 3.207 -1.037 4.739 628 HA VAL 108 HA VAL 108 1.412 -0.098 6.800 629 HB VAL 108 HB VAL 108 4.316 -0.004 6.204 630 1HG1 VAL 108 HG11 VAL 108 4.310 2.281 6.461 631 2HG1 VAL 108 HG12 VAL 108 4.422 1.790 8.151 632 3HG1 VAL 108 HG13 VAL 108 2.867 2.275 7.475 633 1HG2 VAL 108 HG21 VAL 108 3.253 -1.576 7.802 634 2HG2 VAL 108 HG22 VAL 108 2.834 -0.199 8.821 635 3HG2 VAL 108 HG23 VAL 108 4.527 -0.589 8.519 636 H LEU 109 HN LEU 109 -0.101 0.905 5.477 637 HA LEU 109 HA LEU 109 0.091 2.519 3.368 638 1HB LEU 109 HB2 LEU 109 -1.880 1.804 5.055 639 2HB LEU 109 HB1 LEU 109 -1.807 3.534 5.340 640 HG LEU 109 HG LEU 109 -2.120 2.258 2.625 641 1HD1 LEU 109 HD11 LEU 109 -4.393 3.748 3.311 642 2HD1 LEU 109 HD12 LEU 109 -4.035 2.725 4.702 643 3HD1 LEU 109 HD13 LEU 109 -4.264 2.001 3.110 644 1HD2 LEU 109 HD21 LEU 109 -1.051 4.377 2.423 645 2HD2 LEU 109 HD22 LEU 109 -2.175 5.118 3.563 646 3HD2 LEU 109 HD23 LEU 109 -2.744 4.592 1.979 647 H LYS 110 HN LYS 110 2.160 3.745 3.609 648 HA LYS 110 HA LYS 110 1.771 6.225 5.150 649 1HB LYS 110 HB2 LYS 110 4.075 4.544 4.644 650 2HB LYS 110 HB1 LYS 110 4.368 6.177 4.066 651 1HG LYS 110 HG2 LYS 110 4.570 6.991 6.130 652 2HG LYS 110 HG1 LYS 110 3.158 6.108 6.713 653 1HD LYS 110 HD2 LYS 110 4.415 4.192 7.196 654 2HD LYS 110 HD1 LYS 110 5.767 4.718 6.192 655 1HE LYS 110 HE2 LYS 110 5.994 6.664 7.832 656 2HE LYS 110 HE1 LYS 110 4.924 5.741 8.887 657 1HZ LYS 110 HZ1 LYS 110 6.744 3.896 8.235 658 2HZ LYS 110 HZ2 LYS 110 6.842 4.869 9.614 659 3HZ LYS 110 HZ3 LYS 110 7.705 5.289 8.222 660 H ALA 111 HN ALA 111 1.338 8.084 3.896 661 HA ALA 111 HA ALA 111 1.924 7.821 1.028 662 1HB ALA 111 HB1 ALA 111 -0.245 8.752 0.466 663 2HB ALA 111 HB2 ALA 111 -0.679 8.764 2.176 664 3HB ALA 111 HB3 ALA 111 -0.377 7.233 1.353 665 H ILE 112 HN ILE 112 2.803 9.405 0.070 666 HA ILE 112 HA ILE 112 2.877 12.090 1.293 667 HB ILE 112 HB ILE 112 4.823 10.701 -0.544 668 1HG1 ILE 112 HG12 ILE 112 4.901 10.167 1.892 669 2HG1 ILE 112 HG11 ILE 112 6.371 10.927 1.295 670 1HG2 ILE 112 HG21 ILE 112 6.170 12.844 -0.223 671 2HG2 ILE 112 HG22 ILE 112 4.648 13.588 0.265 672 3HG2 ILE 112 HG23 ILE 112 4.817 12.905 -1.352 673 1HD1 ILE 112 HD11 ILE 112 4.503 11.811 3.331 674 2HD1 ILE 112 HD12 ILE 112 4.867 13.063 2.143 675 3HD1 ILE 112 HD13 ILE 112 6.175 12.289 3.038 676 H LYS 113 HN LYS 113 1.897 13.776 0.037 677 HA LYS 113 HA LYS 113 0.967 12.973 -2.613 678 1HB LYS 113 HB2 LYS 113 -0.250 14.352 -0.497 679 2HB LYS 113 HB1 LYS 113 0.036 15.572 -1.731 680 1HG LYS 113 HG2 LYS 113 -1.155 13.002 -2.601 681 2HG LYS 113 HG1 LYS 113 -2.168 14.103 -1.665 682 1HD LYS 113 HD2 LYS 113 -0.646 14.882 -4.150 683 2HD LYS 113 HD1 LYS 113 -2.347 14.411 -4.130 684 1HE LYS 113 HE2 LYS 113 -2.416 16.293 -2.241 685 2HE LYS 113 HE1 LYS 113 -1.044 16.895 -3.170 686 1HZ LYS 113 HZ1 LYS 113 -2.441 16.856 -5.156 687 2HZ LYS 113 HZ2 LYS 113 -3.097 17.857 -3.962 688 3HZ LYS 113 HZ3 LYS 113 -3.757 16.324 -4.235 Start of MODEL 10 1 H LYS 29 HN LYS 29 -8.911 10.605 4.415 2 HA LYS 29 HA LYS 29 -8.213 7.789 3.902 3 1HB LYS 29 HB2 LYS 29 -10.722 8.515 3.786 4 2HB LYS 29 HB1 LYS 29 -10.257 9.238 2.253 5 1HG LYS 29 HG2 LYS 29 -9.336 6.491 2.542 6 2HG LYS 29 HG1 LYS 29 -11.091 6.654 2.632 7 1HD LYS 29 HD2 LYS 29 -10.494 8.279 0.526 8 2HD LYS 29 HD1 LYS 29 -9.273 7.017 0.357 9 1HE LYS 29 HE2 LYS 29 -10.778 5.552 -0.383 10 2HE LYS 29 HE1 LYS 29 -11.867 5.895 0.960 11 1HZ LYS 29 HZ1 LYS 29 -11.726 7.907 -1.137 12 2HZ LYS 29 HZ2 LYS 29 -13.060 7.349 -0.261 13 3HZ LYS 29 HZ3 LYS 29 -12.462 6.443 -1.558 14 H LEU 30 HN LEU 30 -6.343 7.805 2.840 15 HA LEU 30 HA LEU 30 -5.640 9.998 1.073 16 1HB LEU 30 HB2 LEU 30 -3.973 8.999 2.598 17 2HB LEU 30 HB1 LEU 30 -4.137 7.469 1.758 18 HG LEU 30 HG LEU 30 -3.502 9.169 -0.297 19 1HD1 LEU 30 HD11 LEU 30 -3.099 10.977 1.360 20 2HD1 LEU 30 HD12 LEU 30 -1.681 10.562 0.398 21 3HD1 LEU 30 HD13 LEU 30 -1.816 9.990 2.060 22 1HD2 LEU 30 HD21 LEU 30 -2.521 7.022 -0.076 23 2HD2 LEU 30 HD22 LEU 30 -1.763 7.450 1.457 24 3HD2 LEU 30 HD23 LEU 30 -1.197 8.186 -0.042 25 H ALA 31 HN ALA 31 -7.126 9.763 -0.632 26 HA ALA 31 HA ALA 31 -7.274 7.245 -2.035 27 1HB ALA 31 HB1 ALA 31 -8.785 9.737 -1.999 28 2HB ALA 31 HB2 ALA 31 -9.320 8.080 -2.288 29 3HB ALA 31 HB3 ALA 31 -8.622 9.027 -3.605 30 H ASN 32 HN ASN 32 -7.500 7.926 -4.640 31 HA ASN 32 HA ASN 32 -4.985 7.690 -5.665 32 1HB ASN 32 HB2 ASN 32 -5.917 8.316 -7.831 33 2HB ASN 32 HB1 ASN 32 -7.042 7.293 -6.944 34 1HD2 ASN 32 HD21 ASN 32 -6.345 10.566 -7.961 35 2HD2 ASN 32 HD22 ASN 32 -7.958 11.164 -7.798 36 H GLY 33 HN GLY 33 -4.285 9.387 -7.533 37 1HA GLY 33 HA2 GLY 33 -3.094 11.279 -7.954 38 2HA GLY 33 HA1 GLY 33 -4.352 12.126 -7.085 39 H ASP 34 HN ASP 34 -2.777 9.811 -5.153 40 HA ASP 34 HA ASP 34 -0.991 11.880 -4.048 41 1HB ASP 34 HB2 ASP 34 -3.140 10.610 -2.796 42 2HB ASP 34 HB1 ASP 34 -1.711 9.812 -2.146 43 H ILE 35 HN ILE 35 0.820 10.884 -2.694 44 HA ILE 35 HA ILE 35 1.910 8.556 -4.138 45 HB ILE 35 HB ILE 35 3.304 10.763 -2.658 46 1HG1 ILE 35 HG12 ILE 35 3.094 10.038 -5.566 47 2HG1 ILE 35 HG11 ILE 35 2.560 11.522 -4.782 48 1HG2 ILE 35 HG21 ILE 35 4.205 8.161 -2.938 49 2HG2 ILE 35 HG22 ILE 35 5.160 9.580 -2.517 50 3HG2 ILE 35 HG23 ILE 35 5.036 9.069 -4.200 51 1HD1 ILE 35 HD11 ILE 35 5.433 10.664 -5.022 52 2HD1 ILE 35 HD12 ILE 35 4.828 12.205 -4.413 53 3HD1 ILE 35 HD13 ILE 35 4.621 11.786 -6.113 54 H ALA 36 HN ALA 36 1.860 6.652 -2.927 55 HA ALA 36 HA ALA 36 1.646 6.935 -0.023 56 1HB ALA 36 HB1 ALA 36 0.009 5.632 -1.650 57 2HB ALA 36 HB2 ALA 36 0.319 5.113 0.007 58 3HB ALA 36 HB3 ALA 36 1.161 4.334 -1.333 59 H ILE 37 HN ILE 37 3.621 6.784 0.946 60 HA ILE 37 HA ILE 37 5.638 4.984 -0.099 61 HB ILE 37 HB ILE 37 6.733 6.857 0.646 62 1HG1 ILE 37 HG12 ILE 37 7.010 4.590 2.337 63 2HG1 ILE 37 HG11 ILE 37 8.214 5.784 1.902 64 1HG2 ILE 37 HG21 ILE 37 4.813 7.003 2.943 65 2HG2 ILE 37 HG22 ILE 37 4.906 8.073 1.545 66 3HG2 ILE 37 HG23 ILE 37 6.198 8.072 2.744 67 1HD1 ILE 37 HD11 ILE 37 6.841 7.069 3.878 68 2HD1 ILE 37 HD12 ILE 37 8.329 6.154 4.093 69 3HD1 ILE 37 HD13 ILE 37 6.773 5.388 4.401 70 H ILE 38 HN ILE 38 4.362 3.083 0.202 71 HA ILE 38 HA ILE 38 3.827 2.333 2.966 72 HB ILE 38 HB ILE 38 2.632 0.414 2.044 73 1HG1 ILE 38 HG12 ILE 38 4.056 0.440 -0.130 74 2HG1 ILE 38 HG11 ILE 38 2.365 -0.019 -0.228 75 1HG2 ILE 38 HG21 ILE 38 1.818 2.942 2.301 76 2HG2 ILE 38 HG22 ILE 38 0.754 1.623 1.819 77 3HG2 ILE 38 HG23 ILE 38 1.445 2.689 0.597 78 1HD1 ILE 38 HD11 ILE 38 2.515 2.778 -0.619 79 2HD1 ILE 38 HD12 ILE 38 2.054 1.525 -1.770 80 3HD1 ILE 38 HD13 ILE 38 3.742 2.018 -1.631 81 H ASP 39 HN ASP 39 4.931 0.831 4.086 82 HA ASP 39 HA ASP 39 7.200 -0.507 2.807 83 1HB ASP 39 HB2 ASP 39 6.528 -0.947 5.688 84 2HB ASP 39 HB1 ASP 39 8.099 -0.813 4.917 85 H PHE 40 HN PHE 40 6.111 -1.917 1.531 86 HA PHE 40 HA PHE 40 4.307 -3.796 2.852 87 1HB PHE 40 HB2 PHE 40 3.558 -4.502 0.656 88 2HB PHE 40 HB1 PHE 40 3.501 -2.757 0.787 89 HD1 PHE 40 HD1 PHE 40 4.771 -1.359 -0.637 90 HD2 PHE 40 HD2 PHE 40 5.295 -5.582 -0.733 91 HE1 PHE 40 HE1 PHE 40 6.017 -1.151 -2.748 92 HE2 PHE 40 HE2 PHE 40 6.549 -5.381 -2.840 93 HZ PHE 40 HZ PHE 40 6.909 -3.165 -3.852 94 H THR 41 HN THR 41 5.050 -5.605 3.638 95 HA THR 41 HA THR 41 7.524 -6.764 2.632 96 HB THR 41 HB THR 41 6.108 -8.139 4.815 97 HG1 THR 41 HG1 THR 41 7.056 -5.488 5.153 98 1HG2 THR 41 HG21 THR 41 8.289 -8.830 4.634 99 2HG2 THR 41 HG22 THR 41 8.396 -7.614 5.907 100 3HG2 THR 41 HG23 THR 41 8.885 -7.213 4.260 101 H GLY 42 HN GLY 42 7.349 -8.125 0.956 102 1HA GLY 42 HA2 GLY 42 4.981 -9.556 0.269 103 2HA GLY 42 HA1 GLY 42 6.572 -9.738 -0.452 104 H ILE 43 HN ILE 43 4.531 -10.755 2.236 105 HA ILE 43 HA ILE 43 6.340 -12.943 2.876 106 HB ILE 43 HB ILE 43 3.646 -12.949 4.057 107 1HG1 ILE 43 HG12 ILE 43 5.349 -10.553 4.132 108 2HG1 ILE 43 HG11 ILE 43 3.633 -10.727 4.489 109 1HG2 ILE 43 HG21 ILE 43 6.435 -13.255 5.135 110 2HG2 ILE 43 HG22 ILE 43 5.276 -14.534 4.781 111 3HG2 ILE 43 HG23 ILE 43 4.970 -13.412 6.104 112 1HD1 ILE 43 HD11 ILE 43 4.770 -9.972 6.446 113 2HD1 ILE 43 HD12 ILE 43 5.944 -11.283 6.326 114 3HD1 ILE 43 HD13 ILE 43 4.259 -11.640 6.708 115 H VAL 44 HN VAL 44 6.194 -14.887 1.929 116 HA VAL 44 HA VAL 44 3.837 -15.481 0.314 117 HB VAL 44 HB VAL 44 6.003 -15.712 -0.768 118 1HG1 VAL 44 HG11 VAL 44 7.743 -16.989 -0.018 119 2HG1 VAL 44 HG12 VAL 44 6.691 -18.128 0.821 120 3HG1 VAL 44 HG13 VAL 44 7.025 -16.550 1.531 121 1HG2 VAL 44 HG21 VAL 44 4.067 -17.880 -0.516 122 2HG2 VAL 44 HG22 VAL 44 5.647 -18.413 -1.090 123 3HG2 VAL 44 HG23 VAL 44 4.774 -17.151 -1.957 124 H ASP 45 HN ASP 45 2.559 -15.860 2.305 125 HA ASP 45 HA ASP 45 1.512 -17.228 3.792 126 1HB ASP 45 HB2 ASP 45 1.774 -18.625 1.478 127 2HB ASP 45 HB1 ASP 45 2.567 -19.717 2.608 128 H ASN 46 HN ASN 46 3.143 -16.434 5.374 129 HA ASN 46 HA ASN 46 4.184 -17.041 7.346 130 1HB ASN 46 HB2 ASN 46 3.477 -19.516 6.539 131 2HB ASN 46 HB1 ASN 46 5.229 -19.636 6.401 132 1HD2 ASN 46 HD21 ASN 46 2.560 -19.649 8.488 133 2HD2 ASN 46 HD22 ASN 46 3.424 -19.748 9.981 134 H LYS 47 HN LYS 47 5.656 -17.669 4.231 135 HA LYS 47 HA LYS 47 8.275 -17.217 5.368 136 1HB LYS 47 HB2 LYS 47 7.228 -18.285 2.841 137 2HB LYS 47 HB1 LYS 47 8.661 -17.286 2.650 138 1HG LYS 47 HG2 LYS 47 8.902 -19.194 4.832 139 2HG LYS 47 HG1 LYS 47 8.618 -19.961 3.268 140 1HD LYS 47 HD2 LYS 47 10.568 -17.809 3.111 141 2HD LYS 47 HD1 LYS 47 11.050 -19.072 4.246 142 1HE LYS 47 HE2 LYS 47 11.188 -20.677 2.615 143 2HE LYS 47 HE1 LYS 47 10.002 -19.882 1.581 144 1HZ LYS 47 HZ1 LYS 47 11.686 -18.157 1.127 145 2HZ LYS 47 HZ2 LYS 47 12.158 -19.691 0.595 146 3HZ LYS 47 HZ3 LYS 47 12.819 -19.049 2.013 147 H LYS 48 HN LYS 48 9.419 -15.367 5.241 148 HA LYS 48 HA LYS 48 8.196 -13.131 3.751 149 1HB LYS 48 HB2 LYS 48 9.465 -11.700 5.489 150 2HB LYS 48 HB1 LYS 48 7.988 -12.504 5.998 151 1HG LYS 48 HG2 LYS 48 10.428 -14.072 6.409 152 2HG LYS 48 HG1 LYS 48 10.340 -12.578 7.343 153 1HD LYS 48 HD2 LYS 48 7.813 -13.646 7.621 154 2HD LYS 48 HD1 LYS 48 8.856 -15.069 7.648 155 1HE LYS 48 HE2 LYS 48 8.410 -14.052 9.891 156 2HE LYS 48 HE1 LYS 48 10.117 -14.207 9.475 157 1HZ LYS 48 HZ1 LYS 48 9.025 -11.970 10.410 158 2HZ LYS 48 HZ2 LYS 48 8.864 -11.691 8.749 159 3HZ LYS 48 HZ3 LYS 48 10.391 -11.990 9.411 160 H LEU 49 HN LEU 49 9.410 -13.476 1.883 161 HA LEU 49 HA LEU 49 12.306 -13.550 2.068 162 1HB LEU 49 HB2 LEU 49 12.149 -13.665 -0.462 163 2HB LEU 49 HB1 LEU 49 11.502 -15.019 0.439 164 HG LEU 49 HG LEU 49 10.202 -14.094 -1.605 165 1HD1 LEU 49 HD11 LEU 49 9.482 -15.528 0.646 166 2HD1 LEU 49 HD12 LEU 49 8.570 -15.390 -0.857 167 3HD1 LEU 49 HD13 LEU 49 8.220 -14.305 0.488 168 1HD2 LEU 49 HD21 LEU 49 10.165 -11.762 -1.015 169 2HD2 LEU 49 HD22 LEU 49 9.380 -12.122 0.522 170 3HD2 LEU 49 HD23 LEU 49 8.519 -12.391 -0.993 171 H ALA 50 HN ALA 50 13.341 -12.208 0.096 172 HA ALA 50 HA ALA 50 12.828 -9.431 0.800 173 1HB ALA 50 HB1 ALA 50 15.051 -9.399 0.758 174 2HB ALA 50 HB2 ALA 50 14.946 -9.491 -1.000 175 3HB ALA 50 HB3 ALA 50 15.124 -10.965 -0.050 176 H SER 51 HN SER 51 12.038 -11.606 -1.689 177 HA SER 51 HA SER 51 12.097 -10.184 -4.022 178 1HB SER 51 HB2 SER 51 11.328 -12.457 -4.032 179 2HB SER 51 HB1 SER 51 9.955 -12.052 -3.002 180 HG SER 51 HG SER 51 10.381 -11.452 -5.719 181 H ALA 52 HN ALA 52 8.934 -10.439 -2.461 182 HA ALA 52 HA ALA 52 8.302 -7.818 -3.469 183 1HB ALA 52 HB1 ALA 52 6.142 -8.663 -1.934 184 2HB ALA 52 HB2 ALA 52 6.814 -10.142 -2.625 185 3HB ALA 52 HB3 ALA 52 6.329 -8.816 -3.682 186 H SER 53 HN SER 53 10.219 -8.252 -1.113 187 HA SER 53 HA SER 53 8.823 -7.013 1.099 188 1HB SER 53 HB2 SER 53 10.455 -8.665 1.691 189 2HB SER 53 HB1 SER 53 11.692 -7.874 0.714 190 HG SER 53 HG SER 53 12.015 -7.297 2.842 191 H ALA 54 HN ALA 54 8.262 -4.964 0.540 192 HA ALA 54 HA ALA 54 10.462 -3.135 -0.147 193 1HB ALA 54 HB1 ALA 54 8.918 -1.749 -1.323 194 2HB ALA 54 HB2 ALA 54 7.563 -2.747 -0.799 195 3HB ALA 54 HB3 ALA 54 8.753 -3.401 -1.922 196 H GLN 55 HN GLN 55 10.852 -1.470 1.080 197 HA GLN 55 HA GLN 55 9.322 -1.150 3.527 198 1HB GLN 55 HB2 GLN 55 11.940 -1.259 3.183 199 2HB GLN 55 HB1 GLN 55 11.747 0.463 2.894 200 1HG GLN 55 HG2 GLN 55 10.361 0.291 5.152 201 2HG GLN 55 HG1 GLN 55 11.417 -1.101 5.386 202 1HE2 GLN 55 HE21 GLN 55 11.661 0.840 7.162 203 2HE2 GLN 55 HE22 GLN 55 13.102 1.760 6.910 204 H ASN 56 HN ASN 56 10.520 1.642 3.449 205 HA ASN 56 HA ASN 56 8.185 3.101 2.850 206 1HB ASN 56 HB2 ASN 56 11.053 4.069 3.035 207 2HB ASN 56 HB1 ASN 56 9.635 5.111 3.020 208 1HD2 ASN 56 HD21 