NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9529 | 1o6x | 5561 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 30.069 -25.972 1.377 2 HA MET 1 HA MET 1 30.627 -24.023 2.168 3 1HB MET 1 1HB MET 1 32.461 -24.329 -0.229 4 2HB MET 1 2HB MET 1 32.485 -22.799 0.624 5 1HG MET 1 1HG MET 1 33.425 -23.716 2.544 6 2HG MET 1 2HG MET 1 32.618 -25.259 2.338 7 1HE MET 1 3HE MET 1 35.243 -25.733 3.283 8 2HE MET 1 1HE MET 1 34.398 -27.061 2.453 9 3HE MET 1 2HE MET 1 36.104 -26.716 2.075 10 QB MET 1 QB MET 1 32.473 -23.564 0.198 11 QG MET 1 QG MET 1 33.022 -24.488 2.441 12 ME MET 1 QE MET 1 35.249 -26.503 2.604 13 H ARG 2 H ARG 2 28.271 -23.499 1.458 14 HA ARG 2 HA ARG 2 28.442 -21.024 0.002 15 1HB ARG 2 1HB ARG 2 26.829 -23.434 -0.851 16 2HB ARG 2 2HB ARG 2 26.118 -21.851 -1.094 17 1HG ARG 2 1HG ARG 2 28.965 -22.380 -1.998 18 2HG ARG 2 2HG ARG 2 27.623 -22.912 -2.991 19 1HD ARG 2 1HD ARG 2 26.783 -20.649 -3.240 20 2HD ARG 2 2HD ARG 2 27.837 -20.043 -1.979 21 HE ARG 2 HE ARG 2 29.499 -21.221 -3.961 22 1HH1 ARG 2 2HH1 ARG 2 30.571 -19.951 -5.531 23 2HH1 ARG 2 1HH1 ARG 2 29.984 -18.367 -5.911 24 1HH2 ARG 2 2HH2 ARG 2 27.296 -18.495 -3.639 25 2HH2 ARG 2 1HH2 ARG 2 28.109 -17.533 -4.828 26 QB ARG 2 QB ARG 2 26.473 -22.642 -0.972 27 QG ARG 2 QG ARG 2 28.294 -22.646 -2.495 28 QD ARG 2 QD ARG 2 27.310 -20.346 -2.609 29 QH1 ARG 2 QH1 ARG 2 30.278 -19.159 -5.721 30 QH2 ARG 2 QH2 ARG 2 27.702 -18.014 -4.234 31 H SER 3 H SER 3 26.230 -19.794 0.214 32 HA SER 3 HA SER 3 24.330 -20.616 2.020 33 1HB SER 3 1HB SER 3 26.134 -20.479 3.714 34 2HB SER 3 2HB SER 3 26.459 -18.818 3.261 35 HG SER 3 HG SER 3 23.870 -19.699 4.201 36 QB SER 3 QB SER 3 26.297 -19.648 3.487 37 H LEU 4 H LEU 4 22.662 -18.962 2.288 38 HA LEU 4 HA LEU 4 23.218 -16.367 1.125 39 1HB LEU 4 1HB LEU 4 21.069 -18.159 -0.010 40 2HB LEU 4 2HB LEU 4 21.399 -16.502 -0.473 41 HG LEU 4 HG LEU 4 23.450 -18.701 -0.784 42 1HD1 LEU 4 1HD1 LEU 4 20.988 -18.537 -2.156 43 2HD1 LEU 4 2HD1 LEU 4 22.238 -17.968 -3.285 44 3HD1 LEU 4 3HD1 LEU 4 22.389 -19.570 -2.526 45 1HD2 LEU 4 3HD2 LEU 4 24.311 -16.411 -0.821 46 2HD2 LEU 4 1HD2 LEU 4 24.451 -17.185 -2.418 47 3HD2 LEU 4 2HD2 LEU 4 23.163 -15.993 -2.116 48 MD1 LEU 4 QD1 LEU 4 21.872 -18.692 -2.656 49 MD2 LEU 4 QD2 LEU 4 23.975 -16.530 -1.785 50 QB LEU 4 QB LEU 4 21.234 -17.331 -0.242 51 QD LEU 4 QQD LEU 4 22.923 -17.611 -2.220 52 H GLU 5 H GLU 5 21.772 -14.749 1.855 53 HA GLU 5 HA GLU 5 19.957 -15.732 3.918 54 1HB GLU 5 1HB GLU 5 22.111 -14.272 4.488 55 2HB GLU 5 2HB GLU 5 21.100 -12.936 3.976 56 1HG GLU 5 1HG GLU 5 20.423 -12.964 6.173 57 2HG GLU 5 2HG GLU 5 19.322 -14.202 5.601 58 QB GLU 5 QB GLU 5 21.605 -13.604 4.232 59 QG GLU 5 QG GLU 5 19.872 -13.583 5.887 60 H THR 6 H THR 6 17.945 -14.478 4.235 61 HA THR 6 HA THR 6 17.261 -12.495 2.273 62 HB THR 6 HB THR 6 15.290 -13.996 1.467 63 HG1 THR 6 HG1 THR 6 15.526 -15.697 3.004 64 1HG2 THR 6 3HG2 THR 6 17.512 -13.563 0.152 65 2HG2 THR 6 1HG2 THR 6 18.016 -15.160 0.754 66 3HG2 THR 6 2HG2 THR 6 16.578 -15.014 -0.283 67 MG THR 6 QG2 THR 6 17.368 -14.579 0.208 68 H PHE 7 H PHE 7 14.782 -11.966 2.540 69 HA PHE 7 HA PHE 7 13.587 -12.634 4.990 70 1HB PHE 7 1HB PHE 7 15.402 -10.215 4.743 71 2HB PHE 7 2HB PHE 7 13.910 -9.982 5.633 72 HD1 PHE 7 HD1 PHE 7 17.260 -10.788 5.970 73 HD2 PHE 7 HD2 PHE 7 13.445 -11.964 7.407 74 HE1 PHE 7 HE1 PHE 7 18.332 -11.761 8.020 75 HE2 PHE 7 HE2 PHE 7 14.516 -12.937 9.458 76 HZ PHE 7 HZ PHE 7 16.948 -12.824 9.740 77 QB PHE 7 QB PHE 7 14.656 -10.099 5.188 78 QD PHE 7 QD PHE 7 15.352 -11.376 6.688 79 QE PHE 7 QE PHE 7 16.424 -12.349 8.739 80 QR PHE 7 QR PHE 7 16.100 -12.055 8.119 81 H VAL 8 H VAL 8 11.915 -10.572 5.513 82 HA VAL 8 HA VAL 8 10.977 -9.469 3.004 83 HB VAL 8 HB VAL 8 9.017 -11.009 4.667 84 1HG1 VAL 8 2HG1 VAL 8 9.064 -9.597 2.100 85 2HG1 VAL 8 3HG1 VAL 8 8.365 -11.229 1.982 86 3HG1 VAL 8 1HG1 VAL 8 7.688 -10.053 3.133 87 1HG2 VAL 8 2HG2 VAL 8 10.748 -12.191 2.469 88 2HG2 VAL 8 3HG2 VAL 8 10.763 -12.642 4.190 89 3HG2 VAL 8 1HG2 VAL 8 9.325 -12.974 3.195 90 MG1 VAL 8 QG1 VAL 8 8.372 -10.293 2.405 91 MG2 VAL 8 QG2 VAL 8 10.279 -12.602 3.285 92 QG VAL 8 QQG VAL 8 9.326 -11.448 2.845 93 H GLY 9 H GLY 9 8.648 -8.317 3.727 94 1HA GLY 9 2HA GLY 9 9.505 -6.353 5.645 95 2HA GLY 9 1HA GLY 9 8.210 -7.373 6.240 96 QA GLY 9 QA GLY 9 8.857 -6.863 5.942 97 H ASP 10 H ASP 10 6.108 -6.917 5.658 98 HA ASP 10 HA ASP 10 5.653 -5.501 3.210 99 1HB ASP 10 1HB ASP 10 3.997 -6.930 5.267 100 2HB ASP 10 2HB ASP 10 3.192 -5.652 4.378 101 QB ASP 10 QB ASP 10 3.594 -6.291 4.822 102 H GLN 11 H GLN 11 3.498 -3.837 3.743 103 HA GLN 11 HA GLN 11 3.714 -2.380 6.104 104 1HB GLN 11 1HB GLN 11 5.891 -1.749 4.792 105 2HB GLN 11 2HB GLN 11 4.829 -0.826 3.748 106 1HG GLN 11 1HG GLN 11 3.917 0.325 5.847 107 2HG GLN 11 2HG GLN 11 5.177 -0.480 6.760 108 1HE2 GLN 11 1HE2 GLN 11 4.403 1.946 4.406 109 2HE2 GLN 11 2HE2 GLN 11 5.939 2.744 4.340 110 QB GLN 11 QB GLN 11 5.360 -1.288 4.270 111 QG GLN 11 QG GLN 11 4.547 -0.078 6.304 112 QE GLN 11 QE2 GLN 11 5.171 2.345 4.373 113 H VAL 12 H VAL 12 1.807 -1.243 6.360 114 HA VAL 12 HA VAL 12 0.015 -1.260 4.081 115 HB VAL 12 HB VAL 12 -0.751 -0.185 6.750 116 1HG1 VAL 12 3HG1 VAL 12 -2.053 -1.967 4.670 117 2HG1 VAL 12 1HG1 VAL 12 -2.786 -1.593 6.248 118 3HG1 VAL 12 2HG1 VAL 12 -2.464 -0.286 5.084 119 1HG2 VAL 12 2HG2 VAL 12 0.132 -3.019 6.241 120 2HG2 VAL 12 3HG2 VAL 12 0.449 -1.968 7.641 121 3HG2 VAL 12 1HG2 VAL 12 -1.167 -2.675 7.408 122 MG1 VAL 12 QG1 VAL 12 -2.434 -1.282 5.334 123 MG2 VAL 12 QG2 VAL 12 -0.195 -2.554 7.097 124 QG VAL 12 QQG VAL 12 -1.315 -1.918 6.215 125 H LEU 13 H LEU 13 -1.432 0.781 3.835 126 HA LEU 13 HA LEU 13 -0.179 3.251 4.556 127 1HB LEU 13 1HB LEU 13 0.594 3.985 2.533 128 2HB LEU 13 2HB LEU 13 1.103 2.308 2.539 129 HG LEU 13 HG LEU 13 -1.424 2.274 1.320 130 1HD1 LEU 13 3HD1 LEU 13 0.201 4.643 0.362 131 2HD1 LEU 13 1HD1 LEU 13 -1.137 3.900 -0.546 132 3HD1 LEU 13 2HD1 LEU 13 -1.447 4.656 1.035 133 1HD2 LEU 13 3HD2 LEU 13 1.023 1.204 0.879 134 2HD2 LEU 13 1HD2 LEU 13 -0.325 1.134 -0.282 135 3HD2 LEU 13 2HD2 LEU 13 0.938 2.376 -0.458 136 MD1 LEU 13 QD1 LEU 13 -0.794 4.400 0.284 137 MD2 LEU 13 QD2 LEU 13 0.545 1.571 0.046 138 QB LEU 13 QB LEU 13 0.849 3.146 2.536 139 QD LEU 13 QQD LEU 13 -0.125 2.985 0.165 140 H GLU 14 H GLU 14 -1.610 5.036 4.284 141 HA GLU 14 HA GLU 14 -4.325 4.135 3.810 142 1HB GLU 14 1HB GLU 14 -3.594 6.848 4.934 143 2HB GLU 14 2HB GLU 14 -5.046 5.905 5.203 144 1HG GLU 14 1HG GLU 14 -4.093 5.149 7.119 145 2HG GLU 14 2HG GLU 14 -2.996 4.215 6.123 146 QB GLU 14 QB GLU 14 -4.320 6.376 5.069 147 QG GLU 14 QG GLU 14 -3.545 4.682 6.621 148 H ILE 15 H ILE 15 -5.404 4.695 1.963 149 HA ILE 15 HA ILE 15 -4.251 6.903 0.404 150 HB ILE 15 HB ILE 15 -5.718 4.477 -0.635 151 1HG1 ILE 15 1HG1 ILE 15 -2.783 4.903 -1.052 152 2HG1 ILE 15 2HG1 ILE 15 -3.320 4.249 0.482 153 1HG2 ILE 15 1HG2 ILE 15 -5.566 6.845 -1.859 154 2HG2 ILE 15 2HG2 ILE 15 -3.986 6.187 -2.347 155 3HG2 ILE 15 3HG2 ILE 15 -5.478 5.300 -2.737 156 1HD1 ILE 15 3HD1 ILE 15 -4.503 3.051 -2.012 157 2HD1 ILE 15 1HD1 ILE 15 -2.811 2.660 -1.621 158 3HD1 ILE 15 2HD1 ILE 15 -4.105 2.275 -0.461 159 MG ILE 15 QG2 ILE 15 -5.010 6.110 -2.314 160 MD ILE 15 QD1 ILE 15 -3.807 2.662 -1.365 161 QG ILE 15 QG1 ILE 15 -3.052 4.576 -0.285 162 H VAL 16 H VAL 16 -5.649 8.472 -0.434 163 HA VAL 16 HA VAL 16 -8.447 8.189 0.420 164 HB VAL 16 HB VAL 16 -6.532 10.491 0.699 165 1HG1 VAL 16 2HG1 VAL 16 -9.552 10.597 0.536 166 2HG1 VAL 16 3HG1 VAL 16 -8.599 11.833 1.393 167 3HG1 VAL 16 1HG1 VAL 16 -8.354 11.571 -0.350 168 1HG2 VAL 16 1HG2 VAL 16 -7.118 8.643 2.498 169 2HG2 VAL 16 2HG2 VAL 16 -6.935 10.352 2.962 170 3HG2 VAL 16 3HG2 VAL 16 -8.559 9.658 2.745 171 MG1 VAL 16 QG1 VAL 16 -8.835 11.334 0.526 172 MG2 VAL 16 QG2 VAL 16 -7.537 9.551 2.735 173 QG VAL 16 QQG VAL 16 -8.186 10.442 1.631 174 HA PRO 17 HA PRO 17 -8.502 8.823 -3.989 175 1HB PRO 17 1HB PRO 17 -10.687 7.263 -4.497 176 2HB PRO 17 2HB PRO 17 -9.045 6.652 -4.528 177 1HG PRO 17 1HG PRO 17 -11.130 6.262 -2.468 178 2HG PRO 17 2HG PRO 17 -9.663 5.339 -2.735 179 1HD PRO 17 1HD PRO 17 -10.110 7.298 -0.687 180 2HD PRO 17 2HD PRO 17 -8.609 6.460 -1.026 181 QB PRO 17 QB PRO 17 -9.866 6.958 -4.512 182 QG PRO 17 QG PRO 17 -10.396 5.801 -2.601 183 QD PRO 17 QD PRO 17 -9.360 6.879 -0.856 184 H SER 18 H SER 18 -10.603 9.258 -5.523 185 HA SER 18 HA SER 18 -12.664 10.581 -4.216 186 1HB SER 18 1HB SER 18 -10.691 12.187 -3.793 187 2HB SER 18 2HB SER 18 -10.693 12.502 -5.516 188 HG SER 18 HG SER 18 -13.212 12.702 -4.239 189 QB SER 18 QB SER 18 -10.692 12.344 -4.654 190 H ASN 19 H ASN 19 -10.530 10.297 -7.093 191 HA ASN 19 HA ASN 19 -12.840 10.784 -8.776 192 1HB ASN 19 1HB ASN 19 -9.870 10.490 -9.478 193 2HB ASN 19 2HB ASN 19 -11.132 10.860 -10.636 194 1HD2 ASN 19 1HD2 ASN 19 -9.336 12.632 -10.734 195 2HD2 ASN 19 2HD2 ASN 19 -9.685 14.095 -9.876 196 QB ASN 19 QB ASN 19 -10.501 10.675 -10.057 197 QD ASN 19 QD2 ASN 19 -9.510 13.363 -10.305 198 H GLU 20 H GLU 20 -12.968 9.240 -10.784 199 HA GLU 20 HA GLU 20 -12.982 6.595 -9.811 200 1HB GLU 20 1HB GLU 20 -13.804 8.008 -12.321 201 2HB GLU 20 2HB GLU 20 -13.494 6.290 -12.465 202 1HG GLU 20 1HG GLU 20 -15.778 6.336 -11.890 203 2HG GLU 20 2HG GLU 20 -15.013 6.044 -10.341 204 QB GLU 20 QB GLU 20 -13.649 7.149 -12.393 205 QG GLU 20 QG GLU 20 -15.396 6.190 -11.115 206 H GLU 21 H GLU 21 -10.920 8.503 -12.049 207 HA GLU 21 HA GLU 21 -9.509 6.400 -13.122 208 1HB GLU 21 1HB GLU 21 -9.195 8.469 -14.187 209 2HB GLU 21 2HB GLU 21 -8.950 9.332 -12.682 210 1HG GLU 21 1HG GLU 21 -6.712 8.627 -12.472 211 2HG GLU 21 2HG GLU 21 -6.960 7.190 -13.443 212 QB GLU 21 QB GLU 21 -9.072 8.900 -13.435 213 QG GLU 21 QG GLU 21 -6.836 7.909 -12.958 214 H GLN 22 H GLN 22 -9.065 8.238 -10.061 215 HA GLN 22 HA GLN 22 -6.594 7.073 -9.454 216 1HB GLN 22 1HB GLN 22 -8.680 8.629 -7.927 217 2HB GLN 22 2HB GLN 22 -7.402 7.836 -7.027 218 1HG GLN 22 1HG GLN 22 -5.900 9.429 -7.622 219 2HG GLN 22 2HG GLN 22 -6.245 9.194 -9.323 220 1HE2 GLN 22 1HE2 GLN 22 -7.323 10.794 -6.371 221 2HE2 GLN 22 2HE2 GLN 22 -8.117 12.142 -7.110 222 QB GLN 22 QB GLN 22 -8.041 8.233 -7.477 223 QG GLN 22 QG GLN 22 -6.073 9.311 -8.473 224 QE GLN 22 QE2 GLN 22 -7.720 11.468 -6.740 225 H ILE 23 H ILE 23 -9.970 6.073 -9.055 226 HA ILE 23 HA ILE 23 -9.361 4.057 -7.114 227 HB ILE 23 HB ILE 23 -11.756 5.016 -8.595 228 1HG1 ILE 23 1HG1 ILE 23 -11.070 4.467 -5.697 229 2HG1 ILE 23 2HG1 ILE 23 -11.267 6.027 -6.472 230 1HG2 ILE 23 1HG2 ILE 23 -11.843 2.607 -8.985 231 2HG2 ILE 23 2HG2 ILE 23 -11.631 2.306 -7.243 232 3HG2 ILE 23 3HG2 ILE 23 -13.101 3.118 -7.835 233 1HD1 ILE 23 2HD1 ILE 23 -13.688 4.982 -7.085 234 2HD1 ILE 23 3HD1 ILE 23 -13.352 4.057 -5.601 235 3HD1 ILE 23 1HD1 ILE 23 -13.379 5.837 -5.555 236 MG ILE 23 QG2 ILE 23 -12.192 2.677 -8.021 237 MD ILE 23 QD1 ILE 23 -13.473 4.959 -6.080 238 QG ILE 23 QG1 ILE 23 -11.168 5.247 -6.085 239 H LYS 24 H LYS 24 -9.636 4.327 -10.663 240 HA LYS 24 HA LYS 24 -9.602 1.507 -11.067 241 1HB LYS 24 1HB LYS 24 -10.632 2.570 -12.816 242 2HB LYS 24 2HB LYS 24 -9.565 3.960 -12.765 243 1HG LYS 24 1HG LYS 24 -7.812 2.819 -13.913 244 2HG LYS 24 2HG LYS 24 -8.480 1.238 -13.559 245 1HD LYS 24 1HD LYS 24 -10.373 1.637 -15.083 246 2HD LYS 24 2HD LYS 24 -9.863 3.292 -15.346 247 1HE LYS 24 1HE LYS 24 -8.334 2.674 -16.921 248 2HE LYS 24 2HE LYS 24 -7.668 1.420 -15.895 249 1HZ LYS 24 3HZ LYS 24 -10.264 0.816 -16.917 250 2HZ LYS 24 1HZ LYS 24 -9.128 0.979 -18.079 251 3HZ LYS 24 2HZ LYS 24 -8.918 -0.109 -16.878 252 QB LYS 24 QB LYS 24 -10.098 3.265 -12.791 253 QD LYS 24 QD LYS 24 -10.118 2.464 -15.215 254 QG LYS 24 QG LYS 24 -8.146 2.029 -13.736 255 QE LYS 24 QE LYS 24 -8.001 2.047 -16.408 256 QZ LYS 24 QZ LYS 24 -9.437 0.562 -17.291 257 H ASN 25 H ASN 25 -7.257 3.903 -10.220 258 HA ASN 25 HA ASN 25 -5.062 2.820 -11.547 259 1HB ASN 25 1HB ASN 25 -4.852 5.047 -10.642 260 2HB ASN 25 2HB ASN 25 -5.401 4.545 -9.055 261 1HD2 ASN 25 1HD2 ASN 25 -4.053 2.989 -7.875 262 2HD2 ASN 25 2HD2 ASN 25 -2.329 3.092 -8.003 263 QB ASN 25 QB ASN 25 -5.127 4.796 -9.849 264 QD ASN 25 QD2 ASN 25 -3.191 3.040 -7.939 265 H LEU 26 H LEU 26 -6.106 2.660 -8.048 266 HA LEU 26 HA LEU 26 -4.259 0.857 -7.161 267 1HB LEU 26 1HB LEU 26 -6.220 2.214 -6.025 268 2HB LEU 26 2HB LEU 26 -7.072 0.691 -6.177 269 HG LEU 26 HG LEU 26 -5.040 -0.365 -4.990 270 1HD1 LEU 26 1HD1 LEU 26 -3.651 1.751 -5.328 271 2HD1 LEU 26 2HD1 LEU 26 -4.586 2.442 -3.980 272 3HD1 LEU 26 3HD1 LEU 26 -3.598 0.984 -3.723 273 1HD2 LEU 26 3HD2 LEU 26 -6.946 1.503 -3.558 274 2HD2 LEU 26 1HD2 LEU 26 -7.183 -0.224 -3.920 275 3HD2 LEU 26 2HD2 LEU 26 -5.937 0.277 -2.753 276 MD1 LEU 26 QD1 LEU 26 -3.945 1.726 -4.344 277 MD2 LEU 26 QD2 LEU 26 -6.688 0.519 -3.411 278 QB LEU 26 QB LEU 26 -6.646 1.453 -6.101 279 QD LEU 26 QQD LEU 26 -5.317 1.122 -3.877 280 H LEU 27 H LEU 27 -7.620 0.051 -8.299 281 HA LEU 27 HA LEU 27 -7.480 -2.634 -8.198 282 1HB LEU 27 1HB LEU 27 -8.861 -0.682 -9.961 283 2HB LEU 27 2HB LEU 27 -8.862 -2.358 -10.477 284 HG LEU 27 HG LEU 27 -10.002 -1.206 -7.925 285 1HD1 LEU 27 3HD1 LEU 27 -11.082 -1.826 -10.508 286 2HD1 LEU 27 1HD1 LEU 27 -11.819 -2.896 -9.289 287 3HD1 LEU 27 2HD1 LEU 27 -11.890 -1.128 -9.083 288 1HD2 LEU 27 1HD2 LEU 27 -9.182 -4.000 -8.550 289 2HD2 LEU 27 2HD2 LEU 27 -9.238 -3.134 -6.996 290 3HD2 LEU 27 3HD2 LEU 27 -10.739 -3.761 -7.719 291 MD1 LEU 27 QD1 LEU 27 -11.597 -1.950 -9.627 292 MD2 LEU 27 QD2 LEU 27 -9.720 -3.632 -7.755 293 QB LEU 27 QB LEU 27 -8.862 -1.520 -10.219 294 QD LEU 27 QQD LEU 27 -10.658 -2.791 -8.691 295 H GLN 28 H GLN 28 -6.294 -0.565 -10.932 296 HA GLN 28 HA GLN 28 -5.418 -2.623 -12.505 297 1HB GLN 28 1HB GLN 28 -5.523 0.031 -12.821 298 2HB GLN 28 2HB GLN 28 -3.832 -0.061 -12.372 299 1HG GLN 28 1HG GLN 28 -4.371 -2.163 -14.287 300 2HG GLN 28 2HG GLN 28 -5.027 -0.666 -14.919 301 1HE2 GLN 28 1HE2 GLN 28 -2.159 -2.241 -13.634 302 2HE2 GLN 28 2HE2 GLN 28 -0.973 -1.210 -14.361 303 QB GLN 28 QB GLN 28 -4.677 -0.015 -12.597 304 QG GLN 28 QG GLN 28 -4.699 -1.414 -14.603 305 QE GLN 28 QE2 GLN 28 -1.566 -1.726 -13.997 306 H LEU 29 H LEU 29 -3.848 -0.989 -9.721 307 HA LEU 29 HA LEU 29 -1.317 -2.163 -10.098 308 1HB LEU 29 1HB LEU 29 -1.370 -0.234 -8.816 309 2HB LEU 29 2HB LEU 29 -2.731 -0.775 -7.854 310 HG LEU 29 HG LEU 29 -1.137 -2.564 -6.909 311 1HD1 LEU 29 1HD1 LEU 29 0.610 -2.283 -8.638 312 2HD1 LEU 29 2HD1 LEU 29 0.949 -0.656 -8.001 313 3HD1 LEU 29 3HD1 LEU 29 1.231 -2.088 -6.981 314 1HD2 LEU 29 1HD2 LEU 29 -0.891 0.386 -6.304 315 2HD2 LEU 29 2HD2 LEU 29 -1.895 -0.835 -5.488 316 3HD2 LEU 29 3HD2 LEU 29 -0.125 -0.877 -5.311 317 MD1 LEU 29 QD1 LEU 29 0.930 -1.676 -7.874 318 MD2 LEU 29 QD2 LEU 29 -0.970 -0.442 -5.701 319 QB LEU 29 QB LEU 29 -2.051 -0.504 -8.335 320 QD LEU 29 QQD LEU 29 -0.020 -1.059 -6.787 321 H GLU 30 H GLU 30 -3.936 -2.933 -7.693 322 HA GLU 30 HA GLU 30 -2.746 -5.244 -6.809 323 1HB GLU 30 1HB GLU 30 -4.856 -3.844 -5.982 324 2HB GLU 30 2HB GLU 30 -5.754 -5.013 -6.930 325 1HG GLU 30 1HG GLU 30 -3.706 -6.328 -5.282 326 2HG GLU 30 2HG GLU 30 -4.787 -5.361 -4.299 327 QB GLU 30 QB GLU 30 -5.305 -4.428 -6.456 328 QG GLU 30 QG GLU 30 -4.246 -5.844 -4.790 329 H ALA 31 H ALA 31 -4.443 -4.548 -9.794 330 HA ALA 31 HA ALA 31 -5.336 -7.154 -10.375 331 1HB ALA 31 2HB ALA 31 -5.520 -6.252 -12.683 332 2HB ALA 31 3HB ALA 31 -6.206 -5.139 -11.475 333 3HB ALA 31 1HB ALA 31 -4.605 -4.810 -12.179 334 MB ALA 31 QB ALA 31 -5.444 -5.400 -12.113 335 H GLN 32 H GLN 32 -2.286 -5.341 -11.037 336 HA GLN 32 HA GLN 32 -1.106 -7.064 -12.743 337 1HB GLN 32 1HB GLN 32 -0.124 -5.160 -10.651 338 2HB GLN 32 2HB GLN 32 1.052 -6.301 -11.271 339 1HG GLN 32 1HG GLN 32 -0.687 -4.514 -13.036 340 2HG GLN 32 2HG GLN 32 0.952 -4.120 -12.558 341 1HE2 GLN 32 1HE2 GLN 32 2.682 -5.189 -13.422 342 2HE2 GLN 32 2HE2 GLN 32 2.585 -6.253 -14.785 343 QB GLN 32 QB GLN 32 0.464 -5.730 -10.961 344 QG GLN 32 QG GLN 32 0.133 -4.317 -12.797 345 QE GLN 32 QE2 GLN 32 2.633 -5.721 -14.104 346 H GLU 33 H GLU 33 -1.460 -9.282 -12.425 347 HA GLU 33 HA GLU 33 -1.382 -10.560 -10.016 348 1HB GLU 33 1HB GLU 33 -1.063 -11.385 -12.882 349 2HB GLU 33 2HB GLU 33 -0.588 -12.557 -11.669 350 1HG GLU 33 1HG GLU 33 -3.199 -11.186 -11.168 351 2HG GLU 33 2HG GLU 33 -3.162 -12.241 -12.568 352 QB GLU 33 QB GLU 33 -0.825 -11.971 -12.276 353 QG GLU 33 QG GLU 33 -3.180 -11.714 -11.868 354 H HIS 34 H HIS 34 0.368 -9.839 -8.698 355 HA HIS 34 HA HIS 34 2.683 -11.356 -8.878 356 1HB HIS 34 1HB HIS 34 2.796 -8.700 -10.220 357 2HB HIS 34 2HB HIS 34 4.148 -9.114 -9.185 358 HD1 HIS 34 HD1 HIS 34 4.465 -12.127 -9.797 359 HD2 HIS 34 HD2 HIS 34 3.791 -9.197 -12.723 360 HE1 HIS 34 HE1 HIS 34 5.335 -13.095 -11.992 361 HE2 HIS 34 HE2 HIS 34 4.844 -11.272 -13.761 362 QB HIS 34 QB HIS 34 3.472 -8.907 -9.702 363 H LEU 35 H LEU 35 1.595 -8.014 -7.941 364 HA LEU 35 HA LEU 35 2.929 -8.183 -5.435 365 1HB LEU 35 1HB LEU 35 0.739 -6.230 -5.932 366 2HB LEU 35 2HB LEU 35 2.279 -6.017 -5.123 367 HG LEU 35 HG LEU 35 1.728 -6.076 -8.092 368 1HD1 LEU 35 3HD1 LEU 35 1.960 -4.008 -6.163 369 2HD1 LEU 35 2HD1 LEU 35 1.764 -3.866 -7.927 370 3HD1 LEU 35 1HD1 LEU 35 3.394 -3.923 -7.214 371 1HD2 LEU 35 1HD2 LEU 35 4.150 -6.906 -6.702 372 2HD2 LEU 35 2HD2 LEU 35 3.704 -7.047 -8.419 373 3HD2 LEU 35 3HD2 LEU 35 4.436 -5.543 -7.811 374 MD1 LEU 35 QD1 LEU 35 2.373 -3.932 -7.102 375 MD2 LEU 35 QD2 LEU 35 4.096 -6.499 -7.644 376 QB LEU 35 QB LEU 35 1.509 -6.124 -5.528 377 QD LEU 35 QQD LEU 35 3.235 -5.216 -7.373 378 H GLN 36 H GLN 36 -0.451 -8.619 -6.607 379 HA GLN 36 HA GLN 36 -2.249 -9.353 -5.617 380 1HB GLN 36 1HB GLN 36 -0.904 -11.451 -5.766 381 2HB GLN 36 2HB GLN 36 -0.284 -11.168 -4.152 382 1HG GLN 36 1HG GLN 36 -2.946 -10.981 -3.615 383 2HG GLN 36 2HG GLN 36 -3.027 -12.037 -5.010 384 1HE2 GLN 36 1HE2 GLN 36 -2.141 -11.686 -1.709 385 2HE2 GLN 36 2HE2 GLN 36 -1.666 -13.318 -1.378 386 QB GLN 36 QB GLN 36 -0.594 -11.309 -4.959 387 QG GLN 36 QG GLN 36 -2.987 -11.509 -4.313 388 QE GLN 36 QE2 GLN 36 -1.904 -12.502 -1.544 389 H LEU 37 H LEU 37 -2.053 -7.039 -4.534 390 HA LEU 37 HA LEU 37 -1.597 -7.205 -1.680 391 1HB LEU 37 1HB LEU 37 -2.645 -4.758 -3.011 392 2HB LEU 37 2HB LEU 37 -1.510 -4.924 -1.686 393 HG LEU 37 HG LEU 37 -0.240 -6.062 -3.945 394 1HD1 LEU 37 1HD1 LEU 37 -2.185 -4.351 -4.912 395 2HD1 LEU 37 2HD1 LEU 37 -0.726 -3.333 -4.864 396 3HD1 LEU 37 3HD1 LEU 37 -0.711 -4.867 -5.767 397 1HD2 LEU 37 1HD2 LEU 37 0.776 -4.872 -2.003 398 2HD2 LEU 37 2HD2 LEU 37 1.399 -4.350 -3.586 399 3HD2 LEU 37 3HD2 LEU 37 0.225 -3.335 -2.714 400 MD1 LEU 37 QD1 LEU 37 -1.207 -4.184 -5.181 401 MD2 LEU 37 QD2 LEU 37 0.800 -4.186 -2.768 402 QB LEU 37 QB LEU 37 -2.077 -4.841 -2.349 403 QD LEU 37 QQD LEU 37 -0.204 -4.185 -3.974 404 H ASP 38 H ASP 38 -3.239 -6.575 -0.101 405 HA ASP 38 HA ASP 38 -5.888 -7.257 -1.106 406 1HB ASP 38 1HB ASP 38 -4.394 -7.879 1.424 407 2HB ASP 38 2HB ASP 38 -6.114 -7.587 1.593 408 QB ASP 38 QB ASP 38 -5.254 -7.733 1.508 409 H PHE 39 H PHE 39 -7.537 -5.716 -0.751 410 HA PHE 39 HA PHE 39 -6.696 -3.231 0.485 411 1HB PHE 39 1HB PHE 39 -9.164 -4.191 -1.083 412 2HB PHE 39 2HB PHE 39 -8.980 -2.541 -0.523 413 HD1 PHE 39 HD1 PHE 39 -9.152 -3.929 -3.408 414 HD2 PHE 39 HD2 PHE 39 -6.064 -2.143 -1.108 415 HE1 PHE 39 HE1 PHE 39 -7.915 -3.353 -5.515 416 HE2 PHE 39 HE2 PHE 39 -4.828 -1.566 -3.214 417 HZ PHE 39 HZ PHE 39 -5.769 -2.177 -5.393 418 QB PHE 39 QB PHE 39 -9.072 -3.366 -0.803 419 QD PHE 39 QD PHE 39 -7.608 -3.036 -2.258 420 QE PHE 39 QE PHE 39 -6.372 -2.459 -4.364 421 QR PHE 39 QR PHE 39 -6.746 -2.634 -3.728 422 H TRP 40 H TRP 40 -7.334 -2.573 2.491 423 HA TRP 40 HA TRP 40 -8.864 -4.357 4.091 424 1HB TRP 40 1HB TRP 40 -7.547 -1.696 4.498 425 2HB TRP 40 2HB TRP 40 -8.686 -2.294 5.688 426 HD1 TRP 40 HD1 TRP 40 -6.835 -5.195 4.264 427 HE1 TRP 40 HE1 TRP 40 -4.904 -6.068 5.837 428 HE3 TRP 40 HE3 TRP 40 -6.824 -1.165 7.364 429 HZ2 TRP 40 HZ2 TRP 40 -3.618 -5.000 8.149 430 HZ3 TRP 40 HZ3 TRP 40 -5.199 -1.159 9.255 431 HH2 TRP 40 HH2 TRP 40 -3.633 -2.989 9.671 432 QB TRP 40 QB TRP 40 -8.117 -1.995 5.093 433 H LYS 41 H LYS 41 -9.356 -0.879 3.114 434 HA LYS 41 HA LYS 41 -12.226 -1.323 3.443 435 1HB LYS 41 1HB LYS 41 -10.406 1.022 3.702 436 2HB LYS 41 2HB LYS 41 -12.018 1.337 3.092 437 1HG LYS 41 1HG LYS 41 -13.024 0.224 5.058 438 2HG LYS 41 2HG LYS 41 -11.439 -0.233 5.648 439 1HD LYS 41 1HD LYS 41 -11.489 1.714 6.832 440 2HD LYS 41 2HD LYS 41 -11.140 2.510 5.309 441 1HE LYS 41 1HE LYS 41 -13.946 2.044 5.275 442 2HE LYS 41 2HE LYS 41 -13.591 2.583 6.905 443 1HZ LYS 41 1HZ LYS 41 -12.382 4.024 4.697 444 2HZ LYS 41 2HZ LYS 41 -13.967 4.270 4.999 445 3HZ LYS 41 3HZ LYS 41 -12.859 4.578 6.157 446 QB LYS 41 QB LYS 41 -11.212 1.179 3.397 447 QD LYS 41 QD LYS 41 -11.315 2.112 6.070 448 QG LYS 41 QG LYS 41 -12.232 -0.004 5.353 449 QE LYS 41 QE LYS 41 -13.769 2.313 6.090 450 QZ LYS 41 QZ LYS 41 -13.069 4.291 5.284 451 H SER 42 H SER 42 -13.191 -2.063 1.622 452 HA SER 42 HA SER 42 -12.257 -2.139 -0.839 453 1HB SER 42 1HB SER 42 -14.616 -2.141 -1.645 454 2HB SER 42 2HB SER 42 -14.407 -3.118 -0.205 455 HG SER 42 HG SER 42 -15.021 -0.880 0.884 456 QB SER 42 QB SER 42 -14.512 -2.629 -0.925 457 HA PRO 43 HA PRO 43 -11.914 2.226 -1.655 458 1HB PRO 43 1HB PRO 43 -9.908 2.042 -3.502 459 2HB PRO 43 2HB PRO 43 -9.615 2.208 -1.783 460 1HG PRO 43 1HG PRO 43 -9.351 -0.195 -3.485 461 2HG PRO 43 2HG PRO 43 -8.673 0.106 -1.897 462 1HD PRO 43 1HD PRO 43 -10.946 -1.534 -2.512 463 2HD PRO 43 2HD PRO 43 -10.338 -1.140 -0.916 464 QB PRO 43 QB PRO 43 -9.762 2.125 -2.643 465 QG PRO 43 QG PRO 43 -9.012 -0.045 -2.691 466 QD PRO 43 QD PRO 43 -10.642 -1.337 -1.714 467 H THR 44 H THR 44 -13.281 -0.218 -3.240 468 HA THR 44 HA THR 44 -13.474 0.317 -5.846 469 HB THR 44 HB THR 44 -15.442 -0.522 -3.713 470 HG1 THR 44 HG1 THR 44 -14.699 -2.392 -4.639 471 1HG2 THR 44 3HG2 THR 44 -16.164 0.528 -6.409 472 2HG2 THR 44 1HG2 THR 44 -16.733 -1.129 -6.090 473 3HG2 THR 44 2HG2 THR 44 -17.212 0.201 -5.007 474 MG THR 44 QG2 THR 44 -16.703 -0.134 -5.835 475 H THR 45 H THR 45 -15.060 2.263 -3.259 476 HA THR 45 HA THR 45 -15.547 4.301 -5.333 477 HB THR 45 HB THR 45 -17.611 4.839 -4.168 478 HG1 THR 45 HG1 THR 45 -16.744 2.784 -2.268 479 1HG2 THR 45 2HG2 THR 45 -17.562 2.557 -5.466 480 2HG2 THR 45 3HG2 THR 45 -17.480 1.811 -3.852 481 3HG2 THR 45 1HG2 THR 45 -18.882 2.814 -4.299 482 MG THR 45 QG2 THR 45 -17.975 2.394 -4.539 483 HA PRO 46 HA PRO 46 -13.211 6.997 -2.952 484 1HB PRO 46 1HB PRO 46 -14.288 9.425 -3.594 485 2HB PRO 46 2HB PRO 46 -13.165 8.570 -4.632 486 1HG PRO 46 1HG PRO 46 -16.089 8.890 -4.929 487 2HG PRO 46 2HG PRO 46 -14.907 8.424 -6.137 488 1HD PRO 46 1HD PRO 46 -16.737 6.691 -4.766 489 2HD PRO 46 2HD PRO 46 -15.478 6.210 -5.887 490 QB PRO 46 QB PRO 46 -13.727 8.998 -4.113 491 QG PRO 46 QG PRO 46 -15.498 8.657 -5.533 492 QD PRO 46 QD PRO 46 -16.107 6.451 -5.326 493 H GLY 47 H GLY 47 -13.173 8.787 -1.269 494 1HA GLY 47 2HA GLY 47 -15.655 8.898 0.250 495 2HA GLY 47 1HA GLY 47 -14.182 9.805 0.533 496 QA GLY 47 QA GLY 47 -14.919 9.352 0.391 497 H GLU 48 H GLU 48 -13.968 6.320 -0.061 498 HA GLU 48 HA GLU 48 -13.691 5.910 2.807 499 1HB GLU 48 1HB GLU 48 -14.152 3.557 2.391 500 2HB GLU 48 2HB GLU 48 -15.389 4.516 1.603 501 1HG GLU 48 1HG GLU 48 -13.523 4.347 -0.419 502 2HG GLU 48 2HG GLU 48 -13.250 2.819 0.397 503 QB GLU 48 QB GLU 48 -14.771 4.037 1.997 504 QG GLU 48 QG GLU 48 -13.386 3.583 -0.011 505 H THR 49 H THR 49 -11.590 6.093 3.470 506 HA THR 49 HA THR 49 -9.393 5.915 1.757 507 HB THR 49 HB THR 49 -8.128 6.071 3.856 508 HG1 THR 49 HG1 THR 49 -10.715 5.437 5.077 509 1HG2 THR 49 1HG2 THR 49 -10.476 7.720 3.379 510 2HG2 THR 49 2HG2 THR 49 -10.300 7.450 5.130 511 3HG2 THR 49 3HG2 THR 49 -8.963 8.169 4.202 512 MG THR 49 QG2 THR 49 -9.913 7.780 4.237 513 H ALA 50 H ALA 50 -7.745 4.345 1.485 514 HA ALA 50 HA ALA 50 -8.738 1.626 1.998 515 1HB ALA 50 1HB ALA 50 -8.446 1.327 -0.209 516 2HB ALA 50 2HB ALA 50 -7.789 2.974 -0.378 517 3HB ALA 50 3HB ALA 50 -6.704 1.618 0.015 518 MB ALA 50 QB ALA 50 -7.646 1.973 -0.191 519 H HIS 51 H HIS 51 -7.206 0.029 2.718 520 HA HIS 51 HA HIS 51 -4.602 1.051 3.488 521 1HB HIS 51 1HB HIS 51 -6.099 -0.461 5.583 522 2HB HIS 51 2HB HIS 51 -4.799 0.701 5.751 523 HD1 HIS 51 HD1 HIS 51 -8.259 0.411 6.455 524 HD2 HIS 51 HD2 HIS 51 -5.884 3.463 4.832 525 HE1 HIS 51 HE1 HIS 51 -9.574 2.576 6.757 526 HE2 HIS 51 HE2 HIS 51 -8.041 4.424 5.790 527 QB HIS 51 QB HIS 51 -5.449 0.120 5.667 528 H VAL 52 H VAL 52 -3.670 -0.320 1.926 529 HA VAL 52 HA VAL 52 -4.170 -3.181 2.362 530 HB VAL 52 HB VAL 52 -4.727 -2.874 0.182 531 1HG1 VAL 52 1HG1 VAL 52 -2.663 -0.655 0.053 532 2HG1 VAL 52 2HG1 VAL 52 -3.585 -1.239 -1.354 533 3HG1 VAL 52 3HG1 VAL 52 -4.436 -0.499 0.023 534 1HG2 VAL 52 2HG2 VAL 52 -2.491 -4.261 0.528 535 2HG2 VAL 52 3HG2 VAL 52 -3.152 -3.954 -1.096 536 3HG2 VAL 52 1HG2 VAL 52 -1.808 -2.963 -0.481 537 MG1 VAL 52 QG1 VAL 52 -3.561 -0.798 -0.426 538 MG2 VAL 52 QG2 VAL 52 -2.484 -3.726 -0.349 539 QG VAL 52 QQG VAL 52 -3.022 -2.262 -0.388 540 H ARG 53 H ARG 53 -2.384 -4.600 2.606 541 HA ARG 53 HA ARG 53 -0.127 -3.279 3.732 542 1HB ARG 53 1HB ARG 53 -0.620 -6.269 3.297 543 2HB ARG 53 2HB ARG 53 0.599 -5.576 4.348 544 1HG ARG 53 1HG ARG 53 -1.257 -4.448 5.665 545 2HG ARG 53 2HG ARG 53 -2.426 -5.292 4.668 546 1HD ARG 53 1HD ARG 53 -0.257 -6.848 6.121 547 2HD ARG 53 2HD ARG 53 -1.706 -6.353 6.973 548 HE ARG 53 HE ARG 53 -2.755 -7.514 4.717 549 1HH1 ARG 53 2HH1 ARG 53 -3.240 -9.731 4.439 550 2HH1 ARG 53 1HH1 ARG 53 -2.368 -10.927 5.338 551 1HH2 ARG 53 2HH2 ARG 53 -0.340 -8.601 7.035 552 2HH2 ARG 53 1HH2 ARG 53 -0.707 -10.280 6.824 553 QB ARG 53 QB ARG 53 -0.011 -5.922 3.823 554 QG ARG 53 QG ARG 53 -1.842 -4.870 5.167 555 QD ARG 53 QD ARG 53 -0.982 -6.600 6.547 556 QH1 ARG 53 QH1 ARG 53 -2.804 -10.329 4.889 557 QH2 ARG 53 QH2 ARG 53 -0.524 -9.440 6.929 558 H VAL 54 H VAL 54 0.926 -2.268 1.913 559 HA VAL 54 HA VAL 54 1.631 -3.895 -0.353 560 HB VAL 54 HB VAL 54 0.953 -1.467 -0.405 561 1HG1 VAL 54 1HG1 VAL 54 3.628 -1.205 0.959 562 2HG1 VAL 54 2HG1 VAL 54 3.006 0.097 -0.083 563 3HG1 VAL 54 3HG1 VAL 54 2.080 -0.418 1.348 564 1HG2 VAL 54 1HG2 VAL 54 2.087 -2.660 -2.279 565 2HG2 VAL 54 2HG2 VAL 54 2.442 -0.916 -2.228 566 3HG2 VAL 54 3HG2 VAL 54 3.652 -2.088 -1.650 567 MG1 VAL 54 QG1 VAL 54 2.905 -0.509 0.741 568 MG2 VAL 54 QG2 VAL 54 2.727 -1.888 -2.052 569 QG VAL 54 QQG VAL 54 2.816 -1.198 -0.656 570 HA PRO 55 HA PRO 55 5.447 -5.152 1.257 571 1HB PRO 55 1HB PRO 55 6.648 -6.039 -1.033 572 2HB PRO 55 2HB PRO 55 5.494 -6.995 -0.123 573 1HG PRO 55 1HG PRO 55 5.107 -5.561 -2.679 574 2HG PRO 55 2HG PRO 55 4.135 -6.841 -1.981 575 1HD PRO 55 1HD PRO 55 3.507 -4.043 -2.032 576 2HD PRO 55 2HD PRO 55 2.594 -5.309 -1.233 577 QB PRO 55 QB PRO 55 6.071 -6.517 -0.578 578 QG PRO 55 QG PRO 55 4.621 -6.201 -2.330 579 QD PRO 55 QD PRO 55 3.050 -4.676 -1.633 580 H PHE 56 H PHE 56 7.341 -4.281 1.909 581 HA PHE 56 HA PHE 56 7.893 -1.702 1.248 582 1HB PHE 56 1HB PHE 56 8.833 -3.478 3.021 583 2HB PHE 56 2HB PHE 56 10.052 -3.797 1.804 584 HD1 PHE 56 HD1 PHE 56 8.524 -0.916 3.622 585 HD2 PHE 56 HD2 PHE 56 12.012 -2.575 1.865 586 HE1 PHE 56 HE1 PHE 56 9.872 1.027 4.464 587 HE2 PHE 56 HE2 PHE 56 13.360 -0.632 2.707 588 HZ PHE 56 HZ PHE 56 12.274 1.145 3.996 589 QB PHE 56 QB PHE 56 9.443 -3.637 2.413 590 QD PHE 56 QD PHE 56 10.268 -1.745 2.743 591 QE PHE 56 QE PHE 56 11.616 0.197 3.585 592 QR PHE 56 QR PHE 56 11.208 -0.390 3.331 593 H VAL 57 H VAL 57 9.014 -4.712 -0.371 594 HA VAL 57 HA VAL 57 10.906 -3.435 -2.020 595 HB VAL 57 HB VAL 57 11.139 -5.735 -1.659 596 1HG1 VAL 57 2HG1 VAL 57 8.203 -5.873 -2.277 597 2HG1 VAL 57 3HG1 VAL 57 9.223 -7.308 -2.543 598 3HG1 VAL 57 1HG1 VAL 57 9.118 -6.578 -0.922 599 1HG2 VAL 57 1HG2 VAL 57 11.362 -4.816 -4.092 600 2HG2 VAL 57 2HG2 VAL 57 11.417 -6.573 -3.810 601 3HG2 VAL 57 3HG2 VAL 57 9.924 -5.815 -4.413 602 MG1 VAL 57 QG1 VAL 57 8.848 -6.587 -1.914 603 MG2 VAL 57 QG2 VAL 57 10.901 -5.735 -4.105 604 QG VAL 57 QQG VAL 57 9.874 -6.161 -3.010 605 H ASN 58 H ASN 58 7.422 -3.545 -1.994 606 HA ASN 58 HA ASN 58 7.444 -2.546 -4.733 607 1HB ASN 58 1HB ASN 58 6.097 -4.700 -4.152 608 2HB ASN 58 2HB ASN 58 5.022 -3.660 -3.240 609 1HD2 ASN 58 1HD2 ASN 58 6.576 -3.969 -6.420 610 2HD2 ASN 58 2HD2 ASN 58 5.259 -3.370 -7.373 611 QB ASN 58 QB ASN 58 5.559 -4.180 -3.696 612 QD ASN 58 QD2 ASN 58 5.917 -3.670 -6.896 613 H VAL 59 H VAL 59 7.687 -1.395 -1.746 614 HA VAL 59 HA VAL 59 5.361 0.248 -1.506 615 HB VAL 59 HB VAL 59 7.900 -0.225 -0.041 616 1HG1 VAL 59 1HG1 VAL 59 6.285 2.329 0.249 617 2HG1 VAL 59 2HG1 VAL 59 7.493 1.751 1.422 618 3HG1 VAL 59 3HG1 VAL 59 7.994 2.187 -0.230 619 1HG2 VAL 59 2HG2 VAL 59 5.746 -1.393 0.462 620 2HG2 VAL 59 3HG2 VAL 59 6.423 -0.501 1.844 621 3HG2 VAL 59 1HG2 VAL 59 5.054 0.178 0.931 622 MG1 VAL 59 QG1 VAL 59 7.257 2.089 0.480 623 MG2 VAL 59 QG2 VAL 59 5.741 -0.572 1.079 624 QG VAL 59 QQG VAL 59 6.499 0.759 0.780 625 H GLN 60 H GLN 60 8.631 0.499 -2.908 626 HA GLN 60 HA GLN 60 8.520 3.297 -3.187 627 1HB GLN 60 1HB GLN 60 10.552 1.577 -3.243 628 2HB GLN 60 2HB GLN 60 10.222 1.545 -4.964 629 1HG GLN 60 1HG GLN 60 11.866 3.277 -4.607 630 2HG GLN 60 2HG GLN 60 10.356 4.088 -4.972 631 1HE2 GLN 60 1HE2 GLN 60 12.071 5.632 -3.826 632 2HE2 GLN 60 2HE2 GLN 60 11.767 5.915 -2.145 633 QB GLN 60 QB GLN 60 10.387 1.561 -4.103 634 QG GLN 60 QG GLN 60 11.111 3.682 -4.789 635 QE GLN 60 QE2 GLN 60 11.919 5.773 -2.986 636 H ALA 61 H ALA 61 8.393 0.632 -5.671 637 HA ALA 61 HA ALA 61 7.698 2.148 -7.822 638 1HB ALA 61 1HB ALA 61 7.915 0.052 -8.615 639 2HB ALA 61 3HB ALA 61 6.246 -0.248 -8.076 640 3HB ALA 61 2HB ALA 61 7.612 -0.650 -7.008 641 MB ALA 61 QB ALA 61 7.257 -0.282 -7.900 642 H VAL 62 H VAL 62 5.714 1.151 -5.041 643 HA VAL 62 HA VAL 62 3.252 1.889 -6.303 644 HB VAL 62 HB VAL 62 4.149 0.966 -3.601 645 1HG1 VAL 62 2HG1 VAL 62 1.750 2.617 -4.168 646 2HG1 VAL 62 3HG1 VAL 62 1.471 1.142 -3.211 647 3HG1 VAL 62 1HG1 VAL 62 2.639 2.361 -2.647 648 1HG2 VAL 62 3HG2 VAL 62 3.341 -0.387 -5.794 649 2HG2 VAL 62 1HG2 VAL 62 3.094 -0.974 -4.132 650 3HG2 VAL 62 2HG2 VAL 62 1.771 -0.150 -4.991 651 MG1 VAL 62 QG1 VAL 62 1.953 2.040 -3.342 652 MG2 VAL 62 QG2 VAL 62 2.735 -0.504 -4.972 653 QG VAL 62 QQG VAL 62 2.344 0.768 -4.157 654 H LYS 63 H LYS 63 5.561 3.333 -3.933 655 HA LYS 63 HA LYS 63 4.037 5.580 -3.337 656 1HB LYS 63 1HB LYS 63 6.915 4.804 -3.129 657 2HB LYS 63 2HB LYS 63 6.522 6.504 -2.968 658 1HG LYS 63 1HG LYS 63 4.561 5.155 -1.420 659 2HG LYS 63 2HG LYS 63 6.060 4.316 -1.077 660 1HD LYS 63 1HD LYS 63 7.166 6.421 -0.451 661 2HD LYS 63 2HD LYS 63 5.771 7.353 -0.957 662 1HE LYS 63 1HE LYS 63 4.613 6.913 0.974 663 2HE LYS 63 2HE LYS 63 5.099 5.230 1.001 664 1HZ LYS 63 1HZ LYS 63 7.341 6.109 1.679 665 2HZ LYS 63 2HZ LYS 63 6.610 7.542 1.964 666 3HZ LYS 63 3HZ LYS 63 6.152 6.214 2.795 667 QB LYS 63 QB LYS 63 6.718 5.654 -3.049 668 QD LYS 63 QD LYS 63 6.468 6.887 -0.704 669 QG LYS 63 QG LYS 63 5.311 4.735 -1.248 670 QE LYS 63 QE LYS 63 4.856 6.071 0.987 671 QZ LYS 63 QZ LYS 63 6.701 6.622 2.146 672 H VAL 64 H VAL 64 6.076 4.745 -6.130 673 HA VAL 64 HA VAL 64 6.126 7.429 -7.120 674 HB VAL 64 HB VAL 64 6.949 4.723 -8.138 675 1HG1 VAL 64 3HG1 VAL 64 6.536 7.235 -9.706 676 2HG1 VAL 64 1HG1 VAL 64 7.986 6.262 -10.052 677 3HG1 VAL 64 2HG1 VAL 64 6.370 5.533 -10.201 678 1HG2 VAL 64 2HG2 VAL 64 8.218 6.948 -6.775 679 2HG2 VAL 64 3HG2 VAL 64 8.832 5.307 -7.091 680 3HG2 VAL 64 1HG2 VAL 64 9.041 6.586 -8.311 681 MG1 VAL 64 QG1 VAL 64 6.964 6.343 -9.986 682 MG2 VAL 64 QG2 VAL 64 8.697 6.280 -7.392 683 QG VAL 64 QQG VAL 64 7.830 6.312 -8.689 684 H PHE 65 H PHE 65 4.114 4.500 -7.499 685 HA PHE 65 HA PHE 65 2.749 5.326 -9.792 686 1HB PHE 65 1HB PHE 65 2.881 3.039 -8.505 687 2HB PHE 65 2HB PHE 65 1.692 3.706 -7.406 688 HD1 PHE 65 HD1 PHE 65 1.833 4.127 -11.095 689 HD2 PHE 65 HD2 PHE 65 -0.171 2.347 -7.805 690 HE1 PHE 65 HE1 PHE 65 -0.006 3.367 -12.626 691 HE2 PHE 65 HE2 PHE 65 -2.010 1.588 -9.336 692 HZ PHE 65 HZ PHE 65 -1.905 2.107 -11.727 693 QB PHE 65 QB PHE 65 2.286 3.373 -7.956 694 QD PHE 65 QD PHE 65 0.831 3.237 -9.450 695 QE PHE 65 QE PHE 65 -1.008 2.477 -10.981 696 QR PHE 65 QR PHE 65 -0.452 2.707 -10.518 697 H LEU 66 H LEU 66 1.774 5.489 -6.288 698 HA LEU 66 HA LEU 66 -0.619 6.726 -6.576 699 1HB LEU 66 1HB LEU 66 1.519 6.950 -4.473 700 2HB LEU 66 2HB LEU 66 0.003 7.818 -4.328 701 HG LEU 66 HG LEU 66 -0.447 5.008 -4.944 702 1HD1 LEU 66 3HD1 LEU 66 1.806 5.045 -3.630 703 2HD1 LEU 66 1HD1 LEU 66 0.770 5.409 -2.230 704 3HD1 LEU 66 2HD1 LEU 66 0.518 3.910 -3.158 705 1HD2 LEU 66 2HD2 LEU 66 -1.344 7.003 -2.883 706 2HD2 LEU 66 3HD2 LEU 66 -2.284 6.168 -4.142 707 3HD2 LEU 66 1HD2 LEU 66 -1.733 5.275 -2.705 708 MD1 LEU 66 QD1 LEU 66 1.032 4.788 -3.006 709 MD2 LEU 66 QD2 LEU 66 -1.787 6.149 -3.243 710 QB LEU 66 QB LEU 66 0.761 7.384 -4.400 711 QD LEU 66 QQD LEU 66 -0.378 5.468 -3.125 712 H GLU 67 H GLU 67 2.591 8.396 -6.224 713 HA GLU 67 HA GLU 67 1.596 10.931 -6.539 714 1HB GLU 67 1HB GLU 67 4.267 9.614 -6.844 715 2HB GLU 67 2HB GLU 67 4.100 11.195 -7.578 716 1HG GLU 67 1HG GLU 67 2.903 11.156 -4.899 717 2HG GLU 67 2HG GLU 67 4.574 10.632 -4.843 718 QB GLU 67 QB GLU 67 4.183 10.405 -7.211 719 QG GLU 67 QG GLU 67 3.738 10.894 -4.871 720 H SER 68 H SER 68 2.815 8.582 -9.007 721 HA SER 68 HA SER 68 2.725 10.230 -11.173 722 1HB SER 68 1HB SER 68 2.980 8.296 -12.442 723 2HB SER 68 2HB SER 68 3.466 7.709 -10.865 724 HG SER 68 HG SER 68 1.939 6.279 -11.930 725 QB SER 68 QB SER 68 3.223 8.003 -11.654 726 H GLN 69 H GLN 69 0.102 8.246 -9.667 727 HA GLN 69 HA GLN 69 -1.774 9.067 -11.637 728 1HB GLN 69 1HB GLN 69 -3.408 7.827 -10.222 729 2HB GLN 69 2HB GLN 69 -1.987 6.867 -10.586 730 1HG GLN 69 1HG GLN 69 -1.036 7.295 -8.377 731 2HG GLN 69 2HG GLN 69 -2.270 8.486 -8.016 732 1HE2 GLN 69 1HE2 GLN 69 -4.587 7.463 -8.665 733 2HE2 GLN 69 2HE2 GLN 69 -4.943 5.982 -7.840 734 QB GLN 69 QB GLN 69 -2.698 7.347 -10.404 735 QG GLN 69 QG GLN 69 -1.653 7.891 -8.196 736 QE GLN 69 QE2 GLN 69 -4.765 6.722 -8.253 737 H GLY 70 H GLY 70 -0.251 10.857 -9.396 738 1HA GLY 70 2HA GLY 70 -2.017 12.982 -9.393 739 2HA GLY 70 1HA GLY 70 -0.703 12.741 -8.258 740 QA GLY 70 QA GLY 70 -1.360 12.862 -8.826 741 H ILE 71 H ILE 71 -1.436 10.497 -6.799 742 HA ILE 71 HA ILE 71 -4.079 11.217 -5.742 743 HB ILE 71 HB ILE 71 -3.692 8.912 -6.709 744 1HG1 ILE 71 1HG1 ILE 71 -4.480 8.619 -3.842 745 2HG1 ILE 71 2HG1 ILE 71 -5.377 9.765 -4.818 746 1HG2 ILE 71 2HG2 ILE 71 -1.368 8.850 -5.448 747 2HG2 ILE 71 3HG2 ILE 71 -2.362 8.162 -4.141 748 3HG2 ILE 71 1HG2 ILE 71 -2.316 7.370 -5.735 749 1HD1 ILE 71 2HD1 ILE 71 -5.462 7.782 -6.581 750 2HD1 ILE 71 3HD1 ILE 71 -5.128 6.774 -5.153 751 3HD1 ILE 71 1HD1 ILE 71 -6.584 7.796 -5.199 752 MG ILE 71 QG2 ILE 71 -2.015 8.128 -5.108 753 MD ILE 71 QD1 ILE 71 -5.725 7.451 -5.644 754 QG ILE 71 QG1 ILE 71 -4.928 9.192 -4.330 755 H ALA 72 H ALA 72 -4.116 10.430 -3.229 756 HA ALA 72 HA ALA 72 -1.672 11.491 -1.999 757 1HB ALA 72 3HB ALA 72 -3.624 13.160 -2.194 758 2HB ALA 72 1HB ALA 72 -4.470 12.127 -1.017 759 3HB ALA 72 2HB ALA 72 -2.934 12.910 -0.573 760 MB ALA 72 QB ALA 72 -3.676 12.732 -1.261 761 H TYR 73 H TYR 73 -0.826 10.053 -0.581 762 HA TYR 73 HA TYR 73 -2.707 8.200 0.713 763 1HB TYR 73 1HB TYR 73 -0.523 6.675 0.516 764 2HB TYR 73 2HB TYR 73 -1.537 6.858 -0.900 765 HD1 TYR 73 HD1 TYR 73 1.766 7.037 0.304 766 HD2 TYR 73 HD2 TYR 73 -0.892 8.908 -2.479 767 HE1 TYR 73 HE1 TYR 73 3.754 7.916 -1.014 768 HE2 TYR 73 HE2 TYR 73 1.106 9.780 -3.788 769 HH TYR 73 HH TYR 73 4.031 8.593 -3.614 770 QB TYR 73 QB TYR 73 -1.030 6.767 -0.192 771 QD TYR 73 QD TYR 73 0.437 7.972 -1.087 772 QE TYR 73 QE TYR 73 2.430 8.848 -2.401 773 QR TYR 73 QR TYR 73 1.433 8.410 -1.744 774 H SER 74 H SER 74 -0.946 6.877 2.389 775 HA SER 74 HA SER 74 0.758 8.739 3.673 776 1HB SER 74 1HB SER 74 -1.613 9.375 4.448 777 2HB SER 74 2HB SER 74 -1.670 7.825 5.264 778 HG SER 74 HG SER 74 -0.010 8.439 6.648 779 QB SER 74 QB SER 74 -1.642 8.600 4.856 780 H ILE 75 H ILE 75 1.816 7.685 5.651 781 HA ILE 75 HA ILE 75 1.936 4.803 5.178 782 HB ILE 75 HB ILE 75 3.856 6.709 6.519 783 1HG1 ILE 75 1HG1 ILE 75 5.291 5.902 4.518 784 2HG1 ILE 75 2HG1 ILE 75 3.772 5.407 3.800 785 1HG2 ILE 75 1HG2 ILE 75 3.600 4.113 7.212 786 2HG2 ILE 75 2HG2 ILE 75 4.715 3.959 5.834 787 3HG2 ILE 75 3HG2 ILE 75 5.145 4.995 7.215 788 1HD1 ILE 75 3HD1 ILE 75 3.675 8.133 4.951 789 2HD1 ILE 75 1HD1 ILE 75 4.856 7.952 3.632 790 3HD1 ILE 75 2HD1 ILE 75 3.144 7.555 3.354 791 MG ILE 75 QG2 ILE 75 4.487 4.356 6.754 792 MD ILE 75 QD1 ILE 75 3.892 7.880 3.979 793 QG ILE 75 QG1 ILE 75 4.532 5.655 4.159 794 H MET 76 H MET 76 0.595 3.633 6.444 795 HA MET 76 HA MET 76 -0.375 4.694 8.867 796 1HB MET 76 1HB MET 76 -1.583 3.072 7.305 797 2HB MET 76 2HB MET 76 -0.457 1.819 7.792 798 1HG MET 76 1HG MET 76 -1.830 1.348 9.539 799 2HG MET 76 2HG MET 76 -1.414 2.903 10.232 800 1HE MET 76 2HE MET 76 -2.849 4.067 11.091 801 2HE MET 76 3HE MET 76 -4.351 4.752 10.423 802 3HE MET 76 1HE MET 76 -4.385 3.185 11.265 803 QB MET 76 QB MET 76 -1.020 2.445 7.549 804 QG MET 76 QG MET 76 -1.622 2.125 9.886 805 ME MET 76 QE MET 76 -3.862 4.001 10.926 806 H ILE 77 H ILE 77 1.410 1.574 8.278 807 HA ILE 77 HA ILE 77 2.930 2.141 10.719 808 HB ILE 77 HB ILE 77 1.085 0.635 11.264 809 1HG1 ILE 77 1HG1 ILE 77 2.416 -1.115 12.339 810 2HG1 ILE 77 2HG1 ILE 77 3.779 -0.760 11.296 811 1HG2 ILE 77 2HG2 ILE 77 1.708 -0.538 8.745 812 2HG2 ILE 77 3HG2 ILE 77 1.945 -1.775 10.003 813 3HG2 ILE 77 1HG2 ILE 77 0.382 -0.934 9.865 814 1HD1 ILE 77 3HD1 ILE 77 2.509 1.364 13.073 815 2HD1 ILE 77 1HD1 ILE 77 3.834 0.313 13.629 816 3HD1 ILE 77 2HD1 ILE 77 4.092 1.422 12.261 817 MG ILE 77 QG2 ILE 77 1.345 -1.082 9.538 818 MD ILE 77 QD1 ILE 77 3.478 1.033 12.988 819 QG ILE 77 QG1 ILE 77 3.097 -0.937 11.818 820 H GLU 78 H GLU 78 5.109 1.635 10.612 821 HA GLU 78 HA GLU 78 5.990 0.892 7.964 822 1HB GLU 78 1HB GLU 78 8.155 1.772 8.625 823 2HB GLU 78 2HB GLU 78 6.925 2.924 9.106 824 1HG GLU 78 1HG GLU 78 7.390 2.671 11.327 825 2HG GLU 78 2HG GLU 78 7.435 0.923 11.209 826 QB GLU 78 QB GLU 78 7.540 2.348 8.866 827 QG GLU 78 QG GLU 78 7.412 1.797 11.268 828 H ASP 79 H ASP 79 8.664 0.092 9.445 829 HA ASP 79 HA ASP 79 7.888 -2.347 10.697 830 1HB ASP 79 1HB ASP 79 8.003 -2.590 8.031 831 2HB ASP 79 2HB ASP 79 9.731 -2.643 8.317 832 QB ASP 79 QB ASP 79 8.867 -2.617 8.174 833 H VAL 80 H VAL 80 9.294 -2.209 12.458 834 HA VAL 80 HA VAL 80 11.978 -1.148 11.950 835 HB VAL 80 HB VAL 80 10.340 -0.114 13.631 836 1HG1 VAL 80 1HG1 VAL 80 9.792 -2.464 14.573 837 2HG1 VAL 80 2HG1 VAL 80 11.313 -2.289 15.482 838 3HG1 VAL 80 3HG1 VAL 80 9.996 -1.115 15.717 839 1HG2 VAL 80 2HG2 VAL 80 13.201 -0.873 14.215 840 2HG2 VAL 80 3HG2 VAL 80 12.535 0.691 13.690 841 3HG2 VAL 80 1HG2 VAL 80 12.264 0.123 15.355 842 MG1 VAL 80 QG1 VAL 80 10.367 -1.956 15.258 843 MG2 VAL 80 QG2 VAL 80 12.667 -0.020 14.420 844 QG VAL 80 QQG VAL 80 11.517 -0.988 14.839 845 H GLN 81 H GLN 81 13.604 -2.594 11.776 846 HA GLN 81 HA GLN 81 13.345 -5.242 11.886 847 1HB GLN 81 1HB GLN 81 15.355 -3.899 11.116 848 2HB GLN 81 2HB GLN 81 15.846 -3.753 12.792 849 1HG GLN 81 1HG GLN 81 15.349 -6.508 12.485 850 2HG GLN 81 2HG GLN 81 16.098 -6.051 10.967 851 1HE2 GLN 81 1HE2 GLN 81 16.406 -5.597 14.478 852 2HE2 GLN 81 2HE2 GLN 81 18.136 -5.621 14.556 853 QB GLN 81 QB GLN 81 15.601 -3.826 11.954 854 QG GLN 81 QG GLN 81 15.723 -6.280 11.726 855 QE GLN 81 QE2 GLN 81 17.271 -5.609 14.517 No H/Q in entry = 855 Start of MODEL 2 1 H MET 1 H MET 1 26.212 -21.988 16.548 2 HA MET 1 HA MET 1 24.991 -21.024 19.012 3 1HB MET 1 1HB MET 1 26.332 -19.470 16.753 4 2HB MET 1 2HB MET 1 25.095 -18.702 17.728 5 1HG MET 1 1HG MET 1 26.577 -19.660 19.758 6 2HG MET 1 2HG MET 1 27.845 -19.643 18.549 7 1HE MET 1 2HE MET 1 29.410 -17.878 18.920 8 2HE MET 1 3HE MET 1 28.731 -17.456 17.330 9 3HE MET 1 1HE MET 1 29.032 -16.182 18.535 10 QB MET 1 QB MET 1 25.714 -19.086 17.241 11 QG MET 1 QG MET 1 27.211 -19.652 19.154 12 ME MET 1 QE MET 1 29.058 -17.172 18.262 13 H ARG 2 H ARG 2 24.685 -19.794 15.638 14 HA ARG 2 HA ARG 2 22.496 -21.298 14.939 15 1HB ARG 2 1HB ARG 2 21.564 -19.840 16.930 16 2HB ARG 2 2HB ARG 2 21.597 -18.515 15.782 17 1HG ARG 2 1HG ARG 2 19.562 -19.220 15.064 18 2HG ARG 2 2HG ARG 2 20.380 -20.585 14.329 19 1HD ARG 2 1HD ARG 2 20.191 -21.746 16.650 20 2HD ARG 2 2HD ARG 2 19.073 -20.466 17.080 21 HE ARG 2 HE ARG 2 18.123 -21.403 14.629 22 1HH1 ARG 2 2HH1 ARG 2 16.529 -23.025 14.412 23 2HH1 ARG 2 1HH1 ARG 2 16.293 -24.182 15.678 24 1HH2 ARG 2 2HH2 ARG 2 18.805 -22.856 17.761 25 2HH2 ARG 2 1HH2 ARG 2 17.597 -24.086 17.596 26 QB ARG 2 QB ARG 2 21.580 -19.178 16.356 27 QG ARG 2 QG ARG 2 19.971 -19.902 14.696 28 QD ARG 2 QD ARG 2 19.632 -21.106 16.865 29 QH1 ARG 2 QH1 ARG 2 16.411 -23.604 15.045 30 QH2 ARG 2 QH2 ARG 2 18.201 -23.471 17.678 31 H SER 3 H SER 3 22.203 -20.990 12.719 32 HA SER 3 HA SER 3 23.286 -18.496 11.662 33 1HB SER 3 1HB SER 3 24.155 -19.705 9.745 34 2HB SER 3 2HB SER 3 24.741 -20.490 11.198 35 HG SER 3 HG SER 3 23.890 -21.960 9.508 36 QB SER 3 QB SER 3 24.448 -20.097 10.471 37 H LEU 4 H LEU 4 21.506 -17.299 11.050 38 HA LEU 4 HA LEU 4 19.650 -18.575 9.216 39 1HB LEU 4 1HB LEU 4 18.975 -17.614 11.944 40 2HB LEU 4 2HB LEU 4 17.860 -17.199 10.657 41 HG LEU 4 HG LEU 4 18.734 -20.050 10.865 42 1HD1 LEU 4 1HD1 LEU 4 17.887 -18.787 13.168 43 2HD1 LEU 4 2HD1 LEU 4 16.385 -19.488 12.517 44 3HD1 LEU 4 3HD1 LEU 4 17.793 -20.533 12.830 45 1HD2 LEU 4 2HD2 LEU 4 17.098 -18.879 9.153 46 2HD2 LEU 4 3HD2 LEU 4 16.785 -20.521 9.764 47 3HD2 LEU 4 1HD2 LEU 4 15.918 -19.131 10.460 48 MD1 LEU 4 QD1 LEU 4 17.355 -19.603 12.838 49 MD2 LEU 4 QD2 LEU 4 16.600 -19.511 9.792 50 QB LEU 4 QB LEU 4 18.418 -17.407 11.301 51 QD LEU 4 QQD LEU 4 16.978 -19.557 11.315 52 H GLU 5 H GLU 5 18.079 -16.742 8.353 53 HA GLU 5 HA GLU 5 19.793 -14.416 7.956 54 1HB GLU 5 1HB GLU 5 19.184 -16.029 5.981 55 2HB GLU 5 2HB GLU 5 17.603 -15.277 6.042 56 1HG GLU 5 1HG GLU 5 18.355 -13.352 5.075 57 2HG GLU 5 2HG GLU 5 19.759 -13.273 6.121 58 QB GLU 5 QB GLU 5 18.394 -15.653 6.011 59 QG GLU 5 QG GLU 5 19.057 -13.312 5.598 60 H THR 6 H THR 6 18.251 -12.462 7.063 61 HA THR 6 HA THR 6 15.902 -12.362 8.834 62 HB THR 6 HB THR 6 16.676 -9.856 9.080 63 HG1 THR 6 HG1 THR 6 18.375 -9.954 7.506 64 1HG2 THR 6 2HG2 THR 6 17.535 -12.282 10.495 65 2HG2 THR 6 3HG2 THR 6 18.813 -11.042 10.519 66 3HG2 THR 6 1HG2 THR 6 17.194 -10.665 11.157 67 MG THR 6 QG2 THR 6 17.847 -11.329 10.723 68 H PHE 7 H PHE 7 14.937 -9.871 8.142 69 HA PHE 7 HA PHE 7 14.908 -9.537 5.327 70 1HB PHE 7 1HB PHE 7 12.773 -11.099 6.830 71 2HB PHE 7 2HB PHE 7 12.244 -10.063 5.520 72 HD1 PHE 7 HD1 PHE 7 12.652 -13.290 6.120 73 HD2 PHE 7 HD2 PHE 7 14.261 -10.384 3.479 74 HE1 PHE 7 HE1 PHE 7 13.203 -15.097 4.468 75 HE2 PHE 7 HE2 PHE 7 14.812 -12.191 1.827 76 HZ PHE 7 HZ PHE 7 14.276 -14.527 2.341 77 QB PHE 7 QB PHE 7 12.509 -10.581 6.175 78 QD PHE 7 QD PHE 7 13.456 -11.837 4.800 79 QE PHE 7 QE PHE 7 14.007 -13.644 3.147 80 QR PHE 7 QR PHE 7 13.841 -13.098 3.647 81 H VAL 8 H VAL 8 12.619 -8.152 4.875 82 HA VAL 8 HA VAL 8 12.840 -5.998 6.839 83 HB VAL 8 HB VAL 8 12.167 -6.200 3.933 84 1HG1 VAL 8 1HG1 VAL 8 11.023 -4.211 5.866 85 2HG1 VAL 8 2HG1 VAL 8 11.500 -3.662 4.242 86 3HG1 VAL 8 3HG1 VAL 8 10.291 -4.955 4.424 87 1HG2 VAL 8 2HG2 VAL 8 14.128 -4.786 5.676 88 2HG2 VAL 8 3HG2 VAL 8 14.342 -5.534 4.075 89 3HG2 VAL 8 1HG2 VAL 8 13.580 -3.931 4.213 90 MG1 VAL 8 QG1 VAL 8 10.938 -4.276 4.844 91 MG2 VAL 8 QG2 VAL 8 14.016 -4.750 4.655 92 QG VAL 8 QQG VAL 8 12.477 -4.513 4.749 93 H GLY 9 H GLY 9 10.131 -6.915 4.633 94 1HA GLY 9 2HA GLY 9 8.379 -6.968 7.016 95 2HA GLY 9 1HA GLY 9 8.261 -8.157 5.734 96 QA GLY 9 QA GLY 9 8.320 -7.563 6.375 97 H ASP 10 H ASP 10 6.108 -7.581 5.145 98 HA ASP 10 HA ASP 10 5.897 -5.730 3.149 99 1HB ASP 10 1HB ASP 10 3.315 -5.903 3.909 100 2HB ASP 10 2HB ASP 10 4.131 -7.212 3.078 101 QB ASP 10 QB ASP 10 3.723 -6.557 3.494 102 H GLN 11 H GLN 11 3.737 -4.043 3.503 103 HA GLN 11 HA GLN 11 3.777 -2.730 5.992 104 1HB GLN 11 1HB GLN 11 5.972 -1.964 4.921 105 2HB GLN 11 2HB GLN 11 5.015 -1.168 3.688 106 1HG GLN 11 1HG GLN 11 3.750 -0.148 5.843 107 2HG GLN 11 2HG GLN 11 5.286 -0.494 6.612 108 1HE2 GLN 11 1HE2 GLN 11 3.545 1.760 4.973 109 2HE2 GLN 11 2HE2 GLN 11 4.803 2.781 4.362 110 QB GLN 11 QB GLN 11 5.494 -1.566 4.304 111 QG GLN 11 QG GLN 11 4.518 -0.321 6.228 112 QE GLN 11 QE2 GLN 11 4.174 2.270 4.668 113 H VAL 12 H VAL 12 1.952 -1.378 6.203 114 HA VAL 12 HA VAL 12 0.196 -1.412 3.869 115 HB VAL 12 HB VAL 12 -0.702 -0.523 6.564 116 1HG1 VAL 12 2HG1 VAL 12 -1.883 -2.214 4.339 117 2HG1 VAL 12 3HG1 VAL 12 -2.691 -1.910 5.896 118 3HG1 VAL 12 1HG1 VAL 12 -2.330 -0.553 4.801 119 1HG2 VAL 12 3HG2 VAL 12 0.061 -3.382 5.898 120 2HG2 VAL 12 1HG2 VAL 12 0.645 -2.378 7.247 121 3HG2 VAL 12 2HG2 VAL 12 -1.045 -2.937 7.220 122 MG1 VAL 12 QG1 VAL 12 -2.301 -1.559 5.012 123 MG2 VAL 12 QG2 VAL 12 -0.113 -2.899 6.789 124 QG VAL 12 QQG VAL 12 -1.207 -2.229 5.900 125 H LEU 13 H LEU 13 -1.270 0.615 3.679 126 HA LEU 13 HA LEU 13 -0.078 3.052 4.605 127 1HB LEU 13 1HB LEU 13 0.781 3.901 2.682 128 2HB LEU 13 2HB LEU 13 1.236 2.215 2.532 129 HG LEU 13 HG LEU 13 -1.239 2.313 1.274 130 1HD1 LEU 13 2HD1 LEU 13 0.316 4.827 0.608 131 2HD1 LEU 13 3HD1 LEU 13 -1.031 4.172 -0.353 132 3HD1 LEU 13 1HD1 LEU 13 -1.315 4.724 1.315 133 1HD2 LEU 13 3HD2 LEU 13 1.603 2.069 0.477 134 2HD2 LEU 13 1HD2 LEU 13 0.217 0.999 0.160 135 3HD2 LEU 13 2HD2 LEU 13 0.453 2.464 -0.823 136 MD1 LEU 13 QD1 LEU 13 -0.677 4.574 0.523 137 MD2 LEU 13 QD2 LEU 13 0.758 1.844 -0.062 138 QB LEU 13 QB LEU 13 1.009 3.058 2.607 139 QD LEU 13 QQD LEU 13 0.041 3.209 0.231 140 H GLU 14 H GLU 14 -1.534 4.817 4.452 141 HA GLU 14 HA GLU 14 -4.218 3.923 3.823 142 1HB GLU 14 1HB GLU 14 -4.741 6.212 5.036 143 2HB GLU 14 2HB GLU 14 -4.279 4.807 5.977 144 1HG GLU 14 1HG GLU 14 -2.131 5.629 6.429 145 2HG GLU 14 2HG GLU 14 -2.072 6.594 4.968 146 QB GLU 14 QB GLU 14 -4.510 5.509 5.506 147 QG GLU 14 QG GLU 14 -2.101 6.112 5.698 148 H ILE 15 H ILE 15 -5.232 4.596 1.979 149 HA ILE 15 HA ILE 15 -4.046 6.911 0.614 150 HB ILE 15 HB ILE 15 -5.511 4.538 -0.547 151 1HG1 ILE 15 1HG1 ILE 15 -2.622 5.160 -1.063 152 2HG1 ILE 15 2HG1 ILE 15 -3.062 4.344 0.425 153 1HG2 ILE 15 2HG2 ILE 15 -4.750 7.165 -1.638 154 2HG2 ILE 15 3HG2 ILE 15 -4.239 5.773 -2.623 155 3HG2 ILE 15 1HG2 ILE 15 -5.956 5.983 -2.203 156 1HD1 ILE 15 2HD1 ILE 15 -4.393 2.678 -1.009 157 2HD1 ILE 15 3HD1 ILE 15 -3.608 3.418 -2.424 158 3HD1 ILE 15 1HD1 ILE 15 -2.622 2.611 -1.181 159 MG ILE 15 QG2 ILE 15 -4.981 6.307 -2.154 160 MD ILE 15 QD1 ILE 15 -3.541 2.902 -1.538 161 QG ILE 15 QG1 ILE 15 -2.842 4.752 -0.319 162 H VAL 16 H VAL 16 -5.456 8.491 -0.297 163 HA VAL 16 HA VAL 16 -8.236 8.261 0.618 164 HB VAL 16 HB VAL 16 -6.246 10.473 1.003 165 1HG1 VAL 16 2HG1 VAL 16 -9.225 10.752 0.623 166 2HG1 VAL 16 3HG1 VAL 16 -8.331 11.864 1.688 167 3HG1 VAL 16 1HG1 VAL 16 -7.904 11.746 -0.036 168 1HG2 VAL 16 2HG2 VAL 16 -7.108 8.590 2.710 169 2HG2 VAL 16 3HG2 VAL 16 -6.681 10.238 3.230 170 3HG2 VAL 16 1HG2 VAL 16 -8.387 9.801 2.967 171 MG1 VAL 16 QG1 VAL 16 -8.487 11.454 0.759 172 MG2 VAL 16 QG2 VAL 16 -7.392 9.543 2.969 173 QG VAL 16 QQG VAL 16 -7.939 10.499 1.864 174 HA PRO 17 HA PRO 17 -8.339 9.039 -3.760 175 1HB PRO 17 1HB PRO 17 -10.605 7.601 -4.274 176 2HB PRO 17 2HB PRO 17 -8.995 6.912 -4.347 177 1HG PRO 17 1HG PRO 17 -11.065 6.569 -2.265 178 2HG PRO 17 2HG PRO 17 -9.650 5.584 -2.578 179 1HD PRO 17 1HD PRO 17 -9.971 7.506 -0.474 180 2HD PRO 17 2HD PRO 17 -8.517 6.606 -0.859 181 QB PRO 17 QB PRO 17 -9.800 7.256 -4.310 182 QG PRO 17 QG PRO 17 -10.358 6.076 -2.422 183 QD PRO 17 QD PRO 17 -9.244 7.056 -0.666 184 H SER 18 H SER 18 -10.349 9.693 -5.270 185 HA SER 18 HA SER 18 -12.171 11.256 -3.710 186 1HB SER 18 1HB SER 18 -10.129 12.720 -3.978 187 2HB SER 18 2HB SER 18 -10.326 12.625 -5.716 188 HG SER 18 HG SER 18 -12.376 13.673 -5.535 189 QB SER 18 QB SER 18 -10.227 12.673 -4.847 190 H ASN 19 H ASN 19 -10.793 10.438 -6.953 191 HA ASN 19 HA ASN 19 -13.490 10.652 -8.017 192 1HB ASN 19 1HB ASN 19 -10.960 10.279 -9.674 193 2HB ASN 19 2HB ASN 19 -12.495 10.952 -10.189 194 1HD2 ASN 19 1HD2 ASN 19 -10.148 12.252 -10.671 195 2HD2 ASN 19 2HD2 ASN 19 -10.038 13.707 -9.739 196 QB ASN 19 QB ASN 19 -11.728 10.615 -9.931 197 QD ASN 19 QD2 ASN 19 -10.093 12.979 -10.205 198 H GLU 20 H GLU 20 -13.072 8.969 -10.326 199 HA GLU 20 HA GLU 20 -12.959 6.403 -8.985 200 1HB GLU 20 1HB GLU 20 -14.156 7.325 -11.623 201 2HB GLU 20 2HB GLU 20 -13.998 5.625 -11.228 202 1HG GLU 20 1HG GLU 20 -16.047 5.874 -10.245 203 2HG GLU 20 2HG GLU 20 -15.148 6.564 -8.910 204 QB GLU 20 QB GLU 20 -14.077 6.475 -11.425 205 QG GLU 20 QG GLU 20 -15.598 6.219 -9.578 206 H GLU 21 H GLU 21 -11.382 8.401 -11.462 207 HA GLU 21 HA GLU 21 -10.011 6.399 -12.775 208 1HB GLU 21 1HB GLU 21 -9.980 8.492 -13.837 209 2HB GLU 21 2HB GLU 21 -9.591 9.358 -12.364 210 1HG GLU 21 1HG GLU 21 -7.299 8.735 -12.441 211 2HG GLU 21 2HG GLU 21 -7.602 7.369 -13.497 212 QB GLU 21 QB GLU 21 -9.786 8.925 -13.101 213 QG GLU 21 QG GLU 21 -7.451 8.052 -12.969 214 H GLN 22 H GLN 22 -9.058 8.443 -9.932 215 HA GLN 22 HA GLN 22 -6.541 7.340 -9.652 216 1HB GLN 22 1HB GLN 22 -8.421 8.915 -7.931 217 2HB GLN 22 2HB GLN 22 -7.123 8.083 -7.099 218 1HG GLN 22 1HG GLN 22 -5.502 9.459 -7.968 219 2HG GLN 22 2HG GLN 22 -6.236 9.489 -9.559 220 1HE2 GLN 22 1HE2 GLN 22 -6.539 10.714 -6.256 221 2HE2 GLN 22 2HE2 GLN 22 -7.292 12.226 -6.639 222 QB GLN 22 QB GLN 22 -7.772 8.499 -7.515 223 QG GLN 22 QG GLN 22 -5.869 9.474 -8.764 224 QE GLN 22 QE2 GLN 22 -6.915 11.470 -6.447 225 H ILE 23 H ILE 23 -9.756 6.357 -8.374 226 HA ILE 23 HA ILE 23 -8.705 4.336 -6.684 227 HB ILE 23 HB ILE 23 -11.403 5.161 -7.667 228 1HG1 ILE 23 1HG1 ILE 23 -10.277 4.761 -4.880 229 2HG1 ILE 23 2HG1 ILE 23 -10.279 6.287 -5.743 230 1HG2 ILE 23 1HG2 ILE 23 -11.448 2.722 -7.825 231 2HG2 ILE 23 2HG2 ILE 23 -10.852 2.592 -6.153 232 3HG2 ILE 23 3HG2 ILE 23 -12.453 3.300 -6.475 233 1HD1 ILE 23 1HD1 ILE 23 -12.942 5.140 -5.862 234 2HD1 ILE 23 2HD1 ILE 23 -12.383 5.177 -4.173 235 3HD1 ILE 23 3HD1 ILE 23 -12.422 6.677 -5.131 236 MG ILE 23 QG2 ILE 23 -11.584 2.871 -6.818 237 MD ILE 23 QD1 ILE 23 -12.582 5.664 -5.055 238 QG ILE 23 QG1 ILE 23 -10.278 5.524 -5.311 239 H LYS 24 H LYS 24 -9.966 4.469 -10.051 240 HA LYS 24 HA LYS 24 -9.929 1.687 -10.445 241 1HB LYS 24 1HB LYS 24 -11.251 2.761 -11.978 242 2HB LYS 24 2HB LYS 24 -10.165 4.125 -12.147 243 1HG LYS 24 1HG LYS 24 -8.593 2.793 -13.477 244 2HG LYS 24 2HG LYS 24 -9.500 1.325 -13.168 245 1HD LYS 24 1HD LYS 24 -10.788 1.737 -14.985 246 2HD LYS 24 2HD LYS 24 -11.366 3.216 -14.243 247 1HE LYS 24 1HE LYS 24 -10.378 3.832 -16.366 248 2HE LYS 24 2HE LYS 24 -9.287 4.395 -15.116 249 1HZ LYS 24 1HZ LYS 24 -8.892 1.740 -16.239 250 2HZ LYS 24 2HZ LYS 24 -8.392 3.043 -17.086 251 3HZ LYS 24 3HZ LYS 24 -7.792 2.761 -15.594 252 QB LYS 24 QB LYS 24 -10.708 3.443 -12.063 253 QD LYS 24 QD LYS 24 -11.077 2.476 -14.614 254 QG LYS 24 QG LYS 24 -9.047 2.059 -13.323 255 QE LYS 24 QE LYS 24 -9.833 4.114 -15.741 256 QZ LYS 24 QZ LYS 24 -8.359 2.515 -16.306 257 H ASN 25 H ASN 25 -7.414 4.010 -10.044 258 HA ASN 25 HA ASN 25 -5.537 2.846 -11.761 259 1HB ASN 25 1HB ASN 25 -5.592 5.177 -10.425 260 2HB ASN 25 2HB ASN 25 -4.734 4.261 -9.202 261 1HD2 ASN 25 1HD2 ASN 25 -4.734 4.461 -12.764 262 2HD2 ASN 25 2HD2 ASN 25 -3.024 4.640 -12.972 263 QB ASN 25 QB ASN 25 -5.163 4.719 -9.813 264 QD ASN 25 QD2 ASN 25 -3.879 4.551 -12.868 265 H LEU 26 H LEU 26 -6.448 2.482 -8.285 266 HA LEU 26 HA LEU 26 -4.313 0.793 -7.583 267 1HB LEU 26 1HB LEU 26 -6.902 1.647 -6.410 268 2HB LEU 26 2HB LEU 26 -6.209 0.161 -5.792 269 HG LEU 26 HG LEU 26 -4.910 2.898 -5.798 270 1HD1 LEU 26 2HD1 LEU 26 -6.789 1.939 -4.074 271 2HD1 LEU 26 3HD1 LEU 26 -5.285 1.436 -3.267 272 3HD1 LEU 26 1HD1 LEU 26 -5.552 3.151 -3.663 273 1HD2 LEU 26 3HD2 LEU 26 -3.782 0.178 -5.303 274 2HD2 LEU 26 1HD2 LEU 26 -3.035 1.619 -6.032 275 3HD2 LEU 26 2HD2 LEU 26 -3.242 1.520 -4.267 276 MD1 LEU 26 QD1 LEU 26 -5.876 2.175 -3.668 277 MD2 LEU 26 QD2 LEU 26 -3.353 1.105 -5.201 278 QB LEU 26 QB LEU 26 -6.555 0.904 -6.101 279 QD LEU 26 QQD LEU 26 -4.614 1.640 -4.434 280 H LEU 27 H LEU 27 -7.655 0.205 -8.807 281 HA LEU 27 HA LEU 27 -7.720 -2.523 -8.500 282 1HB LEU 27 1HB LEU 27 -9.000 -0.556 -10.336 283 2HB LEU 27 2HB LEU 27 -9.148 -2.258 -10.726 284 HG LEU 27 HG LEU 27 -9.759 -1.824 -7.929 285 1HD1 LEU 27 1HD1 LEU 27 -11.015 0.042 -9.905 286 2HD1 LEU 27 2HD1 LEU 27 -12.002 -0.618 -8.579 287 3HD1 LEU 27 3HD1 LEU 27 -10.532 0.318 -8.215 288 1HD2 LEU 27 2HD2 LEU 27 -10.456 -3.581 -9.898 289 2HD2 LEU 27 3HD2 LEU 27 -11.284 -3.416 -8.331 290 3HD2 LEU 27 1HD2 LEU 27 -11.927 -2.587 -9.769 291 MD1 LEU 27 QD1 LEU 27 -11.183 -0.086 -8.900 292 MD2 LEU 27 QD2 LEU 27 -11.222 -3.195 -9.333 293 QB LEU 27 QB LEU 27 -9.074 -1.407 -10.531 294 QD LEU 27 QQD LEU 27 -11.203 -1.640 -9.116 295 H GLN 28 H GLN 28 -6.583 -0.638 -11.393 296 HA GLN 28 HA GLN 28 -5.806 -2.798 -12.864 297 1HB GLN 28 1HB GLN 28 -5.850 -0.164 -13.325 298 2HB GLN 28 2HB GLN 28 -4.146 -0.283 -12.938 299 1HG GLN 28 1HG GLN 28 -4.830 -2.468 -14.710 300 2HG GLN 28 2HG GLN 28 -5.460 -0.986 -15.398 301 1HE2 GLN 28 1HE2 GLN 28 -2.800 -2.955 -15.059 302 2HE2 GLN 28 2HE2 GLN 28 -1.539 -1.882 -15.566 303 QB GLN 28 QB GLN 28 -4.998 -0.223 -13.131 304 QG GLN 28 QG GLN 28 -5.145 -1.727 -15.054 305 QE GLN 28 QE2 GLN 28 -2.170 -2.419 -15.312 306 H LEU 29 H LEU 29 -4.127 -1.104 -10.194 307 HA LEU 29 HA LEU 29 -1.628 -2.352 -10.610 308 1HB LEU 29 1HB LEU 29 -1.578 -0.358 -9.432 309 2HB LEU 29 2HB LEU 29 -2.924 -0.801 -8.401 310 HG LEU 29 HG LEU 29 -1.435 -2.512 -7.308 311 1HD1 LEU 29 1HD1 LEU 29 0.381 -1.603 -9.402 312 2HD1 LEU 29 2HD1 LEU 29 1.110 -1.530 -7.779 313 3HD1 LEU 29 3HD1 LEU 29 0.437 -3.063 -8.383 314 1HD2 LEU 29 3HD2 LEU 29 -1.322 0.402 -7.079 315 2HD2 LEU 29 1HD2 LEU 29 -1.495 -0.848 -5.823 316 3HD2 LEU 29 2HD2 LEU 29 0.121 -0.412 -6.429 317 MD1 LEU 29 QD1 LEU 29 0.643 -2.065 -8.521 318 MD2 LEU 29 QD2 LEU 29 -0.899 -0.286 -6.444 319 QB LEU 29 QB LEU 29 -2.251 -0.579 -8.917 320 QD LEU 29 QQD LEU 29 -0.128 -1.176 -7.483 321 H GLU 30 H GLU 30 -4.143 -2.900 -8.038 322 HA GLU 30 HA GLU 30 -3.008 -5.185 -7.066 323 1HB GLU 30 1HB GLU 30 -5.082 -3.701 -6.296 324 2HB GLU 30 2HB GLU 30 -6.014 -4.909 -7.158 325 1HG GLU 30 1HG GLU 30 -3.893 -5.918 -5.279 326 2HG GLU 30 2HG GLU 30 -5.310 -5.188 -4.551 327 QB GLU 30 QB GLU 30 -5.548 -4.305 -6.727 328 QG GLU 30 QG GLU 30 -4.601 -5.553 -4.915 329 H ALA 31 H ALA 31 -4.651 -4.643 -10.091 330 HA ALA 31 HA ALA 31 -5.615 -7.274 -10.489 331 1HB ALA 31 1HB ALA 31 -5.948 -6.518 -12.785 332 2HB ALA 31 2HB ALA 31 -6.430 -5.223 -11.663 333 3HB ALA 31 3HB ALA 31 -4.871 -5.126 -12.516 334 MB ALA 31 QB ALA 31 -5.750 -5.622 -12.321 335 H GLN 32 H GLN 32 -2.526 -5.560 -11.106 336 HA GLN 32 HA GLN 32 -1.407 -7.423 -12.786 337 1HB GLN 32 1HB GLN 32 -0.385 -5.297 -10.941 338 2HB GLN 32 2HB GLN 32 0.785 -6.487 -11.474 339 1HG GLN 32 1HG GLN 32 -1.040 -4.961 -13.388 340 2HG GLN 32 2HG GLN 32 0.577 -4.427 -12.970 341 1HE2 GLN 32 1HE2 GLN 32 -1.320 -6.391 -14.951 342 2HE2 GLN 32 2HE2 GLN 32 -0.080 -7.290 -15.759 343 QB GLN 32 QB GLN 32 0.200 -5.892 -11.208 344 QG GLN 32 QG GLN 32 -0.232 -4.694 -13.179 345 QE GLN 32 QE2 GLN 32 -0.700 -6.840 -15.355 346 H GLU 33 H GLU 33 -1.996 -9.556 -12.056 347 HA GLU 33 HA GLU 33 -1.571 -10.476 -9.506 348 1HB GLU 33 1HB GLU 33 -2.851 -11.552 -11.483 349 2HB GLU 33 2HB GLU 33 -1.304 -12.194 -12.001 350 1HG GLU 33 1HG GLU 33 -2.205 -12.597 -9.135 351 2HG GLU 33 2HG GLU 33 -2.856 -13.623 -10.397 352 QB GLU 33 QB GLU 33 -2.078 -11.873 -11.742 353 QG GLU 33 QG GLU 33 -2.530 -13.110 -9.766 354 H HIS 34 H HIS 34 0.423 -9.968 -8.559 355 HA HIS 34 HA HIS 34 2.545 -11.677 -9.091 356 1HB HIS 34 1HB HIS 34 2.607 -9.070 -10.528 357 2HB HIS 34 2HB HIS 34 4.091 -9.570 -9.741 358 HD1 HIS 34 HD1 HIS 34 4.720 -12.280 -10.372 359 HD2 HIS 34 HD2 HIS 34 2.427 -10.029 -13.069 360 HE1 HIS 34 HE1 HIS 34 4.918 -13.452 -12.631 361 HE2 HIS 34 HE2 HIS 34 3.444 -12.054 -14.234 362 QB HIS 34 QB HIS 34 3.349 -9.320 -10.134 363 H LEU 35 H LEU 35 1.981 -8.212 -8.131 364 HA LEU 35 HA LEU 35 3.725 -8.386 -5.924 365 1HB LEU 35 1HB LEU 35 1.523 -6.385 -6.010 366 2HB LEU 35 2HB LEU 35 3.202 -6.195 -5.546 367 HG LEU 35 HG LEU 35 2.021 -6.271 -8.319 368 1HD1 LEU 35 1HD1 LEU 35 2.528 -4.181 -6.637 369 2HD1 LEU 35 2HD1 LEU 35 4.030 -4.248 -7.590 370 3HD1 LEU 35 3HD1 LEU 35 2.462 -4.075 -8.412 371 1HD2 LEU 35 3HD2 LEU 35 4.648 -7.235 -7.492 372 2HD2 LEU 35 1HD2 LEU 35 3.805 -7.386 -9.052 373 3HD2 LEU 35 2HD2 LEU 35 4.741 -5.918 -8.685 374 MD1 LEU 35 QD1 LEU 35 3.007 -4.168 -7.546 375 MD2 LEU 35 QD2 LEU 35 4.398 -6.846 -8.410 376 QB LEU 35 QB LEU 35 2.362 -6.290 -5.778 377 QD LEU 35 QQD LEU 35 3.702 -5.507 -7.978 378 H GLN 36 H GLN 36 0.270 -9.077 -6.446 379 HA GLN 36 HA GLN 36 -1.209 -10.070 -5.204 380 1HB GLN 36 1HB GLN 36 1.314 -10.926 -3.838 381 2HB GLN 36 2HB GLN 36 -0.169 -11.155 -2.933 382 1HG GLN 36 1HG GLN 36 -1.154 -12.367 -4.915 383 2HG GLN 36 2HG GLN 36 0.373 -12.193 -5.756 384 1HE2 GLN 36 1HE2 GLN 36 0.429 -14.479 -5.876 385 2HE2 GLN 36 2HE2 GLN 36 0.970 -15.446 -4.546 386 QB GLN 36 QB GLN 36 0.573 -11.040 -3.386 387 QG GLN 36 QG GLN 36 -0.391 -12.280 -5.336 388 QE GLN 36 QE2 GLN 36 0.700 -14.963 -5.211 389 H LEU 37 H LEU 37 -1.482 -7.485 -4.981 390 HA LEU 37 HA LEU 37 -1.214 -6.675 -2.205 391 1HB LEU 37 1HB LEU 37 -2.450 -4.948 -4.294 392 2HB LEU 37 2HB LEU 37 -1.440 -4.518 -2.927 393 HG LEU 37 HG LEU 37 0.291 -5.997 -4.492 394 1HD1 LEU 37 1HD1 LEU 37 -1.382 -6.064 -6.309 395 2HD1 LEU 37 2HD1 LEU 37 -1.369 -4.285 -6.362 396 3HD1 LEU 37 3HD1 LEU 37 0.104 -5.198 -6.769 397 1HD2 LEU 37 3HD2 LEU 37 0.260 -3.557 -3.327 398 2HD2 LEU 37 1HD2 LEU 37 1.538 -4.122 -4.430 399 3HD2 LEU 37 2HD2 LEU 37 0.223 -3.091 -5.044 400 MD1 LEU 37 QD1 LEU 37 -0.882 -5.183 -6.480 401 MD2 LEU 37 QD2 LEU 37 0.674 -3.590 -4.267 402 QB LEU 37 QB LEU 37 -1.945 -4.733 -3.611 403 QD LEU 37 QQD LEU 37 -0.104 -4.386 -5.373 404 H ASP 38 H ASP 38 -3.016 -5.998 -0.907 405 HA ASP 38 HA ASP 38 -5.587 -6.836 -1.961 406 1HB ASP 38 1HB ASP 38 -4.350 -8.541 -0.355 407 2HB ASP 38 2HB ASP 38 -4.805 -7.420 0.912 408 QB ASP 38 QB ASP 38 -4.577 -7.980 0.279 409 H PHE 39 H PHE 39 -7.110 -5.211 -1.557 410 HA PHE 39 HA PHE 39 -6.282 -3.004 0.111 411 1HB PHE 39 1HB PHE 39 -8.802 -3.595 -1.557 412 2HB PHE 39 2HB PHE 39 -8.403 -2.026 -0.888 413 HD1 PHE 39 HD1 PHE 39 -8.577 -3.591 -3.844 414 HD2 PHE 39 HD2 PHE 39 -5.682 -1.532 -1.523 415 HE1 PHE 39 HE1 PHE 39 -7.306 -3.022 -5.933 416 HE2 PHE 39 HE2 PHE 39 -4.411 -0.963 -3.611 417 HZ PHE 39 HZ PHE 39 -5.238 -1.715 -5.791 418 QB PHE 39 QB PHE 39 -8.603 -2.811 -1.223 419 QD PHE 39 QD PHE 39 -7.129 -2.561 -2.684 420 QE PHE 39 QE PHE 39 -5.859 -1.993 -4.772 421 QR PHE 39 QR PHE 39 -6.243 -2.165 -4.141 422 H TRP 40 H TRP 40 -7.104 -2.482 2.112 423 HA TRP 40 HA TRP 40 -8.699 -4.478 3.411 424 1HB TRP 40 1HB TRP 40 -7.366 -1.923 4.261 425 2HB TRP 40 2HB TRP 40 -8.512 -2.732 5.312 426 HD1 TRP 40 HD1 TRP 40 -6.561 -5.285 3.402 427 HE1 TRP 40 HE1 TRP 40 -4.655 -6.411 4.839 428 HE3 TRP 40 HE3 TRP 40 -6.746 -1.942 7.230 429 HZ2 TRP 40 HZ2 TRP 40 -3.466 -5.792 7.359 430 HZ3 TRP 40 HZ3 TRP 40 -5.179 -2.275 9.139 431 HH2 TRP 40 HH2 TRP 40 -3.579 -4.120 9.243 432 QB TRP 40 QB TRP 40 -7.939 -2.327 4.787 433 H LYS 41 H LYS 41 -9.037 -0.874 2.982 434 HA LYS 41 HA LYS 41 -11.906 -1.178 3.264 435 1HB LYS 41 1HB LYS 41 -9.948 1.075 3.423 436 2HB LYS 41 2HB LYS 41 -11.595 1.457 2.963 437 1HG LYS 41 1HG LYS 41 -12.076 -0.232 5.072 438 2HG LYS 41 2HG LYS 41 -10.536 0.442 5.572 439 1HD LYS 41 1HD LYS 41 -11.626 2.297 6.284 440 2HD LYS 41 2HD LYS 41 -12.031 2.661 4.619 441 1HE LYS 41 1HE LYS 41 -13.755 0.565 5.834 442 2HE LYS 41 2HE LYS 41 -13.874 2.123 6.629 443 1HZ LYS 41 1HZ LYS 41 -13.963 2.857 4.101 444 2HZ LYS 41 2HZ LYS 41 -14.646 1.380 3.963 445 3HZ LYS 41 3HZ LYS 41 -15.299 2.491 4.966 446 QB LYS 41 QB LYS 41 -10.771 1.266 3.193 447 QD LYS 41 QD LYS 41 -11.829 2.479 5.451 448 QG LYS 41 QG LYS 41 -11.306 0.105 5.322 449 QE LYS 41 QE LYS 41 -13.814 1.344 6.231 450 QZ LYS 41 QZ LYS 41 -14.636 2.243 4.343 451 H SER 42 H SER 42 -12.991 -1.829 1.478 452 HA SER 42 HA SER 42 -12.141 -1.896 -1.029 453 1HB SER 42 1HB SER 42 -14.465 -1.997 -1.731 454 2HB SER 42 2HB SER 42 -14.328 -2.778 -0.168 455 HG SER 42 HG SER 42 -14.859 -0.369 0.572 456 QB SER 42 QB SER 42 -14.396 -2.388 -0.950 457 HA PRO 43 HA PRO 43 -11.736 2.467 -1.789 458 1HB PRO 43 1HB PRO 43 -9.881 2.267 -3.785 459 2HB PRO 43 2HB PRO 43 -9.454 2.379 -2.090 460 1HG PRO 43 1HG PRO 43 -9.400 0.013 -3.863 461 2HG PRO 43 2HG PRO 43 -8.597 0.250 -2.324 462 1HD PRO 43 1HD PRO 43 -10.962 -1.299 -2.804 463 2HD PRO 43 2HD PRO 43 -10.225 -0.967 -1.250 464 QB PRO 43 QB PRO 43 -9.668 2.323 -2.937 465 QG PRO 43 QG PRO 43 -8.998 0.132 -3.093 466 QD PRO 43 QD PRO 43 -10.593 -1.133 -2.027 467 H THR 44 H THR 44 -13.273 0.094 -3.347 468 HA THR 44 HA THR 44 -13.633 0.773 -5.918 469 HB THR 44 HB THR 44 -15.426 -0.243 -3.709 470 HG1 THR 44 HG1 THR 44 -15.022 -2.080 -4.972 471 1HG2 THR 44 1HG2 THR 44 -16.341 0.894 -6.333 472 2HG2 THR 44 2HG2 THR 44 -16.925 -0.742 -5.946 473 3HG2 THR 44 3HG2 THR 44 -17.269 0.609 -4.841 474 MG THR 44 QG2 THR 44 -16.845 0.254 -5.707 475 H THR 45 H THR 45 -15.555 2.295 -3.238 476 HA THR 45 HA THR 45 -16.115 4.496 -5.096 477 HB THR 45 HB THR 45 -18.074 4.855 -3.756 478 HG1 THR 45 HG1 THR 45 -18.104 3.786 -1.599 479 1HG2 THR 45 3HG2 THR 45 -17.998 2.516 -4.937 480 2HG2 THR 45 1HG2 THR 45 -17.664 1.866 -3.315 481 3HG2 THR 45 2HG2 THR 45 -19.185 2.734 -3.630 482 MG THR 45 QG2 THR 45 -18.282 2.372 -3.961 483 HA PRO 46 HA PRO 46 -13.634 7.223 -2.906 484 1HB PRO 46 1HB PRO 46 -14.899 9.615 -3.298 485 2HB PRO 46 2HB PRO 46 -13.879 8.860 -4.507 486 1HG PRO 46 1HG PRO 46 -16.828 9.037 -4.419 487 2HG PRO 46 2HG PRO 46 -15.790 8.681 -5.785 488 1HD PRO 46 1HD PRO 46 -17.345 6.801 -4.274 489 2HD PRO 46 2HD PRO 46 -16.217 6.432 -5.565 490 QB PRO 46 QB PRO 46 -14.389 9.238 -3.902 491 QG PRO 46 QG PRO 46 -16.309 8.859 -5.102 492 QD PRO 46 QD PRO 46 -16.781 6.616 -4.919 493 H GLY 47 H GLY 47 -13.896 9.409 -1.387 494 1HA GLY 47 2HA GLY 47 -16.009 9.326 0.450 495 2HA GLY 47 1HA GLY 47 -14.444 10.078 0.687 496 QA GLY 47 QA GLY 47 -15.227 9.702 0.569 497 H GLU 48 H GLU 48 -13.394 7.115 -0.053 498 HA GLU 48 HA GLU 48 -13.459 6.308 2.734 499 1HB GLU 48 1HB GLU 48 -14.095 4.083 2.286 500 2HB GLU 48 2HB GLU 48 -15.158 5.015 1.250 501 1HG GLU 48 1HG GLU 48 -14.395 3.489 -0.318 502 2HG GLU 48 2HG GLU 48 -13.155 4.711 -0.514 503 QB GLU 48 QB GLU 48 -14.627 4.549 1.768 504 QG GLU 48 QG GLU 48 -13.775 4.100 -0.416 505 H THR 49 H THR 49 -11.435 5.795 3.499 506 HA THR 49 HA THR 49 -9.238 5.973 1.645 507 HB THR 49 HB THR 49 -7.924 6.090 3.679 508 HG1 THR 49 HG1 THR 49 -10.379 5.210 5.009 509 1HG2 THR 49 1HG2 THR 49 -10.313 7.674 3.444 510 2HG2 THR 49 2HG2 THR 49 -10.168 7.192 5.151 511 3HG2 THR 49 3HG2 THR 49 -8.837 8.068 4.358 512 MG THR 49 QG2 THR 49 -9.773 7.645 4.317 513 H ALA 50 H ALA 50 -7.510 4.376 1.479 514 HA ALA 50 HA ALA 50 -8.607 1.661 1.759 515 1HB ALA 50 3HB ALA 50 -7.857 1.157 -0.343 516 2HB ALA 50 1HB ALA 50 -8.037 2.913 -0.577 517 3HB ALA 50 2HB ALA 50 -6.438 2.223 -0.209 518 MB ALA 50 QB ALA 50 -7.444 2.097 -0.376 519 H HIS 51 H HIS 51 -7.006 -0.042 2.242 520 HA HIS 51 HA HIS 51 -4.459 0.904 3.220 521 1HB HIS 51 1HB HIS 51 -6.011 -0.757 5.154 522 2HB HIS 51 2HB HIS 51 -4.718 0.391 5.443 523 HD1 HIS 51 HD1 HIS 51 -8.264 0.038 5.866 524 HD2 HIS 51 HD2 HIS 51 -5.716 3.220 4.877 525 HE1 HIS 51 HE1 HIS 51 -9.572 2.176 6.344 526 HE2 HIS 51 HE2 HIS 51 -7.936 4.097 5.769 527 QB HIS 51 QB HIS 51 -5.364 -0.183 5.299 528 H VAL 52 H VAL 52 -3.416 -0.356 1.663 529 HA VAL 52 HA VAL 52 -4.009 -3.230 1.786 530 HB VAL 52 HB VAL 52 -4.375 -2.732 -0.393 531 1HG1 VAL 52 3HG1 VAL 52 -2.318 -0.515 -0.147 532 2HG1 VAL 52 1HG1 VAL 52 -3.127 -0.959 -1.670 533 3HG1 VAL 52 2HG1 VAL 52 -4.085 -0.353 -0.298 534 1HG2 VAL 52 2HG2 VAL 52 -2.148 -4.137 0.004 535 2HG2 VAL 52 3HG2 VAL 52 -2.708 -3.705 -1.629 536 3HG2 VAL 52 1HG2 VAL 52 -1.419 -2.755 -0.850 537 MG1 VAL 52 QG1 VAL 52 -3.177 -0.609 -0.705 538 MG2 VAL 52 QG2 VAL 52 -2.092 -3.532 -0.825 539 QG VAL 52 QQG VAL 52 -2.634 -2.070 -0.765 540 H ARG 53 H ARG 53 -2.297 -4.711 2.079 541 HA ARG 53 HA ARG 53 -0.043 -3.504 3.375 542 1HB ARG 53 1HB ARG 53 -0.526 -6.489 2.977 543 2HB ARG 53 2HB ARG 53 0.420 -5.717 4.235 544 1HG ARG 53 1HG ARG 53 -1.552 -4.840 5.323 545 2HG ARG 53 2HG ARG 53 -2.568 -5.206 3.943 546 1HD ARG 53 1HD ARG 53 -1.146 -7.580 5.026 547 2HD ARG 53 2HD ARG 53 -2.244 -6.841 6.174 548 HE ARG 53 HE ARG 53 -3.463 -7.129 3.544 549 1HH1 ARG 53 2HH1 ARG 53 -5.139 -8.662 3.284 550 2HH1 ARG 53 1HH1 ARG 53 -5.371 -9.901 4.471 551 1HH2 ARG 53 2HH2 ARG 53 -2.712 -8.842 6.525 552 2HH2 ARG 53 1HH2 ARG 53 -3.981 -10.004 6.328 553 QB ARG 53 QB ARG 53 -0.053 -6.103 3.606 554 QG ARG 53 QG ARG 53 -2.060 -5.023 4.633 555 QD ARG 53 QD ARG 53 -1.695 -7.210 5.600 556 QH1 ARG 53 QH1 ARG 53 -5.255 -9.281 3.878 557 QH2 ARG 53 QH2 ARG 53 -3.346 -9.423 6.426 558 H VAL 54 H VAL 54 1.046 -2.594 1.480 559 HA VAL 54 HA VAL 54 1.848 -4.427 -0.601 560 HB VAL 54 HB VAL 54 1.156 -1.877 -0.681 561 1HG1 VAL 54 3HG1 VAL 54 3.388 -1.545 0.808 562 2HG1 VAL 54 1HG1 VAL 54 4.080 -1.366 -0.822 563 3HG1 VAL 54 2HG1 VAL 54 2.749 -0.306 -0.299 564 1HG2 VAL 54 3HG2 VAL 54 2.072 -3.622 -2.488 565 2HG2 VAL 54 1HG2 VAL 54 1.838 -1.898 -2.863 566 3HG2 VAL 54 2HG2 VAL 54 3.462 -2.511 -2.469 567 MG1 VAL 54 QG1 VAL 54 3.406 -1.072 -0.104 568 MG2 VAL 54 QG2 VAL 54 2.458 -2.677 -2.607 569 QG VAL 54 QQG VAL 54 2.932 -1.875 -1.356 570 HA PRO 55 HA PRO 55 5.667 -5.368 1.198 571 1HB PRO 55 1HB PRO 55 7.051 -6.243 -0.991 572 2HB PRO 55 2HB PRO 55 5.902 -7.241 -0.122 573 1HG PRO 55 1HG PRO 55 5.586 -5.901 -2.738 574 2HG PRO 55 2HG PRO 55 4.650 -7.218 -2.059 575 1HD PRO 55 1HD PRO 55 3.865 -4.464 -2.230 576 2HD PRO 55 2HD PRO 55 2.981 -5.760 -1.448 577 QB PRO 55 QB PRO 55 6.477 -6.742 -0.556 578 QG PRO 55 QG PRO 55 5.118 -6.560 -2.398 579 QD PRO 55 QD PRO 55 3.423 -5.112 -1.839 580 H PHE 56 H PHE 56 7.485 -4.386 1.918 581 HA PHE 56 HA PHE 56 7.921 -1.792 1.235 582 1HB PHE 56 1HB PHE 56 8.874 -3.471 3.088 583 2HB PHE 56 2HB PHE 56 10.160 -3.759 1.932 584 HD1 PHE 56 HD1 PHE 56 8.826 -1.490 4.400 585 HD2 PHE 56 HD2 PHE 56 11.645 -1.865 1.251 586 HE1 PHE 56 HE1 PHE 56 10.041 0.536 5.248 587 HE2 PHE 56 HE2 PHE 56 12.861 0.161 2.098 588 HZ PHE 56 HZ PHE 56 12.044 1.337 4.087 589 QB PHE 56 QB PHE 56 9.517 -3.615 2.510 590 QD PHE 56 QD PHE 56 10.235 -1.678 2.826 591 QE PHE 56 QE PHE 56 11.451 0.349 3.673 592 QR PHE 56 QR PHE 56 11.083 -0.264 3.417 593 H VAL 57 H VAL 57 9.321 -4.757 -0.253 594 HA VAL 57 HA VAL 57 11.196 -3.392 -1.846 595 HB VAL 57 HB VAL 57 11.564 -5.661 -1.424 596 1HG1 VAL 57 1HG1 VAL 57 8.670 -6.002 -2.142 597 2HG1 VAL 57 2HG1 VAL 57 9.786 -7.372 -2.363 598 3HG1 VAL 57 3HG1 VAL 57 9.585 -6.638 -0.753 599 1HG2 VAL 57 2HG2 VAL 57 10.590 -5.289 -4.270 600 2HG2 VAL 57 3HG2 VAL 57 12.253 -5.159 -3.648 601 3HG2 VAL 57 1HG2 VAL 57 11.450 -6.746 -3.714 602 MG1 VAL 57 QG1 VAL 57 9.347 -6.670 -1.753 603 MG2 VAL 57 QG2 VAL 57 11.431 -5.731 -3.878 604 QG VAL 57 QQG VAL 57 10.389 -6.201 -2.815 605 H ASN 58 H ASN 58 7.733 -3.695 -1.967 606 HA ASN 58 HA ASN 58 7.823 -2.754 -4.726 607 1HB ASN 58 1HB ASN 58 6.603 -4.993 -4.173 608 2HB ASN 58 2HB ASN 58 5.407 -4.016 -3.346 609 1HD2 ASN 58 1HD2 ASN 58 7.209 -4.124 -6.416 610 2HD2 ASN 58 2HD2 ASN 58 5.896 -3.690 -7.459 611 QB ASN 58 QB ASN 58 6.005 -4.505 -3.759 612 QD ASN 58 QD2 ASN 58 6.552 -3.907 -6.937 613 H VAL 59 H VAL 59 7.840 -1.542 -1.760 614 HA VAL 59 HA VAL 59 5.389 -0.077 -1.652 615 HB VAL 59 HB VAL 59 7.889 -0.336 -0.070 616 1HG1 VAL 59 1HG1 VAL 59 6.103 2.114 0.046 617 2HG1 VAL 59 2HG1 VAL 59 7.220 1.632 1.346 618 3HG1 VAL 59 3HG1 VAL 59 7.855 2.057 -0.262 619 1HG2 VAL 59 1HG2 VAL 59 5.805 -1.649 0.366 620 2HG2 VAL 59 2HG2 VAL 59 6.354 -0.683 1.757 621 3HG2 VAL 59 3HG2 VAL 59 4.981 -0.124 0.772 622 MG1 VAL 59 QG1 VAL 59 7.060 1.935 0.377 623 MG2 VAL 59 QG2 VAL 59 5.713 -0.819 0.965 624 QG VAL 59 QQG VAL 59 6.386 0.558 0.671 625 H GLN 60 H GLN 60 8.699 0.409 -2.897 626 HA GLN 60 HA GLN 60 8.451 3.175 -3.210 627 1HB GLN 60 1HB GLN 60 10.568 1.636 -3.244 628 2HB GLN 60 2HB GLN 60 10.205 1.407 -4.944 629 1HG GLN 60 1HG GLN 60 11.537 3.281 -5.160 630 2HG GLN 60 2HG GLN 60 10.016 4.105 -4.878 631 1HE2 GLN 60 1HE2 GLN 60 12.340 5.367 -4.345 632 2HE2 GLN 60 2HE2 GLN 60 12.582 5.571 -2.642 633 QB GLN 60 QB GLN 60 10.387 1.521 -4.094 634 QG GLN 60 QG GLN 60 10.777 3.693 -5.019 635 QE GLN 60 QE2 GLN 60 12.461 5.469 -3.494 636 H ALA 61 H ALA 61 8.493 0.577 -5.766 637 HA ALA 61 HA ALA 61 7.713 2.051 -7.885 638 1HB ALA 61 2HB ALA 61 6.494 -0.182 -8.546 639 2HB ALA 61 1HB ALA 61 7.195 -0.794 -7.028 640 3HB ALA 61 3HB ALA 61 8.259 -0.178 -8.314 641 MB ALA 61 QB ALA 61 7.316 -0.385 -7.963 642 H VAL 62 H VAL 62 5.700 0.884 -5.164 643 HA VAL 62 HA VAL 62 3.245 1.614 -6.399 644 HB VAL 62 HB VAL 62 4.075 0.922 -3.581 645 1HG1 VAL 62 3HG1 VAL 62 1.566 2.105 -4.559 646 2HG1 VAL 62 1HG1 VAL 62 1.343 0.589 -3.654 647 3HG1 VAL 62 2HG1 VAL 62 2.198 1.955 -2.901 648 1HG2 VAL 62 2HG2 VAL 62 3.972 -0.765 -5.603 649 2HG2 VAL 62 3HG2 VAL 62 3.331 -1.220 -4.006 650 3HG2 VAL 62 1HG2 VAL 62 2.219 -0.699 -5.296 651 MG1 VAL 62 QG1 VAL 62 1.702 1.549 -3.705 652 MG2 VAL 62 QG2 VAL 62 3.174 -0.895 -4.969 653 QG VAL 62 QQG VAL 62 2.438 0.327 -4.337 654 H LYS 63 H LYS 63 5.499 3.126 -4.015 655 HA LYS 63 HA LYS 63 3.932 5.330 -3.419 656 1HB LYS 63 1HB LYS 63 6.232 4.391 -2.476 657 2HB LYS 63 2HB LYS 63 6.912 5.579 -3.569 658 1HG LYS 63 1HG LYS 63 5.128 7.215 -2.486 659 2HG LYS 63 2HG LYS 63 5.075 6.027 -1.198 660 1HD LYS 63 1HD LYS 63 7.800 6.298 -1.523 661 2HD LYS 63 2HD LYS 63 7.265 7.910 -1.954 662 1HE LYS 63 1HE LYS 63 5.986 8.058 0.196 663 2HE LYS 63 2HE LYS 63 6.525 6.447 0.627 664 1HZ LYS 63 1HZ LYS 63 8.555 8.383 -0.087 665 2HZ LYS 63 2HZ LYS 63 7.823 8.563 1.361 666 3HZ LYS 63 3HZ LYS 63 8.611 7.176 1.011 667 QB LYS 63 QB LYS 63 6.572 4.985 -3.023 668 QD LYS 63 QD LYS 63 7.533 7.104 -1.739 669 QG LYS 63 QG LYS 63 5.102 6.621 -1.842 670 QE LYS 63 QE LYS 63 6.255 7.252 0.412 671 QZ LYS 63 QZ LYS 63 8.330 8.041 0.762 672 H VAL 64 H VAL 64 6.047 4.608 -6.210 673 HA VAL 64 HA VAL 64 5.957 7.267 -7.217 674 HB VAL 64 HB VAL 64 6.849 4.584 -8.223 675 1HG1 VAL 64 3HG1 VAL 64 5.785 5.746 -10.138 676 2HG1 VAL 64 1HG1 VAL 64 6.859 7.139 -9.866 677 3HG1 VAL 64 2HG1 VAL 64 7.544 5.566 -10.338 678 1HG2 VAL 64 2HG2 VAL 64 8.150 6.226 -6.633 679 2HG2 VAL 64 3HG2 VAL 64 8.998 5.394 -7.959 680 3HG2 VAL 64 1HG2 VAL 64 8.500 7.093 -8.148 681 MG1 VAL 64 QG1 VAL 64 6.729 6.150 -10.114 682 MG2 VAL 64 QG2 VAL 64 8.549 6.238 -7.580 683 QG VAL 64 QQG VAL 64 7.639 6.194 -8.847 684 H PHE 65 H PHE 65 4.004 4.297 -7.548 685 HA PHE 65 HA PHE 65 2.581 5.060 -9.821 686 1HB PHE 65 1HB PHE 65 2.743 2.792 -8.570 687 2HB PHE 65 2HB PHE 65 1.666 3.458 -7.359 688 HD1 PHE 65 HD1 PHE 65 1.633 3.538 -11.097 689 HD2 PHE 65 HD2 PHE 65 -0.406 2.473 -7.531 690 HE1 PHE 65 HE1 PHE 65 -0.347 2.797 -12.451 691 HE2 PHE 65 HE2 PHE 65 -2.386 1.732 -8.885 692 HZ PHE 65 HZ PHE 65 -2.333 1.903 -11.329 693 QB PHE 65 QB PHE 65 2.204 3.125 -7.965 694 QD PHE 65 QD PHE 65 0.614 3.006 -9.314 695 QE PHE 65 QE PHE 65 -1.366 2.264 -10.668 696 QR PHE 65 QR PHE 65 -0.767 2.489 -10.259 697 H LEU 66 H LEU 66 1.727 5.349 -6.296 698 HA LEU 66 HA LEU 66 -0.708 6.543 -6.582 699 1HB LEU 66 1HB LEU 66 1.451 6.807 -4.503 700 2HB LEU 66 2HB LEU 66 -0.071 7.665 -4.356 701 HG LEU 66 HG LEU 66 -0.400 4.796 -4.915 702 1HD1 LEU 66 2HD1 LEU 66 1.299 5.702 -2.634 703 2HD1 LEU 66 3HD1 LEU 66 0.121 4.399 -2.346 704 3HD1 LEU 66 1HD1 LEU 66 1.369 4.208 -3.601 705 1HD2 LEU 66 2HD2 LEU 66 -1.518 6.765 -2.911 706 2HD2 LEU 66 3HD2 LEU 66 -2.316 6.065 -4.340 707 3HD2 LEU 66 1HD2 LEU 66 -1.950 5.038 -2.933 708 MD1 LEU 66 QD1 LEU 66 0.929 4.770 -2.861 709 MD2 LEU 66 QD2 LEU 66 -1.928 5.956 -3.395 710 QB LEU 66 QB LEU 66 0.690 7.236 -4.429 711 QD LEU 66 QQD LEU 66 -0.499 5.363 -3.128 712 H GLU 67 H GLU 67 2.500 8.228 -6.278 713 HA GLU 67 HA GLU 67 1.506 10.755 -6.613 714 1HB GLU 67 1HB GLU 67 4.168 9.430 -6.958 715 2HB GLU 67 2HB GLU 67 3.989 11.005 -7.705 716 1HG GLU 67 1HG GLU 67 2.858 10.956 -4.985 717 2HG GLU 67 2HG GLU 67 4.549 10.497 -4.991 718 QB GLU 67 QB GLU 67 4.078 10.217 -7.331 719 QG GLU 67 QG GLU 67 3.704 10.726 -4.988 720 H SER 68 H SER 68 2.596 8.341 -9.066 721 HA SER 68 HA SER 68 2.500 9.967 -11.258 722 1HB SER 68 1HB SER 68 2.690 8.011 -12.505 723 2HB SER 68 2HB SER 68 3.209 7.441 -10.931 724 HG SER 68 HG SER 68 1.704 5.937 -11.489 725 QB SER 68 QB SER 68 2.950 7.726 -11.718 726 H GLN 69 H GLN 69 -0.118 8.110 -9.607 727 HA GLN 69 HA GLN 69 -2.028 8.940 -11.559 728 1HB GLN 69 1HB GLN 69 -3.647 7.719 -10.100 729 2HB GLN 69 2HB GLN 69 -2.266 6.736 -10.540 730 1HG GLN 69 1HG GLN 69 -1.212 7.118 -8.361 731 2HG GLN 69 2HG GLN 69 -2.427 8.304 -7.925 732 1HE2 GLN 69 1HE2 GLN 69 -4.768 7.268 -8.575 733 2HE2 GLN 69 2HE2 GLN 69 -5.100 5.782 -7.748 734 QB GLN 69 QB GLN 69 -2.957 7.228 -10.320 735 QG GLN 69 QG GLN 69 -1.820 7.711 -8.143 736 QE GLN 69 QE2 GLN 69 -4.934 6.525 -8.162 737 H GLY 70 H GLY 70 -0.423 10.802 -9.555 738 1HA GLY 70 2HA GLY 70 -2.157 12.901 -9.418 739 2HA GLY 70 1HA GLY 70 -0.813 12.647 -8.322 740 QA GLY 70 QA GLY 70 -1.485 12.774 -8.870 741 H ILE 71 H ILE 71 -1.492 10.474 -6.786 742 HA ILE 71 HA ILE 71 -4.107 11.212 -5.671 743 HB ILE 71 HB ILE 71 -3.818 8.904 -6.620 744 1HG1 ILE 71 1HG1 ILE 71 -4.401 8.660 -3.693 745 2HG1 ILE 71 2HG1 ILE 71 -5.375 9.760 -4.648 746 1HG2 ILE 71 1HG2 ILE 71 -1.408 8.856 -5.440 747 2HG2 ILE 71 2HG2 ILE 71 -2.366 8.056 -4.173 748 3HG2 ILE 71 3HG2 ILE 71 -2.338 7.389 -5.822 749 1HD1 ILE 71 3HD1 ILE 71 -5.359 7.578 -6.310 750 2HD1 ILE 71 1HD1 ILE 71 -5.253 6.784 -4.721 751 3HD1 ILE 71 2HD1 ILE 71 -6.610 7.877 -5.082 752 MG ILE 71 QG2 ILE 71 -2.037 8.100 -5.145 753 MD ILE 71 QD1 ILE 71 -5.741 7.413 -5.371 754 QG ILE 71 QG1 ILE 71 -4.888 9.210 -4.171 755 H ALA 72 H ALA 72 -4.099 10.508 -3.156 756 HA ALA 72 HA ALA 72 -1.588 11.503 -2.008 757 1HB ALA 72 2HB ALA 72 -3.414 13.269 -2.175 758 2HB ALA 72 3HB ALA 72 -4.366 12.275 -1.047 759 3HB ALA 72 1HB ALA 72 -2.804 12.954 -0.533 760 MB ALA 72 QB ALA 72 -3.528 12.833 -1.252 761 H TYR 73 H TYR 73 -0.760 10.060 -0.584 762 HA TYR 73 HA TYR 73 -2.672 8.348 0.844 763 1HB TYR 73 1HB TYR 73 -0.672 6.635 0.533 764 2HB TYR 73 2HB TYR 73 -1.709 6.921 -0.851 765 HD1 TYR 73 HD1 TYR 73 1.630 6.745 0.228 766 HD2 TYR 73 HD2 TYR 73 -0.912 8.930 -2.431 767 HE1 TYR 73 HE1 TYR 73 3.651 7.430 -1.155 768 HE2 TYR 73 HE2 TYR 73 1.117 9.606 -3.805 769 HH TYR 73 HH TYR 73 4.310 9.116 -2.663 770 QB TYR 73 QB TYR 73 -1.190 6.778 -0.159 771 QD TYR 73 QD TYR 73 0.359 7.837 -1.101 772 QE TYR 73 QE TYR 73 2.384 8.518 -2.480 773 QR TYR 73 QR TYR 73 1.372 8.178 -1.791 774 H SER 74 H SER 74 -0.883 6.927 2.419 775 HA SER 74 HA SER 74 1.056 8.646 3.527 776 1HB SER 74 1HB SER 74 -1.670 8.515 4.760 777 2HB SER 74 2HB SER 74 -0.317 8.403 5.868 778 HG SER 74 HG SER 74 0.372 10.442 5.324 779 QB SER 74 QB SER 74 -0.993 8.459 5.314 780 H ILE 75 H ILE 75 2.009 7.570 5.611 781 HA ILE 75 HA ILE 75 1.900 4.681 5.176 782 HB ILE 75 HB ILE 75 3.951 6.468 6.483 783 1HG1 ILE 75 1HG1 ILE 75 4.572 4.738 4.144 784 2HG1 ILE 75 2HG1 ILE 75 3.546 6.126 3.837 785 1HG2 ILE 75 1HG2 ILE 75 3.570 3.525 6.569 786 2HG2 ILE 75 2HG2 ILE 75 5.222 4.113 6.260 787 3HG2 ILE 75 3HG2 ILE 75 4.356 4.623 7.728 788 1HD1 ILE 75 3HD1 ILE 75 5.767 6.871 5.588 789 2HD1 ILE 75 1HD1 ILE 75 6.359 6.126 4.083 790 3HD1 ILE 75 2HD1 ILE 75 5.298 7.553 4.012 791 MG ILE 75 QG2 ILE 75 4.383 4.087 6.852 792 MD ILE 75 QD1 ILE 75 5.808 6.850 4.561 793 QG ILE 75 QG1 ILE 75 4.059 5.432 3.991 794 H MET 76 H MET 76 1.030 3.317 6.664 795 HA MET 76 HA MET 76 -0.016 4.591 9.043 796 1HB MET 76 1HB MET 76 -1.410 3.127 7.416 797 2HB MET 76 2HB MET 76 -0.496 1.749 7.997 798 1HG MET 76 1HG MET 76 -2.134 1.588 9.589 799 2HG MET 76 2HG MET 76 -1.277 2.890 10.390 800 1HE MET 76 1HE MET 76 -2.433 4.125 11.456 801 2HE MET 76 2HE MET 76 -3.215 5.552 10.733 802 3HE MET 76 3HE MET 76 -4.208 4.210 11.351 803 QB MET 76 QB MET 76 -0.953 2.438 7.706 804 QG MET 76 QG MET 76 -1.705 2.239 9.989 805 ME MET 76 QE MET 76 -3.285 4.629 11.180 806 H ILE 77 H ILE 77 1.411 1.331 8.258 807 HA ILE 77 HA ILE 77 2.833 1.518 10.823 808 HB ILE 77 HB ILE 77 1.087 -0.117 10.962 809 1HG1 ILE 77 1HG1 ILE 77 2.413 -2.119 11.503 810 2HG1 ILE 77 2HG1 ILE 77 3.782 -1.467 10.625 811 1HG2 ILE 77 1HG2 ILE 77 2.205 -1.131 8.352 812 2HG2 ILE 77 2HG2 ILE 77 1.233 -2.166 9.426 813 3HG2 ILE 77 3HG2 ILE 77 0.533 -0.672 8.758 814 1HD1 ILE 77 2HD1 ILE 77 2.745 0.496 12.538 815 2HD1 ILE 77 3HD1 ILE 77 3.172 -1.035 13.340 816 3HD1 ILE 77 1HD1 ILE 77 4.391 -0.164 12.379 817 MG ILE 77 QG2 ILE 77 1.324 -1.323 8.845 818 MD ILE 77 QD1 ILE 77 3.436 -0.234 12.752 819 QG ILE 77 QG1 ILE 77 3.097 -1.793 11.064 820 H GLU 78 H GLU 78 5.023 0.897 10.872 821 HA GLU 78 HA GLU 78 6.140 0.148 8.301 822 1HB GLU 78 1HB GLU 78 6.275 2.730 8.939 823 2HB GLU 78 2HB GLU 78 7.589 2.205 9.973 824 1HG GLU 78 1HG GLU 78 8.278 0.886 7.683 825 2HG GLU 78 2HG GLU 78 7.424 2.243 6.979 826 QB GLU 78 QB GLU 78 6.932 2.468 9.456 827 QG GLU 78 QG GLU 78 7.851 1.564 7.331 828 H ASP 79 H ASP 79 8.881 0.743 9.693 829 HA ASP 79 HA ASP 79 9.001 -1.851 10.916 830 1HB ASP 79 1HB ASP 79 10.953 0.168 9.850 831 2HB ASP 79 2HB ASP 79 11.543 -0.882 11.123 832 QB ASP 79 QB ASP 79 11.248 -0.357 10.487 833 H VAL 80 H VAL 80 7.673 -1.086 12.850 834 HA VAL 80 HA VAL 80 8.158 0.968 14.498 835 HB VAL 80 HB VAL 80 6.474 -0.948 14.630 836 1HG1 VAL 80 2HG1 VAL 80 8.374 -2.676 14.868 837 2HG1 VAL 80 3HG1 VAL 80 8.441 -2.167 16.573 838 3HG1 VAL 80 1HG1 VAL 80 6.943 -2.862 15.909 839 1HG2 VAL 80 1HG2 VAL 80 7.603 0.758 16.714 840 2HG2 VAL 80 2HG2 VAL 80 5.903 0.394 16.328 841 3HG2 VAL 80 3HG2 VAL 80 6.831 -0.701 17.380 842 MG1 VAL 80 QG1 VAL 80 7.919 -2.568 15.783 843 MG2 VAL 80 QG2 VAL 80 6.779 0.150 16.807 844 QG VAL 80 QQG VAL 80 7.349 -1.209 16.295 845 H GLN 81 H GLN 81 10.116 1.797 15.061 846 HA GLN 81 HA GLN 81 12.301 0.025 15.506 847 1HB GLN 81 1HB GLN 81 12.404 2.355 14.420 848 2HB GLN 81 2HB GLN 81 12.215 3.022 16.029 849 1HG GLN 81 1HG GLN 81 14.256 1.040 16.249 850 2HG GLN 81 2HG GLN 81 14.604 1.918 14.774 851 1HE2 GLN 81 1HE2 GLN 81 16.304 2.041 16.885 852 2HE2 GLN 81 2HE2 GLN 81 16.297 3.613 17.611 853 QB GLN 81 QB GLN 81 12.310 2.689 15.224 854 QG GLN 81 QG GLN 81 14.430 1.479 15.511 855 QE GLN 81 QE2 GLN 81 16.300 2.827 17.248 No H/Q in entry = 855 Start of MODEL 3 1 H MET 1 H MET 1 26.960 -27.978 7.448 2 HA MET 1 HA MET 1 28.742 -26.010 6.332 3 1HB MET 1 1HB MET 1 27.903 -28.861 5.642 4 2HB MET 1 2HB MET 1 28.784 -27.906 4.466 5 1HG MET 1 1HG MET 1 30.757 -28.169 5.582 6 2HG MET 1 2HG MET 1 30.038 -27.729 7.118 7 1HE MET 1 2HE MET 1 32.154 -29.456 7.274 8 2HE MET 1 3HE MET 1 31.859 -31.186 7.572 9 3HE MET 1 1HE MET 1 32.093 -30.597 5.909 10 QB MET 1 QB MET 1 28.343 -28.383 5.054 11 QG MET 1 QG MET 1 30.398 -27.949 6.350 12 ME MET 1 QE MET 1 32.035 -30.413 6.918 13 H ARG 2 H ARG 2 26.365 -24.760 6.458 14 HA ARG 2 HA ARG 2 25.741 -24.457 3.715 15 1HB ARG 2 1HB ARG 2 24.233 -26.395 4.621 16 2HB ARG 2 2HB ARG 2 23.395 -25.156 5.534 17 1HG ARG 2 1HG ARG 2 22.154 -25.356 3.503 18 2HG ARG 2 2HG ARG 2 23.095 -23.890 3.305 19 1HD ARG 2 1HD ARG 2 24.860 -25.769 2.310 20 2HD ARG 2 2HD ARG 2 23.328 -26.500 1.875 21 HE ARG 2 HE ARG 2 22.947 -23.908 1.070 22 1HH1 ARG 2 2HH1 ARG 2 23.519 -23.017 -0.955 23 2HH1 ARG 2 1HH1 ARG 2 24.831 -23.695 -1.860 24 1HH2 ARG 2 2HH2 ARG 2 25.574 -26.183 0.520 25 2HH2 ARG 2 1HH2 ARG 2 26.008 -25.508 -1.015 26 QB ARG 2 QB ARG 2 23.814 -25.776 5.077 27 QG ARG 2 QG ARG 2 22.625 -24.623 3.404 28 QD ARG 2 QD ARG 2 24.094 -26.135 2.093 29 QH1 ARG 2 QH1 ARG 2 24.175 -23.356 -1.407 30 QH2 ARG 2 QH2 ARG 2 25.791 -25.846 -0.248 31 H SER 3 H SER 3 24.428 -22.468 3.348 32 HA SER 3 HA SER 3 24.824 -20.644 5.535 33 1HB SER 3 1HB SER 3 24.451 -18.891 3.904 34 2HB SER 3 2HB SER 3 25.514 -20.084 3.181 35 HG SER 3 HG SER 3 23.611 -19.260 1.865 36 QB SER 3 QB SER 3 24.982 -19.487 3.542 37 H LEU 4 H LEU 4 22.727 -18.753 4.855 38 HA LEU 4 HA LEU 4 20.287 -20.294 5.306 39 1HB LEU 4 1HB LEU 4 21.497 -18.248 7.130 40 2HB LEU 4 2HB LEU 4 19.754 -18.395 7.023 41 HG LEU 4 HG LEU 4 21.556 -20.740 7.660 42 1HD1 LEU 4 1HD1 LEU 4 20.849 -18.472 9.335 43 2HD1 LEU 4 2HD1 LEU 4 20.272 -20.011 10.017 44 3HD1 LEU 4 3HD1 LEU 4 21.996 -19.801 9.627 45 1HD2 LEU 4 1HD2 LEU 4 18.988 -20.800 6.855 46 2HD2 LEU 4 2HD2 LEU 4 19.693 -21.974 7.993 47 3HD2 LEU 4 3HD2 LEU 4 18.749 -20.595 8.607 48 MD1 LEU 4 QD1 LEU 4 21.039 -19.428 9.660 49 MD2 LEU 4 QD2 LEU 4 19.144 -21.123 7.818 50 QB LEU 4 QB LEU 4 20.626 -18.322 7.077 51 QD LEU 4 QQD LEU 4 20.091 -20.275 8.739 52 H GLU 5 H GLU 5 18.335 -18.614 5.251 53 HA GLU 5 HA GLU 5 18.937 -16.864 2.996 54 1HB GLU 5 1HB GLU 5 17.376 -18.876 2.635 55 2HB GLU 5 2HB GLU 5 16.220 -18.062 3.670 56 1HG GLU 5 1HG GLU 5 15.547 -17.313 1.552 57 2HG GLU 5 2HG GLU 5 16.587 -16.000 2.067 58 QB GLU 5 QB GLU 5 16.798 -18.469 3.153 59 QG GLU 5 QG GLU 5 16.067 -16.657 1.809 60 H THR 6 H THR 6 17.842 -14.770 2.911 61 HA THR 6 HA THR 6 17.036 -13.863 5.594 62 HB THR 6 HB THR 6 17.861 -11.631 4.756 63 HG1 THR 6 HG1 THR 6 17.555 -11.996 2.488 64 1HG2 THR 6 1HG2 THR 6 19.471 -13.533 5.730 65 2HG2 THR 6 2HG2 THR 6 20.048 -13.606 4.047 66 3HG2 THR 6 3HG2 THR 6 20.168 -12.085 4.965 67 MG THR 6 QG2 THR 6 19.896 -13.075 4.914 68 H PHE 7 H PHE 7 15.797 -11.500 5.033 69 HA PHE 7 HA PHE 7 13.909 -11.757 2.942 70 1HB PHE 7 1HB PHE 7 13.298 -12.596 5.814 71 2HB PHE 7 2HB PHE 7 12.020 -11.861 4.867 72 HD1 PHE 7 HD1 PHE 7 13.375 -14.894 5.831 73 HD2 PHE 7 HD2 PHE 7 11.812 -12.948 2.398 74 HE1 PHE 7 HE1 PHE 7 12.853 -17.124 4.804 75 HE2 PHE 7 HE2 PHE 7 11.291 -15.177 1.371 76 HZ PHE 7 HZ PHE 7 11.817 -17.239 2.587 77 QB PHE 7 QB PHE 7 12.659 -12.229 5.341 78 QD PHE 7 QD PHE 7 12.594 -13.921 4.115 79 QE PHE 7 QE PHE 7 12.072 -16.151 3.088 80 QR PHE 7 QR PHE 7 12.230 -15.477 3.398 81 H VAL 8 H VAL 8 11.856 -10.173 3.732 82 HA VAL 8 HA VAL 8 13.148 -7.841 4.963 83 HB VAL 8 HB VAL 8 12.907 -7.891 2.381 84 1HG1 VAL 8 1HG1 VAL 8 10.245 -8.387 3.027 85 2HG1 VAL 8 2HG1 VAL 8 10.263 -6.667 2.570 86 3HG1 VAL 8 3HG1 VAL 8 10.876 -7.894 1.438 87 1HG2 VAL 8 2HG2 VAL 8 12.662 -5.796 4.363 88 2HG2 VAL 8 3HG2 VAL 8 13.487 -5.774 2.786 89 3HG2 VAL 8 1HG2 VAL 8 11.757 -5.369 2.890 90 MG1 VAL 8 QG1 VAL 8 10.461 -7.649 2.345 91 MG2 VAL 8 QG2 VAL 8 12.635 -5.646 3.346 92 QG VAL 8 QQG VAL 8 11.548 -6.648 2.845 93 H GLY 9 H GLY 9 10.563 -6.339 4.455 94 1HA GLY 9 2HA GLY 9 9.323 -6.325 6.764 95 2HA GLY 9 1HA GLY 9 8.675 -7.824 6.129 96 QA GLY 9 QA GLY 9 8.999 -7.074 6.446 97 H ASP 10 H ASP 10 6.518 -6.942 6.036 98 HA ASP 10 HA ASP 10 6.080 -5.533 3.593 99 1HB ASP 10 1HB ASP 10 4.419 -6.978 5.636 100 2HB ASP 10 2HB ASP 10 3.599 -5.735 4.710 101 QB ASP 10 QB ASP 10 4.009 -6.356 5.173 102 H GLN 11 H GLN 11 3.870 -3.920 4.053 103 HA GLN 11 HA GLN 11 4.014 -2.420 6.399 104 1HB GLN 11 1HB GLN 11 6.175 -1.726 5.134 105 2HB GLN 11 2HB GLN 11 5.115 -0.915 4.000 106 1HG GLN 11 1HG GLN 11 4.053 0.246 6.072 107 2HG GLN 11 2HG GLN 11 5.429 -0.355 6.976 108 1HE2 GLN 11 1HE2 GLN 11 7.587 -0.044 5.693 109 2HE2 GLN 11 2HE2 GLN 11 7.877 1.558 5.104 110 QB GLN 11 QB GLN 11 5.645 -1.320 4.567 111 QG GLN 11 QG GLN 11 4.741 -0.054 6.524 112 QE GLN 11 QE2 GLN 11 7.732 0.757 5.399 113 H VAL 12 H VAL 12 2.145 -1.155 6.595 114 HA VAL 12 HA VAL 12 0.341 -1.331 4.314 115 HB VAL 12 HB VAL 12 -0.491 -0.264 6.964 116 1HG1 VAL 12 3HG1 VAL 12 -1.711 -2.132 4.909 117 2HG1 VAL 12 1HG1 VAL 12 -2.479 -1.714 6.459 118 3HG1 VAL 12 2HG1 VAL 12 -2.165 -0.446 5.250 119 1HG2 VAL 12 2HG2 VAL 12 0.370 -3.124 6.483 120 2HG2 VAL 12 3HG2 VAL 12 0.853 -2.024 7.796 121 3HG2 VAL 12 1HG2 VAL 12 -0.802 -2.677 7.745 122 MG1 VAL 12 QG1 VAL 12 -2.118 -1.431 5.539 123 MG2 VAL 12 QG2 VAL 12 0.140 -2.608 7.341 124 QG VAL 12 QQG VAL 12 -0.989 -2.019 6.440 125 H LEU 13 H LEU 13 -1.156 0.662 4.024 126 HA LEU 13 HA LEU 13 0.021 3.172 4.747 127 1HB LEU 13 1HB LEU 13 0.800 3.909 2.735 128 2HB LEU 13 2HB LEU 13 1.327 2.237 2.731 129 HG LEU 13 HG LEU 13 -1.177 2.143 1.506 130 1HD1 LEU 13 2HD1 LEU 13 -1.225 4.579 1.335 131 2HD1 LEU 13 3HD1 LEU 13 0.342 4.562 0.492 132 3HD1 LEU 13 1HD1 LEU 13 -1.088 3.823 -0.270 133 1HD2 LEU 13 2HD2 LEU 13 1.632 1.729 0.812 134 2HD2 LEU 13 3HD2 LEU 13 0.188 0.775 0.394 135 3HD2 LEU 13 1HD2 LEU 13 0.628 2.197 -0.581 136 MD1 LEU 13 QD1 LEU 13 -0.657 4.322 0.519 137 MD2 LEU 13 QD2 LEU 13 0.816 1.567 0.208 138 QB LEU 13 QB LEU 13 1.064 3.073 2.733 139 QD LEU 13 QQD LEU 13 0.079 2.944 0.364 140 H GLU 14 H GLU 14 -1.471 4.893 4.526 141 HA GLU 14 HA GLU 14 -4.149 3.922 3.993 142 1HB GLU 14 1HB GLU 14 -4.714 6.243 5.088 143 2HB GLU 14 2HB GLU 14 -4.155 4.929 6.104 144 1HG GLU 14 1HG GLU 14 -2.062 5.895 6.459 145 2HG GLU 14 2HG GLU 14 -2.044 6.701 4.904 146 QB GLU 14 QB GLU 14 -4.434 5.586 5.596 147 QG GLU 14 QG GLU 14 -2.053 6.298 5.681 148 H ILE 15 H ILE 15 -5.273 4.537 2.183 149 HA ILE 15 HA ILE 15 -4.140 6.781 0.661 150 HB ILE 15 HB ILE 15 -5.559 4.342 -0.411 151 1HG1 ILE 15 1HG1 ILE 15 -2.676 4.818 -0.965 152 2HG1 ILE 15 2HG1 ILE 15 -3.078 4.273 0.652 153 1HG2 ILE 15 2HG2 ILE 15 -4.920 6.915 -1.554 154 2HG2 ILE 15 3HG2 ILE 15 -4.056 5.616 -2.410 155 3HG2 ILE 15 1HG2 ILE 15 -5.828 5.552 -2.251 156 1HD1 ILE 15 1HD1 ILE 15 -4.609 2.761 -1.321 157 2HD1 ILE 15 2HD1 ILE 15 -2.867 2.678 -1.675 158 3HD1 ILE 15 3HD1 ILE 15 -3.477 2.168 -0.083 159 MG ILE 15 QG2 ILE 15 -4.935 6.028 -2.072 160 MD ILE 15 QD1 ILE 15 -3.651 2.536 -1.026 161 QG ILE 15 QG1 ILE 15 -2.877 4.546 -0.157 162 H VAL 16 H VAL 16 -5.594 8.295 -0.252 163 HA VAL 16 HA VAL 16 -8.376 7.972 0.628 164 HB VAL 16 HB VAL 16 -6.729 10.507 0.727 165 1HG1 VAL 16 1HG1 VAL 16 -9.617 9.905 1.035 166 2HG1 VAL 16 2HG1 VAL 16 -8.914 10.979 2.268 167 3HG1 VAL 16 3HG1 VAL 16 -8.800 11.408 0.544 168 1HG2 VAL 16 3HG2 VAL 16 -6.615 8.382 2.506 169 2HG2 VAL 16 1HG2 VAL 16 -6.153 10.066 2.848 170 3HG2 VAL 16 2HG2 VAL 16 -7.785 9.490 3.262 171 MG1 VAL 16 QG1 VAL 16 -9.110 10.764 1.283 172 MG2 VAL 16 QG2 VAL 16 -6.851 9.313 2.872 173 QG VAL 16 QQG VAL 16 -7.980 10.038 2.077 174 HA PRO 17 HA PRO 17 -8.453 8.688 -3.759 175 1HB PRO 17 1HB PRO 17 -10.673 7.181 -4.276 176 2HB PRO 17 2HB PRO 17 -9.044 6.535 -4.320 177 1HG PRO 17 1HG PRO 17 -11.130 6.167 -2.256 178 2HG PRO 17 2HG PRO 17 -9.684 5.217 -2.538 179 1HD PRO 17 1HD PRO 17 -10.082 7.162 -0.468 180 2HD PRO 17 2HD PRO 17 -8.600 6.296 -0.822 181 QB PRO 17 QB PRO 17 -9.859 6.858 -4.298 182 QG PRO 17 QG PRO 17 -10.407 5.692 -2.397 183 QD PRO 17 QD PRO 17 -9.341 6.729 -0.645 184 H SER 18 H SER 18 -10.547 9.187 -5.281 185 HA SER 18 HA SER 18 -12.629 10.469 -4.042 186 1HB SER 18 1HB SER 18 -11.026 12.097 -3.178 187 2HB SER 18 2HB SER 18 -10.324 12.327 -4.767 188 HG SER 18 HG SER 18 -11.711 14.022 -4.652 189 QB SER 18 QB SER 18 -10.675 12.212 -3.972 190 H ASN 19 H ASN 19 -10.288 10.336 -6.749 191 HA ASN 19 HA ASN 19 -12.434 11.057 -8.565 192 1HB ASN 19 1HB ASN 19 -9.422 11.108 -8.675 193 2HB ASN 19 2HB ASN 19 -10.251 10.800 -10.189 194 1HD2 ASN 19 1HD2 ASN 19 -8.984 13.128 -8.283 195 2HD2 ASN 19 2HD2 ASN 19 -9.876 14.522 -8.795 196 QB ASN 19 QB ASN 19 -9.837 10.954 -9.432 197 QD ASN 19 QD2 ASN 19 -9.430 13.825 -8.539 198 H GLU 20 H GLU 20 -12.812 9.626 -10.477 199 HA GLU 20 HA GLU 20 -12.756 6.927 -9.772 200 1HB GLU 20 1HB GLU 20 -13.455 8.442 -12.303 201 2HB GLU 20 2HB GLU 20 -13.457 6.691 -12.293 202 1HG GLU 20 1HG GLU 20 -15.497 6.683 -11.310 203 2HG GLU 20 2HG GLU 20 -14.847 7.540 -9.926 204 QB GLU 20 QB GLU 20 -13.456 7.566 -12.298 205 QG GLU 20 QG GLU 20 -15.172 7.111 -10.618 206 H GLU 21 H GLU 21 -10.690 8.997 -11.848 207 HA GLU 21 HA GLU 21 -9.330 6.960 -13.121 208 1HB GLU 21 1HB GLU 21 -9.022 9.094 -14.045 209 2HB GLU 21 2HB GLU 21 -8.742 9.850 -12.489 210 1HG GLU 21 1HG GLU 21 -6.501 9.235 -12.424 211 2HG GLU 21 2HG GLU 21 -6.766 7.747 -13.313 212 QB GLU 21 QB GLU 21 -8.882 9.472 -13.267 213 QG GLU 21 QG GLU 21 -6.634 8.491 -12.869 214 H GLN 22 H GLN 22 -8.703 8.670 -10.001 215 HA GLN 22 HA GLN 22 -6.273 7.401 -9.520 216 1HB GLN 22 1HB GLN 22 -8.248 8.997 -7.928 217 2HB GLN 22 2HB GLN 22 -7.112 8.026 -7.012 218 1HG GLN 22 1HG GLN 22 -5.745 9.855 -7.256 219 2HG GLN 22 2HG GLN 22 -5.384 9.132 -8.811 220 1HE2 GLN 22 1HE2 GLN 22 -6.407 11.861 -7.229 221 2HE2 GLN 22 2HE2 GLN 22 -7.111 12.751 -8.537 222 QB GLN 22 QB GLN 22 -7.680 8.511 -7.470 223 QG GLN 22 QG GLN 22 -5.565 9.493 -8.033 224 QE GLN 22 QE2 GLN 22 -6.759 12.306 -7.883 225 H ILE 23 H ILE 23 -9.683 6.591 -8.712 226 HA ILE 23 HA ILE 23 -8.980 4.381 -7.072 227 HB ILE 23 HB ILE 23 -11.473 5.537 -8.224 228 1HG1 ILE 23 1HG1 ILE 23 -10.621 4.758 -5.419 229 2HG1 ILE 23 2HG1 ILE 23 -10.554 6.370 -6.100 230 1HG2 ILE 23 1HG2 ILE 23 -11.257 2.739 -7.085 231 2HG2 ILE 23 2HG2 ILE 23 -12.780 3.644 -7.264 232 3HG2 ILE 23 3HG2 ILE 23 -11.827 3.214 -8.704 233 1HD1 ILE 23 3HD1 ILE 23 -13.125 5.984 -6.604 234 2HD1 ILE 23 1HD1 ILE 23 -12.979 4.728 -5.353 235 3HD1 ILE 23 2HD1 ILE 23 -12.604 6.423 -4.961 236 MG ILE 23 QG2 ILE 23 -11.955 3.199 -7.684 237 MD ILE 23 QD1 ILE 23 -12.903 5.712 -5.639 238 QG ILE 23 QG1 ILE 23 -10.588 5.564 -5.759 239 H LYS 24 H LYS 24 -9.700 4.900 -10.539 240 HA LYS 24 HA LYS 24 -9.911 2.152 -11.158 241 1HB LYS 24 1HB LYS 24 -10.924 3.461 -12.743 242 2HB LYS 24 2HB LYS 24 -9.709 4.720 -12.662 243 1HG LYS 24 1HG LYS 24 -8.074 3.196 -13.813 244 2HG LYS 24 2HG LYS 24 -9.316 1.964 -13.921 245 1HD LYS 24 1HD LYS 24 -10.457 4.387 -14.959 246 2HD LYS 24 2HD LYS 24 -8.863 4.230 -15.670 247 1HE LYS 24 1HE LYS 24 -9.569 1.717 -16.096 248 2HE LYS 24 2HE LYS 24 -11.201 2.303 -15.843 249 1HZ LYS 24 1HZ LYS 24 -9.565 3.864 -17.626 250 2HZ LYS 24 2HZ LYS 24 -9.994 2.385 -18.168 251 3HZ LYS 24 3HZ LYS 24 -11.144 3.463 -17.742 252 QB LYS 24 QB LYS 24 -10.317 4.091 -12.702 253 QD LYS 24 QD LYS 24 -9.660 4.309 -15.314 254 QG LYS 24 QG LYS 24 -8.695 2.580 -13.867 255 QE LYS 24 QE LYS 24 -10.385 2.010 -15.970 256 QZ LYS 24 QZ LYS 24 -10.235 3.238 -17.846 257 H ASN 25 H ASN 25 -7.267 4.198 -10.286 258 HA ASN 25 HA ASN 25 -5.309 2.924 -11.843 259 1HB ASN 25 1HB ASN 25 -5.314 5.219 -10.441 260 2HB ASN 25 2HB ASN 25 -4.684 4.197 -9.163 261 1HD2 ASN 25 1HD2 ASN 25 -4.262 4.707 -12.666 262 2HD2 ASN 25 2HD2 ASN 25 -2.530 4.659 -12.688 263 QB ASN 25 QB ASN 25 -4.999 4.708 -9.802 264 QD ASN 25 QD2 ASN 25 -3.396 4.683 -12.677 265 H LEU 26 H LEU 26 -6.187 2.823 -8.301 266 HA LEU 26 HA LEU 26 -4.460 0.855 -7.511 267 1HB LEU 26 1HB LEU 26 -6.231 2.373 -6.272 268 2HB LEU 26 2HB LEU 26 -7.228 0.938 -6.395 269 HG LEU 26 HG LEU 26 -4.940 -0.152 -5.405 270 1HD1 LEU 26 3HD1 LEU 26 -4.276 2.464 -5.249 271 2HD1 LEU 26 1HD1 LEU 26 -5.051 2.237 -3.663 272 3HD1 LEU 26 2HD1 LEU 26 -3.674 1.212 -4.135 273 1HD2 LEU 26 2HD2 LEU 26 -7.292 1.034 -3.916 274 2HD2 LEU 26 3HD2 LEU 26 -7.097 -0.632 -4.511 275 3HD2 LEU 26 1HD2 LEU 26 -6.083 -0.040 -3.173 276 MD1 LEU 26 QD1 LEU 26 -4.334 1.971 -4.349 277 MD2 LEU 26 QD2 LEU 26 -6.824 0.121 -3.867 278 QB LEU 26 QB LEU 26 -6.730 1.656 -6.334 279 QD LEU 26 QQD LEU 26 -5.579 1.046 -4.108 280 H LEU 27 H LEU 27 -7.937 0.361 -8.465 281 HA LEU 27 HA LEU 27 -8.023 -2.328 -8.400 282 1HB LEU 27 1HB LEU 27 -9.336 -0.239 -10.054 283 2HB LEU 27 2HB LEU 27 -9.513 -1.900 -10.586 284 HG LEU 27 HG LEU 27 -10.032 -1.741 -7.752 285 1HD1 LEU 27 3HD1 LEU 27 -10.628 0.672 -8.806 286 2HD1 LEU 27 1HD1 LEU 27 -12.147 -0.195 -9.133 287 3HD1 LEU 27 2HD1 LEU 27 -11.529 -0.079 -7.467 288 1HD2 LEU 27 3HD2 LEU 27 -10.788 -3.354 -9.715 289 2HD2 LEU 27 1HD2 LEU 27 -11.782 -3.114 -8.259 290 3HD2 LEU 27 2HD2 LEU 27 -12.181 -2.247 -9.762 291 MD1 LEU 27 QD1 LEU 27 -11.435 0.133 -8.469 292 MD2 LEU 27 QD2 LEU 27 -11.583 -2.905 -9.246 293 QB LEU 27 QB LEU 27 -9.424 -1.069 -10.320 294 QD LEU 27 QQD LEU 27 -11.509 -1.386 -8.857 295 H GLN 28 H GLN 28 -6.834 -0.324 -11.182 296 HA GLN 28 HA GLN 28 -6.225 -2.442 -12.813 297 1HB GLN 28 1HB GLN 28 -6.169 0.213 -13.131 298 2HB GLN 28 2HB GLN 28 -4.461 0.004 -12.799 299 1HG GLN 28 1HG GLN 28 -5.274 -2.054 -14.663 300 2HG GLN 28 2HG GLN 28 -5.872 -0.517 -15.255 301 1HE2 GLN 28 1HE2 GLN 28 -4.411 1.229 -15.562 302 2HE2 GLN 28 2HE2 GLN 28 -2.733 0.956 -15.889 303 QB GLN 28 QB GLN 28 -5.315 0.108 -12.965 304 QG GLN 28 QG GLN 28 -5.573 -1.285 -14.959 305 QE GLN 28 QE2 GLN 28 -3.572 1.092 -15.725 306 H LEU 29 H LEU 29 -4.377 -0.935 -10.134 307 HA LEU 29 HA LEU 29 -1.955 -2.265 -10.679 308 1HB LEU 29 1HB LEU 29 -1.779 -0.358 -9.387 309 2HB LEU 29 2HB LEU 29 -3.132 -0.788 -8.359 310 HG LEU 29 HG LEU 29 -1.709 -2.640 -7.398 311 1HD1 LEU 29 2HD1 LEU 29 0.275 -1.411 -9.266 312 2HD1 LEU 29 3HD1 LEU 29 0.843 -2.025 -7.695 313 3HD1 LEU 29 1HD1 LEU 29 0.011 -3.117 -8.829 314 1HD2 LEU 29 3HD2 LEU 29 -1.365 0.271 -7.013 315 2HD2 LEU 29 1HD2 LEU 29 -1.800 -1.006 -5.853 316 3HD2 LEU 29 2HD2 LEU 29 -0.097 -0.757 -6.306 317 MD1 LEU 29 QD1 LEU 29 0.376 -2.184 -8.597 318 MD2 LEU 29 QD2 LEU 29 -1.087 -0.497 -6.391 319 QB LEU 29 QB LEU 29 -2.455 -0.573 -8.873 320 QD LEU 29 QQD LEU 29 -0.355 -1.341 -7.494 321 H GLU 30 H GLU 30 -4.429 -2.876 -8.080 322 HA GLU 30 HA GLU 30 -3.368 -5.232 -7.238 323 1HB GLU 30 1HB GLU 30 -5.418 -3.750 -6.408 324 2HB GLU 30 2HB GLU 30 -6.367 -4.893 -7.339 325 1HG GLU 30 1HG GLU 30 -4.333 -5.730 -5.220 326 2HG GLU 30 2HG GLU 30 -6.038 -5.511 -4.885 327 QB GLU 30 QB GLU 30 -5.892 -4.321 -6.873 328 QG GLU 30 QG GLU 30 -5.186 -5.620 -5.053 329 H ALA 31 H ALA 31 -5.069 -4.507 -10.215 330 HA ALA 31 HA ALA 31 -6.062 -7.080 -10.764 331 1HB ALA 31 2HB ALA 31 -5.493 -5.810 -13.203 332 2HB ALA 31 3HB ALA 31 -7.025 -5.747 -12.301 333 3HB ALA 31 1HB ALA 31 -5.799 -4.479 -12.062 334 MB ALA 31 QB ALA 31 -6.105 -5.345 -12.522 335 H GLN 32 H GLN 32 -2.938 -5.408 -11.437 336 HA GLN 32 HA GLN 32 -1.848 -7.225 -13.127 337 1HB GLN 32 1HB GLN 32 -0.773 -5.274 -11.125 338 2HB GLN 32 2HB GLN 32 0.357 -6.475 -11.719 339 1HG GLN 32 1HG GLN 32 -1.369 -4.757 -13.561 340 2HG GLN 32 2HG GLN 32 0.251 -4.303 -13.069 341 1HE2 GLN 32 1HE2 GLN 32 1.775 -4.789 -14.436 342 2HE2 GLN 32 2HE2 GLN 32 1.814 -6.116 -15.548 343 QB GLN 32 QB GLN 32 -0.208 -5.875 -11.422 344 QG GLN 32 QG GLN 32 -0.559 -4.530 -13.315 345 QE GLN 32 QE2 GLN 32 1.795 -5.452 -14.992 346 H GLU 33 H GLU 33 -2.302 -9.412 -12.699 347 HA GLU 33 HA GLU 33 -2.399 -10.709 -10.405 348 1HB GLU 33 1HB GLU 33 -2.031 -12.706 -11.610 349 2HB GLU 33 2HB GLU 33 -2.579 -11.585 -12.841 350 1HG GLU 33 1HG GLU 33 -0.190 -11.103 -13.448 351 2HG GLU 33 2HG GLU 33 0.342 -12.253 -12.237 352 QB GLU 33 QB GLU 33 -2.305 -12.146 -12.225 353 QG GLU 33 QG GLU 33 0.076 -11.678 -12.842 354 H HIS 34 H HIS 34 0.645 -9.868 -12.163 355 HA HIS 34 HA HIS 34 2.491 -11.196 -10.763 356 1HB HIS 34 1HB HIS 34 2.854 -8.261 -11.352 357 2HB HIS 34 2HB HIS 34 4.051 -9.540 -11.393 358 HD1 HIS 34 HD1 HIS 34 3.466 -11.484 -13.352 359 HD2 HIS 34 HD2 HIS 34 1.890 -7.624 -13.824 360 HE1 HIS 34 HE1 HIS 34 2.854 -11.258 -15.819 361 HE2 HIS 34 HE2 HIS 34 1.841 -8.887 -16.037 362 QB HIS 34 QB HIS 34 3.452 -8.901 -11.373 363 H LEU 35 H LEU 35 0.917 -8.097 -9.736 364 HA LEU 35 HA LEU 35 2.255 -8.249 -7.185 365 1HB LEU 35 1HB LEU 35 0.521 -6.290 -8.617 366 2HB LEU 35 2HB LEU 35 0.589 -6.212 -6.868 367 HG LEU 35 HG LEU 35 2.985 -6.046 -8.718 368 1HD1 LEU 35 3HD1 LEU 35 1.367 -3.917 -7.314 369 2HD1 LEU 35 1HD1 LEU 35 3.035 -3.647 -7.874 370 3HD1 LEU 35 2HD1 LEU 35 1.759 -4.059 -9.045 371 1HD2 LEU 35 2HD2 LEU 35 2.737 -5.832 -5.711 372 2HD2 LEU 35 3HD2 LEU 35 3.710 -6.983 -6.658 373 3HD2 LEU 35 1HD2 LEU 35 4.151 -5.259 -6.627 374 MD1 LEU 35 QD1 LEU 35 2.054 -3.875 -8.078 375 MD2 LEU 35 QD2 LEU 35 3.533 -6.025 -6.332 376 QB LEU 35 QB LEU 35 0.555 -6.251 -7.743 377 QD LEU 35 QQD LEU 35 2.793 -4.950 -7.205 378 H GLN 36 H GLN 36 -1.159 -7.299 -7.446 379 HA GLN 36 HA GLN 36 -3.007 -8.261 -6.752 380 1HB GLN 36 1HB GLN 36 -1.741 -10.504 -7.431 381 2HB GLN 36 2HB GLN 36 -1.639 -10.738 -5.697 382 1HG GLN 36 1HG GLN 36 -4.142 -10.401 -5.545 383 2HG GLN 36 2HG GLN 36 -4.204 -10.285 -7.293 384 1HE2 GLN 36 1HE2 GLN 36 -5.398 -12.067 -7.675 385 2HE2 GLN 36 2HE2 GLN 36 -4.877 -13.694 -7.389 386 QB GLN 36 QB GLN 36 -1.690 -10.621 -6.564 387 QG GLN 36 QG GLN 36 -4.173 -10.343 -6.419 388 QE GLN 36 QE2 GLN 36 -5.137 -12.881 -7.532 389 H LEU 37 H LEU 37 -2.499 -6.391 -5.211 390 HA LEU 37 HA LEU 37 -1.604 -7.218 -2.591 391 1HB LEU 37 1HB LEU 37 -2.684 -4.500 -3.151 392 2HB LEU 37 2HB LEU 37 -1.361 -4.997 -2.115 393 HG LEU 37 HG LEU 37 -0.532 -5.646 -4.728 394 1HD1 LEU 37 3HD1 LEU 37 -2.311 -3.294 -4.703 395 2HD1 LEU 37 1HD1 LEU 37 -0.721 -3.030 -5.459 396 3HD1 LEU 37 2HD1 LEU 37 -1.782 -4.332 -6.049 397 1HD2 LEU 37 2HD2 LEU 37 0.707 -4.745 -2.649 398 2HD2 LEU 37 3HD2 LEU 37 1.276 -4.259 -4.264 399 3HD2 LEU 37 1HD2 LEU 37 0.298 -3.136 -3.288 400 MD1 LEU 37 QD1 LEU 37 -1.605 -3.552 -5.404 401 MD2 LEU 37 QD2 LEU 37 0.760 -4.047 -3.400 402 QB LEU 37 QB LEU 37 -2.022 -4.749 -2.633 403 QD LEU 37 QQD LEU 37 -0.422 -3.799 -4.402 404 H ASP 38 H ASP 38 -2.918 -6.820 -0.635 405 HA ASP 38 HA ASP 38 -5.683 -7.446 -1.244 406 1HB ASP 38 1HB ASP 38 -3.801 -7.998 1.031 407 2HB ASP 38 2HB ASP 38 -5.488 -7.793 1.454 408 QB ASP 38 QB ASP 38 -4.644 -7.895 1.243 409 H PHE 39 H PHE 39 -7.138 -5.739 -1.038 410 HA PHE 39 HA PHE 39 -6.281 -3.398 0.445 411 1HB PHE 39 1HB PHE 39 -8.703 -4.103 -1.320 412 2HB PHE 39 2HB PHE 39 -8.425 -2.503 -0.661 413 HD1 PHE 39 HD1 PHE 39 -8.544 -3.734 -3.623 414 HD2 PHE 39 HD2 PHE 39 -5.466 -2.293 -1.081 415 HE1 PHE 39 HE1 PHE 39 -7.158 -3.147 -5.632 416 HE2 PHE 39 HE2 PHE 39 -4.080 -1.708 -3.090 417 HZ PHE 39 HZ PHE 39 -4.944 -2.141 -5.341 418 QB PHE 39 QB PHE 39 -8.564 -3.303 -0.990 419 QD PHE 39 QD PHE 39 -7.005 -3.013 -2.352 420 QE PHE 39 QE PHE 39 -5.619 -2.428 -4.361 421 QR PHE 39 QR PHE 39 -6.038 -2.605 -3.754 422 H TRP 40 H TRP 40 -6.995 -2.905 2.470 423 HA TRP 40 HA TRP 40 -8.701 -4.720 3.821 424 1HB TRP 40 1HB TRP 40 -7.462 -2.071 4.548 425 2HB TRP 40 2HB TRP 40 -8.547 -2.921 5.630 426 HD1 TRP 40 HD1 TRP 40 -6.593 -5.534 3.915 427 HE1 TRP 40 HE1 TRP 40 -4.553 -6.436 5.324 428 HE3 TRP 40 HE3 TRP 40 -6.613 -1.767 7.330 429 HZ2 TRP 40 HZ2 TRP 40 -3.206 -5.493 7.657 430 HZ3 TRP 40 HZ3 TRP 40 -4.901 -1.833 9.141 431 HH2 TRP 40 HH2 TRP 40 -3.237 -3.613 9.337 432 QB TRP 40 QB TRP 40 -8.004 -2.496 5.089 433 H LYS 41 H LYS 41 -9.026 -1.159 3.107 434 HA LYS 41 HA LYS 41 -11.915 -1.492 3.273 435 1HB LYS 41 1HB LYS 41 -9.998 0.765 3.611 436 2HB LYS 41 2HB LYS 41 -11.578 1.158 2.962 437 1HG LYS 41 1HG LYS 41 -12.037 -0.666 5.117 438 2HG LYS 41 2HG LYS 41 -10.846 0.481 5.697 439 1HD LYS 41 1HD LYS 41 -12.547 1.938 6.063 440 2HD LYS 41 2HD LYS 41 -12.708 2.090 4.325 441 1HE LYS 41 1HE LYS 41 -14.118 -0.184 4.600 442 2HE LYS 41 2HE LYS 41 -14.315 0.398 6.240 443 1HZ LYS 41 1HZ LYS 41 -14.942 1.966 3.834 444 2HZ LYS 41 2HZ LYS 41 -16.042 1.184 4.754 445 3HZ LYS 41 3HZ LYS 41 -15.198 2.435 5.377 446 QB LYS 41 QB LYS 41 -10.788 0.961 3.287 447 QD LYS 41 QD LYS 41 -12.627 2.014 5.194 448 QG LYS 41 QG LYS 41 -11.442 -0.092 5.407 449 QE LYS 41 QE LYS 41 -14.217 0.107 5.420 450 QZ LYS 41 QZ LYS 41 -15.394 1.862 4.655 451 H SER 42 H SER 42 -12.777 -2.261 1.400 452 HA SER 42 HA SER 42 -11.755 -2.249 -1.035 453 1HB SER 42 1HB SER 42 -14.105 -2.280 -1.910 454 2HB SER 42 2HB SER 42 -13.871 -3.336 -0.531 455 HG SER 42 HG SER 42 -15.595 -1.230 -0.804 456 QB SER 42 QB SER 42 -13.988 -2.808 -1.221 457 HA PRO 43 HA PRO 43 -11.547 2.139 -1.742 458 1HB PRO 43 1HB PRO 43 -9.515 2.066 -3.568 459 2HB PRO 43 2HB PRO 43 -9.247 2.193 -1.842 460 1HG PRO 43 1HG PRO 43 -8.890 -0.153 -3.605 461 2HG PRO 43 2HG PRO 43 -8.241 0.124 -2.001 462 1HD PRO 43 1HD PRO 43 -10.455 -1.565 -2.688 463 2HD PRO 43 2HD PRO 43 -9.878 -1.198 -1.075 464 QB PRO 43 QB PRO 43 -9.381 2.130 -2.705 465 QG PRO 43 QG PRO 43 -8.565 -0.014 -2.803 466 QD PRO 43 QD PRO 43 -10.166 -1.381 -1.881 467 H THR 44 H THR 44 -12.751 -0.333 -3.458 468 HA THR 44 HA THR 44 -12.935 0.365 -6.042 469 HB THR 44 HB THR 44 -14.834 -0.828 -4.017 470 HG1 THR 44 HG1 THR 44 -14.202 -2.607 -5.286 471 1HG2 THR 44 1HG2 THR 44 -15.611 0.315 -6.670 472 2HG2 THR 44 2HG2 THR 44 -16.053 -1.391 -6.423 473 3HG2 THR 44 3HG2 THR 44 -16.641 -0.146 -5.294 474 MG THR 44 QG2 THR 44 -16.102 -0.407 -6.129 475 H THR 45 H THR 45 -14.285 2.173 -3.312 476 HA THR 45 HA THR 45 -15.158 4.195 -5.261 477 HB THR 45 HB THR 45 -17.224 4.479 -4.074 478 HG1 THR 45 HG1 THR 45 -16.383 4.397 -1.922 479 1HG2 THR 45 3HG2 THR 45 -16.800 2.046 -5.197 480 2HG2 THR 45 1HG2 THR 45 -16.959 1.531 -3.501 481 3HG2 THR 45 2HG2 THR 45 -18.289 2.410 -4.293 482 MG THR 45 QG2 THR 45 -17.349 1.996 -4.330 483 HA PRO 46 HA PRO 46 -12.891 6.919 -2.847 484 1HB PRO 46 1HB PRO 46 -14.115 9.304 -3.381 485 2HB PRO 46 2HB PRO 46 -12.971 8.547 -4.473 486 1HG PRO 46 1HG PRO 46 -15.915 8.713 -4.695 487 2HG PRO 46 2HG PRO 46 -14.738 8.354 -5.942 488 1HD PRO 46 1HD PRO 46 -16.436 6.477 -4.593 489 2HD PRO 46 2HD PRO 46 -15.180 6.106 -5.756 490 QB PRO 46 QB PRO 46 -13.543 8.926 -3.927 491 QG PRO 46 QG PRO 46 -15.327 8.534 -5.319 492 QD PRO 46 QD PRO 46 -15.808 6.291 -5.175 493 H GLY 47 H GLY 47 -12.902 8.637 -1.098 494 1HA GLY 47 2HA GLY 47 -15.352 8.593 0.470 495 2HA GLY 47 1HA GLY 47 -13.901 9.529 0.771 496 QA GLY 47 QA GLY 47 -14.627 9.061 0.621 497 H GLU 48 H GLU 48 -14.122 5.977 0.149 498 HA GLU 48 HA GLU 48 -13.613 5.491 2.942 499 1HB GLU 48 1HB GLU 48 -13.741 3.287 0.891 500 2HB GLU 48 2HB GLU 48 -14.306 3.289 2.550 501 1HG GLU 48 1HG GLU 48 -15.885 5.279 1.467 502 2HG GLU 48 2HG GLU 48 -15.683 4.229 0.078 503 QB GLU 48 QB GLU 48 -14.023 3.288 1.720 504 QG GLU 48 QG GLU 48 -15.784 4.754 0.772 505 H THR 49 H THR 49 -11.485 5.889 3.492 506 HA THR 49 HA THR 49 -9.314 5.688 1.791 507 HB THR 49 HB THR 49 -8.042 5.646 3.995 508 HG1 THR 49 HG1 THR 49 -9.406 5.426 5.871 509 1HG2 THR 49 1HG2 THR 49 -9.762 7.685 3.055 510 2HG2 THR 49 2HG2 THR 49 -10.208 7.485 4.766 511 3HG2 THR 49 3HG2 THR 49 -8.525 7.861 4.323 512 MG THR 49 QG2 THR 49 -9.498 7.677 4.048 513 H ALA 50 H ALA 50 -7.533 4.156 1.704 514 HA ALA 50 HA ALA 50 -8.515 1.415 2.127 515 1HB ALA 50 3HB ALA 50 -8.223 1.199 -0.094 516 2HB ALA 50 1HB ALA 50 -7.445 2.796 -0.210 517 3HB ALA 50 2HB ALA 50 -6.475 1.362 0.199 518 MB ALA 50 QB ALA 50 -7.381 1.786 -0.035 519 H HIS 51 H HIS 51 -6.889 -0.179 2.760 520 HA HIS 51 HA HIS 51 -4.350 0.896 3.619 521 1HB HIS 51 1HB HIS 51 -5.840 -0.628 5.708 522 2HB HIS 51 2HB HIS 51 -4.574 0.571 5.880 523 HD1 HIS 51 HD1 HIS 51 -8.104 0.171 6.382 524 HD2 HIS 51 HD2 HIS 51 -5.649 3.318 5.088 525 HE1 HIS 51 HE1 HIS 51 -9.459 2.310 6.693 526 HE2 HIS 51 HE2 HIS 51 -7.879 4.213 5.933 527 QB HIS 51 QB HIS 51 -5.207 -0.029 5.794 528 H VAL 52 H VAL 52 -3.331 -0.470 2.126 529 HA VAL 52 HA VAL 52 -3.823 -3.336 2.548 530 HB VAL 52 HB VAL 52 -4.318 -3.078 0.355 531 1HG1 VAL 52 2HG1 VAL 52 -2.347 -0.772 0.260 532 2HG1 VAL 52 3HG1 VAL 52 -3.226 -1.393 -1.158 533 3HG1 VAL 52 1HG1 VAL 52 -4.124 -0.688 0.208 534 1HG2 VAL 52 3HG2 VAL 52 -1.288 -3.266 0.316 535 2HG2 VAL 52 1HG2 VAL 52 -2.451 -4.612 0.386 536 3HG2 VAL 52 2HG2 VAL 52 -2.342 -3.604 -1.078 537 MG1 VAL 52 QG1 VAL 52 -3.233 -0.951 -0.230 538 MG2 VAL 52 QG2 VAL 52 -2.027 -3.827 -0.125 539 QG VAL 52 QQG VAL 52 -2.630 -2.389 -0.178 540 H ARG 53 H ARG 53 -2.038 -4.727 2.876 541 HA ARG 53 HA ARG 53 0.201 -3.352 3.990 542 1HB ARG 53 1HB ARG 53 0.910 -5.636 4.717 543 2HB ARG 53 2HB ARG 53 -0.749 -5.305 5.171 544 1HG ARG 53 1HG ARG 53 -1.052 -6.405 2.629 545 2HG ARG 53 2HG ARG 53 0.318 -7.301 3.253 546 1HD ARG 53 1HD ARG 53 -1.397 -7.296 5.445 547 2HD ARG 53 2HD ARG 53 -2.528 -7.370 4.109 548 HE ARG 53 HE ARG 53 -0.372 -9.238 3.669 549 1HH1 ARG 53 2HH1 ARG 53 -0.739 -11.475 3.953 550 2HH1 ARG 53 1HH1 ARG 53 -2.100 -12.019 4.877 551 1HH2 ARG 53 2HH2 ARG 53 -3.273 -8.779 5.608 552 2HH2 ARG 53 1HH2 ARG 53 -3.551 -10.475 5.824 553 QB ARG 53 QB ARG 53 0.081 -5.470 4.944 554 QG ARG 53 QG ARG 53 -0.367 -6.853 2.941 555 QD ARG 53 QD ARG 53 -1.962 -7.333 4.777 556 QH1 ARG 53 QH1 ARG 53 -1.419 -11.747 4.415 557 QH2 ARG 53 QH2 ARG 53 -3.412 -9.627 5.716 558 H VAL 54 H VAL 54 1.176 -2.443 2.038 559 HA VAL 54 HA VAL 54 1.961 -4.240 -0.062 560 HB VAL 54 HB VAL 54 1.279 -2.058 -0.677 561 1HG1 VAL 54 2HG1 VAL 54 3.165 -1.147 1.486 562 2HG1 VAL 54 3HG1 VAL 54 2.748 -0.061 0.140 563 3HG1 VAL 54 1HG1 VAL 54 1.467 -0.697 1.198 564 1HG2 VAL 54 2HG2 VAL 54 4.230 -2.590 -0.934 565 2HG2 VAL 54 3HG2 VAL 54 2.949 -2.683 -2.166 566 3HG2 VAL 54 1HG2 VAL 54 3.528 -1.097 -1.602 567 MG1 VAL 54 QG1 VAL 54 2.460 -0.635 0.941 568 MG2 VAL 54 QG2 VAL 54 3.569 -2.123 -1.567 569 QG VAL 54 QQG VAL 54 3.015 -1.379 -0.313 570 HA PRO 55 HA PRO 55 5.813 -5.232 1.641 571 1HB PRO 55 1HB PRO 55 7.081 -6.199 -0.578 572 2HB PRO 55 2HB PRO 55 5.953 -7.147 0.371 573 1HG PRO 55 1HG PRO 55 5.549 -5.879 -2.269 574 2HG PRO 55 2HG PRO 55 4.618 -7.156 -1.510 575 1HD PRO 55 1HD PRO 55 3.880 -4.392 -1.731 576 2HD PRO 55 2HD PRO 55 3.006 -5.646 -0.873 577 QB PRO 55 QB PRO 55 6.517 -6.673 -0.104 578 QG PRO 55 QG PRO 55 5.084 -6.517 -1.889 579 QD PRO 55 QD PRO 55 3.443 -5.019 -1.302 580 H PHE 56 H PHE 56 7.451 -4.045 2.385 581 HA PHE 56 HA PHE 56 7.974 -1.568 1.589 582 1HB PHE 56 1HB PHE 56 9.044 -3.323 3.356 583 2HB PHE 56 2HB PHE 56 10.294 -3.470 2.137 584 HD1 PHE 56 HD1 PHE 56 8.624 -1.095 4.420 585 HD2 PHE 56 HD2 PHE 56 11.936 -1.777 1.856 586 HE1 PHE 56 HE1 PHE 56 9.748 0.957 5.326 587 HE2 PHE 56 HE2 PHE 56 13.060 0.275 2.763 588 HZ PHE 56 HZ PHE 56 11.953 1.619 4.487 589 QB PHE 56 QB PHE 56 9.669 -3.396 2.747 590 QD PHE 56 QD PHE 56 10.280 -1.436 3.138 591 QE PHE 56 QE PHE 56 11.404 0.616 4.044 592 QR PHE 56 QR PHE 56 11.064 -0.004 3.770 593 H VAL 57 H VAL 57 9.004 -4.535 -0.095 594 HA VAL 57 HA VAL 57 10.948 -3.311 -1.724 595 HB VAL 57 HB VAL 57 10.341 -5.817 -1.145 596 1HG1 VAL 57 3HG1 VAL 57 8.849 -5.322 -3.742 597 2HG1 VAL 57 1HG1 VAL 57 9.295 -6.931 -3.125 598 3HG1 VAL 57 2HG1 VAL 57 8.174 -5.903 -2.201 599 1HG2 VAL 57 1HG2 VAL 57 11.722 -4.587 -3.486 600 2HG2 VAL 57 2HG2 VAL 57 12.364 -5.615 -2.183 601 3HG2 VAL 57 3HG2 VAL 57 11.453 -6.345 -3.526 602 MG1 VAL 57 QG1 VAL 57 8.772 -6.052 -3.022 603 MG2 VAL 57 QG2 VAL 57 11.846 -5.516 -3.065 604 QG VAL 57 QQG VAL 57 10.309 -5.784 -3.044 605 H ASN 58 H ASN 58 7.448 -4.120 -2.229 606 HA ASN 58 HA ASN 58 7.474 -2.854 -4.764 607 1HB ASN 58 1HB ASN 58 5.924 -4.787 -3.891 608 2HB ASN 58 2HB ASN 58 4.994 -3.520 -3.115 609 1HD2 ASN 58 1HD2 ASN 58 3.184 -3.527 -4.276 610 2HD2 ASN 58 2HD2 ASN 58 3.063 -3.209 -5.975 611 QB ASN 58 QB ASN 58 5.459 -4.153 -3.503 612 QD ASN 58 QD2 ASN 58 3.123 -3.368 -5.125 613 H VAL 59 H VAL 59 6.914 -1.987 -1.387 614 HA VAL 59 HA VAL 59 5.156 0.029 -1.393 615 HB VAL 59 HB VAL 59 7.755 -0.433 0.007 616 1HG1 VAL 59 1HG1 VAL 59 7.718 1.995 -0.273 617 2HG1 VAL 59 2HG1 VAL 59 6.055 2.061 0.361 618 3HG1 VAL 59 3HG1 VAL 59 7.393 1.557 1.422 619 1HG2 VAL 59 1HG2 VAL 59 5.773 -1.699 0.680 620 2HG2 VAL 59 2HG2 VAL 59 6.277 -0.586 1.973 621 3HG2 VAL 59 3HG2 VAL 59 4.877 -0.185 0.949 622 MG1 VAL 59 QG1 VAL 59 7.055 1.871 0.504 623 MG2 VAL 59 QG2 VAL 59 5.642 -0.823 1.201 624 QG VAL 59 QQG VAL 59 6.349 0.524 0.852 625 H GLN 60 H GLN 60 8.556 0.175 -2.599 626 HA GLN 60 HA GLN 60 8.531 2.897 -3.111 627 1HB GLN 60 1HB GLN 60 10.495 1.168 -3.074 628 2HB GLN 60 2HB GLN 60 10.104 0.892 -4.759 629 1HG GLN 60 1HG GLN 60 11.160 2.800 -5.380 630 2HG GLN 60 2HG GLN 60 10.181 3.753 -4.283 631 1HE2 GLN 