ASN 56 11.672 3.114 4.891 209 2HD2 ASN 56 HD22 ASN 56 10.866 3.319 6.405 210 H TYR 57 HN TYR 57 7.769 2.053 0.764 211 HA TYR 57 HA TYR 57 9.407 3.001 -1.457 212 1HB TYR 57 HB2 TYR 57 8.545 0.602 -1.284 213 2HB TYR 57 HB1 TYR 57 6.949 1.257 -1.637 214 HD1 TYR 57 HD1 TYR 57 6.869 2.808 -3.795 215 HD2 TYR 57 HD2 TYR 57 9.817 -0.167 -3.049 216 HE1 TYR 57 HE1 TYR 57 7.350 2.690 -6.203 217 HE2 TYR 57 HE2 TYR 57 10.307 -0.293 -5.456 218 HH TYR 57 HH TYR 57 9.239 0.204 -7.581 219 H GLU 58 HN GLU 58 9.004 4.954 -2.139 220 HA GLU 58 HA GLU 58 6.527 6.288 -1.736 221 1HB GLU 58 HB2 GLU 58 8.929 7.265 -2.012 222 2HB GLU 58 HB1 GLU 58 8.584 7.180 -3.735 223 1HG GLU 58 HG2 GLU 58 6.917 8.776 -3.609 224 2HG GLU 58 HG1 GLU 58 6.684 8.539 -1.876 225 H LEU 59 HN LEU 59 4.975 5.017 -2.642 226 HA LEU 59 HA LEU 59 5.039 4.547 -5.523 227 1HB LEU 59 HB2 LEU 59 4.353 2.664 -4.190 228 2HB LEU 59 HB1 LEU 59 3.166 3.630 -3.340 229 HG LEU 59 HG LEU 59 1.724 3.708 -5.253 230 1HD1 LEU 59 HD11 LEU 59 2.436 3.574 -7.361 231 2HD1 LEU 59 HD12 LEU 59 3.160 1.993 -7.076 232 3HD1 LEU 59 HD13 LEU 59 4.083 3.455 -6.742 233 1HD2 LEU 59 HD21 LEU 59 1.578 1.205 -5.801 234 2HD2 LEU 59 HD22 LEU 59 1.322 1.733 -4.138 235 3HD2 LEU 59 HD23 LEU 59 2.867 1.028 -4.612 236 H THR 60 HN THR 60 3.283 5.252 -6.868 237 HA THR 60 HA THR 60 1.986 7.692 -5.839 238 HB THR 60 HB THR 60 1.898 7.276 -8.748 239 HG1 THR 60 HG1 THR 60 3.932 6.992 -9.117 240 1HG2 THR 60 HG21 THR 60 1.887 9.486 -8.769 241 2HG2 THR 60 HG22 THR 60 3.387 9.572 -7.846 242 3HG2 THR 60 HG23 THR 60 1.842 9.432 -7.007 243 H ILE 61 HN ILE 61 -0.114 7.246 -5.261 244 HA ILE 61 HA ILE 61 -1.457 5.021 -6.519 245 HB ILE 61 HB ILE 61 -3.358 5.782 -4.942 246 1HG1 ILE 61 HG12 ILE 61 -1.011 7.218 -3.670 247 2HG1 ILE 61 HG11 ILE 61 -2.378 8.015 -4.443 248 1HG2 ILE 61 HG21 ILE 61 -1.564 4.887 -3.017 249 2HG2 ILE 61 HG22 ILE 61 -0.926 4.273 -4.545 250 3HG2 ILE 61 HG23 ILE 61 -2.577 3.891 -4.066 251 1HD1 ILE 61 HD11 ILE 61 -3.867 7.223 -2.761 252 2HD1 ILE 61 HD12 ILE 61 -2.471 7.941 -1.962 253 3HD1 ILE 61 HD13 ILE 61 -2.620 6.187 -2.070 254 H GLY 62 HN GLY 62 -2.086 5.449 -8.493 255 1HA GLY 62 HA2 GLY 62 -4.184 6.402 -9.551 256 2HA GLY 62 HA1 GLY 62 -3.554 7.952 -9.000 257 H SER 63 HN SER 63 -1.199 5.671 -9.994 258 HA SER 63 HA SER 63 -0.751 7.221 -12.441 259 1HB SER 63 HB2 SER 63 1.569 6.102 -12.282 260 2HB SER 63 HB1 SER 63 1.183 7.367 -11.115 261 HG SER 63 HG SER 63 1.044 4.563 -10.694 262 H ASN 64 HN ASN 64 -1.890 4.224 -11.388 263 HA ASN 64 HA ASN 64 -2.506 2.335 -12.467 264 1HB ASN 64 HB2 ASN 64 -1.940 4.069 -14.868 265 2HB ASN 64 HB1 ASN 64 -2.523 2.415 -15.014 266 1HD2 ASN 64 HD21 ASN 64 -3.271 5.386 -13.226 267 2HD2 ASN 64 HD22 ASN 64 -4.986 5.259 -13.398 268 H SER 65 HN SER 65 0.356 2.884 -11.725 269 HA SER 65 HA SER 65 1.756 1.207 -13.670 270 1HB SER 65 HB2 SER 65 2.796 2.759 -11.287 271 2HB SER 65 HB1 SER 65 3.798 1.826 -12.399 272 HG SER 65 HG SER 65 3.765 4.007 -13.002 273 H PHE 66 HN PHE 66 0.413 1.084 -10.476 274 HA PHE 66 HA PHE 66 1.778 -1.436 -9.897 275 1HB PHE 66 HB2 PHE 66 0.916 0.689 -8.289 276 2HB PHE 66 HB1 PHE 66 -0.177 -0.638 -7.913 277 HD1 PHE 66 HD1 PHE 66 3.397 0.306 -8.092 278 HD2 PHE 66 HD2 PHE 66 0.512 -2.422 -6.564 279 HE1 PHE 66 HE1 PHE 66 5.113 -0.687 -6.635 280 HE2 PHE 66 HE2 PHE 66 2.222 -3.419 -5.103 281 HZ PHE 66 HZ PHE 66 4.526 -2.552 -5.137 282 H ILE 67 HN ILE 67 0.492 -3.286 -9.122 283 HA ILE 67 HA ILE 67 -1.459 -4.051 -10.965 284 HB ILE 67 HB ILE 67 -1.942 -5.944 -9.459 285 1HG1 ILE 67 HG12 ILE 67 -0.026 -4.543 -7.580 286 2HG1 ILE 67 HG11 ILE 67 -1.750 -4.783 -7.309 287 1HG2 ILE 67 HG21 ILE 67 0.315 -6.912 -9.495 288 2HG2 ILE 67 HG22 ILE 67 0.983 -5.311 -9.815 289 3HG2 ILE 67 HG23 ILE 67 -0.076 -6.078 -10.998 290 1HD1 ILE 67 HD11 ILE 67 -1.489 -6.941 -6.702 291 2HD1 ILE 67 HD12 ILE 67 0.130 -6.376 -6.288 292 3HD1 ILE 67 HD13 ILE 67 -0.148 -7.212 -7.817 293 H LYS 68 HN LYS 68 -3.715 -4.623 -10.566 294 HA LYS 68 HA LYS 68 -5.097 -2.450 -9.269 295 1HB LYS 68 HB2 LYS 68 -6.302 -4.882 -10.592 296 2HB LYS 68 HB1 LYS 68 -7.093 -3.347 -10.263 297 1HG LYS 68 HG2 LYS 68 -5.820 -2.233 -11.923 298 2HG LYS 68 HG1 LYS 68 -4.737 -3.614 -12.110 299 1HD LYS 68 HD2 LYS 68 -6.277 -3.577 -13.959 300 2HD LYS 68 HD1 LYS 68 -6.666 -4.950 -12.922 301 1HE LYS 68 HE2 LYS 68 -8.065 -2.425 -12.311 302 2HE LYS 68 HE1 LYS 68 -8.495 -3.196 -13.838 303 1HZ LYS 68 HZ1 LYS 68 -8.835 -4.201 -11.093 304 2HZ LYS 68 HZ2 LYS 68 -8.697 -5.299 -12.373 305 3HZ LYS 68 HZ3 LYS 68 -9.950 -4.164 -12.366 306 H GLY 69 HN GLY 69 -5.463 -2.480 -7.151 307 1HA GLY 69 HA2 GLY 69 -6.972 -3.636 -5.508 308 2HA GLY 69 HA1 GLY 69 -6.039 -5.081 -5.875 309 H PHE 70 HN PHE 70 -3.531 -3.547 -6.056 310 HA PHE 70 HA PHE 70 -2.801 -3.699 -3.291 311 1HB PHE 70 HB2 PHE 70 -1.304 -4.358 -5.185 312 2HB PHE 70 HB1 PHE 70 -1.168 -2.658 -5.614 313 HD1 PHE 70 HD1 PHE 70 -0.375 -1.082 -3.673 314 HD2 PHE 70 HD2 PHE 70 0.261 -5.286 -3.794 315 HE1 PHE 70 HE1 PHE 70 1.497 -0.840 -2.096 316 HE2 PHE 70 HE2 PHE 70 2.133 -5.054 -2.216 317 HZ PHE 70 HZ PHE 70 2.750 -2.828 -1.363 318 H GLU 71 HN GLU 71 -2.142 -1.034 -5.563 319 HA GLU 71 HA GLU 71 -1.705 0.993 -3.787 320 1HB GLU 71 HB2 GLU 71 -2.979 0.983 -6.510 321 2HB GLU 71 HB1 GLU 71 -2.789 2.483 -5.613 322 1HG GLU 71 HG2 GLU 71 -0.372 2.091 -5.493 323 2HG GLU 71 HG1 GLU 71 -0.578 0.611 -6.428 324 H THR 72 HN THR 72 -4.819 -0.277 -4.878 325 HA THR 72 HA THR 72 -6.467 1.704 -3.749 326 HB THR 72 HB THR 72 -8.127 -0.385 -3.778 327 HG1 THR 72 HG1 THR 72 -6.299 -1.176 -5.761 328 1HG2 THR 72 HG21 THR 72 -8.871 0.976 -5.367 329 2HG2 THR 72 HG22 THR 72 -7.912 -0.004 -6.477 330 3HG2 THR 72 HG23 THR 72 -7.244 1.489 -5.816 331 H GLY 73 HN GLY 73 -5.198 -1.322 -2.420 332 1HA GLY 73 HA2 GLY 73 -6.802 -1.314 -0.083 333 2HA GLY 73 HA1 GLY 73 -5.303 -2.203 -0.295 334 H LEU 74 HN LEU 74 -3.905 0.401 -0.909 335 HA LEU 74 HA LEU 74 -3.364 1.068 1.881 336 1HB LEU 74 HB2 LEU 74 -1.946 1.770 -0.689 337 2HB LEU 74 HB1 LEU 74 -1.461 2.386 0.880 338 HG LEU 74 HG LEU 74 -0.037 0.555 0.378 339 1HD1 LEU 74 HD11 LEU 74 -1.893 0.439 2.568 340 2HD1 LEU 74 HD12 LEU 74 -0.193 -0.010 2.521 341 3HD1 LEU 74 HD13 LEU 74 -1.429 -1.187 2.078 342 1HD2 LEU 74 HD21 LEU 74 -2.375 -1.290 0.049 343 2HD2 LEU 74 HD22 LEU 74 -0.695 -1.522 -0.439 344 3HD2 LEU 74 HD23 LEU 74 -1.720 -0.387 -1.318 345 H ILE 75 HN ILE 75 -4.660 2.539 -1.028 346 HA ILE 75 HA ILE 75 -4.601 5.218 -0.107 347 HB ILE 75 HB ILE 75 -6.031 5.789 -1.939 348 1HG1 ILE 75 HG12 ILE 75 -6.573 2.831 -2.214 349 2HG1 ILE 75 HG11 ILE 75 -7.729 4.053 -1.701 350 1HG2 ILE 75 HG21 ILE 75 -4.706 3.770 -3.481 351 2HG2 ILE 75 HG22 ILE 75 -3.635 4.392 -2.226 352 3HG2 ILE 75 HG23 ILE 75 -4.385 5.495 -3.376 353 1HD1 ILE 75 HD11 ILE 75 -7.361 5.132 -3.964 354 2HD1 ILE 75 HD12 ILE 75 -8.238 3.603 -3.939 355 3HD1 ILE 75 HD13 ILE 75 -6.542 3.639 -4.421 356 H ALA 76 HN ALA 76 -7.156 2.779 -0.060 357 HA ALA 76 HA ALA 76 -9.192 4.434 0.920 358 1HB ALA 76 HB1 ALA 76 -8.792 1.517 0.628 359 2HB ALA 76 HB2 ALA 76 -10.096 2.552 0.047 360 3HB ALA 76 HB3 ALA 76 -10.054 2.051 1.737 361 H MET 77 HN MET 77 -6.469 3.137 2.557 362 HA MET 77 HA MET 77 -7.829 3.521 5.145 363 1HB MET 77 HB2 MET 77 -5.677 1.716 4.241 364 2HB MET 77 HB1 MET 77 -5.413 2.449 5.817 365 1HG MET 77 HG2 MET 77 -8.108 1.408 5.496 366 2HG MET 77 HG1 MET 77 -6.865 0.174 5.297 367 1HE MET 77 HE1 MET 77 -8.850 2.230 8.184 368 2HE MET 77 HE2 MET 77 -8.739 0.657 8.974 369 3HE MET 77 HE3 MET 77 -9.252 0.764 7.289 370 H LYS 78 HN LYS 78 -6.236 4.320 6.913 371 HA LYS 78 HA LYS 78 -5.411 6.942 6.096 372 1HB LYS 78 HB2 LYS 78 -6.325 5.886 8.441 373 2HB LYS 78 HB1 LYS 78 -4.602 6.008 8.772 374 1HG LYS 78 HG2 LYS 78 -4.871 8.430 7.870 375 2HG LYS 78 HG1 LYS 78 -6.581 8.170 8.220 376 1HD LYS 78 HD2 LYS 78 -5.330 7.245 10.494 377 2HD LYS 78 HD1 LYS 78 -4.347 8.637 10.036 378 1HE LYS 78 HE2 LYS 78 -7.287 8.974 9.951 379 2HE LYS 78 HE1 LYS 78 -6.544 8.841 11.544 380 1HZ LYS 78 HZ1 LYS 78 -5.251 10.655 9.677 381 2HZ LYS 78 HZ2 LYS 78 -5.534 10.828 11.335 382 3HZ LYS 78 HZ3 LYS 78 -6.777 11.132 10.230 383 H VAL 79 HN VAL 79 -3.139 7.420 7.701 384 HA VAL 79 HA VAL 79 -1.130 5.904 6.192 385 HB VAL 79 HB VAL 79 -0.985 8.616 7.536 386 1HG1 VAL 79 HG11 VAL 79 1.174 7.653 7.708 387 2HG1 VAL 79 HG12 VAL 79 1.222 8.771 6.344 388 3HG1 VAL 79 HG13 VAL 79 1.097 7.037 6.059 389 1HG2 VAL 79 HG21 VAL 79 -2.237 8.158 5.258 390 2HG2 VAL 79 HG22 VAL 79 -0.594 8.204 4.619 391 3HG2 VAL 79 HG23 VAL 79 -1.241 9.596 5.489 392 H ASN 80 HN ASN 80 0.923 5.487 7.365 393 HA ASN 80 HA ASN 80 2.110 4.598 9.088 394 1HB ASN 80 HB2 ASN 80 1.125 6.894 10.119 395 2HB ASN 80 HB1 ASN 80 0.382 5.729 11.211 396 1HD2 ASN 80 HD21 ASN 80 2.129 3.880 11.706 397 2HD2 ASN 80 HD22 ASN 80 3.610 4.508 12.335 398 H GLN 81 HN GLN 81 -0.566 3.483 8.070 399 HA GLN 81 HA GLN 81 -1.253 1.797 10.377 400 1HB GLN 81 HB2 GLN 81 -2.706 2.740 7.981 401 2HB GLN 81 HB1 GLN 81 -3.056 1.091 8.482 402 1HG GLN 81 HG2 GLN 81 -3.167 2.475 10.847 403 2HG GLN 81 HG1 GLN 81 -3.832 3.624 9.688 404 1HE2 GLN 81 HE21 GLN 81 -4.016 0.090 9.868 405 2HE2 GLN 81 HE22 GLN 81 -5.741 0.009 9.910 406 H LYS 82 HN LYS 82 -0.567 -0.230 10.497 407 HA LYS 82 HA LYS 82 0.860 -1.390 8.247 408 1HB LYS 82 HB2 LYS 82 1.287 -1.461 10.954 409 2HB LYS 82 HB1 LYS 82 0.537 -3.025 10.668 410 1HG LYS 82 HG2 LYS 82 2.468 -2.652 8.646 411 2HG LYS 82 HG1 LYS 82 3.219 -2.204 10.178 412 1HD LYS 82 HD2 LYS 82 1.607 -4.670 10.221 413 2HD LYS 82 HD1 LYS 82 3.075 -4.735 9.243 414 1HE LYS 82 HE2 LYS 82 4.455 -4.485 11.048 415 2HE LYS 82 HE1 LYS 82 3.264 -3.566 11.968 416 1HZ LYS 82 HZ1 LYS 82 3.408 -6.495 11.576 417 2HZ LYS 82 HZ2 LYS 82 1.997 -5.736 12.117 418 3HZ LYS 82 HZ3 LYS 82 3.417 -5.628 13.029 419 H LYS 83 HN LYS 83 -0.677 -1.983 6.770 420 HA LYS 83 HA LYS 83 -2.831 -3.751 7.654 421 1HB LYS 83 HB2 LYS 83 -2.809 -1.668 5.871 422 2HB LYS 83 HB1 LYS 83 -2.720 -3.064 4.806 423 1HG LYS 83 HG2 LYS 83 -4.714 -3.330 6.922 424 2HG LYS 83 HG1 LYS 83 -5.010 -1.981 5.823 425 1HD LYS 83 HD2 LYS 83 -4.647 -3.635 3.931 426 2HD LYS 83 HD1 LYS 83 -4.736 -4.903 5.156 427 1HE LYS 83 HE2 LYS 83 -6.883 -2.831 4.745 428 2HE LYS 83 HE1 LYS 83 -6.890 -4.406 3.954 429 1HZ LYS 83 HZ1 LYS 83 -8.173 -4.748 5.825 430 2HZ LYS 83 HZ2 LYS 83 -7.207 -3.774 6.815 431 3HZ LYS 83 HZ3 LYS 83 -6.658 -5.301 6.338 432 H THR 84 HN THR 84 -1.973 -5.773 7.890 433 HA THR 84 HA THR 84 -0.224 -6.884 5.865 434 HB THR 84 HB THR 84 -1.409 -8.595 7.992 435 HG1 THR 84 HG1 THR 84 0.579 -6.657 8.553 436 1HG2 THR 84 HG21 THR 84 0.489 -9.786 7.859 437 2HG2 THR 84 HG22 THR 84 1.499 -8.358 7.629 438 3HG2 THR 84 HG23 THR 84 0.596 -9.028 6.270 439 H LEU 85 HN LEU 85 -1.825 -6.614 4.151 440 HA LEU 85 HA LEU 85 -4.104 -8.423 4.208 441 1HB LEU 85 HB2 LEU 85 -4.462 -6.174 3.398 442 2HB LEU 85 HB1 LEU 85 -3.194 -6.364 2.203 443 HG LEU 85 HG LEU 85 -5.554 -8.197 2.128 444 1HD1 LEU 85 HD11 LEU 85 -5.491 -5.392 1.020 445 2HD1 LEU 85 HD12 LEU 85 -6.528 -5.977 2.322 446 3HD1 LEU 85 HD13 LEU 85 -6.729 -6.603 0.686 447 1HD2 LEU 85 HD21 LEU 85 -3.253 -7.819 0.582 448 2HD2 LEU 85 HD22 LEU 85 -4.579 -7.154 -0.373 449 3HD2 LEU 85 HD23 LEU 85 -4.651 -8.822 0.195 450 H ALA 86 HN ALA 86 -4.311 -10.239 2.991 451 HA ALA 86 HA ALA 86 -1.912 -11.279 1.726 452 1HB ALA 86 HB1 ALA 86 -4.315 -12.925 1.530 453 2HB ALA 86 HB2 ALA 86 -3.922 -12.455 3.183 454 3HB ALA 86 HB3 ALA 86 -2.730 -13.309 2.203 455 H LEU 87 HN LEU 87 -1.779 -9.916 -0.091 456 HA LEU 87 HA LEU 87 -3.979 -9.883 -1.978 457 1HB LEU 87 HB2 LEU 87 -2.501 -7.896 -1.378 458 2HB LEU 87 HB1 LEU 87 -1.270 -8.655 -2.370 459 HG LEU 87 HG LEU 87 -2.729 -8.514 -4.327 460 1HD1 LEU 87 HD11 LEU 87 -4.899 -8.716 -3.419 461 2HD1 LEU 87 HD12 LEU 87 -4.806 -7.095 -4.109 462 3HD1 LEU 87 HD13 LEU 87 -4.668 -7.321 -2.365 463 1HD2 LEU 87 HD21 LEU 87 -2.594 -6.152 -4.670 464 2HD2 LEU 87 HD22 LEU 87 -1.205 -6.642 -3.701 465 3HD2 LEU 87 HD23 LEU 87 -2.579 -5.848 -2.932 466 H THR 88 HN THR 88 -3.841 -10.538 -4.139 467 HA THR 88 HA THR 88 -2.089 -12.832 -4.567 468 HB THR 88 HB THR 88 -3.944 -12.060 -6.719 469 HG1 THR 88 HG1 THR 88 -4.905 -12.704 -4.134 470 1HG2 THR 88 HG21 THR 88 -2.904 -14.234 -6.732 471 2HG2 THR 88 HG22 THR 88 -4.649 -14.398 -6.534 472 3HG2 THR 88 HG23 THR 88 -3.581 -14.596 -5.145 473 H PHE 89 HN PHE 89 -1.341 -13.011 -6.978 474 HA PHE 89 HA PHE 89 -0.183 -10.414 -7.748 475 1HB PHE 89 HB2 PHE 89 1.073 -13.049 -7.329 476 2HB