60 1HE2 GLN 60 11.053 4.586 -2.517 632 2HE2 GLN 60 2HE2 GLN 60 12.638 4.257 -1.900 633 QB GLN 60 QB GLN 60 10.299 1.030 -3.917 634 QG GLN 60 QG GLN 60 10.671 3.277 -4.832 635 QE GLN 60 QE2 GLN 60 11.845 4.421 -2.208 636 H ALA 61 H ALA 61 8.413 0.233 -5.592 637 HA ALA 61 HA ALA 61 7.673 1.733 -7.725 638 1HB ALA 61 1HB ALA 61 6.242 -0.803 -7.691 639 2HB ALA 61 2HB ALA 61 7.639 -0.306 -8.676 640 3HB ALA 61 3HB ALA 61 7.892 -0.994 -7.055 641 MB ALA 61 QB ALA 61 7.258 -0.701 -7.807 642 H VAL 62 H VAL 62 5.706 0.716 -4.942 643 HA VAL 62 HA VAL 62 3.231 1.415 -6.193 644 HB VAL 62 HB VAL 62 3.985 0.852 -3.318 645 1HG1 VAL 62 2HG1 VAL 62 1.423 1.609 -4.611 646 2HG1 VAL 62 3HG1 VAL 62 1.352 0.244 -3.471 647 3HG1 VAL 62 1HG1 VAL 62 1.972 1.822 -2.932 648 1HG2 VAL 62 3HG2 VAL 62 3.746 -0.865 -5.588 649 2HG2 VAL 62 1HG2 VAL 62 4.045 -1.301 -3.888 650 3HG2 VAL 62 2HG2 VAL 62 2.377 -1.194 -4.498 651 MG1 VAL 62 QG1 VAL 62 1.582 1.225 -3.671 652 MG2 VAL 62 QG2 VAL 62 3.389 -1.120 -4.658 653 QG VAL 62 QQG VAL 62 2.486 0.052 -4.165 654 H LYS 63 H LYS 63 5.598 2.940 -3.953 655 HA LYS 63 HA LYS 63 4.034 5.168 -3.328 656 1HB LYS 63 1HB LYS 63 5.784 4.958 -1.885 657 2HB LYS 63 2HB LYS 63 6.892 4.383 -3.115 658 1HG LYS 63 1HG LYS 63 7.293 6.595 -3.955 659 2HG LYS 63 2HG LYS 63 5.887 7.252 -3.143 660 1HD LYS 63 1HD LYS 63 8.128 6.008 -1.518 661 2HD LYS 63 2HD LYS 63 8.288 7.649 -2.114 662 1HE LYS 63 1HE LYS 63 5.708 7.650 -1.039 663 2HE LYS 63 2HE LYS 63 6.576 6.599 0.064 664 1HZ LYS 63 3HZ LYS 63 7.956 9.005 -0.691 665 2HZ LYS 63 1HZ LYS 63 6.619 9.226 0.221 666 3HZ LYS 63 2HZ LYS 63 7.836 8.286 0.771 667 QB LYS 63 QB LYS 63 6.338 4.670 -2.500 668 QD LYS 63 QD LYS 63 8.208 6.829 -1.816 669 QG LYS 63 QG LYS 63 6.590 6.924 -3.549 670 QE LYS 63 QE LYS 63 6.142 7.125 -0.487 671 QZ LYS 63 QZ LYS 63 7.470 8.839 0.100 672 H VAL 64 H VAL 64 6.053 4.328 -6.139 673 HA VAL 64 HA VAL 64 6.038 6.992 -7.172 674 HB VAL 64 HB VAL 64 6.887 4.282 -8.151 675 1HG1 VAL 64 3HG1 VAL 64 6.123 6.566 -9.804 676 2HG1 VAL 64 1HG1 VAL 64 7.820 6.089 -10.051 677 3HG1 VAL 64 2HG1 VAL 64 6.519 4.895 -10.274 678 1HG2 VAL 64 3HG2 VAL 64 8.315 5.582 -6.563 679 2HG2 VAL 64 1HG2 VAL 64 9.100 5.245 -8.126 680 3HG2 VAL 64 2HG2 VAL 64 8.442 6.864 -7.791 681 MG1 VAL 64 QG1 VAL 64 6.821 5.850 -10.043 682 MG2 VAL 64 QG2 VAL 64 8.619 5.897 -7.493 683 QG VAL 64 QQG VAL 64 7.720 5.873 -8.768 684 H PHE 65 H PHE 65 4.034 4.053 -7.430 685 HA PHE 65 HA PHE 65 2.626 4.801 -9.725 686 1HB PHE 65 1HB PHE 65 2.781 2.547 -8.418 687 2HB PHE 65 2HB PHE 65 1.663 3.239 -7.259 688 HD1 PHE 65 HD1 PHE 65 1.835 3.042 -10.993 689 HD2 PHE 65 HD2 PHE 65 -0.478 2.447 -7.486 690 HE1 PHE 65 HE1 PHE 65 -0.097 2.271 -12.398 691 HE2 PHE 65 HE2 PHE 65 -2.410 1.676 -8.890 692 HZ PHE 65 HZ PHE 65 -2.197 1.597 -11.330 693 QB PHE 65 QB PHE 65 2.222 2.893 -7.839 694 QD PHE 65 QD PHE 65 0.679 2.744 -9.240 695 QE PHE 65 QE PHE 65 -1.254 1.974 -10.644 696 QR PHE 65 QR PHE 65 -0.669 2.206 -10.219 697 H LEU 66 H LEU 66 1.715 5.066 -6.211 698 HA LEU 66 HA LEU 66 -0.686 6.290 -6.496 699 1HB LEU 66 1HB LEU 66 1.481 6.555 -4.431 700 2HB LEU 66 2HB LEU 66 -0.022 7.446 -4.287 701 HG LEU 66 HG LEU 66 -0.400 4.573 -4.805 702 1HD1 LEU 66 3HD1 LEU 66 1.730 4.793 -3.325 703 2HD1 LEU 66 1HD1 LEU 66 0.577 5.240 -2.044 704 3HD1 LEU 66 2HD1 LEU 66 0.440 3.661 -2.854 705 1HD2 LEU 66 2HD2 LEU 66 -1.507 6.611 -2.868 706 2HD2 LEU 66 3HD2 LEU 66 -2.308 5.851 -4.264 707 3HD2 LEU 66 1HD2 LEU 66 -1.945 4.887 -2.813 708 MD1 LEU 66 QD1 LEU 66 0.916 4.565 -2.741 709 MD2 LEU 66 QD2 LEU 66 -1.920 5.783 -3.315 710 QB LEU 66 QB LEU 66 0.729 7.001 -4.359 711 QD LEU 66 QQD LEU 66 -0.502 5.174 -3.028 712 H GLU 67 H GLU 67 2.531 7.962 -6.249 713 HA GLU 67 HA GLU 67 1.533 10.491 -6.605 714 1HB GLU 67 1HB GLU 67 4.197 9.162 -6.929 715 2HB GLU 67 2HB GLU 67 4.018 10.727 -7.699 716 1HG GLU 67 1HG GLU 67 2.905 10.662 -4.956 717 2HG GLU 67 2HG GLU 67 4.618 10.294 -5.004 718 QB GLU 67 QB GLU 67 4.107 9.944 -7.314 719 QG GLU 67 QG GLU 67 3.761 10.478 -4.980 720 H SER 68 H SER 68 2.679 8.068 -9.033 721 HA SER 68 HA SER 68 2.559 9.662 -11.241 722 1HB SER 68 1HB SER 68 2.769 7.692 -12.466 723 2HB SER 68 2HB SER 68 3.297 7.149 -10.886 724 HG SER 68 HG SER 68 1.810 5.620 -11.450 725 QB SER 68 QB SER 68 3.033 7.421 -11.676 726 H GLN 69 H GLN 69 -0.045 7.803 -9.574 727 HA GLN 69 HA GLN 69 -1.957 8.585 -11.544 728 1HB GLN 69 1HB GLN 69 -3.570 7.368 -10.076 729 2HB GLN 69 2HB GLN 69 -2.173 6.394 -10.489 730 1HG GLN 69 1HG GLN 69 -1.136 6.843 -8.309 731 2HG GLN 69 2HG GLN 69 -2.389 7.997 -7.901 732 1HE2 GLN 69 1HE2 GLN 69 -1.351 4.854 -7.624 733 2HE2 GLN 69 2HE2 GLN 69 -2.810 4.076 -7.108 734 QB GLN 69 QB GLN 69 -2.871 6.881 -10.282 735 QG GLN 69 QG GLN 69 -1.763 7.420 -8.105 736 QE GLN 69 QE2 GLN 69 -2.081 4.465 -7.366 737 H GLY 70 H GLY 70 -0.376 10.492 -9.564 738 1HA GLY 70 2HA GLY 70 -2.101 12.588 -9.469 739 2HA GLY 70 1HA GLY 70 -0.792 12.336 -8.332 740 QA GLY 70 QA GLY 70 -1.446 12.462 -8.900 741 H ILE 71 H ILE 71 -1.509 10.206 -6.778 742 HA ILE 71 HA ILE 71 -4.171 10.932 -5.771 743 HB ILE 71 HB ILE 71 -3.818 8.607 -6.644 744 1HG1 ILE 71 1HG1 ILE 71 -4.473 8.437 -3.725 745 2HG1 ILE 71 2HG1 ILE 71 -5.447 9.477 -4.744 746 1HG2 ILE 71 2HG2 ILE 71 -1.439 8.635 -5.398 747 2HG2 ILE 71 3HG2 ILE 71 -2.418 7.841 -4.141 748 3HG2 ILE 71 1HG2 ILE 71 -2.330 7.142 -5.776 749 1HD1 ILE 71 1HD1 ILE 71 -5.388 7.285 -6.344 750 2HD1 ILE 71 2HD1 ILE 71 -5.194 6.493 -4.761 751 3HD1 ILE 71 3HD1 ILE 71 -6.616 7.516 -5.076 752 MG ILE 71 QG2 ILE 71 -2.062 7.873 -5.105 753 MD ILE 71 QD1 ILE 71 -5.732 7.098 -5.394 754 QG ILE 71 QG1 ILE 71 -4.960 8.957 -4.234 755 H ALA 72 H ALA 72 -4.247 10.308 -3.241 756 HA ALA 72 HA ALA 72 -1.809 11.428 -2.042 757 1HB ALA 72 1HB ALA 72 -3.974 12.934 -2.313 758 2HB ALA 72 2HB ALA 72 -4.538 12.000 -0.906 759 3HB ALA 72 3HB ALA 72 -3.040 12.956 -0.799 760 MB ALA 72 QB ALA 72 -3.850 12.630 -1.339 761 H TYR 73 H TYR 73 -0.906 10.015 -0.638 762 HA TYR 73 HA TYR 73 -2.728 8.236 0.823 763 1HB TYR 73 1HB TYR 73 -0.697 6.580 0.482 764 2HB TYR 73 2HB TYR 73 -1.741 6.848 -0.901 765 HD1 TYR 73 HD1 TYR 73 1.601 6.745 0.180 766 HD2 TYR 73 HD2 TYR 73 -0.991 8.880 -2.471 767 HE1 TYR 73 HE1 TYR 73 3.606 7.481 -1.199 768 HE2 TYR 73 HE2 TYR 73 1.023 9.609 -3.841 769 HH TYR 73 HH TYR 73 3.903 8.166 -3.717 770 QB TYR 73 QB TYR 73 -1.219 6.714 -0.209 771 QD TYR 73 QD TYR 73 0.305 7.812 -1.146 772 QE TYR 73 QE TYR 73 2.315 8.545 -2.520 773 QR TYR 73 QR TYR 73 1.310 8.179 -1.833 774 H SER 74 H SER 74 -0.850 6.886 2.363 775 HA SER 74 HA SER 74 1.088 8.611 3.412 776 1HB SER 74 1HB SER 74 -1.630 8.625 4.672 777 2HB SER 74 2HB SER 74 -0.270 8.528 5.772 778 HG SER 74 HG SER 74 0.619 10.454 4.720 779 QB SER 74 QB SER 74 -0.950 8.577 5.222 780 H ILE 75 H ILE 75 1.975 7.613 5.586 781 HA ILE 75 HA ILE 75 1.817 4.712 5.264 782 HB ILE 75 HB ILE 75 3.883 6.558 6.446 783 1HG1 ILE 75 1HG1 ILE 75 5.313 5.342 4.726 784 2HG1 ILE 75 2HG1 ILE 75 3.826 4.691 4.065 785 1HG2 ILE 75 1HG2 ILE 75 3.576 4.546 7.885 786 2HG2 ILE 75 2HG2 ILE 75 3.963 3.530 6.476 787 3HG2 ILE 75 3HG2 ILE 75 5.181 4.656 7.123 788 1HD1 ILE 75 3HD1 ILE 75 3.617 7.587 4.514 789 2HD1 ILE 75 1HD1 ILE 75 4.970 7.173 3.435 790 3HD1 ILE 75 2HD1 ILE 75 3.318 6.649 3.032 791 MG ILE 75 QG2 ILE 75 4.240 4.244 7.161 792 MD ILE 75 QD1 ILE 75 3.969 7.136 3.660 793 QG ILE 75 QG1 ILE 75 4.569 5.016 4.395 794 H MET 76 H MET 76 0.996 3.392 6.837 795 HA MET 76 HA MET 76 -0.157 4.785 9.098 796 1HB MET 76 1HB MET 76 -1.300 3.022 7.417 797 2HB MET 76 2HB MET 76 -0.558 1.836 8.473 798 1HG MET 76 1HG MET 76 -2.667 2.133 9.482 799 2HG MET 76 2HG MET 76 -1.662 3.211 10.431 800 1HE MET 76 1HE MET 76 -3.715 4.117 11.230 801 2HE MET 76 2HE MET 76 -2.935 5.694 10.958 802 3HE MET 76 3HE MET 76 -4.625 5.440 10.462 803 QB MET 76 QB MET 76 -0.929 2.429 7.945 804 QG MET 76 QG MET 76 -2.165 2.672 9.957 805 ME MET 76 QE MET 76 -3.758 5.084 10.883 806 H ILE 77 H ILE 77 1.750 1.773 8.375 807 HA ILE 77 HA ILE 77 3.029 2.122 10.983 808 HB ILE 77 HB ILE 77 1.247 0.497 11.278 809 1HG1 ILE 77 1HG1 ILE 77 2.577 -1.304 12.231 810 2HG1 ILE 77 2HG1 ILE 77 3.963 -0.849 11.262 811 1HG2 ILE 77 3HG2 ILE 77 1.046 -0.272 8.958 812 2HG2 ILE 77 1HG2 ILE 77 2.611 -1.109 9.099 813 3HG2 ILE 77 2HG2 ILE 77 1.229 -1.632 10.091 814 1HD1 ILE 77 1HD1 ILE 77 2.830 1.397 12.835 815 2HD1 ILE 77 2HD1 ILE 77 3.470 0.060 13.822 816 3HD1 ILE 77 3HD1 ILE 77 4.523 0.881 12.645 817 MG ILE 77 QG2 ILE 77 1.629 -1.004 9.383 818 MD ILE 77 QD1 ILE 77 3.608 0.779 13.101 819 QG ILE 77 QG1 ILE 77 3.270 -1.077 11.747 820 H GLU 78 H GLU 78 5.229 1.660 11.004 821 HA GLU 78 HA GLU 78 6.293 0.518 8.559 822 1HB GLU 78 1HB GLU 78 6.332 3.175 8.734 823 2HB GLU 78 2HB GLU 78 7.703 2.889 9.788 824 1HG GLU 78 1HG GLU 78 8.176 1.180 7.597 825 2HG GLU 78 2HG GLU 78 7.515 2.627 6.861 826 QB GLU 78 QB GLU 78 7.017 3.032 9.261 827 QG GLU 78 QG GLU 78 7.846 1.903 7.229 828 H ASP 79 H ASP 79 9.049 1.452 9.712 829 HA ASP 79 HA ASP 79 9.320 -0.876 11.374 830 1HB ASP 79 1HB ASP 79 11.148 0.968 9.865 831 2HB ASP 79 2HB ASP 79 11.829 0.190 11.279 832 QB ASP 79 QB ASP 79 11.489 0.579 10.572 833 H VAL 80 H VAL 80 8.049 0.185 13.201 834 HA VAL 80 HA VAL 80 9.444 2.389 14.498 835 HB VAL 80 HB VAL 80 6.914 2.238 14.032 836 1HG1 VAL 80 2HG1 VAL 80 6.914 -0.144 15.132 837 2HG1 VAL 80 3HG1 VAL 80 6.779 0.770 16.654 838 3HG1 VAL 80 1HG1 VAL 80 5.541 0.958 15.389 839 1HG2 VAL 80 3HG2 VAL 80 8.430 3.581 15.919 840 2HG2 VAL 80 1HG2 VAL 80 6.731 3.918 15.510 841 3HG2 VAL 80 2HG2 VAL 80 7.122 2.863 16.889 842 MG1 VAL 80 QG1 VAL 80 6.411 0.528 15.725 843 MG2 VAL 80 QG2 VAL 80 7.428 3.454 16.106 844 QG VAL 80 QQG VAL 80 6.919 1.991 15.915 845 H GLN 81 H GLN 81 11.045 1.896 15.900 846 HA GLN 81 HA GLN 81 11.799 -0.510 16.706 847 1HB GLN 81 1HB GLN 81 13.054 1.566 17.160 848 2HB GLN 81 2HB GLN 81 11.877 2.048 18.365 849 1HG GLN 81 1HG GLN 81 12.593 -0.534 19.189 850 2HG GLN 81 2HG GLN 81 14.104 0.117 18.585 851 1HE2 GLN 81 1HE2 GLN 81 14.252 -0.361 21.079 852 2HE2 GLN 81 2HE2 GLN 81 14.076 1.025 22.104 853 QB GLN 81 QB GLN 81 12.466 1.807 17.762 854 QG GLN 81 QG GLN 81 13.348 -0.209 18.887 855 QE GLN 81 QE2 GLN 81 14.164 0.332 21.591 No H/Q in entry = 855 Start of MODEL 4 1 H MET 1 H MET 1 21.369 -29.407 16.905 2 HA MET 1 HA MET 1 21.982 -27.181 17.734 3 1HB MET 1 1HB MET 1 22.533 -27.902 15.400 4 2HB MET 1 2HB MET 1 20.945 -27.406 14.853 5 1HG MET 1 1HG MET 1 21.825 -25.355 14.418 6 2HG MET 1 2HG MET 1 21.955 -25.111 16.149 7 1HE MET 1 2HE MET 1 23.473 -23.503 14.830 8 2HE MET 1 3HE MET 1 25.225 -23.726 15.050 9 3HE MET 1 1HE MET 1 24.457 -24.167 13.504 10 QB MET 1 QB MET 1 21.739 -27.654 15.127 11 QG MET 1 QG MET 1 21.890 -25.233 15.283 12 ME MET 1 QE MET 1 24.385 -23.799 14.461 13 H ARG 2 H ARG 2 19.168 -26.863 15.449 14 HA ARG 2 HA ARG 2 17.417 -25.759 17.181 15 1HB ARG 2 1HB ARG 2 17.639 -23.265 16.533 16 2HB ARG 2 2HB ARG 2 18.819 -23.877 17.675 17 1HG ARG 2 1HG ARG 2 20.104 -24.426 15.307 18 2HG ARG 2 2HG ARG 2 19.194 -23.005 14.840 19 1HD ARG 2 1HD ARG 2 20.187 -22.239 17.322 20 2HD ARG 2 2HD ARG 2 21.489 -23.245 16.718 21 HE ARG 2 HE ARG 2 20.506 -21.361 14.711 22 1HH1 ARG 2 2HH1 ARG 2 21.890 -19.662 14.063 23 2HH1 ARG 2 1HH1 ARG 2 23.279 -19.266 15.019 24 1HH2 ARG 2 2HH2 ARG 2 22.687 -21.750 17.445 25 2HH2 ARG 2 1HH2 ARG 2 23.735 -20.462 16.955 26 QB ARG 2 QB ARG 2 18.229 -23.571 17.104 27 QG ARG 2 QG ARG 2 19.649 -23.715 15.074 28 QD ARG 2 QD ARG 2 20.838 -22.742 17.020 29 QH1 ARG 2 QH1 ARG 2 22.585 -19.464 14.541 30 QH2 ARG 2 QH2 ARG 2 23.211 -21.106 17.200 31 H SER 3 H SER 3 15.974 -23.912 15.730 32 HA SER 3 HA SER 3 15.678 -25.277 13.172 33 1HB SER 3 1HB SER 3 13.287 -24.400 13.288 34 2HB SER 3 2HB SER 3 13.700 -25.617 14.479 35 HG SER 3 HG SER 3 13.686 -24.120 16.104 36 QB SER 3 QB SER 3 13.494 -25.009 13.883 37 H LEU 4 H LEU 4 14.121 -23.509 11.742 38 HA LEU 4 HA LEU 4 15.836 -21.129 11.642 39 1HB LEU 4 1HB LEU 4 14.235 -22.345 9.393 40 2HB LEU 4 2HB LEU 4 15.397 -21.037 9.287 41 HG LEU 4 HG LEU 4 16.113 -23.864 10.109 42 1HD1 LEU 4 2HD1 LEU 4 15.567 -22.749 7.473 43 2HD1 LEU 4 3HD1 LEU 4 17.217 -23.407 7.605 44 3HD1 LEU 4 1HD1 LEU 4 15.815 -24.437 7.980 45 1HD2 LEU 4 1HD2 LEU 4 17.641 -22.089 10.905 46 2HD2 LEU 4 2HD2 LEU 4 18.406 -23.192 9.735 47 3HD2 LEU 4 3HD2 LEU 4 17.883 -21.570 9.219 48 MD1 LEU 4 QD1 LEU 4 16.199 -23.531 7.686 49 MD2 LEU 4 QD2 LEU 4 17.977 -22.284 9.953 50 QB LEU 4 QB LEU 4 14.816 -21.691 9.340 51 QD LEU 4 QQD LEU 4 17.088 -22.907 8.820 52 H GLU 5 H GLU 5 14.886 -19.069 11.485 53 HA GLU 5 HA GLU 5 12.013 -19.110 11.999 54 1HB GLU 5 1HB GLU 5 13.659 -18.330 13.865 55 2HB GLU 5 2HB GLU 5 13.890 -16.894 12.888 56 1HG GLU 5 1HG GLU 5 12.121 -16.213 14.261 57 2HG GLU 5 2HG GLU 5 11.245 -16.794 12.859 58 QB GLU 5 QB GLU 5 13.774 -17.612 13.376 59 QG GLU 5 QG GLU 5 11.683 -16.503 13.560 60 H THR 6 H THR 6 10.703 -17.951 10.615 61 HA THR 6 HA THR 6 12.098 -16.356 8.573 62 HB THR 6 HB THR 6 10.124 -16.923 7.169 63 HG1 THR 6 HG1 THR 6 8.551 -17.028 8.883 64 1HG2 THR 6 3HG2 THR 6 11.473 -19.214 8.654 65 2HG2 THR 6 1HG2 THR 6 10.200 -19.538 7.453 66 3HG2 THR 6 2HG2 THR 6 11.696 -18.710 6.961 67 MG THR 6 QG2 THR 6 11.123 -19.154 7.689 68 H PHE 7 H PHE 7 10.648 -14.549 7.629 69 HA PHE 7 HA PHE 7 8.764 -13.388 9.392 70 1HB PHE 7 1HB PHE 7 11.671 -12.435 9.243 71 2HB PHE 7 2HB PHE 7 10.398 -11.295 9.632 72 HD1 PHE 7 HD1 PHE 7 12.755 -13.470 10.995 73 HD2 PHE 7 HD2 PHE 7 8.773 -12.128 11.583 74 HE1 PHE 7 HE1 PHE 7 12.882 -14.151 13.407 75 HE2 PHE 7 HE2 PHE 7 8.900 -12.809 13.995 76 HZ PHE 7 HZ PHE 7 10.952 -13.813 14.878 77 QB PHE 7 QB PHE 7 11.034 -11.865 9.438 78 QD PHE 7 QD PHE 7 10.764 -12.799 11.289 79 QE PHE 7 QE PHE 7 10.891 -13.480 13.701 80 QR PHE 7 QR PHE 7 10.852 -13.274 12.971 81 H VAL 8 H VAL 8 8.702 -10.784 8.641 82 HA VAL 8 HA VAL 8 9.177 -10.630 5.786 83 HB VAL 8 HB VAL 8 6.413 -10.033 6.776 84 1HG1 VAL 8 1HG1 VAL 8 7.768 -10.501 4.138 85 2HG1 VAL 8 2HG1 VAL 8 6.031 -10.855 4.300 86 3HG1 VAL 8 3HG1 VAL 8 6.640 -9.214 4.630 87 1HG2 VAL 8 2HG2 VAL 8 6.863 -12.353 7.478 88 2HG2 VAL 8 3HG2 VAL 8 5.668 -12.282 6.161 89 3HG2 VAL 8 1HG2 VAL 8 7.346 -12.759 5.814 90 MG1 VAL 8 QG1 VAL 8 6.813 -10.190 4.356 91 MG2 VAL 8 QG2 VAL 8 6.626 -12.465 6.485 92 QG VAL 8 QQG VAL 8 6.720 -11.327 5.420 93 H GLY 9 H GLY 9 8.713 -8.354 4.983 94 1HA GLY 9 2HA GLY 9 10.046 -6.385 5.860 95 2HA GLY 9 1HA GLY 9 8.898 -6.392 7.184 96 QA GLY 9 QA GLY 9 9.472 -6.389 6.522 97 H ASP 10 H ASP 10 6.441 -6.857 6.056 98 HA ASP 10 HA ASP 10 6.101 -5.368 3.683 99 1HB ASP 10 1HB ASP 10 4.350 -6.755 5.690 100 2HB ASP 10 2HB ASP 10 3.585 -5.504 4.730 101 QB ASP 10 QB ASP 10 3.967 -6.130 5.210 102 H GLN 11 H GLN 11 3.916 -3.702 4.066 103 HA GLN 11 HA GLN 11 4.041 -2.180 6.403 104 1HB GLN 11 1HB GLN 11 6.234 -1.546 5.143 105 2HB GLN 11 2HB GLN 11 5.194 -0.708 4.009 106 1HG GLN 11 1HG GLN 11 4.156 0.478 6.073 107 2HG GLN 11 2HG GLN 11 5.502 -0.168 6.992 108 1HE2 GLN 11 1HE2 GLN 11 7.589 0.528 6.612 109 2HE2 GLN 11 2HE2 GLN 11 7.967 1.969 5.729 110 QB GLN 11 QB GLN 11 5.714 -1.127 4.576 111 QG GLN 11 QG GLN 11 4.829 0.155 6.533 112 QE GLN 11 QE2 GLN 11 7.778 1.248 6.171 113 H VAL 12 H VAL 12 2.097 -1.102 6.590 114 HA VAL 12 HA VAL 12 0.362 -1.203 4.270 115 HB VAL 12 HB VAL 12 -0.486 -0.100 6.904 116 1HG1 VAL 12 1HG1 VAL 12 -1.701 -1.878 4.776 117 2HG1 VAL 12 2HG1 VAL 12 -2.468 -1.611 6.360 118 3HG1 VAL 12 3HG1 VAL 12 -2.189 -0.237 5.261 119 1HG2 VAL 12 1HG2 VAL 12 0.519 -2.894 6.464 120 2HG2 VAL 12 2HG2 VAL 12 0.668 -1.838 7.890 121 3HG2 VAL 12 3HG2 VAL 12 -0.884 -2.632 7.527 122 MG1 VAL 12 QG1 VAL 12 -2.119 -1.242 5.466 123 MG2 VAL 12 QG2 VAL 12 0.101 -2.455 7.293 124 QG VAL 12 QQG VAL 12 -1.009 -1.849 6.379 125 H LEU 13 H LEU 13 -1.146 0.809 3.992 126 HA LEU 13 HA LEU 13 0.085 3.311 4.658 127 1HB LEU 13 1HB LEU 13 0.731 4.038 2.562 128 2HB LEU 13 2HB LEU 13 1.369 2.409 2.666 129 HG LEU 13 HG LEU 13 -1.184 2.151 1.487 130 1HD1 LEU 13 3HD1 LEU 13 0.381 4.432 0.246 131 2HD1 LEU 13 1HD1 LEU 13 -1.028 3.620 -0.478 132 3HD1 LEU 13 2HD1 LEU 13 -1.212 4.541 1.034 133 1HD2 LEU 13 2HD2 LEU 13 1.598 2.052 0.292 134 2HD2 LEU 13 3HD2 LEU 13 0.693 0.705 1.024 135 3HD2 LEU 13 1HD2 LEU 13 0.123 1.441 -0.493 136 MD1 LEU 13 QD1 LEU 13 -0.620 4.197 0.267 137 MD2 LEU 13 QD2 LEU 13 0.804 1.399 0.275 138 QB LEU 13 QB LEU 13 1.050 3.223 2.614 139 QD LEU 13 QQD LEU 13 0.092 2.798 0.271 140 H GLU 14 H GLU 14 -1.379 5.065 4.415 141 HA GLU 14 HA GLU 14 -4.091 4.126 4.005 142 1HB GLU 14 1HB GLU 14 -3.456 6.878 5.054 143 2HB GLU 14 2HB GLU 14 -4.797 5.823 5.454 144 1HG GLU 14 1HG GLU 14 -3.091 4.252 6.564 145 2HG GLU 14 2HG GLU 14 -1.893 5.511 6.339 146 QB GLU 14 QB GLU 14 -4.126 6.350 5.254 147 QG GLU 14 QG GLU 14 -2.492 4.882 6.451 148 H ILE 15 H ILE 15 -5.141 4.583 2.120 149 HA ILE 15 HA ILE 15 -4.063 6.801 0.526 150 HB ILE 15 HB ILE 15 -5.534 4.328 -0.392 151 1HG1 ILE 15 1HG1 ILE 15 -2.610 4.954 -0.825 152 2HG1 ILE 15 2HG1 ILE 15 -3.167 4.035 0.560 153 1HG2 ILE 15 2HG2 ILE 15 -4.749 6.842 -1.718 154 2HG2 ILE 15 3HG2 ILE 15 -4.296 5.356 -2.586 155 3HG2 ILE 15 1HG2 ILE 15 -5.997 5.648 -2.148 156 1HD1 ILE 15 3HD1 ILE 15 -4.273 2.396 -0.964 157 2HD1 ILE 15 1HD1 ILE 15 -3.687 3.325 -2.365 158 3HD1 ILE 15 2HD1 ILE 15 -2.526 2.520 -1.282 159 MG ILE 15 QG2 ILE 15 -5.014 5.948 -2.151 160 MD ILE 15 QD1 ILE 15 -3.495 2.747 -1.537 161 QG ILE 15 QG1 ILE 15 -2.889 4.495 -0.132 162 H VAL 16 H VAL 16 -5.500 8.327 -0.369 163 HA VAL 16 HA VAL 16 -8.285 8.057 0.500 164 HB VAL 16 HB VAL 16 -6.551 10.523 0.758 165 1HG1 VAL 16 2HG1 VAL 16 -9.495 10.038 1.024 166 2HG1 VAL 16 3HG1 VAL 16 -8.718 11.187 2.139 167 3HG1 VAL 16 1HG1 VAL 16 -8.620 11.449 0.382 168 1HG2 VAL 16 2HG2 VAL 16 -6.873 8.297 2.507 169 2HG2 VAL 16 3HG2 VAL 16 -6.000 9.820 2.799 170 3HG2 VAL 16 1HG2 VAL 16 -7.720 9.684 3.233 171 MG1 VAL 16 QG1 VAL 16 -8.944 10.892 1.182 172 MG2 VAL 16 QG2 VAL 16 -6.864 9.267 2.846 173 QG VAL 16 QQG VAL 16 -7.904 10.079 2.014 174 HA PRO 17 HA PRO 17 -8.295 8.942 -3.850 175 1HB PRO 17 1HB PRO 17 -10.584 7.569 -4.435 176 2HB PRO 17 2HB PRO 17 -8.990 6.842 -4.485 177 1HG PRO 17 1HG PRO 17 -11.113 6.517 -2.453 178 2HG PRO 17 2HG PRO 17 -9.715 5.503 -2.753 179 1HD PRO 17 1HD PRO 17 -10.034 7.399 -0.625 180 2HD PRO 17 2HD PRO 17 -8.595 6.470 -0.993 181 QB PRO 17 QB PRO 17 -9.787 7.205 -4.460 182 QG PRO 17 QG PRO 17 -10.414 6.010 -2.603 183 QD PRO 17 QD PRO 17 -9.315 6.934 -0.809 184 H SER 18 H SER 18 -10.236 9.687 -5.395 185 HA SER 18 HA SER 18 -12.061 11.262 -3.849 186 1HB SER 18 1HB SER 18 -9.980 12.679 -4.037 187 2HB SER 18 2HB SER 18 -10.131 12.619 -5.782 188 HG SER 18 HG SER 18 -11.527 14.226 -5.663 189 QB SER 18 QB SER 18 -10.056 12.649 -4.909 190 H ASN 19 H ASN 19 -10.624 10.466 -7.072 191 HA ASN 19 HA ASN 19 -13.320 10.674 -8.160 192 1HB ASN 19 1HB ASN 19 -10.575 11.226 -9.275 193 2HB ASN 19 2HB ASN 19 -11.742 10.543 -10.389 194 1HD2 ASN 19 1HD2 ASN 19 -10.709 13.030 -10.787 195 2HD2 ASN 19 2HD2 ASN 19 -11.915 14.252 -10.562 196 QB ASN 19 QB ASN 19 -11.159 10.884 -9.832 197 QD ASN 19 QD2 ASN 19 -11.312 13.641 -10.674 198 H GLU 20 H GLU 20 -13.090 9.136 -10.464 199 HA GLU 20 HA GLU 20 -12.714 6.518 -9.329 200 1HB GLU 20 1HB GLU 20 -14.078 7.621 -11.790 201 2HB GLU 20 2HB GLU 20 -13.664 5.919 -11.739 202 1HG GLU 20 1HG GLU 20 -15.306 5.441 -10.223 203 2HG GLU 20 2HG GLU 20 -14.928 6.836 -9.233 204 QB GLU 20 QB GLU 20 -13.871 6.770 -11.765 205 QG GLU 20 QG GLU 20 -15.117 6.138 -9.728 206 H GLU 21 H GLU 21 -11.001 8.813 -11.268 207 HA GLU 21 HA GLU 21 -9.656 7.061 -12.960 208 1HB GLU 21 1HB GLU 21 -9.536 9.320 -13.587 209 2HB GLU 21 2HB GLU 21 -9.190 9.869 -11.960 210 1HG GLU 21 1HG GLU 21 -6.911 9.065 -12.065 211 2HG GLU 21 2HG GLU 21 -7.226 8.137 -13.518 212 QB GLU 21 QB GLU 21 -9.363 9.595 -12.774 213 QG GLU 21 QG GLU 21 -7.068 8.601 -12.791 214 H GLN 22 H GLN 22 -8.462 8.728 -9.945 215 HA GLN 22 HA GLN 22 -6.153 7.210 -9.801 216 1HB GLN 22 1HB GLN 22 -7.556 8.429 -7.397 217 2HB GLN 22 2HB GLN 22 -5.835 8.214 -7.643 218 1HG GLN 22 1HG GLN 22 -5.698 10.260 -8.603 219 2HG GLN 22 2HG GLN 22 -6.810 9.757 -9.862 220 1HE2 GLN 22 1HE2 GLN 22 -7.307 10.061 -6.361 221 2HE2 GLN 22 2HE2 GLN 22 -8.560 11.255 -6.413 222 QB GLN 22 QB GLN 22 -6.695 8.322 -7.520 223 QG GLN 22 QG GLN 22 -6.254 10.009 -9.233 224 QE GLN 22 QE2 GLN 22 -7.933 10.658 -6.387 225 H ILE 23 H ILE 23 -9.484 6.555 -8.847 226 HA ILE 23 HA ILE 23 -8.791 4.445 -7.037 227 HB ILE 23 HB ILE 23 -11.297 5.629 -8.145 228 1HG1 ILE 23 1HG1 ILE 23 -10.271 5.068 -5.347 229 2HG1 ILE 23 2HG1 ILE 23 -10.279 6.620 -6.161 230 1HG2 ILE 23 1HG2 ILE 23 -10.967 2.822 -7.227 231 2HG2 ILE 23 2HG2 ILE 23 -12.365 3.723 -6.594 232 3HG2 ILE 23 3HG2 ILE 23 -12.147 3.539 -8.351 233 1HD1 ILE 23 2HD1 ILE 23 -12.940 5.735 -6.398 234 2HD1 ILE 23 3HD1 ILE 23 -12.458 5.254 -4.753 235 3HD1 ILE 23 1HD1 ILE 23 -12.331 6.957 -5.255 236 MG ILE 23 QG2 ILE 23 -11.826 3.362 -7.391 237 MD ILE 23 QD1 ILE 23 -12.577 5.982 -5.469 238 QG ILE 23 QG1 ILE 23 -10.275 5.844 -5.754 239 H LYS 24 H LYS 24 -9.784 4.787 -10.475 240 HA LYS 24 HA LYS 24 -10.038 2.000 -10.894 241 1HB LYS 24 1HB LYS 24 -11.243 3.333 -12.379 242 2HB LYS 24 2HB LYS 24 -9.912 4.441 -12.643 243 1HG LYS 24 1HG LYS 24 -9.548 1.548 -13.434 244 2HG LYS 24 2HG LYS 24 -10.540 2.570 -14.455 245 1HD LYS 24 1HD LYS 24 -8.435 4.248 -14.167 246 2HD LYS 24 2HD LYS 24 -7.588 2.738 -13.892 247 1HE LYS 24 1HE LYS 24 -7.439 3.092 -16.250 248 2HE LYS 24 2HE LYS 24 -8.683 1.872 -16.065 249 1HZ LYS 24 2HZ LYS 24 -10.093 4.120 -15.907 250 2HZ LYS 24 3HZ LYS 24 -8.925 4.577 -16.953 251 3HZ LYS 24 1HZ LYS 24 -9.862 3.282 -17.289 252 QB LYS 24 QB LYS 24 -10.578 3.887 -12.511 253 QD LYS 24 QD LYS 24 -8.011 3.493 -14.029 254 QG LYS 24 QG LYS 24 -10.044 2.059 -13.945 255 QE LYS 24 QE LYS 24 -8.061 2.482 -16.158 256 QZ LYS 24 QZ LYS 24 -9.627 3.993 -16.716 257 H ASN 25 H ASN 25 -7.345 4.137 -10.474 258 HA ASN 25 HA ASN 25 -5.562 2.692 -12.117 259 1HB ASN 25 1HB ASN 25 -5.392 4.907 -10.086 260 2HB ASN 25 2HB ASN 25 -3.919 3.996 -10.352 261 1HD2 ASN 25 1HD2 ASN 25 -2.836 4.113 -12.266 262 2HD2 ASN 25 2HD2 ASN 25 -3.194 5.251 -13.522 263 QB ASN 25 QB ASN 25 -4.656 4.452 -10.219 264 QD ASN 25 QD2 ASN 25 -3.015 4.682 -12.894 265 H LEU 26 H LEU 26 -6.594 2.710 -8.675 266 HA LEU 26 HA LEU 26 -4.539 1.042 -7.713 267 1HB LEU 26 1HB LEU 26 -7.140 2.091 -6.742 268 2HB LEU 26 2HB LEU 26 -6.524 0.655 -5.950 269 HG LEU 26 HG LEU 26 -5.019 3.272 -6.224 270 1HD1 LEU 26 1HD1 LEU 26 -7.161 2.719 -4.548 271 2HD1 LEU 26 2HD1 LEU 26 -5.731 2.438 -3.525 272 3HD1 LEU 26 3HD1 LEU 26 -5.949 4.007 -4.340 273 1HD2 LEU 26 2HD2 LEU 26 -3.988 0.730 -5.816 274 2HD2 LEU 26 3HD2 LEU 26 -3.191 2.276 -5.434 275 3HD2 LEU 26 1HD2 LEU 26 -4.106 1.410 -4.175 276 MD1 LEU 26 QD1 LEU 26 -6.280 3.054 -4.138 277 MD2 LEU 26 QD2 LEU 26 -3.762 1.472 -5.142 278 QB LEU 26 QB LEU 26 -6.832 1.373 -6.346 279 QD LEU 26 QQD LEU 26 -5.021 2.263 -4.640 280 H LEU 27 H LEU 27 -7.852 0.441 -9.005 281 HA LEU 27 HA LEU 27 -8.007 -2.247 -8.439 282 1HB LEU 27 1HB LEU 27 -9.189 -0.427 -10.482 283 2HB LEU 27 2HB LEU 27 -9.380 -2.154 -10.710 284 HG LEU 27 HG LEU 27 -10.267 -0.573 -8.281 285 1HD1 LEU 27 3HD1 LEU 27 -11.585 -1.320 -10.811 286 2HD1 LEU 27 1HD1 LEU 27 -12.519 -1.675 -9.338 287 3HD1 LEU 27 2HD1 LEU 27 -11.954 -0.018 -9.655 288 1HD2 LEU 27 2HD2 LEU 27 -9.995 -3.477 -8.778 289 2HD2 LEU 27 3HD2 LEU 27 -10.006 -2.560 -7.251 290 3HD2 LEU 27 1HD2 LEU 27 -11.540 -2.952 -8.065 291 MD1 LEU 27 QD1 LEU 27 -12.019 -1.004 -9.935 292 MD2 LEU 27 QD2 LEU 27 -10.514 -2.996 -8.031 293 QB LEU 27 QB LEU 27 -9.284 -1.291 -10.596 294 QD LEU 27 QQD LEU 27 -11.266 -2.000 -8.983 295 H GLN 28 H GLN 28 -6.790 -0.684 -11.488 296 HA GLN 28 HA GLN 28 -6.028 -2.988 -12.721 297 1HB GLN 28 1HB GLN 28 -6.001 -0.410 -13.435 298 2HB GLN 28 2HB GLN 28 -4.307 -0.528 -13.004 299 1HG GLN 28 1HG GLN 28 -5.012 -2.860 -14.570 300 2HG GLN 28 2HG GLN 28 -5.592 -1.436 -15.412 301 1HE2 GLN 28 1HE2 GLN 28 -2.904 -3.322 -14.505 302 2HE2 GLN 28 2HE2 GLN 28 -1.637 -2.368 -15.199 303 QB GLN 28 QB GLN 28 -5.154 -0.469 -13.219 304 QG GLN 28 QG GLN 28 -5.302 -2.148 -14.991 305 QE GLN 28 QE2 GLN 28 -2.270 -2.845 -14.852 306 H LEU 29 H LEU 29 -4.355 -1.079 -10.196 307 HA LEU 29 HA LEU 29 -1.877 -2.406 -10.439 308 1HB LEU 29 1HB LEU 29 -1.819 -0.316 -9.438 309 2HB LEU 29 2HB LEU 29 -3.191 -0.650 -8.399 310 HG LEU 29 HG LEU 29 -1.767 -2.260 -7.113 311 1HD1 LEU 29 3HD1 LEU 29 -0.139 -2.737 -8.907 312 2HD1 LEU 29 1HD1 LEU 29 0.512 -1.090 -8.731 313 3HD1 LEU 29 2HD1 LEU 29 0.639 -2.245 -7.383 314 1HD2 LEU 29 1HD2 LEU 29 -1.161 0.676 -7.277 315 2HD2 LEU 29 2HD2 LEU 29 -2.031 -0.241 -6.024 316 3HD2 LEU 29 3HD2 LEU 29 -0.259 -0.364 -6.148 317 MD1 LEU 29 QD1 LEU 29 0.337 -2.024 -8.340 318 MD2 LEU 29 QD2 LEU 29 -1.150 0.024 -6.483 319 QB LEU 29 QB LEU 29 -2.505 -0.483 -8.919 320 QD LEU 29 QQD LEU 29 -0.407 -1.000 -7.412 321 H GLU 30 H GLU 30 -4.468 -2.693 -7.899 322 HA GLU 30 HA GLU 30 -3.396 -4.892 -6.692 323 1HB GLU 30 1HB GLU 30 -5.458 -3.333 -6.103 324 2HB GLU 30 2HB GLU 30 -6.395 -4.569 -6.921 325 1HG GLU 30 1HG GLU 30 -4.996 -6.233 -5.374 326 2HG GLU 30 2HG GLU 30 -4.749 -4.802 -4.392 327 QB GLU 30 QB GLU 30 -5.927 -3.951 -6.512 328 QG GLU 30 QG GLU 30 -4.873 -5.518 -4.883 329 H ALA 31 H ALA 31 -5.211 -4.608 -9.718 330 HA ALA 31 HA ALA 31 -6.043 -7.286 -9.909 331 1HB ALA 31 2HB ALA 31 -6.535 -6.720 -12.197 332 2HB ALA 31 3HB ALA 31 -6.886 -5.280 -11.212 333 3HB ALA 31 1HB ALA 31 -5.388 -5.359 -12.169 334 MB ALA 31 QB ALA 31 -6.270 -5.786 -11.859 335 H GLN 32 H GLN 32 -3.134 -5.507 -11.141 336 HA GLN 32 HA GLN 32 -1.970 -7.426 -12.581 337 1HB GLN 32 1HB GLN 32 -0.937 -5.225 -10.831 338 2HB GLN 32 2HB GLN 32 0.240 -6.414 -11.353 339 1HG GLN 32 1HG GLN 32 -1.634 -4.887 -13.224 340 2HG GLN 32 2HG GLN 32 0.044 -4.471 -12.937 341 1HE2 GLN 32 1HE2 GLN 32 -1.221 -5.187 -15.412 342 2HE2 GLN 32 2HE2 GLN 32 -0.431 -6.595 -16.038 343 QB GLN 32 QB GLN 32 -0.348 -5.819 -11.092 344 QG GLN 32 QG GLN 32 -0.795 -4.679 -13.081 345 QE GLN 32 QE2 GLN 32 -0.826 -5.891 -15.725 346 H GLU 33 H GLU 33 -1.907 -9.591 -12.095 347 HA GLU 33 HA GLU 33 -2.057 -10.790 -9.754 348 1HB GLU 33 1HB GLU 33 -1.814 -11.810 -12.107 349 2HB GLU 33 2HB GLU 33 -0.080 -11.748 -11.862 350 1HG GLU 33 1HG GLU 33 -1.322 -12.916 -9.509 351 2HG GLU 33 2HG GLU 33 -1.914 -13.745 -10.935 352 QB GLU 33 QB GLU 33 -0.947 -11.779 -11.985 353 QG GLU 33 QG GLU 33 -1.618 -13.331 -10.222 354 H HIS 34 H HIS 34 1.102 -9.813 -11.275 355 HA HIS 34 HA HIS 34 2.720 -10.635 -9.214 356 1HB HIS 34 1HB HIS 34 3.315 -8.141 -10.785 357 2HB HIS 34 2HB HIS 34 4.414 -9.390 -10.233 358 HD1 HIS 34 HD1 HIS 34 4.023 -11.845 -11.486 359 HD2 HIS 34 HD2 HIS 34 2.554 -8.414 -13.401 360 HE1 HIS 34 HE1 HIS 34 3.666 -12.488 -13.929 361 HE2 HIS 34 HE2 HIS 34 2.712 -10.356 -15.043 362 QB HIS 34 QB HIS 34 3.865 -8.766 -10.509 363 H LEU 35 H LEU 35 0.945 -7.528 -9.677 364 HA LEU 35 HA LEU 35 1.865 -6.687 -7.037 365 1HB LEU 35 1HB LEU 35 0.834 -5.324 -9.469 366 2HB LEU 35 2HB LEU 35 0.457 -4.596 -7.921 367 HG LEU 35 HG LEU 35 3.249 -5.240 -8.907 368 1HD1 LEU 35 3HD1 LEU 35 1.663 -3.260 -9.877 369 2HD1 LEU 35 1HD1 LEU 35 2.448 -2.427 -8.514 370 3HD1 LEU 35 2HD1 LEU 35 3.439 -3.181 -9.787 371 1HD2 LEU 35 1HD2 LEU 35 2.198 -4.054 -6.352 372 2HD2 LEU 35 2HD2 LEU 35 3.434 -5.312 -6.599 373 3HD2 LEU 35 3HD2 LEU 35 3.809 -3.612 -6.967 374 MD1 LEU 35 QD1 LEU 35 2.517 -2.956 -9.393 375 MD2 LEU 35 QD2 LEU 35 3.147 -4.326 -6.639 376 QB LEU 35 QB LEU 35 0.646 -4.960 -8.695 377 QD LEU 35 QQD LEU 35 2.832 -3.641 -8.016 378 H GLN 36 H GLN 36 0.257 -8.914 -6.882 379 HA GLN 36 HA GLN 36 -2.463 -8.261 -6.757 380 1HB GLN 36 1HB GLN 36 -1.874 -10.565 -7.035 381 2HB GLN 36 2HB GLN 36 -0.790 -10.545 -5.660 382 1HG GLN 36 1HG GLN 36 -3.424 -9.726 -4.766 383 2HG GLN 36 2HG GLN 36 -3.586 -11.202 -5.697 384 1HE2 GLN 36 1HE2 GLN 36 -4.001 -12.575 -4.064 385 2HE2 GLN 36 2HE2 GLN 36 -2.889 -12.993 -2.803 386 QB GLN 36 QB GLN 36 -1.332 -10.555 -6.347 387 QG GLN 36 QG GLN 36 -3.505 -10.464 -5.232 388 QE GLN 36 QE2 GLN 36 -3.445 -12.784 -3.433 389 H LEU 37 H LEU 37 -1.902 -6.110 -5.539 390 HA LEU 37 HA LEU 37 -1.162 -6.217 -2.844 391 1HB LEU 37 1HB LEU 37 -2.927 -4.082 -3.993 392 2HB LEU 37 2HB LEU 37 -1.670 -3.949 -2.779 393 HG LEU 37 HG LEU 37 -1.354 -4.255 -5.766 394 1HD1 LEU 37 3HD1 LEU 37 -0.560 -2.141 -3.756 395 2HD1 LEU 37 1HD1 LEU 37 0.067 -2.195 -5.420 396 3HD1 LEU 37 2HD1 LEU 37 -1.678 -1.994 -5.133 397 1HD2 LEU 37 1HD2 LEU 37 0.382 -5.320 -3.735 398 2HD2 LEU 37 2HD2 LEU 37 0.539 -5.380 -5.507 399 3HD2 LEU 37 3HD2 LEU 37 1.202 -3.998 -4.600 400 MD1 LEU 37 QD1 LEU 37 -0.724 -2.110 -4.769 401 MD2 LEU 37 QD2 LEU 37 0.708 -4.899 -4.614 402 QB LEU 37 QB LEU 37 -2.298 -4.016 -3.386 403 QD LEU 37 QQD LEU 37 -0.008 -3.505 -4.692 404 H ASP 38 H ASP 38 -2.487 -5.900 -0.918 405 HA ASP 38 HA ASP 38 -5.117 -7.092 -1.312 406 1HB ASP 38 1HB ASP 38 -2.987 -7.395 0.784 407 2HB ASP 38 2HB ASP 38 -4.643 -7.436 1.354 408 QB ASP 38 QB ASP 38 -3.815 -7.415 1.069 409 H PHE 39 H PHE 39 -6.748 -5.569 -1.007 410 HA PHE 39 HA PHE 39 -6.120 -3.176 0.503 411 1HB PHE 39 1HB PHE 39 -8.452 -4.185 -1.227 412 2HB PHE 39 2HB PHE 39 -8.507 -2.629 -0.422 413 HD1 PHE 39 HD1 PHE 39 -8.407 -3.616 -3.489 414 HD2 PHE 39 HD2 PHE 39 -5.699 -1.715 -0.831 415 HE1 PHE 39 HE1 PHE 39 -7.228 -2.565 -5.441 416 HE2 PHE 39 HE2 PHE 39 -4.522 -0.664 -2.782 417 HZ PHE 39 HZ PHE 39 -5.301 -1.101 -5.064 418 QB PHE 39 QB PHE 39 -8.479 -3.407 -0.825 419 QD PHE 39 QD PHE 39 -7.053 -2.666 -2.160 420 QE PHE 39 QE PHE 39 -5.875 -1.614 -4.112 421 QR PHE 39 QR PHE 39 -6.231 -1.932 -3.521 422 H TRP 40 H TRP 40 -6.879 -2.729 2.534 423 HA TRP 40 HA TRP 40 -8.223 -4.818 3.941 424 1HB TRP 40 1HB TRP 40 -7.228 -2.071 4.660 425 2HB TRP 40 2HB TRP 40 -8.204 -3.008 5.773 426 HD1 TRP 40 HD1 TRP 40 -5.654 -4.919 3.643 427 HE1 TRP 40 HE1 TRP 40 -3.667 -5.849 5.111 428 HE3 TRP 40 HE3 TRP 40 -6.938 -2.439 7.892 429 HZ2 TRP 40 HZ2 TRP 40 -2.874 -5.452 7.823 430 HZ3 TRP 40 HZ3 TRP 40 -5.504 -2.765 9.906 431 HH2 TRP 40 HH2 TRP 40 -3.533 -4.210 9.917 432 QB TRP 40 QB TRP 40 -7.716 -2.540 5.217 433 H LYS 41 H LYS 41 -9.009 -1.543 2.634 434 HA LYS 41 HA LYS 41 -11.837 -2.197 3.087 435 1HB LYS 41 1HB LYS 41 -10.686 -0.290 4.480 436 2HB LYS 41 2HB LYS 41 -10.837 0.637 3.000 437 1HG LYS 41 1HG LYS 41 -13.054 0.962 3.357 438 2HG LYS 41 2HG LYS 41 -13.335 -0.763 3.489 439 1HD LYS 41 1HD LYS 41 -12.345 -0.531 5.909 440 2HD LYS 41 2HD LYS 41 -12.601 1.190 5.700 441 1HE LYS 41 1HE LYS 41 -14.934 -0.503 4.937 442 2HE LYS 41 2HE LYS 41 -14.512 -0.575 6.635 443 1HZ LYS 41 3HZ LYS 41 -14.402 1.977 6.363 444 2HZ LYS 41 1HZ LYS 41 -15.370 1.717 5.073 445 3HZ LYS 41 2HZ LYS 41 -15.847 1.241 6.561 446 QB LYS 41 QB LYS 41 -10.762 0.173 3.740 447 QD LYS 41 QD LYS 41 -12.473 0.330 5.804 448 QG LYS 41 QG LYS 41 -13.195 0.099 3.423 449 QE LYS 41 QE LYS 41 -14.723 -0.539 5.786 450 QZ LYS 41 QZ LYS 41 -15.206 1.645 5.999 451 H SER 42 H SER 42 -12.675 -2.805 1.162 452 HA SER 42 HA SER 42 -11.629 -2.531 -1.250 453 1HB SER 42 1HB SER 42 -13.995 -2.604 -2.150 454 2HB SER 42 2HB SER 42 -13.646 -3.811 -0.929 455 HG SER 42 HG SER 42 -14.683 -2.439 0.661 456 QB SER 42 QB SER 42 -13.820 -3.207 -1.539 457 HA PRO 43 HA PRO 43 -11.730 1.904 -1.610 458 1HB PRO 43 1HB PRO 43 -9.684 2.118 -3.408 459 2HB PRO 43 2HB PRO 43 -9.439 2.126 -1.673 460 1HG PRO 43 1HG PRO 43 -8.902 -0.042 -3.610 461 2HG PRO 43 2HG PRO 43 -8.287 0.153 -1.981 462 1HD PRO 43 1HD PRO 43 -10.370 -1.629 -2.828 463 2HD PRO 43 2HD PRO 43 -9.833 -1.351 -1.183 464 QB PRO 43 QB PRO 43 -9.561 2.122 -2.541 465 QG PRO 43 QG PRO 43 -8.594 0.055 -2.796 466 QD PRO 43 QD PRO 43 -10.101 -1.490 -2.006 467 H THR 44 H THR 44 -12.751 -0.502 -3.524 468 HA THR 44 HA THR 44 -12.959 0.405 -6.050 469 HB THR 44 HB THR 44 -15.426 -0.661 -4.646 470 HG1 THR 44 HG1 THR 44 -14.219 -2.639 -4.362 471 1HG2 THR 44 1HG2 THR 44 -13.848 -1.329 -7.180 472 2HG2 THR 44 2HG2 THR 44 -15.139 -2.377 -6.545 473 3HG2 THR 44 3HG2 THR 44 -15.518 -0.721 -7.077 474 MG THR 44 QG2 THR 44 -14.835 -1.475 -6.934 475 H THR 45 H THR 45 -14.565 1.779 -3.190 476 HA THR 45 HA THR 45 -15.866 3.724 -4.975 477 HB THR 45 HB THR 45 -17.551 3.916 -3.277 478 HG1 THR 45 HG1 THR 45 -15.683 2.361 -1.636 479 1HG2 THR 45 1HG2 THR 45 -16.943 1.338 -4.228 480 2HG2 THR 45 2HG2 THR 45 -17.029 1.126 -2.464 481 3HG2 THR 45 3HG2 THR 45 -18.420 1.795 -3.349 482 MG THR 45 QG2 THR 45 -17.464 1.420 -3.347 483 HA PRO 46 HA PRO 46 -13.295 6.806 -3.460 484 1HB PRO 46 1HB PRO 46 -14.809 9.037 -3.912 485 2HB PRO 46 2HB PRO 46 -13.888 8.234 -5.167 486 1HG PRO 46 1HG PRO 46 -16.806 8.194 -4.698 487 2HG PRO 46 2HG PRO 46 -15.921 7.770 -6.150 488 1HD PRO 46 1HD PRO 46 -17.096 5.956 -4.263 489 2HD PRO 46 2HD PRO 46 -16.114 5.533 -5.651 490 QB PRO 46 QB PRO 46 -14.349 8.635 -4.540 491 QG PRO 46 QG PRO 46 -16.363 7.982 -5.424 492 QD PRO 46 QD PRO 46 -16.605 5.744 -4.957 493 H GLY 47 H GLY 47 -13.713 9.197 -2.199 494 1HA GLY 47 2HA GLY 47 -15.443 9.441 -0.180 495 2HA GLY 47 1HA GLY 47 -13.744 9.840 -0.020 496 QA GLY 47 QA GLY 47 -14.594 9.641 -0.100 497 H GLU 48 H GLU 48 -12.863 6.977 -0.426 498 HA GLU 48 HA GLU 48 -13.516 6.122 2.272 499 1HB GLU 48 1HB GLU 48 -14.111 3.951 1.659 500 2HB GLU 48 2HB GLU 48 -14.806 4.875 0.341 501 1HG GLU 48 1HG GLU 48 -13.655 3.164 -0.801 502 2HG GLU 48 2HG GLU 48 -12.511 4.490 -0.869 503 QB GLU 48 QB GLU 48 -14.459 4.413 1.000 504 QG GLU 48 QG GLU 48 -13.083 3.827 -0.835 505 H THR 49 H THR 49 -11.686 5.705 3.447 506 HA THR 49 HA THR 49 -9.148 5.876 2.117 507 HB THR 49 HB THR 49 -8.449 5.449 4.626 508 HG1 THR 49 HG1 THR 49 -10.255 5.420 6.005 509 1HG2 THR 49 2HG2 THR 49 -8.597 7.764 3.595 510 2HG2 THR 49 3HG2 THR 49 -10.324 7.795 4.026 511 3HG2 THR 49 1HG2 THR 49 -9.089 7.731 5.306 512 MG THR 49 QG2 THR 49 -9.337 7.763 4.309 513 H ALA 50 H ALA 50 -7.595 4.309 1.792 514 HA ALA 50 HA ALA 50 -8.565 1.566 2.223 515 1HB ALA 50 2HB ALA 50 -6.655 1.427 0.228 516 2HB ALA 50 1HB ALA 50 -7.455 2.979 -0.117 517 3HB ALA 50 3HB ALA 50 -8.415 1.482 -0.035 518 MB ALA 50 QB ALA 50 -7.508 1.963 0.025 519 H HIS 51 H HIS 51 -6.901 -0.045 2.741 520 HA HIS 51 HA HIS 51 -4.344 1.028 3.549 521 1HB HIS 51 1HB HIS 51 -5.773 -0.567 5.632 522 2HB HIS 51 2HB HIS 51 -4.486 0.610 5.807 523 HD1 HIS 51 HD1 HIS 51 -7.991 0.238 6.436 524 HD2 HIS 51 HD2 HIS 51 -5.562 3.393 5.114 525 HE1 HIS 51 HE1 HIS 51 -9.312 2.381 6.854 526 HE2 HIS 51 HE2 HIS 51 -7.747 4.288 6.073 527 QB HIS 51 QB HIS 51 -5.130 0.021 5.720 528 H VAL 52 H VAL 52 -3.299 -0.282 2.046 529 HA VAL 52 HA VAL 52 -3.828 -3.158 2.302 530 HB VAL 52 HB VAL 52 -4.236 -2.704 0.109 531 1HG1 VAL 52 1HG1 VAL 52 -2.113 -0.544 0.259 532 2HG1 VAL 52 2HG1 VAL 52 -2.922 -1.032 -1.250 533 3HG1 VAL 52 3HG1 VAL 52 -3.873 -0.339 0.086 534 1HG2 VAL 52 3HG2 VAL 52 -2.003 -4.128 0.573 535 2HG2 VAL 52 1HG2 VAL 52 -2.643 -3.835 -1.062 536 3HG2 VAL 52 2HG2 VAL 52 -1.311 -2.835 -0.435 537 MG1 VAL 52 QG1 VAL 52 -2.970 -0.638 -0.302 538 MG2 VAL 52 QG2 VAL 52 -1.986 -3.599 -0.308 539 QG VAL 52 QQG VAL 52 -2.478 -2.119 -0.305 540 H ARG 53 H ARG 53 -2.083 -4.597 2.633 541 HA ARG 53 HA ARG 53 0.145 -3.309 3.887 542 1HB ARG 53 1HB ARG 53 -1.219 -5.501 4.613 543 2HB ARG 53 2HB ARG 53 -0.083 -6.311 3.552 544 1HG ARG 53 1HG ARG 53 1.555 -4.596 5.058 545 2HG ARG 53 2HG ARG 53 0.362 -5.135 6.222 546 1HD ARG 53 1HD ARG 53 1.966 -7.013 4.420 547 2HD ARG 53 2HD ARG 53 2.391 -6.641 6.079 548 HE ARG 53 HE ARG 53 -0.367 -7.595 5.759 549 1HH1 ARG 53 2HH1 ARG 53 -0.903 -9.605 6.703 550 2HH1 ARG 53 1HH1 ARG 53 0.352 -10.673 7.237 551 1HH2 ARG 53 2HH2 ARG 53 2.984 -8.538 6.278 552 2HH2 ARG 53 1HH2 ARG 53 2.577 -10.063 6.994 553 QB ARG 53 QB ARG 53 -0.651 -5.906 4.083 554 QG ARG 53 QG ARG 53 0.958 -4.866 5.640 555 QD ARG 53 QD ARG 53 2.179 -6.827 5.249 556 QH1 ARG 53 QH1 ARG 53 -0.276 -10.139 6.970 557 QH2 ARG 53 QH2 ARG 53 2.780 -9.300 6.636 558 H VAL 54 H VAL 54 1.182 -2.397 1.955 559 HA VAL 54 HA VAL 54 2.033 -4.233 -0.097 560 HB VAL 54 HB VAL 54 2.438 -1.280 0.389 561 1HG1 VAL 54 3HG1 VAL 54 4.313 -2.560 -0.892 562 2HG1 VAL 54 1HG1 VAL 54 3.116 -2.649 -2.207 563 3HG1 VAL 54 2HG1 VAL 54 3.645 -1.065 -1.590 564 1HG2 VAL 54 2HG2 VAL 54 0.542 -2.931 -1.248 565 2HG2 VAL 54 3HG2 VAL 54 0.238 -1.475 -0.270 566 3HG2 VAL 54 1HG2 VAL 54 1.041 -1.332 -1.852 567 MG1 VAL 54 QG1 VAL 54 3.691 -2.091 -1.563 568 MG2 VAL 54 QG2 VAL 54 0.607 -1.913 -1.123 569 QG VAL 54 QQG VAL 54 2.149 -2.002 -1.343 570 HA PRO 55 HA PRO 55 5.856 -5.097 1.737 571 1HB PRO 55 1HB PRO 55 7.218 -6.071 -0.423 572 2HB PRO 55 2HB PRO 55 6.083 -7.030 0.505 573 1HG PRO 55 1HG PRO 55 5.733 -5.817 -2.168 574 2HG PRO 55 2HG PRO 55 4.809 -7.102 -1.416 575 1HD PRO 55 1HD PRO 55 4.012 -4.363 -1.710 576 2HD PRO 55 2HD PRO 55 3.142 -5.621 -0.857 577 QB PRO 55 QB PRO 55 6.650 -6.551 0.041 578 QG PRO 55 QG PRO 55 5.271 -6.460 -1.792 579 QD PRO 55 QD PRO 55 3.577 -4.992 -1.283 580 H PHE 56 H PHE 56 7.647 -4.047 2.408 581 HA PHE 56 HA PHE 56 8.076 -1.499 1.579 582 1HB PHE 56 1HB PHE 56 9.044 -3.082 3.514 583 2HB PHE 56 2HB PHE 56 10.334 -3.404 2.373 584 HD1 PHE 56 HD1 PHE 56 8.527 -0.458 3.802 585 HD2 PHE 56 HD2 PHE 56 12.227 -2.106 2.537 586 HE1 PHE 56 HE1 PHE 56 9.711 1.623 4.555 587 HE2 PHE 56 HE2 PHE 56 13.412 -0.025 3.290 588 HZ PHE 56 HZ PHE 56 12.140 1.815 4.289 589 QB PHE 56 QB PHE 56 9.689 -3.243 2.944 590 QD PHE 56 QD PHE 56 10.377 -1.282 3.169 591 QE PHE 56 QE PHE 56 11.562 0.799 3.922 592 QR PHE 56 QR PHE 56 11.203 0.170 3.695 593 H VAL 57 H VAL 57 9.464 -4.535 0.238 594 HA VAL 57 HA VAL 57 11.339 -3.252 -1.426 595 HB VAL 57 HB VAL 57 11.707 -5.498 -0.884 596 1HG1 VAL 57 3HG1 VAL 57 8.818 -5.885 -1.606 597 2HG1 VAL 57 1HG1 VAL 57 9.941 -7.261 -1.722 598 3HG1 VAL 57 2HG1 VAL 57 9.716 -6.425 -0.168 599 1HG2 VAL 57 1HG2 VAL 57 10.689 -5.384 -3.742 600 2HG2 VAL 57 2HG2 VAL 57 12.335 -5.013 -3.175 601 3HG2 VAL 57 3HG2 VAL 57 11.713 -6.679 -3.077 602 MG1 VAL 57 QG1 VAL 57 9.492 -6.524 -1.166 603 MG2 VAL 57 QG2 VAL 57 11.579 -5.692 -3.331 604 QG VAL 57 QQG VAL 57 10.536 -6.108 -2.248 605 H ASN 58 H ASN 58 7.872 -3.606 -1.533 606 HA ASN 58 HA ASN 58 7.956 -2.784 -4.330 607 1HB ASN 58 1HB ASN 58 6.754 -5.010 -3.647 608 2HB ASN 58 2HB ASN 58 5.536 -3.989 -2.909 609 1HD2 ASN 58 1HD2 ASN 58 6.200 -5.707 -5.551 610 2HD2 ASN 58 2HD2 ASN 58 5.323 -4.854 -6.777 611 QB ASN 58 QB ASN 58 6.145 -4.500 -3.278 612 QD ASN 58 QD2 ASN 58 5.761 -5.281 -6.164 613 H VAL 59 H VAL 59 7.977 -1.417 -1.444 614 HA VAL 59 HA VAL 59 5.503 0.017 -1.391 615 HB VAL 59 HB VAL 59 8.014 -0.131 0.188 616 1HG1 VAL 59 2HG1 VAL 59 6.183 2.289 0.232 617 2HG1 VAL 59 3HG1 VAL 59 7.369 1.895 1.500 618 3HG1 VAL 59 1HG1 VAL 59 7.921 2.258 -0.153 619 1HG2 VAL 59 3HG2 VAL 59 5.966 -1.454 0.711 620 2HG2 VAL 59 1HG2 VAL 59 6.481 -0.389 2.042 621 3HG2 VAL 59 2HG2 VAL 59 5.101 0.072 1.017 622 MG1 VAL 59 QG1 VAL 59 7.158 2.147 0.526 623 MG2 VAL 59 QG2 VAL 59 5.849 -0.590 1.257 624 QG VAL 59 QQG VAL 59 6.503 0.778 0.892 625 H GLN 60 H GLN 60 8.734 0.406 -2.803 626 HA GLN 60 HA GLN 60 8.500 3.175 -3.205 627 1HB GLN 60 1HB GLN 60 10.599 1.563 -3.248 628 2HB GLN 60 2HB GLN 60 10.206 1.383 -4.946 629 1HG GLN 60 1HG GLN 60 11.545 3.244 -5.158 630 2HG GLN 60 2HG GLN 60 10.054 4.088 -4.786 631 1HE2 GLN 60 1HE2 GLN 60 11.133 5.819 -3.890 632 2HE2 GLN 60 2HE2 GLN 60 11.895 5.769 -2.334 633 QB GLN 60 QB GLN 60 10.402 1.473 -4.097 634 QG GLN 60 QG GLN 60 10.800 3.666 -4.972 635 QE GLN 60 QE2 GLN 60 11.514 5.794 -3.112 636 H ALA 61 H ALA 61 8.449 0.442 -5.615 637 HA ALA 61 HA ALA 61 7.627 1.809 -7.792 638 1HB ALA 61 3HB ALA 61 6.183 -0.646 -7.774 639 2HB ALA 61 2HB ALA 61 7.691 -0.921 -6.869 640 3HB ALA 61 1HB ALA 61 7.754 -0.304 -8.538 641 MB ALA 61 QB ALA 61 7.209 -0.624 -7.727 642 H VAL 62 H VAL 62 5.681 0.809 -4.959 643 HA VAL 62 HA VAL 62 3.198 1.494 -6.165 644 HB VAL 62 HB VAL 62 4.061 1.012 -3.308 645 1HG1 VAL 62 1HG1 VAL 62 1.440 1.830 -4.466 646 2HG1 VAL 62 2HG1 VAL 62 1.414 0.548 -3.232 647 3HG1 VAL 62 3HG1 VAL 62 2.130 2.133 -2.853 648 1HG2 VAL 62 2HG2 VAL 62 4.079 -0.833 -5.193 649 2HG2 VAL 62 3HG2 VAL 62 3.436 -1.194 -3.573 650 3HG2 VAL 62 1HG2 VAL 62 2.321 -0.835 -4.913 651 MG1 VAL 62 QG1 VAL 62 1.662 1.504 -3.517 652 MG2 VAL 62 QG2 VAL 62 3.278 -0.954 -4.560 653 QG VAL 62 QQG VAL 62 2.470 0.275 -4.038 654 H LYS 63 H LYS 63 5.545 3.115 -3.953 655 HA LYS 63 HA LYS 63 4.008 5.361 -3.421 656 1HB LYS 63 1HB LYS 63 6.917 4.675 -3.336 657 2HB LYS 63 2HB LYS 63 6.474 6.367 -3.229 658 1HG LYS 63 1HG LYS 63 4.646 5.069 -1.509 659 2HG LYS 63 2HG LYS 63 6.160 4.232 -1.231 660 1HD LYS 63 1HD LYS 63 7.308 6.392 -0.801 661 2HD LYS 63 2HD LYS 63 5.835 7.269 -1.159 662 1HE LYS 63 1HE LYS 63 5.916 7.124 1.233 663 2HE LYS 63 2HE LYS 63 4.712 5.950 0.742 664 1HZ LYS 63 3HZ LYS 63 7.137 4.657 0.702 665 2HZ LYS 63 1HZ LYS 63 7.113 5.509 2.095 666 3HZ LYS 63 2HZ LYS 63 5.918 4.444 1.768 667 QB LYS 63 QB LYS 63 6.695 5.521 -3.282 668 QD LYS 63 QD LYS 63 6.571 6.830 -0.980 669 QG LYS 63 QG LYS 63 5.403 4.650 -1.370 670 QE LYS 63 QE LYS 63 5.314 6.537 0.988 671 QZ LYS 63 QZ LYS 63 6.723 4.870 1.522 672 H VAL 64 H VAL 64 5.965 4.437 -6.255 673 HA VAL 64 HA VAL 64 5.872 7.053 -7.398 674 HB VAL 64 HB VAL 64 6.743 4.317 -8.277 675 1HG1 VAL 64 1HG1 VAL 64 6.420 6.770 -10.026 676 2HG1 VAL 64 2HG1 VAL 64 7.516 5.427 -10.426 677 3HG1 VAL 64 3HG1 VAL 64 5.766 5.134 -10.286 678 1HG2 VAL 64 1HG2 VAL 64 8.080 6.055 -6.818 679 2HG2 VAL 64 2HG2 VAL 64 8.894 5.136 -8.107 680 3HG2 VAL 64 3HG2 VAL 64 8.396 6.821 -8.394 681 MG1 VAL 64 QG1 VAL 64 6.567 5.777 -10.246 682 MG2 VAL 64 QG2 VAL 64 8.457 6.004 -7.773 683 QG VAL 64 QQG VAL 64 7.512 5.891 -9.010 684 H PHE 65 H PHE 65 3.937 4.047 -7.529 685 HA PHE 65 HA PHE 65 2.440 4.697 -9.789 686 1HB PHE 65 1HB PHE 65 2.672 2.495 -8.414 687 2HB PHE 65 2HB PHE 65 1.585 3.206 -7.239 688 HD1 PHE 65 HD1 PHE 65 1.786 2.332 -10.853 689 HD2 PHE 65 HD2 PHE 65 -0.712 2.929 -7.475 690 HE1 PHE 65 HE1 PHE 65 -0.183 1.484 -12.159 691 HE2 PHE 65 HE2 PHE 65 -2.681 2.082 -8.781 692 HZ PHE 65 HZ PHE 65 -2.393 1.370 -11.107 693 QB PHE 65 QB PHE 65 2.128 2.850 -7.826 694 QD PHE 65 QD PHE 65 0.537 2.631 -9.164 695 QE PHE 65 QE PHE 65 -1.432 1.783 -10.470 696 QR PHE 65 QR PHE 65 -0.836 2.040 -10.075 697 H LEU 66 H LEU 66 1.640 5.090 -6.259 698 HA LEU 66 HA LEU 66 -0.798 6.260 -6.526 699 1HB LEU 66 1HB LEU 66 1.413 6.652 -4.523 700 2HB LEU 66 2HB LEU 66 -0.124 7.480 -4.369 701 HG LEU 66 HG LEU 66 -0.463 4.610 -4.805 702 1HD1 LEU 66 1HD1 LEU 66 1.795 5.027 -3.409 703 2HD1 LEU 66 2HD1 LEU 66 0.608 5.126 -2.086 704 3HD1 LEU 66 3HD1 LEU 66 0.688 3.667 -3.103 705 1HD2 LEU 66 1HD2 LEU 66 -1.424 6.658 -2.811 706 2HD2 LEU 66 2HD2 LEU 66 -2.337 5.824 -4.090 707 3HD2 LEU 66 3HD2 LEU 66 -1.803 4.927 -2.648 708 MD1 LEU 66 QD1 LEU 66 1.030 4.607 -2.866 709 MD2 LEU 66 QD2 LEU 66 -1.854 5.803 -3.183 710 QB LEU 66 QB LEU 66 0.644 7.066 -4.446 711 QD LEU 66 QQD LEU 66 -0.412 5.205 -3.024 712 H GLU 67 H GLU 67 2.388 8.006 -6.366 713 HA GLU 67 HA GLU 67 1.348 10.498 -6.792 714 1HB GLU 67 1HB GLU 67 4.022 9.199 -7.144 715 2HB GLU 67 2HB GLU 67 3.799 10.736 -7.954 716 1HG GLU 67 1HG GLU 67 3.004 10.410 -5.041 717 2HG GLU 67 2HG GLU 67 4.675 10.719 -5.474 718 QB GLU 67 QB GLU 67 3.911 9.968 -7.549 719 QG GLU 67 QG GLU 67 3.839 10.564 -5.258 720 H SER 68 H SER 68 2.429 8.001 -9.167 721 HA SER 68 HA SER 68 2.247 9.530 -11.422 722 1HB SER 68 1HB SER 68 2.451 7.526 -12.589 723 2HB SER 68 2HB SER 68 3.017 7.034 -11.005 724 HG SER 68 HG SER 68 1.497 5.498 -11.747 725 QB SER 68 QB SER 68 2.734 7.280 -11.797 726 H GLN 69 H GLN 69 -0.292 7.673 -9.648 727 HA GLN 69 HA GLN 69 -2.263 8.385 -11.581 728 1HB GLN 69 1HB GLN 69 -3.823 7.197 -10.029 729 2HB GLN 69 2HB GLN 69 -2.433 6.223 -10.464 730 1HG GLN 69 1HG GLN 69 -1.331 6.723 -8.331 731 2HG GLN 69 2HG GLN 69 -2.564 7.896 -7.913 732 1HE2 GLN 69 1HE2 GLN 69 -1.525 4.774 -7.547 733 2HE2 GLN 69 2HE2 GLN 69 -2.970 4.011 -6.970 734 QB GLN 69 QB GLN 69 -3.128 6.710 -10.247 735 QG GLN 69 QG GLN 69 -1.947 7.310 -8.122 736 QE GLN 69 QE2 GLN 69 -2.248 4.393 -7.258 737 H GLY 70 H GLY 70 -0.649 10.334 -9.633 738 1HA GLY 70 2HA GLY 70 -2.437 12.412 -9.564 739 2HA GLY 70 1HA GLY 70 -1.053 12.239 -8.504 740 QA GLY 70 QA GLY 70 -1.745 12.325 -9.034 741 H ILE 71 H ILE 71 -1.633 10.105 -6.864 742 HA ILE 71 HA ILE 71 -4.218 10.845 -5.683 743 HB ILE 71 HB ILE 71 -3.918 8.506 -6.579 744 1HG1 ILE 71 1HG1 ILE 71 -4.464 8.377 -3.635 745 2HG1 ILE 71 2HG1 ILE 71 -5.468 9.412 -4.632 746 1HG2 ILE 71 3HG2 ILE 71 -1.494 8.491 -5.494 747 2HG2 ILE 71 1HG2 ILE 71 -2.392 7.817 -4.112 748 3HG2 ILE 71 2HG2 ILE 71 -2.451 7.004 -5.695 749 1HD1 ILE 71 1HD1 ILE 71 -4.937 6.621 -5.630 750 2HD1 ILE 71 2HD1 ILE 71 -6.063 6.825 -4.266 751 3HD1 ILE 71 3HD1 ILE 71 -6.389 7.635 -5.818 752 MG ILE 71 QG2 ILE 71 -2.112 7.771 -5.100 753 MD ILE 71 QD1 ILE 71 -5.796 7.027 -5.238 754 QG ILE 71 QG1 ILE 71 -4.966 8.894 -4.133 755 H ALA 72 H ALA 72 -4.113 10.217 -3.151 756 HA ALA 72 HA ALA 72 -1.566 11.243 -2.118 757 1HB ALA 72 3HB ALA 72 -3.039 13.141 -2.137 758 2HB ALA 72 1HB ALA 72 -4.386 12.181 -1.479 759 3HB ALA 72 2HB ALA 72 -2.975 12.551 -0.459 760 MB ALA 72 QB ALA 72 -3.466 12.624 -1.358 761 H TYR 73 H TYR 73 -0.710 9.838 -0.675 762 HA TYR 73 HA TYR 73 -2.604 8.155 0.820 763 1HB TYR 73 1HB TYR 73 -0.505 6.528 0.629 764 2HB TYR 73 2HB TYR 73 -1.549 6.686 -0.769 765 HD1 TYR 73 HD1 TYR 73 1.795 6.839 0.378 766 HD2 TYR 73 HD2 TYR 73 -0.860 8.554 -2.506 767 HE1 TYR 73 HE1 TYR 73 3.782 7.557 -1.035 768 HE2 TYR 73 HE2 TYR 73 1.137 9.265 -3.910 769 HH TYR 73 HH TYR 73 4.089 9.561 -2.823 770 QB TYR 73 QB TYR 73 -1.027 6.607 -0.070 771 QD TYR 73 QD TYR 73 0.467 7.696 -1.064 772 QE TYR 73 QE TYR 73 2.459 8.411 -2.473 773 QR TYR 73 QR TYR 73 1.463 8.054 -1.768 774 H SER 74 H SER 74 -0.817 6.864 2.498 775 HA SER 74 HA SER 74 0.986 8.754 3.604 776 1HB SER 74 1HB SER 74 -1.724 8.314 4.827 777 2HB SER 74 2HB SER 74 -0.362 8.425 5.924 778 HG SER 74 HG SER 74 -0.370 10.402 3.928 779 QB SER 74 QB SER 74 -1.043 8.369 5.375 780 H ILE 75 H ILE 75 2.046 7.777 5.661 781 HA ILE 75 HA ILE 75 2.185 4.884 5.258 782 HB ILE 75 HB ILE 75 4.080 6.915 6.420 783 1HG1 ILE 75 1HG1 ILE 75 5.578 5.893 4.640 784 2HG1 ILE 75 2HG1 ILE 75 4.159 5.074 4.018 785 1HG2 ILE 75 1HG2 ILE 75 4.312 3.894 6.501 786 2HG2 ILE 75 2HG2 ILE 75 5.625 5.038 6.871 787 3HG2 ILE 75 3HG2 ILE 75 4.167 4.995 7.891 788 1HD1 ILE 75 2HD1 ILE 75 3.727 7.966 4.520 789 2HD1 ILE 75 3HD1 ILE 75 4.959 7.615 3.283 790 3HD1 ILE 75 1HD1 ILE 75 3.305 6.984 3.097 791 MG ILE 75 QG2 ILE 75 4.701 4.642 7.088 792 MD ILE 75 QD1 ILE 75 3.997 7.522 3.633 793 QG ILE 75 QG1 ILE 75 4.868 5.484 4.329 794 H MET 76 H MET 76 0.785 3.777 6.526 795 HA MET 76 HA MET 76 -0.191 4.872 8.918 796 1HB MET 76 1HB MET 76 -1.365 3.191 7.399 797 2HB MET 76 2HB MET 76 -0.222 1.968 7.919 798 1HG MET 76 1HG MET 76 -1.142 1.810 10.065 799 2HG MET 76 2HG MET 76 -1.689 3.475 10.076 800 1HE MET 76 1HE MET 76 -3.463 1.197 11.143 801 2HE MET 76 2HE MET 76 -4.067 2.866 11.010 802 3HE MET 76 3HE MET 76 -5.041 1.514 10.383 803 QB MET 76 QB MET 76 -0.793 2.579 7.659 804 QG MET 76 QG MET 76 -1.415 2.642 10.071 805 ME MET 76 QE MET 76 -4.190 1.859 10.845 806 H ILE 77 H ILE 77 1.637 1.757 8.445 807 HA ILE 77 HA ILE 77 3.100 2.408 10.904 808 HB ILE 77 HB ILE 77 1.303 0.845 11.423 809 1HG1 ILE 77 1HG1 ILE 77 2.643 -0.823 12.560 810 2HG1 ILE 77 2HG1 ILE 77 4.002 -0.533 11.493 811 1HG2 ILE 77 3HG2 ILE 77 1.092 -0.169 9.174 812 2HG2 ILE 77 1HG2 ILE 77 2.615 -1.046 9.452 813 3HG2 ILE 77 2HG2 ILE 77 1.199 -1.376 10.478 814 1HD1 ILE 77 2HD1 ILE 77 2.944 1.908 12.834 815 2HD1 ILE 77 3HD1 ILE 77 3.668 0.700 13.922 816 3HD1 ILE 77 1HD1 ILE 77 4.627 1.383 12.588 817 MG ILE 77 QG2 ILE 77 1.635 -0.864 9.701 818 MD ILE 77 QD1 ILE 77 3.746 1.330 13.115 819 QG ILE 77 QG1 ILE 77 3.322 -0.678 12.027 820 H GLU 78 H GLU 78 5.295 1.980 10.856 821 HA GLU 78 HA GLU 78 6.260 1.193 8.242 822 1HB GLU 78 1HB GLU 78 8.352 2.248 8.869 823 2HB GLU 78 2HB GLU 78 7.046 3.342 9.285 824 1HG GLU 78 1HG GLU 78 7.437 1.650 11.563 825 2HG GLU 78 2HG GLU 78 9.034 2.134 11.030 826 QB GLU 78 QB GLU 78 7.699 2.795 9.077 827 QG GLU 78 QG GLU 78 8.235 1.892 11.297 828 H ASP 79 H ASP 79 8.958 0.640 9.780 829 HA ASP 79 HA ASP 79 8.411 -2.158 10.024 830 1HB ASP 79 1HB ASP 79 10.835 -0.392 9.862 831 2HB ASP 79 2HB ASP 79 11.045 -1.920 10.693 832 QB ASP 79 QB ASP 79 10.940 -1.156 10.278 833 H VAL 80 H VAL 80 7.012 -1.789 12.036 834 HA VAL 80 HA VAL 80 7.697 -0.607 14.340 835 HB VAL 80 HB VAL 80 5.644 -1.979 13.683 836 1HG1 VAL 80 3HG1 VAL 80 7.026 -4.094 13.334 837 2HG1 VAL 80 1HG1 VAL 80 7.094 -4.222 15.108 838 3HG1 VAL 80 2HG1 VAL 80 5.523 -4.272 14.272 839 1HG2 VAL 80 3HG2 VAL 80 6.437 -0.940 16.041 840 2HG2 VAL 80 1HG2 VAL 80 4.898 -1.806 15.824 841 3HG2 VAL 80 2HG2 VAL 80 6.307 -2.654 16.504 842 MG1 VAL 80 QG1 VAL 80 6.548 -4.196 14.238 843 MG2 VAL 80 QG2 VAL 80 5.881 -1.800 16.123 844 QG VAL 80 QQG VAL 80 6.214 -2.998 15.181 845 H GLN 81 H GLN 81 9.693 -0.526 15.260 846 HA GLN 81 HA GLN 81 11.456 -2.713 15.068 847 1HB GLN 81 1HB GLN 81 12.161 -0.305 15.187 848 2HB GLN 81 2HB GLN 81 11.617 -0.243 16.852 849 1HG GLN 81 1HG GLN 81 13.457 -1.365 17.629 850 2HG GLN 81 2HG GLN 81 13.419 -2.531 16.321 851 1HE2 GLN 81 1HE2 GLN 81 14.055 -1.696 14.145 852 2HE2 GLN 81 2HE2 GLN 81 15.406 -0.617 14.045 853 QB GLN 81 QB GLN 81 11.889 -0.274 16.020 854 QG GLN 81 QG GLN 81 13.438 -1.948 16.975 855 QE GLN 81 QE2 GLN 81 14.731 -1.157 14.095 No H/Q in entry = 855 Start of MODEL 5 1 H MET 1 H MET 1 32.220 -9.880 20.128 2 HA MET 1 HA MET 1 30.460 -11.439 18.502 3 1HB MET 1 1HB MET 1 30.261 -8.876 20.143 4 2HB MET 1 2HB MET 1 28.951 -9.319 19.066 5 1HG MET 1 1HG MET 1 28.180 -10.493 20.885 6 2HG MET 1 2HG MET 1 29.316 -11.715 20.347 7 1HE MET 1 2HE MET 1 28.435 -12.066 22.770 8 2HE MET 1 3HE MET 1 29.690 -11.993 24.031 9 3HE MET 1 1HE MET 1 28.475 -10.698 23.909 10 QB MET 1 QB MET 1 29.606 -9.098 19.605 11 QG MET 1 QG MET 1 28.748 -11.104 20.616 12 ME MET 1 QE MET 1 28.867 -11.586 23.570 13 H ARG 2 H ARG 2 29.028 -10.174 16.830 14 HA ARG 2 HA ARG 2 29.830 -7.896 15.637 15 1HB ARG 2 1HB ARG 2 31.017 -8.852 13.545 16 2HB ARG 2 2HB ARG 2 31.977 -8.755 15.007 17 1HG ARG 2 1HG ARG 2 30.904 -11.254 15.333 18 2HG ARG 2 2HG ARG 2 30.924 -11.170 13.583 19 1HD ARG 2 1HD ARG 2 33.424 -10.226 14.927 20 2HD ARG 2 2HD ARG 2 33.082 -11.934 15.107 21 HE ARG 2 HE ARG 2 32.735 -11.065 12.353 22 1HH1 ARG 2 2HH1 ARG 2 34.253 -11.749 10.788 23 2HH1 ARG 2 1HH1 ARG 2 35.788 -12.378 11.288 24 1HH2 ARG 2 2HH2 ARG 2 35.151 -12.007 14.732 25 2HH2 ARG 2 1HH2 ARG 2 36.301 -12.525 13.546 26 QB ARG 2 QB ARG 2 31.497 -8.803 14.276 27 QG ARG 2 QG ARG 2 30.914 -11.212 14.458 28 QD ARG 2 QD ARG 2 33.253 -11.080 15.017 29 QH1 ARG 2 QH1 ARG 2 35.021 -12.063 11.038 30 QH2 ARG 2 QH2 ARG 2 35.726 -12.266 14.139 31 H SER 3 H SER 3 27.412 -8.173 15.725 32 HA SER 3 HA SER 3 26.412 -10.003 13.714 33 1HB SER 3 1HB SER 3 25.434 -9.896 16.077 34 2HB SER 3 2HB SER 3 24.817 -8.304 15.678 35 HG SER 3 HG SER 3 23.124 -9.389 14.933 36 QB SER 3 QB SER 3 25.126 -9.100 15.878 37 H LEU 4 H LEU 4 23.980 -8.615 13.076 38 HA LEU 4 HA LEU 4 24.945 -6.105 11.920 39 1HB LEU 4 1HB LEU 4 24.210 -6.620 9.774 40 2HB LEU 4 2HB LEU 4 25.125 -8.019 10.300 41 HG LEU 4 HG LEU 4 22.179 -8.101 10.745 42 1HD1 LEU 4 1HD1 LEU 4 23.397 -7.697 8.095 43 2HD1 LEU 4 2HD1 LEU 4 22.310 -9.101 8.210 44 3HD1 LEU 4 3HD1 LEU 4 21.718 -7.478 8.641 45 1HD2 LEU 4 2HD2 LEU 4 24.271 -10.107 9.865 46 2HD2 LEU 4 3HD2 LEU 4 23.485 -9.981 11.458 47 3HD2 LEU 4 1HD2 LEU 4 22.535 -10.465 10.033 48 MD1 LEU 4 QD1 LEU 4 22.475 -8.092 8.316 49 MD2 LEU 4 QD2 LEU 4 23.430 -10.185 10.452 50 QB LEU 4 QB LEU 4 24.667 -7.320 10.037 51 QD LEU 4 QQD LEU 4 22.953 -9.138 9.384 52 H GLU 5 H GLU 5 22.371 -5.832 10.435 53 HA GLU 5 HA GLU 5 20.698 -5.362 12.779 54 1HB GLU 5 1HB GLU 5 21.592 -3.313 11.572 55 2HB GLU 5 2HB GLU 5 20.678 -3.803 10.160 56 1HG GLU 5 1HG GLU 5 19.513 -2.104 11.669 57 2HG GLU 5 2HG GLU 5 18.570 -3.532 11.290 58 QB GLU 5 QB GLU 5 21.135 -3.558 10.866 59 QG GLU 5 QG GLU 5 19.041 -2.818 11.479 60 H THR 6 H THR 6 18.249 -5.241 12.173 61 HA THR 6 HA THR 6 17.702 -7.370 10.208 62 HB THR 6 HB THR 6 15.760 -7.899 11.753 63 HG1 THR 6 HG1 THR 6 15.495 -6.475 13.446 64 1HG2 THR 6 3HG2 THR 6 18.622 -8.192 12.446 65 2HG2 THR 6 1HG2 THR 6 17.571 -8.159 13.882 66 3HG2 THR 6 2HG2 THR 6 17.301 -9.373 12.608 67 MG THR 6 QG2 THR 6 17.831 -8.574 12.979 68 H PHE 7 H PHE 7 14.949 -7.153 10.059 69 HA PHE 7 HA PHE 7 14.080 -4.510 9.708 70 1HB PHE 7 1HB PHE 7 13.956 -5.012 7.051 71 2HB PHE 7 2HB PHE 7 15.379 -4.262 7.744 72 HD1 PHE 7 HD1 PHE 7 13.979 -7.475 6.573 73 HD2 PHE 7 HD2 PHE 7 17.478 -5.366 7.721 74 HE1 PHE 7 HE1 PHE 7 15.397 -9.346 5.688 75 HE2 PHE 7 HE2 PHE 7 18.897 -7.239 6.837 76 HZ PHE 7 HZ PHE 7 17.839 -9.206 5.830 77 QB PHE 7 QB PHE 7 14.668 -4.637 7.397 78 QD PHE 7 QD PHE 7 15.729 -6.420 7.147 79 QE PHE 7 QE PHE 7 17.147 -8.292 6.262 80 QR PHE 7 QR PHE 7 16.718 -7.726 6.530 81 H VAL 8 H VAL 8 11.860 -4.419 8.900 82 HA VAL 8 HA VAL 8 10.445 -6.818 9.515 83 HB VAL 8 HB VAL 8 9.854 -4.331 9.951 84 1HG1 VAL 8 2HG1 VAL 8 9.841 -4.248 7.168 85 2HG1 VAL 8 3HG1 VAL 8 8.116 -4.293 7.605 86 3HG1 VAL 8 1HG1 VAL 8 9.169 -3.022 8.268 87 1HG2 VAL 8 1HG2 VAL 8 8.215 -6.702 9.474 88 2HG2 VAL 8 2HG2 VAL 8 8.133 -5.498 10.783 89 3HG2 VAL 8 3HG2 VAL 8 7.306 -5.191 9.237 90 MG1 VAL 8 QG1 VAL 8 9.042 -3.855 7.680 91 MG2 VAL 8 QG2 VAL 8 7.885 -5.797 9.831 92 QG VAL 8 QQG VAL 8 8.463 -4.826 8.756 93 H GLY 9 H GLY 9 8.302 -6.216 7.455 94 1HA GLY 9 2HA GLY 9 8.331 -8.069 5.698 95 2HA GLY 9 1HA GLY 9 9.677 -7.171 5.026 96 QA GLY 9 QA GLY 9 9.004 -7.620 5.362 97 H ASP 10 H ASP 10 6.256 -7.505 5.121 98 HA ASP 10 HA ASP 10 5.883 -5.685 3.092 99 1HB ASP 10 1HB ASP 