PHE 89 HB1 PHE 89 1.569 -12.214 -8.786 477 HD1 PHE 89 HD1 PHE 89 2.429 -12.755 -5.517 478 HD2 PHE 89 HD2 PHE 89 2.005 -9.574 -8.312 479 HE1 PHE 89 HE1 PHE 89 4.014 -11.402 -4.210 480 HE2 PHE 89 HE2 PHE 89 3.587 -8.215 -7.011 481 HZ PHE 89 HZ PHE 89 4.596 -9.129 -4.957 482 HA PRO 90 HA PRO 90 -2.461 -11.505 -11.478 483 1HB PRO 90 HB2 PRO 90 -2.498 -9.072 -12.574 484 2HB PRO 90 HB1 PRO 90 -3.474 -9.440 -11.144 485 1HG PRO 90 HG2 PRO 90 -0.814 -8.057 -11.314 486 2HG PRO 90 HG1 PRO 90 -2.255 -7.596 -10.386 487 1HD PRO 90 HD2 PRO 90 -0.134 -8.930 -9.301 488 2HD PRO 90 HD1 PRO 90 -1.796 -9.085 -8.698 489 H SER 91 HN SER 91 -2.053 -11.445 -13.782 490 HA SER 91 HA SER 91 0.570 -12.119 -14.493 491 1HB SER 91 HB2 SER 91 -1.281 -12.943 -15.800 492 2HB SER 91 HB1 SER 91 -1.785 -11.302 -16.204 493 HG SER 91 HG SER 91 0.027 -11.069 -17.467 494 H ASP 92 HN ASP 92 -1.154 -9.099 -14.537 495 HA ASP 92 HA ASP 92 0.240 -7.514 -16.245 496 1HB ASP 92 HB2 ASP 92 -1.400 -7.100 -13.924 497 2HB ASP 92 HB1 ASP 92 -0.075 -5.940 -13.919 498 H TYR 93 HN TYR 93 1.373 -8.678 -13.118 499 HA TYR 93 HA TYR 93 3.500 -6.962 -12.699 500 1HB TYR 93 HB2 TYR 93 2.593 -9.315 -11.522 501 2HB TYR 93 HB1 TYR 93 4.246 -9.676 -12.016 502 HD1 TYR 93 HD1 TYR 93 2.260 -7.063 -10.248 503 HD2 TYR 93 HD2 TYR 93 6.007 -9.030 -10.639 504 HE1 TYR 93 HE1 TYR 93 3.105 -5.820 -8.302 505 HE2 TYR 93 HE2 TYR 93 6.865 -7.798 -8.691 506 HH TYR 93 HH TYR 93 4.836 -5.997 -6.614 507 H HIS 94 HN HIS 94 5.591 -6.828 -13.352 508 HA HIS 94 HA HIS 94 6.208 -7.618 -15.969 509 1HB HIS 94 HB2 HIS 94 7.348 -5.962 -13.975 510 2HB HIS 94 HB1 HIS 94 8.612 -7.062 -14.513 511 HD1 HIS 94 HD1 HIS 94 7.378 -7.123 -17.522 512 HD2 HIS 94 HD2 HIS 94 8.541 -3.803 -15.309 513 HE1 HIS 94 HE1 HIS 94 7.877 -5.330 -19.212 514 HE2 HIS 94 HE2 HIS 94 8.653 -3.355 -17.854 515 H VAL 95 HN VAL 95 6.546 -9.337 -12.998 516 HA VAL 95 HA VAL 95 8.501 -11.157 -14.183 517 HB VAL 95 HB VAL 95 8.898 -10.338 -11.886 518 1HG1 VAL 95 HG11 VAL 95 7.381 -10.466 -10.279 519 2HG1 VAL 95 HG12 VAL 95 7.036 -12.162 -10.627 520 3HG1 VAL 95 HG13 VAL 95 6.222 -10.886 -11.538 521 1HG2 VAL 95 HG21 VAL 95 9.221 -12.702 -10.912 522 2HG2 VAL 95 HG22 VAL 95 10.063 -12.285 -12.405 523 3HG2 VAL 95 HG23 VAL 95 8.596 -13.263 -12.462 524 H LYS 96 HN LYS 96 8.039 -13.093 -14.849 525 HA LYS 96 HA LYS 96 5.493 -13.951 -15.511 526 1HB LYS 96 HB2 LYS 96 7.612 -14.828 -16.475 527 2HB LYS 96 HB1 LYS 96 7.862 -15.752 -15.000 528 1HG LYS 96 HG2 LYS 96 6.565 -17.390 -15.733 529 2HG LYS 96 HG1 LYS 96 5.242 -16.268 -16.053 530 1HD LYS 96 HD2 LYS 96 6.492 -15.662 -18.191 531 2HD LYS 96 HD1 LYS 96 7.478 -17.093 -17.886 532 1HE LYS 96 HE2 LYS 96 5.542 -18.513 -17.982 533 2HE LYS 96 HE1 LYS 96 4.470 -17.118 -18.088 534 1HZ LYS 96 HZ1 LYS 96 4.607 -17.574 -20.275 535 2HZ LYS 96 HZ2 LYS 96 6.095 -18.369 -20.147 536 3HZ LYS 96 HZ3 LYS 96 6.040 -16.679 -20.181 537 H GLU 97 HN GLU 97 7.411 -14.879 -12.676 538 HA GLU 97 HA GLU 97 5.638 -16.787 -11.683 539 1HB GLU 97 HB2 GLU 97 6.774 -16.265 -9.441 540 2HB GLU 97 HB1 GLU 97 7.762 -16.881 -10.758 541 1HG GLU 97 HG2 GLU 97 8.703 -14.768 -11.177 542 2HG GLU 97 HG1 GLU 97 7.495 -13.950 -10.188 543 H LEU 98 HN LEU 98 5.758 -13.303 -10.995 544 HA LEU 98 HA LEU 98 3.616 -13.548 -9.090 545 1HB LEU 98 HB2 LEU 98 5.189 -11.255 -10.150 546 2HB LEU 98 HB1 LEU 98 3.683 -10.952 -9.326 547 HG LEU 98 HG LEU 98 4.598 -11.243 -7.327 548 1HD1 LEU 98 HD11 LEU 98 6.120 -13.153 -6.759 549 2HD1 LEU 98 HD12 LEU 98 5.925 -13.702 -8.424 550 3HD1 LEU 98 HD13 LEU 98 4.523 -13.608 -7.356 551 1HD2 LEU 98 HD21 LEU 98 7.290 -11.541 -8.609 552 2HD2 LEU 98 HD22 LEU 98 6.865 -10.709 -7.109 553 3HD2 LEU 98 HD23 LEU 98 6.398 -10.022 -8.665 554 H GLN 99 HN GLN 99 3.138 -14.420 -11.810 555 HA GLN 99 HA GLN 99 1.178 -12.541 -12.809 556 1HB GLN 99 HB2 GLN 99 2.070 -15.280 -13.728 557 2HB GLN 99 HB1 GLN 99 0.739 -14.413 -14.480 558 1HG GLN 99 HG2 GLN 99 2.292 -12.568 -15.015 559 2HG GLN 99 HG1 GLN 99 3.611 -13.521 -14.345 560 1HE2 GLN 99 HE21 GLN 99 3.000 -16.023 -15.293 561 2HE2 GLN 99 HE22 GLN 99 3.125 -16.036 -17.015 562 H SER 100 HN SER 100 1.439 -15.579 -11.083 563 HA SER 100 HA SER 100 -1.361 -15.317 -10.238 564 1HB SER 100 HB2 SER 100 -0.385 -18.065 -10.880 565 2HB SER 100 HB1 SER 100 -2.026 -17.419 -10.908 566 HG SER 100 HG SER 100 -1.762 -16.870 -12.920 567 H LYS 101 HN LYS 101 0.471 -14.516 -8.515 568 HA LYS 101 HA LYS 101 0.970 -16.837 -6.769 569 1HB LYS 101 HB2 LYS 101 2.973 -15.633 -7.818 570 2HB LYS 101 HB1 LYS 101 2.619 -14.335 -6.686 571 1HG LYS 101 HG2 LYS 101 3.701 -15.401 -5.079 572 2HG LYS 101 HG1 LYS 101 2.646 -16.802 -5.262 573 1HD LYS 101 HD2 LYS 101 4.413 -17.940 -5.996 574 2HD LYS 101 HD1 LYS 101 4.402 -16.918 -7.434 575 1HE LYS 101 HE2 LYS 101 6.060 -15.528 -6.618 576 2HE LYS 101 HE1 LYS 101 5.732 -15.954 -4.939 577 1HZ LYS 101 HZ1 LYS 101 6.950 -17.866 -5.090 578 2HZ LYS 101 HZ2 LYS 101 7.818 -16.887 -6.161 579 3HZ LYS 101 HZ3 LYS 101 6.726 -18.032 -6.759 580 HA PRO 102 HA PRO 102 -1.755 -14.426 -4.028 581 1HB PRO 102 HB2 PRO 102 -2.287 -16.466 -2.338 582 2HB PRO 102 HB1 PRO 102 -3.104 -16.302 -3.897 583 1HG PRO 102 HG2 PRO 102 -0.779 -18.037 -3.153 584 2HG PRO 102 HG1 PRO 102 -2.212 -18.442 -4.116 585 1HD PRO 102 HD2 PRO 102 0.177 -17.834 -5.242 586 2HD PRO 102 HD1 PRO 102 -1.372 -17.446 -6.016 587 H VAL 103 HN VAL 103 -0.056 -13.128 -3.229 588 HA VAL 103 HA VAL 103 1.703 -14.290 -1.193 589 HB VAL 103 HB VAL 103 2.679 -12.990 -3.062 590 1HG1 VAL 103 HG11 VAL 103 0.744 -11.008 -2.138 591 2HG1 VAL 103 HG12 VAL 103 1.549 -11.169 -3.697 592 3HG1 VAL 103 HG13 VAL 103 2.368 -10.357 -2.364 593 1HG2 VAL 103 HG21 VAL 103 3.184 -11.510 -0.505 594 2HG2 VAL 103 HG22 VAL 103 4.325 -11.962 -1.774 595 3HG2 VAL 103 HG23 VAL 103 3.664 -13.197 -0.702 596 H THR 104 HN THR 104 2.208 -13.045 0.721 597 HA THR 104 HA THR 104 -0.140 -11.685 1.836 598 HB THR 104 HB THR 104 1.994 -12.333 3.715 599 HG1 THR 104 HG1 THR 104 1.626 -14.576 3.655 600 1HG2 THR 104 HG21 THR 104 -0.007 -11.837 4.740 601 2HG2 THR 104 HG22 THR 104 0.017 -13.600 4.777 602 3HG2 THR 104 HG23 THR 104 -0.953 -12.757 3.570 603 H PHE 105 HN PHE 105 0.030 -9.596 1.410 604 HA PHE 105 HA PHE 105 2.638 -8.306 1.452 605 1HB PHE 105 HB2 PHE 105 -0.092 -7.542 0.491 606 2HB PHE 105 HB1 PHE 105 1.086 -6.283 0.820 607 HD1 PHE 105 HD1 PHE 105 3.498 -8.035 -0.142 608 HD2 PHE 105 HD2 PHE 105 -0.285 -7.027 -1.809 609 HE1 PHE 105 HE1 PHE 105 4.420 -8.301 -2.405 610 HE2 PHE 105 HE2 PHE 105 0.634 -7.299 -4.071 611 HZ PHE 105 HZ PHE 105 2.989 -7.929 -4.368 612 H GLU 106 HN GLU 106 3.385 -7.425 3.242 613 HA GLU 106 HA GLU 106 1.514 -6.474 5.298 614 1HB GLU 106 HB2 GLU 106 3.120 -7.799 6.380 615 2HB GLU 106 HB1 GLU 106 4.412 -7.271 5.314 616 1HG GLU 106 HG2 GLU 106 4.735 -5.290 6.469 617 2HG GLU 106 HG1 GLU 106 3.132 -5.343 7.203 618 H VAL 107 HN VAL 107 0.866 -4.660 4.064 619 HA VAL 107 HA VAL 107 2.901 -2.760 3.251 620 HB VAL 107 HB VAL 107 0.118 -1.894 2.947 621 1HG1 VAL 107 HG11 VAL 107 1.624 -2.233 0.524 622 2HG1 VAL 107 HG12 VAL 107 2.617 -1.463 1.763 623 3HG1 VAL 107 HG13 VAL 107 1.073 -0.752 1.302 624 1HG2 VAL 107 HG21 VAL 107 1.014 -4.536 1.862 625 2HG2 VAL 107 HG22 VAL 107 -0.079 -3.522 0.919 626 3HG2 VAL 107 HG23 VAL 107 -0.552 -4.069 2.528 627 H VAL 108 HN VAL 108 3.684 -1.421 4.728 628 HA VAL 108 HA VAL 108 2.092 -0.524 6.960 629 HB VAL 108 HB VAL 108 4.920 -0.516 6.122 630 1HG1 VAL 108 HG11 VAL 108 3.709 1.825 7.538 631 2HG1 VAL 108 HG12 VAL 108 5.011 1.781 6.349 632 3HG1 VAL 108 HG13 VAL 108 5.318 1.278 8.011 633 1HG2 VAL 108 HG21 VAL 108 3.526 -0.750 8.783 634 2HG2 VAL 108 HG22 VAL 108 5.262 -0.939 8.534 635 3HG2 VAL 108 HG23 VAL 108 4.136 -2.067 7.780 636 H LEU 109 HN LEU 109 0.493 0.638 5.939 637 HA LEU 109 HA LEU 109 0.598 2.348 3.856 638 1HB LEU 109 HB2 LEU 109 -1.301 1.533 5.566 639 2HB LEU 109 HB1 LEU 109 -1.187 3.230 5.997 640 HG LEU 109 HG LEU 109 -1.654 2.194 3.204 641 1HD1 LEU 109 HD11 LEU 109 -3.463 2.586 5.410 642 2HD1 LEU 109 HD12 LEU 109 -3.767 1.914 3.808 643 3HD1 LEU 109 HD13 LEU 109 -3.862 3.656 4.065 644 1HD2 LEU 109 HD21 LEU 109 -1.485 4.949 4.383 645 2HD2 LEU 109 HD22 LEU 109 -2.298 4.625 2.853 646 3HD2 LEU 109 HD23 LEU 109 -0.578 4.272 3.030 647 H LYS 110 HN LYS 110 2.739 3.506 4.134 648 HA LYS 110 HA LYS 110 2.398 5.916 5.795 649 1HB LYS 110 HB2 LYS 110 4.694 4.269 5.158 650 2HB LYS 110 HB1 LYS 110 4.964 5.927 4.637 651 1HG LYS 110 HG2 LYS 110 4.604 6.755 6.846 652 2HG LYS 110 HG1 LYS 110 4.076 5.168 7.408 653 1HD LYS 110 HD2 LYS 110 6.291 4.264 7.052 654 2HD LYS 110 HD1 LYS 110 6.834 5.791 6.355 655 1HE LYS 110 HE2 LYS 110 7.604 5.648 8.630 656 2HE LYS 110 HE1 LYS 110 6.365 6.898 8.518 657 1HZ LYS 110 HZ1 LYS 110 4.962 4.648 9.123 658 2HZ LYS 110 HZ2 LYS 110 5.414 5.852 10.220 659 3HZ LYS 110 HZ3 LYS 110 6.372 4.471 10.040 660 H ALA 111 HN ALA 111 2.091 7.884 4.647 661 HA ALA 111 HA ALA 111 2.431 7.685 1.737 662 1HB ALA 111 HB1 ALA 111 0.020 8.982 2.912 663 2HB ALA 111 HB2 ALA 111 0.082 7.261 2.531 664 3HB ALA 111 HB3 ALA 111 0.311 8.457 1.255 665 H ILE 112 HN ILE 112 3.352 9.244 0.774 666 HA ILE 112 HA ILE 112 3.647 11.880 2.063 667 HB ILE 112 HB ILE 112 5.359 10.535 -0.031 668 1HG1 ILE 112 HG12 ILE 112 6.282 11.436 2.675 669 2HG1 ILE 112 HG11 ILE 112 5.432 9.904 2.514 670 1HG2 ILE 112 HG21 ILE 112 5.751 12.671 -0.651 671 2HG2 ILE 112 HG22 ILE 112 6.807 12.660 0.762 672 3HG2 ILE 112 HG23 ILE 112 5.182 13.334 0.881 673 1HD1 ILE 112 HD11 ILE 112 7.845 10.575 0.867 674 2HD1 ILE 112 HD12 ILE 112 7.117 8.995 1.157 675 3HD1 ILE 112 HD13 ILE 112 7.959 9.831 2.462 676 H LYS 113 HN LYS 113 2.640 13.645 0.949 677 HA LYS 113 HA LYS 113 1.468 12.985 -1.641 678 1HB LYS 113 HB2 LYS 113 0.058 14.961 -1.284 679 2HB LYS 113 HB1 LYS 113 -0.051 13.846 0.071 680 1HG LYS 113 HG2 LYS 113 1.323 15.236 1.428 681 2HG LYS 113 HG1 LYS 113 1.734 16.267 0.056 682 1HD LYS 113 HD2 LYS 113 -1.142 15.959 0.706 683 2HD LYS 113 HD1 LYS 113 -0.160 16.906 1.825 684 1HE LYS 113 HE2 LYS 113 -0.466 18.631 0.449 685 2HE LYS 113 HE1 LYS 113 0.619 17.810 -0.673 686 1HZ LYS 113 HZ1 LYS 113 -2.257 18.141 -0.786 687 2HZ LYS 113 HZ2 LYS 113 -1.701 16.602 -1.210 688 3HZ LYS 113 HZ3 LYS 113 -1.136 17.962 -2.041 Start of MODEL 11 1 H LYS 29 HN LYS 29 -5.727 12.367 2.711 2 HA LYS 29 HA LYS 29 -6.213 10.731 1.204 3 1HB LYS 29 HB2 LYS 29 -8.429 11.974 1.207 4 2HB LYS 29 HB1 LYS 29 -7.882 12.775 -0.259 5 1HG LYS 29 HG2 LYS 29 -8.425 11.030 -1.518 6 2HG LYS 29 HG1 LYS 29 -7.582 9.907 -0.450 7 1HD LYS 29 HD2 LYS 29 -9.833 9.223 -0.412 8 2HD LYS 29 HD1 LYS 29 -9.596 10.111 1.094 9 1HE LYS 29 HE2 LYS 29 -10.367 12.088 -0.636 10 2HE LYS 29 HE1 LYS 29 -11.313 10.710 -1.198 11 1HZ LYS 29 HZ1 LYS 29 -11.446 12.147 1.342 12 2HZ LYS 29 HZ2 LYS 29 -11.746 10.483 1.379 13 3HZ LYS 29 HZ3 LYS 29 -12.693 11.491 0.404 14 H LEU 30 HN LEU 30 -4.246 10.398 0.258 15 HA LEU 30 HA LEU 30 -3.299 12.164 -1.841 16 1HB LEU 30 HB2 LEU 30 -1.695 11.257 -0.255 17 2HB LEU 30 HB1 LEU 30 -2.157 9.621 -0.682 18 HG LEU 30 HG LEU 30 -1.403 10.619 -3.112 19 1HD1 LEU 30 HD11 LEU 30 0.472 11.788 -1.061 20 2HD1 LEU 30 HD12 LEU 30 -0.631 12.709 -2.084 21 3HD1 LEU 30 HD13 LEU 30 0.693 11.799 -2.811 22 1HD2 LEU 30 HD21 LEU 30 0.031 9.067 -0.994 23 2HD2 LEU 30 HD22 LEU 30 0.829 9.451 -2.520 24 3HD2 LEU 30 HD23 LEU 30 -0.660 8.506 -2.517 25 H ALA 31 HN ALA 31 -4.898 11.866 -3.446 26 HA ALA 31 HA ALA 31 -5.425 9.220 -4.451 27 1HB ALA 31 HB1 ALA 31 -6.582 10.803 -6.283 28 2HB ALA 31 HB2 ALA 31 -6.483 11.928 -4.929 29 3HB ALA 31 HB3 ALA 31 -7.324 10.388 -4.736 30 H ASN 32 HN ASN 32 -5.582 9.480 -7.131 31 HA ASN 32 HA ASN 32 -3.147 8.720 -8.083 32 1HB ASN 32 HB2 ASN 32 -4.002 9.135 -10.332 33 2HB ASN 32 HB1 ASN 32 -5.250 8.432 -9.308 34 1HD2 ASN 32 HD21 ASN 32 -7.111 9.497 -9.023 35 2HD2 ASN 32 HD22 ASN 32 -7.456 11.065 -9.661 36 H GLY 33 HN GLY 33 -2.199 9.948 -10.169 37 1HA GLY 33 HA2 GLY 33 -0.735 11.543 -10.877 38 2HA GLY 33 HA1 GLY 33 -1.856 12.704 -10.205 39 H ASP 34 HN ASP 34 -0.629 10.540 -7.880 40 HA ASP 34 HA ASP 34 1.428 12.493 -7.072 41 1HB ASP 34 HB2 ASP 34 -0.785 11.248 -5.573 42 2HB ASP 34 HB1 ASP 34 0.762 11.284 -4.732 43 H ILE 35 HN ILE 35 3.081 11.495 -5.532 44 HA ILE 35 HA ILE 35 3.831 8.831 -6.545 45 HB ILE 35 HB ILE 35 5.560 10.898 -5.217 46 1HG1 ILE 35 HG12 ILE 35 6.592 11.121 -7.478 47 2HG1 ILE 35 HG11 ILE 35 5.275 10.141 -8.116 48 1HG2 ILE 35 HG21 ILE 35 6.610 8.581 -6.740 49 2HG2 ILE 35 HG22 ILE 35 6.105 8.371 -5.064 50 3HG2 ILE 35 HG23 ILE 35 7.371 9.530 -5.464 51 1HD1 ILE 35 HD11 ILE 35 5.275 12.819 -8.085 52 2HD1 ILE 35 HD12 ILE 35 4.483 12.498 -6.542 53 3HD1 ILE 35 HD13 ILE 35 3.807 11.843 -8.034 54 H ALA 36 HN ALA 36 3.448 7.156 -5.063 55 HA ALA 36 HA ALA 36 3.201 7.920 -2.254 56 1HB ALA 36 HB1 ALA 36 1.625 6.325 -2.019 57 2HB ALA 36 HB2 ALA 36 2.388 5.238 -3.179 58 3HB ALA 36 HB3 ALA 36 1.446 6.615 -3.750 59 H ILE 37 HN ILE 37 5.212 7.728 -1.300 60 HA ILE 37 HA ILE 37 6.923 5.475 -1.904 61 HB ILE 37 HB ILE 37 8.279 7.269 -1.418 62 1HG1 ILE 37 HG12 ILE 37 8.012 5.449 0.869 63 2HG1 ILE 37 HG11 ILE 37 9.441 5.943 -0.019 64 1HG2 ILE 37 HG21 ILE 37 7.904 8.926 0.345 65 2HG2 ILE 37 HG22 ILE 37 6.422 8.090 0.794 66 3HG2 ILE 37 HG23 ILE 37 6.565 8.837 -0.796 67 1HD1 ILE 37 HD11 ILE 37 9.660 7.910 1.293 68 2HD1 ILE 37 HD12 ILE 37 9.429 6.549 2.390 69 3HD1 ILE 37 HD13 ILE 37 8.091 7.645 2.051 70 H ILE 38 HN ILE 38 5.455 3.861 -1.401 71 HA ILE 38 HA ILE 38 4.539 3.634 1.346 72 HB ILE 38 HB ILE 38 3.314 1.631 0.429 73 1HG1 ILE 38 HG12 ILE 38 3.496 2.681 -2.299 74 2HG1 ILE 38 HG11 ILE 38 4.997 1.959 -1.728 75 1HG2 ILE 38 HG21 ILE 38 1.898 3.357 -1.081 76 2HG2 ILE 38 HG22 ILE 38 2.883 4.480 -0.144 77 3HG2 ILE 38 HG23 ILE 38 1.846 3.316 0.681 78 1HD1 ILE 38 HD11 ILE 38 2.314 0.681 -2.064 79 2HD1 ILE 38 HD12 ILE 38 3.569 -0.041 -1.059 80 3HD1 ILE 38 HD13 ILE 38 3.860 0.223 -2.777 81 H ASP 39 HN ASP 39 5.406 2.350 2.831 82 HA ASP 39 HA ASP 39 7.504 0.432 2.124 83 1HB ASP 39 HB2 ASP 39 7.866 1.884 4.089 84 2HB ASP 39 HB1 ASP 39 6.378 1.276 4.802 85 H PHE 40 HN PHE 40 6.198 -0.995 1.022 86 HA PHE 40 HA PHE 40 4.091 -2.252 2.597 87 1HB PHE 40 HB2 PHE 40 3.089 -3.031 0.617 88 2HB PHE 40 HB1 PHE 40 3.697 -1.439 0.206 89 HD1 PHE 40 HD1 PHE 40 5.193 -1.125 -1.557 90 HD2 PHE 40 HD2 PHE 40 4.395 -5.056 -0.134 91 HE1 PHE 40 HE1 PHE 40 6.369 -2.064 -3.503 92 HE2 PHE 40 HE2 PHE 40 5.576 -6.001 -2.075 93 HZ PHE 40 HZ PHE 40 6.565 -4.503 -3.763 94 H THR 41 HN THR 41 4.461 -4.026 3.682 95 HA THR 41 HA THR 41 6.763 -5.686 3.028 96 HB THR 41 HB THR 41 5.077 -6.385 5.348 97 HG1 THR 41 HG1 THR 41 5.875 -4.600 6.535 98 1HG2 THR 41 HG21 THR 41 7.969 -6.195 4.716 99 2HG2 THR 41 HG22 THR 41 7.056 -7.499 5.475 100 3HG2 THR 41 HG23 THR 41 7.457 -6.050 6.397 101 H GLY 42 HN GLY 42 6.534 -7.453 1.820 102 1HA GLY 42 HA2 GLY 42 4.027 -8.551 1.047 103 2HA GLY 42 HA1 GLY 42 5.617 -9.226 0.725 104 H ILE 43 HN ILE 43 3.132 -8.955 3.245 105 HA ILE 43 HA ILE 43 4.242 -11.246 4.644 106 HB ILE 43 HB ILE 43 1.549 -10.415 5.417 107 1HG1 ILE 43 HG12 ILE 43 3.642 -8.390 5.038 108 2HG1 ILE 43 HG11 ILE 43 1.901 -8.193 5.229 109 1HG2 ILE 43 HG21 ILE 43 2.596 -10.455 7.663 110 2HG2 ILE 43 HG22 ILE 43 4.138 -10.812 6.888 111 3HG2 ILE 43 HG23 ILE 43 2.799 -11.949 6.752 112 1HD1 ILE 43 HD11 ILE 43 2.138 -8.386 7.633 113 2HD1 ILE 43 HD12 ILE 43 3.172 -7.101 7.007 114 3HD1 ILE 43 HD13 ILE 43 3.870 -8.658 7.455 115 H VAL 44 HN VAL 44 3.751 -13.268 4.105 116 HA VAL 44 HA VAL 44 1.440 -13.763 2.399 117 HB VAL 44 HB VAL 44 3.577 -14.721 1.707 118 1HG1 VAL 44 HG11 VAL 44 4.881 -16.115 2.962 119 2HG1 VAL 44 HG12 VAL 44 3.521 -16.724 3.902 120 3HG1 VAL 44 HG13 VAL 44 4.187 -15.130 4.248 121 1HG2 VAL 44 HG21 VAL 44 1.640 -15.872 0.950 122 2HG2 VAL 44 HG22 VAL 44 1.441 -16.689 2.500 123 3HG2 VAL 44 HG23 VAL 44 2.803 -17.098 1.456 124 H ASP 45 HN ASP 45 -0.021 -13.318 4.255 125 HA ASP 45 HA ASP 45 -1.455 -13.994 5.891 126 1HB ASP 45 HB2 ASP 45 -1.560 -15.868 4.023 127 2HB ASP 45 HB1 ASP 45 -0.867 -16.860 5.303 128 H ASN 46 HN ASN 46 0.187 -13.212 7.451 129 HA ASN 46 HA ASN 46 0.932 -13.531 9.613 130 1HB ASN 46 HB2 ASN 46 -0.255 -15.930 9.294 131 2HB ASN 46 HB1 ASN 46 1.432 -16.431 9.382 132 1HD2 ASN 46 HD21 ASN 46 0.568 -17.496 11.343 133 2HD2 ASN 46 HD22 ASN 46 0.575 -16.597 12.819 134 H LYS 47 HN LYS 47 2.437 -15.245 6.936 135 HA LYS 47 HA LYS 47 5.005 -15.017 8.242 136 1HB LYS 47 HB2 LYS 47 3.917 -16.558 6.030 137 2HB LYS 47 HB1 LYS 47 5.472 -15.847 5.622 138 1HG LYS 47 HG2 LYS 47 6.311 -16.823 7.819 139 2HG LYS 47 HG1 LYS 47 4.821 -17.768 7.829 140 1HD LYS 47 HD2 LYS 47 5.547 -18.389 5.395 141 2HD LYS 47 HD1 LYS 47 7.148 -17.906 5.960 142 1HE LYS 47 HE2 LYS 47 5.401 -19.925 7.357 143 2HE LYS 47 HE1 LYS 47 6.652 -20.346 6.188 144 1HZ LYS 47 HZ1 LYS 47 7.413 -18.633 8.431 145 2HZ LYS 47 HZ2 LYS 47 8.306 -19.827 7.632 146 3HZ LYS 47 HZ3 LYS 47 7.127 -20.268 8.762 147 H LYS 48 HN LYS 48 6.583 -13.582 7.758 148 HA LYS 48 HA LYS 48 5.955 -11.569 5.691 149 1HB LYS 48 HB2 LYS 48 7.431 -10.051 7.167 150 2HB LYS 48 HB1 LYS 48 5.794 -10.390 7.708 151 1HG LYS 48 HG2 LYS 48 7.795 -12.284 8.690 152 2HG LYS 48 HG1 LYS 48 8.032 -10.622 9.234 153 1HD LYS 48 HD2 LYS 48 5.661 -10.585 9.976 154 2HD LYS 48 HD1 LYS 48 5.538 -12.292 9.544 155 1HE LYS 48 HE2 LYS 48 6.093 -12.600 11.708 156 2HE LYS 48 HE1 LYS 48 7.731 -12.358 11.102 157 1HZ LYS 48 HZ1 LYS 48 7.393 -10.989 13.016 158 2HZ LYS 48 HZ2 LYS 48 5.987 -10.314 12.362 159 3HZ LYS 48 HZ3 LYS 48 7.489 -9.981 11.660 160 H LEU 49 HN LEU 49 7.160 -12.573 4.062 161 HA LEU 49 HA LEU 49 9.964 -13.161 4.552 162 1HB LEU 49 HB2 LEU 49 9.922 -13.852 2.107 163 2HB LEU 49 HB1 LEU 49 8.973 -14.807 3.225 164 HG LEU 49 HG LEU 49 7.986 -14.195 0.912 165 1HD1 LEU 49 HD11 LEU 49 5.745 -13.609 2.389 166 2HD1 LEU 49 HD12 LEU 49 6.777 -14.457 3.540 167 3HD1 LEU 49 HD13 LEU 49 6.350 -15.221 2.009 168 1HD2 LEU 49 HD21 LEU 49 8.388 -11.834 0.904 169 2HD2 LEU 49 HD22 LEU 49 7.516 -11.631 2.422 170 3HD2 LEU 49 HD23 LEU 49 6.647 -12.105 0.963 171 H ALA 50 HN ALA 50 11.335 -12.537 2.393 172 HA ALA 50 HA ALA 50 11.346 -9.621 2.435 173 1HB ALA 50 HB1 ALA 50 13.419 -11.272 1.055 174 2HB ALA 50 HB2 ALA 50 13.391 -11.169 2.815 175 3HB ALA 50 HB3 ALA 50 13.579 -9.706 1.849 176 H SER 51 HN SER 51 10.268 -12.122 0.409 177 HA SER 51 HA SER 51 10.765 -11.331 -2.158 178 1HB SER 51 HB2 SER 51 8.211 -12.437 -0.987 179 2HB SER 51 HB1 SER 51 8.493 -12.270 -2.719 180 HG SER 51 HG SER 51 9.047 -14.355 -1.528 181 H ALA 52 HN ALA 52 7.559 -10.554 -0.878 182 HA ALA 52 HA ALA 52 7.552 -8.186 -2.520 183 1HB ALA 52 HB1 ALA 52 5.197 -8.277 -0.959 184 2HB ALA 52 HB2 ALA 52 5.574 -9.933 -1.439 185 3HB ALA 52 HB3 ALA 52 5.396 -8.679 -2.666 186 H SER 53 HN SER 53 9.285 -8.337 -0.069 187 HA SER 53 HA SER 53 8.090 -6.454 1.774 188 1HB SER 53 HB2 SER 53 10.019 -6.796 3.138 189 2HB SER 53 HB1 SER 53 9.587 -8.373 2.477 190 HG SER 53 HG SER 53 11.727 -6.680 1.788 191 H ALA 54 HN ALA 54 7.855 -4.510 0.757 192 HA ALA 54 HA ALA 54 10.328 -3.206 -0.160 193 1HB ALA 54 HB1 ALA 54 7.600 -2.368 -1.035 194 2HB ALA 54 HB2 ALA 54 8.504 -3.620 -1.886 195 3HB ALA 54 HB3 ALA 54 9.158 -1.985 -1.762 196 H GLN 55 HN GLN 55 10.946 -1.407 0.736 197 HA GLN 55 HA GLN 55 9.408 -0.365 2.966 198 1HB GLN 55 HB2 GLN 55 12.175 0.420 2.085 199 2HB GLN 55 HB1 GLN 55 11.430 0.709 3.652 200 1HG GLN 55 HG2 GLN 55 11.485 -1.617 4.183 201 2HG GLN 55 HG1 GLN 55 12.025 -2.025 2.555 202 1HE2 GLN 55 HE21 GLN 55 12.956 -1.152 5.694 203 2HE2 GLN 55 HE22 GLN 55 14.654 -1.010 5.414 204 H ASN 56 HN ASN 56 11.124 2.098 2.391 205 HA ASN 56 HA ASN 56 9.091 3.791 1.420 206 1HB ASN 56 HB2 ASN 56 11.001 5.461 1.126 207 2HB ASN 56 HB1 ASN 56 10.776 4.819 2.750 208 1HD2 ASN 56 HD21 ASN 56 12.298 3.436 3.612 209 2HD2 ASN 56 HD22 ASN 56 13.858 3.213 2.904 210 H TYR 57 HN TYR 57 8.499 2.456 -0.439 211 HA TYR 57 HA TYR 57 10.305 2.605 -2.724 212 1HB TYR 57 HB2 TYR 57 8.995 0.503 -2.103 213 2HB TYR 57 HB1 TYR 57 7.557 1.355 -2.654 214 HD1 TYR 57 HD1 TYR 57 7.452 2.111 -5.064 215 HD2 TYR 57 HD2 TYR 57 10.436 -0.561 -3.631 216 HE1 TYR 57 HE1 TYR 57 7.906 1.389 -7.370 217 HE2 TYR 57 HE2 TYR 57 10.898 -1.290 -5.932 218 HH TYR 57 HH TYR 57 10.631 -0.530 -8.194 219 H GLU 58 HN GLU 58 10.302 4.603 -3.544 220 HA GLU 58 HA GLU 58 8.128 6.364 -3.602 221 1HB GLU 58 HB2 GLU 58 10.328 6.378 -5.658 222 2HB GLU 58 HB1 GLU 58 9.435 7.745 -5.007 223 1HG GLU 58 HG2 GLU 58 10.974 8.053 -3.458 224 2HG GLU 58 HG1 GLU 58 10.744 6.411 -2.861 225 H LEU 59 HN LEU 59 6.345 5.203 -4.287 226 HA LEU 59 HA LEU 59 6.316 4.213 -7.033 227 1HB LEU 59 HB2 LEU 59 5.343 2.789 -5.297 228 2HB LEU 59 HB1 LEU 59 4.235 4.069 -4.847 229 HG LEU 59 HG LEU 59 3.010 3.847 -6.900 230 1HD1 LEU 59 HD11 LEU 59 4.276 1.551 -8.068 231 2HD1 LEU 59 HD12 LEU 59 5.435 2.870 -7.940 232 3HD1 LEU 59 HD13 LEU 59 3.913 3.115 -8.795 233 1HD2 LEU 59 HD21 LEU 59 2.135 2.304 -5.466 234 2HD2 LEU 59 HD22 LEU 59 3.621 1.356 -5.397 235 3HD2 LEU 59 HD23 LEU 59 2.588 1.275 -6.825 236 H THR 60 HN THR 60 4.647 4.903 -8.505 237 HA THR 60 HA THR 60 3.760 7.666 -7.976 238 HB THR 60 HB THR 60 3.720 6.756 -10.777 239 HG1 THR 60 HG1 THR 60 6.209 7.023 -9.440 240 1HG2 THR 60 HG21 THR 60 3.606 9.157 -9.689 241 2HG2 THR 60 HG22 THR 60 4.338 8.880 -11.270 242 3HG2 THR 60 HG23 THR 60 5.360 9.040 -9.842 243 H ILE 61 HN ILE 61 1.585 7.644 -7.464 244 HA ILE 61 HA ILE 61 -0.044 5.469 -8.446 245 HB ILE 61 HB ILE 61 -1.878 6.729 -7.178 246 1HG1 ILE 61 HG12 ILE 61 0.533 8.108 -5.979 247 2HG1 ILE 61 HG11 ILE 61 -0.640 8.886 -7.036 248 1HG2 ILE 61 HG21 ILE 61 -1.306 4.874 -6.037 249 2HG2 ILE 61 HG22 ILE 61 -0.551 6.029 -4.936 250 3HG2 ILE 61 HG23 ILE 61 0.421 5.206 -6.156 251 1HD1 ILE 61 HD11 ILE 61 -1.150 9.452 -4.779 252 2HD1 ILE 61 HD12 ILE 61 -1.124 7.756 -4.295 253 3HD1 ILE 61 HD13 ILE 61 -2.396 8.349 -5.363 254 H GLY 62 HN GLY 62 -0.853 5.555 -10.375 255 1HA GLY 62 HA2 GLY 62 -2.545 6.646 -11.786 256 2HA GLY 62 HA1 GLY 62 -1.716 8.162 -11.458 257 H SER 63 HN SER 63 0.213 5.346 -11.885 258 HA SER 63 HA SER 63 1.121 6.363 -14.481 259 1HB SER 63 HB2 SER 63 3.172 4.973 -14.004 260 2HB SER 63 HB1 SER 63 2.906 6.304 -12.878 261 HG SER 63 HG SER 63 3.084 3.685 -12.363 262 H ASN 64 HN ASN 64 -0.333 3.657 -12.884 263 HA ASN 64 HA ASN 64 -1.378 1.821 -13.725 264 1HB ASN 64 HB2 ASN 64 -1.131 3.484 -16.004 265 2HB ASN 64 HB1 ASN 64 -0.652 1.864 -16.502 266 1HD2 ASN 64 HD21 ASN 64 -3.192 3.911 -16.203 267 2HD2 ASN 64 HD22 ASN 64 -4.485 2.766 -16.143 268 H SER 65 HN SER 65 1.532 2.000 -12.989 269 HA SER 65 HA SER 65 2.644 -0.179 -14.589 270 1HB SER 65 HB2 SER 65 3.927 1.483 -12.406 271 2HB SER 65 HB1 SER 65 4.752 0.290 -13.408 272 HG SER 65 HG SER 65 3.378 2.508 -14.501 273 H PHE 66 HN PHE 66 1.218 0.407 -11.495 274 HA PHE 66 HA PHE 66 2.150 -2.169 -10.471 275 1HB PHE 66 HB2 PHE 66 1.598 0.291 -9.246 276 2HB PHE 66 HB1 PHE 66 0.305 -0.784 -8.724 277 HD1 PHE 66 HD1 PHE 66 3.947 -0.268 -8.759 278 HD2 PHE 66 HD2 PHE 66 0.720 -2.579 -7.224 279 HE1 PHE 66 HE1 PHE 66 5.461 -1.273 -7.100 280 HE2 PHE 66 HE2 PHE 66 2.228 -3.587 -5.561 281 HZ PHE 66 HZ PHE 66 4.602 -2.934 -5.498 282 H ILE 67 HN ILE 67 0.573 -3.663 -9.509 283 HA ILE 67 HA ILE 67 -1.437 -4.382 -11.306 284 HB ILE 67 HB ILE 67 -2.227 -5.956 -9.598 285 1HG1 ILE 67 HG12 ILE 67 -0.239 -4.564 -7.785 286 2HG1 ILE 67 HG11 ILE 67 -1.992 -4.522 -7.620 287 1HG2 ILE 67 HG21 ILE 67 0.781 -5.814 -9.722 288 2HG2 ILE 67 HG22 ILE 67 -0.261 -6.476 -10.982 289 3HG2 ILE 67 HG23 ILE 67 -0.191 -7.249 -9.398 290 1HD1 ILE 67 HD11 ILE 67 -2.071 -6.539 -6.645 291 2HD1 ILE 67 HD12 ILE 67 -0.373 -6.220 -6.293 292 3HD1 ILE 67 HD13 ILE 67 -0.813 -7.210 -7.684 293 H LYS 68 HN LYS 68 -3.777 -4.553 -10.885 294 HA LYS 68 HA LYS 68 -4.819 -2.002 -10.057 295 1HB LYS 68 HB2 LYS 68 -6.084 -4.498 -11.175 296 2HB LYS 68 HB1 LYS 68 -7.039 -3.113 -10.668 297 1HG LYS 68 HG2 LYS 68 -4.852 -2.984 -12.729 298 2HG LYS 68 HG1 LYS 68 -6.563 -3.199 -13.105 299 1HD LYS 68 HD2 LYS 68 -6.674 -1.037 -11.482 300 2HD LYS 68 HD1 LYS 68 -5.098 -0.796 -12.237 301 1HE LYS 68 HE2 LYS 68 -7.532 -1.434 -13.869 302 2HE LYS 68 HE1 LYS 68 -7.167 0.219 -13.378 303 1HZ LYS 68 HZ1 LYS 68 -5.115 -1.414 -14.720 304 2HZ LYS 68 HZ2 LYS 68 -5.265 0.269 -14.659 305 3HZ LYS 68 HZ3 LYS 68 -6.310 -0.637 -15.632 306 H GLY 69 HN GLY 69 -5.419 -1.498 -8.053 307 1HA GLY 69 HA2 GLY 69 -6.949 -2.038 -6.212 308 2HA GLY 69 HA1 GLY 69 -6.332 -3.683 -6.287 309 H PHE 70 HN PHE 70 -3.577 -2.578 -6.754 310 HA PHE 70 HA PHE 70 -2.836 -2.408 -3.975 311 1HB PHE 70 HB2 PHE 70 -1.542 -3.746 -5.604 312 2HB PHE 70 HB1 PHE 70 -1.117 -2.271 -6.462 313 HD1 PHE 70 HD1 PHE 70 0.282 -0.550 -5.289 314 HD2 PHE 70 HD2 PHE 70 -0.334 -4.462 -3.737 315 HE1 PHE 70 HE1 PHE 70 2.250 -0.281 -3.845 316 HE2 PHE 70 HE2 PHE 70 1.634 -4.201 -2.288 317 HZ PHE 70 HZ PHE 70 2.929 -2.107 -2.338 318 H GLU 71 HN GLU 71 -1.586 -0.449 -6.670 319 HA GLU 71 HA GLU 71 -0.735 1.739 -5.288 320 1HB GLU 71 HB2 GLU 71 -1.663 1.251 -8.043 321 2HB GLU 71 HB1 GLU 71 -1.708 2.933 -7.537 322 1HG GLU 71 HG2 GLU 71 0.657 2.812 -6.930 323 2HG GLU 71 HG1 GLU 71 0.700 1.129 -7.454 324 H THR 72 HN THR 72 -4.033 1.032 -6.323 325 HA THR 72 HA THR 72 -5.179 3.523 -5.668 326 HB THR 72 HB THR 72 -7.334 2.123 -5.569 327 HG1 THR 72 HG1 THR 72 -7.073 0.060 -5.565 328 1HG2 THR 72 HG21 THR 72 -7.595 2.351 -7.779 329 2HG2 THR 72 HG22 THR 72 -6.105 1.483 -8.153 330 3HG2 THR 72 HG23 THR 72 -6.042 3.182 -7.683 331 H GLY 73 HN GLY 73 -5.101 0.465 -3.825 332 1HA GLY 73 HA2 GLY 73 -6.547 1.289 -1.604 333 2HA GLY 73 HA1 GLY 73 -5.277 0.077 -1.563 334 H LEU 74 HN LEU 74 -3.352 2.206 -2.546 335 HA LEU 74 HA LEU 74 -2.699 3.208 0.111 336 1HB LEU 74 HB2 LEU 74 -1.190 3.194 -2.503 337 2HB LEU 74 HB1 LEU 74 -0.585 3.983 -1.062 338 HG LEU 74 HG LEU 74 0.506 1.905 -1.133 339 1HD1 LEU 74 HD11 LEU 74 -0.967 0.563 0.689 340 2HD1 LEU 74 HD12 LEU 74 -1.642 2.179 0.855 341 3HD1 LEU 74 HD13 LEU 74 0.085 1.924 1.071 342 1HD2 LEU 74 HD21 LEU 74 -0.611 -0.222 -1.481 343 2HD2 LEU 74 HD22 LEU 74 -0.916 0.868 -2.832 344 3HD2 LEU 74 HD23 LEU 74 -2.166 0.598 -1.618 345 H ILE 75 HN ILE 75 -3.739 4.381 -3.009 346 HA ILE 75 HA ILE 75 -3.218 7.127 -2.531 347 HB ILE 75 HB ILE 75 -4.363 7.631 -4.499 348 1HG1 ILE 75 HG12 ILE 75 -5.778 5.391 -5.367 349 2HG1 ILE 75 HG11 ILE 75 -6.170 5.510 -3.656 350 1HG2 ILE 75 HG21 ILE 75 -3.027 6.510 -5.853 351 2HG2 ILE 75 HG22 ILE 75 -3.839 4.984 -5.521 352 3HG2 ILE 75 HG23 ILE 75 -2.551 5.548 -4.457 353 1HD1 ILE 75 HD11 ILE 75 -6.834 7.859 -4.014 354 2HD1 ILE 75 HD12 ILE 75 -7.799 6.709 -4.940 355 3HD1 ILE 75 HD13 ILE 75 -6.537 7.646 -5.739 356 H ALA 76 HN ALA 76 -5.812 5.064 -1.563 357 HA ALA 76 HA ALA 76 -7.657 7.222 -1.077 358 1HB ALA 76 HB1 ALA 76 -8.188 4.604 0.167 359 2HB ALA 76 HB2 ALA 76 -8.027 4.607 -1.589 360 3HB ALA 76 HB3 ALA 76 -9.231 5.635 -0.812 361 H MET 77 HN MET 77 -5.037 5.925 0.660 362 HA MET 77 HA MET 77 -6.190 6.881 3.201 363 1HB MET 77 HB2 MET 77 -4.952 4.483 2.694 364 2HB MET 77 HB1 MET 77 -3.633 5.441 3.351 365 1HG MET 77 HG2 MET 77 -4.388 4.762 5.332 366 2HG MET 77 HG1 MET 77 -5.630 5.993 5.110 367 1HE MET 77 HE1 MET 77 -7.364 5.025 6.611 368 2HE MET 77 HE2 MET 77 -6.321 3.705 7.139 369 3HE MET 77 HE3 MET 77 -7.961 3.366 6.587 370 H LYS 78 HN LYS 78 -4.842 8.096 4.651 371 HA LYS 78 HA LYS 78 -3.472 10.213 3.333 372 1HB LYS 78 HB2 LYS 78 -4.634 9.823 5.838 373 2HB LYS 78 HB1 LYS 78 -2.923 10.023 6.186 374 1HG LYS 78 HG2 LYS 78 -3.818 11.990 4.280 375 2HG LYS 78 HG1 LYS 78 -4.806 12.025 5.741 376 1HD LYS 78 HD2 LYS 78 -2.192 11.779 6.667 377 2HD LYS 78 HD1 LYS 78 -2.083 12.920 5.325 378 1HE LYS 78 HE2 LYS 78 -3.956 14.201 6.359 379 2HE LYS 78 HE1 LYS 78 -3.866 13.119 7.747 380 1HZ LYS 78 HZ1 LYS 78 -2.626 15.292 7.926 381 2HZ LYS 78 HZ2 LYS 78 -1.528 14.668 6.801 382 3HZ LYS 78 HZ3 LYS 78 -1.738 13.899 8.293 383 H VAL 79 HN VAL 79 -1.254 10.709 5.096 384 HA VAL 79 HA VAL 79 0.573 8.690 4.046 385 HB VAL 79 HB VAL 79 1.082 11.440 5.204 386 1HG1 VAL 79 HG11 VAL 79 2.992 9.415 4.064 387 2HG1 VAL 79 HG12 VAL 79 2.981 10.075 5.697 388 3HG1 VAL 79 HG13 VAL 79 3.396 11.109 4.330 389 1HG2 VAL 79 HG21 VAL 79 0.459 10.477 2.539 390 2HG2 VAL 79 HG22 VAL 79 1.980 11.368 2.588 391 3HG2 VAL 79 HG23 VAL 79 0.496 12.125 3.166 392 H ASN 80 HN ASN 80 2.325 7.935 5.434 393 HA ASN 80 HA ASN 80 3.139 6.951 7.313 394 1HB ASN 80 HB2 ASN 80 2.779 9.512 8.021 395 2HB ASN 80 HB1 ASN 80 1.653 8.755 9.145 396 1HD2 ASN 80 HD21 ASN 80 2.450 7.292 10.686 397 2HD2 ASN 80 HD22 ASN 80 4.118 7.280 11.138 398 H GLN 81 HN GLN 81 0.463 6.260 6.180 399 HA GLN 81 HA GLN 81 -0.875 5.200 8.575 400 1HB GLN 81 HB2 GLN 81 -1.802 5.619 5.740 401 2HB GLN 81 HB1 GLN 81 -2.713 4.645 6.885 402 1HG GLN 81 HG2 GLN 81 -1.947 7.508 7.387 403 2HG GLN 81 HG1 GLN 81 -3.468 7.019 6.640 404 1HE2 GLN 81 HE21 GLN 81 -5.097 6.971 7.994 405 2HE2 GLN 81 HE22 GLN 81 -5.022 6.586 9.677 406 H LYS 82 HN LYS 82 -0.714 3.113 9.087 407 HA LYS 82 HA LYS 82 0.669 1.317 7.267 408 1HB LYS 82 HB2 LYS 82 0.950 1.589 9.890 409 2HB LYS 82 HB1 LYS 82 -0.360 0.417 9.919 410 1HG LYS 82 HG2 LYS 82 1.076 -1.226 9.572 411 2HG LYS 82 HG1 LYS 82 1.596 -0.478 8.061 412 1HD LYS 82 HD2 LYS 82 3.583 -0.526 9.205 413 2HD LYS 82 HD1 LYS 82 2.981 1.063 9.683 414 1HE LYS 82 HE2 LYS 82 1.874 -0.333 11.631 415 2HE LYS 82 HE1 LYS 82 3.181 -1.455 11.259 416 1HZ LYS 82 HZ1 LYS 82 3.280 1.121 12.550 417 2HZ LYS 82 HZ2 LYS 82 4.464 0.910 11.360 418 3HZ LYS 82 HZ3 LYS 82 4.356 -0.182 12.647 419 H LYS 83 HN LYS 83 -0.797 0.855 5.663 420 HA LYS 83 HA LYS 83 -3.370 -0.292 6.433 421 1HB LYS 83 HB2 LYS 83 -2.359 1.166 4.135 422 2HB LYS 83 HB1 LYS 83 -3.216 -0.291 3.651 423 1HG LYS 83 HG2 LYS 83 -4.390 1.681 5.584 424 2HG LYS 83 HG1 LYS 83 -4.567 1.848 3.836 425 1HD LYS 83 HD2 LYS 83 -5.225 -0.784 5.039 426 2HD LYS 83 HD1 LYS 83 -6.346 0.548 5.327 427 1HE LYS 83 HE2 LYS 83 -6.062 0.886 2.725 428 2HE LYS 83 HE1 LYS 83 -5.625 -0.821 2.785 429 1HZ LYS 83 HZ1 LYS 83 -8.111 0.220 4.010 430 2HZ LYS 83 HZ2 LYS 83 -7.717 -1.385 3.652 431 3HZ LYS 83 HZ3 LYS 83 -8.043 -0.296 2.400 432 H THR 84 HN THR 84 -2.880 -2.357 7.125 433 HA THR 84 HA THR 84 -1.257 -4.102 5.472 434 HB THR 84 HB THR 84 -2.817 -4.775 7.971 435 HG1 THR 84 HG1 THR 84 -0.085 -4.062 7.750 436 1HG2 THR 84 HG21 THR 84 -0.502 -6.283 7.885 437 2HG2 THR 84 HG22 THR 84 -1.125 -6.338 6.235 438 3HG2 THR 84 HG23 THR 84 -2.145 -6.847 7.581 439 H LEU 85 HN LEU 85 -2.738 -3.898 3.614 440 HA LEU 85 HA LEU 85 -5.294 -5.267 3.848 441 1HB LEU 85 HB2 LEU 85 -5.216 -3.226 2.552 442 2HB LEU 85 HB1 LEU 85 -3.946 -3.879 1.535 443 HG LEU 85 HG LEU 85 -6.551 -5.326 1.643 444 1HD1 LEU 85 HD11 LEU 85 -7.062 -3.763 -0.429 445 2HD1 LEU 85 HD12 LEU 85 -6.108 -2.616 0.512 446 3HD1 LEU 85 HD13 LEU 85 -7.563 -3.332 1.206 447 1HD2 LEU 85 HD21 LEU 85 -4.201 -5.660 0.258 448 2HD2 LEU 85 HD22 LEU 85 -5.234 -4.841 -0.912 449 3HD2 LEU 85 HD23 LEU 85 -5.762 -6.354 -0.177 450 H ALA 86 HN ALA 86 -5.812 -7.205 2.920 451 HA ALA 86 HA ALA 86 -3.586 -8.923 2.176 452 1HB ALA 86 HB1 ALA 86 -4.869 -10.667 2.823 453 2HB ALA 86 HB2 ALA 86 -6.333 -9.993 2.107 454 3HB ALA 86 HB3 ALA 86 -5.769 -9.411 3.673 455 H LEU 87 HN LEU 87 -3.096 -7.934 0.146 456 HA LEU 87 HA LEU 87 -5.108 -8.001 -1.934 457 1HB LEU 87 HB2 LEU 87 -3.488 -6.126 -1.676 458 2HB LEU 87 HB1 LEU 87 -2.210 -7.231 -2.144 459 HG LEU 87 HG LEU 87 -3.344 -7.560 -4.331 460 1HD1 LEU 87 HD11 LEU 87 -5.111 -5.293 -3.425 461 2HD1 LEU 87 HD12 LEU 87 -5.617 -6.976 -3.567 462 3HD1 LEU 87 HD13 LEU 87 -5.125 -6.079 -5.004 463 1HD2 LEU 87 HD21 LEU 87 -2.221 -5.001 -3.373 464 2HD2 LEU 87 HD22 LEU 87 -3.025 -4.971 -4.943 465 3HD2 LEU 87 HD23 LEU 87 -1.674 -6.071 -4.665 466 H THR 88 HN THR 88 -4.888 -9.080 -3.921 467 HA THR 88 HA THR 88 -3.518 -11.653 -3.698 468 HB THR 88 HB THR 88 -5.232 -10.886 -6.030 469 HG1 THR 88 HG1 THR 88 -6.503 -10.248 -4.325 470 1HG2 THR 88 HG21 THR 88 -6.062 -13.294 -5.458 471 2HG2 THR 88 HG22 THR 88 -4.518 -13.399 -4.612 472 3HG2 THR 88 HG23 THR 88 -4.556 -13.045 -6.340 473 H PHE 89 HN PHE 89 -2.672 -12.435 -5.970 474 HA PHE 89 HA PHE 89 -1.094 -10.236 -7.126 475 1HB PHE 89 HB2 PHE 89 -0.217 -12.723 -5.910 476 2HB PHE 89 HB1 PHE 89 0.385 -12.554 -7.550 477 HD1 PHE 89 HD1 PHE 89 1.230 -12.018 -4.286 478 HD2 PHE 89 HD2 PHE 89 1.160 -9.970 -8.015 479 HE1 PHE 89 HE1 PHE 89 2.992 -10.502 -3.481 480 HE2 PHE 89 HE2 PHE 89 2.921 -8.453 -7.217 481 HZ PHE 89 HZ PHE 89 3.842 -8.716 -4.950 482 HA PRO 90 HA PRO 90 -3.106 -11.790 -10.819 483 1HB PRO 90 HB2 PRO 90 -2.600 -9.712 -12.396 484 2HB PRO 90 HB1 PRO 90 -3.708 -9.548 -11.026 485 1HG PRO 90 HG2 PRO 90 -0.822 -8.748 -11.232 486 2HG PRO 90 HG1 PRO 90 -2.189 -7.833 -10.564 487 1HD PRO 90 HD2 PRO 90 -0.419 -9.277 -9.040 488 2HD PRO 90 HD1 PRO 90 -2.088 -8.921 -8.551 489 H SER 91 HN SER 91 -2.501 -12.384 -12.987 490 HA SER 91 HA SER 91 0.022 -13.587 -13.200 491 1HB SER 91 HB2 SER 91 -2.266 -13.117 -15.045 492 2HB SER 91 HB1 SER 91 -0.717 -13.554 -15.765 493 HG SER 91 HG SER 91 -2.145 -15.009 -13.790 494 H ASP 92 HN ASP 92 -1.163 -10.459 -14.132 495 HA ASP 92 HA ASP 92 0.573 -9.570 -16.021 496 1HB ASP 92 HB2 ASP 92 -1.213 -8.384 -14.218 497 2HB ASP 92 HB1 ASP 92 0.312 -7.536 -13.981 498 H TYR 93 HN TYR 93 1.317 -10.132 -12.631 499 HA TYR 93 HA TYR 93 3.685 -8.693 -12.433 500 1HB TYR 93 HB2 TYR 93 2.299 -10.475 -10.801 501 2HB TYR 93 HB1 TYR 93 3.890 -11.205 -11.010 502 HD1 TYR 93 HD1 TYR 93 2.664 -7.691 -10.624 503 HD2 TYR 93 HD2 TYR 93 5.274 -10.740 -9.222 504 HE1 TYR 93 HE1 TYR 93 3.605 -6.121 -8.982 505 HE2 TYR 93 HE2 TYR 93 6.221 -9.182 -7.572 506 HH TYR 93 HH TYR 93 4.797 -6.138 -6.891 507 H HIS 94 HN HIS 94 5.786 -9.053 -12.909 508 HA HIS 94 HA HIS 94 6.406 -10.592 -15.160 509 1HB HIS 94 HB2 HIS 94 7.796 -8.796 -13.358 510 2HB HIS 94 HB1 HIS 94 8.834 -10.124 -13.866 511 HD1 HIS 94 HD1 HIS 94 7.431 -6.941 -14.999 512 HD2 HIS 94 HD2 HIS 94 9.144 -10.299 -16.747 513 HE1 HIS 94 HE1 HIS 94 8.051 -6.241 -17.333 514 HE2 HIS 94 HE2 HIS 94 9.167 -8.263 -18.341 515 H VAL 95 HN VAL 95 6.283 -11.510 -11.834 516 HA VAL 95 HA VAL 95 7.945 -13.859 -12.343 517 HB VAL 95 HB VAL 95 8.339 -12.553 -10.277 518 1HG1 VAL 95 HG11 VAL 95 6.104 -13.701 -8.833 519 2HG1 VAL 95 HG12 VAL 95 5.597 -12.567 -10.090 520 3HG1 VAL 95 HG13 VAL 95 6.728 -12.050 -8.840 521 1HG2 VAL 95 HG21 VAL 95 8.277 -14.577 -8.746 522 2HG2 VAL 95 HG22 VAL 95 9.141 -14.772 -10.271 523 3HG2 VAL 95 HG23 VAL 95 7.519 -15.440 -10.084 524 H LYS 96 HN LYS 96 7.171 -15.776 -12.640 525 HA LYS 96 HA LYS 96 4.550 -16.355 -13.290 526 1HB LYS 96 HB2 LYS 96 6.984 -17.881 -12.845 527 2HB LYS 96 HB1 LYS 96 5.548 -18.790 -12.393 528 1HG LYS 96 HG2 LYS 96 4.646 -18.034 -14.701 529 2HG LYS 96 HG1 LYS 96 6.345 -17.721 -15.065 530 1HD LYS 96 HD2 LYS 96 5.842 -20.321 -13.809 531 2HD LYS 96 HD1 LYS 96 5.082 -20.122 -15.389 532 1HE LYS 96 HE2 LYS 96 7.081 -20.790 -16.170 533 2HE LYS 96 HE1 LYS 96 7.545 -19.114 -15.881 534 1HZ LYS 96 HZ1 LYS 96 8.468 -19.719 -13.776 535 2HZ LYS 96 HZ2 LYS 96 9.115 -20.753 -14.949 536 3HZ LYS 96 HZ3 LYS 96 7.899 -21.307 -13.912 537 H GLU 97 HN GLU 97 6.166 -16.913 -10.186 538 HA GLU 97 HA GLU 97 4.067 -18.214 -8.913 539 1HB GLU 97 HB2 GLU 97 5.188 -17.272 -6.775 540 2HB GLU 97 HB1 GLU 97 6.064 -18.412 -7.785 541 1HG GLU 97 HG2 GLU 97 7.543 -16.837 -8.526 542 2HG GLU 97 HG1 GLU 97 6.411 -15.507 -8.294 543 H LEU 98 HN LEU 98 4.755 -14.728 -8.981 544 HA LEU 98 HA LEU 98 2.489 -14.193 -7.293 545 1HB LEU 98 HB2 LEU 98 4.495 -12.471 -8.665 546 2HB LEU 98 HB1 LEU 98 3.039 -11.764 -8.022 547 HG LEU 98 HG LEU 98 3.817 -11.788 -5.946 548 1HD1 LEU 98 HD11 LEU 98 4.773 -14.589 -6.447 549 2HD1 LEU 98 HD12 LEU 98 3.354 -14.075 -5.532 550 3HD1 LEU 98 HD13 LEU 98 4.972 -13.749 -4.908 551 1HD2 LEU 98 HD21 LEU 98 5.832 -11.136 -7.353 552 2HD2 LEU 98 HD22 LEU 98 6.461 -12.743 -6.991 553 3HD2 LEU 98 HD23 LEU 98 6.142 -11.602 -5.679 554 H GLN 99 HN GLN 99 2.057 -15.543 -9.845 555 HA GLN 99 HA GLN 99 0.545 -13.638 -11.401 556 1HB GLN 99 HB2 GLN 99 1.094 -16.593 -11.631 557 2HB GLN 99 HB1 GLN 99 -0.152 -15.828 -12.607 558 1HG GLN 99 HG2 GLN 99 1.863 -14.169 -13.144 559 2HG GLN 99 HG1 GLN 99 2.790 -15.621 -12.780 560 1HE2 GLN 99 HE21 GLN 99 3.053 -14.726 -15.235 561 2HE2 GLN 99 HE22 GLN 99 2.171 -15.681 -16.372 562 H SER 100 HN SER 100 0.119 -16.187 -9.045 563 HA SER 100 HA SER 100 -2.644 -15.299 -8.600 564 1HB SER 100 HB2 SER 100 -1.775 -18.140 -9.139 565 2HB SER 100 HB1 SER 100 -3.281 -17.756 -8.305 566 HG SER 100 HG SER 100 -3.809 -16.463 -10.189 567 H LYS 101 HN LYS 101 -0.997 -14.334 -6.886 568 HA LYS 101 HA LYS 101 -0.847 -16.250 -4.651 569 1HB LYS 101 HB2 LYS 101 1.316 -15.339 -5.767 570 2HB LYS 101 HB1 LYS 101 0.973 -13.890 -4.834 571 1HG LYS 101 HG2 LYS 101 1.482 -14.870 -2.859 572 2HG LYS 101 HG1 LYS 101 0.908 -16.458 -3.374 573 1HD LYS 101 HD2 LYS 101 3.041 -16.091 -5.025 574 2HD LYS 101 HD1 LYS 101 3.582 -15.260 -3.565 575 1HE LYS 101 HE2 LYS 101 2.323 -17.810 -2.980 576 2HE LYS 101 HE1 LYS 101 3.706 -17.982 -4.060 577 1HZ LYS 101 HZ1 LYS 101 4.087 -16.242 -1.763 578 2HZ LYS 101 HZ2 LYS 101 5.144 -17.363 -2.461 579 3HZ LYS 101 HZ3 LYS 101 3.921 -17.891 -1.419 580 HA PRO 102 HA PRO 102 -3.556 -13.111 -2.753 581 1HB PRO 102 HB2 PRO 102 -4.509 -14.723 -0.814 582 2HB PRO 102 HB1 PRO 102 -5.120 -14.805 -2.472 583 1HG PRO 