10 3.374 -5.875 4.032 100 2HB ASP 10 2HB ASP 10 4.142 -7.205 3.187 101 QB ASP 10 QB ASP 10 3.758 -6.540 3.609 102 H GLN 11 H GLN 11 3.751 -4.010 3.613 103 HA GLN 11 HA GLN 11 3.944 -2.696 6.085 104 1HB GLN 11 1HB GLN 11 6.092 -1.950 4.885 105 2HB GLN 11 2HB GLN 11 5.066 -1.112 3.738 106 1HG GLN 11 1HG GLN 11 3.956 -0.060 5.908 107 2HG GLN 11 2HG GLN 11 5.443 -0.556 6.693 108 1HE2 GLN 11 1HE2 GLN 11 3.903 1.696 4.661 109 2HE2 GLN 11 2HE2 GLN 11 5.258 2.700 4.264 110 QB GLN 11 QB GLN 11 5.579 -1.531 4.311 111 QG GLN 11 QG GLN 11 4.699 -0.308 6.301 112 QE GLN 11 QE2 GLN 11 4.580 2.198 4.463 113 H VAL 12 H VAL 12 2.125 -1.369 6.399 114 HA VAL 12 HA VAL 12 0.241 -1.402 4.179 115 HB VAL 12 HB VAL 12 -0.457 -0.387 6.888 116 1HG1 VAL 12 2HG1 VAL 12 -1.860 -1.066 4.595 117 2HG1 VAL 12 3HG1 VAL 12 -2.110 -2.470 5.661 118 3HG1 VAL 12 1HG1 VAL 12 -2.549 -0.839 6.220 119 1HG2 VAL 12 3HG2 VAL 12 0.285 -3.261 6.295 120 2HG2 VAL 12 1HG2 VAL 12 0.860 -2.214 7.616 121 3HG2 VAL 12 2HG2 VAL 12 -0.818 -2.807 7.616 122 MG1 VAL 12 QG1 VAL 12 -2.173 -1.458 5.492 123 MG2 VAL 12 QG2 VAL 12 0.109 -2.761 7.175 124 QG VAL 12 QQG VAL 12 -1.032 -2.110 6.334 125 H LEU 13 H LEU 13 -1.191 0.644 3.992 126 HA LEU 13 HA LEU 13 0.033 3.098 4.775 127 1HB LEU 13 1HB LEU 13 0.854 3.890 2.791 128 2HB LEU 13 2HB LEU 13 1.390 2.221 2.782 129 HG LEU 13 HG LEU 13 -1.069 2.121 1.476 130 1HD1 LEU 13 2HD1 LEU 13 -1.014 4.624 1.409 131 2HD1 LEU 13 3HD1 LEU 13 0.451 4.509 0.403 132 3HD1 LEU 13 1HD1 LEU 13 -1.089 3.837 -0.186 133 1HD2 LEU 13 3HD2 LEU 13 1.284 1.062 1.050 134 2HD2 LEU 13 1HD2 LEU 13 0.142 1.288 -0.296 135 3HD2 LEU 13 2HD2 LEU 13 1.484 2.435 -0.066 136 MD1 LEU 13 QD1 LEU 13 -0.551 4.323 0.542 137 MD2 LEU 13 QD2 LEU 13 0.970 1.595 0.230 138 QB LEU 13 QB LEU 13 1.122 3.056 2.786 139 QD LEU 13 QQD LEU 13 0.210 2.959 0.386 140 H GLU 14 H GLU 14 -1.349 4.949 4.247 141 HA GLU 14 HA GLU 14 -4.074 4.025 3.907 142 1HB GLU 14 1HB GLU 14 -3.905 5.313 5.877 143 2HB GLU 14 2HB GLU 14 -2.798 6.465 5.156 144 1HG GLU 14 1HG GLU 14 -4.613 7.362 3.723 145 2HG GLU 14 2HG GLU 14 -5.727 6.157 4.338 146 QB GLU 14 QB GLU 14 -3.352 5.889 5.516 147 QG GLU 14 QG GLU 14 -5.170 6.760 4.030 148 H ILE 15 H ILE 15 -5.534 5.033 2.386 149 HA ILE 15 HA ILE 15 -4.261 6.796 0.436 150 HB ILE 15 HB ILE 15 -5.865 4.369 -0.359 151 1HG1 ILE 15 1HG1 ILE 15 -2.864 4.659 -0.601 152 2HG1 ILE 15 2HG1 ILE 15 -3.625 3.862 0.762 153 1HG2 ILE 15 3HG2 ILE 15 -4.269 6.413 -1.922 154 2HG2 ILE 15 1HG2 ILE 15 -4.890 4.890 -2.603 155 3HG2 ILE 15 2HG2 ILE 15 -6.023 6.117 -1.986 156 1HD1 ILE 15 2HD1 ILE 15 -4.944 2.665 -1.351 157 2HD1 ILE 15 3HD1 ILE 15 -3.327 2.938 -2.041 158 3HD1 ILE 15 1HD1 ILE 15 -3.507 1.992 -0.546 159 MG ILE 15 QG2 ILE 15 -5.061 5.807 -2.170 160 MD ILE 15 QD1 ILE 15 -3.926 2.532 -1.313 161 QG ILE 15 QG1 ILE 15 -3.245 4.261 0.081 162 H VAL 16 H VAL 16 -5.629 8.374 -0.387 163 HA VAL 16 HA VAL 16 -8.438 8.167 0.428 164 HB VAL 16 HB VAL 16 -6.537 10.480 0.820 165 1HG1 VAL 16 3HG1 VAL 16 -9.555 10.422 0.775 166 2HG1 VAL 16 1HG1 VAL 16 -8.668 11.605 1.766 167 3HG1 VAL 16 2HG1 VAL 16 -8.439 11.573 0.001 168 1HG2 VAL 16 1HG2 VAL 16 -7.225 8.390 2.505 169 2HG2 VAL 16 2HG2 VAL 16 -6.543 9.958 3.000 170 3HG2 VAL 16 3HG2 VAL 16 -8.304 9.707 3.023 171 MG1 VAL 16 QG1 VAL 16 -8.887 11.200 0.847 172 MG2 VAL 16 QG2 VAL 16 -7.357 9.352 2.843 173 QG VAL 16 QQG VAL 16 -8.122 10.276 1.845 174 HA PRO 17 HA PRO 17 -8.304 9.039 -3.934 175 1HB PRO 17 1HB PRO 17 -10.525 7.594 -4.604 176 2HB PRO 17 2HB PRO 17 -8.906 6.921 -4.608 177 1HG PRO 17 1HG PRO 17 -11.081 6.507 -2.650 178 2HG PRO 17 2HG PRO 17 -9.641 5.544 -2.911 179 1HD PRO 17 1HD PRO 17 -10.094 7.410 -0.780 180 2HD PRO 17 2HD PRO 17 -8.613 6.533 -1.108 181 QB PRO 17 QB PRO 17 -9.715 7.258 -4.606 182 QG PRO 17 QG PRO 17 -10.361 6.025 -2.780 183 QD PRO 17 QD PRO 17 -9.354 6.971 -0.944 184 H SER 18 H SER 18 -10.218 9.729 -5.536 185 HA SER 18 HA SER 18 -12.130 11.244 -4.028 186 1HB SER 18 1HB SER 18 -10.082 12.719 -4.203 187 2HB SER 18 2HB SER 18 -10.224 12.651 -5.948 188 HG SER 18 HG SER 18 -11.780 14.065 -4.063 189 QB SER 18 QB SER 18 -10.153 12.685 -5.076 190 H ASN 19 H ASN 19 -10.620 10.483 -7.227 191 HA ASN 19 HA ASN 19 -13.273 10.697 -8.396 192 1HB ASN 19 1HB ASN 19 -10.462 11.017 -9.433 193 2HB ASN 19 2HB ASN 19 -11.630 10.342 -10.553 194 1HD2 ASN 19 1HD2 ASN 19 -10.181 12.986 -10.263 195 2HD2 ASN 19 2HD2 ASN 19 -11.403 14.202 -10.426 196 QB ASN 19 QB ASN 19 -11.046 10.679 -9.993 197 QD ASN 19 QD2 ASN 19 -10.792 13.594 -10.344 198 H GLU 20 H GLU 20 -13.062 9.020 -10.601 199 HA GLU 20 HA GLU 20 -12.988 6.460 -9.325 200 1HB GLU 20 1HB GLU 20 -13.987 7.553 -11.946 201 2HB GLU 20 2HB GLU 20 -13.655 5.835 -11.854 202 1HG GLU 20 1HG GLU 20 -15.834 5.777 -11.093 203 2HG GLU 20 2HG GLU 20 -15.050 6.065 -9.552 204 QB GLU 20 QB GLU 20 -13.821 6.694 -11.900 205 QG GLU 20 QG GLU 20 -15.442 5.921 -10.322 206 H GLU 21 H GLU 21 -11.269 8.232 -11.960 207 HA GLU 21 HA GLU 21 -9.771 6.236 -12.971 208 1HB GLU 21 1HB GLU 21 -9.563 8.323 -14.032 209 2HB GLU 21 2HB GLU 21 -9.265 9.180 -12.532 210 1HG GLU 21 1HG GLU 21 -7.171 9.041 -13.791 211 2HG GLU 21 2HG GLU 21 -7.027 8.058 -12.347 212 QB GLU 21 QB GLU 21 -9.414 8.751 -13.282 213 QG GLU 21 QG GLU 21 -7.099 8.550 -13.069 214 H GLN 22 H GLN 22 -8.934 8.322 -10.114 215 HA GLN 22 HA GLN 22 -6.522 7.187 -9.560 216 1HB GLN 22 1HB GLN 22 -8.606 8.651 -7.983 217 2HB GLN 22 2HB GLN 22 -7.387 7.804 -7.054 218 1HG GLN 22 1HG GLN 22 -5.801 9.351 -7.564 219 2HG GLN 22 2HG GLN 22 -6.138 9.230 -9.280 220 1HE2 GLN 22 1HE2 GLN 22 -6.508 11.034 -6.421 221 2HE2 GLN 22 2HE2 GLN 22 -7.492 12.327 -7.021 222 QB GLN 22 QB GLN 22 -7.996 8.228 -7.519 223 QG GLN 22 QG GLN 22 -5.969 9.290 -8.422 224 QE GLN 22 QE2 GLN 22 -7.000 11.680 -6.721 225 H ILE 23 H ILE 23 -9.829 6.139 -8.563 226 HA ILE 23 HA ILE 23 -8.897 4.037 -6.914 227 HB ILE 23 HB ILE 23 -11.519 4.886 -8.071 228 1HG1 ILE 23 1HG1 ILE 23 -10.680 4.350 -5.210 229 2HG1 ILE 23 2HG1 ILE 23 -10.495 5.904 -5.997 230 1HG2 ILE 23 1HG2 ILE 23 -10.804 2.141 -7.314 231 2HG2 ILE 23 2HG2 ILE 23 -12.216 2.788 -6.446 232 3HG2 ILE 23 3HG2 ILE 23 -12.201 2.762 -8.225 233 1HD1 ILE 23 2HD1 ILE 23 -13.156 4.426 -5.795 234 2HD1 ILE 23 3HD1 ILE 23 -12.625 5.686 -4.656 235 3HD1 ILE 23 1HD1 ILE 23 -12.900 6.091 -6.367 236 MG ILE 23 QG2 ILE 23 -11.740 2.564 -7.329 237 MD ILE 23 QD1 ILE 23 -12.894 5.401 -5.606 238 QG ILE 23 QG1 ILE 23 -10.587 5.127 -5.604 239 H LYS 24 H LYS 24 -9.887 4.321 -10.362 240 HA LYS 24 HA LYS 24 -9.814 1.567 -10.888 241 1HB LYS 24 1HB LYS 24 -10.984 2.727 -12.482 242 2HB LYS 24 2HB LYS 24 -9.881 4.087 -12.483 243 1HG LYS 24 1HG LYS 24 -8.258 2.920 -13.815 244 2HG LYS 24 2HG LYS 24 -9.000 1.363 -13.509 245 1HD LYS 24 1HD LYS 24 -10.495 3.580 -14.966 246 2HD LYS 24 2HD LYS 24 -9.439 2.473 -15.821 247 1HE LYS 24 1HE LYS 24 -10.925 0.686 -14.349 248 2HE LYS 24 2HE LYS 24 -12.103 1.966 -14.563 249 1HZ LYS 24 2HZ LYS 24 -10.895 1.649 -16.995 250 2HZ LYS 24 3HZ LYS 24 -11.152 0.129 -16.455 251 3HZ LYS 24 1HZ LYS 24 -12.402 1.174 -16.580 252 QB LYS 24 QB LYS 24 -10.432 3.407 -12.482 253 QD LYS 24 QD LYS 24 -9.967 3.027 -15.393 254 QG LYS 24 QG LYS 24 -8.629 2.141 -13.662 255 QE LYS 24 QE LYS 24 -11.514 1.326 -14.456 256 QZ LYS 24 QZ LYS 24 -11.483 0.984 -16.676 257 H ASN 25 H ASN 25 -7.336 3.826 -10.117 258 HA ASN 25 HA ASN 25 -5.312 2.739 -11.721 259 1HB ASN 25 1HB ASN 25 -5.480 4.997 -10.271 260 2HB ASN 25 2HB ASN 25 -4.743 4.009 -9.025 261 1HD2 ASN 25 1HD2 ASN 25 -4.427 4.558 -12.536 262 2HD2 ASN 25 2HD2 ASN 25 -2.699 4.676 -12.584 263 QB ASN 25 QB ASN 25 -5.111 4.503 -9.648 264 QD ASN 25 QD2 ASN 25 -3.563 4.617 -12.560 265 H LEU 26 H LEU 26 -6.060 2.518 -8.152 266 HA LEU 26 HA LEU 26 -4.177 0.697 -7.425 267 1HB LEU 26 1HB LEU 26 -6.084 2.000 -6.145 268 2HB LEU 26 2HB LEU 26 -6.935 0.475 -6.301 269 HG LEU 26 HG LEU 26 -4.854 -0.610 -5.249 270 1HD1 LEU 26 3HD1 LEU 26 -4.079 2.216 -5.202 271 2HD1 LEU 26 1HD1 LEU 26 -3.936 1.408 -3.623 272 3HD1 LEU 26 2HD1 LEU 26 -3.090 0.744 -5.041 273 1HD2 LEU 26 3HD2 LEU 26 -7.003 -0.374 -4.102 274 2HD2 LEU 26 1HD2 LEU 26 -5.638 -0.140 -2.984 275 3HD2 LEU 26 2HD2 LEU 26 -6.551 1.267 -3.580 276 MD1 LEU 26 QD1 LEU 26 -3.701 1.456 -4.622 277 MD2 LEU 26 QD2 LEU 26 -6.397 0.251 -3.555 278 QB LEU 26 QB LEU 26 -6.509 1.238 -6.223 279 QD LEU 26 QQD LEU 26 -5.049 0.854 -4.089 280 H LEU 27 H LEU 27 -7.589 -0.118 -8.393 281 HA LEU 27 HA LEU 27 -7.426 -2.798 -8.384 282 1HB LEU 27 1HB LEU 27 -8.902 -0.812 -10.025 283 2HB LEU 27 2HB LEU 27 -8.917 -2.472 -10.585 284 HG LEU 27 HG LEU 27 -9.594 -1.917 -7.717 285 1HD1 LEU 27 3HD1 LEU 27 -11.017 -0.771 -9.954 286 2HD1 LEU 27 1HD1 LEU 27 -12.039 -1.951 -9.098 287 3HD1 LEU 27 2HD1 LEU 27 -11.308 -0.595 -8.206 288 1HD2 LEU 27 2HD2 LEU 27 -9.329 -4.236 -8.706 289 2HD2 LEU 27 3HD2 LEU 27 -10.861 -3.907 -7.861 290 3HD2 LEU 27 1HD2 LEU 27 -10.808 -3.907 -9.641 291 MD1 LEU 27 QD1 LEU 27 -11.455 -1.106 -9.086 292 MD2 LEU 27 QD2 LEU 27 -10.333 -4.017 -8.736 293 QB LEU 27 QB LEU 27 -8.909 -1.642 -10.305 294 QD LEU 27 QQD LEU 27 -10.894 -2.561 -8.911 295 H GLN 28 H GLN 28 -6.442 -0.671 -11.158 296 HA GLN 28 HA GLN 28 -5.608 -2.680 -12.801 297 1HB GLN 28 1HB GLN 28 -5.766 -0.024 -13.061 298 2HB GLN 28 2HB GLN 28 -4.052 -0.099 -12.707 299 1HG GLN 28 1HG GLN 28 -4.670 -2.173 -14.629 300 2HG GLN 28 2HG GLN 28 -5.375 -0.672 -15.196 301 1HE2 GLN 28 1HE2 GLN 28 -4.007 1.242 -15.249 302 2HE2 GLN 28 2HE2 GLN 28 -2.321 1.088 -15.616 303 QB GLN 28 QB GLN 28 -4.909 -0.061 -12.884 304 QG GLN 28 QG GLN 28 -5.023 -1.422 -14.913 305 QE GLN 28 QE2 GLN 28 -3.164 1.165 -15.432 306 H LEU 29 H LEU 29 -3.913 -1.075 -10.074 307 HA LEU 29 HA LEU 29 -1.395 -2.229 -10.615 308 1HB LEU 29 1HB LEU 29 -1.401 -0.283 -9.340 309 2HB LEU 29 2HB LEU 29 -2.668 -0.857 -8.274 310 HG LEU 29 HG LEU 29 -0.941 -2.628 -7.499 311 1HD1 LEU 29 3HD1 LEU 29 0.883 -0.631 -8.861 312 2HD1 LEU 29 1HD1 LEU 29 1.418 -1.829 -7.658 313 3HD1 LEU 29 2HD1 LEU 29 0.723 -2.370 -9.205 314 1HD2 LEU 29 1HD2 LEU 29 -1.746 -0.238 -6.488 315 2HD2 LEU 29 2HD2 LEU 29 -0.649 -1.369 -5.659 316 3HD2 LEU 29 3HD2 LEU 29 0.015 0.007 -6.572 317 MD1 LEU 29 QD1 LEU 29 1.008 -1.610 -8.574 318 MD2 LEU 29 QD2 LEU 29 -0.794 -0.534 -6.240 319 QB LEU 29 QB LEU 29 -2.035 -0.570 -8.807 320 QD LEU 29 QQD LEU 29 0.107 -1.072 -7.407 321 H GLU 30 H GLU 30 -3.821 -2.981 -8.009 322 HA GLU 30 HA GLU 30 -2.595 -5.276 -7.185 323 1HB GLU 30 1HB GLU 30 -4.684 -3.901 -6.281 324 2HB GLU 30 2HB GLU 30 -5.610 -5.079 -7.189 325 1HG GLU 30 1HG GLU 30 -3.565 -6.494 -5.715 326 2HG GLU 30 2HG GLU 30 -4.367 -5.396 -4.609 327 QB GLU 30 QB GLU 30 -5.147 -4.490 -6.735 328 QG GLU 30 QG GLU 30 -3.966 -5.945 -5.162 329 H ALA 31 H ALA 31 -4.342 -4.634 -10.134 330 HA ALA 31 HA ALA 31 -5.247 -7.260 -10.645 331 1HB ALA 31 1HB ALA 31 -4.945 -6.079 -13.107 332 2HB ALA 31 2HB ALA 31 -6.351 -5.847 -12.040 333 3HB ALA 31 3HB ALA 31 -5.029 -4.657 -12.040 334 MB ALA 31 QB ALA 31 -5.442 -5.528 -12.396 335 H GLN 32 H GLN 32 -2.213 -5.447 -11.287 336 HA GLN 32 HA GLN 32 -1.081 -7.192 -13.057 337 1HB GLN 32 1HB GLN 32 -0.065 -5.179 -11.086 338 2HB GLN 32 2HB GLN 32 1.114 -6.317 -11.708 339 1HG GLN 32 1HG GLN 32 -0.748 -4.683 -13.494 340 2HG GLN 32 2HG GLN 32 0.872 -4.170 -13.064 341 1HE2 GLN 32 1HE2 GLN 32 2.650 -5.173 -13.912 342 2HE2 GLN 32 2HE2 GLN 32 2.594 -6.301 -15.226 343 QB GLN 32 QB GLN 32 0.525 -5.748 -11.397 344 QG GLN 32 QG GLN 32 0.062 -4.427 -13.279 345 QE GLN 32 QE2 GLN 32 2.622 -5.737 -14.569 346 H GLU 33 H GLU 33 -1.345 -9.403 -12.644 347 HA GLU 33 HA GLU 33 -1.186 -10.597 -10.210 348 1HB GLU 33 1HB GLU 33 -1.820 -11.502 -12.610 349 2HB GLU 33 2HB GLU 33 -0.140 -11.993 -12.683 350 1HG GLU 33 1HG GLU 33 -0.494 -13.746 -11.278 351 2HG GLU 33 2HG GLU 33 -1.303 -12.731 -10.101 352 QB GLU 33 QB GLU 33 -0.980 -11.748 -12.646 353 QG GLU 33 QG GLU 33 -0.899 -13.238 -10.690 354 H HIS 34 H HIS 34 0.515 -9.807 -8.889 355 HA HIS 34 HA HIS 34 2.908 -11.199 -9.049 356 1HB HIS 34 1HB HIS 34 2.888 -8.551 -10.409 357 2HB HIS 34 2HB HIS 34 4.254 -8.886 -9.365 358 HD1 HIS 34 HD1 HIS 34 4.580 -11.952 -9.992 359 HD2 HIS 34 HD2 HIS 34 4.073 -8.940 -12.868 360 HE1 HIS 34 HE1 HIS 34 5.551 -12.868 -12.165 361 HE2 HIS 34 HE2 HIS 34 5.162 -10.995 -13.907 362 QB HIS 34 QB HIS 34 3.571 -8.719 -9.887 363 H LEU 35 H LEU 35 1.662 -7.903 -8.144 364 HA LEU 35 HA LEU 35 3.002 -7.934 -5.655 365 1HB LEU 35 1HB LEU 35 0.607 -6.231 -6.118 366 2HB LEU 35 2HB LEU 35 2.131 -5.848 -5.344 367 HG LEU 35 HG LEU 35 1.456 -5.899 -8.275 368 1HD1 LEU 35 1HD1 LEU 35 1.406 -3.862 -6.564 369 2HD1 LEU 35 2HD1 LEU 35 3.137 -3.809 -6.976 370 3HD1 LEU 35 3HD1 LEU 35 1.911 -3.669 -8.260 371 1HD2 LEU 35 1HD2 LEU 35 4.031 -6.641 -7.058 372 2HD2 LEU 35 2HD2 LEU 35 3.401 -6.928 -8.698 373 3HD2 LEU 35 3HD2 LEU 35 4.131 -5.357 -8.286 374 MD1 LEU 35 QD1 LEU 35 2.151 -3.780 -7.267 375 MD2 LEU 35 QD2 LEU 35 3.855 -6.308 -8.014 376 QB LEU 35 QB LEU 35 1.369 -6.039 -5.731 377 QD LEU 35 QQD LEU 35 3.003 -5.044 -7.640 378 H GLN 36 H GLN 36 -0.505 -8.298 -6.547 379 HA GLN 36 HA GLN 36 -2.123 -9.394 -5.601 380 1HB GLN 36 1HB GLN 36 0.238 -10.937 -4.598 381 2HB GLN 36 2HB GLN 36 -1.275 -11.210 -3.758 382 1HG GLN 36 1HG GLN 36 -2.402 -11.832 -5.837 383 2HG GLN 36 2HG GLN 36 -1.021 -11.342 -6.797 384 1HE2 GLN 36 1HE2 GLN 36 -2.467 -13.930 -6.402 385 2HE2 GLN 36 2HE2 GLN 36 -1.253 -15.105 -6.021 386 QB GLN 36 QB GLN 36 -0.518 -11.074 -4.178 387 QG GLN 36 QG GLN 36 -1.712 -11.587 -6.317 388 QE GLN 36 QE2 GLN 36 -1.860 -14.517 -6.212 389 H LEU 37 H LEU 37 -2.003 -6.954 -4.644 390 HA LEU 37 HA LEU 37 -1.651 -6.991 -1.771 391 1HB LEU 37 1HB LEU 37 -2.708 -4.630 -3.241 392 2HB LEU 37 2HB LEU 37 -1.623 -4.711 -1.867 393 HG LEU 37 HG LEU 37 -0.079 -5.857 -3.813 394 1HD1 LEU 37 2HD1 LEU 37 -2.077 -4.095 -5.147 395 2HD1 LEU 37 3HD1 LEU 37 -0.383 -3.981 -5.676 396 3HD1 LEU 37 1HD1 LEU 37 -1.234 -5.543 -5.747 397 1HD2 LEU 37 1HD2 LEU 37 -0.313 -2.970 -2.945 398 2HD2 LEU 37 2HD2 LEU 37 0.780 -4.227 -2.320 399 3HD2 LEU 37 3HD2 LEU 37 1.012 -3.583 -3.963 400 MD1 LEU 37 QD1 LEU 37 -1.231 -4.540 -5.523 401 MD2 LEU 37 QD2 LEU 37 0.493 -3.594 -3.076 402 QB LEU 37 QB LEU 37 -2.166 -4.671 -2.554 403 QD LEU 37 QQD LEU 37 -0.369 -4.067 -4.299 404 H ASP 38 H ASP 38 -3.339 -6.532 -0.254 405 HA ASP 38 HA ASP 38 -5.960 -7.148 -1.372 406 1HB ASP 38 1HB ASP 38 -4.535 -7.957 1.144 407 2HB ASP 38 2HB ASP 38 -6.257 -7.668 1.291 408 QB ASP 38 QB ASP 38 -5.396 -7.813 1.218 409 H PHE 39 H PHE 39 -7.491 -5.501 -1.131 410 HA PHE 39 HA PHE 39 -6.712 -3.157 0.348 411 1HB PHE 39 1HB PHE 39 -9.233 -3.950 -1.231 412 2HB PHE 39 2HB PHE 39 -8.872 -2.320 -0.702 413 HD1 PHE 39 HD1 PHE 39 -9.371 -3.363 -3.558 414 HD2 PHE 39 HD2 PHE 39 -5.827 -2.583 -1.360 415 HE1 PHE 39 HE1 PHE 39 -8.135 -2.941 -5.701 416 HE2 PHE 39 HE2 PHE 39 -4.589 -2.160 -3.503 417 HZ PHE 39 HZ PHE 39 -5.759 -2.345 -5.649 418 QB PHE 39 QB PHE 39 -9.052 -3.135 -0.966 419 QD PHE 39 QD PHE 39 -7.599 -2.973 -2.459 420 QE PHE 39 QE PHE 39 -6.362 -2.551 -4.602 421 QR PHE 39 QR PHE 39 -6.736 -2.678 -3.954 422 H TRP 40 H TRP 40 -7.294 -2.709 2.419 423 HA TRP 40 HA TRP 40 -8.961 -4.535 3.828 424 1HB TRP 40 1HB TRP 40 -7.597 -1.948 4.555 425 2HB TRP 40 2HB TRP 40 -8.641 -2.801 5.674 426 HD1 TRP 40 HD1 TRP 40 -6.897 -5.434 3.793 427 HE1 TRP 40 HE1 TRP 40 -4.796 -6.429 5.043 428 HE3 TRP 40 HE3 TRP 40 -6.543 -1.727 7.256 429 HZ2 TRP 40 HZ2 TRP 40 -3.256 -5.573 7.288 430 HZ3 TRP 40 HZ3 TRP 40 -4.712 -1.883 8.940 431 HH2 TRP 40 HH2 TRP 40 -3.103 -3.721 8.993 432 QB TRP 40 QB TRP 40 -8.119 -2.375 5.115 433 H LYS 41 H LYS 41 -9.224 -1.145 2.585 434 HA LYS 41 HA LYS 41 -12.116 -1.341 3.070 435 1HB LYS 41 1HB LYS 41 -10.167 0.889 3.472 436 2HB LYS 41 2HB LYS 41 -11.777 1.303 2.919 437 1HG LYS 41 1HG LYS 41 -12.712 -0.105 4.835 438 2HG LYS 41 2HG LYS 41 -11.073 -0.287 5.428 439 1HD LYS 41 1HD LYS 41 -11.691 1.590 6.643 440 2HD LYS 41 2HD LYS 41 -11.046 2.385 5.222 441 1HE LYS 41 1HE LYS 41 -13.081 3.242 4.671 442 2HE LYS 41 2HE LYS 41 -13.850 1.672 4.789 443 1HZ LYS 41 3HZ LYS 41 -13.132 3.139 7.209 444 2HZ LYS 41 1HZ LYS 41 -14.520 3.479 6.418 445 3HZ LYS 41 2HZ LYS 41 -14.267 1.981 7.016 446 QB LYS 41 QB LYS 41 -10.972 1.096 3.196 447 QD LYS 41 QD LYS 41 -11.369 1.988 5.932 448 QG LYS 41 QG LYS 41 -11.893 -0.196 5.131 449 QE LYS 41 QE LYS 41 -13.465 2.457 4.730 450 QZ LYS 41 QZ LYS 41 -13.973 2.866 6.881 451 H SER 42 H SER 42 -12.888 -2.107 1.135 452 HA SER 42 HA SER 42 -11.875 -1.910 -1.287 453 1HB SER 42 1HB SER 42 -14.165 -2.072 -2.184 454 2HB SER 42 2HB SER 42 -13.995 -3.063 -0.749 455 HG SER 42 HG SER 42 -14.989 -0.358 -0.599 456 QB SER 42 QB SER 42 -14.080 -2.568 -1.466 457 HA PRO 43 HA PRO 43 -11.816 2.521 -1.730 458 1HB PRO 43 1HB PRO 43 -9.746 2.630 -3.512 459 2HB PRO 43 2HB PRO 43 -9.519 2.670 -1.774 460 1HG PRO 43 1HG PRO 43 -9.032 0.443 -3.657 461 2HG PRO 43 2HG PRO 43 -8.428 0.653 -2.025 462 1HD PRO 43 1HD PRO 43 -10.558 -1.079 -2.855 463 2HD PRO 43 2HD PRO 43 -10.029 -0.782 -1.212 464 QB PRO 43 QB PRO 43 -9.632 2.650 -2.643 465 QG PRO 43 QG PRO 43 -8.730 0.548 -2.841 466 QD PRO 43 QD PRO 43 -10.294 -0.931 -2.033 467 H THR 44 H THR 44 -12.889 0.106 -3.605 468 HA THR 44 HA THR 44 -13.047 0.933 -6.151 469 HB THR 44 HB THR 44 -14.944 -0.426 -4.233 470 HG1 THR 44 HG1 THR 44 -13.494 -1.816 -5.233 471 1HG2 THR 44 1HG2 THR 44 -15.663 0.739 -6.922 472 2HG2 THR 44 2HG2 THR 44 -16.170 -0.936 -6.594 473 3HG2 THR 44 3HG2 THR 44 -16.715 0.384 -5.531 474 MG THR 44 QG2 THR 44 -16.183 0.062 -6.349 475 H THR 45 H THR 45 -14.521 2.546 -3.362 476 HA THR 45 HA THR 45 -15.497 4.597 -5.237 477 HB THR 45 HB THR 45 -17.505 4.793 -3.937 478 HG1 THR 45 HG1 THR 45 -17.488 3.515 -1.833 479 1HG2 THR 45 1HG2 THR 45 -17.176 2.456 -5.160 480 2HG2 THR 45 2HG2 THR 45 -16.992 1.831 -3.504 481 3HG2 THR 45 3HG2 THR 45 -18.501 2.643 -3.986 482 MG THR 45 QG2 THR 45 -17.556 2.310 -4.217 483 HA PRO 46 HA PRO 46 -13.204 7.374 -2.909 484 1HB PRO 46 1HB PRO 46 -14.548 9.717 -3.325 485 2HB PRO 46 2HB PRO 46 -13.444 9.024 -4.497 486 1HG PRO 46 1HG PRO 46 -16.399 9.077 -4.542 487 2HG PRO 46 2HG PRO 46 -15.286 8.785 -5.863 488 1HD PRO 46 1HD PRO 46 -16.827 6.820 -4.450 489 2HD PRO 46 2HD PRO 46 -15.629 6.517 -5.693 490 QB PRO 46 QB PRO 46 -13.996 9.370 -3.911 491 QG PRO 46 QG PRO 46 -15.842 8.931 -5.202 492 QD PRO 46 QD PRO 46 -16.228 6.669 -5.071 493 H GLY 47 H GLY 47 -13.682 9.563 -1.403 494 1HA GLY 47 2HA GLY 47 -15.828 9.479 0.319 495 2HA GLY 47 1HA GLY 47 -14.234 10.095 0.711 496 QA GLY 47 QA GLY 47 -15.031 9.787 0.515 497 H GLU 48 H GLU 48 -13.152 7.222 0.015 498 HA GLU 48 HA GLU 48 -13.665 6.223 2.686 499 1HB GLU 48 1HB GLU 48 -14.011 4.664 0.101 500 2HB GLU 48 2HB GLU 48 -13.696 3.851 1.621 501 1HG GLU 48 1HG GLU 48 -15.862 5.908 1.713 502 2HG GLU 48 2HG GLU 48 -16.209 4.510 0.715 503 QB GLU 48 QB GLU 48 -13.854 4.258 0.861 504 QG GLU 48 QG GLU 48 -16.036 5.209 1.214 505 H THR 49 H THR 49 -11.739 5.895 3.710 506 HA THR 49 HA THR 49 -9.311 6.018 2.188 507 HB THR 49 HB THR 49 -8.389 5.693 4.608 508 HG1 THR 49 HG1 THR 49 -10.010 5.405 6.127 509 1HG2 THR 49 2HG2 THR 49 -9.441 7.975 3.364 510 2HG2 THR 49 3HG2 THR 49 -10.341 7.904 4.898 511 3HG2 THR 49 1HG2 THR 49 -8.562 7.965 4.912 512 MG THR 49 QG2 THR 49 -9.448 7.948 4.392 513 H ALA 50 H ALA 50 -7.738 4.437 1.876 514 HA ALA 50 HA ALA 50 -8.729 1.708 2.352 515 1HB ALA 50 1HB ALA 50 -8.175 1.156 0.217 516 2HB ALA 50 2HB ALA 50 -8.290 2.908 -0.073 517 3HB ALA 50 3HB ALA 50 -6.705 2.159 0.233 518 MB ALA 50 QB ALA 50 -7.723 2.074 0.126 519 H HIS 51 H HIS 51 -7.085 0.086 2.867 520 HA HIS 51 HA HIS 51 -4.473 1.096 3.545 521 1HB HIS 51 1HB HIS 51 -5.852 -0.314 5.783 522 2HB HIS 51 2HB HIS 51 -4.542 0.850 5.823 523 HD1 HIS 51 HD1 HIS 51 -8.085 0.563 6.489 524 HD2 HIS 51 HD2 HIS 51 -5.546 3.614 5.133 525 HE1 HIS 51 HE1 HIS 51 -9.339 2.753 6.859 526 HE2 HIS 51 HE2 HIS 51 -7.708 4.596 6.058 527 QB HIS 51 QB HIS 51 -5.197 0.268 5.803 528 H VAL 52 H VAL 52 -3.509 -0.348 2.128 529 HA VAL 52 HA VAL 52 -4.115 -3.181 2.627 530 HB VAL 52 HB VAL 52 -4.736 -2.939 0.458 531 1HG1 VAL 52 2HG1 VAL 52 -2.616 -0.788 0.149 532 2HG1 VAL 52 3HG1 VAL 52 -3.664 -1.371 -1.167 533 3HG1 VAL 52 1HG1 VAL 52 -4.380 -0.560 0.246 534 1HG2 VAL 52 1HG2 VAL 52 -2.544 -4.376 0.764 535 2HG2 VAL 52 2HG2 VAL 52 -3.211 -4.064 -0.857 536 3HG2 VAL 52 3HG2 VAL 52 -1.829 -3.112 -0.265 537 MG1 VAL 52 QG1 VAL 52 -3.553 -0.906 -0.258 538 MG2 VAL 52 QG2 VAL 52 -2.528 -3.851 -0.119 539 QG VAL 52 QQG VAL 52 -3.041 -2.378 -0.189 540 H ARG 53 H ARG 53 -2.342 -4.644 2.806 541 HA ARG 53 HA ARG 53 -0.028 -3.352 3.849 542 1HB ARG 53 1HB ARG 53 -0.585 -6.337 3.470 543 2HB ARG 53 2HB ARG 53 0.672 -5.649 4.479 544 1HG ARG 53 1HG ARG 53 -1.261 -4.396 5.714 545 2HG ARG 53 2HG ARG 53 -2.340 -5.504 4.889 546 1HD ARG 53 1HD ARG 53 0.030 -6.706 6.306 547 2HD ARG 53 2HD ARG 53 -1.259 -6.069 7.308 548 HE ARG 53 HE ARG 53 -2.280 -7.744 5.151 549 1HH1 ARG 53 2HH1 ARG 53 -3.192 -9.769 5.689 550 2HH1 ARG 53 1HH1 ARG 53 -2.895 -10.466 7.247 551 1HH2 ARG 53 2HH2 ARG 53 -0.881 -7.807 8.379 552 2HH2 ARG 53 1HH2 ARG 53 -1.572 -9.343 8.787 553 QB ARG 53 QB ARG 53 0.044 -5.993 3.975 554 QG ARG 53 QG ARG 53 -1.800 -4.950 5.301 555 QD ARG 53 QD ARG 53 -0.614 -6.388 6.807 556 QH1 ARG 53 QH1 ARG 53 -3.043 -10.117 6.468 557 QH2 ARG 53 QH2 ARG 53 -1.227 -8.575 8.583 558 H VAL 54 H VAL 54 0.933 -2.375 1.943 559 HA VAL 54 HA VAL 54 1.573 -4.076 -0.289 560 HB VAL 54 HB VAL 54 2.133 -1.187 0.392 561 1HG1 VAL 54 1HG1 VAL 54 3.866 -2.432 -1.110 562 2HG1 VAL 54 2HG1 VAL 54 2.582 -2.365 -2.342 563 3HG1 VAL 54 3HG1 VAL 54 3.220 -0.860 -1.638 564 1HG2 VAL 54 2HG2 VAL 54 -0.029 -2.637 -0.995 565 2HG2 VAL 54 3HG2 VAL 54 -0.026 -1.029 -0.230 566 3HG2 VAL 54 1HG2 VAL 54 0.605 -1.230 -1.882 567 MG1 VAL 54 QG1 VAL 54 3.223 -1.886 -1.697 568 MG2 VAL 54 QG2 VAL 54 0.183 -1.632 -1.036 569 QG VAL 54 QQG VAL 54 1.703 -1.759 -1.366 570 HA PRO 55 HA PRO 55 5.473 -5.226 1.190 571 1HB PRO 55 1HB PRO 55 6.643 -6.067 -1.133 572 2HB PRO 55 2HB PRO 55 5.533 -7.057 -0.204 573 1HG PRO 55 1HG PRO 55 5.054 -5.616 -2.741 574 2HG PRO 55 2HG PRO 55 4.129 -6.925 -2.030 575 1HD PRO 55 1HD PRO 55 3.432 -4.142 -2.047 576 2HD PRO 55 2HD PRO 55 2.568 -5.434 -1.237 577 QB PRO 55 QB PRO 55 6.088 -6.562 -0.669 578 QG PRO 55 QG PRO 55 4.592 -6.271 -2.385 579 QD PRO 55 QD PRO 55 3.000 -4.788 -1.642 580 H PHE 56 H PHE 56 7.348 -4.301 1.814 581 HA PHE 56 HA PHE 56 7.827 -1.711 1.163 582 1HB PHE 56 1HB PHE 56 8.859 -3.490 2.886 583 2HB PHE 56 2HB PHE 56 10.057 -3.751 1.634 584 HD1 PHE 56 HD1 PHE 56 8.427 -0.756 3.178 585 HD2 PHE 56 HD2 PHE 56 12.039 -2.665 2.028 586 HE1 PHE 56 HE1 PHE 56 9.737 1.213 4.021 587 HE2 PHE 56 HE2 PHE 56 13.347 -0.696 2.869 588 HZ PHE 56 HZ PHE 56 12.182 1.220 3.856 589 QB PHE 56 QB PHE 56 9.458 -3.621 2.260 590 QD PHE 56 QD PHE 56 10.233 -1.710 2.603 591 QE PHE 56 QE PHE 56 11.542 0.258 3.445 592 QR PHE 56 QR PHE 56 11.146 -0.337 3.190 593 H VAL 57 H VAL 57 8.964 -4.673 -0.527 594 HA VAL 57 HA VAL 57 10.807 -3.368 -2.194 595 HB VAL 57 HB VAL 57 11.007 -5.684 -1.907 596 1HG1 VAL 57 2HG1 VAL 57 8.060 -5.758 -2.497 597 2HG1 VAL 57 3HG1 VAL 57 9.058 -7.200 -2.806 598 3HG1 VAL 57 1HG1 VAL 57 8.975 -6.509 -1.167 599 1HG2 VAL 57 3HG2 VAL 57 11.473 -4.898 -4.204 600 2HG2 VAL 57 1HG2 VAL 57 10.923 -6.590 -4.170 601 3HG2 VAL 57 2HG2 VAL 57 9.802 -5.301 -4.669 602 MG1 VAL 57 QG1 VAL 57 8.698 -6.489 -2.157 603 MG2 VAL 57 QG2 VAL 57 10.733 -5.596 -4.348 604 QG VAL 57 QQG VAL 57 9.715 -6.042 -3.252 605 H ASN 58 H ASN 58 7.322 -3.435 -2.092 606 HA ASN 58 HA ASN 58 7.246 -2.495 -4.843 607 1HB ASN 58 1HB ASN 58 5.723 -4.411 -4.184 608 2HB ASN 58 2HB ASN 58 4.952 -3.367 -3.006 609 1HD2 ASN 58 1HD2 ASN 58 2.960 -3.518 -3.974 610 2HD2 ASN 58 2HD2 ASN 58 2.551 -2.733 -5.462 611 QB ASN 58 QB ASN 58 5.338 -3.889 -3.595 612 QD ASN 58 QD2 ASN 58 2.756 -3.125 -4.718 613 H VAL 59 H VAL 59 7.029 -1.611 -1.474 614 HA VAL 59 HA VAL 59 5.221 0.397 -1.345 615 HB VAL 59 HB VAL 59 7.849 -0.174 -0.077 616 1HG1 VAL 59 2HG1 VAL 59 6.429 2.493 0.124 617 2HG1 VAL 59 3HG1 VAL 59 7.544 1.891 1.373 618 3HG1 VAL 59 1HG1 VAL 59 8.133 2.177 -0.282 619 1HG2 VAL 59 2HG2 VAL 59 5.039 0.299 0.973 620 2HG2 VAL 59 3HG2 VAL 59 5.846 -1.272 0.750 621 3HG2 VAL 59 1HG2 VAL 59 6.449 -0.127 1.973 622 MG1 VAL 59 QG1 VAL 59 7.368 2.187 0.405 623 MG2 VAL 59 QG2 VAL 59 5.778 -0.367 1.232 624 QG VAL 59 QQG VAL 59 6.573 0.910 0.819 625 H GLN 60 H GLN 60 8.625 0.622 -2.572 626 HA GLN 60 HA GLN 60 8.517 3.321 -3.127 627 1HB GLN 60 1HB GLN 60 10.492 1.535 -3.148 628 2HB GLN 60 2HB GLN 60 10.123 1.438 -4.858 629 1HG GLN 60 1HG GLN 60 11.367 3.306 -5.176 630 2HG GLN 60 2HG GLN 60 10.152 4.214 -4.298 631 1HE2 GLN 60 1HE2 GLN 60 12.341 5.368 -3.990 632 2HE2 GLN 60 2HE2 GLN 60 13.194 5.017 -2.524 633 QB GLN 60 QB GLN 60 10.308 1.486 -4.003 634 QG GLN 60 QG GLN 60 10.760 3.760 -4.737 635 QE GLN 60 QE2 GLN 60 12.767 5.192 -3.257 636 H ALA 61 H ALA 61 8.417 0.633 -5.584 637 HA ALA 61 HA ALA 61 7.640 2.093 -7.727 638 1HB ALA 61 1HB ALA 61 6.904 0.014 -8.671 639 2HB ALA 61 2HB ALA 61 8.244 -0.374 -7.568 640 3HB ALA 61 3HB ALA 61 6.563 -0.670 -7.064 641 MB ALA 61 QB ALA 61 7.237 -0.343 -7.768 642 H VAL 62 H VAL 62 5.708 1.106 -4.907 643 HA VAL 62 HA VAL 62 3.215 1.765 -6.138 644 HB VAL 62 HB VAL 62 4.062 1.201 -3.294 645 1HG1 VAL 62 2HG1 VAL 62 1.452 2.084 -4.425 646 2HG1 VAL 62 3HG1 VAL 62 1.410 0.759 -3.237 647 3HG1 VAL 62 1HG1 VAL 62 2.142 2.321 -2.801 648 1HG2 VAL 62 1HG2 VAL 62 3.776 -0.509 -5.468 649 2HG2 VAL 62 2HG2 VAL 62 3.777 -0.972 -3.749 650 3HG2 VAL 62 3HG2 VAL 62 2.236 -0.674 -4.591 651 MG1 VAL 62 QG1 VAL 62 1.668 1.721 -3.488 652 MG2 VAL 62 QG2 VAL 62 3.263 -0.718 -4.603 653 QG VAL 62 QQG VAL 62 2.466 0.501 -4.045 654 H LYS 63 H LYS 63 5.560 3.344 -3.901 655 HA LYS 63 HA LYS 63 3.999 5.575 -3.328 656 1HB LYS 63 1HB LYS 63 6.938 4.956 -3.256 657 2HB LYS 63 2HB LYS 63 6.397 6.600 -2.986 658 1HG LYS 63 1HG LYS 63 4.678 4.877 -1.450 659 2HG LYS 63 2HG LYS 63 6.326 4.358 -1.157 660 1HD LYS 63 1HD LYS 63 6.966 6.419 -0.226 661 2HD LYS 63 2HD LYS 63 5.746 7.320 -1.105 662 1HE LYS 63 1HE LYS 63 4.795 7.315 1.027 663 2HE LYS 63 2HE LYS 63 4.040 5.885 0.353 664 1HZ LYS 63 3HZ LYS 63 6.228 4.819 1.309 665 2HZ LYS 63 1HZ LYS 63 6.116 6.077 2.345 666 3HZ LYS 63 2HZ LYS 63 4.885 5.010 2.221 667 QB LYS 63 QB LYS 63 6.667 5.778 -3.121 668 QD LYS 63 QD LYS 63 6.356 6.870 -0.666 669 QG LYS 63 QG LYS 63 5.502 4.617 -1.304 670 QE LYS 63 QE LYS 63 4.418 6.600 0.690 671 QZ LYS 63 QZ LYS 63 5.743 5.302 1.958 672 H VAL 64 H VAL 64 5.979 4.694 -6.151 673 HA VAL 64 HA VAL 64 5.903 7.345 -7.235 674 HB VAL 64 HB VAL 64 6.818 4.641 -8.186 675 1HG1 VAL 64 3HG1 VAL 64 5.810 5.828 -10.117 676 2HG1 VAL 64 1HG1 VAL 64 6.892 7.207 -9.810 677 3HG1 VAL 64 2HG1 VAL 64 7.572 5.630 -10.277 678 1HG2 VAL 64 2HG2 VAL 64 8.191 5.986 -6.562 679 2HG2 VAL 64 3HG2 VAL 64 9.014 5.600 -8.092 680 3HG2 VAL 64 1HG2 VAL 64 8.354 7.232 -7.823 681 MG1 VAL 64 QG1 VAL 64 6.758 6.222 -10.068 682 MG2 VAL 64 QG2 VAL 64 8.519 6.273 -7.492 683 QG VAL 64 QQG VAL 64 7.639 6.247 -8.780 684 H PHE 65 H PHE 65 3.982 4.349 -7.403 685 HA PHE 65 HA PHE 65 2.551 5.012 -9.721 686 1HB PHE 65 1HB PHE 65 2.798 2.777 -8.397 687 2HB PHE 65 2HB PHE 65 1.660 3.433 -7.236 688 HD1 PHE 65 HD1 PHE 65 1.840 3.160 -10.966 689 HD2 PHE 65 HD2 PHE 65 -0.471 2.613 -7.450 690 HE1 PHE 65 HE1 PHE 65 -0.068 2.304 -12.354 691 HE2 PHE 65 HE2 PHE 65 -2.380 1.757 -8.838 692 HZ PHE 65 HZ PHE 65 -2.155 1.614 -11.274 693 QB PHE 65 QB PHE 65 2.229 3.105 -7.817 694 QD PHE 65 QD PHE 65 0.684 2.886 -9.208 695 QE PHE 65 QE PHE 65 -1.224 2.031 -10.596 696 QR PHE 65 QR PHE 65 -0.647 2.290 -10.176 697 H LEU 66 H LEU 66 1.651 5.279 -6.203 698 HA LEU 66 HA LEU 66 -0.800 6.407 -6.492 699 1HB LEU 66 1HB LEU 66 1.359 6.744 -4.432 700 2HB LEU 66 2HB LEU 66 -0.160 7.607 -4.291 701 HG LEU 66 HG LEU 66 -0.611 4.780 -4.806 702 1HD1 LEU 66 1HD1 LEU 66 1.686 4.923 -3.513 703 2HD1 LEU 66 2HD1 LEU 66 0.620 5.206 -2.116 704 3HD1 LEU 66 3HD1 LEU 66 0.449 3.719 -3.079 705 1HD2 LEU 66 2HD2 LEU 66 -1.464 6.840 -2.794 706 2HD2 LEU 66 3HD2 LEU 66 -2.433 5.942 -3.987 707 3HD2 LEU 66 1HD2 LEU 66 -1.829 5.117 -2.529 708 MD1 LEU 66 QD1 LEU 66 0.918 4.616 -2.903 709 MD2 LEU 66 QD2 LEU 66 -1.909 5.967 -3.103 710 QB LEU 66 QB LEU 66 0.600 7.175 -4.362 711 QD LEU 66 QQD LEU 66 -0.495 5.291 -3.003 712 H GLU 67 H GLU 67 2.360 8.189 -6.278 713 HA GLU 67 HA GLU 67 1.277 10.682 -6.632 714 1HB GLU 67 1HB GLU 67 3.976 9.437 -6.986 715 2HB GLU 67 2HB GLU 67 3.739 10.992 -7.759 716 1HG GLU 67 1HG GLU 67 2.789 10.705 -4.915 717 2HG GLU 67 2HG GLU 67 4.520 10.768 -5.180 718 QB GLU 67 QB GLU 67 3.857 10.214 -7.373 719 QG GLU 67 QG GLU 67 3.654 10.736 -5.048 720 H SER 68 H SER 68 2.496 8.303 -9.072 721 HA SER 68 HA SER 68 2.287 9.880 -11.279 722 1HB SER 68 1HB SER 68 2.553 7.917 -12.502 723 2HB SER 68 2HB SER 68 3.108 7.391 -10.925 724 HG SER 68 HG SER 68 0.568 6.885 -12.190 725 QB SER 68 QB SER 68 2.831 7.654 -11.713 726 H GLN 69 H GLN 69 -0.234 7.907 -9.605 727 HA GLN 69 HA GLN 69 -2.193 8.624 -11.545 728 1HB GLN 69 1HB GLN 69 -3.746 7.364 -10.052 729 2HB GLN 69 2HB GLN 69 -2.318 6.436 -10.466 730 1HG GLN 69 1HG GLN 69 -1.284 6.932 -8.300 731 2HG GLN 69 2HG GLN 69 -2.560 8.063 -7.895 732 1HE2 GLN 69 1HE2 GLN 69 -4.844 6.888 -8.516 733 2HE2 GLN 69 2HE2 GLN 69 -5.097 5.409 -7.652 734 QB GLN 69 QB GLN 69 -3.032 6.900 -10.259 735 QG GLN 69 QG GLN 69 -1.922 7.497 -8.098 736 QE GLN 69 QE2 GLN 69 -4.971 6.149 -8.084 737 H GLY 70 H GLY 70 -0.650 10.551 -9.499 738 1HA GLY 70 2HA GLY 70 -2.457 12.606 -9.431 739 2HA GLY 70 1HA GLY 70 -1.117 12.410 -8.318 740 QA GLY 70 QA GLY 70 -1.787 12.508 -8.875 741 H ILE 71 H ILE 71 -1.733 10.246 -6.753 742 HA ILE 71 HA ILE 71 -4.387 10.902 -5.681 743 HB ILE 71 HB ILE 71 -3.962 8.584 -6.599 744 1HG1 ILE 71 1HG1 ILE 71 -4.684 8.336 -3.711 745 2HG1 ILE 71 2HG1 ILE 71 -5.626 9.444 -4.690 746 1HG2 ILE 71 1HG2 ILE 71 -1.612 8.605 -5.391 747 2HG2 ILE 71 2HG2 ILE 71 -2.559 7.933 -4.041 748 3HG2 ILE 71 3HG2 ILE 71 -2.532 7.097 -5.613 749 1HD1 ILE 71 2HD1 ILE 71 -5.564 7.322 -6.394 750 2HD1 ILE 71 3HD1 ILE 71 -5.437 6.463 -4.840 751 3HD1 ILE 71 1HD1 ILE 71 -6.824 7.534 -5.155 752 MG ILE 71 QG2 ILE 71 -2.234 7.879 -5.015 753 MD ILE 71 QD1 ILE 71 -5.942 7.106 -5.463 754 QG ILE 71 QG1 ILE 71 -5.155 8.890 -4.201 755 H ALA 72 H ALA 72 -4.351 10.171 -3.148 756 HA ALA 72 HA ALA 72 -1.913 11.336 -1.998 757 1HB ALA 72 1HB ALA 72 -3.672 13.055 -2.067 758 2HB ALA 72 2HB ALA 72 -4.801 11.950 -1.246 759 3HB ALA 72 3HB ALA 72 -3.359 12.548 -0.390 760 MB ALA 72 QB ALA 72 -3.944 12.518 -1.234 761 H TYR 73 H TYR 73 -0.983 9.965 -0.565 762 HA TYR 73 HA TYR 73 -2.763 8.080 0.820 763 1HB TYR 73 1HB TYR 73 -0.548 6.607 0.573 764 2HB TYR 73 2HB TYR 73 -1.619 6.734 -0.809 765 HD1 TYR 73 HD1 TYR 73 1.720 6.992 0.249 766 HD2 TYR 73 HD2 TYR 73 -1.085 8.797 -2.430 767 HE1 TYR 73 HE1 TYR 73 3.635 7.894 -1.159 768 HE2 TYR 73 HE2 TYR 73 0.840 9.694 -3.830 769 HH TYR 73 HH TYR 73 3.844 8.549 -3.702 770 QB TYR 73 QB TYR 73 -1.084 6.671 -0.118 771 QD TYR 73 QD TYR 73 0.318 7.895 -1.090 772 QE TYR 73 QE TYR 73 2.238 8.794 -2.494 773 QR TYR 73 QR TYR 73 1.278 8.344 -1.792 774 H SER 74 H SER 74 -0.891 6.836 2.446 775 HA SER 74 HA SER 74 0.802 8.770 3.630 776 1HB SER 74 1HB SER 74 -1.702 9.172 4.457 777 2HB SER 74 2HB SER 74 -1.369 7.799 5.493 778 HG SER 74 HG SER 74 -0.066 10.366 5.433 779 QB SER 74 QB SER 74 -1.535 8.486 4.975 780 H ILE 75 H ILE 75 1.952 7.785 5.600 781 HA ILE 75 HA ILE 75 2.151 4.902 5.165 782 HB ILE 75 HB ILE 75 4.051 6.822 6.515 783 1HG1 ILE 75 1HG1 ILE 75 5.419 6.220 4.384 784 2HG1 ILE 75 2HG1 ILE 75 3.869 5.787 3.692 785 1HG2 ILE 75 2HG2 ILE 75 3.973 4.270 7.127 786 2HG2 ILE 75 3HG2 ILE 75 4.805 4.084 5.565 787 3HG2 ILE 75 1HG2 ILE 75 5.527 5.094 6.842 788 1HD1 ILE 75 2HD1 ILE 75 3.806 8.380 5.115 789 2HD1 ILE 75 3HD1 ILE 75 4.939 8.348 3.743 790 3HD1 ILE 75 1HD1 ILE 75 3.220 7.963 3.487 791 MG ILE 75 QG2 ILE 75 4.768 4.483 6.511 792 MD ILE 75 QD1 ILE 75 3.988 8.231 4.115 793 QG ILE 75 QG1 ILE 75 4.644 6.004 4.038 794 H MET 76 H MET 76 1.173 3.557 6.571 795 HA MET 76 HA MET 76 0.210 4.683 9.030 796 1HB MET 76 1HB MET 76 -0.918 2.956 7.295 797 2HB MET 76 2HB MET 76 -0.057 1.760 8.242 798 1HG MET 76 1HG MET 76 -1.778 3.854 9.618 799 2HG MET 76 2HG MET 76 -2.509 2.410 8.945 800 1HE MET 76 1HE MET 76 -2.421 3.669 11.624 801 2HE MET 76 2HE MET 76 -2.796 2.119 12.416 802 3HE MET 76 3HE MET 76 -1.327 3.016 12.868 803 QB MET 76 QB MET 76 -0.488 2.358 7.768 804 QG MET 76 QG MET 76 -2.143 3.132 9.282 805 ME MET 76 QE MET 76 -2.181 2.935 12.303 806 H ILE 77 H ILE 77 1.875 1.547 8.213 807 HA ILE 77 HA ILE 77 3.403 1.899 10.699 808 HB ILE 77 HB ILE 77 1.749 0.177 10.985 809 1HG1 ILE 77 1HG1 ILE 77 3.249 -1.747 11.498 810 2HG1 ILE 77 2HG1 ILE 77 4.541 -0.950 10.624 811 1HG2 ILE 77 2HG2 ILE 77 2.243 -0.382 8.250 812 2HG2 ILE 77 3HG2 ILE 77 2.659 -1.845 9.173 813 3HG2 ILE 77 1HG2 ILE 77 1.041 -1.122 9.336 814 1HD1 ILE 77 1HD1 ILE 77 3.401 0.961 12.465 815 2HD1 ILE 77 2HD1 ILE 77 3.748 -0.545 13.347 816 3HD1 ILE 77 3HD1 ILE 77 5.046 0.282 12.452 817 MG ILE 77 QG2 ILE 77 1.981 -1.116 8.920 818 MD ILE 77 QD1 ILE 77 4.065 0.233 12.755 819 QG ILE 77 QG1 ILE 77 3.895 -1.348 11.061 820 H GLU 78 H GLU 78 5.579 0.862 10.670 821 HA GLU 78 HA GLU 78 6.573 0.473 7.977 822 1HB GLU 78 1HB GLU 78 6.910 2.911 8.986 823 2HB GLU 78 2HB GLU 78 8.207 2.150 9.886 824 1HG GLU 78 1HG GLU 78 8.707 1.149 7.374 825 2HG GLU 78 2HG GLU 78 7.995 2.695 6.956 826 QB GLU 78 QB GLU 78 7.558 2.531 9.436 827 QG GLU 78 QG GLU 78 8.351 1.922 7.165 828 H ASP 79 H ASP 79 9.386 0.669 9.346 829 HA ASP 79 HA ASP 79 9.439 -2.093 10.020 830 1HB ASP 79 1HB ASP 79 11.429 0.119 9.605 831 2HB ASP 79 2HB ASP 79 11.952 -1.216 10.614 832 QB ASP 79 QB ASP 79 11.691 -0.548 10.109 833 H VAL 80 H VAL 80 7.940 -1.723 11.984 834 HA VAL 80 HA VAL 80 9.264 -0.410 14.221 835 HB VAL 80 HB VAL 80 6.804 -0.120 13.473 836 1HG1 VAL 80 2HG1 VAL 80 6.531 -2.713 13.500 837 2HG1 VAL 80 3HG1 VAL 80 6.310 -2.500 15.255 838 3HG1 VAL 80 1HG1 VAL 80 5.209 -1.690 14.113 839 1HG2 VAL 80 2HG2 VAL 80 7.881 0.744 15.576 840 2HG2 VAL 80 3HG2 VAL 80 6.140 0.403 15.719 841 3HG2 VAL 80 1HG2 VAL 80 7.327 -0.736 16.398 842 MG1 VAL 80 QG1 VAL 80 6.017 -2.301 14.289 843 MG2 VAL 80 QG2 VAL 80 7.116 0.137 15.898 844 QG VAL 80 QQG VAL 80 6.566 -1.082 15.094 845 H GLN 81 H GLN 81 10.644 -1.596 15.430 846 HA GLN 81 HA GLN 81 11.180 -4.171 15.223 847 1HB GLN 81 1HB GLN 81 12.101 -4.085 17.498 848 2HB GLN 81 2HB GLN 81 12.407 -2.571 16.670 849 1HG GLN 81 1HG GLN 81 9.904 -2.147 17.869 850 2HG GLN 81 2HG GLN 81 10.762 -3.097 19.065 851 1HE2 GLN 81 1HE2 GLN 81 9.964 -0.395 19.320 852 2HE2 GLN 81 2HE2 GLN 81 11.372 0.596 19.507 853 QB GLN 81 QB GLN 81 12.254 -3.328 17.084 854 QG GLN 81 QG GLN 81 10.333 -2.622 18.467 855 QE GLN 81 QE2 GLN 81 10.668 0.100 19.413 No H/Q in entry = 855 Start of MODEL 6 1 H MET 1 H MET 1 35.813 -13.857 1.930 2 HA MET 1 HA MET 1 35.421 -16.514 1.676 3 1HB MET 1 1HB MET 1 36.016 -14.863 4.193 4 2HB MET 1 2HB MET 1 36.248 -16.597 4.105 5 1HG MET 1 1HG MET 1 38.046 -16.421 2.577 6 2HG MET 1 2HG MET 1 37.539 -14.847 1.998 7 1HE MET 1 1HE MET 1 40.230 -16.096 2.905 8 2HE MET 1 2HE MET 1 41.034 -15.185 4.207 9 3HE MET 1 3HE MET 1 40.024 -16.596 4.601 10 QB MET 1 QB MET 1 36.132 -15.730 4.149 11 QG MET 1 QG MET 1 37.792 -15.634 2.288 12 ME MET 1 QE MET 1 40.430 -15.959 3.904 13 H ARG 2 H ARG 2 33.335 -14.139 3.271 14 HA ARG 2 HA ARG 2 31.490 -16.305 3.787 15 1HB ARG 2 1HB ARG 2 32.820 -15.489 5.914 16 2HB ARG 2 2HB ARG 2 31.817 -14.055 5.811 17 1HG ARG 2 1HG ARG 2 30.088 -15.147 6.787 18 2HG ARG 2 2HG ARG 2 30.095 -16.354 5.515 19 1HD ARG 2 1HD ARG 2 32.207 -17.304 6.868 20 2HD ARG 2 2HD ARG 2 31.488 -16.419 8.199 21 HE ARG 2 HE ARG 2 29.778 -18.011 8.296 22 1HH1 ARG 2 2HH1 ARG 2 28.627 -19.878 7.654 23 2HH1 ARG 2 1HH1 ARG 2 28.922 -20.586 6.101 24 1HH2 ARG 2 2HH2 ARG 2 31.358 -18.223 5.158 25 2HH2 ARG 2 1HH2 ARG 2 30.485 -19.638 4.672 26 QB ARG 2 QB ARG 2 32.318 -14.772 5.862 27 QG ARG 2 QG ARG 2 30.091 -15.750 6.151 28 QD ARG 2 QD ARG 2 31.848 -16.861 7.533 29 QH1 ARG 2 QH1 ARG 2 28.775 -20.232 6.878 30 QH2 ARG 2 QH2 ARG 2 30.922 -18.930 4.915 31 H SER 3 H SER 3 29.249 -15.669 3.594 32 HA SER 3 HA SER 3 28.962 -13.165 2.194 33 1HB SER 3 1HB SER 3 26.933 -14.042 1.323 34 2HB SER 3 2HB SER 3 28.024 -15.412 1.364 35 HG SER 3 HG SER 3 25.856 -15.861 2.231 36 QB SER 3 QB SER 3 27.479 -14.727 1.344 37 H LEU 4 H LEU 4 26.140 -12.754 2.764 38 HA LEU 4 HA LEU 4 26.067 -12.364 5.649 39 1HB LEU 4 1HB LEU 4 25.797 -10.145 3.619 40 2HB LEU 4 2HB LEU 4 25.313 -10.010 5.298 41 HG LEU 4 HG LEU 4 28.019 -10.951 5.223 42 1HD1 LEU 4 2HD1 LEU 4 27.815 -9.833 2.890 43 2HD1 LEU 4 3HD1 LEU 4 27.814 -8.307 3.807 44 3HD1 LEU 4 1HD1 LEU 4 29.194 -9.423 3.938 45 1HD2 LEU 4 3HD2 LEU 4 26.523 -9.408 6.839 46 2HD2 LEU 4 1HD2 LEU 4 28.303 -9.420 6.861 47 3HD2 LEU 4 2HD2 LEU 4 27.433 -8.143 5.978 48 MD1 LEU 4 QD1 LEU 4 28.274 -9.188 3.545 49 MD2 LEU 4 QD2 LEU 4 27.420 -8.990 6.559 50 QB LEU 4 QB LEU 4 25.555 -10.078 4.458 51 QD LEU 4 QQD LEU 4 27.847 -9.089 5.052 52 H GLU 5 H GLU 5 23.769 -11.473 6.253 53 HA GLU 5 HA GLU 5 21.911 -12.944 4.555 54 1HB GLU 5 1HB GLU 5 22.394 -13.521 7.109 55 2HB GLU 5 2HB GLU 5 21.287 -12.197 7.413 56 1HG GLU 5 1HG GLU 5 19.455 -13.357 6.626 57 2HG GLU 5 2HG GLU 5 20.361 -14.133 5.342 58 QB GLU 5 QB GLU 5 21.840 -12.859 7.261 59 QG GLU 5 QG GLU 5 19.908 -13.745 5.984 60 H THR 6 H THR 6 19.483 -12.017 5.071 61 HA THR 6 HA THR 6 19.419 -9.162 5.381 62 HB THR 6 HB THR 6 18.759 -10.409 2.661 63 HG1 THR 6 HG1 THR 6 20.757 -9.241 2.119 64 1HG2 THR 6 3HG2 THR 6 18.671 -7.604 3.832 65 2HG2 THR 6 1HG2 THR 6 19.022 -7.835 2.102 66 3HG2 THR 6 2HG2 THR 6 17.479 -8.407 2.781 67 MG THR 6 QG2 THR 6 18.391 -7.949 2.905 68 H PHE 7 H PHE 7 17.068 -8.362 4.925 69 HA PHE 7 HA PHE 7 14.991 -10.225 4.968 70 1HB PHE 7 1HB PHE 7 14.468 -9.495 7.521 71 2HB PHE 7 2HB PHE 7 15.480 -10.886 7.188 72 HD1 PHE 7 HD1 PHE 7 15.530 -7.320 8.132 73 HD2 PHE 7 HD2 PHE 7 17.788 -10.894 7.768 74 HE1 PHE 7 HE1 PHE 7 17.401 -6.271 9.436 75 HE2 PHE 7 HE2 PHE 7 19.659 -9.847 9.072 76 HZ PHE 7 HZ PHE 7 19.443 -7.548 9.890 77 QB PHE 7 QB PHE 7 14.974 -10.191 7.354 78 QD PHE 7 QD PHE 7 16.659 -9.107 7.950 79 QE PHE 7 QE PHE 7 18.530 -8.059 9.254 80 QR PHE 7 QR PHE 7 17.964 -8.376 8.860 81 H VAL 8 H VAL 8 12.878 -9.182 5.178 82 HA VAL 8 HA VAL 8 12.908 -6.309 5.540 83 HB VAL 8 HB VAL 8 11.676 -7.382 3.028 84 1HG1 VAL 8 2HG1 VAL 8 12.526 -4.708 4.108 85 2HG1 VAL 8 3HG1 VAL 8 12.424 -4.961 2.348 86 3HG1 VAL 8 1HG1 VAL 8 10.983 -5.198 3.367 87 1HG2 VAL 8 3HG2 VAL 8 14.041 -8.133 3.014 88 2HG2 VAL 8 1HG2 VAL 8 13.698 -6.915 1.762 89 3HG2 VAL 8 2HG2 VAL 8 14.557 -6.446 3.249 90 MG1 VAL 8 QG1 VAL 8 11.978 -4.956 3.274 91 MG2 VAL 8 QG2 VAL 8 14.099 -7.165 2.675 92 QG VAL 8 QQG VAL 8 13.038 -6.060 2.975 93 H GLY 9 H GLY 9 10.542 -5.470 5.397 94 1HA GLY 9 2HA GLY 9 8.902 -6.151 7.211 95 2HA GLY 9 1HA GLY 9 8.670 -7.591 6.240 96 QA GLY 9 QA GLY 9 8.786 -6.871 6.726 97 H ASP 10 H ASP 10 6.372 -6.401 6.516 98 HA ASP 10 HA ASP 10 5.953 -5.171 3.950 99 1HB ASP 10 1HB ASP 10 3.463 -5.317 4.981 100 2HB ASP 10 2HB ASP 10 4.242 -6.691 4.223 101 QB ASP 10 QB ASP 10 3.852 -6.004 4.602 102 H GLN 11 H GLN 11 3.772 -3.512 4.314 103 HA GLN 11 HA GLN 11 3.888 -1.932 6.605 104 1HB GLN 11 1HB GLN 11 6.092 -1.326 5.347 105 2HB GLN 11 2HB GLN 11 5.059 -0.507 4.193 106 1HG GLN 11 1HG GLN 11 4.004 0.690 6.262 107 2HG GLN 11 2HG GLN 11 5.389 0.094 7.157 108 1HE2 GLN 11 1HE2 GLN 11 4.200 2.341 4.852 109 2HE2 GLN 11 2HE2 GLN 11 5.651 3.247 4.577 110 QB GLN 11 QB GLN 11 5.576 -0.917 4.770 111 QG GLN 11 QG GLN 11 4.697 0.392 6.710 112 QE GLN 11 QE2 GLN 11 4.926 2.794 4.715 113 H VAL 12 H VAL 12 1.927 -0.882 6.752 114 HA VAL 12 HA VAL 12 0.222 -1.023 4.417 115 HB VAL 12 HB VAL 12 -0.660 0.134 7.014 116 1HG1 VAL 12 3HG1 VAL 12 -1.843 -1.731 4.941 117 2HG1 VAL 12 1HG1 VAL 12 -2.635 -1.372 6.494 118 3HG1 VAL 12 2HG1 VAL 12 -2.328 -0.063 5.327 119 1HG2 VAL 12 2HG2 VAL 12 0.493 -2.589 6.696 120 2HG2 VAL 12 3HG2 VAL 12 0.370 -1.554 8.138 121 3HG2 VAL 12 1HG2 VAL 12 -1.048 -2.473 7.578 122 MG1 VAL 12 QG1 VAL 12 -2.269 -1.055 5.587 123 MG2 VAL 12 QG2 VAL 12 -0.062 -2.206 7.470 124 QG VAL 12 QQG VAL 12 -1.165 -1.630 6.529 125 H LEU 13 H LEU 13 -1.279 0.973 4.063 126 HA LEU 13 HA LEU 13 -0.059 3.494 4.692 127 1HB LEU 13 1HB LEU 13 0.668 4.154 2.628 128 2HB LEU 13 2HB LEU 13 1.196 2.484 2.689 129 HG LEU 13 HG LEU 13 -1.346 2.359 1.523 130 1HD1 LEU 13 1HD1 LEU 13 0.184 4.762 0.504 131 2HD1 LEU 13 2HD1 LEU 13 -1.089 3.931 -0.423 132 3HD1 LEU 13 3HD1 LEU 13 -1.481 4.703 1.132 133 1HD2 LEU 13 1HD2 LEU 13 1.448 1.863 0.793 134 2HD2 LEU 13 2HD2 LEU 13 -0.013 0.893 0.490 135 3HD2 LEU 13 3HD2 LEU 13 0.403 2.239 -0.598 136 MD1 LEU 13 QD1 LEU 13 -0.795 4.465 0.404 137 MD2 LEU 13 QD2 LEU 13 0.612 1.665 0.228 138 QB LEU 13 QB LEU 13 0.932 3.319 2.659 139 QD LEU 13 QQD LEU 13 -0.091 3.065 0.316 140 H GLU 14 H GLU 14 -1.524 5.238 4.415 141 HA GLU 14 HA GLU 14 -4.231 4.289 3.999 142 1HB GLU 14 1HB GLU 14 -3.608 7.055 5.017 143 2HB GLU 14 2HB GLU 14 -4.952 6.004 5.419 144 1HG GLU 14 1HG GLU 14 -3.278 4.454 6.580 145 2HG GLU 14 2HG GLU 14 -2.053 5.680 6.320 146 QB GLU 14 QB GLU 14 -4.280 6.529 5.218 147 QG GLU 14 QG GLU 14 -2.666 5.067 6.450 148 H ILE 15 H ILE 15 -5.287 4.738 2.113 149 HA ILE 15 HA ILE 15 -4.190 6.927 0.492 150 HB ILE 15 HB ILE 15 -5.683 4.466 -0.423 151 1HG1 ILE 15 1HG1 ILE 15 -2.737 4.991 -0.821 152 2HG1 ILE 15 2HG1 ILE 15 -3.329 4.156 0.603 153 1HG2 ILE 15 2HG2 ILE 15 -4.734 6.931 -1.764 154 2HG2 ILE 15 3HG2 ILE 15 -4.398 5.398 -2.606 155 3HG2 ILE 15 1HG2 ILE 15 -6.071 5.830 -2.177 156 1HD1 ILE 15 3HD1 ILE 15 -4.387 3.213 -2.044 157 2HD1 ILE 15 1HD1 ILE 15 -2.687 2.846 -1.668 158 3HD1 ILE 15 2HD1 ILE 15 -3.980 2.277 -0.586 159 MG ILE 15 QG2 ILE 15 -5.068 6.053 -2.182 160 MD ILE 15 QD1 ILE 15 -3.685 2.779 -1.433 161 QG ILE 15 QG1 ILE 15 -3.033 4.573 -0.109 162 H VAL 16 H VAL 16 -5.602 8.470 -0.387 163 HA VAL 16 HA VAL 16 -8.401 8.206 0.449 164 HB VAL 16 HB VAL 16 -6.706 10.700 0.675 165 1HG1 VAL 16 3HG1 VAL 16 -9.608 10.095 1.265 166 2HG1 VAL 16 1HG1 VAL 16 -8.751 11.445 2.047 167 3HG1 VAL 16 2HG1 VAL 16 -8.915 11.402 0.274 168 1HG2 VAL 16 1HG2 VAL 16 -6.276 8.739 2.326 169 2HG2 VAL 16 2HG2 VAL 16 -6.533 10.374 2.979 170 3HG2 VAL 16 3HG2 VAL 16 -7.856 9.183 3.013 171 MG1 VAL 16 QG1 VAL 16 -9.091 10.980 1.195 172 MG2 VAL 16 QG2 VAL 16 -6.888 9.432 2.773 173 QG VAL 16 QQG VAL 16 -7.990 10.206 1.984 174 HA PRO 17 HA PRO 17 -8.271 9.088 -3.923 175 1HB PRO 17 1HB PRO 17 -10.391 7.510 -4.622 176 2HB PRO 17 2HB PRO 17 -8.733 6.941 -4.619 177 1HG PRO 17 1HG PRO 17 -10.890 6.372 -2.680 178 2HG PRO 17 2HG PRO 17 -9.390 5.504 -2.939 179 1HD PRO 17 1HD PRO 17 -9.974 7.317 -0.795 180 2HD PRO 17 2HD PRO 17 -8.437 6.540 -1.121 181 QB PRO 17 QB PRO 17 -9.562 7.226 -4.620 182 QG PRO 17 QG PRO 17 -10.140 5.938 -2.810 183 QD PRO 17 QD PRO 17 -9.206 6.928 -0.958 184 H SER 18 H SER 18 -10.268 9.616 -5.525 185 HA SER 18 HA SER 18 -12.353 10.899 -4.106 186 1HB SER 18 1HB SER 18 -10.447 12.547 -3.865 187 2HB SER 18 2HB SER 18 -10.387 12.682 -5.611 188 HG SER 18 HG SER 18 -12.898 13.132 -5.188 189 QB SER 18 QB SER 18 -10.417 12.615 -4.738 190 H ASN 19 H ASN 19 -10.432 10.563 -7.144 191 HA ASN 19 HA ASN 19 -12.936 10.759 -8.612 192 1HB ASN 19 1HB ASN 19 -10.066 10.841 -9.684 193 2HB ASN 19 2HB ASN 19 -11.518 11.173 -10.608 194 1HD2 ASN 19 1HD2 ASN 19 -9.208 12.852 -10.111 195 2HD2 ASN 19 2HD2 ASN 19 -9.767 14.310 -9.358 196 QB ASN 19 QB ASN 19 -10.792 11.007 -10.146 197 QD ASN 19 QD2 ASN 19 -9.488 13.581 -9.735 198 H GLU 20 H GLU 20 -13.426 9.045 -10.187 199 HA GLU 20 HA GLU 20 -12.938 6.521 -9.379 200 1HB GLU 20 1HB GLU 20 -13.774 7.752 -11.994 201 2HB GLU 20 2HB GLU 20 -13.392 6.041 -11.989 202 1HG GLU 20 1HG GLU 20 -15.621 5.876 -11.403 203 2HG GLU 20 2HG GLU 20 -14.958 6.067 -9.792 204 QB GLU 20 QB GLU 20 -13.583 6.897 -11.991 205 QG GLU 20 QG GLU 20 -15.290 5.972 -10.597 206 H GLU 21 H GLU 21 -11.121 8.427 -11.864 207 HA GLU 21 HA GLU 21 -9.502 6.597 -12.887 208 1HB GLU 21 1HB GLU 21 -9.194 8.788 -13.674 209 2HB GLU 21 2HB GLU 21 -9.035 9.462 -12.065 210 1HG GLU 21 1HG GLU 21 -6.795 8.719 -11.824 211 2HG GLU 21 2HG GLU 21 -6.964 7.485 -13.056 212 QB GLU 21 QB GLU 21 -9.115 9.125 -12.870 213 QG GLU 21 QG GLU 21 -6.880 8.102 -12.440 214 H GLN 22 H GLN 22 -8.995 8.251 -9.699 215 HA GLN 22 HA GLN 22 -6.607 7.037 -9.100 216 1HB GLN 22 1HB GLN 22 -8.816 8.312 -7.509 217 2HB GLN 22 2HB GLN 22 -7.606 7.402 -6.625 218 1HG GLN 22 1HG GLN 22 -6.512 9.437 -6.665 219 2HG GLN 22 2HG GLN 22 -5.925 8.813 -8.195 220 1HE2 GLN 22 1HE2 GLN 22 -7.996 11.066 -6.592 221 2HE2 GLN 22 2HE2 GLN 22 -8.482 12.004 -7.965 222 QB GLN 22 QB GLN 22 -8.211 7.857 -7.067 223 QG GLN 22 QG GLN 22 -6.218 9.125 -7.430 224 QE GLN 22 QE2 GLN 22 -8.239 11.535 -7.279 225 H ILE 23 H ILE 23 -9.996 5.933 -8.619 226 HA ILE 23 HA ILE 23 -9.251 3.646 -7.109 227 HB ILE 23 HB ILE 23 -11.757 4.600 -8.456 228 1HG1 ILE 23 1HG1 ILE 23 -12.540 4.471 -6.027 229 2HG1 ILE 23 2HG1 ILE 23 -10.860 4.228 -5.593 230 1HG2 ILE 23 3HG2 ILE 23 -11.082 1.852 -7.848 231 2HG2 ILE 23 1HG2 ILE 23 -12.460 2.407 -6.866 232 3HG2 ILE 23 2HG2 ILE 23 -12.527 2.526 -8.641 233 1HD1 ILE 23 1HD1 ILE 23 -11.564 6.532 -7.416 234 2HD1 ILE 23 2HD1 ILE 23 -11.871 6.677 -5.670 235 3HD1 ILE 23 3HD1 ILE 23 -10.219 6.382 -6.260 236 MG ILE 23 QG2 ILE 23 -12.023 2.262 -7.785 237 MD ILE 23 QD1 ILE 23 -11.218 6.530 -6.449 238 QG ILE 23 QG1 ILE 23 -11.700 4.350 -5.810 239 H LYS 24 H LYS 24 -10.054 4.293 -10.571 240 HA LYS 24 HA LYS 24 -9.893 1.628 -11.390 241 1HB LYS 24 1HB LYS 24 -10.953 2.957 -12.925 242 2HB LYS 24 2HB LYS 24 -9.858 4.307 -12.702 243 1HG LYS 24 1HG LYS 24 -8.116 3.235 -14.002 244 2HG LYS 24 2HG LYS 24 -8.954 1.696 -13.987 245 1HD LYS 24 1HD LYS 24 -10.339 4.109 -15.182 246 2HD LYS 24 2HD LYS 24 -9.097 3.296 -16.114 247 1HE LYS 24 1HE LYS 24 -10.327 1.282 -16.258 248 2HE LYS 24 2HE LYS 24 -11.274 1.632 -14.827 249 1HZ LYS 24 3HZ LYS 24 -11.796 3.654 -16.599 250 2HZ LYS 24 1HZ LYS 24 -11.833 2.286 -17.490 251 3HZ LYS 24 2HZ LYS 24 -12.795 2.431 -16.179 252 QB LYS 24 QB LYS 24 -10.406 3.632 -12.814 253 QD LYS 24 QD LYS 24 -9.718 3.702 -15.648 254 QG LYS 24 QG LYS 24 -8.535 2.465 -13.995 255 QE LYS 24 QE LYS 24 -10.800 1.457 -15.542 256 QZ LYS 24 QZ LYS 24 -12.141 2.790 -16.756 257 H ASN 25 H ASN 25 -7.472 3.858 -10.300 258 HA ASN 25 HA ASN 25 -5.371 2.697 -11.814 259 1HB ASN 25 1HB ASN 25 -5.653 4.780 -9.660 260 2HB ASN 25 2HB ASN 25 -4.089 3.996 -9.766 261 1HD2 ASN 25 1HD2 ASN 25 -6.017 6.454 -10.901 262 2HD2 ASN 25 2HD2 ASN 25 -5.161 6.898 -12.339 263 QB ASN 25 QB ASN 25 -4.871 4.388 -9.713 264 QD ASN 25 QD2 ASN 25 -5.589 6.676 -11.620 265 H LEU 26 H LEU 26 -6.786 2.470 -8.507 266 HA LEU 26 HA LEU 26 -4.748 0.789 -7.475 267 1HB LEU 26 1HB LEU 26 -7.384 1.831 -6.597 268 2HB LEU 26 2HB LEU 26 -6.826 0.358 -5.831 269 HG LEU 26 HG LEU 26 -5.484 3.066 -5.832 270 1HD1 LEU 26 2HD1 LEU 26 -7.254 1.684 -4.035 271 2HD1 LEU 26 3HD1 LEU 26 -5.682 1.962 -3.245 272 3HD1 LEU 26 1HD1 LEU 26 -6.589 3.333 -3.929 273 1HD2 LEU 26 3HD2 LEU 26 -4.341 0.364 -5.204 274 2HD2 LEU 26 1HD2 LEU 26 -3.607 1.745 -6.056 275 3HD2 LEU 26 2HD2 LEU 26 -3.805 1.793 -4.287 276 MD1 LEU 26 QD1 LEU 26 -6.508 2.326 -3.736 277 MD2 LEU 26 QD2 LEU 26 -3.918 1.301 -5.182 278 QB LEU 26 QB LEU 26 -7.105 1.094 -6.214 279 QD LEU 26 QQD LEU 26 -5.213 1.814 -4.459 280 H LEU 27 H LEU 27 -7.987 0.273 -8.971 281 HA LEU 27 HA LEU 27 -8.126 -2.463 -8.515 282 1HB LEU 27 1HB LEU 27 -9.369 -0.523 -10.400 283 2HB LEU 27 2HB LEU 27 -9.519 -2.229 -10.774 284 HG LEU 27 HG LEU 27 -10.384 -0.944 -8.168 285 1HD1 LEU 27 2HD1 LEU 27 -11.931 -1.673 -10.658 286 2HD1 LEU 27 3HD1 LEU 27 -12.703 -1.478 -9.066 287 3HD1 LEU 27 1HD1 LEU 27 -11.847 -0.107 -9.814 288 1HD2 LEU 27 2HD2 LEU 27 -10.514 -3.770 -9.206 289 2HD2 LEU 27 3HD2 LEU 27 -9.899 -3.169 -7.648 290 3HD2 LEU 27 1HD2 LEU 27 -11.650 -3.171 -7.973 291 MD1 LEU 27 QD1 LEU 27 -12.160 -1.086 -9.846 292 MD2 LEU 27 QD2 LEU 27 -10.688 -3.370 -8.275 293 QB LEU 27 QB LEU 27 -9.444 -1.376 -10.587 294 QD LEU 27 QQD LEU 27 -11.424 -2.228 -9.061 295 H GLN 28 H GLN 28 -6.854 -0.632 -11.380 296 HA GLN 28 HA GLN 28 -6.114 -2.844 -12.817 297 1HB GLN 28 1HB GLN 28 -6.102 -0.214 -13.324 298 2HB GLN 28 2HB GLN 28 -4.407 -0.359 -12.907 299 1HG GLN 28 1HG GLN 28 -5.099 -2.563 -14.651 300 2HG GLN 28 2HG GLN 28 -5.697 -1.084 -15.375 301 1HE2 GLN 28 1HE2 GLN 28 -4.342 0.308 -16.301 302 2HE2 GLN 28 2HE2 GLN 28 -2.616 0.171 -16.342 303 QB GLN 28 QB GLN 28 -5.255 -0.287 -13.115 304 QG GLN 28 QG GLN 28 -5.398 -1.823 -15.013 305 QE GLN 28 QE2 GLN 28 -3.479 0.240 -16.322 306 H LEU 29 H LEU 29 -4.489 -1.161 -10.118 307 HA LEU 29 HA LEU 29 -1.979 -2.394 -10.461 308 1HB LEU 29 1HB LEU 29 -1.983 -0.435 -9.230 309 2HB LEU 29 2HB LEU 29 -3.368 -0.907 -8.266 310 HG LEU 29 HG LEU 29 -1.908 -2.651 -7.167 311 1HD1 LEU 29 3HD1 LEU 29 0.166 -1.296 -8.873 312 2HD1 LEU 29 1HD1 LEU 29 0.603 -2.040 -7.317 313 3HD1 LEU 29 2HD1 LEU 29 -0.123 -3.032 -8.603 314 1HD2 LEU 29 2HD2 LEU 29 -1.521 0.307 -6.890 315 2HD2 LEU 29 3HD2 LEU 29 -2.308 -0.853 -5.794 316 3HD2 LEU 29 1HD2 LEU 29 -0.533 -0.803 -5.911 317 MD1 LEU 29 QD1 LEU 29 0.215 -2.123 -8.265 318 MD2 LEU 29 QD2 LEU 29 -1.454 -0.450 -6.198 319 QB LEU 29 QB LEU 29 -2.675 -0.671 -8.748 320 QD LEU 29 QQD LEU 29 -0.619 -1.286 -7.231 321 H GLU 30 H GLU 30 -4.588 -3.033 -8.005 322 HA GLU 30 HA GLU 30 -3.501 -5.291 -6.985 323 1HB GLU 30 1HB GLU 30 -5.707 -3.910 -6.425 324 2HB GLU 30 2HB GLU 30 -6.490 -5.144 -7.391 325 1HG GLU 30 1HG GLU 30 -4.848 -6.687 -5.779 326 2HG GLU 30 2HG GLU 30 -5.232 -5.360 -4.701 327 QB GLU 30 QB GLU 30 -6.098 -4.527 -6.908 328 QG GLU 30 QG GLU 30 -5.040 -6.023 -5.240 329 H ALA 31 H ALA 31 -5.072 -4.806 -10.108 330 HA ALA 31 HA ALA 31 -5.790 -7.460 -10.633 331 1HB ALA 31 2HB ALA 31 -4.939 -5.941 -12.978 332 2HB ALA 31 1HB ALA 31 -5.945 -4.956 -11.889 333 3HB ALA 31 3HB ALA 31 -6.564 -6.502 -12.519 334 MB ALA 31 QB ALA 31 -5.816 -5.800 -12.462 335 H GLN 32 H GLN 32 -2.768 -5.568 -11.242 336 HA GLN 32 HA GLN 32 -1.425 -7.390 -12.716 337 1HB GLN 32 1HB GLN 32 -0.642 -5.243 -10.780 338 2HB GLN 32 2HB GLN 32 0.615 -6.379 -11.225 339 1HG GLN 32 1HG GLN 32 -1.110 -4.889 -13.258 340 2HG GLN 32 2HG GLN 32 0.461 -4.325 -12.721 341 1HE2 GLN 32 1HE2 GLN 32 -1.172 -6.077 -15.000 342 2HE2 GLN 32 2HE2 GLN 32 0.115 -7.019 -15.676 343 QB GLN 32 QB GLN 32 -0.013 -5.811 -11.002 344 QG GLN 32 QG GLN 32 -0.324 -4.607 -12.989 345 QE GLN 32 QE2 GLN 32 -0.528 -6.548 -15.338 346 H GLU 33 H GLU 33 -1.388 -9.575 -12.303 347 HA GLU 33 HA GLU 33 -1.731 -10.857 -10.026 348 1HB GLU 33 1HB GLU 33 -0.110 -11.449 -12.474 349 2HB GLU 33 2HB GLU 33 0.154 -12.502 -11.099 350 1HG GLU 33 1HG GLU 33 -1.946 -13.442 -11.234 351 2HG GLU 33 2HG GLU 33 -2.714 -11.929 -11.672 352 QB GLU 33 QB GLU 33 0.022 -11.975 -11.787 353 QG GLU 33 QG GLU 33 -2.330 -12.685 -11.453 354 H HIS 34 H HIS 34 1.523 -9.757 -11.223 355 HA HIS 34 HA HIS 34 2.979 -10.649 -9.070 356 1HB HIS 34 1HB HIS 34 3.646 -8.078 -10.480 357 2HB HIS 34 2HB HIS 34 4.726 -9.321 -9.881 358 HD1 HIS 34 HD1 HIS 34 4.503 -11.735 -11.254 359 HD2 HIS 34 HD2 HIS 34 3.133 -8.260 -13.162 360 HE1 HIS 34 HE1 HIS 34 4.382 -12.287 -13.742 361 HE2 HIS 34 HE2 HIS 34 3.482 -10.132 -14.856 362 QB HIS 34 QB HIS 34 4.186 -8.699 -10.180 363 H LEU 35 H LEU 35 1.180 -7.558 -9.545 364 HA LEU 35 HA LEU 35 1.888 -6.781 -6.829 365 1HB LEU 35 1HB LEU 35 0.906 -5.404 -9.269 366 2HB LEU 35 2HB LEU 35 0.388 -4.753 -7.727 367 HG LEU 35 HG LEU 35 3.280 -5.199 -8.514 368 1HD1 LEU 35 3HD1 LEU 35 1.605 -3.295 -9.571 369 2HD1 LEU 35 1HD1 LEU 35 2.351 -2.435 -8.203 370 3HD1 LEU 35 2HD1 LEU 35 3.378 -3.174 -9.455 371 1HD2 LEU 35 3HD2 LEU 35 1.955 -4.037 -6.072 372 2HD2 LEU 35 1HD2 LEU 35 3.240 -5.263 -6.185 373 3HD2 LEU 35 2HD2 LEU 35 3.601 -3.559 -6.550 374 MD1 LEU 35 QD1 LEU 35 2.445 -2.968 -9.077 375 MD2 LEU 35 QD2 LEU 35 2.932 -4.287 -6.269 376 QB LEU 35 QB LEU 35 0.647 -5.078 -8.498 377 QD LEU 35 QQD LEU 35 2.688 -3.627 -7.673 378 H GLN 36 H GLN 36 0.399 -9.108 -6.846 379 HA GLN 36 HA GLN 36 -2.352 -8.618 -6.822 380 1HB GLN 36 1HB GLN 36 -1.613 -10.872 -7.140 381 2HB GLN 36 2HB GLN 36 -0.599 -10.834 -5.712 382 1HG GLN 36 1HG GLN 36 -3.316 -10.200 -4.926 383 2HG GLN 36 2HG GLN 36 -3.345 -11.652 -5.907 384 1HE2 GLN 36 1HE2 GLN 36 -4.064 -12.548 -3.825 385 2HE2 GLN 36 2HE2 GLN 36 -2.881 -13.135 -2.704 386 QB GLN 36 QB GLN 36 -1.106 -10.853 -6.426 387 QG GLN 36 QG GLN 36 -3.331 -10.926 -5.417 388 QE GLN 36 QE2 GLN 36 -3.473 -12.841 -3.264 389 H LEU 37 H LEU 37 -1.995 -6.481 -5.515 390 HA LEU 37 HA LEU 37 -1.479 -6.774 -2.732 391 1HB LEU 37 1HB LEU 37 -2.802 -4.450 -4.123 392 2HB LEU 37 2HB LEU 37 -1.940 -4.445 -2.597 393 HG LEU 37 HG LEU 37 -0.456 -5.256 -5.070 394 1HD1 LEU 37 1HD1 LEU 37 -1.909 -2.962 -5.192 395 2HD1 LEU 37 2HD1 LEU 37 -0.391 -2.366 -4.481 396 3HD1 LEU 37 3HD1 LEU 37 -0.364 -3.229 -6.036 397 1HD2 LEU 37 2HD2 LEU 37 0.371 -5.208 -2.576 398 2HD2 LEU 37 3HD2 LEU 37 1.433 -4.681 -3.903 399 3HD2 LEU 37 1HD2 LEU 37 0.590 -3.472 -2.905 400 MD1 LEU 37 QD1 LEU 37 -0.888 -2.852 -5.236 401 MD2 LEU 37 QD2 LEU 37 0.798 -4.453 -3.128 402 QB LEU 37 QB LEU 37 -2.371 -4.448 -3.360 403 QD LEU 37 QQD LEU 37 -0.045 -3.653 -4.182 404 H ASP 38 H ASP 38 -3.146 -6.018 -1.057 405 HA ASP 38 HA ASP 38 -5.798 -6.889 -1.862 406 1HB ASP 38 1HB ASP 38 -4.254 -8.585 -0.478 407 2HB ASP 38 2HB ASP 38 -4.729 -7.584 0.880 408 QB ASP 38 QB ASP 38 -4.491 -8.084 0.201 409 H PHE 39 H PHE 39 -7.087 -5.080 -1.472 410 HA PHE 39 HA PHE 39 -6.237 -3.178 0.532 411 1HB PHE 39 1HB PHE 39 -8.758 -3.202 -1.214 412 2HB PHE 39 