102 HG2 PRO 102 -3.111 -16.557 -1.106 584 2HG PRO 102 HG1 PRO 102 -4.459 -17.016 -2.164 585 1HD PRO 102 HD2 PRO 102 -1.886 -16.847 -3.033 586 2HD PRO 102 HD1 PRO 102 -3.283 -16.532 -4.080 587 H VAL 103 HN VAL 103 -1.656 -11.957 -2.081 588 HA VAL 103 HA VAL 103 -0.335 -12.887 0.356 589 HB VAL 103 HB VAL 103 0.938 -12.159 -1.700 590 1HG1 VAL 103 HG11 VAL 103 0.783 -9.344 -0.871 591 2HG1 VAL 103 HG12 VAL 103 -0.662 -9.971 -1.663 592 3HG1 VAL 103 HG13 VAL 103 0.899 -10.049 -2.483 593 1HG2 VAL 103 HG21 VAL 103 1.674 -12.180 0.841 594 2HG2 VAL 103 HG22 VAL 103 1.833 -10.447 0.551 595 3HG2 VAL 103 HG23 VAL 103 2.742 -11.594 -0.434 596 H THR 104 HN THR 104 0.274 -11.353 1.986 597 HA THR 104 HA THR 104 -1.822 -9.373 2.550 598 HB THR 104 HB THR 104 -0.098 -10.051 4.790 599 HG1 THR 104 HG1 THR 104 -1.691 -12.130 3.708 600 1HG2 THR 104 HG21 THR 104 -3.065 -10.349 4.421 601 2HG2 THR 104 HG22 THR 104 -2.242 -8.927 5.062 602 3HG2 THR 104 HG23 THR 104 -2.186 -10.453 5.946 603 H PHE 105 HN PHE 105 -1.150 -7.433 1.909 604 HA PHE 105 HA PHE 105 1.689 -6.781 2.060 605 1HB PHE 105 HB2 PHE 105 -0.665 -5.447 0.735 606 2HB PHE 105 HB1 PHE 105 0.916 -4.685 0.837 607 HD1 PHE 105 HD1 PHE 105 2.670 -7.036 0.367 608 HD2 PHE 105 HD2 PHE 105 -0.940 -5.812 -1.522 609 HE1 PHE 105 HE1 PHE 105 3.358 -8.191 -1.694 610 HE2 PHE 105 HE2 PHE 105 -0.260 -6.965 -3.582 611 HZ PHE 105 HZ PHE 105 1.890 -8.154 -3.668 612 H GLU 106 HN GLU 106 2.528 -5.600 3.607 613 HA GLU 106 HA GLU 106 0.772 -4.016 5.354 614 1HB GLU 106 HB2 GLU 106 2.099 -5.307 6.778 615 2HB GLU 106 HB1 GLU 106 3.473 -5.282 5.683 616 1HG GLU 106 HG2 GLU 106 4.195 -3.217 6.418 617 2HG GLU 106 HG1 GLU 106 2.606 -2.767 7.035 618 H VAL 107 HN VAL 107 0.467 -2.357 3.812 619 HA VAL 107 HA VAL 107 2.827 -1.001 2.795 620 HB VAL 107 HB VAL 107 0.285 0.257 2.122 621 1HG1 VAL 107 HG11 VAL 107 1.778 -0.928 -0.045 622 2HG1 VAL 107 HG12 VAL 107 2.838 -0.053 1.061 623 3HG1 VAL 107 HG13 VAL 107 1.471 0.770 0.315 624 1HG2 VAL 107 HG21 VAL 107 0.686 -2.663 1.488 625 2HG2 VAL 107 HG22 VAL 107 -0.367 -1.610 0.544 626 3HG2 VAL 107 HG23 VAL 107 -0.708 -1.897 2.250 627 H VAL 108 HN VAL 108 3.766 0.450 4.078 628 HA VAL 108 HA VAL 108 2.209 1.984 5.964 629 HB VAL 108 HB VAL 108 4.958 1.164 5.624 630 1HG1 VAL 108 HG11 VAL 108 4.491 4.105 6.044 631 2HG1 VAL 108 HG12 VAL 108 5.658 3.304 4.991 632 3HG1 VAL 108 HG13 VAL 108 5.895 3.294 6.738 633 1HG2 VAL 108 HG21 VAL 108 4.201 0.549 7.646 634 2HG2 VAL 108 HG22 VAL 108 3.098 1.920 7.775 635 3HG2 VAL 108 HG23 VAL 108 4.812 2.130 8.136 636 H LEU 109 HN LEU 109 0.946 3.250 4.713 637 HA LEU 109 HA LEU 109 1.386 4.517 2.382 638 1HB LEU 109 HB2 LEU 109 -0.639 4.403 4.090 639 2HB LEU 109 HB1 LEU 109 -0.142 6.062 4.367 640 HG LEU 109 HG LEU 109 -1.865 6.041 2.698 641 1HD1 LEU 109 HD11 LEU 109 0.593 6.429 1.056 642 2HD1 LEU 109 HD12 LEU 109 0.307 7.463 2.455 643 3HD1 LEU 109 HD13 LEU 109 -0.868 7.412 1.141 644 1HD2 LEU 109 HD21 LEU 109 -1.045 4.873 0.447 645 2HD2 LEU 109 HD22 LEU 109 -2.017 4.042 1.660 646 3HD2 LEU 109 HD23 LEU 109 -0.271 3.805 1.616 647 H LYS 110 HN LYS 110 3.704 5.275 2.478 648 HA LYS 110 HA LYS 110 3.883 7.936 3.735 649 1HB LYS 110 HB2 LYS 110 5.764 5.774 3.470 650 2HB LYS 110 HB1 LYS 110 6.371 7.172 2.597 651 1HG LYS 110 HG2 LYS 110 6.530 8.464 4.502 652 2HG LYS 110 HG1 LYS 110 5.355 7.487 5.385 653 1HD LYS 110 HD2 LYS 110 7.003 5.622 5.393 654 2HD LYS 110 HD1 LYS 110 8.178 6.712 4.655 655 1HE LYS 110 HE2 LYS 110 8.203 8.119 6.563 656 2HE LYS 110 HE1 LYS 110 6.791 7.321 7.254 657 1HZ LYS 110 HZ1 LYS 110 8.725 6.553 8.385 658 2HZ LYS 110 HZ2 LYS 110 9.510 6.175 6.935 659 3HZ LYS 110 HZ3 LYS 110 8.161 5.280 7.424 660 H ALA 111 HN ALA 111 3.685 9.670 2.261 661 HA ALA 111 HA ALA 111 4.152 8.950 -0.554 662 1HB ALA 111 HB1 ALA 111 1.782 8.878 -0.076 663 2HB ALA 111 HB2 ALA 111 2.182 10.146 -1.236 664 3HB ALA 111 HB3 ALA 111 1.829 10.564 0.441 665 H ILE 112 HN ILE 112 5.282 10.173 -1.719 666 HA ILE 112 HA ILE 112 5.908 12.941 -0.907 667 HB ILE 112 HB ILE 112 7.509 10.961 -2.524 668 1HG1 ILE 112 HG12 ILE 112 7.456 10.765 -0.003 669 2HG1 ILE 112 HG11 ILE 112 9.054 10.991 -0.706 670 1HG2 ILE 112 HG21 ILE 112 8.107 13.856 -1.921 671 2HG2 ILE 112 HG22 ILE 112 7.779 13.158 -3.507 672 3HG2 ILE 112 HG23 ILE 112 9.244 12.710 -2.633 673 1HD1 ILE 112 HD11 ILE 112 8.905 12.346 1.238 674 2HD1 ILE 112 HD12 ILE 112 7.369 13.035 0.714 675 3HD1 ILE 112 HD13 ILE 112 8.852 13.419 -0.160 676 H LYS 113 HN LYS 113 5.371 14.589 -2.470 677 HA LYS 113 HA LYS 113 4.148 13.590 -4.926 678 1HB LYS 113 HB2 LYS 113 3.094 15.778 -5.092 679 2HB LYS 113 HB1 LYS 113 2.805 15.088 -3.501 680 1HG LYS 113 HG2 LYS 113 4.993 16.497 -2.937 681 2HG LYS 113 HG1 LYS 113 4.388 17.459 -4.287 682 1HD LYS 113 HD2 LYS 113 2.919 18.423 -2.925 683 2HD LYS 113 HD1 LYS 113 2.177 16.850 -2.626 684 1HE LYS 113 HE2 LYS 113 4.668 17.355 -1.149 685 2HE LYS 113 HE1 LYS 113 3.320 18.406 -0.717 686 1HZ LYS 113 HZ1 LYS 113 2.775 15.545 -0.931 687 2HZ LYS 113 HZ2 LYS 113 2.134 16.691 0.136 688 3HZ LYS 113 HZ3 LYS 113 3.681 16.060 0.403 Start of MODEL 12 1 H LYS 29 HN LYS 29 -8.352 8.143 8.052 2 HA LYS 29 HA LYS 29 -7.590 5.549 6.881 3 1HB LYS 29 HB2 LYS 29 -10.187 6.608 7.090 4 2HB LYS 29 HB1 LYS 29 -9.724 6.814 5.406 5 1HG LYS 29 HG2 LYS 29 -10.734 4.732 5.436 6 2HG LYS 29 HG1 LYS 29 -9.014 4.345 5.519 7 1HD LYS 29 HD2 LYS 29 -10.285 2.997 7.104 8 2HD LYS 29 HD1 LYS 29 -9.191 4.093 7.949 9 1HE LYS 29 HE2 LYS 29 -10.900 5.409 8.739 10 2HE LYS 29 HE1 LYS 29 -11.983 4.982 7.415 11 1HZ LYS 29 HZ1 LYS 29 -12.052 3.956 9.937 12 2HZ LYS 29 HZ2 LYS 29 -11.304 2.729 9.045 13 3HZ LYS 29 HZ3 LYS 29 -12.825 3.304 8.580 14 H LEU 30 HN LEU 30 -5.786 6.015 5.773 15 HA LEU 30 HA LEU 30 -5.526 8.518 4.322 16 1HB LEU 30 HB2 LEU 30 -3.615 7.524 5.557 17 2HB LEU 30 HB1 LEU 30 -3.652 6.153 4.465 18 HG LEU 30 HG LEU 30 -3.468 8.388 2.794 19 1HD1 LEU 30 HD11 LEU 30 -2.193 9.962 3.720 20 2HD1 LEU 30 HD12 LEU 30 -1.126 8.777 4.473 21 3HD1 LEU 30 HD13 LEU 30 -2.627 9.245 5.272 22 1HD2 LEU 30 HD21 LEU 30 -1.117 7.517 2.473 23 2HD2 LEU 30 HD22 LEU 30 -2.414 6.342 2.255 24 3HD2 LEU 30 HD23 LEU 30 -1.472 6.349 3.746 25 H ALA 31 HN ALA 31 -7.140 8.312 2.730 26 HA ALA 31 HA ALA 31 -7.132 6.019 0.990 27 1HB ALA 31 HB1 ALA 31 -9.250 6.610 0.805 28 2HB ALA 31 HB2 ALA 31 -8.745 8.010 -0.145 29 3HB ALA 31 HB3 ALA 31 -8.937 8.152 1.602 30 H ASN 32 HN ASN 32 -7.703 7.131 -1.467 31 HA ASN 32 HA ASN 32 -5.267 7.245 -2.711 32 1HB ASN 32 HB2 ASN 32 -8.025 7.778 -3.449 33 2HB ASN 32 HB1 ASN 32 -6.897 8.777 -4.362 34 1HD2 ASN 32 HD21 ASN 32 -8.571 6.633 -5.313 35 2HD2 ASN 32 HD22 ASN 32 -7.517 5.443 -5.989 36 H GLY 33 HN GLY 33 -4.991 9.316 -4.370 37 1HA GLY 33 HA2 GLY 33 -4.005 11.355 -4.587 38 2HA GLY 33 HA1 GLY 33 -5.164 11.914 -3.404 39 H ASP 34 HN ASP 34 -3.176 9.450 -2.170 40 HA ASP 34 HA ASP 34 -1.347 11.438 -0.987 41 1HB ASP 34 HB2 ASP 34 -3.212 10.213 0.444 42 2HB ASP 34 HB1 ASP 34 -2.007 8.930 0.479 43 H ILE 35 HN ILE 35 0.669 10.324 -0.035 44 HA ILE 35 HA ILE 35 1.666 8.382 -2.016 45 HB ILE 35 HB ILE 35 3.208 10.198 -0.184 46 1HG1 ILE 35 HG12 ILE 35 3.858 11.373 -2.258 47 2HG1 ILE 35 HG11 ILE 35 2.733 10.357 -3.154 48 1HG2 ILE 35 HG21 ILE 35 4.495 8.856 -2.467 49 2HG2 ILE 35 HG22 ILE 35 4.139 7.879 -1.044 50 3HG2 ILE 35 HG23 ILE 35 5.154 9.313 -0.897 51 1HD1 ILE 35 HD11 ILE 35 1.693 11.917 -0.854 52 2HD1 ILE 35 HD12 ILE 35 0.906 11.462 -2.366 53 3HD1 ILE 35 HD13 ILE 35 2.087 12.772 -2.346 54 H ALA 36 HN ALA 36 1.788 6.260 -1.230 55 HA ALA 36 HA ALA 36 1.834 5.936 1.674 56 1HB ALA 36 HB1 ALA 36 0.065 4.925 0.066 57 2HB ALA 36 HB2 ALA 36 0.688 3.973 1.413 58 3HB ALA 36 HB3 ALA 36 1.303 3.702 -0.218 59 H ILE 37 HN ILE 37 3.956 5.840 2.343 60 HA ILE 37 HA ILE 37 5.912 4.330 0.837 61 HB ILE 37 HB ILE 37 6.996 6.112 1.810 62 1HG1 ILE 37 HG12 ILE 37 7.406 3.616 3.290 63 2HG1 ILE 37 HG11 ILE 37 8.575 4.688 2.542 64 1HG2 ILE 37 HG21 ILE 37 5.381 5.720 4.310 65 2HG2 ILE 37 HG22 ILE 37 5.170 6.984 3.099 66 3HG2 ILE 37 HG23 ILE 37 6.625 6.946 4.089 67 1HD1 ILE 37 HD11 ILE 37 8.628 6.081 4.468 68 2HD1 ILE 37 HD12 ILE 37 8.822 4.409 4.996 69 3HD1 ILE 37 HD13 ILE 37 7.269 5.222 5.191 70 H ILE 38 HN ILE 38 4.804 2.361 0.877 71 HA ILE 38 HA ILE 38 4.463 1.091 3.475 72 HB ILE 38 HB ILE 38 3.379 -0.737 2.033 73 1HG1 ILE 38 HG12 ILE 38 2.312 0.311 -0.034 74 2HG1 ILE 38 HG11 ILE 38 3.546 1.556 0.075 75 1HG2 ILE 38 HG21 ILE 38 1.501 1.342 1.743 76 2HG2 ILE 38 HG22 ILE 38 2.473 1.718 3.166 77 3HG2 ILE 38 HG23 ILE 38 1.639 0.170 3.052 78 1HD1 ILE 38 HD11 ILE 38 4.525 -1.214 0.117 79 2HD1 ILE 38 HD12 ILE 38 5.156 0.206 -0.717 80 3HD1 ILE 38 HD13 ILE 38 3.784 -0.675 -1.390 81 H ASP 39 HN ASP 39 5.682 -0.506 4.249 82 HA ASP 39 HA ASP 39 7.891 -1.583 2.651 83 1HB ASP 39 HB2 ASP 39 8.331 -0.881 4.992 84 2HB ASP 39 HB1 ASP 39 7.130 -2.039 5.543 85 H PHE 40 HN PHE 40 6.697 -2.776 1.225 86 HA PHE 40 HA PHE 40 5.063 -4.896 2.388 87 1HB PHE 40 HB2 PHE 40 3.870 -5.064 0.391 88 2HB PHE 40 HB1 PHE 40 4.250 -3.352 0.482 89 HD1 PHE 40 HD1 PHE 40 5.618 -2.299 -1.135 90 HD2 PHE 40 HD2 PHE 40 5.088 -6.519 -1.195 91 HE1 PHE 40 HE1 PHE 40 6.608 -2.381 -3.380 92 HE2 PHE 40 HE2 PHE 40 6.082 -6.613 -3.445 93 HZ PHE 40 HZ PHE 40 6.841 -4.543 -4.542 94 H THR 41 HN THR 41 5.903 -6.810 2.724 95 HA THR 41 HA THR 41 8.297 -7.643 1.298 96 HB THR 41 HB THR 41 7.083 -9.423 3.324 97 HG1 THR 41 HG1 THR 41 7.800 -8.061 5.011 98 1HG2 THR 41 HG21 THR 41 9.217 -9.951 3.874 99 2HG2 THR 41 HG22 THR 41 9.829 -8.334 3.522 100 3HG2 THR 41 HG23 THR 41 9.472 -9.448 2.203 101 H GLY 42 HN GLY 42 8.220 -8.936 -0.422 102 1HA GLY 42 HA2 GLY 42 5.828 -10.136 -1.392 103 2HA GLY 42 HA1 GLY 42 7.451 -10.350 -2.030 104 H ILE 43 HN ILE 43 5.301 -11.428 0.590 105 HA ILE 43 HA ILE 43 6.904 -13.826 0.938 106 HB ILE 43 HB ILE 43 4.282 -13.838 2.212 107 1HG1 ILE 43 HG12 ILE 43 5.917 -11.424 2.386 108 2HG1 ILE 43 HG11 ILE 43 4.252 -11.694 2.895 109 1HG2 ILE 43 HG21 ILE 43 5.945 -15.467 2.752 110 2HG2 ILE 43 HG22 ILE 43 5.648 -14.467 4.171 111 3HG2 ILE 43 HG23 ILE 43 7.094 -14.207 3.197 112 1HD1 ILE 43 HD11 ILE 43 6.706 -12.462 4.455 113 2HD1 ILE 43 HD12 ILE 43 5.032 -12.640 4.980 114 3HD1 ILE 43 HD13 ILE 43 5.715 -11.031 4.740 115 H VAL 44 HN VAL 44 6.630 -15.538 -0.318 116 HA VAL 44 HA VAL 44 4.146 -15.830 -1.819 117 HB VAL 44 HB VAL 44 6.221 -15.991 -3.080 118 1HG1 VAL 44 HG11 VAL 44 7.289 -17.243 -0.942 119 2HG1 VAL 44 HG12 VAL 44 7.980 -17.308 -2.563 120 3HG1 VAL 44 HG13 VAL 44 6.960 -18.625 -1.986 121 1HG2 VAL 44 HG21 VAL 44 4.369 -17.192 -3.979 122 2HG2 VAL 44 HG22 VAL 44 4.636 -18.544 -2.880 123 3HG2 VAL 44 HG23 VAL 44 5.798 -18.209 -4.164 124 H ASP 45 HN ASP 45 2.965 -16.437 0.156 125 HA ASP 45 HA ASP 45 1.963 -17.952 1.528 126 1HB ASP 45 HB2 ASP 45 2.937 -19.805 -0.650 127 2HB ASP 45 HB1 ASP 45 1.836 -20.296 0.634 128 H ASN 46 HN ASN 46 3.674 -17.445 3.122 129 HA ASN 46 HA ASN 46 4.813 -18.333 4.918 130 1HB ASN 46 HB2 ASN 46 4.020 -20.668 3.744 131 2HB ASN 46 HB1 ASN 46 5.775 -20.796 3.654 132 1HD2 ASN 46 HD21 ASN 46 3.033 -21.067 5.613 133 2HD2 ASN 46 HD22 ASN 46 3.834 -21.358 7.116 134 H LYS 47 HN LYS 47 6.125 -18.637 1.668 135 HA LYS 47 HA LYS 47 8.799 -18.366 2.731 136 1HB LYS 47 HB2 LYS 47 7.625 -19.046 0.106 137 2HB LYS 47 HB1 LYS 47 9.145 -18.164 0.047 138 1HG LYS 47 HG2 LYS 47 9.042 -20.460 1.896 139 2HG LYS 47 HG1 LYS 47 8.984 -20.832 0.172 140 1HD LYS 47 HD2 LYS 47 10.991 -19.159 0.046 141 2HD LYS 47 HD1 LYS 47 11.150 -19.529 1.765 142 1HE LYS 47 HE2 LYS 47 10.900 -21.746 -0.224 143 2HE LYS 47 HE1 LYS 47 12.451 -20.939 -0.001 144 1HZ LYS 47 HZ1 LYS 47 12.219 -21.441 2.414 145 2HZ LYS 47 HZ2 LYS 47 12.397 -22.807 1.433 146 3HZ LYS 47 HZ3 LYS 47 10.873 -22.398 2.043 147 H LYS 48 HN LYS 48 10.053 -16.566 2.645 148 HA LYS 48 HA LYS 48 8.790 -14.128 1.560 149 1HB LYS 48 HB2 LYS 48 10.045 -12.890 3.336 150 2HB LYS 48 HB1 LYS 48 8.810 -13.973 3.958 151 1HG LYS 48 HG2 LYS 48 11.403 -15.260 3.742 152 2HG LYS 48 HG1 LYS 48 11.432 -13.837 4.784 153 1HD LYS 48 HD2 LYS 48 9.135 -15.059 5.591 154 2HD LYS 48 HD1 LYS 48 10.147 -16.446 5.181 155 1HE LYS 48 HE2 LYS 48 11.441 -14.310 6.753 156 2HE LYS 48 HE1 LYS 48 10.181 -15.223 7.581 157 1HZ LYS 48 HZ1 LYS 48 11.884 -16.603 8.015 158 2HZ LYS 48 HZ2 LYS 48 12.813 -16.074 6.704 159 3HZ LYS 48 HZ3 LYS 48 11.571 -17.196 6.461 160 H LEU 49 HN LEU 49 9.848 -14.130 -0.422 161 HA LEU 49 HA LEU 49 12.749 -14.337 -0.470 162 1HB LEU 49 HB2 LEU 49 12.419 -14.052 -2.972 163 2HB LEU 49 HB1 LEU 49 11.797 -15.516 -2.244 164 HG LEU 49 HG LEU 49 10.380 -14.304 -4.022 165 1HD1 LEU 49 HD11 LEU 49 8.741 -15.614 -3.306 166 2HD1 LEU 49 HD12 LEU 49 8.551 -14.694 -1.814 167 3HD1 LEU 49 HD13 LEU 49 9.758 -15.976 -1.912 168 1HD2 LEU 49 HD21 LEU 49 8.823 -12.628 -3.071 169 2HD2 LEU 49 HD22 LEU 49 10.490 -12.062 -3.170 170 3HD2 LEU 49 HD23 LEU 49 9.823 -12.573 -1.620 171 H ALA 50 HN ALA 50 13.666 -12.705 -2.317 172 HA ALA 50 HA ALA 50 13.265 -10.065 -1.137 173 1HB ALA 50 HB1 ALA 50 15.345 -10.668 -3.196 174 2HB ALA 50 HB2 ALA 50 15.549 -11.229 -1.537 175 3HB ALA 50 HB3 ALA 50 15.384 -9.505 -1.871 176 H SER 51 HN SER 51 12.320 -11.807 -3.898 177 HA SER 51 HA SER 51 12.317 -10.010 -5.968 178 1HB SER 51 HB2 SER 51 10.202 -12.023 -5.199 179 2HB SER 51 HB1 SER 51 10.209 -11.155 -6.734 180 HG SER 51 HG SER 51 12.430 -12.661 -5.842 181 H ALA 52 HN ALA 52 9.274 -10.531 -4.231 182 HA ALA 52 HA ALA 52 8.536 -7.813 -4.832 183 1HB ALA 52 HB1 ALA 52 7.148 -10.245 -4.306 184 2HB ALA 52 HB2 ALA 52 6.517 -8.721 -4.931 185 3HB ALA 52 HB3 ALA 52 6.569 -9.007 -3.190 186 H SER 53 HN SER 53 10.674 -8.423 -2.781 187 HA SER 53 HA SER 53 9.472 -7.591 -0.280 188 1HB SER 53 HB2 SER 53 11.489 -9.258 -0.709 189 2HB SER 53 HB1 SER 53 12.429 -7.768 -0.628 190 HG SER 53 HG SER 53 11.441 -9.191 1.378 191 H ALA 54 HN ALA 54 8.790 -5.491 -0.533 192 HA ALA 54 HA ALA 54 10.901 -3.510 -1.061 193 1HB ALA 54 HB1 ALA 54 8.078 -2.698 -1.316 194 2HB ALA 54 HB2 ALA 54 8.744 -3.730 -2.582 195 3HB ALA 54 HB3 ALA 54 9.497 -2.175 -2.220 196 H GLN 55 HN GLN 55 11.340 -2.037 0.362 197 HA GLN 55 HA GLN 55 10.009 -2.163 2.935 198 1HB GLN 55 HB2 GLN 55 12.434 -0.554 2.180 199 2HB GLN 55 HB1 GLN 55 11.910 -1.009 3.797 200 1HG GLN 55 HG2 GLN 55 12.486 -3.275 3.445 201 2HG GLN 55 HG1 GLN 55 12.717 -3.018 1.716 202 1HE2 GLN 55 HE21 GLN 55 14.008 -2.347 4.903 203 2HE2 GLN 55 HE22 GLN 55 15.624 -2.020 4.389 204 H ASN 56 HN ASN 56 11.206 0.649 3.127 205 HA ASN 56 HA ASN 56 8.800 2.116 3.056 206 1HB ASN 56 HB2 ASN 56 11.666 3.105 3.053 207 2HB ASN 56 HB1 ASN 56 10.255 4.119 3.338 208 1HD2 ASN 56 HD21 ASN 56 12.533 3.542 5.063 209 2HD2 ASN 56 HD22 ASN 56 11.875 2.885 6.519 210 H TYR 57 HN TYR 57 8.137 1.385 0.881 211 HA TYR 57 HA TYR 57 9.499 2.685 -1.342 212 1HB TYR 57 HB2 TYR 57 8.598 0.290 -1.428 213 2HB TYR 57 HB1 TYR 57 6.992 1.008 -1.488 214 HD1 TYR 57 HD1 TYR 57 6.570 2.726 -3.389 215 HD2 TYR 57 HD2 TYR 57 9.775 -0.072 -3.398 216 HE1 TYR 57 HE1 TYR 57 6.765 2.966 -5.828 217 HE2 TYR 57 HE2 TYR 57 9.980 0.162 -5.837 218 HH TYR 57 HH TYR 57 7.630 1.617 -7.749 219 H GLU 58 HN GLU 58 9.078 4.771 -1.515 220 HA GLU 58 HA GLU 58 6.677 5.995 -0.647 221 1HB GLU 58 HB2 GLU 58 8.463 7.249 -2.708 222 2HB GLU 58 HB1 GLU 58 7.576 8.015 -1.398 223 1HG GLU 58 HG2 GLU 58 9.372 6.276 -0.157 224 2HG GLU 58 HG1 GLU 58 10.279 7.044 -1.459 225 H LEU 59 HN LEU 59 5.050 4.807 -1.585 226 HA LEU 59 HA LEU 59 4.762 4.912 -4.489 227 1HB LEU 59 HB2 LEU 59 4.311 2.769 -3.508 228 2HB LEU 59 HB1 LEU 59 3.225 3.474 -2.328 229 HG LEU 59 HG LEU 59 1.561 3.915 -4.019 230 1HD1 LEU 59 HD11 LEU 59 1.993 4.108 -6.198 231 2HD1 LEU 59 HD12 LEU 59 2.807 2.546 -6.247 232 3HD1 LEU 59 HD13 LEU 59 3.703 3.990 -5.786 233 1HD2 LEU 59 HD21 LEU 59 2.739 1.180 -3.928 234 2HD2 LEU 59 HD22 LEU 59 1.360 1.518 -4.973 235 3HD2 LEU 59 HD23 LEU 59 1.234 1.784 -3.235 236 H THR 60 HN THR 60 2.810 5.740 -5.441 237 HA THR 60 HA THR 60 1.561 7.851 -3.804 238 HB THR 60 HB THR 60 1.181 7.981 -6.729 239 HG1 THR 60 HG1 THR 60 3.772 8.416 -5.658 240 1HG2 THR 60 HG21 THR 60 2.475 10.271 -5.806 241 2HG2 THR 60 HG22 THR 60 1.391 9.783 -4.504 242 3HG2 THR 60 HG23 THR 60 0.753 10.062 -6.124 243 H ILE 61 HN ILE 61 -0.453 7.177 -3.121 244 HA ILE 61 HA ILE 61 -1.834 5.166 -4.672 245 HB ILE 61 HB ILE 61 -3.605 5.511 -2.817 246 1HG1 ILE 61 HG12 ILE 61 -1.186 6.731 -1.463 247 2HG1 ILE 61 HG11 ILE 61 -2.622 7.625 -1.948 248 1HG2 ILE 61 HG21 ILE 61 -1.674 4.291 -1.267 249 2HG2 ILE 61 HG22 ILE 61 -1.095 4.061 -2.918 250 3HG2 ILE 61 HG23 ILE 61 -2.704 3.505 -2.466 251 1HD1 ILE 61 HD11 ILE 61 -3.967 6.318 -0.403 252 2HD1 ILE 61 HD12 ILE 61 -2.631 7.107 0.432 253 3HD1 ILE 61 HD13 ILE 61 -2.544 5.386 0.060 254 H GLY 62 HN GLY 62 -2.725 5.908 -6.435 255 1HA GLY 62 HA2 GLY 62 -4.944 6.970 -7.059 256 2HA GLY 62 HA1 GLY 62 -4.270 8.413 -6.305 257 H SER 63 HN SER 63 -2.042 6.399 -7.958 258 HA SER 63 HA SER 63 -1.852 8.386 -10.102 259 1HB SER 63 HB2 SER 63 0.173 6.495 -8.909 260 2HB SER 63 HB1 SER 63 0.464 7.370 -10.412 261 HG SER 63 HG SER 63 -0.265 8.642 -7.987 262 H ASN 64 HN ASN 64 -2.690 5.127 -9.466 263 HA ASN 64 HA ASN 64 -3.452 3.461 -10.797 264 1HB ASN 64 HB2 ASN 64 -3.662 5.828 -12.508 265 2HB ASN 64 HB1 ASN 64 -3.465 4.331 -13.414 266 1HD2 ASN 64 HD21 ASN 64 -5.188 5.275 -10.455 267 2HD2 ASN 64 HD22 ASN 64 -6.714 4.622 -10.935 268 H SER 65 HN SER 65 -0.533 4.052 -10.386 269 HA SER 65 HA SER 65 0.611 2.831 -12.786 270 1HB SER 65 HB2 SER 65 1.607 4.615 -10.699 271 2HB SER 65 HB1 SER 65 2.708 3.277 -11.028 272 HG SER 65 HG SER 65 3.068 4.031 -12.985 273 H PHE 66 HN PHE 66 -0.223 2.078 -9.514 274 HA PHE 66 HA PHE 66 1.366 -0.375 -9.560 275 1HB PHE 66 HB2 PHE 66 0.763 1.355 -7.520 276 2HB PHE 66 HB1 PHE 66 -0.408 0.067 -7.259 277 HD1 PHE 66 HD1 PHE 66 3.133 0.957 -7.283 278 HD2 PHE 66 HD2 PHE 66 0.310 -2.163 -6.652 279 HE1 PHE 66 HE1 PHE 66 4.873 -0.390 -6.184 280 HE2 PHE 66 HE2 PHE 66 2.048 -3.517 -5.555 281 HZ PHE 66 HZ PHE 66 4.332 -2.630 -5.319 282 H ILE 67 HN ILE 67 0.307 -2.422 -8.905 283 HA ILE 67 HA ILE 67 -1.808 -3.074 -10.609 284 HB ILE 67 HB ILE 67 -1.964 -5.199 -9.367 285 1HG1 ILE 67 HG12 ILE 67 0.123 -3.987 -7.537 286 2HG1 ILE 67 HG11 ILE 67 -1.563 -4.253 -7.103 287 1HG2 ILE 67 HG21 ILE 67 0.955 -4.721 -9.585 288 2HG2 ILE 67 HG22 ILE 67 -0.036 -4.436 -11.017 289 3HG2 ILE 67 HG23 ILE 67 -0.035 -6.023 -10.246 290 1HD1 ILE 67 HD11 ILE 67 -1.214 -6.407 -6.663 291 2HD1 ILE 67 HD12 ILE 67 0.499 -5.989 -6.658 292 3HD1 ILE 67 HD13 ILE 67 -0.245 -6.644 -8.117 293 H LYS 68 HN LYS 68 -3.973 -3.799 -10.088 294 HA LYS 68 HA LYS 68 -5.279 -1.988 -8.266 295 1HB LYS 68 HB2 LYS 68 -6.430 -4.193 -9.986 296 2HB LYS 68 HB1 LYS 68 -7.360 -2.968 -9.134 297 1HG LYS 68 HG2 LYS 68 -6.881 -1.353 -10.643 298 2HG LYS 68 HG1 LYS 68 -5.277 -1.999 -10.992 299 1HD LYS 68 HD2 LYS 68 -7.797 -3.391 -11.861 300 2HD LYS 68 HD1 LYS 68 -7.013 -2.156 -12.849 301 1HE LYS 68 HE2 LYS 68 -5.273 -3.501 -13.389 302 2HE LYS 68 HE1 LYS 68 -5.272 -4.308 -11.822 303 1HZ LYS 68 HZ1 LYS 68 -6.084 -5.997 -13.046 304 2HZ LYS 68 HZ2 LYS 68 -6.699 -4.992 -14.260 305 3HZ LYS 68 HZ3 LYS 68 -7.561 -5.202 -12.820 306 H GLY 69 HN GLY 69 -5.378 -2.418 -6.159 307 1HA GLY 69 HA2 GLY 69 -6.649 -3.971 -4.624 308 2HA GLY 69 HA1 GLY 69 -5.650 -5.236 -5.325 309 H PHE 70 HN PHE 70 -3.311 -3.413 -5.442 310 HA PHE 70 HA PHE 70 -2.307 -3.978 -2.810 311 1HB PHE 70 HB2 PHE 70 -0.941 -4.221 -4.889 312 2HB PHE 70 HB1 PHE 70 -0.961 -2.470 -5.062 313 HD1 PHE 70 HD1 PHE 70 -0.222 -1.216 -2.776 314 HD2 PHE 70 HD2 PHE 70 0.937 -5.131 -3.977 315 HE1 PHE 70 HE1 PHE 70 1.755 -1.070 -1.329 316 HE2 PHE 70 HE2 PHE 70 2.922 -4.979 -2.534 317 HZ PHE 70 HZ PHE 70 3.321 -2.962 -1.201 318 H GLU 71 HN GLU 71 -2.055 -0.962 -4.674 319 HA GLU 71 HA GLU 71 -1.503 0.789 -2.675 320 1HB GLU 71 HB2 GLU 71 -2.979 1.049 -5.251 321 2HB GLU 71 HB1 GLU 71 -3.013 2.410 -4.138 322 1HG GLU 71 HG2 GLU 71 -0.542 2.400 -4.114 323 2HG GLU 71 HG1 GLU 71 -0.567 1.113 -5.318 324 H THR 72 HN THR 72 -4.751 -0.275 -3.661 325 HA THR 72 HA THR 72 -6.234 1.375 -1.962 326 HB THR 72 HB THR 72 -7.890 -0.691 -2.156 327 HG1 THR 72 HG1 THR 72 -7.387 -1.861 -4.062 328 1HG2 THR 72 HG21 THR 72 -7.785 1.605 -3.448 329 2HG2 THR 72 HG22 THR 72 -8.854 0.297 -3.954 330 3HG2 THR 72 HG23 THR 72 -7.318 0.551 -4.782 331 H GLY 73 HN GLY 73 -5.118 -1.972 -1.424 332 1HA GLY 73 HA2 GLY 73 -6.279 -2.379 1.069 333 2HA GLY 73 HA1 GLY 73 -4.797 -3.148 0.526 334 H LEU 74 HN LEU 74 -3.543 -0.416 0.249 335 HA LEU 74 HA LEU 74 -2.694 -0.236 3.034 336 1HB LEU 74 HB2 LEU 74 -1.609 0.969 0.489 337 2HB LEU 74 HB1 LEU 74 -0.970 1.353 2.076 338 HG LEU 74 HG LEU 74 0.479 -0.275 1.188 339 1HD1 LEU 74 HD11 LEU 74 -1.112 -0.870 3.450 340 2HD1 LEU 74 HD12 LEU 74 0.535 -1.380 3.105 341 3HD1 LEU 74 HD13 LEU 74 -0.822 -2.379 2.590 342 1HD2 LEU 74 HD21 LEU 74 -1.933 -1.943 0.495 343 2HD2 LEU 74 HD22 LEU 74 -0.247 -2.366 0.201 344 3HD2 LEU 74 HD23 LEU 74 -0.974 -1.002 -0.648 345 H ILE 75 HN ILE 75 -4.396 1.644 0.615 346 HA ILE 75 HA ILE 75 -4.356 4.084 2.108 347 HB ILE 75 HB ILE 75 -5.582 5.072 0.431 348 1HG1 ILE 75 HG12 ILE 75 -6.836 2.383 -0.161 349 2HG1 ILE 75 HG11 ILE 75 -7.618 3.756 0.612 350 1HG2 ILE 75 HG21 ILE 75 -4.865 2.991 -1.463 351 2HG2 ILE 75 HG22 ILE 75 -3.562 3.406 -0.348 352 3HG2 ILE 75 HG23 ILE 75 -4.312 4.656 -1.337 353 1HD1 ILE 75 HD11 ILE 75 -8.370 3.658 -1.634 354 2HD1 ILE 75 HD12 ILE 75 -6.720 3.530 -2.245 355 3HD1 ILE 75 HD13 ILE 75 -7.273 5.032 -1.505 356 H ALA 76 HN ALA 76 -6.202 1.255 2.386 357 HA ALA 76 HA ALA 76 -8.591 2.495 3.380 358 1HB ALA 76 HB1 ALA 76 -9.518 0.442 3.291 359 2HB ALA 76 HB2 ALA 76 -8.112 -0.347 4.006 360 3HB ALA 76 HB3 ALA 76 -8.108 0.080 2.295 361 H MET 77 HN MET 77 -5.596 1.396 4.766 362 HA MET 77 HA MET 77 -6.752 1.755 7.458 363 1HB MET 77 HB2 MET 77 -4.751 -0.103 6.379 364 2HB MET 77 HB1 MET 77 -4.268 0.660 7.888 365 1HG MET 77 HG2 MET 77 -5.836 -0.419 9.100 366 2HG MET 77 HG1 MET 77 -7.007 -0.432 7.783 367 1HE MET 77 HE1 MET 77 -7.928 -2.312 7.804 368 2HE MET 77 HE2 MET 77 -7.234 -3.710 8.625 369 3HE MET 77 HE3 MET 77 -7.320 -3.674 6.864 370 H LYS 78 HN LYS 78 -5.002 2.519 9.090 371 HA LYS 78 HA LYS 78 -4.200 5.133 8.227 372 1HB LYS 78 HB2 LYS 78 -4.965 4.149 10.615 373 2HB LYS 78 HB1 LYS 78 -3.220 4.067 10.819 374 1HG LYS 78 HG2 LYS 78 -3.469 6.569 9.851 375 2HG LYS 78 HG1 LYS 78 -5.008 6.399 10.698 376 1HD LYS 78 HD2 LYS 78 -2.476 5.581 12.057 377 2HD LYS 78 HD1 LYS 78 -2.897 7.292 11.959 378 1HE LYS 78 HE2 LYS 78 -4.039 6.897 13.851 379 2HE LYS 78 HE1 LYS 78 -5.252 6.208 12.774 380 1HZ LYS 78 HZ1 LYS 78 -4.927 4.557 14.336 381 2HZ LYS 78 HZ2 LYS 78 -3.259 4.818 14.442 382 3HZ LYS 78 HZ3 LYS 78 -3.909 4.055 13.080 383 H VAL 79 HN VAL 79 -1.744 5.310 9.855 384 HA VAL 79 HA VAL 79 0.064 4.007 7.950 385 HB VAL 79 HB VAL 79 0.268 6.497 9.640 386 1HG1 VAL 79 HG11 VAL 79 2.364 5.382 10.021 387 2HG1 VAL 79 HG12 VAL 79 2.621 6.719 8.900 388 3HG1 VAL 79 HG13 VAL 79 2.551 5.065 8.299 389 1HG2 VAL 79 HG21 VAL 79 -0.662 6.989 7.564 390 2HG2 VAL 79 HG22 VAL 79 0.399 5.865 6.715 391 3HG2 VAL 79 HG23 VAL 79 1.046 7.375 7.358 392 H ASN 80 HN ASN 80 2.122 3.204 8.842 393 HA ASN 80 HA ASN 80 3.367 1.952 10.275 394 1HB ASN 80 HB2 ASN 80 2.619 4.042 11.802 395 2HB ASN 80 HB1 ASN 80 1.841 2.738 12.694 396 1HD2 ASN 80 HD21 ASN 80 3.541 0.695 12.530 397 2HD2 ASN 80 HD22 ASN 80 5.064 1.091 13.242 398 H GLN 81 HN GLN 81 0.651 1.131 9.210 399 HA GLN 81 HA GLN 81 -0.059 -0.907 11.203 400 1HB GLN 81 HB2 GLN 81 -1.555 0.630 9.254 401 2HB GLN 81 HB1 GLN 81 -1.847 -1.093 9.059 402 1HG GLN 81 HG2 GLN 81 -3.445 -0.680 10.588 403 2HG GLN 81 HG1 GLN 81 -2.105 -0.924 11.708 404 1HE2 GLN 81 HE21 GLN 81 -1.277 0.803 12.826 405 2HE2 GLN 81 HE22 GLN 81 -2.037 2.354 12.863 406 H LYS 82 HN LYS 82 0.561 -2.950 10.937 407 HA LYS 82 HA LYS 82 1.890 -3.712 8.468 408 1HB LYS 82 HB2 LYS 82 2.194 -4.389 11.195 409 2HB LYS 82 HB1 LYS 82 1.715 -5.863 10.365 410 1HG LYS 82 HG2 LYS 82 3.623 -4.799 8.695 411 2HG LYS 82 HG1 LYS 82 4.236 -4.421 10.306 412 1HD LYS 82 HD2 LYS 82 3.204 -7.164 9.774 413 2HD LYS 82 HD1 LYS 82 4.786 -6.715 9.133 414 1HE LYS 82 HE2 LYS 82 5.475 -6.038 11.407 415 2HE LYS 82 HE1 LYS 82 3.915 -6.585 12.018 416 1HZ LYS 82 HZ1 LYS 82 4.633 -8.670 12.072 417 2HZ LYS 82 HZ2 LYS 82 6.190 -8.095 11.745 418 3HZ LYS 82 HZ3 LYS 82 5.195 -8.609 10.477 419 H LYS 83 HN LYS 83 0.261 -3.954 6.978 420 HA LYS 83 HA LYS 83 -1.874 -5.857 7.575 421 1HB LYS 83 HB2 LYS 83 -2.029 -3.477 6.359 422 2HB LYS 83 HB1 LYS 83 -1.746 -4.486 4.947 423 1HG LYS 83 HG2 LYS 83 -3.677 -5.924 6.060 424 2HG LYS 83 HG1 LYS 83 -4.091 -4.354 6.751 425 1HD LYS 83 HD2 LYS 83 -3.846 -3.499 4.314 426 2HD LYS 83 HD1 LYS 83 -4.019 -5.200 3.879 427 1HE LYS 83 HE2 LYS 83 -6.050 -4.788 5.704 428 2HE LYS 83 HE1 LYS 83 -6.019 -3.288 4.777 429 1HZ LYS 83 HZ1 LYS 83 -5.834 -5.138 2.842 430 2HZ LYS 83 HZ2 LYS 83 -7.286 -4.436 3.354 431 3HZ LYS 83 HZ3 LYS 83 -6.815 -5.942 3.963 432 H THR 84 HN THR 84 -0.922 -7.864 7.403 433 HA THR 84 HA THR 84 0.678 -8.544 5.086 434 HB THR 84 HB THR 84 -0.361 -10.570 7.036 435 HG1 THR 84 HG1 THR 84 0.762 -9.781 8.621 436 1HG2 THR 84 HG21 THR 84 1.737 -10.459 5.077 437 2HG2 THR 84 HG22 THR 84 1.108 -11.838 5.979 438 3HG2 THR 84 HG23 THR 84 2.383 -10.837 6.674 439 H LEU 85 HN LEU 85 -1.060 -8.004 3.565 440 HA LEU 85 HA LEU 85 -3.309 -9.847 3.469 441 1HB LEU 85 HB2 LEU 85 -3.723 -7.490 3.066 442 2HB LEU 85 HB1 LEU 85 -2.574 -7.488 1.742 443 HG LEU 85 HG LEU 85 -4.842 -9.389 1.546 444 1HD1 LEU 85 HD11 LEU 85 -5.145 -6.412 1.172 445 2HD1 LEU 85 HD12 LEU 85 -5.976 -7.412 2.364 446 3HD1 LEU 85 HD13 LEU 85 -6.309 -7.628 0.645 447 1HD2 LEU 85 HD21 LEU 85 -4.413 -9.287 -0.670 448 2HD2 LEU 85 HD22 LEU 85 -2.836 -8.739 -0.103 449 3HD2 LEU 85 HD23 LEU 85 -4.040 -7.564 -0.631 450 H ALA 86 HN ALA 86 -3.583 -11.454 2.017 451 HA ALA 86 HA ALA 86 -1.296 -12.185 0.374 452 1HB ALA 86 HB1 ALA 86 -2.208 -13.944 1.719 453 2HB ALA 86 HB2 ALA 86 -2.557 -14.306 0.028 454 3HB ALA 86 HB3 ALA 86 -3.825 -13.663 1.073 455 H LEU 87 HN LEU 87 -1.528 -10.521 -1.222 456 HA LEU 87 HA LEU 87 -3.936 -10.548 -2.843 457 1HB LEU 87 HB2 LEU 87 -2.698 -8.725 -4.113 458 2HB LEU 87 HB1 LEU 87 -3.218 -8.377 -2.478 459 HG LEU 87 HG LEU 87 -0.542 -9.429 -2.427 460 1HD1 LEU 87 HD11 LEU 87 -1.133 -7.681 -4.663 461 2HD1 LEU 87 HD12 LEU 87 0.331 -8.590 -4.293 462 3HD1 LEU 87 HD13 LEU 87 0.081 -6.996 -3.583 463 1HD2 LEU 87 HD21 LEU 87 -1.010 -8.166 -0.602 464 2HD2 LEU 87 HD22 LEU 87 -2.050 -7.058 -1.498 465 3HD2 LEU 87 HD23 LEU 87 -0.296 -6.902 -1.604 466 H THR 88 HN THR 88 -3.850 -10.662 -5.168 467 HA THR 88 HA THR 88 -2.045 -12.773 -6.055 468 HB THR 88 HB THR 88 -3.976 -11.658 -7.983 469 HG1 THR 88 HG1 THR 88 -5.775 -12.428 -6.924 470 1HG2 THR 88 HG21 THR 88 -2.646 -13.944 -7.929 471 2HG2 THR 88 HG22 THR 88 -4.239 -13.797 -8.671 472 3HG2 THR 88 HG23 THR 88 -4.081 -14.461 -7.044 473 H PHE 89 HN PHE 89 -1.487 -12.440 -8.538 474 HA PHE 89 HA PHE 89 -0.305 -9.754 -8.793 475 1HB PHE 89 HB2 PHE 89 0.878 -12.463 -9.238 476 2HB PHE 89 HB1 PHE 89 1.422 -11.130 -10.237 477 HD1 PHE 89 HD1 PHE 89 2.631 -12.948 -7.844 478 HD2 PHE 89 HD2 PHE 89 1.456 -8.898 -8.344 479 HE1 PHE 89 HE1 PHE 89 4.229 -12.287 -6.106 480 HE2 PHE 89 HE2 PHE 89 3.053 -8.221 -6.598 481 HZ PHE 89 HZ PHE 89 4.448 -9.924 -5.483 482 HA PRO 90 HA PRO 90 -2.990 -10.099 -12.432 483 1HB PRO 90 HB2 PRO 90 -3.115 -7.460 -12.954 484 2HB PRO 90 HB1 PRO 90 -4.044 -8.202 -11.645 485 1HG PRO 90 HG2 PRO 90 -1.434 -6.725 -11.511 486 2HG PRO 90 HG1 PRO 90 -2.867 -6.556 -10.476 487 1HD PRO 90 HD2 PRO 90 -0.708 -8.009 -9.736 488 2HD PRO 90 HD1 PRO 90 -2.359 -8.442 -9.248 489 H SER 91 HN SER 91 -2.809 -9.358 -14.692 490 HA SER 91 HA SER 91 -0.279 -9.882 -15.770 491 1HB SER 91 HB2 SER 91 -2.619 -8.480 -17.085 492 2HB SER 91 HB1 SER 91 -1.251 -9.212 -17.924 493 HG SER 91 HG SER 91 -1.903 -11.227 -17.022 494 H ASP 92 HN ASP 92 -1.870 -6.910 -14.886 495 HA ASP 92 HA ASP 92 -0.496 -4.973 -16.218 496 1HB ASP 92 HB2 ASP 92 -2.257 -4.935 -14.183 497 2HB ASP 92 HB1 ASP 92 -0.795 -4.494 -13.306 498 H TYR 93 HN TYR 93 0.683 -6.910 -13.520 499 HA TYR 93 HA TYR 93 2.896 -5.542 -12.710 500 1HB TYR 93 HB2 TYR 93 1.957 -8.160 -12.424 501 2HB TYR 93 HB1 TYR 93 3.605 -8.321 -13.026 502 HD1 TYR 93 HD1 TYR 93 1.519 -7.368 -10.214 503 HD2 TYR 93 HD2 TYR 93 5.489 -7.343 -11.743 504 HE1 TYR 93 HE1 TYR 93 2.379 -6.899 -7.959 505 HE2 TYR 93 HE2 TYR 93 6.360 -6.878 -9.491 506 HH TYR 93 HH TYR 93 5.095 -5.660 -7.245 507 H HIS 94 HN HIS 94 4.955 -5.202 -13.365 508 HA HIS 94 HA HIS 94 5.478 -5.057 -16.110 509 1HB HIS 94 HB2 HIS 94 6.579 -3.904 -13.957 510 2HB HIS 94 HB1 HIS 94 7.788 -5.150 -14.247 511 HD1 HIS 94 HD1 HIS 94 6.686 -1.859 -15.395 512 HD2 HIS 94 HD2 HIS 94 9.005 -4.971 -16.880 513 HE1 HIS 94 HE1 HIS 94 7.988 -0.874 -17.308 514 HE2 HIS 94 HE2 HIS 94 9.447 -2.754 -18.136 515 H VAL 95 HN VAL 95 6.062 -7.624 -13.815 516 HA VAL 95 HA VAL 95 7.747 -9.009 -15.756 517 HB VAL 95 HB VAL 95 8.562 -8.942 -13.454 518 1HG1 VAL 95 HG11 VAL 95 6.056 -9.189 -12.637 519 2HG1 VAL 95 HG12 VAL 95 7.430 -9.690 -11.648 520 3HG1 VAL 95 HG13 VAL 95 6.523 -10.893 -12.567 521 1HG2 VAL 95 HG21 VAL 95 8.287 -11.242 -15.115 522 2HG2 VAL 95 HG22 VAL 95 8.218 -11.751 -13.428 523 3HG2 VAL 95 HG23 VAL 95 9.599 -10.823 -14.013 524 H LYS 96 HN LYS 96 7.206 -10.792 -16.770 525 HA LYS 96 HA LYS 96 4.567 -11.406 -17.374 526 1HB LYS 96 HB2 LYS 96 6.872 -12.113 -18.477 527 2HB LYS 96 HB1 LYS 96 6.592 -13.586 -17.559 528 1HG LYS 96 HG2 LYS 96 4.371 -12.534 -19.225 529 2HG LYS 96 HG1 LYS 96 5.736 -13.308 -20.034 530 1HD LYS 96 HD2 LYS 96 4.549 -14.695 -17.691 531 2HD LYS 96 HD1 LYS 96 3.622 -14.683 -19.193 532 1HE LYS 96 HE2 LYS 96 6.489 -15.586 -18.949 533 2HE LYS 96 HE1 LYS 96 5.096 -16.665 -18.947 534 1HZ LYS 96 HZ1 LYS 96 5.347 -16.715 -21.142 535 2HZ LYS 96 HZ2 LYS 96 6.412 -15.401 -21.150 536 3HZ LYS 96 HZ3 LYS 96 4.742 -15.134 -21.173 537 H GLU 97 HN GLU 97 6.731 -13.060 -15.108 538 HA GLU 97 HA GLU 97 5.086 -15.153 -14.374 539 1HB GLU 97 HB2 GLU 97 7.452 -14.963 -13.747 540 2HB GLU 97 HB1 GLU 97 7.043 -13.676 -12.621 541 1HG GLU 97 HG2 GLU 97 7.001 -15.339 -11.125 542 2HG GLU 97 HG1 GLU 97 5.380 -15.612 -11.760 543 H LEU 98 HN LEU 98 5.200 -11.900 -12.982 544 HA LEU 98 HA LEU 98 3.202 -12.547 -11.026 545 1HB LEU 98 HB2 LEU 98 4.739 -10.106 -11.730 546 2HB LEU 98 HB1 LEU 98 3.256 -9.915 -10.828 547 HG LEU 98 HG LEU 98 4.209 -10.556 -8.924 548 1HD1 LEU 98 HD11 LEU 98 4.107 -12.890 -9.367 549 2HD1 LEU 98 HD12 LEU 98 5.714 -12.550 -8.722 550 3HD1 LEU 98 HD13 LEU 98 5.495 -12.800 -10.453 551 1HD2 LEU 98 HD21 LEU 98 6.065 -9.258 -10.322 552 2HD2 LEU 98 HD22 LEU 98 6.926 -10.773 -10.061 553 3HD2 LEU 98 HD23 LEU 98 6.346 -9.839 -8.679 554 H GLN 99 HN GLN 99 2.532 -12.884 -13.831 555 HA GLN 99 HA GLN 99 0.496 -10.885 -14.308 556 1HB GLN 99 HB2 GLN 99 1.413 -13.344 -15.800 557 2HB GLN 99 HB1 GLN 99 -0.058 -12.492 -16.249 558 1HG GLN 99 HG2 GLN 99 1.205 -10.476 -16.691 559 2HG GLN 99 HG1 GLN 99 2.687 -11.259 -16.149 560 1HE2 GLN 99 HE21 GLN 99 1.321 -10.205 -18.795 561 2HE2 GLN 99 HE22 GLN 99 1.822 -11.391 -19.947 562 H SER 100 HN SER 100 0.876 -14.205 -13.221 563 HA SER 100 HA SER 100 -1.870 -14.137 -12.181 564 1HB SER 100 HB2 SER 100 -0.756 -16.486 -13.727 565 2HB SER 100 HB1 SER 100 -2.357 -16.377 -12.995 566 HG SER 100 HG SER 100 -1.349 -14.758 -15.099 567 H LYS 101 HN LYS 101 0.184 -13.694 -10.489 568 HA LYS 101 HA LYS 101 0.615 -16.310 -9.203 569 1HB LYS 101 HB2 LYS 101 2.533 -14.426 -10.054 570 2HB LYS 101 HB1 LYS 101 2.557 -14.440 -8.297 571 1HG LYS 101 HG2 LYS 101 2.447 -17.114 -8.980 572 2HG LYS 101 HG1 LYS 101 3.540 -16.405 -10.170 573 1HD LYS 101 HD2 LYS 101 5.066 -16.784 -8.535 574 2HD LYS 101 HD1 LYS 101 4.477 -15.225 -7.952 575 1HE LYS 101 HE2 LYS 101 4.355 -16.504 -6.040 576 2HE LYS 101 HE1 LYS 101 2.723 -16.680 -6.685 577 1HZ LYS 101 HZ1 LYS 101 3.870 -18.777 -5.925 578 2HZ LYS 101 HZ2 LYS 101 4.873 -18.627 -7.278 579 3HZ LYS 101 HZ3 LYS 101 3.205 -18.819 -7.480 580 HA PRO 102 HA PRO 102 -1.733 -14.294 -5.870 581 1HB PRO 102 HB2 PRO 102 -1.766 -16.971 -4.702 582 2HB PRO 102 HB1 PRO 102 -3.121 -15.978 -5.243 583 1HG PRO 102 HG2 PRO 102 -2.354 -18.224 -6.540 584 2HG PRO 102 HG1 PRO 102 -3.068 -16.832 -7.375 585 1HD PRO 102 HD2 PRO 102 -0.192 -17.643 -7.167 586 2HD PRO 102 HD1 PRO 102 -1.090 -17.020 -8.566 587 H VAL 103 HN VAL 103 -0.046 -13.146 -4.930 588 HA VAL 103 HA VAL 103 1.904 -14.617 -3.305 589 HB VAL 103 HB VAL 103 2.794 -13.061 -4.933 590 1HG1 VAL 103 HG11 VAL 103 0.837 -11.230 -3.673 591 2HG1 VAL 103 HG12 VAL 103 1.358 -11.355 -5.354 592 3HG1 VAL 103 HG13 VAL 103 2.377 -10.531 -4.175 593 1HG2 VAL 103 HG21 VAL 103 4.350 -11.940 -3.545 594 2HG2 VAL 103 HG22 VAL 103 3.893 -13.408 -2.681 595 3HG2 VAL 103 HG23 VAL 103 3.205 -11.855 -2.207 596 H THR 104 HN THR 104 2.547 -13.818 -1.245 597 HA THR 104 HA THR 104 0.375 -12.576 0.295 598 HB THR 104 HB THR 104 2.495 -13.789 1.870 599 HG1 THR 104 HG1 THR 104 0.969 -15.540 0.253 600 1HG2 THR 104 HG21 THR 104 -0.280 -13.391 2.063 601 2HG2 THR 104 HG22 THR 104 0.818 -14.055 3.273 602 3HG2 THR 104 HG23 THR 104 0.003 -15.130 2.137 603 H PHE 105 HN PHE 105 0.751 -10.442 0.313 604 HA PHE 105 HA PHE 105 3.505 -9.494 0.567 605 1HB PHE 105 HB2 PHE 105 0.928 -8.242 -0.293 606 2HB PHE 105 HB1 PHE 105 2.224 -7.218 0.292 607 HD1 PHE 105 HD1 PHE 105 3.822 -9.915 -1.201 608 HD2 PHE 105 HD2 PHE 105 1.552 -6.452 -2.168 609 HE1 PHE 105 HE1 PHE 105 4.834 -9.878 -3.439 610 HE2 PHE 105 HE2 PHE 105 2.563 -6.406 -4.407 611 HZ PHE 105 HZ PHE 105 4.210 -8.114 -5.042 612 H GLU 106 HN GLU 106 4.317 -8.632 2.328 613 HA GLU 106 HA GLU 106 2.564 -8.132 4.634 614 1HB GLU 106 HB2 GLU 106 4.276 -9.487 5.443 615 2HB GLU 106 HB1 GLU 106 5.457 -8.845 4.312 616 1HG GLU 106 HG2 GLU 106 5.941 -7.024 5.637 617 2HG GLU 106 HG1 GLU 106 4.396 -7.098 6.484 618 H VAL 107 HN VAL 107 1.754 -6.159 3.825 619 HA VAL 107 HA VAL 107 3.664 -4.077 3.152 620 HB VAL 107 HB VAL 107 0.866 -3.245 3.195 621 1HG1 VAL 107 HG11 VAL 107 3.236 -2.591 1.903 622 2HG1 VAL 107 HG12 VAL 107 1.638 -1.913 1.589 623 3HG1 VAL 107 HG13 VAL 107 2.217 -3.279 0.637 624 1HG2 VAL 107 HG21 VAL 107 0.221 -5.410 2.586 625 2HG2 VAL 107 HG22 VAL 107 1.670 -5.671 1.616 626 3HG2 VAL 107 HG23 VAL 107 0.411 -4.577 1.043 627 H VAL 108 HN VAL 108 4.543 -2.991 4.783 628 HA VAL 108 HA VAL 108 3.087 -2.519 7.229 629 HB VAL 108 HB VAL 108 5.842 -2.500 6.303 630 1HG1 VAL 108 HG11 VAL 108 6.520 -0.780 8.125 631 2HG1 VAL 108 HG12 VAL 108 4.895 -0.137 7.896 632 3HG1 VAL 108 HG13 VAL 108 6.023 -0.189 6.540 633 1HG2 VAL 108 HG21 VAL 108 4.423 -2.852 8.917 634 2HG2 VAL 108 HG22 VAL 108 6.184 -2.806 8.829 635 3HG2 VAL 108 HG23 VAL 108 5.289 -4.043 7.946 636 H LEU 109 HN LEU 109 1.429 -1.208 6.624 637 HA LEU 109 HA LEU 109 1.301 0.830 4.858 638 1HB LEU 109 HB2 LEU 109 -0.386 -0.288 6.627 639 2HB LEU 109 HB1 LEU 109 -0.217 1.320 7.308 640 HG LEU 109 HG LEU 109 -1.075 0.690 4.485 641 1HD1 LEU 109 HD11 LEU 109 -2.529 0.984 6.987 642 2HD1 LEU 109 HD12 LEU 109 -3.057 0.336 5.434 643 3HD1 LEU 109 HD13 LEU 109 -3.094 2.075 5.723 644 1HD2 LEU 109 HD21 LEU 109 -0.585 3.271 5.934 645 2HD2 LEU 109 HD22 LEU 109 -1.650 3.170 4.532 646 3HD2 LEU 109 HD23 LEU 109 0.054 2.739 4.379 647 H LYS 110 HN LYS 110 3.460 1.974 5.073 648 HA LYS 110 HA LYS 110 3.322 4.034 7.172 649 1HB LYS 110 HB2 LYS 110 5.512 2.561 6.001 650 2HB LYS 110 HB1 LYS 110 5.730 4.281 5.712 651 1HG LYS 110 HG2 LYS 110 5.308 4.597 8.197 652 2HG LYS 110 HG1 LYS 110 5.505 2.849 8.337 653 1HD LYS 110 HD2 LYS 110 7.720 3.050 8.286 654 2HD LYS 110 HD1 LYS 110 7.643 3.943 6.766 655 1HE LYS 110 HE2 LYS 110 8.763 5.242 8.506 656 2HE LYS 110 HE1 LYS 110 7.265 6.016 7.991 657 1HZ LYS 110 HZ1 LYS 110 6.252 4.769 9.977 658 2HZ LYS 110 HZ2 LYS 110 7.177 6.152 10.282 659 3HZ LYS 110 HZ3 LYS 110 7.848 4.618 10.520 660 H ALA 111 HN ALA 111 2.662 6.088 6.455 661 HA ALA 111 HA ALA 111 2.824 6.489 3.545 662 1HB ALA 111 HB1 ALA 111 0.570 5.777 4.319 663 2HB ALA 111 HB2 ALA 111 0.628 7.283 3.402 664 3HB ALA 111 HB3 ALA 111 0.446 7.325 5.156 665 H ILE 112 HN ILE 112 3.573 8.238 2.827 666 HA ILE 112 HA ILE 112 3.863 10.616 4.551 667 HB ILE 112 HB ILE 112 5.522 9.662 2.220 668 1HG1 ILE 112 HG12 ILE 112 5.838 8.636 4.516 669 2HG1 ILE 112 HG11 ILE 112 7.272 9.375 3.811 670 1HG2 ILE 112 HG21 ILE 112 5.782 11.870 1.820 671 2HG2 ILE 112 HG22 ILE 112 6.906 11.763 3.176 672 3HG2 ILE 112 HG23 ILE 112 5.258 12.335 3.439 673 1HD1 ILE 112 HD11 ILE 112 5.512 10.865 5.722 674 2HD1 ILE 112 HD12 ILE 112 7.185 11.193 5.272 675 3HD1 ILE 112 HD13 ILE 112 6.800 9.795 6.276 676 H LYS 113 HN LYS 113 2.894 12.575 3.741 677 HA LYS 113 HA LYS 113 1.478 12.281 1.206 678 1HB LYS 113 HB2 LYS 113 1.167 14.593 3.106 679 2HB LYS 113 HB1 LYS 113 0.015 13.973 1.933 680 1HG LYS 113 HG2 LYS 113 -0.091 11.878 3.355 681 2HG LYS 113 HG1 LYS 113 0.782 12.795 4.584 682 1HD LYS 113 HD2 LYS 113 -1.839 13.632 3.345 683 2HD LYS 113 HD1 LYS 113 -1.675 12.822 4.905 684 1HE LYS 113 HE2 LYS 113 -1.588 14.891 5.757 685 2HE LYS 113 HE1 LYS 113 0.071 14.906 5.161 686 1HZ LYS 113 HZ1 LYS 113 -0.761 16.816 4.247 687 2HZ LYS 113 HZ2 LYS 113 -2.317 16.188 4.033 688 3HZ LYS 113 HZ3 LYS 113 -1.069 15.727 2.989
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