2HB PHE 39 -7.947 -1.793 -0.558 413 HD1 PHE 39 HD1 PHE 39 -8.611 -3.278 -3.504 414 HD2 PHE 39 HD2 PHE 39 -5.233 -1.948 -1.307 415 HE1 PHE 39 HE1 PHE 39 -7.321 -3.026 -5.642 416 HE2 PHE 39 HE2 PHE 39 -3.942 -1.696 -3.445 417 HZ PHE 39 HZ PHE 39 -5.001 -2.238 -5.587 418 QB PHE 39 QB PHE 39 -8.352 -2.497 -0.886 419 QD PHE 39 QD PHE 39 -6.922 -2.613 -2.406 420 QE PHE 39 QE PHE 39 -5.632 -2.361 -4.544 421 QR PHE 39 QR PHE 39 -6.022 -2.437 -3.897 422 H TRP 40 H TRP 40 -6.960 -3.213 2.604 423 HA TRP 40 HA TRP 40 -8.736 -5.106 3.553 424 1HB TRP 40 1HB TRP 40 -7.873 -2.449 4.699 425 2HB TRP 40 2HB TRP 40 -8.834 -3.621 5.578 426 HD1 TRP 40 HD1 TRP 40 -6.763 -5.965 3.946 427 HE1 TRP 40 HE1 TRP 40 -4.521 -6.606 5.180 428 HE3 TRP 40 HE3 TRP 40 -6.704 -1.937 7.048 429 HZ2 TRP 40 HZ2 TRP 40 -3.007 -5.384 7.268 430 HZ3 TRP 40 HZ3 TRP 40 -4.808 -1.736 8.655 431 HH2 TRP 40 HH2 TRP 40 -3.002 -3.377 8.795 432 QB TRP 40 QB TRP 40 -8.354 -3.035 5.138 433 H LYS 41 H LYS 41 -9.221 -1.621 2.666 434 HA LYS 41 HA LYS 41 -12.109 -2.111 2.799 435 1HB LYS 41 1HB LYS 41 -10.432 0.381 3.105 436 2HB LYS 41 2HB LYS 41 -12.144 0.472 2.742 437 1HG LYS 41 1HG LYS 41 -12.520 -1.093 4.766 438 2HG LYS 41 2HG LYS 41 -10.840 -0.819 5.177 439 1HD LYS 41 1HD LYS 41 -12.018 0.818 6.440 440 2HD LYS 41 2HD LYS 41 -11.374 1.713 5.078 441 1HE LYS 41 1HE LYS 41 -13.463 1.997 4.083 442 2HE LYS 41 2HE LYS 41 -14.093 0.486 4.708 443 1HZ LYS 41 2HZ LYS 41 -13.532 2.101 6.874 444 2HZ LYS 41 3HZ LYS 41 -14.336 3.033 5.800 445 3HZ LYS 41 1HZ LYS 41 -14.999 1.637 6.329 446 QB LYS 41 QB LYS 41 -11.288 0.426 2.923 447 QD LYS 41 QD LYS 41 -11.696 1.265 5.759 448 QG LYS 41 QG LYS 41 -11.680 -0.956 4.971 449 QE LYS 41 QE LYS 41 -13.778 1.242 4.396 450 QZ LYS 41 QZ LYS 41 -14.289 2.257 6.334 451 H SER 42 H SER 42 -12.683 -2.956 0.830 452 HA SER 42 HA SER 42 -11.528 -2.730 -1.518 453 1HB SER 42 1HB SER 42 -13.738 -3.047 -2.567 454 2HB SER 42 2HB SER 42 -13.605 -4.004 -1.105 455 HG SER 42 HG SER 42 -15.603 -3.004 -0.973 456 QB SER 42 QB SER 42 -13.671 -3.526 -1.836 457 HA PRO 43 HA PRO 43 -11.714 1.691 -2.043 458 1HB PRO 43 1HB PRO 43 -9.521 1.906 -3.661 459 2HB PRO 43 2HB PRO 43 -9.435 1.989 -1.912 460 1HG PRO 43 1HG PRO 43 -8.660 -0.232 -3.702 461 2HG PRO 43 2HG PRO 43 -8.200 0.044 -2.035 462 1HD PRO 43 1HD PRO 43 -10.143 -1.837 -2.989 463 2HD PRO 43 2HD PRO 43 -9.766 -1.479 -1.316 464 QB PRO 43 QB PRO 43 -9.478 1.947 -2.786 465 QG PRO 43 QG PRO 43 -8.430 -0.094 -2.868 466 QD PRO 43 QD PRO 43 -9.954 -1.658 -2.153 467 H THR 44 H THR 44 -13.677 0.371 -3.210 468 HA THR 44 HA THR 44 -13.385 0.478 -6.059 469 HB THR 44 HB THR 44 -16.025 0.288 -4.584 470 HG1 THR 44 HG1 THR 44 -15.342 -1.763 -3.831 471 1HG2 THR 44 1HG2 THR 44 -15.494 -0.111 -7.189 472 2HG2 THR 44 2HG2 THR 44 -14.926 -1.688 -6.592 473 3HG2 THR 44 3HG2 THR 44 -16.612 -1.188 -6.317 474 MG THR 44 QG2 THR 44 -15.677 -0.996 -6.699 475 H THR 45 H THR 45 -14.493 2.662 -3.498 476 HA THR 45 HA THR 45 -14.846 4.702 -5.568 477 HB THR 45 HB THR 45 -17.006 5.322 -4.735 478 HG1 THR 45 HG1 THR 45 -17.583 4.690 -2.610 479 1HG2 THR 45 3HG2 THR 45 -17.107 3.076 -5.922 480 2HG2 THR 45 1HG2 THR 45 -16.923 2.286 -4.337 481 3HG2 THR 45 2HG2 THR 45 -18.367 3.271 -4.679 482 MG THR 45 QG2 THR 45 -17.466 2.878 -4.979 483 HA PRO 46 HA PRO 46 -12.703 7.204 -2.821 484 1HB PRO 46 1HB PRO 46 -13.724 9.696 -3.285 485 2HB PRO 46 2HB PRO 46 -12.557 8.926 -4.342 486 1HG PRO 46 1HG PRO 46 -15.459 9.313 -4.753 487 2HG PRO 46 2HG PRO 46 -14.222 8.944 -5.939 488 1HD PRO 46 1HD PRO 46 -16.135 7.117 -4.830 489 2HD PRO 46 2HD PRO 46 -14.824 6.726 -5.926 490 QB PRO 46 QB PRO 46 -13.140 9.311 -3.814 491 QG PRO 46 QG PRO 46 -14.840 9.129 -5.346 492 QD PRO 46 QD PRO 46 -15.479 6.921 -5.378 493 H GLY 47 H GLY 47 -12.939 9.161 -1.139 494 1HA GLY 47 2HA GLY 47 -15.428 8.930 0.324 495 2HA GLY 47 1HA GLY 47 -14.060 9.964 0.685 496 QA GLY 47 QA GLY 47 -14.744 9.447 0.505 497 H GLU 48 H GLU 48 -14.230 6.373 0.174 498 HA GLU 48 HA GLU 48 -13.637 6.021 2.976 499 1HB GLU 48 1HB GLU 48 -13.886 3.528 2.293 500 2HB GLU 48 2HB GLU 48 -15.324 4.529 2.271 501 1HG GLU 48 1HG GLU 48 -15.492 4.496 -0.035 502 2HG GLU 48 2HG GLU 48 -13.756 4.501 -0.274 503 QB GLU 48 QB GLU 48 -14.605 4.028 2.282 504 QG GLU 48 QG GLU 48 -14.624 4.499 -0.154 505 H THR 49 H THR 49 -11.486 6.336 3.451 506 HA THR 49 HA THR 49 -9.391 5.989 1.654 507 HB THR 49 HB THR 49 -8.012 6.303 3.652 508 HG1 THR 49 HG1 THR 49 -10.524 5.389 4.853 509 1HG2 THR 49 1HG2 THR 49 -9.917 8.125 3.027 510 2HG2 THR 49 2HG2 THR 49 -10.545 7.626 4.616 511 3HG2 THR 49 3HG2 THR 49 -8.904 8.302 4.480 512 MG THR 49 QG2 THR 49 -9.789 8.018 4.041 513 H ALA 50 H ALA 50 -7.695 4.398 1.532 514 HA ALA 50 HA ALA 50 -8.723 1.726 2.202 515 1HB ALA 50 2HB ALA 50 -8.601 1.589 -0.077 516 2HB ALA 50 1HB ALA 50 -6.884 1.272 0.262 517 3HB ALA 50 3HB ALA 50 -7.412 2.908 -0.200 518 MB ALA 50 QB ALA 50 -7.632 1.923 -0.005 519 H HIS 51 H HIS 51 -7.023 0.089 2.727 520 HA HIS 51 HA HIS 51 -4.495 1.194 3.565 521 1HB HIS 51 1HB HIS 51 -5.957 -0.332 5.676 522 2HB HIS 51 2HB HIS 51 -4.678 0.856 5.832 523 HD1 HIS 51 HD1 HIS 51 -8.217 0.482 6.348 524 HD2 HIS 51 HD2 HIS 51 -5.727 3.615 5.089 525 HE1 HIS 51 HE1 HIS 51 -9.548 2.633 6.688 526 HE2 HIS 51 HE2 HIS 51 -7.946 4.528 5.948 527 QB HIS 51 QB HIS 51 -5.317 0.262 5.754 528 H VAL 52 H VAL 52 -3.405 -0.163 2.146 529 HA VAL 52 HA VAL 52 -3.927 -3.031 2.505 530 HB VAL 52 HB VAL 52 -4.328 -2.728 0.296 531 1HG1 VAL 52 1HG1 VAL 52 -2.364 -0.422 0.371 532 2HG1 VAL 52 2HG1 VAL 52 -3.087 -1.037 -1.134 533 3HG1 VAL 52 3HG1 VAL 52 -4.128 -0.362 0.141 534 1HG2 VAL 52 2HG2 VAL 52 -2.061 -4.037 0.780 535 2HG2 VAL 52 3HG2 VAL 52 -2.645 -3.753 -0.878 536 3HG2 VAL 52 1HG2 VAL 52 -1.376 -2.711 -0.191 537 MG1 VAL 52 QG1 VAL 52 -3.193 -0.607 -0.207 538 MG2 VAL 52 QG2 VAL 52 -2.027 -3.500 -0.096 539 QG VAL 52 QQG VAL 52 -2.610 -2.054 -0.152 540 H ARG 53 H ARG 53 -2.165 -4.439 2.885 541 HA ARG 53 HA ARG 53 0.047 -3.081 4.087 542 1HB ARG 53 1HB ARG 53 -0.757 -6.024 3.905 543 2HB ARG 53 2HB ARG 53 0.718 -5.502 4.693 544 1HG ARG 53 1HG ARG 53 -0.898 -3.859 6.019 545 2HG ARG 53 2HG ARG 53 -2.151 -4.973 5.508 546 1HD ARG 53 1HD ARG 53 0.370 -6.084 6.769 547 2HD ARG 53 2HD ARG 53 -0.850 -5.365 7.803 548 HE ARG 53 HE ARG 53 -2.026 -7.242 5.917 549 1HH1 ARG 53 2HH1 ARG 53 -2.832 -9.228 6.708 550 2HH1 ARG 53 1HH1 ARG 53 -2.361 -9.790 8.277 551 1HH2 ARG 53 2HH2 ARG 53 -0.301 -7.020 8.977 552 2HH2 ARG 53 1HH2 ARG 53 -0.912 -8.526 9.576 553 QB ARG 53 QB ARG 53 -0.019 -5.763 4.299 554 QG ARG 53 QG ARG 53 -1.524 -4.416 5.764 555 QD ARG 53 QD ARG 53 -0.240 -5.724 7.286 556 QH1 ARG 53 QH1 ARG 53 -2.596 -9.509 7.493 557 QH2 ARG 53 QH2 ARG 53 -0.607 -7.773 9.276 558 H VAL 54 H VAL 54 1.093 -2.216 2.146 559 HA VAL 54 HA VAL 54 1.947 -4.083 0.129 560 HB VAL 54 HB VAL 54 1.272 -1.953 -0.622 561 1HG1 VAL 54 1HG1 VAL 54 2.999 -0.898 1.609 562 2HG1 VAL 54 2HG1 VAL 54 2.621 0.121 0.200 563 3HG1 VAL 54 3HG1 VAL 54 1.305 -0.520 1.212 564 1HG2 VAL 54 3HG2 VAL 54 4.236 -2.438 -0.694 565 2HG2 VAL 54 1HG2 VAL 54 3.031 -2.545 -1.999 566 3HG2 VAL 54 2HG2 VAL 54 3.571 -0.952 -1.416 567 MG1 VAL 54 QG1 VAL 54 2.308 -0.432 1.007 568 MG2 VAL 54 QG2 VAL 54 3.613 -1.978 -1.370 569 QG VAL 54 QQG VAL 54 2.960 -1.205 -0.181 570 HA PRO 55 HA PRO 55 5.758 -4.951 1.985 571 1HB PRO 55 1HB PRO 55 7.117 -5.966 -0.156 572 2HB PRO 55 2HB PRO 55 5.972 -6.902 0.783 573 1HG PRO 55 1HG PRO 55 5.638 -5.725 -1.908 574 2HG PRO 55 2HG PRO 55 4.703 -6.993 -1.141 575 1HD PRO 55 1HD PRO 55 3.928 -4.252 -1.475 576 2HD PRO 55 2HD PRO 55 3.045 -5.491 -0.607 577 QB PRO 55 QB PRO 55 6.545 -6.434 0.313 578 QG PRO 55 QG PRO 55 5.170 -6.359 -1.525 579 QD PRO 55 QD PRO 55 3.487 -4.871 -1.041 580 H PHE 56 H PHE 56 7.556 -3.906 2.647 581 HA PHE 56 HA PHE 56 8.005 -1.372 1.781 582 1HB PHE 56 1HB PHE 56 8.955 -2.936 3.742 583 2HB PHE 56 2HB PHE 56 10.249 -3.278 2.611 584 HD1 PHE 56 HD1 PHE 56 8.754 -0.758 4.783 585 HD2 PHE 56 HD2 PHE 56 11.841 -1.537 1.978 586 HE1 PHE 56 HE1 PHE 56 9.944 1.327 5.514 587 HE2 PHE 56 HE2 PHE 56 13.031 0.550 2.709 588 HZ PHE 56 HZ PHE 56 12.068 1.956 4.469 589 QB PHE 56 QB PHE 56 9.602 -3.107 3.176 590 QD PHE 56 QD PHE 56 10.298 -1.148 3.380 591 QE PHE 56 QE PHE 56 11.488 0.938 4.112 592 QR PHE 56 QR PHE 56 11.128 0.308 3.891 593 H VAL 57 H VAL 57 9.360 -4.441 0.483 594 HA VAL 57 HA VAL 57 11.256 -3.196 -1.192 595 HB VAL 57 HB VAL 57 11.608 -5.436 -0.610 596 1HG1 VAL 57 2HG1 VAL 57 8.719 -5.816 -1.342 597 2HG1 VAL 57 3HG1 VAL 57 9.835 -7.201 -1.429 598 3HG1 VAL 57 1HG1 VAL 57 9.606 -6.338 0.111 599 1HG2 VAL 57 3HG2 VAL 57 11.952 -4.749 -3.077 600 2HG2 VAL 57 1HG2 VAL 57 11.987 -6.483 -2.673 601 3HG2 VAL 57 2HG2 VAL 57 10.533 -5.770 -3.412 602 MG1 VAL 57 QG1 VAL 57 9.387 -6.452 -0.887 603 MG2 VAL 57 QG2 VAL 57 11.491 -5.667 -3.054 604 QG VAL 57 QQG VAL 57 10.439 -6.060 -1.970 605 H ASN 58 H ASN 58 7.790 -3.504 -1.295 606 HA ASN 58 HA ASN 58 7.886 -2.731 -4.105 607 1HB ASN 58 1HB ASN 58 6.675 -4.947 -3.396 608 2HB ASN 58 2HB ASN 58 5.454 -3.909 -2.686 609 1HD2 ASN 58 1HD2 ASN 58 5.919 -5.745 -5.200 610 2HD2 ASN 58 2HD2 ASN 58 5.131 -4.882 -6.480 611 QB ASN 58 QB ASN 58 6.064 -4.428 -3.041 612 QD ASN 58 QD2 ASN 58 5.525 -5.314 -5.840 613 H VAL 59 H VAL 59 7.898 -1.332 -1.235 614 HA VAL 59 HA VAL 59 5.428 0.106 -1.201 615 HB VAL 59 HB VAL 59 7.943 -0.018 0.373 616 1HG1 VAL 59 2HG1 VAL 59 7.771 2.388 -0.076 617 2HG1 VAL 59 3HG1 VAL 59 6.083 2.381 0.489 618 3HG1 VAL 59 1HG1 VAL 59 7.405 2.026 1.627 619 1HG2 VAL 59 2HG2 VAL 59 5.895 -1.333 0.920 620 2HG2 VAL 59 3HG2 VAL 59 6.417 -0.251 2.234 621 3HG2 VAL 59 1HG2 VAL 59 5.032 0.198 1.209 622 MG1 VAL 59 QG1 VAL 59 7.086 2.265 0.680 623 MG2 VAL 59 QG2 VAL 59 5.781 -0.462 1.454 624 QG VAL 59 QQG VAL 59 6.434 0.901 1.067 625 H GLN 60 H GLN 60 8.649 0.471 -2.636 626 HA GLN 60 HA GLN 60 8.396 3.239 -3.083 627 1HB GLN 60 1HB GLN 60 10.528 1.716 -3.046 628 2HB GLN 60 2HB GLN 60 10.143 1.375 -4.721 629 1HG GLN 60 1HG GLN 60 11.694 3.253 -4.668 630 2HG GLN 60 2HG GLN 60 10.134 3.851 -5.197 631 1HE2 GLN 60 1HE2 GLN 60 11.436 5.820 -4.449 632 2HE2 GLN 60 2HE2 GLN 60 11.159 6.365 -2.829 633 QB GLN 60 QB GLN 60 10.335 1.546 -3.884 634 QG GLN 60 QG GLN 60 10.914 3.552 -4.933 635 QE GLN 60 QE2 GLN 60 11.297 6.092 -3.639 636 H ALA 61 H ALA 61 8.345 0.423 -5.398 637 HA ALA 61 HA ALA 61 7.561 1.725 -7.634 638 1HB ALA 61 3HB ALA 61 7.127 -0.380 -8.463 639 2HB ALA 61 1HB ALA 61 8.010 -0.838 -6.988 640 3HB ALA 61 2HB ALA 61 6.230 -0.888 -7.012 641 MB ALA 61 QB ALA 61 7.122 -0.702 -7.488 642 H VAL 62 H VAL 62 5.569 0.805 -4.798 643 HA VAL 62 HA VAL 62 3.113 1.503 -6.054 644 HB VAL 62 HB VAL 62 3.891 1.083 -3.162 645 1HG1 VAL 62 3HG1 VAL 62 1.409 2.021 -4.373 646 2HG1 VAL 62 1HG1 VAL 62 1.176 0.518 -3.448 647 3HG1 VAL 62 2HG1 VAL 62 1.889 1.947 -2.660 648 1HG2 VAL 62 2HG2 VAL 62 4.039 -0.807 -5.006 649 2HG2 VAL 62 3HG2 VAL 62 3.365 -1.146 -3.394 650 3HG2 VAL 62 1HG2 VAL 62 2.276 -0.862 -4.772 651 MG1 VAL 62 QG1 VAL 62 1.492 1.495 -3.494 652 MG2 VAL 62 QG2 VAL 62 3.227 -0.939 -4.391 653 QG VAL 62 QQG VAL 62 2.359 0.278 -3.942 654 H LYS 63 H LYS 63 5.434 3.114 -3.805 655 HA LYS 63 HA LYS 63 3.917 5.385 -3.331 656 1HB LYS 63 1HB LYS 63 6.817 4.670 -3.183 657 2HB LYS 63 2HB LYS 63 6.384 6.365 -3.087 658 1HG LYS 63 1HG LYS 63 4.541 4.911 -1.417 659 2HG LYS 63 2HG LYS 63 6.151 4.331 -1.044 660 1HD LYS 63 1HD LYS 63 6.913 6.458 -0.352 661 2HD LYS 63 2HD LYS 63 5.703 7.313 -1.289 662 1HE LYS 63 1HE LYS 63 3.938 6.256 0.286 663 2HE LYS 63 2HE LYS 63 5.279 5.760 1.300 664 1HZ LYS 63 3HZ LYS 63 5.946 8.194 1.158 665 2HZ LYS 63 1HZ LYS 63 4.420 8.471 0.646 666 3HZ LYS 63 2HZ LYS 63 4.680 7.807 2.114 667 QB LYS 63 QB LYS 63 6.601 5.518 -3.135 668 QD LYS 63 QD LYS 63 6.308 6.886 -0.821 669 QG LYS 63 QG LYS 63 5.346 4.621 -1.231 670 QE LYS 63 QE LYS 63 4.608 6.008 0.793 671 QZ LYS 63 QZ LYS 63 5.015 8.158 1.306 672 H VAL 64 H VAL 64 5.921 4.408 -6.113 673 HA VAL 64 HA VAL 64 5.899 7.011 -7.283 674 HB VAL 64 HB VAL 64 6.721 4.248 -8.120 675 1HG1 VAL 64 3HG1 VAL 64 6.625 6.696 -9.915 676 2HG1 VAL 64 1HG1 VAL 64 7.482 5.182 -10.290 677 3HG1 VAL 64 2HG1 VAL 64 5.709 5.184 -10.122 678 1HG2 VAL 64 1HG2 VAL 64 8.006 6.320 -6.792 679 2HG2 VAL 64 2HG2 VAL 64 8.786 4.929 -7.580 680 3HG2 VAL 64 3HG2 VAL 64 8.600 6.463 -8.463 681 MG1 VAL 64 QG1 VAL 64 6.605 5.688 -10.109 682 MG2 VAL 64 QG2 VAL 64 8.464 5.904 -7.612 683 QG VAL 64 QQG VAL 64 7.535 5.796 -8.860 684 H PHE 65 H PHE 65 3.906 4.042 -7.438 685 HA PHE 65 HA PHE 65 2.459 4.707 -9.721 686 1HB PHE 65 1HB PHE 65 2.617 2.515 -8.314 687 2HB PHE 65 2HB PHE 65 1.518 3.266 -7.173 688 HD1 PHE 65 HD1 PHE 65 1.792 2.301 -10.756 689 HD2 PHE 65 HD2 PHE 65 -0.785 3.076 -7.474 690 HE1 PHE 65 HE1 PHE 65 -0.163 1.480 -12.098 691 HE2 PHE 65 HE2 PHE 65 -2.741 2.255 -8.817 692 HZ PHE 65 HZ PHE 65 -2.407 1.467 -11.113 693 QB PHE 65 QB PHE 65 2.068 2.890 -7.744 694 QD PHE 65 QD PHE 65 0.504 2.689 -9.115 695 QE PHE 65 QE PHE 65 -1.452 1.868 -10.457 696 QR PHE 65 QR PHE 65 -0.861 2.116 -10.052 697 H LEU 66 H LEU 66 1.595 5.145 -6.211 698 HA LEU 66 HA LEU 66 -0.804 6.374 -6.536 699 1HB LEU 66 1HB LEU 66 1.374 6.733 -4.490 700 2HB LEU 66 2HB LEU 66 -0.150 7.591 -4.374 701 HG LEU 66 HG LEU 66 -0.571 4.740 -4.802 702 1HD1 LEU 66 1HD1 LEU 66 1.710 4.965 -3.488 703 2HD1 LEU 66 2HD1 LEU 66 0.622 5.276 -2.115 704 3HD1 LEU 66 3HD1 LEU 66 0.486 3.756 -3.030 705 1HD2 LEU 66 3HD2 LEU 66 -1.446 6.824 -2.809 706 2HD2 LEU 66 1HD2 LEU 66 -2.399 5.987 -4.055 707 3HD2 LEU 66 2HD2 LEU 66 -1.860 5.106 -2.606 708 MD1 LEU 66 QD1 LEU 66 0.939 4.666 -2.878 709 MD2 LEU 66 QD2 LEU 66 -1.902 5.972 -3.157 710 QB LEU 66 QB LEU 66 0.612 7.162 -4.432 711 QD LEU 66 QQD LEU 66 -0.481 5.319 -3.017 712 H GLU 67 H GLU 67 2.420 8.042 -6.323 713 HA GLU 67 HA GLU 67 1.464 10.557 -6.775 714 1HB GLU 67 1HB GLU 67 4.097 9.175 -7.109 715 2HB GLU 67 2HB GLU 67 3.929 10.716 -7.926 716 1HG GLU 67 1HG GLU 67 2.940 10.628 -5.099 717 2HG GLU 67 2HG GLU 67 4.673 10.466 -5.304 718 QB GLU 67 QB GLU 67 4.013 9.945 -7.518 719 QG GLU 67 QG GLU 67 3.806 10.547 -5.202 720 H SER 68 H SER 68 2.546 8.052 -9.152 721 HA SER 68 HA SER 68 2.397 9.573 -11.403 722 1HB SER 68 1HB SER 68 2.560 7.565 -12.568 723 2HB SER 68 2HB SER 68 3.101 7.058 -10.980 724 HG SER 68 HG SER 68 1.092 6.023 -12.380 725 QB SER 68 QB SER 68 2.830 7.312 -11.774 726 H GLN 69 H GLN 69 -0.202 7.778 -9.650 727 HA GLN 69 HA GLN 69 -2.138 8.554 -11.600 728 1HB GLN 69 1HB GLN 69 -3.739 7.380 -10.082 729 2HB GLN 69 2HB GLN 69 -2.365 6.381 -10.510 730 1HG GLN 69 1HG GLN 69 -1.280 6.834 -8.359 731 2HG GLN 69 2HG GLN 69 -2.496 8.025 -7.941 732 1HE2 GLN 69 1HE2 GLN 69 -4.837 7.090 -8.297 733 2HE2 GLN 69 2HE2 GLN 69 -5.151 5.581 -7.507 734 QB GLN 69 QB GLN 69 -3.052 6.880 -10.296 735 QG GLN 69 QG GLN 69 -1.888 7.430 -8.150 736 QE GLN 69 QE2 GLN 69 -4.994 6.335 -7.902 737 H GLY 70 H GLY 70 -0.500 10.457 -9.647 738 1HA GLY 70 2HA GLY 70 -2.216 12.574 -9.559 739 2HA GLY 70 1HA GLY 70 -0.872 12.337 -8.462 740 QA GLY 70 QA GLY 70 -1.544 12.456 -9.011 741 H ILE 71 H ILE 71 -1.557 10.217 -6.863 742 HA ILE 71 HA ILE 71 -4.169 10.993 -5.767 743 HB ILE 71 HB ILE 71 -3.865 8.652 -6.645 744 1HG1 ILE 71 1HG1 ILE 71 -4.487 8.501 -3.720 745 2HG1 ILE 71 2HG1 ILE 71 -5.444 9.579 -4.717 746 1HG2 ILE 71 3HG2 ILE 71 -1.472 8.600 -5.528 747 2HG2 ILE 71 1HG2 ILE 71 -2.388 7.981 -4.133 748 3HG2 ILE 71 2HG2 ILE 71 -2.453 7.125 -5.693 749 1HD1 ILE 71 2HD1 ILE 71 -5.634 7.510 -6.347 750 2HD1 ILE 71 3HD1 ILE 71 -5.165 6.573 -4.908 751 3HD1 ILE 71 1HD1 ILE 71 -6.643 7.564 -4.881 752 MG ILE 71 QG2 ILE 71 -2.104 7.902 -5.118 753 MD ILE 71 QD1 ILE 71 -5.814 7.216 -5.379 754 QG ILE 71 QG1 ILE 71 -4.966 9.040 -4.218 755 H ALA 72 H ALA 72 -4.153 10.353 -3.229 756 HA ALA 72 HA ALA 72 -1.645 11.400 -2.117 757 1HB ALA 72 1HB ALA 72 -2.705 13.248 -1.408 758 2HB ALA 72 3HB ALA 72 -3.888 12.244 -0.535 759 3HB ALA 72 2HB ALA 72 -4.191 12.706 -2.227 760 MB ALA 72 QB ALA 72 -3.595 12.732 -1.390 761 H TYR 73 H TYR 73 -0.797 9.998 -0.667 762 HA TYR 73 HA TYR 73 -2.691 8.265 0.767 763 1HB TYR 73 1HB TYR 73 -0.536 6.687 0.600 764 2HB TYR 73 2HB TYR 73 -1.592 6.810 -0.793 765 HD1 TYR 73 HD1 TYR 73 1.751 7.013 0.306 766 HD2 TYR 73 HD2 TYR 73 -0.966 8.742 -2.512 767 HE1 TYR 73 HE1 TYR 73 3.710 7.782 -1.121 768 HE2 TYR 73 HE2 TYR 73 1.003 9.504 -3.929 769 HH TYR 73 HH TYR 73 4.275 8.508 -3.155 770 QB TYR 73 QB TYR 73 -1.064 6.748 -0.097 771 QD TYR 73 QD TYR 73 0.393 7.877 -1.103 772 QE TYR 73 QE TYR 73 2.356 8.643 -2.525 773 QR TYR 73 QR TYR 73 1.374 8.260 -1.814 774 H SER 74 H SER 74 -0.929 6.983 2.470 775 HA SER 74 HA SER 74 0.831 8.885 3.629 776 1HB SER 74 1HB SER 74 -1.592 9.473 4.423 777 2HB SER 74 2HB SER 74 -1.482 8.017 5.392 778 HG SER 74 HG SER 74 0.692 9.857 5.539 779 QB SER 74 QB SER 74 -1.537 8.745 4.907 780 H ILE 75 H ILE 75 1.963 7.902 5.590 781 HA ILE 75 HA ILE 75 2.045 5.001 5.239 782 HB ILE 75 HB ILE 75 4.029 6.954 6.407 783 1HG1 ILE 75 1HG1 ILE 75 4.738 5.293 4.071 784 2HG1 ILE 75 2HG1 ILE 75 3.479 6.473 3.766 785 1HG2 ILE 75 3HG2 ILE 75 3.996 3.948 6.314 786 2HG2 ILE 75 1HG2 ILE 75 5.533 4.846 6.269 787 3HG2 ILE 75 2HG2 ILE 75 4.430 5.039 7.653 788 1HD1 ILE 75 1HD1 ILE 75 5.813 7.464 5.352 789 2HD1 ILE 75 2HD1 ILE 75 6.133 7.064 3.647 790 3HD1 ILE 75 3HD1 ILE 75 4.890 8.269 4.060 791 MG ILE 75 QG2 ILE 75 4.653 4.611 6.746 792 MD ILE 75 QD1 ILE 75 5.612 7.599 4.353 793 QG ILE 75 QG1 ILE 75 4.108 5.883 3.919 794 H MET 76 H MET 76 0.931 3.790 6.665 795 HA MET 76 HA MET 76 0.021 5.001 9.074 796 1HB MET 76 1HB MET 76 -1.500 3.486 7.960 797 2HB MET 76 2HB MET 76 -0.259 2.268 7.742 798 1HG MET 76 1HG MET 76 -0.623 1.363 9.811 799 2HG MET 76 2HG MET 76 -0.660 2.933 10.590 800 1HE MET 76 1HE MET 76 -2.137 2.919 12.028 801 2HE MET 76 2HE MET 76 -3.468 3.934 11.425 802 3HE MET 76 3HE MET 76 -3.802 2.290 12.019 803 QB MET 76 QB MET 76 -0.879 2.877 7.851 804 QG MET 76 QG MET 76 -0.642 2.148 10.201 805 ME MET 76 QE MET 76 -3.136 3.048 11.824 806 H ILE 77 H ILE 77 1.151 1.608 8.983 807 HA ILE 77 HA ILE 77 2.897 2.252 11.240 808 HB ILE 77 HB ILE 77 1.157 0.666 11.719 809 1HG1 ILE 77 1HG1 ILE 77 2.545 -1.247 12.487 810 2HG1 ILE 77 2HG1 ILE 77 3.879 -0.655 11.516 811 1HG2 ILE 77 2HG2 ILE 77 1.917 -0.442 9.109 812 2HG2 ILE 77 3HG2 ILE 77 1.682 -1.668 10.378 813 3HG2 ILE 77 1HG2 ILE 77 0.374 -0.523 9.994 814 1HD1 ILE 77 2HD1 ILE 77 2.506 0.921 13.743 815 2HD1 ILE 77 3HD1 ILE 77 4.071 0.085 13.884 816 3HD1 ILE 77 1HD1 ILE 77 3.900 1.474 12.783 817 MG ILE 77 QG2 ILE 77 1.324 -0.878 9.827 818 MD ILE 77 QD1 ILE 77 3.492 0.827 13.470 819 QG ILE 77 QG1 ILE 77 3.212 -0.951 12.001 820 H GLU 78 H GLU 78 5.091 1.669 11.253 821 HA GLU 78 HA GLU 78 6.133 1.266 8.593 822 1HB GLU 78 1HB GLU 78 7.841 1.694 11.053 823 2HB GLU 78 2HB GLU 78 8.170 2.158 9.395 824 1HG GLU 78 1HG GLU 78 5.918 3.621 9.772 825 2HG GLU 78 2HG GLU 78 6.437 3.519 11.442 826 QB GLU 78 QB GLU 78 8.005 1.926 10.224 827 QG GLU 78 QG GLU 78 6.177 3.570 10.607 828 H ASP 79 H ASP 79 8.696 0.217 10.114 829 HA ASP 79 HA ASP 79 7.825 -2.349 10.982 830 1HB ASP 79 1HB ASP 79 8.056 -2.247 8.315 831 2HB ASP 79 2HB ASP 79 9.767 -2.377 8.665 832 QB ASP 79 QB ASP 79 8.912 -2.312 8.490 833 H VAL 80 H VAL 80 9.157 -2.491 12.799 834 HA VAL 80 HA VAL 80 11.418 -1.004 13.231 835 HB VAL 80 HB VAL 80 9.955 -2.368 14.821 836 1HG1 VAL 80 2HG1 VAL 80 10.603 -4.525 13.430 837 2HG1 VAL 80 3HG1 VAL 80 11.985 -4.557 14.552 838 3HG1 VAL 80 1HG1 VAL 80 10.323 -4.609 15.187 839 1HG2 VAL 80 2HG2 VAL 80 11.985 -1.066 15.462 840 2HG2 VAL 80 3HG2 VAL 80 11.703 -2.495 16.485 841 3HG2 VAL 80 1HG2 VAL 80 12.959 -2.537 15.224 842 MG1 VAL 80 QG1 VAL 80 10.970 -4.564 14.390 843 MG2 VAL 80 QG2 VAL 80 12.216 -2.033 15.724 844 QG VAL 80 QQG VAL 80 11.593 -3.298 15.057 845 H GLN 81 H GLN 81 13.142 -0.907 11.865 846 HA GLN 81 HA GLN 81 13.895 -2.776 10.087 847 1HB GLN 81 1HB GLN 81 15.323 -0.564 11.528 848 2HB GLN 81 2HB GLN 81 16.317 -1.692 10.627 849 1HG GLN 81 1HG GLN 81 14.063 -1.043 8.963 850 2HG GLN 81 2HG GLN 81 14.669 0.465 9.617 851 1HE2 GLN 81 1HE2 GLN 81 15.793 1.364 8.051 852 2HE2 GLN 81 2HE2 GLN 81 17.089 0.641 7.158 853 QB GLN 81 QB GLN 81 15.820 -1.128 11.077 854 QG GLN 81 QG GLN 81 14.366 -0.289 9.290 855 QE GLN 81 QE2 GLN 81 16.441 1.003 7.604 No H/Q in entry = 855 Start of MODEL 7 1 H MET 1 H MET 1 26.077 -19.904 21.329 2 HA MET 1 HA MET 1 24.204 -21.484 21.294 3 1HB MET 1 1HB MET 1 24.944 -19.776 23.690 4 2HB MET 1 2HB MET 1 23.663 -20.954 23.890 5 1HG MET 1 1HG MET 1 25.106 -22.748 23.764 6 2HG MET 1 2HG MET 1 26.081 -22.012 22.508 7 1HE MET 1 2HE MET 1 27.278 -23.665 24.914 8 2HE MET 1 3HE MET 1 28.274 -22.905 23.650 9 3HE MET 1 1HE MET 1 28.671 -22.654 25.366 10 QB MET 1 QB MET 1 24.304 -20.365 23.790 11 QG MET 1 QG MET 1 25.593 -22.380 23.136 12 ME MET 1 QE MET 1 28.074 -23.075 24.643 13 H ARG 2 H ARG 2 23.011 -19.486 19.760 14 HA ARG 2 HA ARG 2 20.457 -19.343 21.094 15 1HB ARG 2 1HB ARG 2 22.050 -16.989 20.045 16 2HB ARG 2 2HB ARG 2 20.303 -16.935 19.928 17 1HG ARG 2 1HG ARG 2 20.255 -17.542 22.445 18 2HG ARG 2 2HG ARG 2 21.978 -17.221 22.457 19 1HD ARG 2 1HD ARG 2 21.606 -14.902 21.705 20 2HD ARG 2 2HD ARG 2 19.892 -15.203 21.497 21 HE ARG 2 HE ARG 2 20.393 -15.886 24.159 22 1HH1 ARG 2 2HH1 ARG 2 20.144 -14.443 25.913 23 2HH1 ARG 2 1HH1 ARG 2 20.251 -12.734 25.650 24 1HH2 ARG 2 2HH2 ARG 2 20.837 -13.006 22.187 25 2HH2 ARG 2 1HH2 ARG 2 20.649 -11.911 23.516 26 QB ARG 2 QB ARG 2 21.176 -16.962 19.986 27 QG ARG 2 QG ARG 2 21.116 -17.381 22.451 28 QD ARG 2 QD ARG 2 20.749 -15.052 21.601 29 QH1 ARG 2 QH1 ARG 2 20.198 -13.588 25.782 30 QH2 ARG 2 QH2 ARG 2 20.743 -12.458 22.852 31 H SER 3 H SER 3 18.805 -18.297 19.272 32 HA SER 3 HA SER 3 19.607 -19.301 16.676 33 1HB SER 3 1HB SER 3 17.536 -20.569 16.395 34 2HB SER 3 2HB SER 3 18.378 -21.145 17.821 35 HG SER 3 HG SER 3 16.345 -20.886 18.596 36 QB SER 3 QB SER 3 17.957 -20.857 17.108 37 H LEU 4 H LEU 4 17.348 -18.852 15.191 38 HA LEU 4 HA LEU 4 16.295 -16.252 15.957 39 1HB LEU 4 1HB LEU 4 17.932 -16.777 13.482 40 2HB LEU 4 2HB LEU 4 16.804 -15.441 13.604 41 HG LEU 4 HG LEU 4 18.488 -15.372 15.913 42 1HD1 LEU 4 3HD1 LEU 4 19.895 -16.726 14.068 43 2HD1 LEU 4 1HD1 LEU 4 20.276 -15.062 13.565 44 3HD1 LEU 4 2HD1 LEU 4 20.631 -15.593 15.227 45 1HD2 LEU 4 2HD2 LEU 4 17.236 -13.549 14.532 46 2HD2 LEU 4 3HD2 LEU 4 18.771 -13.153 15.342 47 3HD2 LEU 4 1HD2 LEU 4 18.747 -13.485 13.593 48 MD1 LEU 4 QD1 LEU 4 20.267 -15.793 14.287 49 MD2 LEU 4 QD2 LEU 4 18.251 -13.396 14.489 50 QB LEU 4 QB LEU 4 17.368 -16.109 13.543 51 QD LEU 4 QQD LEU 4 19.259 -14.595 14.388 52 H GLU 5 H GLU 5 14.419 -15.627 14.546 53 HA GLU 5 HA GLU 5 13.176 -18.060 13.523 54 1HB GLU 5 1HB GLU 5 12.258 -16.794 15.672 55 2HB GLU 5 2HB GLU 5 11.560 -15.699 14.496 56 1HG GLU 5 1HG GLU 5 9.962 -17.205 13.880 57 2HG GLU 5 2HG GLU 5 11.124 -18.510 13.741 58 QB GLU 5 QB GLU 5 11.909 -16.247 15.084 59 QG GLU 5 QG GLU 5 10.543 -17.858 13.811 60 H THR 6 H THR 6 11.016 -17.071 12.145 61 HA THR 6 HA THR 6 12.328 -15.758 9.920 62 HB THR 6 HB THR 6 10.163 -16.360 8.786 63 HG1 THR 6 HG1 THR 6 8.490 -17.009 10.140 64 1HG2 THR 6 1HG2 THR 6 11.346 -18.568 10.549 65 2HG2 THR 6 2HG2 THR 6 10.206 -18.857 9.214 66 3HG2 THR 6 3HG2 THR 6 11.820 -18.189 8.877 67 MG THR 6 QG2 THR 6 11.124 -18.538 9.547 68 H PHE 7 H PHE 7 10.848 -14.090 8.689 69 HA PHE 7 HA PHE 7 9.186 -12.435 10.201 70 1HB PHE 7 1HB PHE 7 11.076 -10.503 10.057 71 2HB PHE 7 2HB PHE 7 11.001 -11.564 11.450 72 HD1 PHE 7 HD1 PHE 7 12.559 -11.468 8.053 73 HD2 PHE 7 HD2 PHE 7 12.955 -12.577 12.131 74 HE1 PHE 7 HE1 PHE 7 14.922 -12.197 7.625 75 HE2 PHE 7 HE2 PHE 7 15.318 -13.306 11.703 76 HZ PHE 7 HZ PHE 7 16.274 -13.107 9.455 77 QB PHE 7 QB PHE 7 11.038 -11.034 10.753 78 QD PHE 7 QD PHE 7 12.757 -12.023 10.092 79 QE PHE 7 QE PHE 7 15.120 -12.752 9.664 80 QR PHE 7 QR PHE 7 14.405 -12.531 9.793 81 H VAL 8 H VAL 8 8.451 -10.556 8.961 82 HA VAL 8 HA VAL 8 9.170 -10.830 6.127 83 HB VAL 8 HB VAL 8 6.663 -9.526 7.122 84 1HG1 VAL 8 3HG1 VAL 8 7.752 -10.535 4.581 85 2HG1 VAL 8 1HG1 VAL 8 6.071 -11.028 4.894 86 3HG1 VAL 8 2HG1 VAL 8 6.505 -9.302 4.889 87 1HG2 VAL 8 3HG2 VAL 8 7.308 -12.453 7.198 88 2HG2 VAL 8 1HG2 VAL 8 6.314 -11.471 8.302 89 3HG2 VAL 8 2HG2 VAL 8 5.673 -11.947 6.710 90 MG1 VAL 8 QG1 VAL 8 6.776 -10.288 4.788 91 MG2 VAL 8 QG2 VAL 8 6.432 -11.957 7.403 92 QG VAL 8 QQG VAL 8 6.604 -11.123 6.096 93 H GLY 9 H GLY 9 8.346 -8.501 5.041 94 1HA GLY 9 2HA GLY 9 10.254 -6.710 5.182 95 2HA GLY 9 1HA GLY 9 9.406 -6.303 6.660 96 QA GLY 9 QA GLY 9 9.830 -6.506 5.921 97 H ASP 10 H ASP 10 6.699 -6.886 5.823 98 HA ASP 10 HA ASP 10 6.263 -5.410 3.425 99 1HB ASP 10 1HB ASP 10 4.603 -6.914 5.425 100 2HB ASP 10 2HB ASP 10 3.777 -5.657 4.524 101 QB ASP 10 QB ASP 10 4.190 -6.286 4.974 102 H GLN 11 H GLN 11 4.037 -3.827 3.911 103 HA GLN 11 HA GLN 11 4.170 -2.377 6.292 104 1HB GLN 11 1HB GLN 11 6.313 -1.635 5.008 105 2HB GLN 11 2HB GLN 11 5.224 -0.795 3.924 106 1HG GLN 11 1HG GLN 11 4.209 0.354 5.976 107 2HG GLN 11 2HG GLN 11 5.491 -0.361 6.933 108 1HE2 GLN 11 1HE2 GLN 11 4.543 2.275 5.161 109 2HE2 GLN 11 2HE2 GLN 11 6.068 3.045 4.879 110 QB GLN 11 QB GLN 11 5.769 -1.215 4.466 111 QG GLN 11 QG GLN 11 4.850 -0.003 6.454 112 QE GLN 11 QE2 GLN 11 5.306 2.660 5.020 113 H VAL 12 H VAL 12 2.298 -1.111 6.518 114 HA VAL 12 HA VAL 12 0.485 -1.261 4.237 115 HB VAL 12 HB VAL 12 -0.363 -0.301 6.923 116 1HG1 VAL 12 1HG1 VAL 12 -1.644 -1.029 4.574 117 2HG1 VAL 12 2HG1 VAL 12 -1.867 -2.451 5.622 118 3HG1 VAL 12 3HG1 VAL 12 -2.405 -0.846 6.173 119 1HG2 VAL 12 2HG2 VAL 12 0.649 -3.082 6.351 120 2HG2 VAL 12 3HG2 VAL 12 0.928 -2.047 7.772 121 3HG2 VAL 12 1HG2 VAL 12 -0.660 -2.814 7.527 122 MG1 VAL 12 QG1 VAL 12 -1.972 -1.442 5.456 123 MG2 VAL 12 QG2 VAL 12 0.306 -2.647 7.217 124 QG VAL 12 QQG VAL 12 -0.833 -2.045 6.336 125 H LEU 13 H LEU 13 -1.045 0.718 4.023 126 HA LEU 13 HA LEU 13 0.047 3.221 4.855 127 1HB LEU 13 1HB LEU 13 0.899 4.055 2.910 128 2HB LEU 13 2HB LEU 13 1.469 2.398 2.867 129 HG LEU 13 HG LEU 13 -0.949 2.249 1.519 130 1HD1 LEU 13 3HD1 LEU 13 0.254 4.960 1.153 131 2HD1 LEU 13 1HD1 LEU 13 -0.427 4.129 -0.267 132 3HD1 LEU 13 2HD1 LEU 13 -1.451 4.448 1.154 133 1HD2 LEU 13 3HD2 LEU 13 1.893 2.012 0.949 134 2HD2 LEU 13 1HD2 LEU 13 0.516 1.061 0.340 135 3HD2 LEU 13 2HD2 LEU 13 0.974 2.581 -0.466 136 MD1 LEU 13 QD1 LEU 13 -0.541 4.512 0.680 137 MD2 LEU 13 QD2 LEU 13 1.128 1.885 0.274 138 QB LEU 13 QB LEU 13 1.184 3.226 2.889 139 QD LEU 13 QQD LEU 13 0.293 3.198 0.477 140 H GLU 14 H GLU 14 -1.407 5.011 4.316 141 HA GLU 14 HA GLU 14 -4.078 3.966 3.899 142 1HB GLU 14 1HB GLU 14 -4.029 5.227 5.889 143 2HB GLU 14 2HB GLU 14 -2.945 6.434 5.226 144 1HG GLU 14 1HG GLU 14 -4.772 7.230 3.705 145 2HG GLU 14 2HG GLU 14 -5.856 6.032 4.383 146 QB GLU 14 QB GLU 14 -3.487 5.831 5.557 147 QG GLU 14 QG GLU 14 -5.314 6.631 4.044 148 H ILE 15 H ILE 15 -5.554 4.950 2.369 149 HA ILE 15 HA ILE 15 -4.314 6.794 0.475 150 HB ILE 15 HB ILE 15 -5.796 4.320 -0.404 151 1HG1 ILE 15 1HG1 ILE 15 -2.801 4.726 -0.530 152 2HG1 ILE 15 2HG1 ILE 15 -3.585 3.858 0.775 153 1HG2 ILE 15 1HG2 ILE 15 -4.659 6.696 -1.748 154 2HG2 ILE 15 2HG2 ILE 15 -4.314 5.128 -2.518 155 3HG2 ILE 15 3HG2 ILE 15 -5.997 5.625 -2.228 156 1HD1 ILE 15 3HD1 ILE 15 -4.381 3.063 -2.004 157 2HD1 ILE 15 1HD1 ILE 15 -2.734 2.633 -1.485 158 3HD1 ILE 15 2HD1 ILE 15 -4.139 2.054 -0.559 159 MG ILE 15 QG2 ILE 15 -4.990 5.816 -2.165 160 MD ILE 15 QD1 ILE 15 -3.751 2.583 -1.349 161 QG ILE 15 QG1 ILE 15 -3.193 4.292 0.122 162 H VAL 16 H VAL 16 -5.729 8.329 -0.345 163 HA VAL 16 HA VAL 16 -8.547 7.977 0.376 164 HB VAL 16 HB VAL 16 -6.904 10.483 0.781 165 1HG1 VAL 16 3HG1 VAL 16 -9.747 10.036 0.538 166 2HG1 VAL 16 1HG1 VAL 16 -9.355 10.617 2.175 167 3HG1 VAL 16 2HG1 VAL 16 -8.856 11.562 0.752 168 1HG2 VAL 16 2HG2 VAL 16 -7.836 8.335 2.681 169 2HG2 VAL 16 3HG2 VAL 16 -6.230 9.087 2.527 170 3HG2 VAL 16 1HG2 VAL 16 -7.578 10.005 3.241 171 MG1 VAL 16 QG1 VAL 16 -9.319 10.738 1.155 172 MG2 VAL 16 QG2 VAL 16 -7.214 9.142 2.816 173 QG VAL 16 QQG VAL 16 -8.267 9.940 1.985 174 HA PRO 17 HA PRO 17 -8.324 9.011 -3.943 175 1HB PRO 17 1HB PRO 17 -10.485 7.534 -4.725 176 2HB PRO 17 2HB PRO 17 -8.851 6.903 -4.702 177 1HG PRO 17 1HG PRO 17 -11.070 6.370 -2.823 178 2HG PRO 17 2HG PRO 17 -9.598 5.451 -3.072 179 1HD PRO 17 1HD PRO 17 -10.160 7.234 -0.898 180 2HD PRO 17 2HD PRO 17 -8.647 6.406 -1.209 181 QB PRO 17 QB PRO 17 -9.668 7.219 -4.714 182 QG PRO 17 QG PRO 17 -10.334 5.910 -2.948 183 QD PRO 17 QD PRO 17 -9.404 6.820 -1.053 184 H SER 18 H SER 18 -10.180 9.732 -5.579 185 HA SER 18 HA SER 18 -12.168 11.158 -4.066 186 1HB SER 18 1HB SER 18 -9.855 12.458 -5.459 187 2HB SER 18 2HB SER 18 -11.420 13.211 -5.691 188 HG SER 18 HG SER 18 -9.829 13.029 -3.365 189 QB SER 18 QB SER 18 -10.638 12.835 -5.575 190 H ASN 19 H ASN 19 -10.607 10.489 -7.263 191 HA ASN 19 HA ASN 19 -13.250 10.671 -8.458 192 1HB ASN 19 1HB ASN 19 -10.418 10.830 -9.575 193 2HB ASN 19 2HB ASN 19 -11.771 10.505 -10.642 194 1HD2 ASN 19 1HD2 ASN 19 -9.840 12.851 -9.521 195 2HD2 ASN 19 2HD2 ASN 19 -10.858 14.247 -9.645 196 QB ASN 19 QB ASN 19 -11.094 10.668 -10.109 197 QD ASN 19 QD2 ASN 19 -10.349 13.549 -9.583 198 H GLU 20 H GLU 20 -13.033 9.022 -10.664 199 HA GLU 20 HA GLU 20 -12.935 6.450 -9.429 200 1HB GLU 20 1HB GLU 20 -13.943 7.597 -12.008 201 2HB GLU 20 2HB GLU 20 -13.508 5.899 -12.027 202 1HG GLU 20 1HG GLU 20 -15.778 5.840 -11.379 203 2HG GLU 20 2HG GLU 20 -14.941 5.704 -9.845 204 QB GLU 20 QB GLU 20 -13.725 6.748 -12.017 205 QG GLU 20 QG GLU 20 -15.359 5.772 -10.612 206 H GLU 21 H GLU 21 -11.189 8.259 -12.022 207 HA GLU 21 HA GLU 21 -9.645 6.278 -13.003 208 1HB GLU 21 1HB GLU 21 -9.448 8.355 -14.079 209 2HB GLU 21 2HB GLU 21 -9.204 9.232 -12.581 210 1HG GLU 21 1HG GLU 21 -7.105 9.034 -13.950 211 2HG GLU 21 2HG GLU 21 -6.938 8.350 -12.344 212 QB GLU 21 QB GLU 21 -9.326 8.793 -13.330 213 QG GLU 21 QG GLU 21 -7.022 8.692 -13.147 214 H GLN 22 H GLN 22 -8.870 8.408 -10.160 215 HA GLN 22 HA GLN 22 -6.456 7.290 -9.562 216 1HB GLN 22 1HB GLN 22 -8.555 8.789 -8.041 217 2HB GLN 22 2HB GLN 22 -7.346 7.962 -7.080 218 1HG GLN 22 1HG GLN 22 -5.528 9.132 -8.238 219 2HG GLN 22 2HG GLN 22 -6.649 9.832 -9.390 220 1HE2 GLN 22 1HE2 GLN 22 -6.640 11.924 -9.019 221 2HE2 GLN 22 2HE2 GLN 22 -6.913 12.712 -7.501 222 QB GLN 22 QB GLN 22 -7.951 8.376 -7.560 223 QG GLN 22 QG GLN 22 -6.089 9.482 -8.814 224 QE GLN 22 QE2 GLN 22 -6.776 12.318 -8.260 225 H ILE 23 H ILE 23 -9.775 6.246 -8.620 226 HA ILE 23 HA ILE 23 -8.880 4.198 -6.886 227 HB ILE 23 HB ILE 23 -11.472 4.975 -8.161 228 1HG1 ILE 23 1HG1 ILE 23 -10.732 4.566 -5.254 229 2HG1 ILE 23 2HG1 ILE 23 -10.522 6.089 -6.095 230 1HG2 ILE 23 1HG2 ILE 23 -11.434 2.535 -8.315 231 2HG2 ILE 23 2HG2 ILE 23 -11.027 2.424 -6.585 232 3HG2 ILE 23 3HG2 ILE 23 -12.599 3.089 -7.088 233 1HD1 ILE 23 2HD1 ILE 23 -13.180 4.600 -5.905 234 2HD1 ILE 23 3HD1 ILE 23 -12.698 5.942 -4.841 235 3HD1 ILE 23 1HD1 ILE 23 -12.920 6.225 -6.584 236 MG ILE 23 QG2 ILE 23 -11.687 2.683 -7.329 237 MD ILE 23 QD1 ILE 23 -12.933 5.589 -5.777 238 QG ILE 23 QG1 ILE 23 -10.627 5.327 -5.674 239 H LYS 24 H LYS 24 -9.803 4.360 -10.366 240 HA LYS 24 HA LYS 24 -9.695 1.611 -10.829 241 1HB LYS 24 1HB LYS 24 -10.766 2.747 -12.506 242 2HB LYS 24 2HB LYS 24 -9.644 4.093 -12.483 243 1HG LYS 24 1HG LYS 24 -7.997 2.911 -13.739 244 2HG LYS 24 2HG LYS 24 -8.701 1.348 -13.373 245 1HD LYS 24 1HD LYS 24 -10.038 1.447 -15.204 246 2HD LYS 24 2HD LYS 24 -10.690 2.997 -14.709 247 1HE LYS 24 1HE LYS 24 -8.153 3.717 -15.578 248 2HE LYS 24 2HE LYS 24 -8.529 2.393 -16.662 249 1HZ LYS 24 2HZ LYS 24 -10.786 3.667 -16.792 250 2HZ LYS 24 3HZ LYS 24 -9.858 4.946 -16.382 251 3HZ LYS 24 1HZ LYS 24 -9.520 4.093 -17.732 252 QB LYS 24 QB LYS 24 -10.205 3.420 -12.494 253 QD LYS 24 QD LYS 24 -10.364 2.222 -14.956 254 QG LYS 24 QG LYS 24 -8.349 2.129 -13.556 255 QE LYS 24 QE LYS 24 -8.341 3.055 -16.120 256 QZ LYS 24 QZ LYS 24 -10.055 4.235 -16.969 257 H ASN 25 H ASN 25 -7.218 3.920 -10.087 258 HA ASN 25 HA ASN 25 -5.133 2.785 -11.529 259 1HB ASN 25 1HB ASN 25 -5.355 5.028 -10.059 260 2HB ASN 25 2HB ASN 25 -4.684 4.016 -8.795 261 1HD2 ASN 25 1HD2 ASN 25 -2.582 3.937 -8.633 262 2HD2 ASN 25 2HD2 ASN 25 -1.417 4.275 -9.869 263 QB ASN 25 QB ASN 25 -5.019 4.522 -9.427 264 QD ASN 25 QD2 ASN 25 -1.999 4.106 -9.251 265 H LEU 26 H LEU 26 -6.281 2.409 -8.093 266 HA LEU 26 HA LEU 26 -4.366 0.523 -7.340 267 1HB LEU 26 1HB LEU 26 -6.964 1.518 -6.309 268 2HB LEU 26 2HB LEU 26 -6.418 -0.032 -5.701 269 HG LEU 26 HG LEU 26 -4.879 2.575 -5.551 270 1HD1 LEU 26 1HD1 LEU 26 -7.010 1.745 -3.995 271 2HD1 LEU 26 2HD1 LEU 26 -5.586 1.262 -3.041 272 3HD1 LEU 26 3HD1 LEU 26 -5.784 2.956 -3.550 273 1HD2 LEU 26 2HD2 LEU 26 -4.161 -0.230 -4.698 274 2HD2 LEU 26 3HD2 LEU 26 -3.244 0.895 -5.728 275 3HD2 LEU 26 1HD2 LEU 26 -3.402 1.212 -3.983 276 MD1 LEU 26 QD1 LEU 26 -6.127 1.988 -3.529 277 MD2 LEU 26 QD2 LEU 26 -3.602 0.626 -4.803 278 QB LEU 26 QB LEU 26 -6.691 0.743 -6.005 279 QD LEU 26 QQD LEU 26 -4.864 1.307 -4.166 280 H LEU 27 H LEU 27 -7.670 0.192 -8.761 281 HA LEU 27 HA LEU 27 -7.938 -2.524 -8.565 282 1HB LEU 27 1HB LEU 27 -8.931 -0.428 -10.438 283 2HB LEU 27 2HB LEU 27 -9.178 -2.107 -10.875 284 HG LEU 27 HG LEU 27 -9.961 -1.727 -8.129 285 1HD1 LEU 27 1HD1 LEU 27 -10.203 0.671 -9.100 286 2HD1 LEU 27 2HD1 LEU 27 -11.611 -0.001 -9.956 287 3HD1 LEU 27 3HD1 LEU 27 -11.548 -0.041 -8.177 288 1HD2 LEU 27 1HD2 LEU 27 -11.069 -2.786 -10.663 289 2HD2 LEU 27 2HD2 LEU 27 -11.041 -3.490 -9.028 290 3HD2 LEU 27 3HD2 LEU 27 -12.258 -2.261 -9.447 291 MD1 LEU 27 QD1 LEU 27 -11.120 0.210 -9.078 292 MD2 LEU 27 QD2 LEU 27 -11.456 -2.846 -9.712 293 QB LEU 27 QB LEU 27 -9.055 -1.267 -10.657 294 QD LEU 27 QQD LEU 27 -11.288 -1.318 -9.395 295 H GLN 28 H GLN 28 -6.396 -0.639 -11.259 296 HA GLN 28 HA GLN 28 -5.685 -2.823 -12.751 297 1HB GLN 28 1HB GLN 28 -5.510 -0.181 -13.136 298 2HB GLN 28 2HB GLN 28 -3.853 -0.431 -12.625 299 1HG GLN 28 1HG GLN 28 -4.538 -2.521 -14.503 300 2HG GLN 28 2HG GLN 28 -5.024 -0.987 -15.197 301 1HE2 GLN 28 1HE2 GLN 28 -2.656 -3.097 -15.259 302 2HE2 GLN 28 2HE2 GLN 28 -1.251 -2.104 -15.454 303 QB GLN 28 QB GLN 28 -4.681 -0.306 -12.881 304 QG GLN 28 QG GLN 28 -4.781 -1.754 -14.850 305 QE GLN 28 QE2 GLN 28 -1.953 -2.600 -15.357 306 H LEU 29 H LEU 29 -4.098 -1.306 -9.921 307 HA LEU 29 HA LEU 29 -1.681 -2.758 -10.184 308 1HB LEU 29 1HB LEU 29 -1.550 -0.756 -9.011 309 2HB LEU 29 2HB LEU 29 -2.975 -1.099 -8.049 310 HG LEU 29 HG LEU 29 -1.477 -3.076 -7.114 311 1HD1 LEU 29 2HD1 LEU 29 0.446 -1.324 -8.541 312 2HD1 LEU 29 3HD1 LEU 29 0.908 -1.851 -6.905 313 3HD1 LEU 29 1HD1 LEU 29 0.529 -3.061 -8.156 314 1HD2 LEU 29 3HD2 LEU 29 -1.694 -0.208 -6.347 315 2HD2 LEU 29 1HD2 LEU 29 -2.203 -1.676 -5.479 316 3HD2 LEU 29 2HD2 LEU 29 -0.488 -1.201 -5.494 317 MD1 LEU 29 QD1 LEU 29 0.628 -2.079 -7.868 318 MD2 LEU 29 QD2 LEU 29 -1.462 -1.029 -5.773 319 QB LEU 29 QB LEU 29 -2.263 -0.928 -8.530 320 QD LEU 29 QQD LEU 29 -0.417 -1.554 -6.820 321 H GLU 30 H GLU 30 -4.368 -3.056 -7.748 322 HA GLU 30 HA GLU 30 -3.539 -5.391 -6.668 323 1HB GLU 30 1HB GLU 30 -5.572 -3.779 -6.134 324 2HB GLU 30 2HB GLU 30 -6.490 -4.904 -7.116 325 1HG GLU 30 1HG GLU 30 -4.993 -6.588 -5.436 326 2HG GLU 30 2HG GLU 30 -5.412 -5.246 -4.390 327 QB GLU 30 QB GLU 30 -6.031 -4.342 -6.625 328 QG GLU 30 QG GLU 30 -5.202 -5.917 -4.913 329 H ALA 31 H ALA 31 -5.152 -4.823 -9.781 330 HA ALA 31 HA ALA 31 -6.066 -7.426 -10.237 331 1HB ALA 31 2HB ALA 31 -5.991 -6.664 -12.650 332 2HB ALA 31 3HB ALA 31 -6.865 -5.570 -11.551 333 3HB ALA 31 1HB ALA 31 -5.215 -5.165 -12.085 334 MB ALA 31 QB ALA 31 -6.024 -5.799 -12.096 335 H GLN 32 H GLN 32 -2.944 -5.766 -11.024 336 HA GLN 32 HA GLN 32 -1.791 -7.735 -12.471 337 1HB GLN 32 1HB GLN 32 -0.784 -5.566 -10.668 338 2HB GLN 32 2HB GLN 32 0.375 -6.802 -11.113 339 1HG GLN 32 1HG GLN 32 -1.339 -5.294 -13.141 340 2HG GLN 32 2HG GLN 32 0.282 -4.803 -12.692 341 1HE2 GLN 32 1HE2 GLN 32 1.899 -5.550 -13.832 342 2HE2 GLN 32 2HE2 GLN 32 1.902 -6.946 -14.858 343 QB GLN 32 QB GLN 32 -0.205 -6.184 -10.891 344 QG GLN 32 QG GLN 32 -0.528 -5.049 -12.917 345 QE GLN 32 QE2 GLN 32 1.901 -6.248 -14.345 346 H GLU 33 H GLU 33 -1.976 -9.896 -11.925 347 HA GLU 33 HA GLU 33 -2.224 -10.997 -9.527 348 1HB GLU 33 1HB GLU 33 -2.036 -12.030 -11.955 349 2HB GLU 33 2HB GLU 33 -0.366 -12.324 -11.512 350 1HG GLU 33 1HG GLU 33 -1.137 -14.252 -10.567 351 2HG GLU 33 2HG GLU 33 -1.684 -13.230 -9.251 352 QB GLU 33 QB GLU 33 -1.201 -12.177 -11.733 353 QG GLU 33 QG GLU 33 -1.411 -13.741 -9.909 354 H HIS 34 H HIS 34 0.828 -9.837 -11.014 355 HA HIS 34 HA HIS 34 2.571 -10.986 -9.182 356 1HB HIS 34 1HB HIS 34 3.118 -8.310 -10.426 357 2HB HIS 34 2HB HIS 34 4.213 -9.648 -10.141 358 HD1 HIS 34 HD1 HIS 34 3.732 -11.857 -11.736 359 HD2 HIS 34 HD2 HIS 34 2.135 -8.185 -12.985 360 HE1 HIS 34 HE1 HIS 34 3.194 -12.118 -14.217 361 HE2 HIS 34 HE2 HIS 34 2.166 -9.848 -14.915 362 QB HIS 34 QB HIS 34 3.666 -8.979 -10.284 363 H LEU 35 H LEU 35 0.853 -7.802 -9.196 364 HA LEU 35 HA LEU 35 1.801 -7.395 -6.457 365 1HB LEU 35 1HB LEU 35 0.971 -5.614 -8.690 366 2HB LEU 35 2HB LEU 35 0.611 -5.083 -7.059 367 HG LEU 35 HG LEU 35 3.366 -5.825 -8.083 368 1HD1 LEU 35 2HD1 LEU 35 2.228 -3.706 -9.003 369 2HD1 LEU 35 3HD1 LEU 35 2.449 -3.046 -7.365 370 3HD1 LEU 35 1HD1 LEU 35 3.864 -3.558 -8.315 371 1HD2 LEU 35 1HD2 LEU 35 2.434 -5.786 -5.456 372 2HD2 LEU 35 2HD2 LEU 35 4.130 -5.747 -5.996 373 3HD2 LEU 35 3HD2 LEU 35 3.268 -4.227 -5.660 374 MD1 LEU 35 QD1 LEU 35 2.847 -3.436 -8.228 375 MD2 LEU 35 QD2 LEU 35 3.277 -5.253 -5.704 376 QB LEU 35 QB LEU 35 0.791 -5.348 -7.874 377 QD LEU 35 QQD LEU 35 3.062 -4.345 -6.966 378 H GLN 36 H GLN 36 0.028 -9.466 -6.605 379 HA GLN 36 HA GLN 36 -2.638 -8.634 -6.494 380 1HB GLN 36 1HB GLN 36 -2.198 -10.931 -7.000 381 2HB GLN 36 2HB GLN 36 -1.174 -11.137 -5.593 382 1HG GLN 36 1HG GLN 36 -3.780 -10.227 -4.708 383 2HG GLN 36 2HG GLN 36 -4.005 -11.579 -5.799 384 1HE2 GLN 36 1HE2 GLN 36 -3.601 -10.747 -2.679 385 2HE2 GLN 36 2HE2 GLN 36 -2.916 -12.192 -2.012 386 QB GLN 36 QB GLN 36 -1.686 -11.034 -6.296 387 QG GLN 36 QG GLN 36 -3.892 -10.903 -5.253 388 QE GLN 36 QE2 GLN 36 -3.259 -11.469 -2.346 389 H LEU 37 H LEU 37 -1.989 -6.669 -5.033 390 HA LEU 37 HA LEU 37 -1.541 -7.285 -2.279 391 1HB LEU 37 1HB LEU 37 -2.477 -4.618 -3.240 392 2HB LEU 37 2HB LEU 37 -1.344 -5.016 -1.963 393 HG LEU 37 HG LEU 37 -0.256 -5.922 -4.462 394 1HD1 LEU 37 1HD1 LEU 37 -1.745 -4.285 -5.516 395 2HD1 LEU 37 2HD1 LEU 37 -1.085 -3.006 -4.468 396 3HD1 LEU 37 3HD1 LEU 37 -0.036 -3.811 -5.660 397 1HD2 LEU 37 1HD2 LEU 37 0.650 -4.880 -2.097 398 2HD2 LEU 37 2HD2 LEU 37 1.634 -5.135 -3.557 399 3HD2 LEU 37 3HD2 LEU 37 0.929 -3.535 -3.228 400 MD1 LEU 37 QD1 LEU 37 -0.956 -3.701 -5.215 401 MD2 LEU 37 QD2 LEU 37 1.071 -4.517 -2.961 402 QB LEU 37 QB LEU 37 -1.910 -4.817 -2.601 403 QD LEU 37 QQD LEU 37 0.058 -4.109 -4.088 404 H ASP 38 H ASP 38 -3.035 -6.735 -0.514 405 HA ASP 38 HA ASP 38 -5.769 -7.206 -1.395 406 1HB ASP 38 1HB ASP 38 -4.153 -8.024 1.001 407 2HB ASP 38 2HB ASP 38 -5.849 -7.684 1.290 408 QB ASP 38 QB ASP 38 -5.001 -7.854 1.145 409 H PHE 39 H PHE 39 -7.265 -5.551 -0.983 410 HA PHE 39 HA PHE 39 -6.279 -3.239 0.471 411 1HB PHE 39 1HB PHE 39 -8.775 -3.871 -1.214 412 2HB PHE 39 2HB PHE 39 -8.457 -2.288 -0.533 413 HD1 PHE 39 HD1 PHE 39 -8.683 -3.463 -3.513 414 HD2 PHE 39 HD2 PHE 39 -5.514 -2.097 -1.045 415 HE1 PHE 39 HE1 PHE 39 -7.357 -2.851 -5.555 416 HE2 PHE 39 HE2 PHE 39 -4.187 -1.486 -3.086 417 HZ PHE 39 HZ PHE 39 -5.125 -1.870 -5.316 418 QB PHE 39 QB PHE 39 -8.616 -3.079 -0.874 419 QD PHE 39 QD PHE 39 -7.098 -2.780 -2.279 420 QE PHE 39 QE PHE 39 -5.772 -2.169 -4.320 421 QR PHE 39 QR PHE 39 -6.173 -2.354 -3.703 422 H TRP 40 H TRP 40 -6.900 -2.742 2.524 423 HA TRP 40 HA TRP 40 -8.444 -4.516 4.024 424 1HB TRP 40 1HB TRP 40 -7.353 -1.761 4.445 425 2HB TRP 40 2HB TRP 40 -8.511 -2.407 5.591 426 HD1 TRP 40 HD1 TRP 40 -6.230 -5.076 4.197 427 HE1 TRP 40 HE1 TRP 40 -4.395 -5.838 5.934 428 HE3 TRP 40 HE3 TRP 40 -7.057 -1.313 7.516 429 HZ2 TRP 40 HZ2 TRP 40 -3.515 -4.804 8.444 430 HZ3 TRP 40 HZ3 TRP 40 -5.668 -1.263 9.585 431 HH2 TRP 40 HH2 TRP 40 -3.946 -2.929 10.073 432 QB TRP 40 QB TRP 40 -7.932 -2.084 5.018 433 H LYS 41 H LYS 41 -9.179 -1.247 2.613 434 HA LYS 41 HA LYS 41 -12.011 -1.786 3.112 435 1HB LYS 41 1HB LYS 41 -10.336 0.674 2.931 436 2HB LYS 41 2HB LYS 41 -11.975 0.786 2.322 437 1HG LYS 41 1HG LYS 41 -12.379 -0.585 4.695 438 2HG LYS 41 2HG LYS 41 -11.014 0.430 5.118 439 1HD LYS 41 1HD LYS 41 -13.019 1.685 5.634 440 2HD LYS 41 2HD LYS 41 -12.293 2.432 4.225 441 1HE LYS 41 1HE LYS 41 -14.421 2.257 3.366 442 2HE LYS 41 2HE LYS 41 -13.907 0.629 2.966 443 1HZ LYS 41 2HZ LYS 41 -15.147 1.268 5.543 444 2HZ LYS 41 3HZ LYS 41 -16.030 0.856 4.233 445 3HZ LYS 41 1HZ LYS 41 -14.955 -0.203 4.859 446 QB LYS 41 QB LYS 41 -11.156 0.730 2.627 447 QD LYS 41 QD LYS 41 -12.656 2.059 4.929 448 QG LYS 41 QG LYS 41 -11.697 -0.077 4.907 449 QE LYS 41 QE LYS 41 -14.164 1.443 3.166 450 QZ LYS 41 QZ LYS 41 -15.377 0.641 4.879 451 H SER 42 H SER 42 -13.186 -0.196 1.156 452 HA SER 42 HA SER 42 -12.358 -1.656 -1.228 453 1HB SER 42 1HB SER 42 -15.078 -0.383 -0.994 454 2HB SER 42 2HB SER 42 -14.601 -1.819 -1.877 455 HG SER 42 HG SER 42 -14.891 -3.053 -0.124 456 QB SER 42 QB SER 42 -14.839 -1.101 -1.435 457 HA PRO 43 HA PRO 43 -11.403 2.520 -2.423 458 1HB PRO 43 1HB PRO 43 -9.562 1.885 -4.341 459 2HB PRO 43 2HB PRO 43 -9.147 2.121 -2.655 460 1HG PRO 43 1HG PRO 43 -9.366 -0.406 -4.173 461 2HG PRO 43 2HG PRO 43 -8.558 -0.109 -2.647 462 1HD PRO 43 1HD PRO 43 -11.093 -1.398 -3.025 463 2HD PRO 43 2HD PRO 43 -10.339 -0.998 -1.495 464 QB PRO 43 QB PRO 43 -9.354 2.003 -3.498 465 QG PRO 43 QG PRO 43 -8.962 -0.258 -3.410 466 QD PRO 43 QD PRO 43 -10.716 -1.198 -2.260 467 H THR 44 H THR 44 -12.735 -0.070 -4.141 468 HA THR 44 HA THR 44 -13.046 0.779 -6.667 469 HB THR 44 HB THR 44 -14.806 -0.642 -4.664 470 HG1 THR 44 HG1 THR 44 -12.933 -1.466 -6.049 471 1HG2 THR 44 3HG2 THR 44 -15.684 0.504 -7.322 472 2HG2 THR 44 1HG2 THR 44 -16.173 -1.160 -6.924 473 3HG2 THR 44 2HG2 THR 44 -16.651 0.185 -5.861 474 MG THR 44 QG2 THR 44 -16.169 -0.157 -6.702 475 H THR 45 H THR 45 -14.393 2.334 -3.783 476 HA THR 45 HA THR 45 -15.464 4.411 -5.571 477 HB THR 45 HB THR 45 -17.467 4.519 -4.255 478 HG1 THR 45 HG1 THR 45 -17.453 3.352 -2.169 479 1HG2 THR 45 2HG2 THR 45 -16.636 1.568 -4.280 480 2HG2 THR 45 3HG2 THR 45 -18.293 2.166 -4.020 481 3HG2 THR 45 1HG2 THR 45 -17.496 2.410 -5.593 482 MG THR 45 QG2 THR 45 -17.475 2.048 -4.631 483 HA PRO 46 HA PRO 46 -13.205 7.136 -3.149 484 1HB PRO 46 1HB PRO 46 -14.586 9.470 -3.481 485 2HB PRO 46 2HB PRO 46 -13.474 8.837 -4.677 486 1HG PRO 46 1HG PRO 46 -16.429 8.845 -4.717 487 2HG PRO 46 2HG PRO 46 -15.315 8.617 -6.050 488 1HD PRO 46 1HD PRO 46 -16.822 6.580 -4.706 489 2HD PRO 46 2HD PRO 46 -15.622 6.341 -5.959 490 QB PRO 46 QB PRO 46 -14.030 9.153 -4.079 491 QG PRO 46 QG PRO 46 -15.872 8.731 -5.383 492 QD PRO 46 QD PRO 46 -16.222 6.461 -5.332 493 H GLY 47 H GLY 47 -13.772 9.297 -1.592 494 1HA GLY 47 2HA GLY 47 -15.889 9.119 0.131 495 2HA GLY 47 1HA GLY 47 -14.300 9.724 0.553 496 QA GLY 47 QA GLY 47 -15.095 9.422 0.342 497 H GLU 48 H GLU 48 -13.156 6.918 -0.211 498 HA GLU 48 HA GLU 48 -13.749 5.783 2.392 499 1HB GLU 48 1HB GLU 48 -13.715 4.200 -0.217 500 2HB GLU 48 2HB GLU 48 -13.822 3.491 1.383 501 1HG GLU 48 1HG GLU 48 -15.849 5.467 1.349 502 2HG GLU 48 2HG GLU 48 -15.929 4.732 -0.240 503 QB GLU 48 QB GLU 48 -13.769 3.845 0.583 504 QG GLU 48 QG GLU 48 -15.889 5.099 0.554 505 H THR 49 H THR 49 -11.853 5.550 3.490 506 HA THR 49 HA THR 49 -9.367 5.774 2.077 507 HB THR 49 HB THR 49 -8.556 5.430 4.549 508 HG1 THR 49 HG1 THR 49 -10.482 4.428 5.344 509 1HG2 THR 49 1HG2 THR 49 -9.916 7.692 3.290 510 2HG2 THR 49 2HG2 THR 49 -10.301 7.636 5.027 511 3HG2 THR 49 3HG2 THR 49 -8.605 7.715 4.493 512 MG THR 49 QG2 THR 49 -9.607 7.681 4.270 513 H ALA 50 H ALA 50 -7.755 4.251 1.765 514 HA ALA 50 HA ALA 50 -8.645 1.486 2.227 515 1HB ALA 50 2HB ALA 50 -6.879 1.222 0.215 516 2HB ALA 50 1HB ALA 50 -7.411 2.889 -0.111 517 3HB ALA 50 3HB ALA 50 -8.602 1.566 -0.070 518 MB ALA 50 QB ALA 50 -7.631 1.892 0.011 519 H HIS 51 H HIS 51 -6.918 -0.076 2.717 520 HA HIS 51 HA HIS 51 -4.370 1.044 3.447 521 1HB HIS 51 1HB HIS 51 -5.706 -0.457 5.650 522 2HB HIS 51 2HB HIS 51 -4.455 0.767 5.721 523 HD1 HIS 51 HD1 HIS 51 -7.996 0.298 6.315 524 HD2 HIS 51 HD2 HIS 51 -5.575 3.491 5.077 525 HE1 HIS 51 HE1 HIS 51 -9.358 2.420 6.704 526 HE2 HIS 51 HE2 HIS 51 -7.798 4.352 5.975 527 QB HIS 51 QB HIS 51 -5.080 0.155 5.685 528 H VAL 52 H VAL 52 -3.263 -0.333 2.089 529 HA VAL 52 HA VAL 52 -3.783 -3.197 2.499 530 HB VAL 52 HB VAL 52 -4.316 -2.950 0.310 531 1HG1 VAL 52 3HG1 VAL 52 -2.442 -0.586 0.306 532 2HG1 VAL 52 1HG1 VAL 52 -3.037 -1.292 -1.215 533 3HG1 VAL 52 2HG1 VAL 52 -4.189 -0.638 -0.028 534 1HG2 VAL 52 1HG2 VAL 52 -2.036 -4.251 0.687 535 2HG2 VAL 52 2HG2 VAL 52 -2.692 -3.982 -0.945 536 3HG2 VAL 52 3HG2 VAL 52 -1.389 -2.939 -0.326 537 MG1 VAL 52 QG1 VAL 52 -3.223 -0.839 -0.312 538 MG2 VAL 52 QG2 VAL 52 -2.039 -3.724 -0.195 539 QG VAL 52 QQG VAL 52 -2.631 -2.281 -0.254 540 H ARG 53 H ARG 53 -1.981 -4.584 2.786 541 HA ARG 53 HA ARG 53 0.258 -3.203 3.886 542 1HB ARG 53 1HB ARG 53 -0.239 -6.207 3.579 543 2HB ARG 53 2HB ARG 53 0.997 -5.479 4.585 544 1HG ARG 53 1HG ARG 53 -0.893 -4.246 5.822 545 2HG ARG 53 2HG ARG 53 -2.024 -5.250 4.937 546 1HD ARG 53 1HD ARG 53 0.254 -6.497 6.524 547 2HD ARG 53 2HD ARG 53 -1.250 -6.051 7.307 548 HE ARG 53 HE ARG 53 -1.771 -7.599 4.916 549 1HH1 ARG 53 2HH1 ARG 53 -2.487 -9.760 5.120 550 2HH1 ARG 53 1HH1 ARG 53 -2.274 -10.605 6.617 551 1HH2 ARG 53 2HH2 ARG 53 -0.718 -7.906 8.259 552 2HH2 ARG 53 1HH2 ARG 53 -1.261 -9.543 8.414 553 QB ARG 53 QB ARG 53 0.379 -5.843 4.082 554 QG ARG 53 QG ARG 53 -1.459 -4.748 5.379 555 QD ARG 53 QD ARG 53 -0.498 -6.274 6.916 556 QH1 ARG 53 QH1 ARG 53 -2.381 -10.182 5.868 557 QH2 ARG 53 QH2 ARG 53 -0.989 -8.724 8.337 558 H VAL 54 H VAL 54 1.305 -2.263 2.022 559 HA VAL 54 HA VAL 54 2.048 -4.006 -0.151 560 HB VAL 54 HB VAL 54 1.369 -1.827 -0.740 561 1HG1 VAL 54 3HG1 VAL 54 3.193 -0.931 1.484 562 2HG1 VAL 54 1HG1 VAL 54 2.779 0.178 0.154 563 3HG1 VAL 54 2HG1 VAL 54 1.491 -0.509 1.173 564 1HG2 VAL 54 1HG2 VAL 54 4.323 -2.332 -0.957 565 2HG2 VAL 54 2HG2 VAL 54 3.068 -2.353 -2.218 566 3HG2 VAL 54 3HG2 VAL 54 3.646 -0.802 -1.565 567 MG1 VAL 54 QG1 VAL 54 2.488 -0.421 0.937 568 MG2 VAL 54 QG2 VAL 54 3.679 -1.829 -1.580 569 QG VAL 54 QQG VAL 54 3.083 -1.125 -0.321 570 HA PRO 55 HA PRO 55 5.913 -5.023 1.507 571 1HB PRO 55 1HB PRO 55 7.180 -5.919 -0.742 572 2HB PRO 55 2HB PRO 55 6.059 -6.900 0.181 573 1HG PRO 55 1HG PRO 55 5.641 -5.557 -2.420 574 2HG PRO 55 2HG PRO 55 4.719 -6.860 -1.696 575 1HD PRO 55 1HD PRO 55 3.966 -4.096 -1.834 576 2HD PRO 55 2HD PRO 55 3.101 -5.378 -1.010 577 QB PRO 55 QB PRO 55 6.620 -6.409 -0.281 578 QG PRO 55 QG PRO 55 5.180 -6.209 -2.058 579 QD PRO 55 QD PRO 55 3.534 -4.737 -1.422 580 H PHE 56 H PHE 56 7.740 -4.033 2.168 581 HA PHE 56 HA PHE 56 8.190 -1.458 1.436 582 1HB PHE 56 1HB PHE 56 9.186 -3.139 3.270 583 2HB PHE 56 2HB PHE 56 10.435 -3.434 2.077 584 HD1 PHE 56 HD1 PHE 56 9.100 -1.070 4.492 585 HD2 PHE 56 HD2 PHE 56 11.985 -1.630 1.430 586 HE1 PHE 56 HE1 PHE 56 10.345 0.956 5.295 587 HE2 PHE 56 HE2 PHE 56 13.230 0.396 2.233 588 HZ PHE 56 HZ PHE 56 12.396 1.665 4.155 589 QB PHE 56 QB PHE 56 9.811 -3.286 2.673 590 QD PHE 56 QD PHE 56 10.543 -1.350 2.961 591 QE PHE 56 QE PHE 56 11.787 0.676 3.764 592 QR PHE 56 QR PHE 56 11.411 0.063 3.521 593 H VAL 57 H VAL 57 9.478 -4.457 -0.078 594 HA VAL 57 HA VAL 57 11.327 -3.138 -1.742 595 HB VAL 57 HB VAL 57 11.665 -5.412 -1.310 596 1HG1 VAL 57 1HG1 VAL 57 8.749 -5.711 -1.963 597 2HG1 VAL 57 2HG1 VAL 57 9.839 -7.102 -2.172 598 3HG1 VAL 57 3HG1 VAL 57 9.675 -6.330 -0.576 599 1HG2 VAL 57 2HG2 VAL 57 12.176 -4.765 -3.626 600 2HG2 VAL 57 3HG2 VAL 57 11.676 -6.470 -3.522 601 3HG2 VAL 57 1HG2 VAL 57 10.535 -5.244 -4.125 602 MG1 VAL 57 QG1 VAL 57 9.421 -6.381 -1.570 603 MG2 VAL 57 QG2 VAL 57 11.462 -5.493 -3.758 604 QG VAL 57 QQG VAL 57 10.442 -5.937 -2.664 605 H ASN 58 H ASN 58 7.851 -3.425 -1.759 606 HA ASN 58 HA ASN 58 7.867 -2.485 -4.520 607 1HB ASN 58 1HB ASN 58 6.634 -4.709 -3.891 608 2HB ASN 58 2HB ASN 58 5.468 -3.693 -3.067 609 1HD2 ASN 58 1HD2 ASN 58 6.553 -4.959 -6.026 610 2HD2 ASN 58 2HD2 ASN 58 5.460 -4.156 -7.103 611 QB ASN 58 QB ASN 58 6.051 -4.201 -3.479 612 QD ASN 58 QD2 ASN 58 6.006 -4.558 -6.564 613 H VAL 59 H VAL 59 7.999 -1.250 -1.570 614 HA VAL 59 HA VAL 59 5.569 0.242 -1.386 615 HB VAL 59 HB VAL 59 8.122 -0.030 0.108 616 1HG1 VAL 59 3HG1 VAL 59 7.988 2.404 -0.207 617 2HG1 VAL 59 1HG1 VAL 59 6.322 2.396 0.421 618 3HG1 VAL 59 2HG1 VAL 59 7.677 1.950 1.486 619 1HG2 VAL 59 3HG2 VAL 59 6.061 -1.329 0.639 620 2HG2 VAL 59 1HG2 VAL 59 6.638 -0.331 1.995 621 3HG2 VAL 59 2HG2 VAL 59 5.239 0.200 1.031 622 MG1 VAL 59 QG1 VAL 59 7.329 2.250 0.567 623 MG2 VAL 59 QG2 VAL 59 5.980 -0.486 1.222 624 QG VAL 59 QQG VAL 59 6.654 0.882 0.894 625 H GLN 60 H GLN 60 8.848 0.691 -2.734 626 HA GLN 60 HA GLN 60 8.579 3.458 -3.082 627 1HB GLN 60 1HB GLN 60 10.712 1.944 -3.094 628 2HB GLN 60 2HB GLN 60 10.345 1.673 -4.785 629 1HG GLN 60 1HG GLN 60 11.774 3.540 -4.890 630 2HG GLN 60 2HG GLN 60 10.191 4.289 -4.955 631 1HE2 GLN 60 1HE2 GLN 60 13.117 4.609 -3.675 632 2HE2 GLN 60 2HE2 GLN 60 12.783 5.397 -2.170 633 QB GLN 60 QB GLN 60 10.528 1.808 -3.940 634 QG GLN 60 QG GLN 60 10.982 3.914 -4.923 635 QE GLN 60 QE2 GLN 60 12.950 5.003 -2.922 636 H ALA 61 H ALA 61 8.607 0.789 -5.565 637 HA ALA 61 HA ALA 61 7.798 2.233 -7.712 638 1HB ALA 61 1HB ALA 61 7.576 0.186 -8.698 639 2HB ALA 61 2HB ALA 61 8.302 -0.388 -7.177 640 3HB ALA 61 3HB ALA 61 6.536 -0.445 -7.399 641 MB ALA 61 QB ALA 61 7.471 -0.216 -7.758 642 H VAL 62 H VAL 62 5.862 1.106 -4.932 643 HA VAL 62 HA VAL 62 3.370 1.744 -6.173 644 HB VAL 62 HB VAL 62 4.294 0.938 -3.431 645 1HG1 VAL 62 3HG1 VAL 62 1.886 2.453 -4.061 646 2HG1 VAL 62 1HG1 VAL 62 1.505 0.865 -3.354 647 3HG1 VAL 62 2HG1 VAL 62 2.567 1.995 -2.481 648 1HG2 VAL 62 2HG2 VAL 62 3.767 -0.568 -5.593 649 2HG2 VAL 62 3HG2 VAL 62 3.444 -1.117 -3.930 650 3HG2 VAL 62 1HG2 VAL 62 2.122 -0.456 -4.921 651 MG1 VAL 62 QG1 VAL 62 1.986 1.771 -3.299 652 MG2 VAL 62 QG2 VAL 62 3.111 -0.713 -4.815 653 QG VAL 62 QQG VAL 62 2.548 0.529 -4.057 654 H LYS 63 H LYS 63 5.622 3.303 -3.823 655 HA LYS 63 HA LYS 63 3.996 5.473 -3.215 656 1HB LYS 63 1HB LYS 63 6.903 4.828 -3.023 657 2HB LYS 63 2HB LYS 63 6.446 6.513 -2.884 658 1HG LYS 63 1HG LYS 63 4.549 5.120 -1.300 659 2HG LYS 63 2HG LYS 63 6.078 4.335 -0.959 660 1HD LYS 63 1HD LYS 63 7.118 6.487 -0.374 661 2HD LYS 63 2HD LYS 63 5.683 7.361 -0.874 662 1HE LYS 63 1HE LYS 63 5.208 7.246 1.385 663 2HE LYS 63 2HE LYS 63 4.509 5.708 0.917 664 1HZ LYS 63 1HZ LYS 63 7.334 5.759 1.557 665 2HZ LYS 63 2HZ LYS 63 6.275 5.877 2.795 666 3HZ LYS 63 3HZ LYS 63 6.234 4.578 1.806 667 QB LYS 63 QB LYS 63 6.674 5.671 -2.953 668 QD LYS 63 QD LYS 63 6.401 6.924 -0.624 669 QG LYS 63 QG LYS 63 5.314 4.727 -1.129 670 QE LYS 63 QE LYS 63 4.858 6.477 1.151 671 QZ LYS 63 QZ LYS 63 6.615 5.405 2.053 672 H VAL 64 H VAL 64 6.074 4.750 -6.016 673 HA VAL 64 HA VAL 64 5.968 7.428 -7.011 674 HB VAL 64 HB VAL 64 6.923 4.767 -8.034 675 1HG1 VAL 64 2HG1 VAL 64 6.319 7.225 -9.604 676 2HG1 VAL 64 3HG1 VAL 64 7.870 6.416 -9.937 677 3HG1 VAL 64 1HG1 VAL 64 6.342 5.517 -10.104 678 1HG2 VAL 64 1HG2 VAL 64 8.309 7.394 -7.401 679 2HG2 VAL 64 2HG2 VAL 64 8.365 5.898 -6.439 680 3HG2 VAL 64 3HG2 VAL 64 9.108 5.944 -8.055 681 MG1 VAL 64 QG1 VAL 64 6.844 6.386 -9.882 682 MG2 VAL 64 QG2 VAL 64 8.594 6.412 -7.298 683 QG VAL 64 QQG VAL 64 7.719 6.399 -8.590 684 H PHE 65 H PHE 65 4.087 4.414 -7.340 685 HA PHE 65 HA PHE 65 2.676 5.140 -9.640 686 1HB PHE 65 1HB PHE 65 2.906 2.877 -8.354 687 2HB PHE 65 2HB PHE 65 1.739 3.508 -7.210 688 HD1 PHE 65 HD1 PHE 65 1.702 3.936 -10.898 689 HD2 PHE 65 HD2 PHE 65 -0.075 2.061 -7.531 690 HE1 PHE 65 HE1 PHE 65 -0.171 3.105 -12.348 691 HE2 PHE 65 HE2 PHE 65 -1.947 1.230 -8.982 692 HZ PHE 65 HZ PHE 65 -1.973 1.762 -11.373 693 QB PHE 65 QB PHE 65 2.323 3.193 -7.782 694 QD PHE 65 QD PHE 65 0.813 2.999 -9.215 695 QE PHE 65 QE PHE 65 -1.059 2.167 -10.665 696 QR PHE 65 QR PHE 65 -0.493 2.419 -10.226 697 H LEU 66 H LEU 66 1.716 5.320 -6.133 698 HA LEU 66 HA LEU 66 -0.729 6.453 -6.430 699 1HB LEU 66 1HB LEU 66 1.403 6.729 -4.337 700 2HB LEU 66 2HB LEU 66 -0.098 7.623 -4.198 701 HG LEU 66 HG LEU 66 -0.598 4.813 -4.771 702 1HD1 LEU 66 2HD1 LEU 66 1.646 4.731 -3.532 703 2HD1 LEU 66 3HD1 LEU 66 0.736 5.290 -2.109 704 3HD1 LEU 66 1HD1 LEU 66 0.306 3.750 -2.892 705 1HD2 LEU 66 3HD2 LEU 66 -1.449 6.862 -2.749 706 2HD2 LEU 66 1HD2 LEU 66 -2.414 5.986 -3.961 707 3HD2 LEU 66 2HD2 LEU 66 -1.841 5.144 -2.501 708 MD1 LEU 66 QD1 LEU 66 0.896 4.590 -2.845 709 MD2 LEU 66 QD2 LEU 66 -1.902 5.997 -3.070 710 QB LEU 66 QB LEU 66 0.653 7.176 -4.268 711 QD LEU 66 QQD LEU 66 -0.503 5.294 -2.957 712 H GLU 67 H GLU 67 2.423 8.239 -6.138 713 HA GLU 67 HA GLU 67 1.326 10.734 -6.469 714 1HB GLU 67 1HB GLU 67 4.044 9.518 -6.766 715 2HB GLU 67 2HB GLU 67 3.815 11.082 -7.520 716 1HG GLU 67 1HG GLU 67 2.655 10.957 -4.803 717 2HG GLU 67 2HG GLU 67 4.376 10.627 -4.812 718 QB GLU 67 QB GLU 67 3.929 10.300 -7.143 719 QG GLU 67 QG GLU 67 3.515 10.792 -4.807 720 H SER 68 H SER 68 2.596 8.385 -8.906 721 HA SER 68 HA SER 68 2.452 10.000 -11.096 722 1HB SER 68 1HB SER 68 2.764 8.057 -12.339 723 2HB SER 68 2HB SER 68 3.278 7.512 -10.756 724 HG SER 68 HG SER 68 1.075 6.726 -12.285 725 QB SER 68 QB SER 68 3.021 7.784 -11.548 726 H GLN 69 H GLN 69 -0.100 7.984 -9.524 727 HA GLN 69 HA GLN 69 -2.012 8.704 -11.506 728 1HB GLN 69 1HB GLN 69 -3.599 7.439 -10.053 729 2HB GLN 69 2HB GLN 69 -2.157 6.516 -10.426 730 1HG GLN 69 1HG GLN 69 -1.186 7.010 -8.234 731 2HG GLN 69 2HG GLN 69 -2.463 8.153 -7.868 732 1HE2 GLN 69 1HE2 GLN 69 -4.743 7.024 -8.490 733 2HE2 GLN 69 2HE2 GLN 69 -5.029 5.540 -7.643 734 QB GLN 69 QB GLN 69 -2.878 6.978 -10.239 735 QG GLN 69 QG GLN 69 -1.824 7.581 -8.051 736 QE GLN 69 QE2 GLN 69 -4.886 6.282 -8.066 737 H GLY 70 H GLY 70 -0.531 10.614 -9.371 738 1HA GLY 70 2HA GLY 70 -2.353 12.669 -9.371 739 2HA GLY 70 1HA GLY 70 -1.035 12.485 -8.231 740 QA GLY 70 QA GLY 70 -1.694 12.577 -8.801 741 H ILE 71 H ILE 71 -1.675 10.302 -6.687 742 HA ILE 71 HA ILE 71 -4.354 10.943 -5.667 743 HB ILE 71 HB ILE 71 -3.889 8.627 -6.572 744 1HG1 ILE 71 1HG1 ILE 71 -4.666 8.387 -3.696 745 2HG1 ILE 71 2HG1 ILE 71 -5.602 9.471 -4.706 746 1HG2 ILE 71 1HG2 ILE 71 -1.564 8.685 -5.295 747 2HG2 ILE 71 2HG2 ILE 71 -2.542 7.975 -3.989 748 3HG2 ILE 71 3HG2 ILE 71 -2.451 7.166 -5.572 749 1HD1 ILE 71 1HD1 ILE 71 -5.558 7.397 -6.404 750 2HD1 ILE 71 2HD1 ILE 71 -5.291 6.484 -4.899 751 3HD1 ILE 71 3HD1 ILE 71 -6.751 7.485 -5.085 752 MG ILE 71 QG2 ILE 71 -2.186 7.942 -4.952 753 MD ILE 71 QD1 ILE 71 -5.867 7.122 -5.463 754 QG ILE 71 QG1 ILE 71 -5.134 8.929 -4.201 755 H ALA 72 H ALA 72 -4.371 10.226 -3.135 756 HA ALA 72 HA ALA 72 -1.971 11.421 -1.935 757 1HB ALA 72 3HB ALA 72 -4.180 12.873 -2.182 758 2HB ALA 72 1HB ALA 72 -4.701 11.918 -0.774 759 3HB ALA 72 2HB ALA 72 -3.228 12.912 -0.678 760 MB ALA 72 QB ALA 72 -4.037 12.568 -1.211 761 H TYR 73 H TYR 73 -1.035 10.033 -0.528 762 HA TYR 73 HA TYR 73 -2.810 8.108 0.813 763 1HB TYR 73 1HB TYR 73 -0.506 6.738 0.654 764 2HB TYR 73 2HB TYR 73 -1.559 6.789 -0.746 765 HD1 TYR 73 HD1 TYR 73 1.741 7.291 0.393 766 HD2 TYR 73 HD2 TYR 73 -1.105 8.801 -2.423 767 HE1 TYR 73 HE1 TYR 73 3.628 8.273 -1.001 768 HE2 TYR 73 HE2 TYR 73 0.792 9.777 -3.806 769 HH TYR 73 HH TYR 73 4.059 9.824 -2.603 770 QB TYR 73 QB TYR 73 -1.033 6.764 -0.046 771 QD TYR 73 QD TYR 73 0.318 8.046 -1.015 772 QE TYR 73 QE TYR 73 2.210 9.025 -2.403 773 QR TYR 73 QR TYR 73 1.264 8.535 -1.709 774 H SER 74 H SER 74 -0.969 6.923 2.513 775 HA SER 74 HA SER 74 0.586 8.929 3.779 776 1HB SER 74 1HB SER 74 -2.126 8.204 4.826 777 2HB SER 74 2HB SER 74 -0.842 8.315 6.013 778 HG SER 74 HG SER 74 -0.668 10.464 5.711 779 QB SER 74 QB SER 74 -1.484 8.259 5.420 780 H ILE 75 H ILE 75 1.802 7.986 5.685 781 HA ILE 75 HA ILE 75 2.111 5.110 5.269 782 HB ILE 75 HB ILE 75 3.938 7.176 6.498 783 1HG1 ILE 75 1HG1 ILE 75 5.343 6.408 4.442 784 2HG1 ILE 75 2HG1 ILE 75 3.813 5.847 3.797 785 1HG2 ILE 75 1HG2 ILE 75 3.896 4.305 6.780 786 2HG2 ILE 75 2HG2 ILE 75 5.365 4.825 5.918 787 3HG2 ILE 75 3HG2 ILE 75 4.983 5.507 7.518 788 1HD1 ILE 75 2HD1 ILE 75 3.532 8.537 4.923 789 2HD1 ILE 75 3HD1 ILE 75 4.816 8.479 3.692 790 3HD1 ILE 75 1HD1 ILE 75 3.165 7.959 3.281 791 MG ILE 75 QG2 ILE 75 4.748 4.879 6.739 792 MD ILE 75 QD1 ILE 75 3.838 8.325 3.965 793 QG ILE 75 QG1 ILE 75 4.578 6.128 4.120 794 H MET 76 H MET 76 1.079 3.790 6.659 795 HA MET 76 HA MET 76 0.165 4.885 9.140 796 1HB MET 76 1HB MET 76 -0.976 3.155 7.442 797 2HB MET 76 2HB MET 76 -0.044 1.960 8.323 798 1HG MET 76 1HG MET 76 -2.022 3.926 9.579 799 2HG MET 76 2HG MET 76 -2.338 2.228 9.276 800 1HE MET 76 1HE MET 76 -2.352 4.192 11.748 801 2HE MET 76 2HE MET 76 -2.769 2.587 12.395 802 3HE MET 76 3HE MET 76 -1.448 3.527 13.129 803 QB MET 76 QB MET 76 -0.510 2.558 7.883 804 QG MET 76 QG MET 76 -2.180 3.077 9.427 805 ME MET 76 QE MET 76 -2.190 3.435 12.424 806 H ILE 77 H ILE 77 1.892 1.787 8.305 807 HA ILE 77 HA ILE 77 3.430 2.168 10.779 808 HB ILE 77 HB ILE 77 1.829 0.397 11.064 809 1HG1 ILE 77 1HG1 ILE 77 3.388 -1.489 11.546 810 2HG1 ILE 77 2HG1 ILE 77 4.652 -0.642 10.675 811 1HG2 ILE 77 3HG2 ILE 77 2.335 -0.131 8.319 812 2HG2 ILE 77 1HG2 ILE 77 2.772 -1.592 9.239 813 3HG2 ILE 77 2HG2 ILE 77 1.142 -0.893 9.399 814 1HD1 ILE 77 1HD1 ILE 77 3.472 1.218 12.536 815 2HD1 ILE 77 2HD1 ILE 77 3.849 -0.288 13.405 816 3HD1 ILE 77 3HD1 ILE 77 5.130 0.573 12.520 817 MG ILE 77 QG2 ILE 77 2.083 -0.872 8.986 818 MD ILE 77 QD1 ILE 77 4.150 0.501 12.820 819 QG ILE 77 QG1 ILE 77 4.020 -1.065 11.110 820 H GLU 78 H GLU 78 5.627 1.142 10.725 821 HA GLU 78 HA GLU 78 6.622 1.073 7.986 822 1HB GLU 78 1HB GLU 78 7.136 3.191 9.512 823 2HB GLU 78 2HB GLU 78 8.340 2.139 10.229 824 1HG GLU 78 1HG GLU 78 8.710 1.719 7.485 825 2HG GLU 78 2HG GLU 78 8.319 3.426 7.566 826 QB GLU 78 QB GLU 78 7.738 2.665 9.870 827 QG GLU 78 QG GLU 78 8.514 2.573 7.526 828 H ASP 79 H ASP 79 9.403 0.709 9.375 829 HA ASP 79 HA ASP 79 9.200 -2.124 9.432 830 1HB ASP 79 1HB ASP 79 11.384 -0.063 9.523 831 2HB ASP 79 2HB ASP 79 11.764 -1.626 10.219 832 QB ASP 79 QB ASP 79 11.574 -0.845 9.871 833 H VAL 80 H VAL 80 7.690 -2.057 11.420 834 HA VAL 80 HA VAL 80 9.158 -1.508 13.893 835 HB VAL 80 HB VAL 80 6.821 -0.537 13.216 836 1HG1 VAL 80 3HG1 VAL 80 5.806 -2.736 12.706 837 2HG1 VAL 80 1HG1 VAL 80 6.016 -3.212 14.409 838 3HG1 VAL 80 2HG1 VAL 80 4.928 -1.867 13.988 839 1HG2 VAL 80 3HG2 VAL 80 7.707 -1.587 15.898 840 2HG2 VAL 80 1HG2 VAL 80 7.667 0.087 15.295 841 3HG2 VAL 80 2HG2 VAL 80 6.151 -0.741 15.722 842 MG1 VAL 80 QG1 VAL 80 5.583 -2.605 13.701 843 MG2 VAL 80 QG2 VAL 80 7.175 -0.747 15.638 844 QG VAL 80 QQG VAL 80 6.379 -1.676 14.670 845 H GLN 81 H GLN 81 10.101 -3.208 14.888 846 HA GLN 81 HA GLN 81 9.794 -5.788 13.991 847 1HB GLN 81 1HB GLN 81 11.146 -6.430 15.906 848 2HB GLN 81 2HB GLN 81 11.735 -4.893 15.307 849 1HG GLN 81 1HG GLN 81 11.564 -4.223 17.489 850 2HG GLN 81 2HG GLN 81 9.864 -4.013 17.116 851 1HE2 GLN 81 1HE2 GLN 81 9.052 -4.490 19.078 852 2HE2 GLN 81 2HE2 GLN 81 9.121 -6.047 19.834 853 QB GLN 81 QB GLN 81 11.441 -5.661 15.606 854 QG GLN 81 QG GLN 81 10.714 -4.118 17.302 855 QE GLN 81 QE2 GLN 81 9.086 -5.269 19.456 No H/Q in entry = 855 Start of MODEL 8 1 H MET 1 H MET 1 17.820 -27.369 -2.394 2 HA MET 1 HA MET 1 18.823 -29.276 -1.540 3 1HB MET 1 1HB MET 1 20.482 -27.553 -3.392 4 2HB MET 1 2HB MET 1 21.237 -29.015 -2.786 5 1HG MET 1 1HG MET 1 19.875 -30.395 -4.031 6 2HG MET 1 2HG MET 1 18.451 -29.410 -3.759 7 1HE MET 1 2HE MET 1 19.386 -30.939 -6.211 8 2HE MET 1 3HE MET 1 19.703 -29.936 -7.648 9 3HE MET 1 1HE MET 1 21.041 -30.387 -6.564 10 QB MET 1 QB MET 1 20.860 -28.284 -3.089 11 QG MET 1 QG MET 1 19.163 -29.903 -3.895 12 ME MET 1 QE MET 1 20.043 -30.421 -6.808 13 H ARG 2 H ARG 2 20.756 -26.297 -0.928 14 HA ARG 2 HA ARG 2 21.406 -27.199 1.632 15 1HB ARG 2 1HB ARG 2 23.048 -28.488 0.023 16 2HB ARG 2 2HB ARG 2 23.849 -26.940 -0.165 17 1HG ARG 2 1HG ARG 2 25.041 -27.708 1.662 18 2HG ARG 2 2HG ARG 2 23.720 -26.948 2.528 19 1HD ARG 2 1HD ARG 2 22.576 -29.061 2.840 20 2HD ARG 2 2HD ARG 2 23.609 -29.876 1.682 21 HE ARG 2 HE ARG 2 25.252 -28.776 3.757 22 1HH1 ARG 2 2HH1 ARG 2 26.103 -30.120 5.398 23 2HH1 ARG 2 1HH1 ARG 2 25.375 -31.658 5.721 24 1HH2 ARG 2 2HH2 ARG 2 22.892 -31.334 3.244 25 2HH2 ARG 2 1HH2 ARG 2 23.536 -32.352 4.487 26 QB ARG 2 QB ARG 2 23.449 -27.714 -0.071 27 QG ARG 2 QG ARG 2 24.381 -27.328 2.095 28 QD ARG 2 QD ARG 2 23.092 -29.468 2.261 29 QH1 ARG 2 QH1 ARG 2 25.739 -30.889 5.559 30 QH2 ARG 2 QH2 ARG 2 23.214 -31.843 3.866 31 H SER 3 H SER 3 20.251 -25.000 1.597 32 HA SER 3 HA SER 3 22.206 -22.992 1.949 33 1HB SER 3 1HB SER 3 21.177 -21.367 0.311 34 2HB SER 3 2HB SER 3 22.034 -22.697 -0.442 35 HG SER 3 HG SER 3 19.296 -23.179 0.043 36 QB SER 3 QB SER 3 21.605 -22.032 -0.066 37 H LEU 4 H LEU 4 20.838 -20.742 2.335 38 HA LEU 4 HA LEU 4 18.555 -21.565 3.988 39 1HB LEU 4 1HB LEU 4 20.545 -19.320 4.317 40 2HB LEU 4 2HB LEU 4 19.073 -19.458 5.258 41 HG LEU 4 HG LEU 4 20.457 -21.959 5.419 42 1HD1 LEU 4 3HD1 LEU 4 22.196 -19.523 5.818 43 2HD1 LEU 4 1HD1 LEU 4 22.510 -21.071 6.641 44 3HD1 LEU 4 2HD1 LEU 4 22.527 -20.989 4.863 45 1HD2 LEU 4 3HD2 LEU 4 18.884 -20.492 7.022 46 2HD2 LEU 4 1HD2 LEU 4 19.958 -21.780 7.620 47 3HD2 LEU 4 2HD2 LEU 4 20.470 -20.078 7.718 48 MD1 LEU 4 QD1 LEU 4 22.411 -20.528 5.774 49 MD2 LEU 4 QD2 LEU 4 19.771 -20.784 7.453 50 QB LEU 4 QB LEU 4 19.809 -19.389 4.787 51 QD LEU 4 QQD LEU 4 21.091 -20.656 6.614 52 H GLU 5 H GLU 5 17.045 -19.484 4.360 53 HA GLU 5 HA GLU 5 16.582 -18.432 1.678 54 1HB GLU 5 1HB GLU 5 14.894 -20.110 2.872 55 2HB GLU 5 2HB GLU 5 14.372 -18.669 3.722 56 1HG GLU 5 1HG GLU 5 13.597 -17.618 1.761 57 2HG GLU 5 2HG GLU 5 14.663 -18.536 0.717 58 QB GLU 5 QB GLU 5 14.633 -19.389 3.297 59 QG GLU 5 QG GLU 5 14.130 -18.077 1.239 60 H THR 6 H THR 6 15.550 -16.237 1.596 61 HA THR 6 HA THR 6 16.257 -14.659 3.983 62 HB THR 6 HB THR 6 16.887 -12.866 2.316 63 HG1 THR 6 HG1 THR 6 17.070 -13.858 0.063 64 1HG2 THR 6 1HG2 THR 6 18.488 -14.939 3.052 65 2HG2 THR 6 2HG2 THR 6 18.363 -15.290 1.312 66 3HG2 THR 6 3HG2 THR 6 19.009 -13.725 1.859 67 MG THR 6 QG2 THR 6 18.620 -14.651 2.075 68 H PHE 7 H PHE 7 15.137 -12.352 3.745 69 HA PHE 7 HA PHE 7 12.605 -12.368 2.485 70 1HB PHE 7 1HB PHE 7 12.967 -13.034 5.446 71 2HB PHE 7 2HB PHE 7 11.529 -12.165 4.943 72 HD1 PHE 7 HD1 PHE 7 12.743 -15.310 5.657 73 HD2 PHE 7 HD2 PHE 7 10.376 -13.307 2.759 74 HE1 PHE 7 HE1 PHE 7 11.639 -17.483 5.057 75 HE2 PHE 7 HE2 PHE 7 9.272 -15.480 2.159 76 HZ PHE 7 HZ PHE 7 9.917 -17.542 3.315 77 QB PHE 7 QB PHE 7 12.248 -12.600 5.194 78 QD PHE 7 QD PHE 7 11.559 -14.308 4.208 79 QE PHE 7 QE PHE 7 10.456 -16.482 3.608 80 QR PHE 7 QR PHE 7 10.790 -15.824 3.790 81 H VAL 8 H VAL 8 11.201 -10.485 3.839 82 HA VAL 8 HA VAL 8 13.073 -8.392 4.610 83 HB VAL 8 HB VAL 8 12.515 -8.416 2.078 84 1HG1 VAL 8 1HG1 VAL 8 9.905 -8.389 3.048 85 2HG1 VAL 8 2HG1 VAL 8 10.191 -6.708 2.535 86 3HG1 VAL 8 3HG1 VAL 8 10.420 -8.043 1.380 87 1HG2 VAL 8 3HG2 VAL 8 12.837 -6.262 4.017 88 2HG2 VAL 8 1HG2 VAL 8 13.569 -6.471 2.408 89 3HG2 VAL 8 2HG2 VAL 8 11.960 -5.725 2.565 90 MG1 VAL 8 QG1 VAL 8 10.172 -7.713 2.321 91 MG2 VAL 8 QG2 VAL 8 12.789 -6.153 2.997 92 QG VAL 8 QQG VAL 8 11.481 -6.933 2.659 93 H GLY 9 H GLY 9 10.774 -6.429 4.361 94 1HA GLY 9 2HA GLY 9 9.840 -6.034 6.724 95 2HA GLY 9 1HA GLY 9 8.949 -7.510 6.404 96 QA GLY 9 QA GLY 9 9.395 -6.772 6.564 97 H ASP 10 H ASP 10 6.866 -7.081 5.836 98 HA ASP 10 HA ASP 10 6.381 -5.432 3.598 99 1HB ASP 10 1HB ASP 10 4.771 -7.128 5.484 100 2HB ASP 10 2HB ASP 10 3.894 -5.872 4.633 101 QB ASP 10 QB ASP 10 4.333 -6.500 5.058 102 H GLN 11 H GLN 11 4.064 -3.999 4.121 103 HA GLN 11 HA GLN 11 4.037 -2.683 6.571 104 1HB GLN 11 1HB GLN 11 6.210 -1.798 5.322 105 2HB GLN 11 2HB GLN 11 5.064 -0.825 4.421 106 1HG GLN 11 1HG GLN 11 5.955 0.362 6.443 107 2HG GLN 11 2HG GLN 11 4.210 0.201 6.472 108 1HE2 GLN 11 1HE2 GLN 11 7.227 -1.281 7.579 109 2HE2 GLN 11 2HE2 GLN 11 6.624 -1.954 9.057 110 QB GLN 11 QB GLN 11 5.637 -1.311 4.871 111 QG GLN 11 QG GLN 11 5.083 0.282 6.457 112 QE GLN 11 QE2 GLN 11 6.925 -1.617 8.318 113 H VAL 12 H VAL 12 2.254 -1.161 6.698 114 HA VAL 12 HA VAL 12 0.459 -1.434 4.404 115 HB VAL 12 HB VAL 12 -0.419 -0.347 7.033 116 1HG1 VAL 12 1HG1 VAL 12 -1.602 -2.194 4.939 117 2HG1 VAL 12 2HG1 VAL 12 -2.393 -1.829 6.491 118 3HG1 VAL 12 3HG1 VAL 12 -2.079 -0.522 5.323 119 1HG2 VAL 12 2HG2 VAL 12 0.377 -3.236 6.577 120 2HG2 VAL 12 3HG2 VAL 12 0.950 -2.127 7.847 121 3HG2 VAL 12 1HG2 VAL 12 -0.731 -2.713 7.868 122 MG1 VAL 12 QG1 VAL 12 -2.025 -1.515 5.584 123 MG2 VAL 12 QG2 VAL 12 0.199 -2.692 7.431 124 QG VAL 12 QQG VAL 12 -0.913 -2.103 6.507 125 H LEU 13 H LEU 13 -1.044 0.559 4.090 126 HA LEU 13 HA LEU 13 0.147 3.072 4.794 127 1HB LEU 13 1HB LEU 13 0.942 3.773 2.785 128 2HB LEU 13 2HB LEU 13 1.404 2.083 2.751 129 HG LEU 13 HG LEU 13 -1.108 2.069 1.567 130 1HD1 LEU 13 3HD1 LEU 13 0.404 4.529 0.647 131 2HD1 LEU 13 1HD1 LEU 13 -0.984 3.799 -0.195 132 3HD1 LEU 13 2HD1 LEU 13 -1.192 4.482 1.436 133 1HD2 LEU 13 3HD2 LEU 13 1.687 1.673 0.784 134 2HD2 LEU 13 1HD2 LEU 13 0.236 0.714 0.407 135 3HD2 LEU 13 2HD2 LEU 13 0.628 2.152 -0.565 136 MD1 LEU 13 QD1 LEU 13 -0.591 4.270 0.629 137 MD2 LEU 13 QD2 LEU 13 0.851 1.513 0.209 138 QB LEU 13 QB LEU 13 1.173 2.928 2.768 139 QD LEU 13 QQD LEU 13 0.130 2.892 0.419 140 H GLU 14 H GLU 14 -1.336 4.800 4.570 141 HA GLU 14 HA GLU 14 -4.027 3.842 4.079 142 1HB GLU 14 1HB GLU 14 -4.559 6.183 5.155 143 2HB GLU 14 2HB GLU 14 -4.009 4.869 6.177 144 1HG GLU 14 1HG GLU 14 -1.894 5.806 6.499 145 2HG GLU 14 2HG GLU 14 -1.891 6.615 4.945 146 QB GLU 14 QB GLU 14 -4.284 5.526 5.666 147 QG GLU 14 QG GLU 14 -1.893 6.210 5.722 148 H ILE 15 H ILE 15 -5.145 4.422 2.259 149 HA ILE 15 HA ILE 15 -4.016 6.641 0.700 150 HB ILE 15 HB ILE 15 -5.472 4.185 -0.287 151 1HG1 ILE 15 1HG1 ILE 15 -2.595 4.753 -0.894 152 2HG1 ILE 15 2HG1 ILE 15 -2.996 4.085 0.676 153 1HG2 ILE 15 3HG2 ILE 15 -4.986 6.743 -1.496 154 2HG2 ILE 15 1HG2 ILE 15 -4.054 5.493 -2.354 155 3HG2 ILE 15 2HG2 ILE 15 -5.815 5.314 -2.162 156 1HD1 ILE 15 3HD1 ILE 15 -4.460 2.370 -0.711 157 2HD1 ILE 15 1HD1 ILE 15 -3.417 2.873 -2.062 158 3HD1 ILE 15 2HD1 ILE 15 -2.697 2.142 -0.607 159 MG ILE 15 QG2 ILE 15 -4.952 5.850 -2.004 160 MD ILE 15 QD1 ILE 15 -3.525 2.462 -1.127 161 QG ILE 15 QG1 ILE 15 -2.796 4.419 -0.109 162 H VAL 16 H VAL 16 -5.451 8.177 -0.195 163 HA VAL 16 HA VAL 16 -8.244 7.887 0.643 164 HB VAL 16 HB VAL 16 -6.613 10.416 0.924 165 1HG1 VAL 16 3HG1 VAL 16 -9.224 10.365 0.580 166 2HG1 VAL 16 1HG1 VAL 16 -9.232 9.884 2.294 167 3HG1 VAL 16 2HG1 VAL 16 -8.492 11.429 1.806 168 1HG2 VAL 16 2HG2 VAL 16 -6.876 8.102 2.713 169 2HG2 VAL 16 3HG2 VAL 16 -5.714 9.450 2.742 170 3HG2 VAL 16 1HG2 VAL 16 -7.322 9.646 3.478 171 MG1 VAL 16 QG1 VAL 16 -8.983 10.559 1.560 172 MG2 VAL 16 QG2 VAL 16 -6.637 9.066 2.977 173 QG VAL 16 QQG VAL 16 -7.810 9.813 2.269 174 HA PRO 17 HA PRO 17 -8.215 8.890 -3.678 175 1HB PRO 17 1HB PRO 17 -10.523 7.570 -4.311 176 2HB PRO 17 2HB PRO 17 -8.942 6.816 -4.367 177 1HG PRO 17 1HG PRO 17 -11.086 6.482 -2.359 178 2HG PRO 17 2HG PRO 17 -9.704 5.451 -2.672 179 1HD PRO 17 1HD PRO 17 -10.006 7.303 -0.502 180 2HD PRO 17 2HD PRO 17 -8.581 6.357 -0.882 181 QB PRO 17 QB PRO 17 -9.732 7.193 -4.339 182 QG PRO 17 QG PRO 17 -10.395 5.967 -2.515 183 QD PRO 17 QD PRO 17 -9.293 6.830 -0.692 184 H SER 18 H SER 18 -10.210 9.640 -5.208 185 HA SER 18 HA SER 18 -12.105 11.121 -3.743 186 1HB SER 18 1HB SER 18 -10.441 12.743 -3.295 187 2HB SER 18 2HB SER 18 -9.675 12.538 -4.858 188 HG SER 18 HG SER 18 -12.004 14.029 -4.159 189 QB SER 18 QB SER 18 -10.058 12.641 -4.077 190 H ASN 19 H ASN 19 -10.235 10.656 -6.791 191 HA ASN 19 HA ASN 19 -12.675 11.235 -8.260 192 1HB ASN 19 1HB ASN 19 -9.729 11.368 -8.882 193 2HB ASN 19 2HB ASN 19 -10.784 10.929 -10.211 194 1HD2 ASN 19 1HD2 ASN 19 -9.541 13.415 -8.291 195 2HD2 ASN 19 2HD2 ASN 19 -10.485 14.744 -8.877 196 QB ASN 19 QB ASN 19 -10.256 11.148 -9.546 197 QD ASN 19 QD2 ASN 19 -10.013 14.080 -8.584 198 H GLU 20 H GLU 20 -12.813 9.748 -10.386 199 HA GLU 20 HA GLU 20 -12.747 7.062 -9.422 200 1HB GLU 20 1HB GLU 20 -13.731 8.321 -12.016 201 2HB GLU 20 2HB GLU 20 -13.817 6.598 -11.707 202 1HG GLU 20 1HG GLU 20 -15.613 6.827 -10.321 203 2HG GLU 20 2HG GLU 20 -14.868 8.143 -9.436 204 QB GLU 20 QB GLU 20 -13.774 7.459 -11.861 205 QG GLU 20 QG GLU 20 -15.240 7.485 -9.879 206 H GLU 21 H GLU 21 -10.957 9.137 -11.703 207 HA GLU 21 HA GLU 21 -9.706 7.117 -13.120 208 1HB GLU 21 1HB GLU 21 -9.537 9.254 -14.076 209 2HB GLU 21 2HB GLU 21 -9.113 10.021 -12.559 210 1HG GLU 21 1HG GLU 21 -6.863 9.370 -12.685 211 2HG GLU 21 2HG GLU 21 -7.211 7.958 -13.663 212 QB GLU 21 QB GLU 21 -9.325 9.638 -13.318 213 QG GLU 21 QG GLU 21 -7.037 8.664 -13.174 214 H GLN 22 H GLN 22 -8.849 8.804 -10.050 215 HA GLN 22 HA GLN 22 -6.337 7.600 -9.829 216 1HB GLN 22 1HB GLN 22 -8.192 9.082 -7.969 217 2HB GLN 22 2HB GLN 22 -6.822 8.236 -7.278 218 1HG GLN 22 1HG GLN 22 -5.373 9.830 -7.997 219 2HG GLN 22 2HG GLN 22 -5.969 9.719 -9.641 220 1HE2 GLN 22 1HE2 GLN 22 -6.613 11.094 -6.451 221 2HE2 GLN 22 2HE2 GLN 22 -7.460 12.511 -6.975 222 QB GLN 22 QB GLN 22 -7.507 8.659 -7.623 223 QG GLN 22 QG GLN 22 -5.671 9.774 -8.819 224 QE GLN 22 QE2 GLN 22 -7.037 11.803 -6.713 225 H ILE 23 H ILE 23 -9.628 6.752 -8.633 226 HA ILE 23 HA ILE 23 -8.717 4.545 -7.097 227 HB ILE 23 HB ILE 23 -11.343 5.662 -7.964 228 1HG1 ILE 23 1HG1 ILE 23 -10.216 4.899 -5.254 229 2HG1 ILE 23 2HG1 ILE 23 -10.148 6.503 -5.957 230 1HG2 ILE 23 3HG2 ILE 23 -10.826 2.815 -7.359 231 2HG2 ILE 23 1HG2 ILE 23 -12.165 3.565 -6.456 232 3HG2 ILE 23 2HG2 ILE 23 -12.170 3.587 -8.236 233 1HD1 ILE 23 1HD1 ILE 23 -12.872 5.387 -6.042 234 2HD1 ILE 23 2HD1 ILE 23 -12.227 5.491 -4.386 235 3HD1 ILE 23 3HD1 ILE 23 -12.307 6.950 -5.404 236 MG ILE 23 QG2 ILE 23 -11.720 3.322 -7.350 237 MD ILE 23 QD1 ILE 23 -12.469 5.943 -5.277 238 QG ILE 23 QG1 ILE 23 -10.182 5.701 -5.606 239 H LYS 24 H LYS 24 -9.838 5.057 -10.459 240 HA LYS 24 HA LYS 24 -10.125 2.328 -11.075 241 1HB LYS 24 1HB LYS 24 -11.232 3.678 -12.562 242 2HB LYS 24 2HB LYS 24 -9.975 4.899 -12.584 243 1HG LYS 24 1HG LYS 24 -8.544 3.532 -13.993 244 2HG LYS 24 2HG LYS 24 -9.558 2.122 -13.770 245 1HD LYS 24 1HD LYS 24 -10.704 4.652 -14.998 246 2HD LYS 24 2HD LYS 24 -9.792 3.527 -15.984 247 1HE LYS 24 1HE LYS 24 -12.149 2.644 -14.261 248 2HE LYS 24 2HE LYS 24 -12.348 3.179 -15.918 249 1HZ LYS 24 3HZ LYS 24 -10.708 1.459 -16.530 250 2HZ LYS 24 1HZ LYS 24 -10.744 0.902 -14.995 251 3HZ LYS 24 2HZ LYS 24 -12.093 0.852 -15.913 252 QB LYS 24 QB LYS 24 -10.604 4.289 -12.573 253 QD LYS 24 QD LYS 24 -10.248 4.090 -15.491 254 QG LYS 24 QG LYS 24 -9.051 2.827 -13.882 255 QE LYS 24 QE LYS 24 -12.248 2.912 -15.089 256 QZ LYS 24 QZ LYS 24 -11.182 1.071 -15.813 257 H ASN 25 H ASN 25 -7.362 4.353 -10.497 258 HA ASN 25 HA ASN 25 -5.586 2.979 -12.182 259 1HB ASN 25 1HB ASN 25 -5.413 5.320 -10.866 260 2HB ASN 25 2HB ASN 25 -4.682 4.327 -9.621 261 1HD2 ASN 25 1HD2 ASN 25 -4.570 4.956 -13.116 262 2HD2 ASN 25 2HD2 ASN 25 -2.859 4.785 -13.321 263 QB ASN 25 QB ASN 25 -5.047 4.823 -10.243 264 QD ASN 25 QD2 ASN 25 -3.715 4.870 -13.218 265 H LEU 26 H LEU 26 -6.380 2.900 -8.633 266 HA LEU 26 HA LEU 26 -4.541 0.997 -7.859 267 1HB LEU 26 1HB LEU 26 -6.286 2.517 -6.582 268 2HB LEU 26 2HB LEU 26 -7.264 1.064 -6.637 269 HG LEU 26 HG LEU 26 -5.127 -0.097 -5.651 270 1HD1 LEU 26 3HD1 LEU 26 -4.427 2.753 -5.531 271 2HD1 LEU 26 1HD1 LEU 26 -4.254 1.893 -3.983 272 3HD1 LEU 26 2HD1 LEU 26 -3.397 1.305 -5.428 273 1HD2 LEU 26 2HD2 LEU 26 -7.395 1.290 -4.449 274 2HD2 LEU 26 3HD2 LEU 26 -6.708 -0.314 -4.097 275 3HD2 LEU 26 1HD2 LEU 26 -6.013 1.138 -3.338 276 MD1 LEU 26 QD1 LEU 26 -4.026 1.984 -4.981 277 MD2 LEU 26 QD2 LEU 26 -6.705 0.705 -3.961 278 QB LEU 26 QB LEU 26 -6.775 1.790 -6.609 279 QD LEU 26 QQD LEU 26 -5.366 1.344 -4.471 280 H LEU 27 H LEU 27 -8.025 0.478 -8.767 281 HA LEU 27 HA LEU 27 -8.147 -2.200 -8.605 282 1HB LEU 27 1HB LEU 27 -9.401 -0.165 -10.368 283 2HB LEU 27 2HB LEU 27 -9.590 -1.844 -10.835 284 HG LEU 27 HG LEU 27 -10.160 -1.572 -8.022 285 1HD1 LEU 27 1HD1 LEU 27 -11.116 0.630 -9.716 286 2HD1 LEU 27 2HD1 LEU 27 -12.398 -0.207 -8.808 287 3HD1 LEU 27 3HD1 LEU 27 -11.009 0.498 -7.945 288 1HD2 LEU 27 1HD2 LEU 27 -11.366 -2.687 -10.469 289 2HD2 LEU 27 2HD2 LEU 27 -11.239 -3.367 -8.830 290 3HD2 LEU 27 3HD2 LEU 27 -12.527 -2.199 -9.212 291 MD1 LEU 27 QD1 LEU 27 -11.508 0.307 -8.823 292 MD2 LEU 27 QD2 LEU 27 -11.711 -2.751 -9.504 293 QB LEU 27 QB LEU 27 -9.495 -1.004 -10.601 294 QD LEU 27 QQD LEU 27 -11.609 -1.222 -9.163 295 H GLN 28 H GLN 28 -6.910 -0.338 -11.466 296 HA GLN 28 HA GLN 28 -6.297 -2.517 -12.996 297 1HB GLN 28 1HB GLN 28 -6.171 0.123 -13.404 298 2HB GLN 28 2HB GLN 28 -4.475 -0.113 -13.026 299 1HG GLN 28 1HG GLN 28 -5.299 -2.214 -14.839 300 2HG GLN 28 2HG GLN 28 -5.842 -0.682 -15.494 301 1HE2 GLN 28 1HE2 GLN 28 -3.762 -2.496 -16.417 302 2HE2 GLN 28 2HE2 GLN 28 -2.281 -1.601 -16.489 303 QB GLN 28 QB GLN 28 -5.323 0.005 -13.215 304 QG GLN 28 QG GLN 28 -5.570 -1.448 -15.167 305 QE GLN 28 QE2 GLN 28 -3.021 -2.049 -16.453 306 H LEU 29 H LEU 29 -4.444 -0.943 -10.353 307 HA LEU 29 HA LEU 29 -2.059 -2.373 -10.799 308 1HB LEU 29 1HB LEU 29 -1.842 -0.407 -9.601 309 2HB LEU 29 2HB LEU 29 -3.217 -0.748 -8.570 310 HG LEU 29 HG LEU 29 -1.781 -2.673 -7.608 311 1HD1 LEU 29 3HD1 LEU 29 -0.075 -2.522 -9.450 312 2HD1 LEU 29 1HD1 LEU 29 0.480 -0.998 -8.719 313 3HD1 LEU 29 2HD1 LEU 29 0.587 -2.516 -7.797 314 1HD2 LEU 29 1HD2 LEU 29 -1.519 0.262 -7.105 315 2HD2 LEU 29 2HD2 LEU 29 -2.198 -1.025 -6.080 316 3HD2 LEU 29 3HD2 LEU 29 -0.433 -0.853 -6.242 317 MD1 LEU 29 QD1 LEU 29 0.331 -2.012 -8.655 318 MD2 LEU 29 QD2 LEU 29 -1.383 -0.539 -6.476 319 QB LEU 29 QB LEU 29 -2.529 -0.578 -9.085 320 QD LEU 29 QQD LEU 29 -0.526 -1.275 -7.566 321 H GLU 30 H GLU 30 -4.597 -2.779 -8.222 322 HA GLU 30 HA GLU 30 -3.630 -5.103 -7.217 323 1HB GLU 30 1HB GLU 30 -5.691 -3.545 -6.568 324 2HB GLU 30 2HB GLU 30 -6.616 -4.727 -7.472 325 1HG GLU 30 1HG GLU 30 -4.679 -5.978 -5.620 326 2HG GLU 30 2HG GLU 30 -5.837 -4.956 -4.792 327 QB GLU 30 QB GLU 30 -6.153 -4.136 -7.020 328 QG GLU 30 QG GLU 30 -5.258 -5.467 -5.206 329 H ALA 31 H ALA 31 -5.345 -4.531 -10.254 330 HA ALA 31 HA ALA 31 -6.310 -7.105 -10.713 331 1HB ALA 31 1HB ALA 31 -5.589 -5.999 -13.196 332 2HB ALA 31 2HB ALA 31 -7.163 -5.855 -12.378 333 3HB ALA 31 3HB ALA 31 -5.923 -4.597 -12.150 334 MB ALA 31 QB ALA 31 -6.225 -5.484 -12.575 335 H GLN 32 H GLN 32 -3.131 -5.546 -11.454 336 HA GLN 32 HA GLN 32 -2.027 -7.512 -12.935 337 1HB GLN 32 1HB GLN 32 -0.962 -5.454 -11.033 338 2HB GLN 32 2HB GLN 32 0.152 -6.715 -11.525 339 1HG GLN 32 1HG GLN 32 -1.494 -5.096 -13.520 340 2HG GLN 32 2HG GLN 32 0.110 -4.614 -13.004 341 1HE2 GLN 32 1HE2 GLN 32 1.396 -4.962 -14.658 342 2HE2 GLN 32 2HE2 GLN 32 1.567 -6.437 -15.549 343 QB GLN 32 QB GLN 32 -0.405 -6.085 -11.279 344 QG GLN 32 QG GLN 32 -0.692 -4.855 -13.262 345 QE GLN 32 QE2 GLN 32 1.482 -5.700 -15.104 346 H GLU 33 H GLU 33 -2.325 -9.679 -12.460 347 HA GLU 33 HA GLU 33 -2.616 -10.814 -10.060 348 1HB GLU 33 1HB GLU 33 -2.205 -12.885 -11.115 349 2HB GLU 33 2HB GLU 33 -2.685 -11.846 -12.441 350 1HG GLU 33 1HG GLU 33 -0.239 -11.396 -12.917 351 2HG GLU 33 2HG GLU 33 0.186 -12.536 -11.657 352 QB GLU 33 QB GLU 33 -2.445 -12.366 -11.778 353 QG GLU 33 QG GLU 33 -0.027 -11.966 -12.287 354 H HIS 34 H HIS 34 0.348 -9.501 -11.441 355 HA HIS 34 HA HIS 34 2.114 -10.932 -9.752 356 1HB HIS 34 1HB HIS 34 2.801 -8.278 -10.969 357 2HB HIS 34 2HB HIS 34 3.808 -9.694 -10.742 358 HD1 HIS 34 HD1 HIS 34 3.180 -11.815 -12.380 359 HD2 HIS 34 HD2 HIS 34 1.711 -8.044 -13.480 360 HE1 HIS 34 HE1 HIS 34 2.541 -11.988 -14.844 361 HE2 HIS 34 HE2 HIS 34 1.595 -9.657 -15.449 362 QB HIS 34 QB HIS 34 3.305 -8.986 -10.856 363 H LEU 35 H LEU 35 0.515 -7.698 -9.658 364 HA LEU 35 HA LEU 35 1.607 -7.341 -6.967 365 1HB LEU 35 1HB LEU 35 0.706 -5.518 -9.137 366 2HB LEU 35 2HB LEU 35 0.444 -4.995 -7.485 367 HG LEU 35 HG LEU 35 3.097 -5.700 -8.765 368 1HD1 LEU 35 1HD1 LEU 35 1.794 -3.422 -9.134 369 2HD1 LEU 35 2HD1 LEU 35 2.498 -3.043 -7.544 370 3HD1 LEU 35 3HD1 LEU 35 3.558 -3.470 -8.909 371 1HD2 LEU 35 2HD2 LEU 35 2.330 -5.755 -5.987 372 2HD2 LEU 35 3HD2 LEU 35 3.889 -6.157 -6.745 373 3HD2 LEU 35 1HD2 LEU 35 3.538 -4.479 -6.271 374 MD1 LEU 35 QD1 LEU 35 2.617 -3.312 -8.529 375 MD2 LEU 35 QD2 LEU 35 3.253 -5.464 -6.334 376 QB LEU 35 QB LEU 35 0.575 -5.257 -8.311 377 QD LEU 35 QQD LEU 35 2.935 -4.388 -7.432 378 H GLN 36 H GLN 36 -0.202 -9.366 -7.007 379 HA GLN 36 HA GLN 36 -2.848 -8.495 -6.783 380 1HB GLN 36 1HB GLN 36 -1.319 -11.005 -6.210 381 2HB GLN 36 2HB GLN 36 -2.854 -10.832 -5.383 382 1HG GLN 36 1HG GLN 36 -3.328 -10.004 -8.073 383 2HG GLN 36 2HG GLN 36 -2.344 -11.450 -8.188 384 1HE2 GLN 36 1HE2 GLN 36 -3.019 -13.360 -7.041 385 2HE2 GLN 36 2HE2 GLN 36 -4.701 -13.682 -6.778 386 QB GLN 36 QB GLN 36 -2.086 -10.918 -5.797 387 QG GLN 36 QG GLN 36 -2.836 -10.727 -8.131 388 QE GLN 36 QE2 GLN 36 -3.860 -13.521 -6.909 389 H LEU 37 H LEU 37 -2.127 -6.526 -5.374 390 HA LEU 37 HA LEU 37 -1.461 -7.037 -2.670 391 1HB LEU 37 1HB LEU 37 -2.748 -4.497 -3.565 392 2HB LEU 37 2HB LEU 37 -1.458 -4.754 -2.407 393 HG LEU 37 HG LEU 37 -0.454 -5.618 -4.913 394 1HD1 LEU 37 3HD1 LEU 37 -2.526 -3.903 -5.472 395 2HD1 LEU 37 1HD1 LEU 37 -1.121 -2.809 -5.431 396 3HD1 LEU 37 2HD1 LEU 37 -1.122 -4.217 -6.521 397 1HD2 LEU 37 3HD2 LEU 37 0.460 -4.265 -2.757 398 2HD2 LEU 37 1HD2 LEU 37 1.317 -4.358 -4.315 399 3HD2 LEU 37 2HD2 LEU 37 0.318 -2.934 -3.932 400 MD1 LEU 37 QD1 LEU 37 -1.590 -3.643 -5.808 401 MD2 LEU 37 QD2 LEU 37 0.698 -3.853 -3.668 402 QB LEU 37 QB LEU 37 -2.103 -4.626 -2.986 403 QD LEU 37 QQD LEU 37 -0.446 -3.748 -4.738 404 H ASP 38 H ASP 38 -2.808 -6.698 -0.775 405 HA ASP 38 HA ASP 38 -5.557 -7.426 -1.378 406 1HB ASP 38 1HB ASP 38 -3.642 -8.012 0.860 407 2HB ASP 38 2HB ASP 38 -5.329 -7.846 1.307 408 QB ASP 38 QB ASP 38 -4.486 -7.929 1.083 409 H PHE 39 H PHE 39 -7.025 -5.736 -1.128 410 HA PHE 39 HA PHE 39 -6.197 -3.423 0.404 411 1HB PHE 39 1HB PHE 39 -8.652 -4.138 -1.309 412 2HB PHE 39 2HB PHE 39 -8.376 -2.544 -0.635 413 HD1 PHE 39 HD1 PHE 39 -8.649 -3.530 -3.602 414 HD2 PHE 39 HD2 PHE 39 -5.349 -2.493 -1.145 415 HE1 PHE 39 HE1 PHE 39 -7.330 -2.896 -5.641 416 HE2 PHE 39 HE2 PHE 39 -4.030 -1.859 -3.184 417 HZ PHE 39 HZ PHE 39 -5.036 -2.069 -5.408 418 QB PHE 39 QB PHE 39 -8.514 -3.341 -0.972 419 QD PHE 39 QD PHE 39 -6.999 -3.011 -2.373 420 QE PHE 39 QE PHE 39 -5.680 -2.378 -4.413 421 QR PHE 39 QR PHE 39 -6.079 -2.570 -3.796 422 H TRP 40 H TRP 40 -6.902 -2.953 2.441 423 HA TRP 40 HA TRP 40 -8.530 -4.846 3.796 424 1HB TRP 40 1HB TRP 40 -7.276 -2.213 4.537 425 2HB TRP 40 2HB TRP 40 -8.375 -3.038 5.625 426 HD1 TRP 40 HD1 TRP 40 -6.524 -5.726 3.943 427 HE1 TRP 40 HE1 TRP 40 -4.485 -6.659 5.335 428 HE3 TRP 40 HE3 TRP 40 -6.358 -1.882 7.267 429 HZ2 TRP 40 HZ2 TRP 40 -3.063 -5.705 7.618 430 HZ3 TRP 40 HZ3 TRP 40 -4.614 -1.961 9.047 431 HH2 TRP 40 HH2 TRP 40 -3.004 -3.786 9.253 432 QB TRP 40 QB TRP 40 -7.826 -2.626 5.081 433 H LYS 41 H LYS 41 -8.928 -1.510 2.465 434 HA LYS 41 HA LYS 41 -11.819 -1.843 2.868 435 1HB LYS 41 1HB LYS 41 -10.003 0.467 3.370 436 2HB LYS 41 2HB LYS 41 -11.578 0.827 2.695 437 1HG LYS 41 1HG LYS 41 -12.200 -1.035 4.677 438 2HG LYS 41 2HG LYS 41 -10.870 -0.154 5.401 439 1HD LYS 41 1HD LYS 41 -12.073 1.809 5.568 440 2HD LYS 41 2HD LYS 41 -12.902 1.558 4.045 441 1HE LYS 41 1HE LYS 41 -14.617 0.306 5.011 442 2HE LYS 41 2HE LYS 41 -13.589 -0.334 6.279 443 1HZ LYS 41 2HZ LYS 41 -13.828 2.465 6.487 444 2HZ LYS 41 3HZ LYS 41 -15.303 1.763 6.492 445 3HZ LYS 41 1HZ LYS 41 -14.181 1.315 7.592 446 QB LYS 41 QB LYS 41 -10.790 0.647 3.033 447 QD LYS 41 QD LYS 41 -12.488 1.683 4.807 448 QG LYS 41 QG LYS 41 -11.535 -0.594 5.039 449 QE LYS 41 QE LYS 41 -14.103 -0.014 5.645 450 QZ LYS 41 QZ LYS 41 -14.437 1.848 6.857 451 H SER 42 H SER 42 -12.670 -2.470 0.951 452 HA SER 42 HA SER 42 -11.556 -2.356 -1.454 453 1HB SER 42 1HB SER 42 -13.908 -2.315 -2.391 454 2HB SER 42 2HB SER 42 -13.652 -3.500 -1.126 455 HG SER 42 HG SER 42 -14.410 -1.362 0.212 456 QB SER 42 QB SER 42 -13.780 -2.908 -1.758 457 HA PRO 43 HA PRO 43 -11.377 2.057 -1.971 458 1HB PRO 43 1HB PRO 43 -9.326 2.078 -3.777 459 2HB PRO 43 2HB PRO 43 -9.077 2.126 -2.043 460 1HG PRO 43 1HG PRO 43 -8.690 -0.133 -3.909 461 2HG PRO 43 2HG PRO 43 -8.058 0.071 -2.288 462 1HD PRO 43 1HD PRO 43 -10.256 -1.595 -3.076 463 2HD PRO 43 2HD PRO 43 -9.698 -1.300 -1.441 464 QB PRO 43 QB PRO 43 -9.201 2.102 -2.910 465 QG PRO 43 QG PRO 43 -8.374 -0.031 -3.098 466 QD PRO 43 QD PRO 43 -9.977 -1.448 -2.258 467 H THR 44 H THR 44 -12.461 -0.372 -3.875 468 HA THR 44 HA THR 44 -12.643 0.509 -6.401 469 HB THR 44 HB THR 44 -14.509 -0.923 -4.506 470 HG1 THR 44 HG1 THR 44 -13.756 -2.568 -5.875 471 1HG2 THR 44 2HG2 THR 44 -16.026 0.415 -6.044 472 2HG2 THR 44 3HG2 THR 44 -15.167 -0.295 -7.431 473 3HG2 THR 44 1HG2 THR 44 -16.105 -1.340 -6.337 474 MG THR 44 QG2 THR 44 -15.766 -0.407 -6.604 475 H THR 45 H THR 45 -14.200 1.996 -3.572 476 HA THR 45 HA THR 45 -15.191 4.088 -5.396 477 HB THR 45 HB THR 45 -17.199 4.214 -4.088 478 HG1 THR 45 HG1 THR 45 -15.744 2.413 -2.282 479 1HG2 THR 45 3HG2 THR 45 -17.105 2.041 -5.405 480 2HG2 THR 45 1HG2 THR 45 -16.428 1.252 -3.961 481 3HG2 THR 45 2HG2 THR 45 -18.077 1.920 -3.919 482 MG THR 45 QG2 THR 45 -17.204 1.738 -4.429 483 HA PRO 46 HA PRO 46 -12.942 6.850 -3.007 484 1HB PRO 46 1HB PRO 46 -14.321 9.179 -3.383 485 2HB PRO 46 2HB PRO 46 -13.203 8.526 -4.564 486 1HG PRO 46 1HG PRO 46 -16.158 8.535 -4.618 487 2HG PRO 46 2HG PRO 46 -15.037 8.286 -5.941 488 1HD PRO 46 1HD PRO 46 -16.552 6.271 -4.572 489 2HD PRO 46 2HD PRO 46 -15.345 6.010 -5.816 490 QB PRO 46 QB PRO 46 -13.762 8.853 -3.973 491 QG PRO 46 QG PRO 46 -15.597 8.410 -5.279 492 QD PRO 46 QD PRO 46 -15.948 6.141 -5.194 493 H GLY 47 H GLY 47 -13.513 9.035 -1.485 494 1HA GLY 47 2HA GLY 47 -15.639 8.893 0.229 495 2HA GLY 47 1HA GLY 47 -14.047 9.490 0.653 496 QA GLY 47 QA GLY 47 -14.843 9.192 0.441 497 H GLU 48 H GLU 48 -12.915 6.670 -0.063 498 HA GLU 48 HA GLU 48 -13.511 5.583 2.556 499 1HB GLU 48 1HB GLU 48 -13.750 4.100 -0.085 500 2HB GLU 48 2HB GLU 48 -13.465 3.243 1.417 501 1HG GLU 48 1HG GLU 48 -15.546 4.914 2.149 502 2HG GLU 48 2HG GLU 48 -15.926 4.627 0.462 503 QB GLU 48 QB GLU 48 -13.607 3.672 0.666 504 QG GLU 48 QG GLU 48 -15.736 4.770 1.306 505 H THR 49 H THR 49 -11.568 5.544 3.596 506 HA THR 49 HA THR 49 -9.120 5.633 2.162 507 HB THR 49 HB THR 49 -8.279 5.281 4.626 508 HG1 THR 49 HG1 THR 49 -10.034 4.526 5.767 509 1HG2 THR 49 3HG2 THR 49 -9.781 7.555 3.443 510 2HG2 THR 49 1HG2 THR 49 -9.830 7.522 5.221 511 3HG2 THR 49 2HG2 THR 49 -8.265 7.569 4.375 512 MG THR 49 QG2 THR 49 -9.292 7.549 4.346 513 H ALA 50 H ALA 50 -7.529 4.096 1.823 514 HA ALA 50 HA ALA 50 -8.459 1.340 2.252 515 1HB ALA 50 1HB ALA 50 -7.014 0.811 0.277 516 2HB ALA 50 3HB ALA 50 -6.684 2.550 0.094 517 3HB ALA 50 2HB ALA 50 -8.341 1.932 -0.109 518 MB ALA 50 QB ALA 50 -7.347 1.765 0.087 519 H HIS 51 H HIS 51 -6.799 -0.259 2.809 520 HA HIS 51 HA HIS 51 -4.262 0.809 3.665 521 1HB HIS 51 1HB HIS 51 -5.731 -0.731 5.759 522 2HB HIS 51 2HB HIS 51 -4.451 0.454 5.927 523 HD1 HIS 51 HD1 HIS 51 -7.996 0.078 6.427 524 HD2 HIS 51 HD2 HIS 51 -5.493 3.223 5.226 525 HE1 HIS 51 HE1 HIS 51 -9.323 2.227 6.793 526 HE2 HIS 51 HE2 HIS 51 -7.713 4.127 6.089 527 QB HIS 51 QB HIS 51 -5.091 -0.138 5.843 528 H VAL 52 H VAL 52 -3.213 -0.543 2.201 529 HA VAL 52 HA VAL 52 -3.728 -3.413 2.572 530 HB VAL 52 HB VAL 52 -4.229 -3.104 0.382 531 1HG1 VAL 52 2HG1 VAL 52 -2.184 -0.861 0.289 532 2HG1 VAL 52 3HG1 VAL 52 -3.125 -1.428 -1.112 533 3HG1 VAL 52 1HG1 VAL 52 -3.958 -0.708 0.287 534 1HG2 VAL 52 3HG2 VAL 52 -2.018 -4.482 0.747 535 2HG2 VAL 52 1HG2 VAL 52 -2.577 -4.095 -0.898 536 3HG2 VAL 52 2HG2 VAL 52 -1.272 -3.140 -0.154 537 MG1 VAL 52 QG1 VAL 52 -3.089 -0.999 -0.179 538 MG2 VAL 52 QG2 VAL 52 -1.956 -3.905 -0.102 539 QG VAL 52 QQG VAL 52 -2.523 -2.452 -0.140 540 H ARG 53 H ARG 53 -1.912 -4.829 2.773 541 HA ARG 53 HA ARG 53 0.325 -3.468 3.938 542 1HB ARG 53 1HB ARG 53 1.046 -5.853 4.517 543 2HB ARG 53 2HB ARG 53 -0.502 -5.373 5.183 544 1HG ARG 53 1HG ARG 53 -1.661 -6.898 3.928 545 2HG ARG 53 2HG ARG 53 -0.736 -6.554 2.479 546 1HD ARG 53 1HD ARG 53 1.098 -7.832 4.239 547 2HD ARG 53 2HD ARG 53 -0.398 -8.732 4.405 548 HE ARG 53 HE ARG 53 0.223 -8.180 1.614 549 1HH1 ARG 53 2HH1 ARG 53 0.854 -9.920 0.273 550 2HH1 ARG 53 1HH1 ARG 53 1.370 -11.415 0.980 551 1HH2 ARG 53 2HH2 ARG 53 0.942 -10.332 4.304 552 2HH2 ARG 53 1HH2 ARG 53 1.421 -11.650 3.288 553 QB ARG 53 QB ARG 53 0.272 -5.613 4.850 554 QG ARG 53 QG ARG 53 -1.198 -6.726 3.203 555 QD ARG 53 QD ARG 53 0.350 -8.282 4.322 556 QH1 ARG 53 QH1 ARG 53 1.112 -10.667 0.626 557 QH2 ARG 53 QH2 ARG 53 1.181 -10.991 3.796 558 H VAL 54 H VAL 54 1.385 -2.561 2.061 559 HA VAL 54 HA VAL 54 2.151 -4.383 -0.052 560 HB VAL 54 HB VAL 54 1.399 -2.263 -0.757 561 1HG1 VAL 54 1HG1 VAL 54 3.100 -1.225 1.481 562 2HG1 VAL 54 2HG1 VAL 54 2.827 -0.187 0.061 563 3HG1 VAL 54 3HG1 VAL 54 1.442 -0.785 1.005 564 1HG2 VAL 54 3HG2 VAL 54 4.370 -2.673 -0.938 565 2HG2 VAL 54 1HG2 VAL 54 3.123 -2.799 -2.202 566 3HG2 VAL 54 2HG2 VAL 54 3.643 -1.199 -1.624 567 MG1 VAL 54 QG1 VAL 54 2.456 -0.732 0.849 568 MG2 VAL 54 QG2 VAL 54 3.712 -2.224 -1.588 569 QG VAL 54 QQG VAL 54 3.084 -1.478 -0.370 570 HA PRO 55 HA PRO 55 6.046 -5.175 1.657 571 1HB PRO 55 1HB PRO 55 7.351 -6.138 -0.543 572 2HB PRO 55 2HB PRO 55 6.263 -7.110 0.429 573 1HG PRO 55 1HG PRO 55 5.804 -5.918 -2.237 574 2HG PRO 55 2HG PRO 55 4.927 -7.214 -1.449 575 1HD PRO 55 1HD PRO 55 4.077 -4.489 -1.728 576 2HD PRO 55 2HD PRO 55 3.255 -5.758 -0.841 577 QB PRO 55 QB PRO 55 6.807 -6.624 -0.057 578 QG PRO 55 QG PRO 55 5.366 -6.566 -1.843 579 QD PRO 55 QD PRO 55 3.666 -5.123 -1.285 580 H PHE 56 H PHE 56 7.831 -4.084 2.270 581 HA PHE 56 HA PHE 56 8.192 -1.537 1.407 582 1HB PHE 56 1HB PHE 56 9.243 -3.086 3.326 583 2HB PHE 56 2HB PHE 56 10.506 -3.394 2.150 584 HD1 PHE 56 HD1 PHE 56 9.404 -1.237 4.723 585 HD2 PHE 56 HD2 PHE 56 11.664 -1.295 1.133 586 HE1 PHE 56 HE1 PHE 56 10.572 0.872 5.424 587 HE2 PHE 56 HE2 PHE 56 12.833 0.813 1.834 588 HZ PHE 56 HZ PHE 56 12.272 1.870 3.971 589 QB PHE 56 QB PHE 56 9.875 -3.240 2.738 590 QD PHE 56 QD PHE 56 10.534 -1.266 2.928 591 QE PHE 56 QE PHE 56 11.703 0.842 3.629 592 QR PHE 56 QR PHE 56 11.349 0.205 3.417 593 H VAL 57 H VAL 57 9.596 -4.560 0.052 594 HA VAL 57 HA VAL 57 11.399 -3.262 -1.675 595 HB VAL 57 HB VAL 57 11.817 -5.498 -1.128 596 1HG1 VAL 57 3HG1 VAL 57 8.915 -5.933 -1.769 597 2HG1 VAL 57 1HG1 VAL 57 10.056 -7.293 -1.905 598 3HG1 VAL 57 2HG1 VAL 57 9.860 -6.448 -0.350 599 1HG2 VAL 57 3HG2 VAL 57 12.337 -4.979 -3.459 600 2HG2 VAL 57 1HG2 VAL 57 11.835 -6.679 -3.295 601 3HG2 VAL 57 2HG2 VAL 57 10.701 -5.474 -3.953 602 MG1 VAL 57 QG1 VAL 57 9.610 -6.558 -1.342 603 MG2 VAL 57 QG2 VAL 57 11.624 -5.711 -3.569 604 QG VAL 57 QQG VAL 57 10.617 -6.134 -2.455 605 H ASN 58 H ASN 58 7.936 -3.683 -1.685 606 HA ASN 58 HA ASN 58 7.926 -2.881 -4.488 607 1HB ASN 58 1HB ASN 58 6.773 -5.113 -3.744 608 2HB ASN 58 2HB ASN 58 5.565 -4.096 -2.983 609 1HD2 ASN 58 1HD2 ASN 58 6.404 -5.719 -5.730 610 2HD2 ASN 58 2HD2 ASN 58 5.400 -4.933 -6.902 611 QB ASN 58 QB ASN 58 6.169 -4.605 -3.364 612 QD ASN 58 QD2 ASN 58 5.902 -5.326 -6.316 613 H VAL 59 H VAL 59 8.013 -1.485 -1.614 614 HA VAL 59 HA VAL 59 5.526 -0.075 -1.515 615 HB VAL 59 HB VAL 59 8.072 -0.189 0.011 616 1HG1 VAL 59 1HG1 VAL 59 6.405 2.281 -0.271 617 2HG1 VAL 59 2HG1 VAL 59 7.023 1.859 1.344 618 3HG1 VAL 59 3HG1 VAL 59 8.156 2.105 -0.007 619 1HG2 VAL 59 1HG2 VAL 59 6.049 -1.532 0.583 620 2HG2 VAL 59 2HG2 VAL 59 6.585 -0.458 1.898 621 3HG2 VAL 59 3HG2 VAL 59 5.176 -0.014 0.905 622 MG1 VAL 59 QG1 VAL 59 7.195 2.082 0.355 623 MG2 VAL 59 QG2 VAL 59 5.937 -0.668 1.129 624 QG VAL 59 QQG VAL 59 6.566 0.707 0.742 625 H GLN 60 H GLN 60 8.746 0.355 -2.957 626 HA GLN 60 HA GLN 60 8.473 3.110 -3.384 627 1HB GLN 60 1HB GLN 60 10.588 1.533 -3.454 628 2HB GLN 60 2HB GLN 60 10.157 1.304 -5.137 629 1HG GLN 60 1HG GLN 60 10.451 3.615 -5.660 630 2HG GLN 60 2HG GLN 60 10.351 4.105 -3.980 631 1HE2 GLN 60 1HE2 GLN 60 12.377 5.052 -5.410 632 2HE2 GLN 60 2HE2 GLN 60 13.890 4.326 -4.983 633 QB GLN 60 QB GLN 60 10.372 1.419 -4.295 634 QG GLN 60 QG GLN 60 10.401 3.860 -4.820 635 QE GLN 60 QE2 GLN 60 13.134 4.689 -5.197 636 H ALA 61 H ALA 61 8.391 0.363 -5.779 637 HA ALA 61 HA ALA 61 7.519 1.714 -7.947 638 1HB ALA 61 1HB ALA 61 6.162 -0.618 -8.236 639 2HB ALA 61 3HB ALA 61 7.250 -1.064 -6.899 640 3HB ALA 61 2HB ALA 61 7.925 -0.482 -8.440 641 MB ALA 61 QB ALA 61 7.112 -0.722 -7.858 642 H VAL 62 H VAL 62 5.611 0.668 -5.093 643 HA VAL 62 HA VAL 62 3.118 1.390 -6.261 644 HB VAL 62 HB VAL 62 3.981 0.850 -3.414 645 1HG1 VAL 62 2HG1 VAL 62 1.385 1.690 -4.569 646 2HG1 VAL 62 3HG1 VAL 62 1.318 0.304 -3.454 647 3HG1 VAL 62 1HG1 VAL 62 2.014 1.850 -2.911 648 1HG2 VAL 62 3HG2 VAL 62 4.074 -0.960 -5.327 649 2HG2 VAL 62 1HG2 VAL 62 3.416 -1.367 -3.724 650 3HG2 VAL 62 2HG2 VAL 62 2.313 -1.011 -5.077 651 MG1 VAL 62 QG1 VAL 62 1.573 1.281 -3.645 652 MG2 VAL 62 QG2 VAL 62 3.267 -1.113 -4.709 653 QG VAL 62 QQG VAL 62 2.420 0.084 -4.177 654 H LYS 63 H LYS 63 5.529 2.952 -4.090 655 HA LYS 63 HA LYS 63 3.985 5.187 -3.462 656 1HB LYS 63 1HB LYS 63 5.785 4.998 -2.076 657 2HB LYS 63 2HB LYS 63 6.856 4.421 -3.338 658 1HG LYS 63 1HG LYS 63 7.219 6.625 -4.206 659 2HG LYS 63 2HG LYS 63 5.824 7.281 -3.371 660 1HD LYS 63 1HD LYS 63 8.161 6.102 -1.821 661 2HD LYS 63 2HD LYS 63 8.198 7.762 -2.382 662 1HE LYS 63 1HE LYS 63 5.675 7.614 -1.218 663 2HE LYS 63 2HE LYS 63 6.606 6.547 -0.187 664 1HZ LYS 63 2HZ LYS 63 8.251 8.355 -0.014 665 2HZ LYS 63 3HZ LYS 63 7.235 9.342 -0.829 666 3HZ LYS 63 1HZ LYS 63 6.798 8.739 0.624 667 QB LYS 63 QB LYS 63 6.320 4.710 -2.707 668 QD LYS 63 QD LYS 63 8.179 6.932 -2.102 669 QG LYS 63 QG LYS 63 6.521 6.953 -3.788 670 QE LYS 63 QE LYS 63 6.141 7.081 -0.703 671 QZ LYS 63 QZ LYS 63 7.428 8.812 -0.073 672 H VAL 64 H VAL 64 5.929 4.318 -6.320 673 HA VAL 64 HA VAL 64 5.852 6.965 -7.395 674 HB VAL 64 HB VAL 64 6.706 4.251 -8.363 675 1HG1 VAL 64 1HG1 VAL 64 5.932 6.556 -10.009 676 2HG1 VAL 64 2HG1 VAL 64 7.595 5.997 -10.311 677 3HG1 VAL 64 3HG1 VAL 64 6.232 4.863 -10.471 678 1HG2 VAL 64 1HG2 VAL 64 8.002 6.099 -6.850 679 2HG2 VAL 64 2HG2 VAL 64 8.818 4.944 -7.932 680 3HG2 VAL 64 3HG2 VAL 64 8.500 6.607 -8.481 681 MG1 VAL 64 QG1 VAL 64 6.586 5.805 -10.264 682 MG2 VAL 64 QG2 VAL 64 8.440 5.883 -7.754 683 QG VAL 64 QQG VAL 64 7.513 5.844 -9.009 684 H PHE 65 H PHE 65 3.880 4.000 -7.543 685 HA PHE 65 HA PHE 65 2.401 4.693 -9.815 686 1HB PHE 65 1HB PHE 65 2.622 2.458 -8.494 687 2HB PHE 65 2HB PHE 65 1.541 3.148 -7.299 688 HD1 PHE 65 HD1 PHE 65 1.653 2.670 -11.007 689 HD2 PHE 65 HD2 PHE 65 -0.679 2.574 -7.463 690 HE1 PHE 65 HE1 PHE 65 -0.323 1.864 -12.329 691 HE2 PHE 65 HE2 PHE 65 -2.655 1.768 -8.785 692 HZ PHE 65 HZ PHE 65 -2.453 1.421 -11.201 693 QB PHE 65 QB PHE 65 2.081 2.803 -7.896 694 QD PHE 65 QD PHE 65 0.487 2.622 -9.235 695 QE PHE 65 QE PHE 65 -1.489 1.816 -10.557 696 QR PHE 65 QR PHE 65 -0.892 2.059 -10.157 697 H LEU 66 H LEU 66 1.615 5.025 -6.277 698 HA LEU 66 HA LEU 66 -0.823 6.204 -6.516 699 1HB LEU 66 1HB LEU 66 1.392 6.536 -4.510 700 2HB LEU 66 2HB LEU 66 -0.133 7.383 -4.337 701 HG LEU 66 HG LEU 66 -0.457 4.502 -4.821 702 1HD1 LEU 66 2HD1 LEU 66 1.726 4.754 -3.437 703 2HD1 LEU 66 3HD1 LEU 66 0.631 5.208 -2.110 704 3HD1 LEU 66 1HD1 LEU 66 0.470 3.618 -2.891 705 1HD2 LEU 66 3HD2 LEU 66 -1.527 6.522 -2.845 706 2HD2 LEU 66 1HD2 LEU 66 -2.368 5.741 -4.205 707 3HD2 LEU 66 2HD2 LEU 66 -1.925 4.789 -2.767 708 MD1 LEU 66 QD1 LEU 66 0.942 4.527 -2.813 709 MD2 LEU 66 QD2 LEU 66 -1.940 5.684 -3.273 710 QB LEU 66 QB LEU 66 0.630 6.960 -4.423 711 QD LEU 66 QQD LEU 66 -0.499 5.105 -3.043 712 H GLU 67 H GLU 67 2.378 7.920 -6.356 713 HA GLU 67 HA GLU 67 1.353 10.432 -6.712 714 1HB GLU 67 1HB GLU 67 4.012 9.118 -7.120 715 2HB GLU 67 2HB GLU 67 3.795 10.675 -7.895 716 1HG GLU 67 1HG GLU 67 2.792 10.601 -5.102 717 2HG GLU 67 2HG GLU 67 4.512 10.288 -5.232 718 QB GLU 67 QB GLU 67 3.904 9.897 -7.508 719 QG GLU 67 QG GLU 67 3.652 10.445 -5.167 720 H SER 68 H SER 68 2.434 7.999 -9.161 721 HA SER 68 HA SER 68 2.226 9.572 -11.375 722 1HB SER 68 1HB SER 68 2.408 7.594 -12.589 723 2HB SER 68 2HB SER 68 2.986 7.063 -11.023 724 HG SER 68 HG SER 68 1.465 5.540 -11.716 725 QB SER 68 QB SER 68 2.697 7.328 -11.806 726 H GLN 69 H GLN 69 -0.309 7.707 -9.608 727 HA GLN 69 HA GLN 69 -2.292 8.476 -11.514 728 1HB GLN 69 1HB GLN 69 -3.846 7.245 -9.996 729 2HB GLN 69 2HB GLN 69 -2.457 6.282 -10.454 730 1HG GLN 69 1HG GLN 69 -1.354 6.729 -8.309 731 2HG GLN 69 2HG GLN 69 -2.592 7.886 -7.861 732 1HE2 GLN 69 1HE2 GLN 69 -1.546 4.751 -7.590 733 2HE2 GLN 69 2HE2 GLN 69 -2.990 3.973 -7.032 734 QB GLN 69 QB GLN 69 -3.151 6.764 -10.225 735 QG GLN 69 QG GLN 69 -1.973 7.307 -8.085 736 QE GLN 69 QE2 GLN 69 -2.268 4.362 -7.311 737 H GLY 70 H GLY 70 -0.658 10.394 -9.591 738 1HA GLY 70 2HA GLY 70 -2.393 12.476 -9.432 739 2HA GLY 70 1HA GLY 70 -1.041 12.233 -8.343 740 QA GLY 70 QA GLY 70 -1.717 12.354 -8.887 741 H ILE 71 H ILE 71 -1.696 10.083 -6.776 742 HA ILE 71 HA ILE 71 -4.322 10.795 -5.669 743 HB ILE 71 HB ILE 71 -3.990 8.475 -6.559 744 1HG1 ILE 71 1HG1 ILE 71 -4.525 8.300 -3.614 745 2HG1 ILE 71 2HG1 ILE 71 -5.551 9.325 -4.599 746 1HG2 ILE 71 1HG2 ILE 71 -1.562 8.506 -5.433 747 2HG2 ILE 71 2HG2 ILE 71 -2.471 7.732 -4.113 748 3HG2 ILE 71 3HG2 ILE 71 -2.471 7.005 -5.738 749 1HD1 ILE 71 1HD1 ILE 71 -5.554 7.145 -6.196 750 2HD1 ILE 71 2HD1 ILE 71 -5.242 6.341 -4.638 751 3HD1 ILE 71 3HD1 ILE 71 -6.703 7.335 -4.850 752 MG ILE 71 QG2 ILE 71 -2.168 7.748 -5.095 753 MD ILE 71 QD1 ILE 71 -5.833 6.940 -5.228 754 QG ILE 71 QG1 ILE 71 -5.038 8.812 -4.107 755 H ALA 72 H ALA 72 -4.308 10.173 -3.141 756 HA ALA 72 HA ALA 72 -1.832 11.296 -2.024 757 1HB ALA 72 3HB ALA 72 -3.775 12.935 -2.185 758 2HB ALA 72 1HB ALA 72 -4.644 11.890 -1.035 759 3HB ALA 72 2HB ALA 72 -3.123 12.678 -0.549 760 MB ALA 72 QB ALA 72 -3.847 12.501 -1.256 761 H TYR 73 H TYR 73 -0.888 9.897 -0.634 762 HA TYR 73 HA TYR 73 -2.663 8.111 0.876 763 1HB TYR 73 1HB TYR 73 -0.633 6.464 0.486 764 2HB TYR 73 2HB TYR 73 -1.714 6.723 -0.869 765 HD1 TYR 73 HD1 TYR 73 1.656 6.641 0.122 766 HD2 TYR 73 HD2 TYR 73 -1.018 8.754 -2.465 767 HE1 TYR 73 HE1 TYR 73 3.619 7.385 -1.314 768 HE2 TYR 73 HE2 TYR 73 0.954 9.491 -3.891 769 HH TYR 73 HH TYR 73 4.264 8.743 -2.912 770 QB TYR 73 QB TYR 73 -1.174 6.594 -0.192 771 QD TYR 73 QD TYR 73 0.319 7.698 -1.172 772 QE TYR 73 QE TYR 73 2.286 8.438 -2.602 773 QR TYR 73 QR TYR 73 1.303 8.068 -1.887 774 H SER 74 H SER 74 -0.739 6.773 2.371 775 HA SER 74 HA SER 74 1.222 8.499 3.363 776 1HB SER 74 1HB SER 74 -1.463 8.532 4.689 777 2HB SER 74 2HB SER 74 -0.076 8.439 5.756 778 HG SER 74 HG SER 74 0.795 10.340 4.553 779 QB SER 74 QB SER 74 -0.769 8.486 5.223 780 H ILE 75 H ILE 75 2.169 7.513 5.513 781 HA ILE 75 HA ILE 75 1.985 4.610 5.221 782 HB ILE 75 HB ILE 75 4.091 6.376 6.473 783 1HG1 ILE 75 1HG1 ILE 75 4.671 4.655 4.122 784 2HG1 ILE 75 2HG1 ILE 75 3.641 6.040 3.822 785 1HG2 ILE 75 1HG2 ILE 75 3.564 3.513 6.716 786 2HG2 ILE 75 2HG2 ILE 75 5.193 3.870 6.092 787 3HG2 ILE 75 3HG2 ILE 75 4.661 4.565 7.642 788 1HD1 ILE 75 3HD1 ILE 75 5.362 7.491 5.014 789 2HD1 ILE 75 1HD1 ILE 75 6.426 6.066 5.063 790 3HD1 ILE 75 2HD1 ILE 75 5.934 6.755 3.497 791 MG ILE 75 QG2 ILE 75 4.473 3.983 6.817 792 MD ILE 75 QD1 ILE 75 5.907 6.770 4.525 793 QG ILE 75 QG1 ILE 75 4.156 5.347 3.972 794 H MET 76 H MET 76 0.913 3.420 6.703 795 HA MET 76 HA MET 76 -0.136 4.791 8.977 796 1HB MET 76 1HB MET 76 -1.162 2.878 7.381 797 2HB MET 76 2HB MET 76 -0.372 1.797 8.512 798 1HG MET 76 1HG MET 76 -2.453 3.928 9.203 799 2HG MET 76 2HG MET 76 -2.699 2.193 9.225 800 1HE MET 76 3HE MET 76 -2.274 0.743 10.706 801 2HE MET 76 1HE MET 76 -1.332 0.826 12.214 802 3HE MET 76 2HE MET 76 -2.964 1.531 12.146 803 QB MET 76 QB MET 76 -0.767 2.338 7.947 804 QG MET 76 QG MET 76 -2.576 3.060 9.214 805 ME MET 76 QE MET 76 -2.190 1.033 11.689 806 H ILE 77 H ILE 77 1.558 1.585 8.631 807 HA ILE 77 HA ILE 77 2.865 2.183 11.193 808 HB ILE 77 HB ILE 77 1.274 0.418 11.460 809 1HG1 ILE 77 1HG1 ILE 77 2.773 -1.422 12.191 810 2HG1 ILE 77 2HG1 ILE 77 4.106 -0.663 11.344 811 1HG2 ILE 77 1HG2 ILE 77 2.150 -0.351 8.810 812 2HG2 ILE 77 2HG2 ILE 77 2.210 -1.733 9.931 813 3HG2 ILE 77 3HG2 ILE 77 0.693 -0.827 9.715 814 1HD1 ILE 77 1HD1 ILE 77 2.807 1.330 13.001 815 2HD1 ILE 77 2HD1 ILE 77 3.179 -0.106 13.984 816 3HD1 ILE 77 3HD1 ILE 77 4.478 0.723 13.092 817 MG ILE 77 QG2 ILE 77 1.684 -0.970 9.485 818 MD ILE 77 QD1 ILE 77 3.488 0.649 13.359 819 QG ILE 77 QG1 ILE 77 3.439 -1.042 11.768 820 H GLU 78 H GLU 78 5.093 1.525 11.428 821 HA GLU 78 HA GLU 78 6.379 0.708 8.977 822 1HB GLU 78 1HB GLU 78 6.293 3.342 9.331 823 2HB GLU 78 2HB GLU 78 7.589 3.038 10.470 824 1HG GLU 78 1HG GLU 78 9.016 3.045 8.707 825 2HG GLU 78 2HG GLU 78 8.324 1.507 8.231 826 QB GLU 78 QB GLU 78 6.941 3.190 9.901 827 QG GLU 78 QG GLU 78 8.670 2.276 8.469 828 H ASP 79 H ASP 79 9.000 1.668 10.405 829 HA ASP 79 HA ASP 79 9.263 -0.771 11.895 830 1HB ASP 79 1HB ASP 79 11.100 1.286 10.703 831 2HB ASP 79 2HB ASP 79 11.709 0.421 12.101 832 QB ASP 79 QB ASP 79 11.404 0.853 11.402 833 H VAL 80 H VAL 80 7.787 0.071 13.684 834 HA VAL 80 HA VAL 80 8.893 2.248 15.254 835 HB VAL 80 HB VAL 80 6.439 1.935 14.649 836 1HG1 VAL 80 2HG1 VAL 80 6.670 -0.588 15.465 837 2HG1 VAL 80 3HG1 VAL 80 6.203 0.133 17.025 838 3HG1 VAL 80 1HG1 VAL 80 5.139 0.308 15.609 839 1HG2 VAL 80 2HG2 VAL 80 7.649 3.202 16.724 840 2HG2 VAL 80 3HG2 VAL 80 5.900 3.268 16.397 841 3HG2 VAL 80 1HG2 VAL 80 6.538 2.126 17.605 842 MG1 VAL 80 QG1 VAL 80 6.004 -0.049 16.033 843 MG2 VAL 80 QG2 VAL 80 6.696 2.865 16.909 844 QG VAL 80 QQG VAL 80 6.350 1.408 16.471 845 H GLN 81 H GLN 81 10.505 1.791 16.658 846 HA GLN 81 HA GLN 81 11.466 -0.572 17.329 847 1HB GLN 81 1HB GLN 81 12.597 1.413 18.050 848 2HB GLN 81 2HB GLN 81 11.231 1.949 19.006 849 1HG GLN 81 1HG GLN 81 11.572 0.212 20.655 850 2HG GLN 81 2HG GLN 81 12.690 -0.653 19.619 851 1HE2 GLN 81 1HE2 GLN 81 14.653 -0.547 20.376 852 2HE2 GLN 81 2HE2 GLN 81 15.452 0.837 21.042 853 QB GLN 81 QB GLN 81 11.914 1.681 18.528 854 QG GLN 81 QG GLN 81 12.131 -0.221 20.137 855 QE GLN 81 QE2 GLN 81 15.052 0.145 20.709 No H/Q in entry = 855 Start of MODEL 9 1 H MET 1 H MET 1 29.268 -17.169 21.096 2 HA MET 1 HA MET 1 28.503 -14.996 21.397 3 1HB MET 1 1HB MET 1 30.958 -15.494 21.952 4 2HB MET 1 2HB MET 1 31.399 -14.818 20.396 5 1HG MET 1 1HG MET 1 29.722 -12.854 21.550 6 2HG MET 1 2HG MET 1 30.693 -13.429 22.891 7 1HE MET 1 2HE MET 1 33.087 -13.652 22.953 8 2HE MET 1 3HE MET 1 33.612 -14.215 21.348 9 3HE MET 1 1HE MET 1 34.264 -12.700 22.016 10 QB MET 1 QB MET 1 31.178 -15.156 21.174 11 QG MET 1 QG MET 1 30.207 -13.142 22.220 12 ME MET 1 QE MET 1 33.654 -13.522 22.106 13 H ARG 2 H ARG 2 26.974 -14.217 19.898 14 HA ARG 2 HA ARG 2 27.869 -12.221 18.211 15 1HB ARG 2 1HB ARG 2 28.423 -14.444 16.890 16 2HB ARG 2 2HB ARG 2 26.695 -14.525 16.607 17 1HG ARG 2 1HG ARG 2 27.001 -13.119 14.852 18 2HG ARG 2 2HG ARG 2 27.340 -11.849 16.010 19 1HD ARG 2 1HD ARG 2 29.777 -12.585 16.015 20 2HD ARG 2 2HD ARG 2 29.393 -13.724 14.741 21 HE ARG 2 HE ARG 2 29.690 -10.841 14.455 22 1HH1 ARG 2 2HH1 ARG 2 29.433 -9.919 12.380 23 2HH1 ARG 2 1HH1 ARG 2 28.661 -10.823 11.121 24 1HH2 ARG 2 2HH2 ARG 2 28.083 -13.670 13.113 25 2HH2 ARG 2 1HH2 ARG 2 27.889 -12.972 11.540 26 QB ARG 2 QB ARG 2 27.559 -14.485 16.749 27 QG ARG 2 QG ARG 2 27.170 -12.484 15.431 28 QD ARG 2 QD ARG 2 29.585 -13.155 15.378 29 QH1 ARG 2 QH1 ARG 2 29.047 -10.371 11.751 30 QH2 ARG 2 QH2 ARG 2 27.986 -13.321 12.327 31 H SER 3 H SER 3 26.132 -10.806 17.941 32 HA SER 3 HA SER 3 23.636 -11.681 19.003 33 1HB SER 3 1HB SER 3 24.811 -9.371 19.309 34 2HB SER 3 2HB SER 3 24.183 -8.983 17.719 35 HG SER 3 HG SER 3 22.795 -8.338 19.569 36 QB SER 3 QB SER 3 24.497 -9.177 18.514 37 H LEU 4 H LEU 4 21.593 -10.624 17.668 38 HA LEU 4 HA LEU 4 21.953 -11.387 14.859 39 1HB LEU 4 1HB LEU 4 19.862 -12.552 14.871 40 2HB LEU 4 2HB LEU 4 20.938 -13.240 16.070 41 HG LEU 4 HG LEU 4 19.656 -11.690 17.746 42 1HD1 LEU 4 3HD1 LEU 4 18.366 -10.886 15.453 43 2HD1 LEU 4 1HD1 LEU 4 17.226 -12.059 16.153 44 3HD1 LEU 4 2HD1 LEU 4 17.774 -10.665 17.116 45 1HD2 LEU 4 1HD2 LEU 4 19.640 -14.289 17.375 46 2HD2 LEU 4 2HD2 LEU 4 18.427 -13.510 18.420 47 3HD2 LEU 4 3HD2 LEU 4 17.998 -13.980 16.759 48 MD1 LEU 4 QD1 LEU 4 17.789 -11.203 16.241 49 MD2 LEU 4 QD2 LEU 4 18.688 -13.926 17.518 50 QB LEU 4 QB LEU 4 20.400 -12.896 15.471 51 QD LEU 4 QQD LEU 4 18.238 -12.565 16.879 52 H GLU 5 H GLU 5 20.083 -10.508 13.474 53 HA GLU 5 HA GLU 5 19.449 -7.860 14.516 54 1HB GLU 5 1HB GLU 5 20.971 -8.233 12.393 55 2HB GLU 5 2HB GLU 5 19.459 -8.554 11.568 56 1HG GLU 5 1HG GLU 5 19.187 -6.315 11.335 57 2HG GLU 5 2HG GLU 5 18.937 -6.218 13.067 58 QB GLU 5 QB GLU 5 20.215 -8.393 11.981 59 QG GLU 5 QG GLU 5 19.062 -6.267 12.201 60 H THR 6 H THR 6 17.324 -6.936 13.921 61 HA THR 6 HA THR 6 15.359 -9.008 13.203 62 HB THR 6 HB THR 6 13.869 -7.945 14.934 63 HG1 THR 6 HG1 THR 6 15.195 -5.881 14.733 64 1HG2 THR 6 1HG2 THR 6 16.471 -9.254 15.594 65 2HG2 THR 6 2HG2 THR 6 15.758 -8.308 16.923 66 3HG2 THR 6 3HG2 THR 6 14.834 -9.636 16.180 67 MG THR 6 QG2 THR 6 15.687 -9.066 16.232 68 H PHE 7 H PHE 7 13.169 -7.909 12.617 69 HA PHE 7 HA PHE 7 13.328 -5.289 11.562 70 1HB PHE 7 1HB PHE 7 13.763 -7.773 9.852 71 2HB PHE 7 2HB PHE 7 12.873 -6.438 9.146 72 HD1 PHE 7 HD1 PHE 7 15.971 -7.847 9.230 73 HD2 PHE 7 HD2 PHE 7 14.148 -4.050 9.755 74 HE1 PHE 7 HE1 PHE 7 18.133 -6.726 8.625 75 HE2 PHE 7 HE2 PHE 7 16.311 -2.930 9.150 76 HZ PHE 7 HZ PHE 7 18.277 -4.281 8.592 77 QB PHE 7 QB PHE 7 13.318 -7.106 9.499 78 QD PHE 7 QD PHE 7 15.059 -5.949 9.493 79 QE PHE 7 QE PHE 7 17.222 -4.828 8.887 80 QR PHE 7 QR PHE 7 16.568 -5.167 9.070 81 H VAL 8 H VAL 8 11.336 -5.214 9.723 82 HA VAL 8 HA VAL 8 9.108 -6.455 11.173 83 HB VAL 8 HB VAL 8 9.509 -3.849 9.765 84 1HG1 VAL 8 1HG1 VAL 8 7.011 -5.481 9.728 85 2HG1 VAL 8 2HG1 VAL 8 6.849 -3.743 10.073 86 3HG1 VAL 8 3HG1 VAL 8 7.618 -4.281 8.561 87 1HG2 VAL 8 1HG2 VAL 8 8.628 -4.828 12.437 88 2HG2 VAL 8 2HG2 VAL 8 9.631 -3.424 11.999 89 3HG2 VAL 8 3HG2 VAL 8 7.861 -3.341 11.830 90 MG1 VAL 8 QG1 VAL 8 7.160 -4.502 9.454 91 MG2 VAL 8 QG2 VAL 8 8.707 -3.864 12.088 92 QG VAL 8 QQG VAL 8 7.933 -4.183 10.771 93 H GLY 9 H GLY 9 9.371 -5.063 7.849 94 1HA GLY 9 2HA GLY 9 8.297 -7.614 6.827 95 2HA GLY 9 1HA GLY 9 9.702 -6.872 6.088 96 QA GLY 9 QA GLY 9 9.000 -7.243 6.458 97 H ASP 10 H ASP 10 6.379 -7.176 5.841 98 HA ASP 10 HA ASP 10 6.159 -5.431 3.761 99 1HB ASP 10 1HB ASP 10 3.578 -5.554 4.545 100 2HB ASP 10 2HB ASP 10 4.386 -6.906 3.777 101 QB ASP 10 QB ASP 10 3.982 -6.230 4.161 102 H GLN 11 H GLN 11 4.003 -3.723 4.026 103 HA GLN 11 HA GLN 11 4.073 -2.264 6.437 104 1HB GLN 11 1HB GLN 11 6.242 -1.553 5.290 105 2HB GLN 11 2HB GLN 11 5.266 -0.853 4.014 106 1HG GLN 11 1HG GLN 11 4.019 0.298 6.124 107 2HG GLN 11 2HG GLN 11 5.583 0.039 6.871 108 1HE2 GLN 11 1HE2 GLN 11 3.749 1.796 4.558 109 2HE2 GLN 11 2HE2 GLN 11 4.967 2.910 4.031 110 QB GLN 11 QB GLN 11 5.754 -1.203 4.652 111 QG GLN 11 QG GLN 11 4.801 0.168 6.497 112 QE GLN 11 QE2 GLN 11 4.358 2.353 4.295 113 H VAL 12 H VAL 12 2.159 -1.108 6.642 114 HA VAL 12 HA VAL 12 0.385 -1.241 4.346 115 HB VAL 12 HB VAL 12 -0.452 -0.164 6.992 116 1HG1 VAL 12 2HG1 VAL 12 -1.669 -2.003 4.912 117 2HG1 VAL 12 3HG1 VAL 12 -2.435 -1.639 6.477 118 3HG1 VAL 12 1HG1 VAL 12 -2.138 -0.332 5.306 119 1HG2 VAL 12 3HG2 VAL 12 0.429 -3.016 6.516 120 2HG2 VAL 12 1HG2 VAL 12 0.862 -1.921 7.850 121 3HG2 VAL 12 2HG2 VAL 12 -0.782 -2.595 7.750 122 MG1 VAL 12 QG1 VAL 12 -2.081 -1.325 5.565 123 MG2 VAL 12 QG2 VAL 12 0.170 -2.511 7.372 124 QG VAL 12 QQG VAL 12 -0.955 -1.918 6.468 125 H LEU 13 H LEU 13 -1.120 0.755 4.063 126 HA LEU 13 HA LEU 13 0.067 3.265 4.767 127 1HB LEU 13 1HB LEU 13 0.797 4.004 2.724 128 2HB LEU 13 2HB LEU 13 1.374 2.350 2.764 129 HG LEU 13 HG LEU 13 -1.157 2.201 1.550 130 1HD1 LEU 13 3HD1 LEU 13 -1.098 4.651 1.275 131 2HD1 LEU 13 1HD1 LEU 13 0.426 4.498 0.366 132 3HD1 LEU 13 2HD1 LEU 13 -1.073 3.787 -0.281 133 1HD2 LEU 13 3HD2 LEU 13 1.651 1.701 0.894 134 2HD2 LEU 13 1HD2 LEU 13 0.194 0.742 0.535 135 3HD2 LEU 13 2HD2 LEU 13 0.651 2.096 -0.526 136 MD1 LEU 13 QD1 LEU 13 -0.582 4.312 0.453 137 MD2 LEU 13 QD2 LEU 13 0.832 1.513 0.301 138 QB LEU 13 QB LEU 13 1.086 3.177 2.744 139 QD LEU 13 QQD LEU 13 0.125 2.913 0.377 140 H GLU 14 H GLU 14 -1.417 4.996 4.530 141 HA GLU 14 HA GLU 14 -4.105 4.029 4.043 142 1HB GLU 14 1HB GLU 14 -4.648 6.367 5.113 143 2HB GLU 14 2HB GLU 14 -4.086 5.063 6.139 144 1HG GLU 14 1HG GLU 14 -1.981 6.018 6.459 145 2HG GLU 14 2HG GLU 14 -1.978 6.810 4.895 146 QB GLU 14 QB GLU 14 -4.367 5.715 5.626 147 QG GLU 14 QG GLU 14 -1.980 6.414 5.677 148 H ILE 15 H ILE 15 -5.225 4.601 2.221 149 HA ILE 15 HA ILE 15 -4.105 6.824 0.658 150 HB ILE 15 HB ILE 15 -5.485 4.310 -0.287 151 1HG1 ILE 15 1HG1 ILE 15 -2.696 5.042 -1.064 152 2HG1 ILE 15 2HG1 ILE 15 -2.949 4.428 0.558 153 1HG2 ILE 15 1HG2 ILE 15 -6.066 6.279 -1.653 154 2HG2 ILE 15 2HG2 ILE 15 -4.333 6.592 -1.915 155 3HG2 ILE 15 3HG2 ILE 15 -5.072 5.099 -2.543 156 1HD1 ILE 15 2HD1 ILE 15 -4.320 2.517 -0.567 157 2HD1 ILE 15 3HD1 ILE 15 -3.561 3.061 -2.083 158 3HD1 ILE 15 1HD1 ILE 15 -2.548 2.479 -0.740 159 MG ILE 15 QG2 ILE 15 -5.157 5.990 -2.037 160 MD ILE 15 QD1 ILE 15 -3.476 2.686 -1.130 161 QG ILE 15 QG1 ILE 15 -2.823 4.735 -0.253 162 H VAL 16 H VAL 16 -5.579 8.300 -0.322 163 HA VAL 16 HA VAL 16 -8.364 7.998 0.516 164 HB VAL 16 HB VAL 16 -6.700 10.496 0.889 165 1HG1 VAL 16 3HG1 VAL 16 -9.606 9.929 0.977 166 2HG1 VAL 16 1HG1 VAL 16 -8.968 10.874 2.345 167 3HG1 VAL 16 2HG1 VAL 16 -8.738 11.454 0.677 168 1HG2 VAL 16 2HG2 VAL 16 -7.292 8.211 2.669 169 2HG2 VAL 16 3HG2 VAL 16 -5.981 9.413 2.736 170 3HG2 VAL 16 1HG2 VAL 16 -7.591 9.817 3.378 171 MG1 VAL 16 QG1 VAL 16 -9.104 10.752 1.333 172 MG2 VAL 16 QG2 VAL 16 -6.955 9.147 2.928 173 QG VAL 16 QQG VAL 16 -8.029 9.950 2.131 174 HA PRO 17 HA PRO 17 -8.233 9.047 -3.802 175 1HB PRO 17 1HB PRO 17 -10.436 7.606 -4.534 176 2HB PRO 17 2HB PRO 17 -8.812 6.948 -4.552 177 1HG PRO 17 1HG PRO 17 -10.993 6.447 -2.621 178 2HG PRO 17 2HG PRO 17 -9.543 5.506 -2.907 179 1HD PRO 17 1HD PRO 17 -10.023 7.293 -0.716 180 2HD PRO 17 2HD PRO 17 -8.533 6.441 -1.066 181 QB PRO 17 QB PRO 17 -9.624 7.277 -4.543 182 QG PRO 17 QG PRO 17 -10.268 5.977 -2.764 183 QD PRO 17 QD PRO 17 -9.278 6.867 -0.891 184 H SER 18 H SER 18 -10.148 9.772 -5.389 185 HA SER 18 HA SER 18 -12.100 11.198 -3.855 186 1HB SER 18 1HB SER 18 -9.889 12.614 -4.072 187 2HB SER 18 2HB SER 18 -10.387 12.844 -5.737 188 HG SER 18 HG SER 18 -12.219 13.951 -5.092 189 QB SER 18 QB SER 18 -10.138 12.729 -4.905 190 H ASN 19 H ASN 19 -10.493 10.616 -7.043 191 HA ASN 19 HA ASN 19 -13.111 10.879 -8.279 192 1HB ASN 19 1HB ASN 19 -10.272 11.253 -9.215 193 2HB ASN 19 2HB ASN 19 -11.402 10.631 -10.400 194 1HD2 ASN 19 1HD2 ASN 19 -9.966 13.283 -9.801 195 2HD2 ASN 19 2HD2 ASN 19 -11.189 14.496 -9.991 196 QB ASN 19 QB ASN 19 -10.837 10.942 -9.807 197 QD ASN 19 QD2 ASN 19 -10.577 13.890 -9.896 198 H GLU 20 H GLU 20 -13.042 9.289 -10.460 199 HA GLU 20 HA GLU 20 -12.788 6.674 -9.318 200 1HB GLU 20 1HB GLU 20 -14.056 7.837 -11.797 201 2HB GLU 20 2HB GLU 20 -13.722 6.117 -11.754 202 1HG GLU 20 1HG GLU 20 -15.769 5.982 -10.735 203 2HG GLU 20 2HG GLU 20 -14.881 6.421 -9.291 204 QB GLU 20 QB GLU 20 -13.889 6.977 -11.776 205 QG GLU 20 QG GLU 20 -15.325 6.201 -10.013 206 H GLU 21 H GLU 21 -10.963 8.836 -11.345 207 HA GLU 21 HA GLU 21 -9.674 6.957 -12.935 208 1HB GLU 21 1HB GLU 21 -9.461 9.178 -13.665 209 2HB GLU 21 2HB GLU 21 -9.101 9.787 -12.061 210 1HG GLU 21 1HG GLU 21 -7.054 9.824 -13.412 211 2HG GLU 21 2HG GLU 21 -6.873 8.645 -12.127 212 QB GLU 21 QB GLU 21 -9.281 9.483 -12.863 213 QG GLU 21 QG GLU 21 -6.964 9.234 -12.770 214 H GLN 22 H GLN 22 -8.523 8.657 -9.926 215 HA GLN 22 HA GLN 22 -6.216 7.162 -9.699 216 1HB GLN 22 1HB GLN 22 -7.825 8.471 -7.462 217 2HB GLN 22 2HB GLN 22 -6.132 8.026 -7.381 218 1HG GLN 22 1HG GLN 22 -5.806 10.207 -8.033 219 2HG GLN 22 2HG GLN 22 -6.058 9.548 -9.637 220 1HE2 GLN 22 1HE2 GLN 22 -7.819 10.836 -6.834 221 2HE2 GLN 22 2HE2 GLN 22 -9.060 11.668 -7.711 222 QB GLN 22 QB GLN 22 -6.978 8.248 -7.422 223 QG GLN 22 QG GLN 22 -5.932 9.877 -8.835 224 QE GLN 22 QE2 GLN 22 -8.440 11.252 -7.273 225 H ILE 23 H ILE 23 -9.577 6.503 -8.755 226 HA ILE 23 HA ILE 23 -8.902 4.346 -7.012 227 HB ILE 23 HB ILE 23 -11.417 5.483 -8.174 228 1HG1 ILE 23 1HG1 ILE 23 -10.591 4.988 -5.301 229 2HG1 ILE 23 2HG1 ILE 23 -10.254 6.475 -6.164 230 1HG2 ILE 23 3HG2 ILE 23 -11.058 2.763 -6.955 231 2HG2 ILE 23 1HG2 ILE 23 -12.557 3.680 -6.671 232 3HG2 ILE 23 2HG2 ILE 23 -12.064 3.273 -8.333 233 1HD1 ILE 23 3HD1 ILE 23 -13.077 5.589 -6.392 234 2HD1 ILE 23 1HD1 ILE 23 -12.563 5.977 -4.732 235 3HD1 ILE 23 2HD1 ILE 23 -12.417 7.199 -6.019 236 MG ILE 23 QG2 ILE 23 -11.893 3.239 -7.320 237 MD ILE 23 QD1 ILE 23 -12.686 6.255 -5.714 238 QG ILE 23 QG1 ILE 23 -10.423 5.731 -5.733 239 H LYS 24 H LYS 24 -9.992 4.710 -10.434 240 HA LYS 24 HA LYS 24 -10.196 1.956 -10.921 241 1HB LYS 24 1HB LYS 24 -11.340 3.248 -12.449 242 2HB LYS 24 2HB LYS 24 -10.067 4.445 -12.576 243 1HG LYS 24 1HG LYS 24 -8.635 2.792 -13.796 244 2HG LYS 24 2HG LYS 24 -9.909 1.595 -13.671 245 1HD LYS 24 1HD LYS 24 -11.317 3.681 -14.772 246 2HD LYS 24 2HD LYS 24 -9.728 4.000 -15.439 247 1HE LYS 24 1HE LYS 24 -9.890 1.285 -15.851 248 2HE LYS 24 2HE LYS 24 -11.585 1.716 -15.967 249 1HZ LYS 24 1HZ LYS 24 -9.601 3.296 -17.404 250 2HZ LYS 24 2HZ LYS 24 -10.107 1.873 -18.026 251 3HZ LYS 24 3HZ LYS 24 -11.182 3.071 -17.749 252 QB LYS 24 QB LYS 24 -10.704 3.846 -12.512 253 QD LYS 24 QD LYS 24 -10.523 3.841 -15.105 254 QG LYS 24 QG LYS 24 -9.272 2.193 -13.733 255 QE LYS 24 QE LYS 24 -10.738 1.501 -15.909 256 QZ LYS 24 QZ LYS 24 -10.297 2.747 -17.726 257 H ASN 25 H ASN 25 -7.483 4.021 -10.366 258 HA ASN 25 HA ASN 25 -5.681 2.580 -12.002 259 1HB ASN 25 1HB ASN 25 -5.527 4.764 -9.936 260 2HB ASN 25 2HB ASN 25 -4.063 3.832 -10.177 261 1HD2 ASN 25 1HD2 ASN 25 -6.175 6.217 -11.404 262 2HD2 ASN 25 2HD2 ASN 25 -5.352 6.591 -12.881 263 QB ASN 25 QB ASN 25 -4.795 4.298 -10.057 264 QD ASN 25 QD2 ASN 25 -5.764 6.404 -12.143 265 H LEU 26 H LEU 26 -6.881 2.498 -8.633 266 HA LEU 26 HA LEU 26 -4.852 0.826 -7.603 267 1HB LEU 26 1HB LEU 26 -7.499 1.847 -6.733 268 2HB LEU 26 2HB LEU 26 -6.919 0.392 -5.947 269 HG LEU 26 HG LEU 26 -5.614 3.119 -5.991 270 1HD1 LEU 26 1HD1 LEU 26 -6.868 1.397 -3.856 271 2HD1 LEU 26 2HD1 LEU 26 -5.740 2.717 -3.466 272 3HD1 LEU 26 3HD1 LEU 26 -7.259 3.069 -4.323 273 1HD2 LEU 26 2HD2 LEU 26 -4.375 0.478 -5.654 274 2HD2 LEU 26 3HD2 LEU 26 -3.642 2.064 -5.992 275 3HD2 LEU 26 1HD2 LEU 26 -4.050 1.612 -4.321 276 MD1 LEU 26 QD1 LEU 26 -6.622 2.395 -3.882 277 MD2 LEU 26 QD2 LEU 26 -4.022 1.384 -5.322 278 QB LEU 26 QB LEU 26 -7.209 1.120 -6.340 279 QD LEU 26 QQD LEU 26 -5.322 1.889 -4.602 280 H LEU 27 H LEU 27 -8.179 0.218 -8.903 281 HA LEU 27 HA LEU 27 -8.238 -2.499 -8.469 282 1HB LEU 27 1HB LEU 27 -9.533 -0.625 -10.396 283 2HB LEU 27 2HB LEU 27 -9.698 -2.349 -10.671 284 HG LEU 27 HG LEU 27 -10.268 -1.771 -7.906 285 1HD1 LEU 27 2HD1 LEU 27 -10.837 0.463 -9.323 286 2HD1 LEU 27 3HD1 LEU 27 -12.359 -0.439 -9.518 287 3HD1 LEU 27 1HD1 LEU 27 -11.744 -0.070 -7.888 288 1HD2 LEU 27 2HD2 LEU 27 -11.078 -3.542 -9.844 289 2HD2 LEU 27 3HD2 LEU 27 -11.816 -3.349 -8.236 290 3HD2 LEU 27 1HD2 LEU 27 -12.513 -2.509 -9.643 291 MD1 LEU 27 QD1 LEU 27 -11.647 -0.015 -8.910 292 MD2 LEU 27 QD2 LEU 27 -11.803 -3.133 -9.241 293 QB LEU 27 QB LEU 27 -9.615 -1.487 -10.534 294 QD LEU 27 QQD LEU 27 -11.725 -1.574 -9.075 295 H GLN 28 H GLN 28 -7.112 -0.725 -11.434 296 HA GLN 28 HA GLN 28 -6.353 -2.938 -12.833 297 1HB GLN 28 1HB GLN 28 -6.389 -0.319 -13.385 298 2HB GLN 28 2HB GLN 28 -4.682 -0.434 -13.004 299 1HG GLN 28 1HG GLN 28 -5.387 -2.677 -14.696 300 2HG GLN 28 2HG GLN 28 -6.017 -1.216 -15.430 301 1HE2 GLN 28 1HE2 GLN 28 -3.515 -3.201 -15.500 302 2HE2 GLN 28 2HE2 GLN 28 -2.199 -2.144 -15.893 303 QB GLN 28 QB GLN 28 -5.536 -0.377 -13.194 304 QG GLN 28 QG GLN 28 -5.702 -1.946 -15.063 305 QE GLN 28 QE2 GLN 28 -2.857 -2.673 -15.696 306 H LEU 29 H LEU 29 -4.673 -1.179 -10.213 307 HA LEU 29 HA LEU 29 -2.164 -2.402 -10.598 308 1HB LEU 29 1HB LEU 29 -2.138 -0.414 -9.418 309 2HB LEU 29 2HB LEU 29 -3.500 -0.860 -8.410 310 HG LEU 29 HG LEU 29 -2.018 -2.565 -7.289 311 1HD1 LEU 29 3HD1 LEU 29 0.103 -1.184 -8.947 312 2HD1 LEU 29 1HD1 LEU 29 0.453 -2.164 -7.503 313 3HD1 LEU 29 2HD1 LEU 29 -0.319 -2.913 -8.922 314 1HD2 LEU 29 3HD2 LEU 29 -1.728 0.392 -7.109 315 2HD2 LEU 29 1HD2 LEU 29 -2.300 -0.787 -5.905 316 3HD2 LEU 29 2HD2 LEU 29 -0.557 -0.604 -6.213 317 MD1 LEU 29 QD1 LEU 29 0.079 -2.087 -8.457 318 MD2 LEU 29 QD2 LEU 29 -1.529 -0.333 -6.409 319 QB LEU 29 QB LEU 29 -2.819 -0.637 -8.914 320 QD LEU 29 QQD LEU 29 -0.725 -1.210 -7.433 321 H GLU 30 H GLU 30 -4.682 -2.986 -8.035 322 HA GLU 30 HA GLU 30 -3.572 -5.189 -6.963 323 1HB GLU 30 1HB GLU 30 -5.814 -3.845 -6.459 324 2HB GLU 30 2HB GLU 30 -6.562 -5.133 -7.383 325 1HG GLU 30 1HG GLU 30 -4.956 -6.625 -5.747 326 2HG GLU 30 2HG GLU 30 -5.224 -5.242 -4.704 327 QB GLU 30 QB GLU 30 -6.188 -4.489 -6.921 328 QG GLU 30 QG GLU 30 -5.090 -5.934 -5.226 329 H ALA 31 H ALA 31 -5.018 -4.842 -10.138 330 HA ALA 31 HA ALA 31 -5.657 -7.573 -10.538 331 1HB ALA 31 3HB ALA 31 -6.180 -6.897 -12.728 332 2HB ALA 31 1HB ALA 31 -6.463 -5.422 -11.772 333 3HB ALA 31 2HB ALA 31 -4.967 -5.595 -12.720 334 MB ALA 31 QB ALA 31 -5.870 -5.971 -12.407 335 H GLN 32 H GLN 32 -2.805 -5.477 -11.275 336 HA GLN 32 HA GLN 32 -1.363 -7.171 -12.777 337 1HB GLN 32 1HB GLN 32 -0.689 -5.034 -10.791 338 2HB GLN 32 2HB GLN 32 0.631 -6.076 -11.282 339 1HG GLN 32 1HG GLN 32 -1.212 -4.659 -13.261 340 2HG GLN 32 2HG GLN 32 0.312 -3.987 -12.716 341 1HE2 GLN 32 1HE2 GLN 32 0.409 -4.153 -15.198 342 2HE2 GLN 32 2HE2 GLN 32 1.206 -5.548 -15.845 343 QB GLN 32 QB GLN 32 -0.029 -5.555 -11.037 344 QG GLN 32 QG GLN 32 -0.450 -4.323 -12.988 345 QE GLN 32 QE2 GLN 32 0.807 -4.851 -15.521 346 H GLU 33 H GLU 33 -1.170 -9.360 -12.431 347 HA GLU 33 HA GLU 33 -1.404 -10.731 -10.196 348 1HB GLU 33 1HB GLU 33 0.236 -11.134 -12.669 349 2HB GLU 33 2HB GLU 33 0.582 -12.207 -11.328 350 1HG GLU 33 1HG GLU 33 -1.194 -13.451 -12.007 351 2HG GLU 33 2HG GLU 33 -2.219 -12.170 -11.389 352 QB GLU 33 QB GLU 33 0.409 -11.670 -11.998 353 QG GLU 33 QG GLU 33 -1.707 -12.811 -11.698 354 H HIS 34 H HIS 34 1.802 -9.492 -11.395 355 HA HIS 34 HA HIS 34 3.276 -10.302 -9.221 356 1HB HIS 34 1HB HIS 34 3.866 -7.737 -10.678 357 2HB HIS 34 2HB HIS 34 4.984 -8.928 -10.043 358 HD1 HIS 34 HD1 HIS 34 4.847 -11.382 -11.362 359 HD2 HIS 34 HD2 HIS 34 3.391 -7.993 -13.360 360 HE1 HIS 34 HE1 HIS 34 4.766 -11.992 -13.838 361 HE2 HIS 34 HE2 HIS 34 3.812 -9.890 -15.008 362 QB HIS 34 QB HIS 34 4.425 -8.332 -10.360 363 H LEU 35 H LEU 35 1.330 -7.319 -9.740 364 HA LEU 35 HA LEU 35 2.045 -6.421 -7.065 365 1HB LEU 35 1HB LEU 35 0.902 -5.190 -9.514 366 2HB LEU 35 2HB LEU 35 0.380 -4.530 -7.976 367 HG LEU 35 HG LEU 35 3.271 -4.793 -8.848 368 1HD1 LEU 35 3HD1 LEU 35 1.432 -3.034 -9.879 369 2HD1 LEU 35 1HD1 LEU 35 2.154 -2.097 -8.550 370 3HD1 LEU 35 2HD1 LEU 35 3.193 -2.781 -9.822 371 1HD2 LEU 35 1HD2 LEU 35 1.965 -4.011 -6.315 372 2HD2 LEU 35 2HD2 LEU 35 3.595 -4.655 -6.627 373 3HD2 LEU 35 3HD2 LEU 35 3.257 -2.926 -6.883 374 MD1 LEU 35 QD1 LEU 35 2.260 -2.637 -9.417 375 MD2 LEU 35 QD2 LEU 35 2.939 -3.864 -6.608 376 QB LEU 35 QB LEU 35 0.641 -4.860 -8.745 377 QD LEU 35 QQD LEU 35 2.599 -3.251 -8.013 378 H GLN 36 H GLN 36 0.719 -8.847 -6.980 379 HA GLN 36 HA GLN 36 -2.058 -8.538 -6.878 380 1HB GLN 36 1HB GLN 36 -0.060 -10.616 -6.072 381 2HB GLN 36 2HB GLN 36 -1.622 -10.704 -5.283 382 1HG GLN 36 1HG GLN 36 -2.767 -11.162 -7.267 383 2HG GLN 36 2HG GLN 36 -1.619 -10.291 -8.264 384 1HE2 GLN 36 1HE2 GLN 36 -2.615 -12.841 -8.832 385 2HE2 GLN 36 2HE2 GLN 36 -1.323 -13.994 -8.796 386 QB GLN 36 QB GLN 36 -0.841 -10.660 -5.678 387 QG GLN 36 QG GLN 36 -2.193 -10.726 -7.765 388 QE GLN 36 QE2 GLN 36 -1.969 -13.417 -8.814 389 H LEU 37 H LEU 37 -1.801 -6.353 -5.628 390 HA LEU 37 HA LEU 37 -1.162 -6.528 -2.867 391 1HB LEU 37 1HB LEU 37 -2.643 -4.397 -4.416 392 2HB LEU 37 2HB LEU 37 -2.017 -4.234 -2.787 393 HG LEU 37 HG LEU 37 -0.028 -5.034 -4.835 394 1HD1 LEU 37 1HD1 LEU 37 -1.780 -2.770 -5.291 395 2HD1 LEU 37 2HD1 LEU 37 -0.088 -2.252 -5.098 396 3HD1 LEU 37 3HD1 LEU 37 -0.512 -3.465 -6.331 397 1HD2 LEU 37 3HD2 LEU 37 -0.158 -3.377 -2.355 398 2HD2 LEU 37 1HD2 LEU 37 1.005 -4.634 -2.841 399 3HD2 LEU 37 2HD2 LEU 37 1.105 -3.006 -3.553 400 MD1 LEU 37 QD1 LEU 37 -0.793 -2.829 -5.573 401 MD2 LEU 37 QD2 LEU 37 0.650 -3.672 -2.917 402 QB LEU 37 QB LEU 37 -2.330 -4.316 -3.602 403 QD LEU 37 QQD LEU 37 -0.071 -3.251 -4.245 404 H ASP 38 H ASP 38 -2.817 -5.869 -1.137 405 HA ASP 38 HA ASP 38 -5.387 -7.071 -1.791 406 1HB ASP 38 1HB ASP 38 -3.613 -8.425 -0.307 407 2HB ASP 38 2HB ASP 38 -4.180 -7.363 0.967 408 QB ASP 38 QB ASP 38 -3.897 -7.894 0.330 409 H PHE 39 H PHE 39 -6.897 -5.423 -1.508 410 HA PHE 39 HA PHE 39 -6.243 -3.203 0.207 411 1HB PHE 39 1HB PHE 39 -8.654 -3.992 -1.535 412 2HB PHE 39 2HB PHE 39 -8.514 -2.436 -0.741 413 HD1 PHE 39 HD1 PHE 39 -8.648 -3.357 -3.793 414 HD2 PHE 39 HD2 PHE 39 -5.582 -1.934 -1.229 415 HE1 PHE 39 HE1 PHE 39 -7.406 -2.455 -5.779 416 HE2 PHE 39 HE2 PHE 39 -4.339 -1.033 -3.214 417 HZ PHE 39 HZ PHE 39 -5.265 -1.303 -5.466 418 QB PHE 39 QB PHE 39 -8.584 -3.214 -1.138 419 QD PHE 39 QD PHE 39 -7.115 -2.645 -2.511 420 QE PHE 39 QE PHE 39 -5.872 -1.744 -4.497 421 QR PHE 39 QR PHE 39 -6.248 -2.016 -3.896 422 H TRP 40 H TRP 40 -6.931 -2.919 2.281 423 HA TRP 40 HA TRP 40 -8.321 -4.988 3.590 424 1HB TRP 40 1HB TRP 40 -7.380 -2.241 4.330 425 2HB TRP 40 2HB TRP 40 -8.465 -3.103 5.402 426 HD1 TRP 40 HD1 TRP 40 -6.145 -5.513 3.712 427 HE1 TRP 40 HE1 TRP 40 -4.188 -6.324 5.285 428 HE3 TRP 40 HE3 TRP 40 -6.906 -2.026 7.334 429 HZ2 TRP 40 HZ2 TRP 40 -3.199 -5.436 7.811 430 HZ3 TRP 40 HZ3 TRP 40 -5.400 -2.067 9.321 431 HH2 TRP 40 HH2 TRP 40 -3.598 -3.695 9.592 432 QB TRP 40 QB TRP 40 -7.922 -2.672 4.866 433 H LYS 41 H LYS 41 -9.237 -1.543 2.825 434 HA LYS 41 HA LYS 41 -12.011 -2.215 3.296 435 1HB LYS 41 1HB LYS 41 -10.670 -0.036 3.957 436 2HB LYS 41 2HB LYS 41 -11.072 0.464 2.327 437 1HG LYS 41 1HG LYS 41 -13.233 0.876 2.896 438 2HG LYS 41 2HG LYS 41 -13.416 -0.715 3.607 439 1HD LYS 41 1HD LYS 41 -12.209 0.149 5.680 440 2HD LYS 41 2HD LYS 41 -12.236 1.751 4.969 441 1HE LYS 41 1HE LYS 41 -14.726 1.685 4.872 442 2HE LYS 41 2HE LYS 41 -14.722 0.061 5.531 443 1HZ LYS 41 3HZ LYS 41 -13.641 2.428 6.898 444 2HZ LYS 41 1HZ LYS 41 -15.079 1.724 7.223 445 3HZ LYS 41 2HZ LYS 41 -13.690 0.916 7.513 446 QB LYS 41 QB LYS 41 -10.871 0.214 3.142 447 QD LYS 41 QD LYS 41 -12.223 0.950 5.324 448 QG LYS 41 QG LYS 41 -13.324 0.081 3.252 449 QE LYS 41 QE LYS 41 -14.724 0.873 5.202 450 QZ LYS 41 QZ LYS 41 -14.137 1.689 7.211 451 H SER 42 H SER 42 -12.622 -0.010 1.159 452 HA SER 42 HA SER 42 -12.181 -1.662 -1.185 453 1HB SER 42 1HB SER 42 -14.621 -1.111 -1.844 454 2HB SER 42 2HB SER 42 -14.376 -2.354 -0.634 455 HG SER 42 HG SER 42 -15.485 -1.180 0.762 456 QB SER 42 QB SER 42 -14.499 -1.733 -1.239 457 HA PRO 43 HA PRO 43 -11.254 2.579 -2.213 458 1HB PRO 43 1HB PRO 43 -9.322 2.036 -4.068 459 2HB PRO 43 2HB PRO 43 -8.980 2.252 -2.363 460 1HG PRO 43 1HG PRO 43 -9.061 -0.251 -3.934 461 2HG PRO 43 2HG PRO 43 -8.323 0.041 -2.372 462 1HD PRO 43 1HD PRO 43 -10.801 -1.316 -2.873 463 2HD PRO 43 2HD PRO 43 -10.119 -0.921 -1.307 464 QB PRO 43 QB PRO 43 -9.151 2.144 -3.216 465 QG PRO 43 QG PRO 43 -8.692 -0.105 -3.153 466 QD PRO 43 QD PRO 43 -10.460 -1.119 -2.090 467 H THR 44 H THR 44 -12.758 0.119 -3.798 468 HA THR 44 HA THR 44 -12.909 0.902 -6.409 469 HB THR 44 HB THR 44 -14.734 -0.461 -4.425 470 HG1 THR 44 HG1 THR 44 -13.192 -1.747 -5.499 471 1HG2 THR 44 3HG2 THR 44 -15.560 0.728 -7.066 472 2HG2 THR 44 1HG2 THR 44 -16.030 -0.962 -6.760 473 3HG2 THR 44 2HG2 THR 44 -16.560 0.324 -5.650 474 MG THR 44 QG2 THR 44 -16.050 0.030 -6.492 475 H THR 45 H THR 45 -14.289 2.507 -3.566 476 HA THR 45 HA THR 45 -15.255 4.602 -5.390 477 HB THR 45 HB THR 45 -17.309 4.749 -4.160 478 HG1 THR 45 HG1 THR 45 -16.386 4.585 -2.033 479 1HG2 THR 45 3HG2 THR 45 -17.032 2.513 -5.490 480 2HG2 THR 45 1HG2 THR 45 -16.734 1.765 -3.903 481 3HG2 THR 45 2HG2 THR 45 -18.292 2.559 -4.234 482 MG THR 45 QG2 THR 45 -17.353 2.279 -4.542 483 HA PRO 46 HA PRO 46 -13.062 7.283 -2.861 484 1HB PRO 46 1HB PRO 46 -14.416 9.633 -3.193 485 2HB PRO 46 2HB PRO 46 -13.276 9.009 -4.370 486 1HG PRO 46 1HG PRO 46 -16.231 9.043 -4.487 487 2HG PRO 46 2HG PRO 46 -15.082 8.826 -5.793 488 1HD PRO 46 1HD PRO 46 -16.640 6.781 -4.520 489 2HD PRO 46 2HD PRO 46 -15.409 6.550 -5.746 490 QB PRO 46 QB PRO 46 -13.846 9.321 -3.781 491 QG PRO 46 QG PRO 46 -15.656 8.934 -5.140 492 QD PRO 46 QD PRO 46 -16.025 6.666 -5.133 493 H GLY 47 H GLY 47 -13.667 9.433 -1.292 494 1HA GLY 47 2HA GLY 47 -15.839 9.185 0.379 495 2HA GLY 47 1HA GLY 47 -14.286 9.864 0.825 496 QA GLY 47 QA GLY 47 -15.063 9.524 0.602 497 H GLU 48 H GLU 48 -13.049 7.073 0.057 498 HA GLU 48 HA GLU 48 -13.540 5.971 2.689 499 1HB GLU 48 1HB GLU 48 -14.021 3.785 1.935 500 2HB GLU 48 2HB GLU 48 -14.959 4.801 0.858 501 1HG GLU 48 1HG GLU 48 -13.927 3.427 -0.710 502 2HG GLU 48 2HG GLU 48 -12.756 4.727 -0.647 503 QB GLU 48 QB GLU 48 -14.490 4.293 1.396 504 QG GLU 48 QG GLU 48 -13.341 4.077 -0.679 505 H THR 49 H THR 49 -11.622 5.536 3.705 506 HA THR 49 HA THR 49 -9.192 5.823 2.177 507 HB THR 49 HB THR 49 -8.287 5.427 4.623 508 HG1 THR 49 HG1 THR 49 -10.306 4.480 5.376 509 1HG2 THR 49 1HG2 THR 49 -9.302 7.741 3.342 510 2HG2 THR 49 2HG2 THR 49 -10.114 7.711 4.926 511 3HG2 THR 49 3HG2 THR 49 -8.336 7.707 4.838 512 MG THR 49 QG2 THR 49 -9.251 7.720 4.369 513 H ALA 50 H ALA 50 -7.559 4.289 1.873 514 HA ALA 50 HA ALA 50 -8.505 1.530 2.245 515 1HB ALA 50 1HB ALA 50 -7.782 1.030 0.138 516 2HB ALA 50 2HB ALA 50 -8.018 2.776 -0.121 517 3HB ALA 50 3HB ALA 50 -6.395 2.140 0.236 518 MB ALA 50 QB ALA 50 -7.398 1.982 0.084 519 H HIS 51 H HIS 51 -6.867 -0.075 2.808 520 HA HIS 51 HA HIS 51 -4.315 0.968 3.656 521 1HB HIS 51 1HB HIS 51 -5.787 -0.575 5.743 522 2HB HIS 51 2HB HIS 51 -4.500 0.601 5.916 523 HD1 HIS 51 HD1 HIS 51 -8.039 0.240 6.439 524 HD2 HIS 51 HD2 HIS 51 -5.536 3.379 5.222 525 HE1 HIS 51 HE1 HIS 51 -9.355 2.393 6.820 526 HE2 HIS 51 HE2 HIS 51 -7.745 4.289 6.105 527 QB HIS 51 QB HIS 51 -5.143 0.013 5.830 528 H VAL 52 H VAL 52 -3.291 -0.380 2.166 529 HA VAL 52 HA VAL 52 -3.844 -3.246 2.493 530 HB VAL 52 HB VAL 52 -4.273 -2.891 0.296 531 1HG1 VAL 52 3HG1 VAL 52 -2.213 -0.664 0.320 532 2HG1 VAL 52 1HG1 VAL 52 -3.096 -1.199 -1.130 533 3HG1 VAL 52 2HG1 VAL 52 -3.983 -0.501 0.247 534 1HG2 VAL 52 1HG2 VAL 52 -2.030 -4.258 0.726 535 2HG2 VAL 52 2HG2 VAL 52 -2.632 -3.935 -0.917 536 3HG2 VAL 52 3HG2 VAL 52 -1.329 -2.931 -0.234 537 MG1 VAL 52 QG1 VAL 52 -3.097 -0.788 -0.188 538 MG2 VAL 52 QG2 VAL 52 -1.997 -3.708 -0.142 539 QG VAL 52 QQG VAL 52 -2.547 -2.248 -0.165 540 H ARG 53 H ARG 53 -2.099 -4.687 2.824 541 HA ARG 53 HA ARG 53 0.151 -3.384 4.018 542 1HB ARG 53 1HB ARG 53 0.790 -5.789 4.623 543 2HB ARG 53 2HB ARG 53 -0.756 -5.256 5.252 544 1HG ARG 53 1HG ARG 53 -1.956 -6.702 3.920 545 2HG ARG 53 2HG ARG 53 -0.897 -6.482 2.541 546 1HD ARG 53 1HD ARG 53 0.066 -8.012 4.986 547 2HD ARG 53 2HD ARG 53 -0.913 -8.810 3.770 548 HE ARG 53 HE ARG 53 1.380 -7.330 2.674 549 1HH1 ARG 53 2HH1 ARG 53 3.015 -8.546 1.640 550 2HH1 ARG 53 1HH1 ARG 53 3.067 -10.266 1.834 551 1HH2 ARG 53 2HH2 ARG 53 0.239 -10.413 3.927 552 2HH2 ARG 53 1HH2 ARG 53 1.478 -11.336 3.144 553 QB ARG 53 QB ARG 53 0.017 -5.523 4.938 554 QG ARG 53 QG ARG 53 -1.427 -6.592 3.230 555 QD ARG 53 QD ARG 53 -0.424 -8.411 4.378 556 QH1 ARG 53 QH1 ARG 53 3.041 -9.406 1.737 557 QH2 ARG 53 QH2 ARG 53 0.858 -10.875 3.535 558 H VAL 54 H VAL 54 1.152 -2.501 2.050 559 HA VAL 54 HA VAL 54 1.978 -4.373 0.020 560 HB VAL 54 HB VAL 54 1.264 -2.255 -0.731 561 1HG1 VAL 54 1HG1 VAL 54 3.030 -1.165 1.454 562 2HG1 VAL 54 2HG1 VAL 54 2.607 -0.161 0.047 563 3HG1 VAL 54 3HG1 VAL 54 1.323 -0.810 1.095 564 1HG2 VAL 54 1HG2 VAL 54 4.231 -2.707 -0.861 565 2HG2 VAL 54 2HG2 VAL 54 3.001 -2.842 -2.139 566 3HG2 VAL 54 3HG2 VAL 54 3.534 -1.238 -1.583 567 MG1 VAL 54 QG1 VAL 54 2.320 -0.712 0.865 568 MG2 VAL 54 QG2 VAL 54 3.589 -2.262 -1.528 569 QG VAL 54 QQG VAL 54 2.954 -1.487 -0.331 570 HA PRO 55 HA PRO 55 5.832 -5.184 1.811 571 1HB PRO 55 1HB PRO 55 7.162 -6.203 -0.349 572 2HB PRO 55 2HB PRO 55 6.045 -7.144 0.620 573 1HG PRO 55 1HG PRO 55 5.647 -5.992 -2.073 574 2HG PRO 55 2HG PRO 55 4.740 -7.263 -1.278 575 1HD PRO 55 1HD PRO 55 3.930 -4.533 -1.620 576 2HD PRO 55 2HD PRO 55 3.077 -5.775 -0.725 577 QB PRO 55 QB PRO 55 6.603 -6.673 0.136 578 QG PRO 55 QG PRO 55 5.193 -6.628 -1.676 579 QD PRO 55 QD PRO 55 3.504 -5.154 -1.172 580 H PHE 56 H PHE 56 7.632 -4.117 2.429 581 HA PHE 56 HA PHE 56 8.038 -1.585 1.538 582 1HB PHE 56 1HB PHE 56 9.044 -3.120 3.490 583 2HB PHE 56 2HB PHE 56 10.313 -3.470 2.334 584 HD1 PHE 56 HD1 PHE 56 8.628 -0.661 4.086 585 HD2 PHE 56 HD2 PHE 56 12.114 -1.998 2.071 586 HE1 PHE 56 HE1 PHE 56 9.825 1.436 4.768 587 HE2 PHE 56 HE2 PHE 56 13.312 0.100 2.752 588 HZ PHE 56 HZ PHE 56 12.154 1.793 4.092 589 QB PHE 56 QB PHE 56 9.679 -3.295 2.912 590 QD PHE 56 QD PHE 56 10.371 -1.330 3.079 591 QE PHE 56 QE PHE 56 11.569 0.768 3.760 592 QR PHE 56 QR PHE 56 11.207 0.134 3.554 593 H VAL 57 H VAL 57 9.423 -4.646 0.245 594 HA VAL 57 HA VAL 57 11.261 -3.394 -1.480 595 HB VAL 57 HB VAL 57 11.648 -5.626 -0.900 596 1HG1 VAL 57 1HG1 VAL 57 8.746 -6.036 -1.556 597 2HG1 VAL 57 2HG1 VAL 57 9.870 -7.411 -1.667 598 3HG1 VAL 57 3HG1 VAL 57 9.674 -6.543 -0.125 599 1HG2 VAL 57 1HG2 VAL 57 11.971 -4.974 -3.356 600 2HG2 VAL 57 2HG2 VAL 57 11.941 -6.712 -2.976 601 3HG2 VAL 57 3HG2 VAL 57 10.507 -5.931 -3.685 602 MG1 VAL 57 QG1 VAL 57 9.430 -6.663 -1.116 603 MG2 VAL 57 QG2 VAL 57 11.473 -5.873 -3.339 604 QG VAL 57 QQG VAL 57 10.452 -6.268 -2.227 605 H ASN 58 H ASN 58 7.794 -3.758 -1.521 606 HA ASN 58 HA ASN 58 7.827 -3.003 -4.338 607 1HB ASN 58 1HB ASN 58 6.636 -5.208 -3.588 608 2HB ASN 58 2HB ASN 58 5.439 -4.173 -2.835 609 1HD2 ASN 58 1HD2 ASN 58 6.652 -5.516 -5.735 610 2HD2 ASN 58 2HD2 ASN 58 5.524 -4.829 -6.856 611 QB ASN 58 QB ASN 58 6.038 -4.690 -3.211 612 QD ASN 58 QD2 ASN 58 6.088 -5.173 -6.295 613 H VAL 59 H VAL 59 7.896 -1.570 -1.479 614 HA VAL 59 HA VAL 59 5.429 -0.123 -1.432 615 HB VAL 59 HB VAL 59 7.956 -0.250 0.127 616 1HG1 VAL 59 2HG1 VAL 59 6.171 2.196 0.029 617 2HG1 VAL 59 3HG1 VAL 59 7.204 1.807 1.426 618 3HG1 VAL 59 1HG1 VAL 59 7.938 2.106 -0.167 619 1HG2 VAL 59 2HG2 VAL 59 5.906 -1.557 0.691 620 2HG2 VAL 59 3HG2 VAL 59 6.443 -0.476 1.998 621 3HG2 VAL 59 1HG2 VAL 59 5.052 -0.023 0.984 622 MG1 VAL 59 QG1 VAL 59 7.105 2.036 0.429 623 MG2 VAL 59 QG2 VAL 59 5.800 -0.686 1.224 624 QG VAL 59 QQG VAL 59 6.452 0.675 0.827 625 H GLN 60 H GLN 60 8.647 0.216 -2.884 626 HA GLN 60 HA GLN 60 8.437 2.978 -3.334 627 1HB GLN 60 1HB GLN 60 10.518 1.351 -3.381 628 2HB GLN 60 2HB GLN 60 10.089 1.122 -5.064 629 1HG GLN 60 1HG GLN 60 11.733 2.943 -4.867 630 2HG GLN 60 2HG GLN 60 10.207 3.583 -5.444 631 1HE2 GLN 60 1HE2 GLN 60 10.682 5.639 -4.726 632 2HE2 GLN 60 2HE2 GLN 60 10.634 6.102 -3.057 633 QB GLN 60 QB GLN 60 10.303 1.236 -4.223 634 QG GLN 60 QG GLN 60 10.970 3.263 -5.156 635 QE GLN 60 QE2 GLN 60 10.658 5.871 -3.891 636 H ALA 61 H ALA 61 8.360 0.232 -5.730 637 HA ALA 61 HA ALA 61 7.481 1.593 -7.891 638 1HB ALA 61 1HB ALA 61 6.119 -0.793 -8.106 639 2HB ALA 61 3HB ALA 61 7.358 -1.185 -6.889 640 3HB ALA 61 2HB ALA 61 7.843 -0.565 -8.486 641 MB ALA 61 QB ALA 61 7.107 -0.848 -7.827 642 H VAL 62 H VAL 62 5.605 0.562 -5.023 643 HA VAL 62 HA VAL 62 3.092 1.229 -6.198 644 HB VAL 62 HB VAL 62 4.000 0.655 -3.373 645 1HG1 VAL 62 1HG1 VAL 62 1.585 1.909 -4.225 646 2HG1 VAL 62 2HG1 VAL 62 1.187 0.253 -3.710 647 3HG1 VAL 62 3HG1 VAL 62 2.033 1.353 -2.594 648 1HG2 VAL 62 2HG2 VAL 62 3.973 -1.125 -5.309 649 2HG2 VAL 62 3HG2 VAL 62 3.332 -1.535 -3.699 650 3HG2 VAL 62 1HG2 VAL 62 2.216 -1.114 -5.022 651 MG1 VAL 62 QG1 VAL 62 1.601 1.172 -3.510 652 MG2 VAL 62 QG2 VAL 62 3.174 -1.258 -4.677 653 QG VAL 62 QQG VAL 62 2.388 -0.043 -4.093 654 H LYS 63 H LYS 63 5.480 2.823 -4.022 655 HA LYS 63 HA LYS 63 3.907 5.040 -3.404 656 1HB LYS 63 1HB LYS 63 5.701 4.891 -2.010 657 2HB LYS 63 2HB LYS 63 6.780 4.299 -3.256 658 1HG LYS 63 1HG LYS 63 7.125 6.497 -4.164 659 2HG LYS 63 2HG LYS 63 5.743 7.158 -3.314 660 1HD LYS 63 1HD LYS 63 8.016 5.956 -1.715 661 2HD LYS 63 2HD LYS 63 8.209 7.560 -2.396 662 1HE LYS 63 1HE LYS 63 5.647 7.662 -1.252 663 2HE LYS 63 2HE LYS 63 6.548 6.679 -0.115 664 1HZ LYS 63 1HZ LYS 63 7.728 9.144 -1.128 665 2HZ LYS 63 2HZ LYS 63 6.625 9.212 0.075 666 3HZ LYS 63 3HZ LYS 63 8.011 8.374 0.284 667 QB LYS 63 QB LYS 63 6.241 4.595 -2.633 668 QD LYS 63 QD LYS 63 8.113 6.758 -2.055 669 QG LYS 63 QG LYS 63 6.434 6.828 -3.739 670 QE LYS 63 QE LYS 63 6.098 7.170 -0.684 671 QZ LYS 63 QZ LYS 63 7.455 8.910 -0.256 672 H VAL 64 H VAL 64 5.866 4.188 -6.256 673 HA VAL 64 HA VAL 64 5.771 6.834 -7.334 674 HB VAL 64 HB VAL 64 6.641 4.122 -8.295 675 1HG1 VAL 64 1HG1 VAL 64 5.893 6.451 -9.946 676 2HG1 VAL 64 2HG1 VAL 64 7.519 5.805 -10.272 677 3HG1 VAL 64 3HG1 VAL 64 6.096 4.741 -10.394 678 1HG2 VAL 64 3HG2 VAL 64 7.955 6.679 -7.443 679 2HG2 VAL 64 1HG2 VAL 64 8.354 4.995 -7.029 680 3HG2 VAL 64 2HG2 VAL 64 8.781 5.644 -8.630 681 MG1 VAL 64 QG1 VAL 64 6.503 5.666 -10.204 682 MG2 VAL 64 QG2 VAL 64 8.364 5.773 -7.701 683 QG VAL 64 QQG VAL 64 7.433 5.719 -8.952 684 H PHE 65 H PHE 65 3.816 3.854 -7.484 685 HA PHE 65 HA PHE 65 2.333 4.531 -9.754 686 1HB PHE 65 1HB PHE 65 2.554 2.303 -8.439 687 2HB PHE 65 2HB PHE 65 1.497 2.995 -7.224 688 HD1 PHE 65 HD1 PHE 65 1.626 2.153 -10.845 689 HD2 PHE 65 HD2 PHE 65 -0.816 2.792 -7.434 690 HE1 PHE 65 HE1 PHE 65 -0.377 1.351 -12.129 691 HE2 PHE 65 HE2 PHE 65 -2.819 1.991 -8.717 692 HZ PHE 65 HZ PHE 65 -2.576 1.280 -11.049 693 QB PHE 65 QB PHE 65 2.025 2.649 -7.831 694 QD PHE 65 QD PHE 65 0.405 2.473 -9.139 695 QE PHE 65 QE PHE 65 -1.598 1.671 -10.423 696 QR PHE 65 QR PHE 65 -0.993 1.914 -10.035 697 H LEU 66 H LEU 66 1.554 4.892 -6.217 698 HA LEU 66 HA LEU 66 -0.891 6.059 -6.462 699 1HB LEU 66 1HB LEU 66 1.327 6.407 -4.462 700 2HB LEU 66 2HB LEU 66 -0.193 7.262 -4.294 701 HG LEU 66 HG LEU 66 -0.429 4.340 -4.730 702 1HD1 LEU 66 3HD1 LEU 66 1.600 4.588 -3.251 703 2HD1 LEU 66 1HD1 LEU 66 0.530 5.338 -2.042 704 3HD1 LEU 66 2HD1 LEU 66 0.247 3.659 -2.560 705 1HD2 LEU 66 3HD2 LEU 66 -1.724 6.338 -2.858 706 2HD2 LEU 66 1HD2 LEU 66 -2.411 5.636 -4.343 707 3HD2 LEU 66 2HD2 LEU 66 -2.124 4.604 -2.922 708 MD1 LEU 66 QD1 LEU 66 0.792 4.529 -2.618 709 MD2 LEU 66 QD2 LEU 66 -2.086 5.526 -3.374 710 QB LEU 66 QB LEU 66 0.567 6.834 -4.378 711 QD LEU 66 QQD LEU 66 -0.647 5.027 -2.996 712 H GLU 67 H GLU 67 2.307 7.784 -6.329 713 HA GLU 67 HA GLU 67 1.261 10.289 -6.711 714 1HB GLU 67 1HB GLU 67 3.935 8.994 -7.074 715 2HB GLU 67 2HB GLU 67 3.712 10.539 -7.871 716 1HG GLU 67 1HG GLU 67 2.630 10.620 -5.149 717 2HG GLU 67 2HG GLU 67 4.302 10.097 -5.130 718 QB GLU 67 QB GLU 67 3.823 9.766 -7.473 719 QG GLU 67 QG GLU 67 3.466 10.358 -5.140 720 H SER 68 H SER 68 2.328 7.808 -9.107 721 HA SER 68 HA SER 68 2.155 9.357 -11.349 722 1HB SER 68 1HB SER 68 2.327 7.359 -12.540 723 2HB SER 68 2HB SER 68 2.929 6.867 -10.970 724 HG SER 68 HG SER 68 0.499 6.197 -12.272 725 QB SER 68 QB SER 68 2.628 7.113 -11.755 726 H GLN 69 H GLN 69 -0.391 7.515 -9.574 727 HA GLN 69 HA GLN 69 -2.362 8.237 -11.507 728 1HB GLN 69 1HB GLN 69 -3.926 7.057 -9.954 729 2HB GLN 69 2HB GLN 69 -2.539 6.076 -10.384 730 1HG GLN 69 1HG GLN 69 -1.438 6.572 -8.252 731 2HG GLN 69 2HG GLN 69 -2.663 7.757 -7.839 732 1HE2 GLN 69 1HE2 GLN 69 -1.659 4.606 -7.505 733 2HE2 GLN 69 2HE2 GLN 69 -3.108 3.867 -6.912 734 QB GLN 69 QB GLN 69 -3.232 6.567 -10.169 735 QG GLN 69 QG GLN 69 -2.051 7.165 -8.046 736 QE GLN 69 QE2 GLN 69 -2.384 4.236 -7.208 737 H GLY 70 H GLY 70 -0.736 10.195 -9.597 738 1HA GLY 70 2HA GLY 70 -2.474 12.289 -9.525 739 2HA GLY 70 1HA GLY 70 -1.129 12.079 -8.422 740 QA GLY 70 QA GLY 70 -1.801 12.184 -8.974 741 H ILE 71 H ILE 71 -1.787 9.984 -6.791 742 HA ILE 71 HA ILE 71 -4.421 10.720 -5.724 743 HB ILE 71 HB ILE 71 -4.121 8.385 -6.526 744 1HG1 ILE 71 1HG1 ILE 71 -4.553 8.342 -3.550 745 2HG1 ILE 71 2HG1 ILE 71 -5.644 9.248 -4.578 746 1HG2 ILE 71 3HG2 ILE 71 -1.652 8.485 -5.402 747 2HG2 ILE 71 1HG2 ILE 71 -2.560 7.615 -4.141 748 3HG2 ILE 71 2HG2 ILE 71 -2.518 6.983 -5.803 749 1HD1 ILE 71 2HD1 ILE 71 -4.991 6.476 -5.502 750 2HD1 ILE 71 3HD1 ILE 71 -5.982 6.609 -4.030 751 3HD1 ILE 71 1HD1 ILE 71 -6.539 7.356 -5.547 752 MG ILE 71 QG2 ILE 71 -2.243 7.694 -5.115 753 MD ILE 71 QD1 ILE 71 -5.838 6.814 -5.027 754 QG ILE 71 QG1 ILE 71 -5.099 8.795 -4.064 755 H ALA 72 H ALA 72 -4.449 10.242 -3.188 756 HA ALA 72 HA ALA 72 -1.977 11.396 -2.092 757 1HB ALA 72 1HB ALA 72 -4.266 12.801 -2.348 758 2HB ALA 72 2HB ALA 72 -4.605 11.992 -0.800 759 3HB ALA 72 3HB ALA 72 -3.157 13.014 -0.973 760 MB ALA 72 QB ALA 72 -4.009 12.603 -1.373 761 H TYR 73 H TYR 73 -1.019 10.023 -0.685 762 HA TYR 73 HA TYR 73 -2.781 8.296 0.905 763 1HB TYR 73 1HB TYR 73 -0.770 6.623 0.537 764 2HB TYR 73 2HB TYR 73 -1.869 6.848 -0.809 765 HD1 TYR 73 HD1 TYR 73 1.514 6.769 0.133 766 HD2 TYR 73 HD2 TYR 73 -1.182 8.823 -2.478 767 HE1 TYR 73 HE1 TYR 73 3.462 7.451 -1.353 768 HE2 TYR 73 HE2 TYR 73 0.775 9.498 -3.955 769 HH TYR 73 HH TYR 73 3.716 8.049 -3.823 770 QB TYR 73 QB TYR 73 -1.320 6.735 -0.136 771 QD TYR 73 QD TYR 73 0.166 7.796 -1.173 772 QE TYR 73 QE TYR 73 2.118 8.475 -2.654 773 QR TYR 73 QR TYR 73 1.142 8.135 -1.913 774 H SER 74 H SER 74 -0.839 6.992 2.410 775 HA SER 74 HA SER 74 1.121 8.782 3.325 776 1HB SER 74 1HB SER 74 -1.531 8.730 4.716 777 2HB SER 74 2HB SER 74 -0.116 8.688 5.749 778 HG SER 74 HG SER 74 -1.187 10.808 4.369 779 QB SER 74 QB SER 74 -0.824 8.709 5.232 780 H ILE 75 H ILE 75 2.124 7.839 5.485 781 HA ILE 75 HA ILE 75 2.060 4.932 5.186 782 HB ILE 75 HB ILE 75 4.096 6.830 6.349 783 1HG1 ILE 75 1HG1 ILE 75 4.733 4.926 4.158 784 2HG1 ILE 75 2HG1 ILE 75 3.665 6.252 3.744 785 1HG2 ILE 75 2HG2 ILE 75 3.899 3.832 6.495 786 2HG2 ILE 75 3HG2 ILE 75 5.484 4.644 6.461 787 3HG2 ILE 75 1HG2 ILE 75 4.326 5.005 7.764 788 1HD1 ILE 75 3HD1 ILE 75 5.998 7.059 5.398 789 2HD1 ILE 75 1HD1 ILE 75 6.414 6.423 3.789 790 3HD1 ILE 75 2HD1 ILE 75 5.320 7.820 3.939 791 MG ILE 75 QG2 ILE 75 4.570 4.494 6.907 792 MD ILE 75 QD1 ILE 75 5.911 7.100 4.375 793 QG ILE 75 QG1 ILE 75 4.199 5.589 3.951 794 H MET 76 H MET 76 1.220 3.628 6.742 795 HA MET 76 HA MET 76 0.144 4.984 9.052 796 1HB MET 76 1HB MET 76 -0.993 3.178 7.405 797 2HB MET 76 2HB MET 76 -0.200 2.023 8.460 798 1HG MET 76 1HG MET 76 -2.188 4.181 9.318 799 2HG MET 76 2HG MET 76 -2.492 2.456 9.267 800 1HE MET 76 2HE MET 76 -3.375 3.541 11.369 801 2HE MET 76 3HE MET 76 -2.726 2.611 12.739 802 3HE MET 76 1HE MET 76 -2.367 4.348 12.594 803 QB MET 76 QB MET 76 -0.596 2.601 7.933 804 QG MET 76 QG MET 76 -2.340 3.319 9.293 805 ME MET 76 QE MET 76 -2.823 3.500 12.234 806 H ILE 77 H ILE 77 1.726 1.749 8.502 807 HA ILE 77 HA ILE 77 3.174 2.213 11.018 808 HB ILE 77 HB ILE 77 1.480 0.544 11.336 809 1HG1 ILE 77 1HG1 ILE 77 2.920 -1.393 11.980 810 2HG1 ILE 77 2HG1 ILE 77 4.260 -0.650 11.127 811 1HG2 ILE 77 2HG2 ILE 77 2.249 -0.284 8.660 812 2HG2 ILE 77 3HG2 ILE 77 2.211 -1.656 9.793 813 3HG2 ILE 77 1HG2 ILE 77 0.771 -0.631 9.587 814 1HD1 ILE 77 2HD1 ILE 77 2.724 0.616 13.444 815 2HD1 ILE 77 3HD1 ILE 77 4.345 -0.110 13.542 816 3HD1 ILE 77 1HD1 ILE 77 4.088 1.365 12.580 817 MG ILE 77 QG2 ILE 77 1.744 -0.857 9.347 818 MD ILE 77 QD1 ILE 77 3.719 0.624 13.188 819 QG ILE 77 QG1 ILE 77 3.590 -1.021 11.554 820 H GLU 78 H GLU 78 5.369 1.453 11.115 821 HA GLU 78 HA GLU 78 6.453 0.840 8.480 822 1HB GLU 78 1HB GLU 78 6.807 3.275 9.496 823 2HB GLU 78 2HB GLU 78 8.043 2.483 10.454 824 1HG GLU 78 1HG GLU 78 8.711 1.457 8.038 825 2HG GLU 78 2HG GLU 78 7.934 2.926 7.479 826 QB GLU 78 QB GLU 78 7.425 2.879 9.975 827 QG GLU 78 QG GLU 78 8.323 2.191 7.758 828 H ASP 79 H ASP 79 9.205 0.963 9.966 829 HA ASP 79 HA ASP 79 9.109 -1.790 10.716 830 1HB ASP 79 1HB ASP 79 11.220 0.287 10.206 831 2HB ASP 79 2HB ASP 79 11.668 -1.027 11.276 832 QB ASP 79 QB ASP 79 11.444 -0.370 10.741 833 H VAL 80 H VAL 80 7.650 -1.289 12.665 834 HA VAL 80 HA VAL 80 8.152 0.353 14.724 835 HB VAL 80 HB VAL 80 6.310 -1.378 14.345 836 1HG1 VAL 80 1HG1 VAL 80 8.150 -3.263 14.443 837 2HG1 VAL 80 2HG1 VAL 80 7.859 -3.162 16.196 838 3HG1 VAL 80 3HG1 VAL 80 6.519 -3.551 15.093 839 1HG2 VAL 80 2HG2 VAL 80 6.988 0.123 16.503 840 2HG2 VAL 80 3HG2 VAL 80 5.536 -0.903 16.419 841 3HG2 VAL 80 1HG2 VAL 80 7.004 -1.504 17.224 842 MG1 VAL 80 QG1 VAL 80 7.509 -3.325 15.244 843 MG2 VAL 80 QG2 VAL 80 6.509 -0.761 16.715 844 QG VAL 80 QQG VAL 80 7.009 -2.043 15.980 845 H GLN 81 H GLN 81 10.114 0.859 15.579 846 HA GLN 81 HA GLN 81 12.318 -0.682 15.562 847 1HB GLN 81 1HB GLN 81 12.175 1.747 16.199 848 2HB GLN 81 2HB GLN 81 11.540 1.280 17.765 849 1HG GLN 81 1HG GLN 81 13.601 0.081 18.324 850 2HG GLN 81 2HG GLN 81 14.221 0.285 16.697 851 1HE2 GLN 81 1HE2 GLN 81 14.921 1.206 19.561 852 2HE2 GLN 81 2HE2 GLN 81 15.324 2.882 19.388 853 QB GLN 81 QB GLN 81 11.858 1.513 16.982 854 QG GLN 81 QG GLN 81 13.911 0.183 17.510 855 QE GLN 81 QE2 GLN 81 15.122 2.044 19.475 No H/Q in entry = 855 Start of MODEL 10 1 H MET 1 H MET 1 20.216 -23.742 24.112 2 HA MET 1 HA MET 1 20.395 -25.689 22.572 3 1HB MET 1 1HB MET 1 17.418 -25.016 22.539 4 2HB MET 1 2HB MET 1 18.158 -25.775 21.143 5 1HG MET 1 1HG MET 1 18.654 -27.771 22.313 6 2HG MET 1 2HG MET 1 18.633 -26.983 23.879 7 1HE MET 1 3HE MET 1 17.522 -28.955 24.610 8 2HE MET 1 1HE MET 1 16.406 -27.859 25.461 9 3HE MET 1 2HE MET 1 15.768 -29.248 24.547 10 QB MET 1 QB MET 1 17.788 -25.395 21.841 11 QG MET 1 QG MET 1 18.644 -27.377 23.096 12 ME MET 1 QE MET 1 16.565 -28.687 24.873 13 H ARG 2 H ARG 2 17.848 -23.535 21.264 14 HA ARG 2 HA ARG 2 19.926 -21.864 20.141 15 1HB ARG 2 1HB ARG 2 17.720 -23.260 18.545 16 2HB ARG 2 2HB ARG 2 18.692 -21.954 17.900 17 1HG ARG 2 1HG ARG 2 20.222 -24.206 19.143 18 2HG ARG 2 2HG ARG 2 19.358 -24.603 17.671 19 1HD ARG 2 1HD ARG 2 20.893 -23.510 16.399 20 2HD ARG 2 2HD ARG 2 20.689 -22.038 17.328 21 HE ARG 2 HE ARG 2 22.296 -24.084 18.694 22 1HH1 ARG 2 2HH1 ARG 2 24.498 -23.610 19.076 23 2HH1 ARG 2 1HH1 ARG 2 25.251 -22.280 18.261 24 1HH2 ARG 2 2HH2 ARG 2 22.355 -21.340 16.491 25 2HH2 ARG 2 1HH2 ARG 2 24.025 -20.981 16.781 26 QB ARG 2 QB ARG 2 18.206 -22.607 18.222 27 QG ARG 2 QG ARG 2 19.790 -24.405 18.407 28 QD ARG 2 QD ARG 2 20.791 -22.774 16.863 29 QH1 ARG 2 QH1 ARG 2 24.875 -22.945 18.668 30 QH2 ARG 2 QH2 ARG 2 23.190 -21.160 16.636 31 H SER 3 H SER 3 18.764 -19.906 18.903 32 HA SER 3 HA SER 3 16.139 -19.331 19.757 33 1HB SER 3 1HB SER 3 17.633 -18.890 21.834 34 2HB SER 3 2HB SER 3 18.282 -17.529 20.941 35 HG SER 3 HG SER 3 15.638 -17.292 20.699 36 QB SER 3 QB SER 3 17.957 -18.209 21.388 37 H LEU 4 H LEU 4 15.436 -18.469 17.835 38 HA LEU 4 HA LEU 4 17.113 -16.373 16.653 39 1HB LEU 4 1HB LEU 4 15.710 -18.624 15.208 40 2HB LEU 4 2HB LEU 4 16.390 -17.214 14.421 41 HG LEU 4 HG LEU 4 18.299 -18.610 16.169 42 1HD1 LEU 4 1HD1 LEU 4 16.737 -20.132 14.173 43 2HD1 LEU 4 2HD1 LEU 4 18.505 -20.317 14.077 44 3HD1 LEU 4 3HD1 LEU 4 17.652 -20.689 15.595 45 1HD2 LEU 4 2HD2 LEU 4 18.437 -16.795 14.132 46 2HD2 LEU 4 3HD2 LEU 4 19.796 -17.782 14.722 47 3HD2 LEU 4 1HD2 LEU 4 18.867 -18.308 13.299 48 MD1 LEU 4 QD1 LEU 4 17.631 -20.379 14.615 49 MD2 LEU 4 QD2 LEU 4 19.034 -17.628 14.051 50 QB LEU 4 QB LEU 4 16.050 -17.919 14.815 51 QD LEU 4 QQD LEU 4 18.333 -19.004 14.333 52 H GLU 5 H GLU 5 15.856 -14.817 15.310 53 HA GLU 5 HA GLU 5 13.126 -14.674 16.333 54 1HB GLU 5 1HB GLU 5 14.991 -12.893 16.977 55 2HB GLU 5 2HB GLU 5 14.642 -12.236 15.391 56 1HG GLU 5 1HG GLU 5 12.688 -11.322 16.108 57 2HG GLU 5 2HG GLU 5 12.150 -12.846 16.785 58 QB GLU 5 QB GLU 5 14.817 -12.564 16.184 59 QG GLU 5 QG GLU 5 12.419 -12.084 16.446 60 H THR 6 H THR 6 11.526 -13.593 14.856 61 HA THR 6 HA THR 6 12.326 -13.598 12.046 62 HB THR 6 HB THR 6 10.632 -15.190 11.433 63 HG1 THR 6 HG1 THR 6 9.844 -14.699 14.215 64 1HG2 THR 6 2HG2 THR 6 12.629 -16.098 13.010 65 2HG2 THR 6 3HG2 THR 6 11.274 -16.398 14.125 66 3HG2 THR 6 1HG2 THR 6 11.289 -17.161 12.516 67 MG THR 6 QG2 THR 6 11.731 -16.553 13.217 68 H PHE 7 H PHE 7 10.873 -12.415 10.650 69 HA PHE 7 HA PHE 7 8.664 -11.044 11.763 70 1HB PHE 7 1HB PHE 7 11.434 -9.808 11.582 71 2HB PHE 7 2HB PHE 7 10.079 -8.782 11.155 72 HD1 PHE 7 HD1 PHE 7 12.141 -9.782 13.773 73 HD2 PHE 7 HD2 PHE 7 8.084 -8.854 12.940 74 HE1 PHE 7 HE1 PHE 7 11.757 -9.280 16.202 75 HE2 PHE 7 HE2 PHE 7 7.701 -8.352 15.370 76 HZ PHE 7 HZ PHE 7 9.541 -8.571 16.972 77 QB PHE 7 QB PHE 7 10.756 -9.295 11.369 78 QD PHE 7 QD PHE 7 10.112 -9.318 13.357 79 QE PHE 7 QE PHE 7 9.729 -8.816 15.786 80 QR PHE 7 QR PHE 7 9.845 -8.968 15.051 81 H VAL 8 H VAL 8 8.315 -8.933 10.097 82 HA VAL 8 HA VAL 8 8.699 -10.103 7.428 83 HB VAL 8 HB VAL 8 6.408 -8.305 8.132 84 1HG1 VAL 8 1HG1 VAL 8 7.207 -10.085 5.917 85 2HG1 VAL 8 2HG1 VAL 8 5.499 -10.214 6.396 86 3HG1 VAL 8 3HG1 VAL 8 6.171 -8.638 5.914 87 1HG2 VAL 8 1HG2 VAL 8 6.765 -11.160 8.961 88 2HG2 VAL 8 2HG2 VAL 8 5.924 -9.825 9.785 89 3HG2 VAL 8 3HG2 VAL 8 5.162 -10.633 8.395 90 MG1 VAL 8 QG1 VAL 8 6.292 -9.646 6.076 91 MG2 VAL 8 QG2 VAL 8 5.951 -10.539 9.047 92 QG VAL 8 QQG VAL 8 6.121 -10.093 7.562 93 H GLY 9 H GLY 9 8.117 -8.102 5.759 94 1HA GLY 9 2HA GLY 9 10.116 -6.575 5.263 95 2HA GLY 9 1HA GLY 9 9.584 -5.727 6.701 96 QA GLY 9 QA GLY 9 9.850 -6.151 5.982 97 H ASP 10 H ASP 10 6.665 -6.435 6.125 98 HA ASP 10 HA ASP 10 6.180 -5.102 3.646 99 1HB ASP 10 1HB ASP 10 4.561 -6.505 5.751 100 2HB ASP 10 2HB ASP 10 3.717 -5.295 4.804 101 QB ASP 10 QB ASP 10 4.139 -5.900 5.278 102 H GLN 11 H GLN 11 4.002 -3.469 4.051 103 HA GLN 11 HA GLN 11 4.134 -1.917 6.367 104 1HB GLN 11 1HB GLN 11 6.299 -1.239 5.147 105 2HB GLN 11 2HB GLN 11 5.279 -0.514 3.920 106 1HG GLN 11 1HG GLN 11 4.380 0.309 6.573 107 2HG GLN 11 2HG GLN 11 6.092 0.640 6.395 108 1HE2 GLN 11 1HE2 GLN 11 6.332 1.140 3.720 109 2HE2 GLN 11 2HE2 GLN 11 5.482 2.583 3.281 110 QB GLN 11 QB GLN 11 5.789 -0.876 4.533 111 QG GLN 11 QG GLN 11 5.236 0.474 6.484 112 QE GLN 11 QE2 GLN 11 5.907 1.862 3.500 113 H VAL 12 H VAL 12 2.145 -0.948 6.574 114 HA VAL 12 HA VAL 12 0.397 -1.076 4.275 115 HB VAL 12 HB VAL 12 -0.457 0.032 6.901 116 1HG1 VAL 12 1HG1 VAL 12 -1.644 -1.907 4.891 117 2HG1 VAL 12 2HG1 VAL 12 -2.423 -1.450 6.425 118 3HG1 VAL 12 3HG1 VAL 12 -2.120 -0.217 5.178 119 1HG2 VAL 12 2HG2 VAL 12 0.670 -2.716 6.509 120 2HG2 VAL 12 3HG2 VAL 12 0.735 -1.643 7.928 121 3HG2 VAL 12 1HG2 VAL 12 -0.765 -2.521 7.545 122 MG1 VAL 12 QG1 VAL 12 -2.062 -1.191 5.498 123 MG2 VAL 12 QG2 VAL 12 0.213 -2.293 7.327 124 QG VAL 12 QQG VAL 12 -0.924 -1.742 6.413 125 H LEU 13 H LEU 13 -1.128 0.882 3.931 126 HA LEU 13 HA LEU 13 0.019 3.426 4.599 127 1HB LEU 13 1HB LEU 13 0.691 4.146 2.517 128 2HB LEU 13 2HB LEU 13 1.343 2.522 2.620 129 HG LEU 13 HG LEU 13 -1.219 2.289 1.417 130 1HD1 LEU 13 2HD1 LEU 13 -0.981 4.755 0.996 131 2HD1 LEU 13 3HD1 LEU 13 0.440 4.380 -0.008 132 3HD1 LEU 13 1HD1 LEU 13 -1.163 3.751 -0.463 133 1HD2 LEU 13 3HD2 LEU 13 1.592 1.688 0.825 134 2HD2 LEU 13 1HD2 LEU 13 0.123 0.718 0.565 135 3HD2 LEU 13 2HD2 LEU 13 0.589 1.961 -0.619 136 MD1 LEU 13 QD1 LEU 13 -0.568 4.295 0.175 137 MD2 LEU 13 QD2 LEU 13 0.768 1.456 0.257 138 QB LEU 13 QB LEU 13 1.017 3.334 2.569 139 QD LEU 13 QQD LEU 13 0.100 2.876 0.216 140 H GLU 14 H GLU 14 -1.499 5.119 4.375 141 HA GLU 14 HA GLU 14 -4.172 4.106 3.888 142 1HB GLU 14 1HB GLU 14 -4.764 6.417 4.975 143 2HB GLU 14 2HB GLU 14 -4.151 5.130 5.995 144 1HG GLU 14 1HG GLU 14 -2.073 6.151 6.291 145 2HG GLU 14 2HG GLU 14 -2.115 6.949 4.730 146 QB GLU 14 QB GLU 14 -4.457 5.774 5.485 147 QG GLU 14 QG GLU 14 -2.094 6.550 5.510 148 H ILE 15 H ILE 15 -5.313 4.680 2.078 149 HA ILE 15 HA ILE 15 -4.245 6.943 0.538 150 HB ILE 15 HB ILE 15 -5.511 4.388 -0.458 151 1HG1 ILE 15 1HG1 ILE 15 -2.882 4.905 -1.486 152 2HG1 ILE 15 2HG1 ILE 15 -2.823 4.991 0.263 153 1HG2 ILE 15 1HG2 ILE 15 -4.748 6.948 -1.834 154 2HG2 ILE 15 2HG2 ILE 15 -4.675 5.396 -2.702 155 3HG2 ILE 15 3HG2 ILE 15 -6.216 5.956 -2.008 156 1HD1 ILE 15 3HD1 ILE 15 -4.445 2.737 -0.829 157 2HD1 ILE 15 1HD1 ILE 15 -2.694 2.650 -1.142 158 3HD1 ILE 15 2HD1 ILE 15 -3.296 2.759 0.530 159 MG ILE 15 QG2 ILE 15 -5.213 6.100 -2.181 160 MD ILE 15 QD1 ILE 15 -3.478 2.715 -0.480 161 QG ILE 15 QG1 ILE 15 -2.852 4.948 -0.612 162 H VAL 16 H VAL 16 -5.760 8.380 -0.426 163 HA VAL 16 HA VAL 16 -8.541 7.953 0.379 164 HB VAL 16 HB VAL 16 -6.993 10.527 0.748 165 1HG1 VAL 16 3HG1 VAL 16 -9.869 9.745 1.290 166 2HG1 VAL 16 1HG1 VAL 16 -9.092 11.153 2.053 167 3HG1 VAL 16 2HG1 VAL 16 -9.253 11.077 0.282 168 1HG2 VAL 16 1HG2 VAL 16 -7.237 8.198 2.455 169 2HG2 VAL 16 2HG2 VAL 16 -6.280 9.681 2.687 170 3HG2 VAL 16 3HG2 VAL 16 -7.976 9.624 3.225 171 MG1 VAL 16 QG1 VAL 16 -9.405 10.658 1.208 172 MG2 VAL 16 QG2 VAL 16 -7.164 9.168 2.789 173 QG VAL 16 QQG VAL 16 -8.284 9.913 1.998 174 HA PRO 17 HA PRO 17 -8.353 9.017 -3.951 175 1HB PRO 17 1HB PRO 17 -10.346 7.338 -4.772 176 2HB PRO 17 2HB PRO 17 -8.655 6.877 -4.746 177 1HG PRO 17 1HG PRO 17 -10.819 6.090 -2.892 178 2HG PRO 17 2HG PRO 17 -9.259 5.331 -3.144 179 1HD PRO 17 1HD PRO 17 -10.016 7.012 -0.946 180 2HD PRO 17 2HD PRO 17 -8.424 6.350 -1.260 181 QB PRO 17 QB PRO 17 -9.500 7.108 -4.759 182 QG PRO 17 QG PRO 17 -10.039 5.710 -3.018 183 QD PRO 17 QD PRO 17 -9.220 6.681 -1.103 184 H SER 18 H SER 18 -10.357 9.462 -5.585 185 HA SER 18 HA SER 18 -12.590 10.494 -4.241 186 1HB SER 18 1HB SER 18 -10.837 12.237 -3.661 187 2HB SER 18 2HB SER 18 -10.679 12.584 -5.371 188 HG SER 18 HG SER 18 -12.418 13.814 -5.254 189 QB SER 18 QB SER 18 -10.758 12.410 -4.516 190 H ASN 19 H ASN 19 -10.400 10.573 -7.099 191 HA ASN 19 HA ASN 19 -12.696 10.994 -8.801 192 1HB ASN 19 1HB ASN 19 -9.705 11.198 -9.097 193 2HB ASN 19 2HB ASN 19 -10.598 10.763 -10.541 194 1HD2 ASN 19 1HD2 ASN 19 -12.185 12.158 -11.369 195 2HD2 ASN 19 2HD2 ASN 19 -12.200 13.854 -11.016 196 QB ASN 19 QB ASN 19 -10.151 10.981 -9.819 197 QD ASN 19 QD2 ASN 19 -12.193 13.006 -11.193 198 H GLU 20 H GLU 20 -12.910 9.495 -10.770 199 HA GLU 20 HA GLU 20 -12.784 6.824 -9.908 200 1HB GLU 20 1HB GLU 20 -13.735 8.296 -12.336 201 2HB GLU 20 2HB GLU 20 -13.377 6.594 -12.553 202 1HG GLU 20 1HG GLU 20 -15.372 6.077 -11.614 203 2HG GLU 20 2HG GLU 20 -14.819 6.766 -10.100 204 QB GLU 20 QB GLU 20 -13.556 7.445 -12.445 205 QG GLU 20 QG GLU 20 -15.096 6.421 -10.857 206 H GLU 21 H GLU 21 -10.684 8.947 -11.799 207 HA GLU 21 HA GLU 21 -9.305 6.967 -13.178 208 1HB GLU 21 1HB GLU 21 -8.984 9.143 -13.998 209 2HB GLU 21 2HB GLU 21 -8.750 9.829 -12.402 210 1HG GLU 21 1HG GLU 21 -6.600 9.753 -13.599 211 2HG GLU 21 2HG GLU 21 -6.545 8.677 -12.217 212 QB GLU 21 QB GLU 21 -8.867 9.486 -13.200 213 QG GLU 21 QG GLU 21 -6.573 9.215 -12.908 214 H GLN 22 H GLN 22 -8.520 8.718 -10.089 215 HA GLN 22 HA GLN 22 -6.212 7.252 -9.607 216 1HB GLN 22 1HB GLN 22 -8.034 8.637 -7.590 217 2HB GLN 22 2HB GLN 22 -6.364 8.185 -7.317 218 1HG GLN 22 1HG GLN 22 -5.526 9.880 -8.682 219 2HG GLN 22 2HG GLN 22 -6.925 9.877 -9.737 220 1HE2 GLN 22 1HE2 GLN 22 -6.702 12.207 -9.484 221 2HE2 GLN 22 2HE2 GLN 22 -7.470 13.008 -8.154 222 QB GLN 22 QB GLN 22 -7.199 8.411 -7.453 223 QG GLN 22 QG GLN 22 -6.226 9.879 -9.210 224 QE GLN 22 QE2 GLN 22 -7.086 12.607 -8.819 225 H ILE 23 H ILE 23 -9.627 6.533 -9.169 226 HA ILE 23 HA ILE 23 -9.186 4.484 -7.217 227 HB ILE 23 HB ILE 23 -11.503 5.599 -8.725 228 1HG1 ILE 23 1HG1 ILE 23 -10.896 5.077 -5.802 229 2HG1 ILE 23 2HG1 ILE 23 -10.882 6.625 -6.621 230 1HG2 ILE 23 1HG2 ILE 23 -11.251 2.789 -7.865 231 2HG2 ILE 23 2HG2 ILE 23 -12.713 3.628 -7.293 232 3HG2 ILE 23 3HG2 ILE 23 -12.358 3.546 -9.036 233 1HD1 ILE 23 3HD1 ILE 23 -13.429 5.492 -7.194 234 2HD1 ILE 23 1HD1 ILE 23 -13.133 5.199 -5.464 235 3HD1 ILE 23 2HD1 ILE 23 -13.073 6.857 -6.108 236 MG ILE 23 QG2 ILE 23 -12.107 3.321 -8.065 237 MD ILE 23 QD1 ILE 23 -13.211 5.849 -6.255 238 QG ILE 23 QG1 ILE 23 -10.889 5.851 -6.211 239 H LYS 24 H LYS 24 -9.567 4.742 -10.775 240 HA LYS 24 HA LYS 24 -9.724 1.943 -11.174 241 1HB LYS 24 1HB LYS 24 -10.643 3.106 -12.924 242 2HB LYS 24 2HB LYS 24 -9.440 4.379 -12.875 243 1HG LYS 24 1HG LYS 24 -7.726 2.746 -13.760 244 2HG LYS 24 2HG LYS 24 -8.984 1.531 -13.883 245 1HD LYS 24 1HD LYS 24 -9.923 2.490 -15.753 246 2HD LYS 24 2HD LYS 24 -9.671 4.124 -15.172 247 1HE LYS 24 1HE LYS 24 -8.205 3.940 -17.041 248 2HE LYS 24 2HE LYS 24 -7.151 3.756 -15.652 249 1HZ LYS 24 1HZ LYS 24 -8.351 1.385 -16.842 250 2HZ LYS 24 2HZ LYS 24 -7.054 2.070 -17.562 251 3HZ LYS 24 3HZ LYS 24 -6.943 1.528 -16.025 252 QB LYS 24 QB LYS 24 -10.042 3.743 -12.900 253 QD LYS 24 QD LYS 24 -9.797 3.307 -15.463 254 QG LYS 24 QG LYS 24 -8.355 2.138 -13.822 255 QE LYS 24 QE LYS 24 -7.678 3.848 -16.347 256 QZ LYS 24 QZ LYS 24 -7.449 1.661 -16.810 257 H ASN 25 H ASN 25 -7.150 4.175 -10.434 258 HA ASN 25 HA ASN 25 -5.067 2.888 -11.712 259 1HB ASN 25 1HB ASN 25 -4.633 5.060 -10.782 260 2HB ASN 25 2HB ASN 25 -5.275 4.616 -9.213 261 1HD2 ASN 25 1HD2 ASN 25 -4.126 2.929 -8.002 262 2HD2 ASN 25 2HD2 ASN 25 -2.397 2.856 -8.080 263 QB ASN 25 QB ASN 25 -4.954 4.838 -9.997 264 QD ASN 25 QD2 ASN 25 -3.262 2.892 -8.041 265 H LEU 26 H LEU 26 -6.091 2.780 -8.204 266 HA LEU 26 HA LEU 26 -4.421 0.787 -7.370 267 1HB LEU 26 1HB LEU 26 -6.212 2.323 -6.183 268 2HB LEU 26 2HB LEU 26 -7.222 0.899 -6.340 269 HG LEU 26 HG LEU 26 -4.994 -0.231 -5.279 270 1HD1 LEU 26 1HD1 LEU 26 -5.062 2.625 -4.292 271 2HD1 LEU 26 2HD1 LEU 26 -4.309 1.297 -3.378 272 3HD1 LEU 26 3HD1 LEU 26 -3.695 1.725 -4.993 273 1HD2 LEU 26 3HD2 LEU 26 -7.309 1.048 -3.802 274 2HD2 LEU 26 1HD2 LEU 26 -7.226 -0.603 -4.460 275 3HD2 LEU 26 2HD2 LEU 26 -6.180 -0.136 -3.099 276 MD1 LEU 26 QD1 LEU 26 -4.355 1.882 -4.221 277 MD2 LEU 26 QD2 LEU 26 -6.905 0.103 -3.787 278 QB LEU 26 QB LEU 26 -6.717 1.611 -6.261 279 QD LEU 26 QQD LEU 26 -5.630 0.993 -4.004 280 H LEU 27 H LEU 27 -7.863 0.348 -8.468 281 HA LEU 27 HA LEU 27 -8.004 -2.338 -8.396 282 1HB LEU 27 1HB LEU 27 -9.199 -0.232 -10.116 283 2HB LEU 27 2HB LEU 27 -9.381 -1.891 -10.651 284 HG LEU 27 HG LEU 27 -10.030 -1.712 -7.844 285 1HD1 LEU 27 1HD1 LEU 27 -10.539 0.706 -8.963 286 2HD1 LEU 27 2HD1 LEU 27 -12.064 -0.146 -9.304 287 3HD1 LEU 27 3HD1 LEU 27 -11.479 -0.006 -7.629 288 1HD2 LEU 27 1HD2 LEU 27 -11.179 -2.742 -10.364 289 2HD2 LEU 27 2HD2 LEU 27 -11.058 -3.494 -8.755 290 3HD2 LEU 27 3HD2 LEU 27 -12.356 -2.324 -9.097 291 MD1 LEU 27 QD1 LEU 27 -11.361 0.185 -8.632 292 MD2 LEU 27 QD2 LEU 27 -11.531 -2.853 -9.405 293 QB LEU 27 QB LEU 27 -9.290 -1.062 -10.384 294 QD LEU 27 QQD LEU 27 -11.446 -1.334 -9.019 295 H GLN 28 H GLN 28 -6.636 -0.367 -11.116 296 HA GLN 28 HA GLN 28 -6.005 -2.485 -12.728 297 1HB GLN 28 1HB GLN 28 -5.835 0.169 -13.011 298 2HB GLN 28 2HB GLN 28 -4.157 -0.106 -12.589 299 1HG GLN 28 1HG GLN 28 -4.941 -2.113 -14.521 300 2HG GLN 28 2HG GLN 28 -5.444 -0.547 -15.125 301 1HE2 GLN 28 1HE2 GLN 28 -2.826 -2.640 -14.370 302 2HE2 GLN 28 2HE2 GLN 28 -1.518 -1.657 -14.939 303 QB GLN 28 QB GLN 28 -4.996 0.032 -12.800 304 QG GLN 28 QG GLN 28 -5.193 -1.330 -14.823 305 QE GLN 28 QE2 GLN 28 -2.172 -2.149 -14.655 306 H LEU 29 H LEU 29 -4.245 -1.071 -9.940 307 HA LEU 29 HA LEU 29 -1.855 -2.501 -10.372 308 1HB LEU 29 1HB LEU 29 -1.676 -0.588 -9.076 309 2HB LEU 29 2HB LEU 29 -3.077 -0.982 -8.099 310 HG LEU 29 HG LEU 29 -1.637 -2.974 -7.236 311 1HD1 LEU 29 1HD1 LEU 29 0.128 -2.438 -9.061 312 2HD1 LEU 29 2HD1 LEU 29 0.675 -1.180 -7.927 313 3HD1 LEU 29 3HD1 LEU 29 0.671 -2.888 -7.427 314 1HD2 LEU 29 3HD2 LEU 29 -1.351 -0.072 -6.495 315 2HD2 LEU 29 1HD2 LEU 29 -2.247 -1.371 -5.670 316 3HD2 LEU 29 2HD2 LEU 29 -0.468 -1.336 -5.607 317 MD1 LEU 29 QD1 LEU 29 0.491 -2.169 -8.138 318 MD2 LEU 29 QD2 LEU 29 -1.355 -0.926 -5.924 319 QB LEU 29 QB LEU 29 -2.377 -0.785 -8.587 320 QD LEU 29 QQD LEU 29 -0.432 -1.547 -7.031 321 H GLU 30 H GLU 30 -4.472 -2.995 -7.891 322 HA GLU 30 HA GLU 30 -3.596 -5.345 -6.927 323 1HB GLU 30 1HB GLU 30 -5.723 -3.833 -6.399 324 2HB GLU 30 2HB GLU 30 -6.555 -4.995 -7.412 325 1HG GLU 30 1HG GLU 30 -4.837 -6.447 -5.589 326 2HG GLU 30 2HG GLU 30 -5.765 -5.286 -4.662 327 QB GLU 30 QB GLU 30 -6.139 -4.414 -6.906 328 QG GLU 30 QG GLU 30 -5.301 -5.866 -5.125 329 H ALA 31 H ALA 31 -5.478 -4.759 -9.936 330 HA ALA 31 HA ALA 31 -6.221 -7.303 -10.575 331 1HB ALA 31 2HB ALA 31 -6.225 -6.510 -12.889 332 2HB ALA 31 3HB ALA 31 -6.791 -5.213 -11.809 333 3HB ALA 31 1HB ALA 31 -5.133 -5.171 -12.459 334 MB ALA 31 QB ALA 31 -6.050 -5.631 -12.386 335 H GLN 32 H GLN 32 -3.034 -5.686 -11.173 336 HA GLN 32 HA GLN 32 -1.884 -7.741 -12.561 337 1HB GLN 32 1HB GLN 32 -0.810 -5.533 -10.799 338 2HB GLN 32 2HB GLN 32 0.300 -6.741 -11.417 339 1HG GLN 32 1HG GLN 32 -1.609 -5.136 -13.180 340 2HG GLN 32 2HG GLN 32 0.058 -4.684 -12.890 341 1HE2 GLN 32 1HE2 GLN 32 -1.935 -6.135 -15.001 342 2HE2 GLN 32 2HE2 GLN 32 -0.862 -7.221 -15.817 343 QB GLN 32 QB GLN 32 -0.255 -6.137 -11.108 344 QG GLN 32 QG GLN 32 -0.776 -4.910 -13.035 345 QE GLN 32 QE2 GLN 32 -1.398 -6.678 -15.409 346 H GLU 33 H GLU 33 -2.094 -9.856 -11.856 347 HA GLU 33 HA GLU 33 -2.357 -10.804 -9.411 348 1HB GLU 33 1HB GLU 33 -1.031 -11.866 -11.878 349 2HB GLU 33 2HB GLU 33 -0.751 -12.767 -10.400 350 1HG GLU 33 1HG GLU 33 -3.544 -11.949 -11.311 351 2HG GLU 33 2HG GLU 33 -2.805 -13.464 -11.791 352 QB GLU 33 QB GLU 33 -0.891 -12.316 -11.139 353 QG GLU 33 QG GLU 33 -3.175 -12.707 -11.551 354 H HIS 34 H HIS 34 0.889 -10.338 -10.993 355 HA HIS 34 HA HIS 34 2.512 -11.124 -9.021 356 1HB HIS 34 1HB HIS 34 3.049 -8.531 -10.462 357 2HB HIS 34 2HB HIS 34 4.188 -9.768 -9.967 358 HD1 HIS 34 HD1 HIS 34 3.759 -12.215 -11.287 359 HD2 HIS 34 HD2 HIS 34 2.360 -8.699 -13.098 360 HE1 HIS 34 HE1 HIS 34 3.419 -12.768 -13.755 361 HE2 HIS 34 HE2 HIS 34 2.507 -10.586 -14.804 362 QB HIS 34 QB HIS 34 3.619 -9.149 -10.214 363 H LEU 35 H LEU 35 0.717 -8.004 -9.187 364 HA LEU 35 HA LEU 35 1.708 -7.385 -6.506 365 1HB LEU 35 1HB LEU 35 0.659 -5.779 -8.792 366 2HB LEU 35 2HB LEU 35 0.420 -5.172 -7.166 367 HG LEU 35 HG LEU 35 3.126 -5.925 -8.300 368 1HD1 LEU 35 2HD1 LEU 35 1.582 -3.805 -9.150 369 2HD1 LEU 35 3HD1 LEU 35 2.607 -3.075 -7.890 370 3HD1 LEU 35 1HD1 LEU 35 3.355 -3.926 -9.263 371 1HD2 LEU 35 3HD2 LEU 35 2.175 -5.100 -5.659 372 2HD2 LEU 35 1HD2 LEU 35 3.716 -5.845 -6.150 373 3HD2 LEU 35 2HD2 LEU 35 3.497 -4.083 -6.281 374 MD1 LEU 35 QD1 LEU 35 2.515 -3.602 -8.768 375 MD2 LEU 35 QD2 LEU 35 3.130 -5.009 -6.030 376 QB LEU 35 QB LEU 35 0.540 -5.475 -7.979 377 QD LEU 35 QQD LEU 35 2.822 -4.305 -7.399 378 H GLN 36 H GLN 36 0.054 -9.554 -6.471 379 HA GLN 36 HA GLN 36 -2.653 -8.862 -6.324 380 1HB GLN 36 1HB GLN 36 -0.961 -11.229 -5.628 381 2HB GLN 36 2HB GLN 36 -2.508 -11.126 -4.811 382 1HG GLN 36 1HG GLN 36 -2.997 -10.458 -7.553 383 2HG GLN 36 2HG GLN 36 -1.953 -11.866 -7.566 384 1HE2 GLN 36 1HE2 GLN 36 -5.060 -10.581 -6.829 385 2HE2 GLN 36 2HE2 GLN 36 -5.862 -12.051 -6.386 386 QB GLN 36 QB GLN 36 -1.734 -11.178 -5.219 387 QG GLN 36 QG GLN 36 -2.475 -11.162 -7.560 388 QE GLN 36 QE2 GLN 36 -5.461 -11.316 -6.607 389 H LEU 37 H LEU 37 -2.069 -6.783 -5.000 390 HA LEU 37 HA LEU 37 -1.524 -7.223 -2.225 391 1HB LEU 37 1HB LEU 37 -2.581 -4.645 -3.282 392 2HB LEU 37 2HB LEU 37 -1.372 -4.945 -2.049 393 HG LEU 37 HG LEU 37 -0.312 -5.947 -4.487 394 1HD1 LEU 37 3HD1 LEU 37 -1.568 -3.208 -4.782 395 2HD1 LEU 37 1HD1 LEU 37 -0.294 -3.849 -5.847 396 3HD1 LEU 37 2HD1 LEU 37 -1.876 -4.661 -5.764 397 1HD2 LEU 37 3HD2 LEU 37 0.317 -3.566 -2.735 398 2HD2 LEU 37 1HD2 LEU 37 1.109 -5.160 -2.769 399 3HD2 LEU 37 2HD2 LEU 37 1.313 -4.036 -4.134 400 MD1 LEU 37 QD1 LEU 37 -1.246 -3.906 -5.464 401 MD2 LEU 37 QD2 LEU 37 0.913 -4.254 -3.212 402 QB LEU 37 QB LEU 37 -1.977 -4.795 -2.666 403 QD LEU 37 QQD LEU 37 -0.167 -4.080 -4.338 404 H ASP 38 H ASP 38 -2.978 -6.824 -0.455 405 HA ASP 38 HA ASP 38 -5.721 -7.348 -1.255 406 1HB ASP 38 1HB ASP 38 -4.023 -8.040 1.124 407 2HB ASP 38 2HB ASP 38 -5.722 -7.750 1.442 408 QB ASP 38 QB ASP 38 -4.872 -7.895 1.283 409 H PHE 39 H PHE 39 -7.193 -5.658 -0.974 410 HA PHE 39 HA PHE 39 -6.275 -3.316 0.463 411 1HB PHE 39 1HB PHE 39 -8.766 -4.009 -1.208 412 2HB PHE 39 2HB PHE 39 -8.427 -2.402 -0.595 413 HD1 PHE 39 HD1 PHE 39 -8.717 -3.605 -3.524 414 HD2 PHE 39 HD2 PHE 39 -5.447 -2.356 -1.125 415 HE1 PHE 39 HE1 PHE 39 -7.392 -3.094 -5.594 416 HE2 PHE 39 HE2 PHE 39 -4.124 -1.843 -3.194 417 HZ PHE 39 HZ PHE 39 -5.111 -2.219 -5.405 418 QB PHE 39 QB PHE 39 -8.597 -3.205 -0.901 419 QD PHE 39 QD PHE 39 -7.082 -2.980 -2.324 420 QE PHE 39 QE PHE 39 -5.758 -2.468 -4.394 421 QR PHE 39 QR PHE 39 -6.158 -2.623 -3.768 422 H TRP 40 H TRP 40 -6.934 -2.773 2.494 423 HA TRP 40 HA TRP 40 -8.579 -4.555 3.945 424 1HB TRP 40 1HB TRP 40 -7.321 -1.886 4.522 425 2HB TRP 40 2HB TRP 40 -8.434 -2.624 5.657 426 HD1 TRP 40 HD1 TRP 40 -6.557 -5.407 4.129 427 HE1 TRP 40 HE1 TRP 40 -4.551 -6.274 5.608 428 HE3 TRP 40 HE3 TRP 40 -6.477 -1.425 7.290 429 HZ2 TRP 40 HZ2 TRP 40 -3.187 -5.223 7.883 430 HZ3 TRP 40 HZ3 TRP 40 -4.777 -1.424 9.113 431 HH2 TRP 40 HH2 TRP 40 -3.169 -3.236 9.436 432 QB TRP 40 QB TRP 40 -7.877 -2.255 5.089 433 H LYS 41 H LYS 41 -8.994 -1.067 2.972 434 HA LYS 41 HA LYS 41 -11.876 -1.447 3.269 435 1HB LYS 41 1HB LYS 41 -10.010 0.865 3.497 436 2HB LYS 41 2HB LYS 41 -11.608 1.199 2.861 437 1HG LYS 41 1HG LYS 41 -12.605 -0.004 4.855 438 2HG LYS 41 2HG LYS 41 -10.990 -0.203 5.504 439 1HD LYS 41 1HD LYS 41 -11.346 1.803 6.531 440 2HD LYS 41 2HD LYS 41 -11.014 2.511 4.963 441 1HE LYS 41 1HE LYS 41 -13.723 1.762 4.787 442 2HE LYS 41 2HE LYS 41 -13.563 2.345 6.432 443 1HZ LYS 41 3HZ LYS 41 -12.175 4.125 4.914 444 2HZ LYS 41 1HZ LYS 41 -13.511 3.809 4.027 445 3HZ LYS 41 2HZ LYS 41 -13.658 4.353 5.560 446 QB LYS 41 QB LYS 41 -10.809 1.032 3.179 447 QD LYS 41 QD LYS 41 -11.180 2.157 5.747 448 QG LYS 41 QG LYS 41 -11.798 -0.104 5.180 449 QE LYS 41 QE LYS 41 -13.643 2.054 5.610 450 QZ LYS 41 QZ LYS 41 -13.115 4.095 4.834 451 H SER 42 H SER 42 -12.883 -2.149 1.462 452 HA SER 42 HA SER 42 -11.891 -2.291 -0.998 453 1HB SER 42 1HB SER 42 -14.264 -2.278 -1.820 454 2HB SER 42 2HB SER 42 -14.022 -3.300 -0.416 455 HG SER 42 HG SER 42 -14.894 -0.563 -0.152 456 QB SER 42 QB SER 42 -14.143 -2.789 -1.118 457 HA PRO 43 HA PRO 43 -11.571 2.049 -1.902 458 1HB PRO 43 1HB PRO 43 -9.637 1.828 -3.821 459 2HB PRO 43 2HB PRO 43 -9.278 2.007 -2.114 460 1HG PRO 43 1HG PRO 43 -9.100 -0.413 -3.802 461 2HG PRO 43 2HG PRO 43 -8.361 -0.105 -2.243 462 1HD PRO 43 1HD PRO 43 -10.669 -1.728 -2.757 463 2HD PRO 43 2HD PRO 43 -10.000 -1.325 -1.189 464 QB PRO 43 QB PRO 43 -9.458 1.918 -2.968 465 QG PRO 43 QG PRO 43 -8.731 -0.259 -3.023 466 QD PRO 43 QD PRO 43 -10.334 -1.527 -1.973 467 H THR 44 H THR 44 -13.012 -0.401 -3.416 468 HA THR 44 HA THR 44 -13.297 0.111 -6.017 469 HB THR 44 HB THR 44 -15.194 -0.687 -3.806 470 HG1 THR 44 HG1 THR 44 -14.695 -2.613 -4.836 471 1HG2 THR 44 3HG2 THR 44 -16.016 0.374 -6.459 472 2HG2 THR 44 1HG2 THR 44 -16.552 -1.298 -6.162 473 3HG2 THR 44 2HG2 THR 44 -17.017 -0.001 -5.035 474 MG THR 44 QG2 THR 44 -16.528 -0.308 -5.885 475 H THR 45 H THR 45 -15.080 1.966 -3.460 476 HA THR 45 HA THR 45 -15.477 4.050 -5.505 477 HB THR 45 HB THR 45 -17.559 4.554 -4.367 478 HG1 THR 45 HG1 THR 45 -16.640 2.541 -2.444 479 1HG2 THR 45 2HG2 THR 45 -17.117 1.963 -5.393 480 2HG2 THR 45 3HG2 THR 45 -17.835 1.676 -3.790 481 3HG2 THR 45 1HG2 THR 45 -18.702 2.667 -4.988 482 MG THR 45 QG2 THR 45 -17.885 2.102 -4.724 483 HA PRO 46 HA PRO 46 -13.190 6.760 -3.094 484 1HB PRO 46 1HB PRO 46 -14.285 9.180 -3.737 485 2HB PRO 46 2HB PRO 46 -13.145 8.340 -4.769 486 1HG PRO 46 1HG PRO 46 -16.069 8.631 -5.091 487 2HG PRO 46 2HG PRO 46 -14.872 8.181 -6.289 488 1HD PRO 46 1HD PRO 46 -16.695 6.425 -4.941 489 2HD PRO 46 2HD PRO 46 -15.421 5.961 -6.052 490 QB PRO 46 QB PRO 46 -13.715 8.760 -4.253 491 QG PRO 46 QG PRO 46 -15.471 8.406 -5.690 492 QD PRO 46 QD PRO 46 -16.058 6.193 -5.497 493 H GLY 47 H GLY 47 -13.191 8.554 -1.409 494 1HA GLY 47 2HA GLY 47 -15.687 8.624 0.091 495 2HA GLY 47 1HA GLY 47 -14.231 9.554 0.386 496 QA GLY 47 QA GLY 47 -14.959 9.089 0.238 497 H GLU 48 H GLU 48 -13.946 6.077 -0.211 498 HA GLU 48 HA GLU 48 -13.703 5.660 2.658 499 1HB GLU 48 1HB GLU 48 -14.090 3.296 2.217 500 2HB GLU 48 2HB GLU 48 -15.342 4.228 1.420 501 1HG GLU 48 1HG GLU 48 -13.458 4.130 -0.582 502 2HG GLU 48 2HG GLU 48 -13.129 2.612 0.228 503 QB GLU 48 QB GLU 48 -14.716 3.762 1.818 504 QG GLU 48 QG GLU 48 -13.294 3.371 -0.177 505 H THR 49 H THR 49 -11.621 5.893 3.362 506 HA THR 49 HA THR 49 -9.389 5.772 1.684 507 HB THR 49 HB THR 49 -8.198 5.695 3.962 508 HG1 THR 49 HG1 THR 49 -9.914 4.456 5.013 509 1HG2 THR 49 1HG2 THR 49 -9.623 7.803 2.836 510 2HG2 THR 49 2HG2 THR 49 -10.382 7.658 4.439 511 3HG2 THR 49 3HG2 THR 49 -8.628 7.933 4.306 512 MG THR 49 QG2 THR 49 -9.544 7.798 3.860 513 H ALA 50 H ALA 50 -7.591 4.251 1.672 514 HA ALA 50 HA ALA 50 -8.552 1.508 2.125 515 1HB ALA 50 1HB ALA 50 -7.945 0.953 0.017 516 2HB ALA 50 2HB ALA 50 -7.950 2.705 -0.301 517 3HB ALA 50 3HB ALA 50 -6.429 1.879 0.116 518 MB ALA 50 QB ALA 50 -7.441 1.846 -0.056 519 H HIS 51 H HIS 51 -6.872 -0.059 2.733 520 HA HIS 51 HA HIS 51 -4.349 1.067 3.558 521 1HB HIS 51 1HB HIS 51 -5.797 -0.428 5.697 522 2HB HIS 51 2HB HIS 51 -4.541 0.787 5.828 523 HD1 HIS 51 HD1 HIS 51 -8.082 0.354 6.328 524 HD2 HIS 51 HD2 HIS 51 -5.635 3.510 5.044 525 HE1 HIS 51 HE1 HIS 51 -9.451 2.486 6.625 526 HE2 HIS 51 HE2 HIS 51 -7.876 4.397 5.871 527 QB HIS 51 QB HIS 51 -5.169 0.179 5.762 528 H VAL 52 H VAL 52 -3.312 -0.317 2.103 529 HA VAL 52 HA VAL 52 -3.765 -3.180 2.590 530 HB VAL 52 HB VAL 52 -4.306 -2.966 0.399 531 1HG1 VAL 52 2HG1 VAL 52 -2.322 -0.677 0.196 532 2HG1 VAL 52 3HG1 VAL 52 -3.260 -1.321 -1.174 533 3HG1 VAL 52 1HG1 VAL 52 -4.098 -0.572 0.206 534 1HG2 VAL 52 3HG2 VAL 52 -1.278 -3.164 0.327 535 2HG2 VAL 52 1HG2 VAL 52 -2.445 -4.503 0.436 536 3HG2 VAL 52 2HG2 VAL 52 -2.347 -3.528 -1.049 537 MG1 VAL 52 QG1 VAL 52 -3.227 -0.857 -0.257 538 MG2 VAL 52 QG2 VAL 52 -2.023 -3.732 -0.096 539 QG VAL 52 QQG VAL 52 -2.625 -2.294 -0.176 540 H ARG 53 H ARG 53 -1.932 -4.549 2.848 541 HA ARG 53 HA ARG 53 0.297 -3.112 3.920 542 1HB ARG 53 1HB ARG 53 -0.276 -6.114 3.750 543 2HB ARG 53 2HB ARG 53 1.068 -5.410 4.627 544 1HG ARG 53 1HG ARG 53 -0.762 -3.994 5.873 545 2HG ARG 53 2HG ARG 53 -1.901 -5.158 5.225 546 1HD ARG 53 1HD ARG 53 0.397 -6.552 6.373 547 2HD ARG 53 2HD ARG 53 -0.277 -5.443 7.550 548 HE ARG 53 HE ARG 53 -2.340 -6.987 6.177 549 1HH1 ARG 53 2HH1 ARG 53 -3.494 -8.552 7.376 550 2HH1 ARG 53 1HH1 ARG 53 -2.886 -9.094 8.904 551 1HH2 ARG 53 2HH2 ARG 53 -0.022 -7.045 8.824 552 2HH2 ARG 53 1HH2 ARG 53 -0.897 -8.231 9.734 553 QB ARG 53 QB ARG 53 0.396 -5.762 4.188 554 QG ARG 53 QG ARG 53 -1.332 -4.576 5.549 555 QD ARG 53 QD ARG 53 0.060 -5.998 6.962 556 QH1 ARG 53 QH1 ARG 53 -3.190 -8.823 8.140 557 QH2 ARG 53 QH2 ARG 53 -0.459 -7.638 9.279 558 H VAL 54 H VAL 54 1.433 -2.254 2.103 559 HA VAL 54 HA VAL 54 2.144 -4.079 -0.034 560 HB VAL 54 HB VAL 54 1.428 -1.943 -0.726 561 1HG1 VAL 54 1HG1 VAL 54 3.270 -0.893 1.421 562 2HG1 VAL 54 2HG1 VAL 54 2.762 0.136 0.060 563 3HG1 VAL 54 3HG1 VAL 54 1.542 -0.558 1.157 564 1HG2 VAL 54 3HG2 VAL 54 4.389 -2.410 -0.925 565 2HG2 VAL 54 1HG2 VAL 54 3.133 -2.511 -2.181 566 3HG2 VAL 54 2HG2 VAL 54 3.687 -0.922 -1.603 567 MG1 VAL 54 QG1 VAL 54 2.524 -0.439 0.879 568 MG2 VAL 54 QG2 VAL 54 3.737 -1.947 -1.569 569 QG VAL 54 QQG VAL 54 3.131 -1.193 -0.345 570 HA PRO 55 HA PRO 55 6.026 -4.951 1.664 571 1HB PRO 55 1HB PRO 55 7.307 -5.931 -0.542 572 2HB PRO 55 2HB PRO 55 6.204 -6.885 0.429 573 1HG PRO 55 1HG PRO 55 5.761 -5.676 -2.232 574 2HG PRO 55 2HG PRO 55 4.862 -6.959 -1.445 575 1HD PRO 55 1HD PRO 55 4.062 -4.217 -1.714 576 2HD PRO 55 2HD PRO 55 3.219 -5.472 -0.829 577 QB PRO 55 QB PRO 55 6.756 -6.408 -0.056 578 QG PRO 55 QG PRO 55 5.311 -6.317 -1.839 579 QD PRO 55 QD PRO 55 3.640 -4.845 -1.271 580 H PHE 56 H PHE 56 7.833 -3.895 2.276 581 HA PHE 56 HA PHE 56 8.239 -1.352 1.420 582 1HB PHE 56 1HB PHE 56 9.266 -2.927 3.330 583 2HB PHE 56 2HB PHE 56 10.519 -3.255 2.151 584 HD1 PHE 56 HD1 PHE 56 8.732 -0.193 3.353 585 HD2 PHE 56 HD2 PHE 56 12.447 -2.066 2.518 586 HE1 PHE 56 HE1 PHE 56 9.941 1.890 4.059 587 HE2 PHE 56 HE2 PHE 56 13.656 0.017 3.223 588 HZ PHE 56 HZ PHE 56 12.389 1.970 3.985 589 QB PHE 56 QB PHE 56 9.893 -3.091 2.741 590 QD PHE 56 QD PHE 56 10.589 -1.130 2.936 591 QE PHE 56 QE PHE 56 11.799 0.954 3.641 592 QR PHE 56 QR PHE 56 11.433 0.324 3.428 593 H VAL 57 H VAL 57 9.578 -4.398 0.049 594 HA VAL 57 HA VAL 57 11.404 -3.130 -1.677 595 HB VAL 57 HB VAL 57 11.775 -5.376 -1.139 596 1HG1 VAL 57 2HG1 VAL 57 8.864 -5.748 -1.780 597 2HG1 VAL 57 3HG1 VAL 57 9.977 -7.130 -1.921 598 3HG1 VAL 57 1HG1 VAL 57 9.798 -6.289 -0.364 599 1HG2 VAL 57 2HG2 VAL 57 11.824 -4.582 -3.697 600 2HG2 VAL 57 3HG2 VAL 57 12.264 -6.233 -3.198 601 3HG2 VAL 57 1HG2 VAL 57 10.640 -5.903 -3.848 602 MG1 VAL 57 QG1 VAL 57 9.546 -6.389 -1.355 603 MG2 VAL 57 QG2 VAL 57 11.576 -5.573 -3.581 604 QG VAL 57 QQG VAL 57 10.561 -5.981 -2.468 605 H ASN 58 H ASN 58 7.932 -3.486 -1.682 606 HA ASN 58 HA ASN 58 7.932 -2.674 -4.483 607 1HB ASN 58 1HB ASN 58 6.731 -4.879 -3.752 608 2HB ASN 58 2HB ASN 58 5.556 -3.846 -2.961 609 1HD2 ASN 58 1HD2 ASN 58 6.244 -5.497 -5.704 610 2HD2 ASN 58 2HD2 ASN 58 5.267 -4.661 -6.864 611 QB ASN 58 QB ASN 58 6.143 -4.362 -3.356 612 QD ASN 58 QD2 ASN 58 5.756 -5.079 -6.284 613 H VAL 59 H VAL 59 8.053 -1.291 -1.600 614 HA VAL 59 HA VAL 59 5.602 0.182 -1.498 615 HB VAL 59 HB VAL 59 8.145 0.002 0.030 616 1HG1 VAL 59 3HG1 VAL 59 6.320 2.425 0.177 617 2HG1 VAL 59 1HG1 VAL 59 7.615 2.033 1.335 618 3HG1 VAL 59 2HG1 VAL 59 8.018 2.407 -0.358 619 1HG2 VAL 59 2HG2 VAL 59 6.092 -1.299 0.593 620 2HG2 VAL 59 3HG2 VAL 59 6.651 -0.246 1.914 621 3HG2 VAL 59 1HG2 VAL 59 5.254 0.236 0.924 622 MG1 VAL 59 QG1 VAL 59 7.318 2.288 0.385 623 MG2 VAL 59 QG2 VAL 59 5.999 -0.437 1.143 624 QG VAL 59 QQG VAL 59 6.658 0.926 0.764 625 H GLN 60 H GLN 60 8.916 0.623 -2.785 626 HA GLN 60 HA GLN 60 8.653 3.355 -3.259 627 1HB GLN 60 1HB GLN 60 10.761 1.785 -3.262 628 2HB GLN 60 2HB GLN 60 10.373 1.521 -4.950 629 1HG GLN 60 1HG GLN 60 11.540 3.424 -5.384 630 2HG GLN 60 2HG GLN 60 10.172 4.296 -4.721 631 1HE2 GLN 60 1HE2 GLN 60 12.130 5.755 -4.389 632 2HE2 GLN 60 2HE2 GLN 60 12.917 5.677 -2.848 633 QB GLN 60 QB GLN 60 10.567 1.653 -4.106 634 QG GLN 60 QG GLN 60 10.856 3.860 -5.052 635 QE GLN 60 QE2 GLN 60 12.523 5.716 -3.618 636 H ALA 61 H ALA 61 8.715 0.670 -5.720 637 HA ALA 61 HA ALA 61 7.858 2.047 -7.870 638 1HB ALA 61 2HB ALA 61 7.430 -0.032 -8.816 639 2HB ALA 61 3HB ALA 61 8.458 -0.494 -7.438 640 3HB ALA 61 1HB ALA 61 6.690 -0.674 -7.330 641 MB ALA 61 QB ALA 61 7.526 -0.400 -7.861 642 H VAL 62 H VAL 62 5.914 0.913 -5.085 643 HA VAL 62 HA VAL 62 3.434 1.598 -6.325 644 HB VAL 62 HB VAL 62 4.320 0.766 -3.573 645 1HG1 VAL 62 2HG1 VAL 62 1.902 2.232 -4.269 646 2HG1 VAL 62 3HG1 VAL 62 1.528 0.627 -3.596 647 3HG1 VAL 62 1HG1 VAL 62 2.535 1.767 -2.670 648 1HG2 VAL 62 2HG2 VAL 62 3.924 -0.751 -5.737 649 2HG2 VAL 62 3HG2 VAL 62 3.508 -1.305 -4.097 650 3HG2 VAL 62 1HG2 VAL 62 2.240 -0.663 -5.167 651 MG1 VAL 62 QG1 VAL 62 1.988 1.542 -3.512 652 MG2 VAL 62 QG2 VAL 62 3.224 -0.906 -5.001 653 QG VAL 62 QQG VAL 62 2.606 0.318 -4.256 654 H LYS 63 H LYS 63 5.677 3.083 -3.918 655 HA LYS 63 HA LYS 63 4.076 5.255 -3.272 656 1HB LYS 63 1HB LYS 63 6.986 4.602 -3.114 657 2HB LYS 63 2HB LYS 63 6.520 6.278 -2.911 658 1HG LYS 63 1HG LYS 63 4.689 4.609 -1.398 659 2HG LYS 63 2HG LYS 63 6.332 4.155 -0.992 660 1HD LYS 63 1HD LYS 63 6.899 6.384 -0.293 661 2HD LYS 63 2HD LYS 63 5.490 7.077 -1.071 662 1HE LYS 63 1HE LYS 63 4.280 6.811 0.827 663 2HE LYS 63 2HE LYS 63 4.548 5.079 0.778 664 1HZ LYS 63 1HZ LYS 63 6.664 6.825 1.760 665 2HZ LYS 63 2HZ LYS 63 5.420 6.438 2.744 666 3HZ LYS 63 3HZ LYS 63 6.369 5.261 2.126 667 QB LYS 63 QB LYS 63 6.753 5.440 -3.013 668 QD LYS 63 QD LYS 63 6.195 6.731 -0.682 669 QG LYS 63 QG LYS 63 5.510 4.382 -1.195 670 QE LYS 63 QE LYS 63 4.414 5.945 0.803 671 QZ LYS 63 QZ LYS 63 6.151 6.175 2.210 672 H VAL 64 H VAL 64 6.076 4.548 -6.119 673 HA VAL 64 HA VAL 64 6.037 7.251 -7.053 674 HB VAL 64 HB VAL 64 6.920 4.586 -8.110 675 1HG1 VAL 64 1HG1 VAL 64 6.604 7.145 -9.697 676 2HG1 VAL 64 2HG1 VAL 64 7.731 5.850 -10.165 677 3HG1 VAL 64 3HG1 VAL 64 5.983 5.521 -10.080 678 1HG2 VAL 64 1HG2 VAL 64 8.141 6.909 -6.858 679 2HG2 VAL 64 2HG2 VAL 64 8.807 5.282 -7.136 680 3HG2 VAL 64 3HG2 VAL 64 8.920 6.520 -8.411 681 MG1 VAL 64 QG1 VAL 64 6.772 6.172 -9.981 682 MG2 VAL 64 QG2 VAL 64 8.623 6.237 -7.468 683 QG VAL 64 QQG VAL 64 7.698 6.204 -8.725 684 H PHE 65 H PHE 65 4.150 4.237 -7.569 685 HA PHE 65 HA PHE 65 2.688 5.102 -9.761 686 1HB PHE 65 1HB PHE 65 2.911 2.790 -8.518 687 2HB PHE 65 2HB PHE 65 1.705 3.401 -7.401 688 HD1 PHE 65 HD1 PHE 65 1.904 3.750 -11.108 689 HD2 PHE 65 HD2 PHE 65 -0.201 2.141 -7.793 690 HE1 PHE 65 HE1 PHE 65 0.081 2.966 -12.645 691 HE2 PHE 65 HE2 PHE 65 -2.024 1.358 -9.330 692 HZ PHE 65 HZ PHE 65 -1.861 1.779 -11.739 693 QB PHE 65 QB PHE 65 2.308 3.096 -7.959 694 QD PHE 65 QD PHE 65 0.851 2.946 -9.450 695 QE PHE 65 QE PHE 65 -0.971 2.162 -10.988 696 QR PHE 65 QR PHE 65 -0.420 2.399 -10.523 697 H LEU 66 H LEU 66 1.837 5.207 -6.225 698 HA LEU 66 HA LEU 66 -0.613 6.363 -6.424 699 1HB LEU 66 1HB LEU 66 1.570 6.716 -4.375 700 2HB LEU 66 2HB LEU 66 -0.037 7.389 -4.178 701 HG LEU 66 HG LEU 66 0.412 4.440 -4.655 702 1HD1 LEU 66 2HD1 LEU 66 1.620 5.494 -2.585 703 2HD1 LEU 66 3HD1 LEU 66 -0.021 5.537 -1.899 704 3HD1 LEU 66 1HD1 LEU 66 0.688 3.988 -2.416 705 1HD2 LEU 66 2HD2 LEU 66 -1.895 5.996 -3.454 706 2HD2 LEU 66 3HD2 LEU 66 -1.849 5.236 -5.063 707 3HD2 LEU 66 1HD2 LEU 66 -1.798 4.225 -3.599 708 MD1 LEU 66 QD1 LEU 66 0.762 5.007 -2.300 709 MD2 LEU 66 QD2 LEU 66 -1.847 5.152 -4.038 710 QB LEU 66 QB LEU 66 0.767 7.053 -4.276 711 QD LEU 66 QQD LEU 66 -0.542 5.079 -3.169 712 H GLU 67 H GLU 67 2.536 8.151 -6.071 713 HA GLU 67 HA GLU 67 1.434 10.643 -6.371 714 1HB GLU 67 1HB GLU 67 4.162 9.445 -6.667 715 2HB GLU 67 2HB GLU 67 3.932 11.025 -7.389 716 1HG GLU 67 1HG GLU 67 2.755 10.816 -4.679 717 2HG GLU 67 2HG GLU 67 4.483 10.528 -4.695 718 QB GLU 67 QB GLU 67 4.047 10.235 -7.028 719 QG GLU 67 QG GLU 67 3.619 10.672 -4.687 720 H SER 68 H SER 68 2.597 8.282 -8.826 721 HA SER 68 HA SER 68 2.524 9.961 -10.998 722 1HB SER 68 1HB SER 68 2.822 8.036 -12.272 723 2HB SER 68 2HB SER 68 3.328 7.459 -10.697 724 HG SER 68 HG SER 68 1.753 6.081 -11.934 725 QB SER 68 QB SER 68 3.075 7.747 -11.484 726 H GLN 69 H GLN 69 -0.049 7.925 -9.479 727 HA GLN 69 HA GLN 69 -1.949 8.676 -11.449 728 1HB GLN 69 1HB GLN 69 -3.554 7.441 -9.981 729 2HB GLN 69 2HB GLN 69 -2.131 6.496 -10.373 730 1HG GLN 69 1HG GLN 69 -1.133 6.944 -8.192 731 2HG GLN 69 2HG GLN 69 -2.361 8.134 -7.809 732 1HE2 GLN 69 1HE2 GLN 69 -4.690 7.082 -8.417 733 2HE2 GLN 69 2HE2 GLN 69 -5.020 5.614 -7.559 734 QB GLN 69 QB GLN 69 -2.843 6.968 -10.177 735 QG GLN 69 QG GLN 69 -1.747 7.539 -8.001 736 QE GLN 69 QE2 GLN 69 -4.855 6.348 -7.988 737 H GLY 70 H GLY 70 -0.455 10.544 -9.255 738 1HA GLY 70 2HA GLY 70 -2.257 12.633 -9.286 739 2HA GLY 70 1HA GLY 70 -0.944 12.435 -8.143 740 QA GLY 70 QA GLY 70 -1.600 12.534 -8.714 741 H ILE 71 H ILE 71 -1.777 10.036 -6.806 742 HA ILE 71 HA ILE 71 -4.418 10.720 -5.766 743 HB ILE 71 HB ILE 71 -3.897 8.416 -6.572 744 1HG1 ILE 71 1HG1 ILE 71 -4.560 8.371 -3.632 745 2HG1 ILE 71 2HG1 ILE 71 -5.641 9.130 -4.784 746 1HG2 ILE 71 2HG2 ILE 71 -1.524 8.635 -5.350 747 2HG2 ILE 71 3HG2 ILE 71 -2.432 7.811 -4.059 748 3HG2 ILE 71 1HG2 ILE 71 -2.312 7.072 -5.673 749 1HD1 ILE 71 3HD1 ILE 71 -4.685 6.465 -5.659 750 2HD1 ILE 71 1HD1 ILE 71 -5.636 6.434 -4.155 751 3HD1 ILE 71 2HD1 ILE 71 -6.336 7.130 -5.636 752 MG ILE 71 QG2 ILE 71 -2.089 7.839 -5.027 753 MD ILE 71 QD1 ILE 71 -5.553 6.676 -5.150 754 QG ILE 71 QG1 ILE 71 -5.101 8.751 -4.208 755 H ALA 72 H ALA 72 -4.578 10.255 -3.250 756 HA ALA 72 HA ALA 72 -2.254 11.556 -2.003 757 1HB ALA 72 2HB ALA 72 -3.869 13.240 -1.958 758 2HB ALA 72 1HB ALA 72 -4.152 12.427 -0.400 759 3HB ALA 72 3HB ALA 72 -5.215 12.089 -1.787 760 MB ALA 72 QB ALA 72 -4.412 12.585 -1.382 761 H TYR 73 H TYR 73 -1.250 10.196 -0.615 762 HA TYR 73 HA TYR 73 -2.945 8.397 0.957 763 1HB TYR 73 1HB TYR 73 -0.995 6.713 0.524 764 2HB TYR 73 2HB TYR 73 -2.035 7.024 -0.852 765 HD1 TYR 73 HD1 TYR 73 1.305 6.806 0.210 766 HD2 TYR 73 HD2 TYR 73 -1.230 9.054 -2.403 767 HE1 TYR 73 HE1 TYR 73 3.326 7.496 -1.170 768 HE2 TYR 73 HE2 TYR 73 0.799 9.736 -3.773 769 HH TYR 73 HH TYR 73 3.677 8.196 -3.620 770 QB TYR 73 QB TYR 73 -1.515 6.868 -0.164 771 QD TYR 73 QD TYR 73 0.037 7.930 -1.096 772 QE TYR 73 QE TYR 73 2.063 8.616 -2.471 773 QR TYR 73 QR TYR 73 1.050 8.273 -1.784 774 H SER 74 H SER 74 -0.931 7.102 2.391 775 HA SER 74 HA SER 74 1.048 8.862 3.267 776 1HB SER 74 1HB SER 74 -1.260 9.778 4.239 777 2HB SER 74 2HB SER 74 -1.051 8.488 5.406 778 HG SER 74 HG SER 74 0.540 10.826 4.981 779 QB SER 74 QB SER 74 -1.156 9.133 4.822 780 H ILE 75 H ILE 75 1.818 7.960 5.656 781 HA ILE 75 HA ILE 75 1.881 5.061 5.285 782 HB ILE 75 HB ILE 75 3.690 6.898 6.857 783 1HG1 ILE 75 1HG1 ILE 75 5.269 5.935 4.926 784 2HG1 ILE 75 2HG1 ILE 75 3.749 5.864 4.055 785 1HG2 ILE 75 2HG2 ILE 75 3.398 3.980 6.776 786 2HG2 ILE 75 3HG2 ILE 75 5.053 4.551 6.455 787 3HG2 ILE 75 1HG2 ILE 75 4.223 5.026 7.956 788 1HD1 ILE 75 2HD1 ILE 75 3.855 8.388 5.454 789 2HD1 ILE 75 3HD1 ILE 75 5.381 8.164 4.566 790 3HD1 ILE 75 1HD1 ILE 75 3.829 8.095 3.699 791 MG ILE 75 QG2 ILE 75 4.225 4.519 7.062 792 MD ILE 75 QD1 ILE 75 4.355 8.216 4.573 793 QG ILE 75 QG1 ILE 75 4.509 5.899 4.490 794 H MET 76 H MET 76 0.917 3.688 6.707 795 HA MET 76 HA MET 76 -0.475 4.955 8.899 796 1HB MET 76 1HB MET 76 -1.423 3.221 7.120 797 2HB MET 76 2HB MET 76 -0.629 2.012 8.108 798 1HG MET 76 1HG MET 76 -2.952 2.222 8.851 799 2HG MET 76 2HG MET 76 -1.906 2.838 10.116 800 1HE MET 76 3HE MET 76 -4.824 2.999 8.700 801 2HE MET 76 1HE MET 76 -5.230 4.173 9.974 802 3HE MET 76 2HE MET 76 -5.347 4.642 8.261 803 QB MET 76 QB MET 76 -1.026 2.617 7.614 804 QG MET 76 QG MET 76 -2.429 2.530 9.483 805 ME MET 76 QE MET 76 -5.134 3.938 8.979 806 H ILE 77 H ILE 77 1.366 1.846 8.416 807 HA ILE 77 HA ILE 77 2.829 2.389 10.853 808 HB ILE 77 HB ILE 77 0.690 1.279 11.528 809 1HG1 ILE 77 1HG1 ILE 77 1.758 -0.245 13.088 810 2HG1 ILE 77 2HG1 ILE 77 3.199 -0.326 12.093 811 1HG2 ILE 77 1HG2 ILE 77 0.593 -0.189 9.467 812 2HG2 ILE 77 2HG2 ILE 77 1.835 -1.205 10.239 813 3HG2 ILE 77 3HG2 ILE 77 0.249 -0.989 11.020 814 1HD1 ILE 77 1HD1 ILE 77 2.317 2.427 12.863 815 2HD1 ILE 77 2HD1 ILE 77 2.930 1.398 14.180 816 3HD1 ILE 77 3HD1 ILE 77 3.957 1.742 12.768 817 MG ILE 77 QG2 ILE 77 0.892 -0.794 10.242 818 MD ILE 77 QD1 ILE 77 3.068 1.856 13.270 819 QG ILE 77 QG1 ILE 77 2.478 -0.286 12.590 820 H GLU 78 H GLU 78 4.916 1.723 10.640 821 HA GLU 78 HA GLU 78 5.473 0.194 8.243 822 1HB GLU 78 1HB GLU 78 7.733 1.061 8.399 823 2HB GLU 78 2HB GLU 78 6.623 2.399 8.623 824 1HG GLU 78 1HG GLU 78 7.141 1.199 11.209 825 2HG GLU 78 2HG GLU 78 8.677 1.483 10.414 826 QB GLU 78 QB GLU 78 7.178 1.730 8.511 827 QG GLU 78 QG GLU 78 7.909 1.341 10.811 828 H ASP 79 H ASP 79 8.246 -0.343 9.644 829 HA ASP 79 HA ASP 79 7.539 -2.165 11.698 830 1HB ASP 79 1HB ASP 79 7.158 -3.276 9.295 831 2HB ASP 79 2HB ASP 79 8.903 -3.433 9.313 832 QB ASP 79 QB ASP 79 8.030 -3.355 9.304 833 H VAL 80 H VAL 80 9.250 -1.701 13.092 834 HA VAL 80 HA VAL 80 11.774 -0.852 11.966 835 HB VAL 80 HB VAL 80 10.528 0.219 13.916 836 1HG1 VAL 80 2HG1 VAL 80 10.119 -2.030 15.048 837 2HG1 VAL 80 3HG1 VAL 80 11.828 -1.980 15.542 838 3HG1 VAL 80 1HG1 VAL 80 10.706 -0.712 16.090 839 1HG2 VAL 80 1HG2 VAL 80 12.824 0.806 13.325 840 2HG2 VAL 80 2HG2 VAL 80 12.625 0.775 15.094 841 3HG2 VAL 80 3HG2 VAL 80 13.440 -0.574 14.266 842 MG1 VAL 80 QG1 VAL 80 10.884 -1.574 15.560 843 MG2 VAL 80 QG2 VAL 80 12.963 0.336 14.228 844 QG VAL 80 QQG VAL 80 11.923 -0.619 14.894 845 H GLN 81 H GLN 81 13.109 -2.435 11.234 846 HA GLN 81 HA GLN 81 12.930 -5.061 12.104 847 1HB GLN 81 1HB GLN 81 13.882 -4.315 9.912 848 2HB GLN 81 2HB GLN 81 15.272 -3.652 10.749 849 1HG GLN 81 1HG GLN 81 15.418 -6.126 11.781 850 2HG GLN 81 2HG GLN 81 14.499 -6.544 10.348 851 1HE2 GLN 81 1HE2 GLN 81 17.319 -4.633 11.373 852 2HE2 GLN 81 2HE2 GLN 81 18.336 -4.992 10.019 853 QB GLN 81 QB GLN 81 14.577 -3.983 10.331 854 QG GLN 81 QG GLN 81 14.959 -6.335 11.064 855 QE GLN 81 QE2 GLN 81 17.827 -4.813 10.696 No H/Q in entry = 855 Start of MODEL 11 1 H MET 1 H MET 1 23.750 -25.225 10.429 2 HA MET 1 HA MET 1 23.264 -27.528 10.757 3 1HB MET 1 1HB MET 1 22.168 -26.444 13.408 4 2HB MET 1 2HB MET 1 21.800 -28.057 12.829 5 1HG MET 1 1HG MET 1 23.688 -28.666 13.979 6 2HG MET 1 2HG MET 1 24.540 -28.065 12.572 7 1HE MET 1 3HE MET 1 26.040 -28.392 14.705 8 2HE MET 1 1HE MET 1 26.941 -26.980 14.102 9 3HE MET 1 2HE MET 1 26.446 -27.057 15.810 10 QB MET 1 QB MET 1 21.984 -27.251 13.118 11 QG MET 1 QG MET 1 24.114 -28.365 13.276 12 ME MET 1 QE MET 1 26.476 -27.476 14.872 13 H ARG 2 H ARG 2 21.032 -24.953 12.038 14 HA ARG 2 HA ARG 2 19.083 -25.940 10.123 15 1HB ARG 2 1HB ARG 2 18.661 -25.654 12.749 16 2HB ARG 2 2HB ARG 2 18.413 -23.970 12.330 17 1HG ARG 2 1HG ARG 2 16.258 -24.594 11.898 18 2HG ARG 2 2HG ARG 2 16.894 -25.209 10.386 19 1HD ARG 2 1HD ARG 2 17.241 -27.452 11.429 20 2HD ARG 2 2HD ARG 2 16.642 -26.843 12.959 21 HE ARG 2 HE ARG 2 14.657 -26.269 11.016 22 1HH1 ARG 2 2HH1 ARG 2 12.815 -27.594 10.746 23 2HH1 ARG 2 1HH1 ARG 2 12.847 -29.241 11.283 24 1HH2 ARG 2 2HH2 ARG 2 16.156 -29.095 12.481 25 2HH2 ARG 2 1HH2 ARG 2 14.761 -30.100 12.276 26 QB ARG 2 QB ARG 2 18.537 -24.812 12.539 27 QG ARG 2 QG ARG 2 16.576 -24.902 11.142 28 QD ARG 2 QD ARG 2 16.942 -27.148 12.194 29 QH1 ARG 2 QH1 ARG 2 12.831 -28.418 11.014 30 QH2 ARG 2 QH2 ARG 2 15.459 -29.597 12.378 31 H SER 3 H SER 3 18.191 -24.509 8.565 32 HA SER 3 HA SER 3 19.774 -22.282 7.947 33 1HB SER 3 1HB SER 3 18.140 -21.934 6.106 34 2HB SER 3 2HB SER 3 18.668 -23.603 6.203 35 HG SER 3 HG SER 3 16.270 -23.158 5.960 36 QB SER 3 QB SER 3 18.404 -22.769 6.154 37 H LEU 4 H LEU 4 19.412 -20.062 8.278 38 HA LEU 4 HA LEU 4 17.738 -19.357 10.422 39 1HB LEU 4 1HB LEU 4 19.508 -17.943 8.489 40 2HB LEU 4 2HB LEU 4 18.340 -16.987 9.380 41 HG LEU 4 HG LEU 4 19.313 -18.104 11.497 42 1HD1 LEU 4 1HD1 LEU 4 20.715 -19.618 9.691 43 2HD1 LEU 4 2HD1 LEU 4 21.915 -18.391 10.167 44 3HD1 LEU 4 3HD1 LEU 4 21.134 -19.401 11.407 45 1HD2 LEU 4 1HD2 LEU 4 19.601 -15.747 10.955 46 2HD2 LEU 4 2HD2 LEU 4 21.095 -16.424 11.648 47 3HD2 LEU 4 3HD2 LEU 4 20.975 -16.141 9.894 48 MD1 LEU 4 QD1 LEU 4 21.255 -19.137 10.422 49 MD2 LEU 4 QD2 LEU 4 20.557 -16.104 10.832 50 QB LEU 4 QB LEU 4 18.924 -17.465 8.935 51 QD LEU 4 QQD LEU 4 20.906 -17.620 10.627 52 H GLU 5 H GLU 5 16.082 -17.483 10.213 53 HA GLU 5 HA GLU 5 14.235 -18.341 8.165 54 1HB GLU 5 1HB GLU 5 13.566 -18.192 10.608 55 2HB GLU 5 2HB GLU 5 13.761 -16.453 10.512 56 1HG GLU 5 1HG GLU 5 11.828 -16.162 9.292 57 2HG GLU 5 2HG GLU 5 12.077 -17.616 8.348 58 QB GLU 5 QB GLU 5 13.663 -17.323 10.560 59 QG GLU 5 QG GLU 5 11.952 -16.889 8.820 60 H THR 6 H THR 6 13.539 -17.040 6.468 61 HA THR 6 HA THR 6 14.888 -14.438 6.264 62 HB THR 6 HB THR 6 14.635 -14.783 3.838 63 HG1 THR 6 HG1 THR 6 12.580 -15.829 3.820 64 1HG2 THR 6 1HG2 THR 6 16.091 -16.599 5.496 65 2HG2 THR 6 2HG2 THR 6 15.250 -17.601 4.288 66 3HG2 THR 6 3HG2 THR 6 16.343 -16.299 3.759 67 MG THR 6 QG2 THR 6 15.895 -16.833 4.514 68 H PHE 7 H PHE 7 13.701 -12.633 5.280 69 HA PHE 7 HA PHE 7 10.879 -12.770 5.123 70 1HB PHE 7 1HB PHE 7 12.334 -11.836 7.615 71 2HB PHE 7 2HB PHE 7 10.955 -10.877 7.115 72 HD1 PHE 7 HD1 PHE 7 11.899 -13.424 9.216 73 HD2 PHE 7 HD2 PHE 7 8.842 -12.476 6.428 74 HE1 PHE 7 HE1 PHE 7 10.358 -15.045 10.355 75 HE2 PHE 7 HE2 PHE 7 7.301 -14.096 7.568 76 HZ PHE 7 HZ PHE 7 8.077 -15.362 9.517 77 QB PHE 7 QB PHE 7 11.645 -11.357 7.365 78 QD PHE 7 QD PHE 7 10.371 -12.950 7.822 79 QE PHE 7 QE PHE 7 8.829 -14.571 8.962 80 QR PHE 7 QR PHE 7 9.295 -14.080 8.617 81 H VAL 8 H VAL 8 10.097 -10.185 5.358 82 HA VAL 8 HA VAL 8 12.122 -8.586 3.986 83 HB VAL 8 HB VAL 8 9.450 -9.450 2.965 84 1HG1 VAL 8 2HG1 VAL 8 10.744 -6.767 2.389 85 2HG1 VAL 8 3HG1 VAL 8 9.483 -7.507 1.371 86 3HG1 VAL 8 1HG1 VAL 8 9.124 -7.072 3.060 87 1HG2 VAL 8 1HG2 VAL 8 12.217 -9.064 1.802 88 2HG2 VAL 8 2HG2 VAL 8 11.285 -10.571 1.973 89 3HG2 VAL 8 3HG2 VAL 8 10.781 -9.343 0.787 90 MG1 VAL 8 QG1 VAL 8 9.784 -7.115 2.273 91 MG2 VAL 8 QG2 VAL 8 11.428 -9.659 1.521 92 QG VAL 8 QQG VAL 8 10.606 -8.387 1.897 93 H GLY 9 H GLY 9 8.690 -8.562 5.197 94 1HA GLY 9 2HA GLY 9 9.399 -6.243 6.860 95 2HA GLY 9 1HA GLY 9 8.039 -7.323 7.085 96 QA GLY 9 QA GLY 9 8.719 -6.783 6.973 97 H ASP 10 H ASP 10 6.321 -7.328 5.289 98 HA ASP 10 HA ASP 10 6.180 -5.386 3.387 99 1HB ASP 10 1HB ASP 10 3.556 -5.672 3.954 100 2HB ASP 10 2HB ASP 10 4.472 -6.911 3.119 101 QB ASP 10 QB ASP 10 4.014 -6.292 3.537 102 H GLN 11 H GLN 11 4.112 -3.676 3.555 103 HA GLN 11 HA GLN 11 3.933 -2.490 6.143 104 1HB GLN 11 1HB GLN 11 6.081 -1.550 5.264 105 2HB GLN 11 2HB GLN 11 5.229 -0.925 3.865 106 1HG GLN 11 1HG GLN 11 3.801 -0.083 6.236 107 2HG GLN 11 2HG GLN 11 5.501 0.279 6.467 108 1HE2 GLN 11 1HE2 GLN 11 6.181 2.136 5.740 109 2HE2 GLN 11 2HE2 GLN 11 5.498 3.082 4.458 110 QB GLN 11 QB GLN 11 5.655 -1.238 4.565 111 QG GLN 11 QG GLN 11 4.651 0.098 6.352 112 QE GLN 11 QE2 GLN 11 5.840 2.609 5.099 113 H VAL 12 H VAL 12 2.110 -1.073 6.318 114 HA VAL 12 HA VAL 12 0.342 -1.244 3.995 115 HB VAL 12 HB VAL 12 -0.572 -0.305 6.668 116 1HG1 VAL 12 2HG1 VAL 12 -1.788 -1.023 4.268 117 2HG1 VAL 12 3HG1 VAL 12 -2.074 -2.423 5.331 118 3HG1 VAL 12 1HG1 VAL 12 -2.593 -0.798 5.839 119 1HG2 VAL 12 1HG2 VAL 12 0.555 -3.022 6.119 120 2HG2 VAL 12 2HG2 VAL 12 0.570 -2.056 7.614 121 3HG2 VAL 12 3HG2 VAL 12 -0.915 -2.902 7.114 122 MG1 VAL 12 QG1 VAL 12 -2.152 -1.414 5.146 123 MG2 VAL 12 QG2 VAL 12 0.070 -2.660 6.949 124 QG VAL 12 QQG VAL 12 -1.041 -2.037 6.047 125 H LEU 13 H LEU 13 -1.185 0.743 3.770 126 HA LEU 13 HA LEU 13 -0.072 3.234 4.628 127 1HB LEU 13 1HB LEU 13 0.818 4.049 2.711 128 2HB LEU 13 2HB LEU 13 1.293 2.366 2.588 129 HG LEU 13 HG LEU 13 -1.138 2.374 1.285 130 1HD1 LEU 13 1HD1 LEU 13 0.276 4.972 0.626 131 2HD1 LEU 13 2HD1 LEU 13 -1.066 4.257 -0.300 132 3HD1 LEU 13 3HD1 LEU 13 -1.327 4.793 1.377 133 1HD2 LEU 13 3HD2 LEU 13 1.340 1.539 0.744 134 2HD2 LEU 13 1HD2 LEU 13 0.068 1.648 -0.495 135 3HD2 LEU 13 2HD2 LEU 13 1.283 2.941 -0.351 136 MD1 LEU 13 QD1 LEU 13 -0.706 4.674 0.568 137 MD2 LEU 13 QD2 LEU 13 0.897 2.043 -0.034 138 QB LEU 13 QB LEU 13 1.056 3.208 2.650 139 QD LEU 13 QQD LEU 13 0.096 3.359 0.267 140 H GLU 14 H GLU 14 -1.585 4.936 4.433 141 HA GLU 14 HA GLU 14 -4.226 3.949 3.763 142 1HB GLU 14 1HB GLU 14 -4.924 6.140 4.952 143 2HB GLU 14 2HB GLU 14 -4.225 4.873 5.940 144 1HG GLU 14 1HG GLU 14 -2.218 6.728 4.769 145 2HG GLU 14 2HG GLU 14 -3.344 7.503 5.866 146 QB GLU 14 QB GLU 14 -4.575 5.506 5.446 147 QG GLU 14 QG GLU 14 -2.781 7.116 5.318 148 H ILE 15 H ILE 15 -5.357 4.674 1.988 149 HA ILE 15 HA ILE 15 -4.174 6.956 0.563 150 HB ILE 15 HB ILE 15 -5.542 4.519 -0.583 151 1HG1 ILE 15 1HG1 ILE 15 -2.692 5.194 -1.157 152 2HG1 ILE 15 2HG1 ILE 15 -3.055 4.510 0.415 153 1HG2 ILE 15 3HG2 ILE 15 -5.801 6.821 -1.746 154 2HG2 ILE 15 1HG2 ILE 15 -4.085 6.615 -2.173 155 3HG2 ILE 15 2HG2 ILE 15 -5.286 5.414 -2.709 156 1HD1 ILE 15 1HD1 ILE 15 -4.555 2.872 -1.229 157 2HD1 ILE 15 2HD1 ILE 15 -3.155 3.241 -2.265 158 3HD1 ILE 15 3HD1 ILE 15 -2.908 2.502 -0.665 159 MG ILE 15 QG2 ILE 15 -5.057 6.283 -2.209 160 MD ILE 15 QD1 ILE 15 -3.539 2.872 -1.386 161 QG ILE 15 QG1 ILE 15 -2.874 4.852 -0.371 162 H VAL 16 H VAL 16 -5.602 8.513 -0.315 163 HA VAL 16 HA VAL 16 -8.392 8.189 0.549 164 HB VAL 16 HB VAL 16 -6.736 10.720 0.628 165 1HG1 VAL 16 3HG1 VAL 16 -9.621 10.105 1.043 166 2HG1 VAL 16 1HG1 VAL 16 -8.868 11.249 2.179 167 3HG1 VAL 16 2HG1 VAL 16 -8.837 11.580 0.430 168 1HG2 VAL 16 2HG2 VAL 16 -6.778 8.549 2.460 169 2HG2 VAL 16 3HG2 VAL 16 -6.013 10.145 2.655 170 3HG2 VAL 16 1HG2 VAL 16 -7.686 9.886 3.208 171 MG1 VAL 16 QG1 VAL 16 -9.108 10.978 1.217 172 MG2 VAL 16 QG2 VAL 16 -6.826 9.527 2.774 173 QG VAL 16 QQG VAL 16 -7.967 10.252 1.996 174 HA PRO 17 HA PRO 17 -8.455 8.906 -3.847 175 1HB PRO 17 1HB PRO 17 -10.623 7.329 -4.385 176 2HB PRO 17 2HB PRO 17 -8.973 6.738 -4.428 177 1HG PRO 17 1HG PRO 17 -11.051 6.284 -2.375 178 2HG PRO 17 2HG PRO 17 -9.574 5.385 -2.660 179 1HD PRO 17 1HD PRO 17 -10.044 7.299 -0.575 180 2HD PRO 17 2HD PRO 17 -8.533 6.486 -0.931 181 QB PRO 17 QB PRO 17 -9.798 7.034 -4.406 182 QG PRO 17 QG PRO 17 -10.313 5.835 -2.518 183 QD PRO 17 QD PRO 17 -9.288 6.892 -0.753 184 H SER 18 H SER 18 -10.531 9.376 -5.381 185 HA SER 18 HA SER 18 -12.565 10.709 -3.974 186 1HB SER 18 1HB SER 18 -10.789 12.398 -3.650 187 2HB SER 18 2HB SER 18 -10.477 12.438 -5.374 188 HG SER 18 HG SER 18 -12.659 13.236 -5.700 189 QB SER 18 QB SER 18 -10.633 12.418 -4.512 190 H ASN 19 H ASN 19 -10.641 10.330 -6.997 191 HA ASN 19 HA ASN 19 -13.106 10.641 -8.500 192 1HB ASN 19 1HB ASN 19 -10.180 10.547 -9.411 193 2HB ASN 19 2HB ASN 19 -11.541 10.736 -10.500 194 1HD2 ASN 19 1HD2 ASN 19 -9.199 12.452 -9.629 195 2HD2 ASN 19 2HD2 ASN 19 -9.881 13.995 -9.237 196 QB ASN 19 QB ASN 19 -10.860 10.641 -9.956 197 QD ASN 19 QD2 ASN 19 -9.540 13.224 -9.433 198 H GLU 20 H GLU 20 -13.122 9.053 -10.556 199 HA GLU 20 HA GLU 20 -13.012 6.440 -9.496 200 1HB GLU 20 1HB GLU 20 -13.818 7.674 -12.130 201 2HB GLU 20 2HB GLU 20 -13.593 5.938 -12.047 202 1HG GLU 20 1HG GLU 20 -15.662 5.741 -11.143 203 2HG GLU 20 2HG GLU 20 -15.103 6.615 -9.730 204 QB GLU 20 QB GLU 20 -13.706 6.806 -12.088 205 QG GLU 20 QG GLU 20 -15.382 6.178 -10.436 206 H GLU 21 H GLU 21 -11.093 8.356 -11.863 207 HA GLU 21 HA GLU 21 -9.578 6.316 -12.875 208 1HB GLU 21 1HB GLU 21 -9.359 8.382 -13.970 209 2HB GLU 21 2HB GLU 21 -9.140 9.275 -12.478 210 1HG GLU 21 1HG GLU 21 -7.037 7.232 -12.962 211 2HG GLU 21 2HG GLU 21 -7.093 8.487 -14.185 212 QB GLU 21 QB GLU 21 -9.249 8.828 -13.224 213 QG GLU 21 QG GLU 21 -7.065 7.859 -13.573 214 H GLN 22 H GLN 22 -9.079 8.319 -9.906 215 HA GLN 22 HA GLN 22 -6.597 7.288 -9.274 216 1HB GLN 22 1HB GLN 22 -8.785 8.713 -7.796 217 2HB GLN 22 2HB GLN 22 -7.562 7.920 -6.822 218 1HG GLN 22 1HG GLN 22 -6.180 9.677 -7.187 219 2HG GLN 22 2HG GLN 22 -6.125 9.249 -8.885 220 1HE2 GLN 22 1HE2 GLN 22 -7.281 11.415 -6.512 221 2HE2 GLN 22 2HE2 GLN 22 -8.164 12.504 -7.531 222 QB GLN 22 QB GLN 22 -8.174 8.316 -7.309 223 QG GLN 22 QG GLN 22 -6.153 9.463 -8.036 224 QE GLN 22 QE2 GLN 22 -7.722 11.960 -7.021 225 H ILE 23 H ILE 23 -9.932 6.197 -8.432 226 HA ILE 23 HA ILE 23 -9.038 4.116 -6.729 227 HB ILE 23 HB ILE 23 -11.622 4.969 -7.950 228 1HG1 ILE 23 1HG1 ILE 23 -10.778 4.402 -5.094 229 2HG1 ILE 23 2HG1 ILE 23 -10.755 5.981 -5.854 230 1HG2 ILE 23 1HG2 ILE 23 -11.032 2.233 -6.840 231 2HG2 ILE 23 2HG2 ILE 23 -12.650 2.962 -6.701 232 3HG2 ILE 23 3HG2 ILE 23 -11.932 2.688 -8.307 233 1HD1 ILE 23 1HD1 ILE 23 -13.344 4.968 -6.392 234 2HD1 ILE 23 2HD1 ILE 23 -13.008 4.531 -4.700 235 3HD1 ILE 23 3HD1 ILE 23 -12.912 6.232 -5.214 236 MG ILE 23 QG2 ILE 23 -11.871 2.628 -7.283 237 MD ILE 23 QD1 ILE 23 -13.088 5.244 -5.435 238 QG ILE 23 QG1 ILE 23 -10.766 5.191 -5.474 239 H LYS 24 H LYS 24 -9.874 4.401 -10.211 240 HA LYS 24 HA LYS 24 -9.770 1.633 -10.719 241 1HB LYS 24 1HB LYS 24 -10.921 2.765 -12.346 242 2HB LYS 24 2HB LYS 24 -9.840 4.144 -12.327 243 1HG LYS 24 1HG LYS 24 -8.063 2.751 -13.431 244 2HG LYS 24 2HG LYS 24 -9.169 1.393 -13.477 245 1HD LYS 24 1HD LYS 24 -10.334 3.868 -14.613 246 2HD LYS 24 2HD LYS 24 -8.897 3.338 -15.464 247 1HE LYS 24 1HE LYS 24 -10.162 0.932 -15.213 248 2HE LYS 24 2HE LYS 24 -11.564 1.985 -15.210 249 1HZ LYS 24 1HZ LYS 24 -9.848 2.856 -17.201 250 2HZ LYS 24 2HZ LYS 24 -9.997 1.239 -17.371 251 3HZ LYS 24 3HZ LYS 24 -11.327 2.186 -17.373 252 QB LYS 24 QB LYS 24 -10.380 3.455 -12.337 253 QD LYS 24 QD LYS 24 -9.616 3.603 -15.038 254 QG LYS 24 QG LYS 24 -8.616 2.072 -13.454 255 QE LYS 24 QE LYS 24 -10.863 1.458 -15.212 256 QZ LYS 24 QZ LYS 24 -10.391 2.093 -17.315 257 H ASN 25 H ASN 25 -7.356 3.907 -9.853 258 HA ASN 25 HA ASN 25 -5.268 2.880 -11.417 259 1HB ASN 25 1HB ASN 25 -5.515 5.114 -9.941 260 2HB ASN 25 2HB ASN 25 -4.798 4.118 -8.689 261 1HD2 ASN 25 1HD2 ASN 25 -4.400 4.880 -12.145 262 2HD2 ASN 25 2HD2 ASN 25 -2.671 4.973 -12.153 263 QB ASN 25 QB ASN 25 -5.157 4.616 -9.315 264 QD ASN 25 QD2 ASN 25 -3.536 4.926 -12.149 265 H LEU 26 H LEU 26 -6.411 2.413 -7.998 266 HA LEU 26 HA LEU 26 -4.408 0.600 -7.263 267 1HB LEU 26 1HB LEU 26 -7.033 1.498 -6.207 268 2HB LEU 26 2HB LEU 26 -6.429 -0.038 -5.615 269 HG LEU 26 HG LEU 26 -5.130 2.681 -5.369 270 1HD1 LEU 26 3HD1 LEU 26 -6.948 2.038 -3.771 271 2HD1 LEU 26 1HD1 LEU 26 -5.913 0.697 -3.222 272 3HD1 LEU 26 2HD1 LEU 26 -5.374 2.381 -3.013 273 1HD2 LEU 26 1HD2 LEU 26 -3.898 -0.010 -5.280 274 2HD2 LEU 26 2HD2 LEU 26 -3.181 1.579 -5.637 275 3HD2 LEU 26 3HD2 LEU 26 -3.473 1.093 -3.950 276 MD1 LEU 26 QD1 LEU 26 -6.078 1.705 -3.335 277 MD2 LEU 26 QD2 LEU 26 -3.517 0.887 -4.956 278 QB LEU 26 QB LEU 26 -6.731 0.730 -5.911 279 QD LEU 26 QQD LEU 26 -4.798 1.296 -4.145 280 H LEU 27 H LEU 27 -7.704 0.175 -8.673 281 HA LEU 27 HA LEU 27 -7.860 -2.561 -8.502 282 1HB LEU 27 1HB LEU 27 -8.989 -0.478 -10.311 283 2HB LEU 27 2HB LEU 27 -9.175 -2.158 -10.772 284 HG LEU 27 HG LEU 27 -9.901 -1.832 -7.997 285 1HD1 LEU 27 3HD1 LEU 27 -10.306 0.533 -8.793 286 2HD1 LEU 27 1HD1 LEU 27 -11.561 -0.133 -9.866 287 3HD1 LEU 27 2HD1 LEU 27 -11.713 -0.311 -8.102 288 1HD2 LEU 27 2HD2 LEU 27 -10.996 -2.974 -10.496 289 2HD2 LEU 27 3HD2 LEU 27 -10.908 -3.656 -8.854 290 3HD2 LEU 27 1HD2 LEU 27 -12.195 -2.498 -9.270 291 MD1 LEU 27 QD1 LEU 27 -11.193 0.030 -8.920 292 MD2 LEU 27 QD2 LEU 27 -11.366 -3.043 -9.540 293 QB LEU 27 QB LEU 27 -9.082 -1.318 -10.542 294 QD LEU 27 QQD LEU 27 -11.280 -1.506 -9.230 295 H GLN 28 H GLN 28 -6.478 -0.563 -11.203 296 HA GLN 28 HA GLN 28 -5.697 -2.703 -12.734 297 1HB GLN 28 1HB GLN 28 -5.696 -0.055 -13.118 298 2HB GLN 28 2HB GLN 28 -4.010 -0.205 -12.663 299 1HG GLN 28 1HG GLN 28 -4.630 -2.332 -14.524 300 2HG GLN 28 2HG GLN 28 -5.232 -0.828 -15.196 301 1HE2 GLN 28 1HE2 GLN 28 -2.677 -2.818 -15.125 302 2HE2 GLN 28 2HE2 GLN 28 -1.365 -1.732 -15.441 303 QB GLN 28 QB GLN 28 -4.853 -0.130 -12.891 304 QG GLN 28 QG GLN 28 -4.931 -1.580 -14.860 305 QE GLN 28 QE2 GLN 28 -2.021 -2.275 -15.283 306 H LEU 29 H LEU 29 -4.117 -1.100 -9.950 307 HA LEU 29 HA LEU 29 -1.623 -2.391 -10.296 308 1HB LEU 29 1HB LEU 29 -1.595 -0.394 -9.105 309 2HB LEU 29 2HB LEU 29 -2.960 -0.845 -8.103 310 HG LEU 29 HG LEU 29 -1.507 -2.571 -6.999 311 1HD1 LEU 29 1HD1 LEU 29 0.302 -1.795 -9.104 312 2HD1 LEU 29 2HD1 LEU 29 1.055 -1.525 -7.514 313 3HD1 LEU 29 3HD1 LEU 29 0.423 -3.134 -7.937 314 1HD2 LEU 29 2HD2 LEU 29 -0.786 0.360 -6.836 315 2HD2 LEU 29 3HD2 LEU 29 -1.900 -0.569 -5.805 316 3HD2 LEU 29 1HD2 LEU 29 -0.147 -0.862 -5.712 317 MD1 LEU 29 QD1 LEU 29 0.593 -2.151 -8.185 318 MD2 LEU 29 QD2 LEU 29 -0.944 -0.357 -6.118 319 QB LEU 29 QB LEU 29 -2.277 -0.620 -8.604 320 QD LEU 29 QQD LEU 29 -0.176 -1.254 -7.151 321 H GLU 30 H GLU 30 -4.212 -2.889 -7.788 322 HA GLU 30 HA GLU 30 -3.205 -5.167 -6.748 323 1HB GLU 30 1HB GLU 30 -5.357 -3.701 -6.195 324 2HB GLU 30 2HB GLU 30 -6.191 -4.926 -7.130 325 1HG GLU 30 1HG GLU 30 -4.702 -6.565 -5.558 326 2HG GLU 30 2HG GLU 30 -4.784 -5.182 -4.485 327 QB GLU 30 QB GLU 30 -5.774 -4.313 -6.662 328 QG GLU 30 QG GLU 30 -4.743 -5.873 -5.022 329 H ALA 31 H ALA 31 -4.886 -4.694 -9.835 330 HA ALA 31 HA ALA 31 -5.689 -7.310 -10.320 331 1HB ALA 31 3HB ALA 31 -5.799 -6.597 -12.644 332 2HB ALA 31 1HB ALA 31 -6.331 -5.254 -11.605 333 3HB ALA 31 2HB ALA 31 -4.701 -5.234 -12.316 334 MB ALA 31 QB ALA 31 -5.610 -5.695 -12.188 335 H GLN 32 H GLN 32 -2.559 -5.611 -10.956 336 HA GLN 32 HA GLN 32 -1.330 -7.573 -12.368 337 1HB GLN 32 1HB GLN 32 -0.394 -5.398 -10.518 338 2HB GLN 32 2HB GLN 32 0.786 -6.601 -11.000 339 1HG GLN 32 1HG GLN 32 -0.959 -5.059 -12.978 340 2HG GLN 32 2HG GLN 32 0.660 -4.564 -12.524 341 1HE2 GLN 32 1HE2 GLN 32 -0.706 -5.616 -15.036 342 2HE2 GLN 32 2HE2 GLN 32 0.344 -6.857 -15.636 343 QB GLN 32 QB GLN 32 0.196 -5.999 -10.759 344 QG GLN 32 QG GLN 32 -0.149 -4.812 -12.751 345 QE GLN 32 QE2 GLN 32 -0.181 -6.237 -15.336 346 H GLU 33 H GLU 33 -1.431 -9.732 -11.827 347 HA GLU 33 HA GLU 33 -1.808 -10.867 -9.484 348 1HB GLU 33 1HB GLU 33 -1.378 -11.921 -11.821 349 2HB GLU 33 2HB GLU 33 0.310 -11.983 -11.357 350 1HG GLU 33 1HG GLU 33 -0.774 -13.088 -9.120 351 2HG GLU 33 2HG GLU 33 -2.022 -13.532 -10.266 352 QB GLU 33 QB GLU 33 -0.534 -11.952 -11.589 353 QG GLU 33 QG GLU 33 -1.398 -13.310 -9.693 354 H HIS 34 H HIS 34 1.541 -10.244 -10.778 355 HA HIS 34 HA HIS 34 3.007 -11.041 -8.690 356 1HB HIS 34 1HB HIS 34 3.628 -8.408 -10.012 357 2HB HIS 34 2HB HIS 34 4.732 -9.659 -9.478 358 HD1 HIS 34 HD1 HIS 34 4.448 -12.047 -10.918 359 HD2 HIS 34 HD2 HIS 34 3.108 -8.491 -12.694 360 HE1 HIS 34 HE1 HIS 34 4.289 -12.513 -13.422 361 HE2 HIS 34 HE2 HIS 34 3.409 -10.310 -14.453 362 QB HIS 34 QB HIS 34 4.180 -9.033 -9.745 363 H LEU 35 H LEU 35 1.177 -7.948 -8.954 364 HA LEU 35 HA LEU 35 1.931 -7.356 -6.192 365 1HB LEU 35 1HB LEU 35 1.040 -5.746 -8.535 366 2HB LEU 35 2HB LEU 35 0.614 -5.172 -6.934 367 HG LEU 35 HG LEU 35 3.437 -5.771 -7.865 368 1HD1 LEU 35 1HD1 LEU 35 2.085 -3.764 -8.881 369 2HD1 LEU 35 2HD1 LEU 35 2.425 -3.006 -7.307 370 3HD1 LEU 35 3HD1 LEU 35 3.768 -3.546 -8.342 371 1HD2 LEU 35 2HD2 LEU 35 2.334 -5.438 -5.248 372 2HD2 LEU 35 3HD2 LEU 35 4.028 -5.694 -5.732 373 3HD2 LEU 35 1HD2 LEU 35 3.375 -4.042 -5.615 374 MD1 LEU 35 QD1 LEU 35 2.759 -3.439 -8.176 375 MD2 LEU 35 QD2 LEU 35 3.246 -5.058 -5.532 376 QB LEU 35 QB LEU 35 0.827 -5.459 -7.735 377 QD LEU 35 QQD LEU 35 3.003 -4.248 -6.854 378 H GLN 36 H GLN 36 0.339 -9.571 -6.321 379 HA GLN 36 HA GLN 36 -2.388 -8.958 -6.375 380 1HB GLN 36 1HB GLN 36 -0.686 -11.286 -5.573 381 2HB GLN 36 2HB GLN 36 -2.296 -11.238 -4.882 382 1HG GLN 36 1HG GLN 36 -2.563 -10.546 -7.657 383 2HG GLN 36 2HG GLN 36 -1.505 -11.941 -7.582 384 1HE2 GLN 36 1HE2 GLN 36 -2.212 -13.737 -6.147 385 2HE2 GLN 36 2HE2 GLN 36 -3.891 -14.159 -6.119 386 QB GLN 36 QB GLN 36 -1.491 -11.262 -5.227 387 QG GLN 36 QG GLN 36 -2.034 -11.243 -7.619 388 QE GLN 36 QE2 GLN 36 -3.052 -13.948 -6.133 389 H LEU 37 H LEU 37 -1.973 -6.882 -4.984 390 HA LEU 37 HA LEU 37 -1.663 -7.371 -2.173 391 1HB LEU 37 1HB LEU 37 -2.595 -4.771 -3.303 392 2HB LEU 37 2HB LEU 37 -1.541 -5.090 -1.939 393 HG LEU 37 HG LEU 37 -0.231 -6.066 -4.280 394 1HD1 LEU 37 3HD1 LEU 37 -1.389 -3.287 -4.592 395 2HD1 LEU 37 1HD1 LEU 37 0.002 -3.899 -5.520 396 3HD1 LEU 37 2HD1 LEU 37 -1.588 -4.686 -5.674 397 1HD2 LEU 37 1HD2 LEU 37 0.242 -3.878 -2.269 398 2HD2 LEU 37 2HD2 LEU 37 1.099 -5.423 -2.487 399 3HD2 LEU 37 3HD2 LEU 37 1.335 -4.101 -3.655 400 MD1 LEU 37 QD1 LEU 37 -0.992 -3.957 -5.262 401 MD2 LEU 37 QD2 LEU 37 0.892 -4.467 -2.804 402 QB LEU 37 QB LEU 37 -2.068 -4.930 -2.621 403 QD LEU 37 QQD LEU 37 -0.050 -4.212 -4.033 404 H ASP 38 H ASP 38 -3.345 -6.459 -0.601 405 HA ASP 38 HA ASP 38 -6.008 -6.915 -1.679 406 1HB ASP 38 1HB ASP 38 -4.843 -8.815 -0.192 407 2HB ASP 38 2HB ASP 38 -5.308 -7.771 1.136 408 QB ASP 38 QB ASP 38 -5.076 -8.293 0.472 409 H PHE 39 H PHE 39 -6.978 -4.888 -1.432 410 HA PHE 39 HA PHE 39 -6.062 -3.037 0.506 411 1HB PHE 39 1HB PHE 39 -8.670 -3.160 -1.124 412 2HB PHE 39 2HB PHE 39 -7.962 -1.706 -0.448 413 HD1 PHE 39 HD1 PHE 39 -8.398 -3.449 -3.385 414 HD2 PHE 39 HD2 PHE 39 -5.371 -1.397 -1.232 415 HE1 PHE 39 HE1 PHE 39 -7.132 -3.072 -5.521 416 HE2 PHE 39 HE2 PHE 39 -4.106 -1.022 -3.367 417 HZ PHE 39 HZ PHE 39 -5.002 -1.863 -5.486 418 QB PHE 39 QB PHE 39 -8.316 -2.433 -0.786 419 QD PHE 39 QD PHE 39 -6.884 -2.423 -2.309 420 QE PHE 39 QE PHE 39 -5.619 -2.047 -4.444 421 QR PHE 39 QR PHE 39 -6.002 -2.160 -3.798 422 H TRP 40 H TRP 40 -6.616 -2.880 2.623 423 HA TRP 40 HA TRP 40 -8.363 -4.661 3.839 424 1HB TRP 40 1HB TRP 40 -7.142 -2.048 4.695 425 2HB TRP 40 2HB TRP 40 -8.245 -2.924 5.737 426 HD1 TRP 40 HD1 TRP 40 -6.224 -5.419 3.867 427 HE1 TRP 40 HE1 TRP 40 -4.237 -6.427 5.282 428 HE3 TRP 40 HE3 TRP 40 -6.434 -1.965 7.593 429 HZ2 TRP 40 HZ2 TRP 40 -3.004 -5.683 7.747 430 HZ3 TRP 40 HZ3 TRP 40 -4.802 -2.178 9.467 431 HH2 TRP 40 HH2 TRP 40 -3.130 -3.957 9.582 432 QB TRP 40 QB TRP 40 -7.694 -2.486 5.216 433 H LYS 41 H LYS 41 -8.780 -1.285 2.624 434 HA LYS 41 HA LYS 41 -11.670 -1.637 3.033 435 1HB LYS 41 1HB LYS 41 -9.888 0.772 3.338 436 2HB LYS 41 2HB LYS 41 -11.587 0.970 2.955 437 1HG LYS 41 1HG LYS 41 -11.416 -0.984 5.060 438 2HG LYS 41 2HG LYS 41 -10.375 0.351 5.511 439 1HD LYS 41 1HD LYS 41 -12.131 1.843 5.715 440 2HD LYS 41 2HD LYS 41 -13.032 1.136 4.389 441 1HE LYS 41 1HE LYS 41 -14.169 0.751 6.573 442 2HE LYS 41 2HE LYS 41 -13.730 -0.760 5.804 443 1HZ LYS 41 1HZ LYS 41 -11.676 -0.670 7.182 444 2HZ LYS 41 2HZ LYS 41 -12.336 0.572 8.012 445 3HZ LYS 41 3HZ LYS 41 -13.058 -0.892 8.024 446 QB LYS 41 QB LYS 41 -10.738 0.871 3.146 447 QD LYS 41 QD LYS 41 -12.582 1.489 5.052 448 QG LYS 41 QG LYS 41 -10.896 -0.317 5.286 449 QE LYS 41 QE LYS 41 -13.949 -0.004 6.188 450 QZ LYS 41 QZ LYS 41 -12.356 -0.330 7.739 451 H SER 42 H SER 42 -12.090 -2.637 1.034 452 HA SER 42 HA SER 42 -11.050 -2.211 -1.339 453 1HB SER 42 1HB SER 42 -13.398 -2.591 -2.294 454 2HB SER 42 2HB SER 42 -12.830 -3.783 -1.143 455 HG SER 42 HG SER 42 -14.566 -3.347 0.015 456 QB SER 42 QB SER 42 -13.114 -3.187 -1.718 457 HA PRO 43 HA PRO 43 -11.778 2.129 -1.865 458 1HB PRO 43 1HB PRO 43 -9.899 2.535 -3.807 459 2HB PRO 43 2HB PRO 43 -9.541 2.625 -2.094 460 1HG PRO 43 1HG PRO 43 -8.875 0.481 -4.017 461 2HG PRO 43 2HG PRO 43 -8.180 0.795 -2.440 462 1HD PRO 43 1HD PRO 43 -10.082 -1.248 -3.101 463 2HD PRO 43 2HD PRO 43 -9.474 -0.859 -1.504 464 QB PRO 43 QB PRO 43 -9.720 2.580 -2.950 465 QG PRO 43 QG PRO 43 -8.528 0.638 -3.229 466 QD PRO 43 QD PRO 43 -9.778 -1.054 -2.303 467 H THR 44 H THR 44 -13.788 0.658 -2.717 468 HA THR 44 HA THR 44 -13.998 0.641 -5.544 469 HB THR 44 HB THR 44 -15.761 0.162 -3.138 470 HG1 THR 44 HG1 THR 44 -14.898 -1.727 -3.949 471 1HG2 THR 44 3HG2 THR 44 -16.715 1.087 -5.798 472 2HG2 THR 44 1HG2 THR 44 -17.353 -0.506 -5.325 473 3HG2 THR 44 2HG2 THR 44 -17.620 0.908 -4.276 474 MG THR 44 QG2 THR 44 -17.229 0.496 -5.133 475 H THR 45 H THR 45 -15.620 2.739 -3.061 476 HA THR 45 HA THR 45 -15.938 4.727 -5.209 477 HB THR 45 HB THR 45 -17.945 5.389 -4.087 478 HG1 THR 45 HG1 THR 45 -16.930 3.721 -1.897 479 1HG2 THR 45 3HG2 THR 45 -17.851 2.812 -4.877 480 2HG2 THR 45 1HG2 THR 45 -17.978 2.523 -3.125 481 3HG2 THR 45 2HG2 THR 45 -19.248 3.440 -3.970 482 MG THR 45 QG2 THR 45 -18.359 2.925 -3.991 483 HA PRO 46 HA PRO 46 -13.437 7.508 -3.110 484 1HB PRO 46 1HB PRO 46 -14.603 9.931 -3.600 485 2HB PRO 46 2HB PRO 46 -13.615 9.088 -4.777 486 1HG PRO 46 1HG PRO 46 -16.555 9.386 -4.698 487 2HG PRO 46 2HG PRO 46 -15.533 8.932 -6.048 488 1HD PRO 46 1HD PRO 46 -17.162 7.182 -4.464 489 2HD PRO 46 2HD PRO 46 -16.052 6.715 -5.737 490 QB PRO 46 QB PRO 46 -14.109 9.509 -4.189 491 QG PRO 46 QG PRO 46 -16.044 9.159 -5.373 492 QD PRO 46 QD PRO 46 -16.607 6.948 -5.101 493 H GLY 47 H GLY 47 -12.950 8.629 -1.205 494 1HA GLY 47 2HA GLY 47 -15.287 9.093 0.520 495 2HA GLY 47 1HA GLY 47 -13.683 9.775 0.713 496 QA GLY 47 QA GLY 47 -14.485 9.434 0.617 497 H GLU 48 H GLU 48 -13.908 6.373 -0.181 498 HA GLU 48 HA GLU 48 -13.694 5.588 2.592 499 1HB GLU 48 1HB GLU 48 -13.670 3.668 0.253 500 2HB GLU 48 2HB GLU 48 -14.243 3.396 1.887 501 1HG GLU 48 1HG GLU 48 -15.556 5.338 -0.071 502 2HG GLU 48 2HG GLU 48 -16.086 3.684 0.163 503 QB GLU 48 QB GLU 48 -13.956 3.532 1.070 504 QG GLU 48 QG GLU 48 -15.821 4.511 0.046 505 H THR 49 H THR 49 -11.630 5.894 3.377 506 HA THR 49 HA THR 49 -9.318 5.838 1.816 507 HB THR 49 HB THR 49 -8.278 5.544 4.193 508 HG1 THR 49 HG1 THR 49 -10.173 5.962 5.764 509 1HG2 THR 49 1HG2 THR 49 -8.940 7.818 3.106 510 2HG2 THR 49 2HG2 THR 49 -10.434 7.699 4.065 511 3HG2 THR 49 3HG2 THR 49 -8.856 7.778 4.884 512 MG THR 49 QG2 THR 49 -9.410 7.765 4.018 513 H ALA 50 H ALA 50 -7.707 4.316 1.423 514 HA ALA 50 HA ALA 50 -8.619 1.555 1.844 515 1HB ALA 50 3HB ALA 50 -6.792 1.303 -0.100 516 2HB ALA 50 2HB ALA 50 -7.233 3.003 -0.385 517 3HB ALA 50 1HB ALA 50 -8.482 1.737 -0.449 518 MB ALA 50 QB ALA 50 -7.502 2.015 -0.311 519 H HIS 51 H HIS 51 -6.918 -0.060 2.315 520 HA HIS 51 HA HIS 51 -4.404 1.006 3.227 521 1HB HIS 51 1HB HIS 51 -5.858 -0.617 5.266 522 2HB HIS 51 2HB HIS 51 -4.597 0.581 5.475 523 HD1 HIS 51 HD1 HIS 51 -8.156 0.133 5.902 524 HD2 HIS 51 HD2 HIS 51 -5.661 3.356 4.909 525 HE1 HIS 51 HE1 HIS 51 -9.511 2.248 6.345 526 HE2 HIS 51 HE2 HIS 51 -7.908 4.196 5.768 527 QB HIS 51 QB HIS 51 -5.227 -0.018 5.370 528 H VAL 52 H VAL 52 -3.296 -0.288 1.768 529 HA VAL 52 HA VAL 52 -3.823 -3.169 1.993 530 HB VAL 52 HB VAL 52 -4.220 -2.781 -0.201 531 1HG1 VAL 52 2HG1 VAL 52 -2.228 -0.493 -0.098 532 2HG1 VAL 52 3HG1 VAL 52 -3.093 -1.012 -1.565 533 3HG1 VAL 52 1HG1 VAL 52 -4.003 -0.379 -0.172 534 1HG2 VAL 52 3HG2 VAL 52 -1.193 -2.978 -0.123 535 2HG2 VAL 52 1HG2 VAL 52 -2.359 -4.322 -0.180 536 3HG2 VAL 52 2HG2 VAL 52 -2.188 -3.233 -1.577 537 MG1 VAL 52 QG1 VAL 52 -3.108 -0.628 -0.612 538 MG2 VAL 52 QG2 VAL 52 -1.913 -3.511 -0.627 539 QG VAL 52 QQG VAL 52 -2.510 -2.069 -0.619 540 H ARG 53 H ARG 53 -2.069 -4.586 2.337 541 HA ARG 53 HA ARG 53 0.143 -3.282 3.591 542 1HB ARG 53 1HB ARG 53 -0.674 -6.208 3.283 543 2HB ARG 53 2HB ARG 53 0.818 -5.736 4.072 544 1HG ARG 53 1HG ARG 53 -0.964 -4.084 5.364 545 2HG ARG 53 2HG ARG 53 -2.002 -5.454 5.019 546 1HD ARG 53 1HD ARG 53 0.752 -5.904 6.221 547 2HD ARG 53 2HD ARG 53 -0.588 -5.436 7.251 548 HE ARG 53 HE ARG 53 -1.451 -7.597 5.586 549 1HH1 ARG 53 2HH1 ARG 53 -1.588 -9.723 6.412 550 2HH1 ARG 53 1HH1 ARG 53 -0.697 -10.160 7.831 551 1HH2 ARG 53 2HH2 ARG 53 0.740 -6.974 8.269 552 2HH2 ARG 53 1HH2 ARG 53 0.636 -8.586 8.895 553 QB ARG 53 QB ARG 53 0.072 -5.972 3.678 554 QG ARG 53 QG ARG 53 -1.483 -4.769 5.192 555 QD ARG 53 QD ARG 53 0.082 -5.670 6.736 556 QH1 ARG 53 QH1 ARG 53 -1.142 -9.942 7.121 557 QH2 ARG 53 QH2 ARG 53 0.688 -7.780 8.582 558 H VAL 54 H VAL 54 1.223 -2.332 1.723 559 HA VAL 54 HA VAL 54 2.077 -4.106 -0.384 560 HB VAL 54 HB VAL 54 1.395 -1.949 -1.044 561 1HG1 VAL 54 1HG1 VAL 54 3.091 -0.996 1.250 562 2HG1 VAL 54 2HG1 VAL 54 2.768 0.086 -0.126 563 3HG1 VAL 54 3HG1 VAL 54 1.415 -0.575 0.824 564 1HG2 VAL 54 1HG2 VAL 54 4.361 -2.418 -1.129 565 2HG2 VAL 54 2HG2 VAL 54 3.160 -2.480 -2.441 566 3HG2 VAL 54 3HG2 VAL 54 3.691 -0.909 -1.794 567 MG1 VAL 54 QG1 VAL 54 2.425 -0.495 0.649 568 MG2 VAL 54 QG2 VAL 54 3.737 -1.936 -1.788 569 QG VAL 54 QQG VAL 54 3.081 -1.215 -0.569 570 HA PRO 55 HA PRO 55 5.883 -5.038 1.452 571 1HB PRO 55 1HB PRO 55 7.255 -5.958 -0.725 572 2HB PRO 55 2HB PRO 55 6.109 -6.937 0.170 573 1HG PRO 55 1HG PRO 55 5.781 -5.651 -2.472 574 2HG PRO 55 2HG PRO 55 4.848 -6.952 -1.761 575 1HD PRO 55 1HD PRO 55 4.065 -4.202 -1.985 576 2HD PRO 55 2HD PRO 55 3.183 -5.480 -1.172 577 QB PRO 55 QB PRO 55 6.682 -6.448 -0.278 578 QG PRO 55 QG PRO 55 5.315 -6.301 -2.116 579 QD PRO 55 QD PRO 55 3.624 -4.841 -1.579 580 H PHE 56 H PHE 56 7.682 -4.021 2.158 581 HA PHE 56 HA PHE 56 8.124 -1.451 1.403 582 1HB PHE 56 1HB PHE 56 9.073 -3.094 3.299 583 2HB PHE 56 2HB PHE 56 10.371 -3.383 2.157 584 HD1 PHE 56 HD1 PHE 56 8.661 -0.702 4.066 585 HD2 PHE 56 HD2 PHE 56 12.160 -1.870 1.968 586 HE1 PHE 56 HE1 PHE 56 9.842 1.355 4.889 587 HE2 PHE 56 HE2 PHE 56 13.340 0.186 2.791 588 HZ PHE 56 HZ PHE 56 12.168 1.774 4.242 589 QB PHE 56 QB PHE 56 9.722 -3.238 2.728 590 QD PHE 56 QD PHE 56 10.411 -1.286 3.017 591 QE PHE 56 QE PHE 56 11.591 0.770 3.840 592 QR PHE 56 QR PHE 56 11.234 0.149 3.591 593 H VAL 57 H VAL 57 9.485 -4.457 -0.024 594 HA VAL 57 HA VAL 57 11.383 -3.137 -1.639 595 HB VAL 57 HB VAL 57 11.743 -5.396 -1.151 596 1HG1 VAL 57 2HG1 VAL 57 8.857 -5.758 -1.904 597 2HG1 VAL 57 3HG1 VAL 57 9.979 -7.132 -2.047 598 3HG1 VAL 57 1HG1 VAL 57 9.744 -6.337 -0.473 599 1HG2 VAL 57 3HG2 VAL 57 12.226 -4.693 -3.515 600 2HG2 VAL 57 1HG2 VAL 57 11.984 -6.443 -3.298 601 3HG2 VAL 57 2HG2 VAL 57 10.686 -5.444 -3.993 602 MG1 VAL 57 QG1 VAL 57 9.527 -6.409 -1.474 603 MG2 VAL 57 QG2 VAL 57 11.632 -5.526 -3.602 604 QG VAL 57 QQG VAL 57 10.579 -5.968 -2.538 605 H ASN 58 H ASN 58 7.920 -3.439 -1.757 606 HA ASN 58 HA ASN 58 8.019 -2.549 -4.533 607 1HB ASN 58 1HB ASN 58 6.820 -4.803 -3.925 608 2HB ASN 58 2HB ASN 58 5.588 -3.804 -3.179 609 1HD2 ASN 58 1HD2 ASN 58 6.530 -5.332 -5.945 610 2HD2 ASN 58 2HD2 ASN 58 5.588 -4.490 -7.130 611 QB ASN 58 QB ASN 58 6.204 -4.303 -3.552 612 QD ASN 58 QD2 ASN 58 6.059 -4.911 -6.537 613 H VAL 59 H VAL 59 8.013 -1.280 -1.604 614 HA VAL 59 HA VAL 59 5.533 0.135 -1.505 615 HB VAL 59 HB VAL 59 8.054 -0.034 0.055 616 1HG1 VAL 59 1HG1 VAL 59 6.219 2.382 0.132 617 2HG1 VAL 59 2HG1 VAL 59 7.359 1.953 1.431 618 3HG1 VAL 59 3HG1 VAL 59 7.969 2.352 -0.192 619 1HG2 VAL 59 2HG2 VAL 59 6.016 -1.383 0.554 620 2HG2 VAL 59 3HG2 VAL 59 6.535 -0.354 1.909 621 3HG2 VAL 59 1HG2 VAL 59 5.145 0.129 0.908 622 MG1 VAL 59 QG1 VAL 59 7.182 2.229 0.457 623 MG2 VAL 59 QG2 VAL 59 5.898 -0.536 1.123 624 QG VAL 59 QQG VAL 59 6.540 0.847 0.790 625 H GLN 60 H GLN 60 8.807 0.652 -2.821 626 HA GLN 60 HA GLN 60 8.481 3.411 -3.195 627 1HB GLN 60 1HB GLN 60 10.646 1.939 -3.183 628 2HB GLN 60 2HB GLN 60 10.295 1.650 -4.874 629 1HG GLN 60 1HG GLN 60 11.239 3.642 -5.397 630 2HG GLN 60 2HG GLN 60 9.987 4.462 -4.486 631 1HE2 GLN 60 1HE2 GLN 60 13.087 2.779 -4.171 632 2HE2 GLN 60 2HE2 GLN 60 13.701 3.678 -2.825 633 QB GLN 60 QB GLN 60 10.471 1.795 -4.029 634 QG GLN 60 QG GLN 60 10.613 4.052 -4.941 635 QE GLN 60 QE2 GLN 60 13.394 3.229 -3.498 636 H ALA 61 H ALA 61 8.546 0.702 -5.633 637 HA ALA 61 HA ALA 61 7.755 2.083 -7.819 638 1HB ALA 61 3HB ALA 61 6.505 -0.232 -8.294 639 2HB ALA 61 2HB ALA 61 7.393 -0.727 -6.833 640 3HB ALA 61 1HB ALA 61 8.281 -0.122 -8.252 641 MB ALA 61 QB ALA 61 7.393 -0.361 -7.793 642 H VAL 62 H VAL 62 5.761 0.997 -5.050 643 HA VAL 62 HA VAL 62 3.296 1.644 -6.310 644 HB VAL 62 HB VAL 62 4.151 1.047 -3.481 645 1HG1 VAL 62 3HG1 VAL 62 1.461 1.899 -4.533 646 2HG1 VAL 62 1HG1 VAL 62 1.579 0.778 -3.155 647 3HG1 VAL 62 2HG1 VAL 62 2.307 2.398 -3.049 648 1HG2 VAL 62 1HG2 VAL 62 3.923 -0.666 -5.527 649 2HG2 VAL 62 2HG2 VAL 62 3.487 -1.104 -3.858 650 3HG2 VAL 62 3HG2 VAL 62 2.219 -0.631 -5.014 651 MG1 VAL 62 QG1 VAL 62 1.782 1.692 -3.579 652 MG2 VAL 62 QG2 VAL 62 3.209 -0.801 -4.800 653 QG VAL 62 QQG VAL 62 2.496 0.446 -4.189 654 H LYS 63 H LYS 63 5.520 3.273 -3.974 655 HA LYS 63 HA LYS 63 3.925 5.477 -3.466 656 1HB LYS 63 1HB LYS 63 6.237 4.605 -2.486 657 2HB LYS 63 2HB LYS 63 6.902 5.761 -3.623 658 1HG LYS 63 1HG LYS 63 5.104 7.416 -2.606 659 2HG LYS 63 2HG LYS 63 5.050 6.276 -1.277 660 1HD LYS 63 1HD LYS 63 7.778 6.559 -1.602 661 2HD LYS 63 2HD LYS 63 7.225 8.153 -2.077 662 1HE LYS 63 1HE LYS 63 5.941 8.349 0.063 663 2HE LYS 63 2HE LYS 63 6.486 6.752 0.538 664 1HZ LYS 63 1HZ LYS 63 8.745 8.116 -0.144 665 2HZ LYS 63 2HZ LYS 63 7.859 9.198 0.699 666 3HZ LYS 63 3HZ LYS 63 8.243 7.759 1.368 667 QB LYS 63 QB LYS 63 6.570 5.183 -3.055 668 QD LYS 63 QD LYS 63 7.501 7.356 -1.839 669 QG LYS 63 QG LYS 63 5.077 6.846 -1.942 670 QE LYS 63 QE LYS 63 6.213 7.551 0.301 671 QZ LYS 63 QZ LYS 63 8.283 8.358 0.641 672 H VAL 64 H VAL 64 6.043 4.676 -6.230 673 HA VAL 64 HA VAL 64 5.923 7.295 -7.336 674 HB VAL 64 HB VAL 64 6.849 4.587 -8.239 675 1HG1 VAL 64 1HG1 VAL 64 6.125 6.892 -9.958 676 2HG1 VAL 64 2HG1 VAL 64 7.723 6.170 -10.263 677 3HG1 VAL 64 3HG1 VAL 64 6.260 5.160 -10.349 678 1HG2 VAL 64 2HG2 VAL 64 8.046 7.075 -7.213 679 2HG2 VAL 64 3HG2 VAL 64 8.651 5.402 -7.164 680 3HG2 VAL 64 1HG2 VAL 64 8.884 6.390 -8.626 681 MG1 VAL 64 QG1 VAL 64 6.703 6.074 -10.190 682 MG2 VAL 64 QG2 VAL 64 8.527 6.289 -7.667 683 QG VAL 64 QQG VAL 64 7.615 6.182 -8.929 684 H PHE 65 H PHE 65 4.011 4.285 -7.564 685 HA PHE 65 HA PHE 65 2.576 4.950 -9.858 686 1HB PHE 65 1HB PHE 65 2.766 2.729 -8.533 687 2HB PHE 65 2HB PHE 65 1.690 3.424 -7.337 688 HD1 PHE 65 HD1 PHE 65 1.647 3.335 -11.076 689 HD2 PHE 65 HD2 PHE 65 -0.389 2.452 -7.460 690 HE1 PHE 65 HE1 PHE 65 -0.333 2.527 -12.389 691 HE2 PHE 65 HE2 PHE 65 -2.370 1.643 -8.773 692 HZ PHE 65 HZ PHE 65 -2.318 1.690 -11.223 693 QB PHE 65 QB PHE 65 2.228 3.076 -7.935 694 QD PHE 65 QD PHE 65 0.629 2.894 -9.268 695 QE PHE 65 QE PHE 65 -1.352 2.085 -10.581 696 QR PHE 65 QR PHE 65 -0.753 2.329 -10.184 697 H LEU 66 H LEU 66 1.732 5.365 -6.344 698 HA LEU 66 HA LEU 66 -0.722 6.521 -6.683 699 1HB LEU 66 1HB LEU 66 1.415 6.882 -4.593 700 2HB LEU 66 2HB LEU 66 -0.135 7.693 -4.481 701 HG LEU 66 HG LEU 66 -0.381 4.808 -4.974 702 1HD1 LEU 66 3HD1 LEU 66 1.514 5.717 -2.959 703 2HD1 LEU 66 1HD1 LEU 66 0.183 4.769 -2.255 704 3HD1 LEU 66 2HD1 LEU 66 1.175 4.076 -3.560 705 1HD2 LEU 66 3HD2 LEU 66 -1.539 6.782 -2.999 706 2HD2 LEU 66 1HD2 LEU 66 -2.325 6.041 -4.413 707 3HD2 LEU 66 2HD2 LEU 66 -1.929 5.046 -2.992 708 MD1 LEU 66 QD1 LEU 66 0.957 4.854 -2.925 709 MD2 LEU 66 QD2 LEU 66 -1.931 5.956 -3.468 710 QB LEU 66 QB LEU 66 0.640 7.288 -4.537 711 QD LEU 66 QQD LEU 66 -0.487 5.405 -3.196 712 H GLU 67 H GLU 67 2.466 8.244 -6.378 713 HA GLU 67 HA GLU 67 1.476 10.752 -6.780 714 1HB GLU 67 1HB GLU 67 4.133 9.419 -7.126 715 2HB GLU 67 2HB GLU 67 3.947 10.978 -7.904 716 1HG GLU 67 1HG GLU 67 2.816 11.087 -5.218 717 2HG GLU 67 2HG GLU 67 4.453 10.463 -5.141 718 QB GLU 67 QB GLU 67 4.040 10.199 -7.515 719 QG GLU 67 QG GLU 67 3.634 10.775 -5.180 720 H SER 68 H SER 68 2.566 8.300 -9.200 721 HA SER 68 HA SER 68 2.439 9.876 -11.420 722 1HB SER 68 1HB SER 68 2.616 7.895 -12.629 723 2HB SER 68 2HB SER 68 3.150 7.356 -11.049 724 HG SER 68 HG SER 68 1.051 6.453 -12.511 725 QB SER 68 QB SER 68 2.883 7.626 -11.839 726 H GLN 69 H GLN 69 -0.164 8.048 -9.714 727 HA GLN 69 HA GLN 69 -2.091 8.860 -11.661 728 1HB GLN 69 1HB GLN 69 -3.698 7.643 -10.184 729 2HB GLN 69 2HB GLN 69 -2.321 6.659 -10.638 730 1HG GLN 69 1HG GLN 69 -1.246 7.035 -8.472 731 2HG GLN 69 2HG GLN 69 -2.447 8.230 -8.024 732 1HE2 GLN 69 1HE2 GLN 69 -4.805 7.284 -8.505 733 2HE2 GLN 69 2HE2 GLN 69 -5.137 5.776 -7.720 734 QB GLN 69 QB GLN 69 -3.009 7.151 -10.411 735 QG GLN 69 QG GLN 69 -1.847 7.632 -8.248 736 QE GLN 69 QE2 GLN 69 -4.971 6.530 -8.113 737 H GLY 70 H GLY 70 -0.477 10.744 -9.701 738 1HA GLY 70 2HA GLY 70 -2.193 12.843 -9.553 739 2HA GLY 70 1HA GLY 70 -0.862 12.578 -8.444 740 QA GLY 70 QA GLY 70 -1.528 12.710 -8.998 741 H ILE 71 H ILE 71 -1.561 10.426 -6.902 742 HA ILE 71 HA ILE 71 -4.196 11.157 -5.831 743 HB ILE 71 HB ILE 71 -3.848 8.835 -6.742 744 1HG1 ILE 71 1HG1 ILE 71 -4.516 8.622 -3.833 745 2HG1 ILE 71 2HG1 ILE 71 -5.467 9.714 -4.821 746 1HG2 ILE 71 3HG2 ILE 71 -1.477 8.854 -5.457 747 2HG2 ILE 71 1HG2 ILE 71 -2.480 8.022 -4.244 748 3HG2 ILE 71 2HG2 ILE 71 -2.356 7.369 -5.895 749 1HD1 ILE 71 1HD1 ILE 71 -5.605 7.673 -6.498 750 2HD1 ILE 71 2HD1 ILE 71 -5.165 6.715 -5.064 751 3HD1 ILE 71 3HD1 ILE 71 -6.648 7.698 -5.056 752 MG ILE 71 QG2 ILE 71 -2.104 8.082 -5.198 753 MD ILE 71 QD1 ILE 71 -5.806 7.362 -5.539 754 QG ILE 71 QG1 ILE 71 -4.992 9.168 -4.327 755 H ALA 72 H ALA 72 -4.210 10.474 -3.303 756 HA ALA 72 HA ALA 72 -1.738 11.546 -2.138 757 1HB ALA 72 2HB ALA 72 -3.322 13.370 -2.176 758 2HB ALA 72 3HB ALA 72 -4.617 12.325 -1.543 759 3HB ALA 72 1HB ALA 72 -3.237 12.759 -0.506 760 MB ALA 72 QB ALA 72 -3.725 12.818 -1.408 761 H TYR 73 H TYR 73 -0.875 10.133 -0.705 762 HA TYR 73 HA TYR 73 -2.743 8.377 0.726 763 1HB TYR 73 1HB TYR 73 -0.679 6.727 0.433 764 2HB TYR 73 2HB TYR 73 -1.741 6.955 -0.944 765 HD1 TYR 73 HD1 TYR 73 1.612 6.909 0.098 766 HD2 TYR 73 HD2 TYR 73 -1.033 8.974 -2.556 767 HE1 TYR 73 HE1 TYR 73 3.593 7.645 -1.316 768 HE2 TYR 73 HE2 TYR 73 0.957 9.704 -3.960 769 HH TYR 73 HH TYR 73 4.173 9.346 -2.850 770 QB TYR 73 QB TYR 73 -1.210 6.841 -0.255 771 QD TYR 73 QD TYR 73 0.290 7.941 -1.229 772 QE TYR 73 QE TYR 73 2.275 8.674 -2.638 773 QR TYR 73 QR TYR 73 1.282 8.308 -1.934 774 H SER 74 H SER 74 -0.920 7.014 2.313 775 HA SER 74 HA SER 74 0.981 8.774 3.413 776 1HB SER 74 1HB SER 74 -1.752 8.642 4.632 777 2HB SER 74 2HB SER 74 -0.405 8.563 5.750 778 HG SER 74 HG SER 74 -1.434 10.750 4.565 779 QB SER 74 QB SER 74 -1.079 8.603 5.191 780 H ILE 75 H ILE 75 1.994 7.738 5.452 781 HA ILE 75 HA ILE 75 1.847 4.838 5.118 782 HB ILE 75 HB ILE 75 3.960 6.597 6.370 783 1HG1 ILE 75 1HG1 ILE 75 4.774 5.082 4.041 784 2HG1 ILE 75 2HG1 ILE 75 3.392 6.087 3.654 785 1HG2 ILE 75 3HG2 ILE 75 3.607 3.636 6.220 786 2HG2 ILE 75 1HG2 ILE 75 5.245 4.306 6.023 787 3HG2 ILE 75 2HG2 ILE 75 4.315 4.648 7.502 788 1HD1 ILE 75 1HD1 ILE 75 4.625 8.029 4.806 789 2HD1 ILE 75 2HD1 ILE 75 6.057 6.974 4.830 790 3HD1 ILE 75 3HD1 ILE 75 5.332 7.454 3.277 791 MG ILE 75 QG2 ILE 75 4.389 4.196 6.582 792 MD ILE 75 QD1 ILE 75 5.338 7.486 4.304 793 QG ILE 75 QG1 ILE 75 4.083 5.585 3.848 794 H MET 76 H MET 76 1.017 3.534 6.680 795 HA MET 76 HA MET 76 0.035 4.891 9.033 796 1HB MET 76 1HB MET 76 -1.395 3.342 7.551 797 2HB MET 76 2HB MET 76 -0.402 2.003 8.092 798 1HG MET 76 1HG MET 76 -2.052 1.835 9.703 799 2HG MET 76 2HG MET 76 -1.044 3.010 10.525 800 1HE MET 76 1HE MET 76 -1.821 4.751 11.530 801 2HE MET 76 2HE MET 76 -3.297 5.704 11.247 802 3HE MET 76 3HE MET 76 -3.414 4.063 11.927 803 QB MET 76 QB MET 76 -0.898 2.673 7.821 804 QG MET 76 QG MET 76 -1.548 2.422 10.114 805 ME MET 76 QE MET 76 -2.844 4.840 11.568 806 H ILE 77 H ILE 77 1.532 1.635 8.366 807 HA ILE 77 HA ILE 77 2.995 1.975 10.891 808 HB ILE 77 HB ILE 77 1.319 0.286 11.129 809 1HG1 ILE 77 1HG1 ILE 77 2.755 -1.692 11.628 810 2HG1 ILE 77 2HG1 ILE 77 4.084 -0.913 10.791 811 1HG2 ILE 77 3HG2 ILE 77 0.908 -0.219 8.779 812 2HG2 ILE 77 1HG2 ILE 77 2.493 -1.021 8.659 813 3HG2 ILE 77 2HG2 ILE 77 1.225 -1.708 9.702 814 1HD1 ILE 77 2HD1 ILE 77 2.979 1.003 12.638 815 2HD1 ILE 77 3HD1 ILE 77 3.234 -0.529 13.507 816 3HD1 ILE 77 1HD1 ILE 77 4.592 0.250 12.662 817 MG ILE 77 QG2 ILE 77 1.542 -0.983 9.047 818 MD ILE 77 QD1 ILE 77 3.602 0.242 12.936 819 QG ILE 77 QG1 ILE 77 3.420 -1.302 11.210 820 H GLU 78 H GLU 78 5.167 1.000 10.957 821 HA GLU 78 HA GLU 78 6.278 0.779 8.269 822 1HB GLU 78 1HB GLU 78 6.775 2.934 9.750 823 2HB GLU 78 2HB GLU 78 7.919 1.879 10.554 824 1HG GLU 78 1HG GLU 78 8.522 1.310 7.941 825 2HG GLU 78 2HG GLU 78 7.973 2.965 7.765 826 QB GLU 78 QB GLU 78 7.347 2.407 10.152 827 QG GLU 78 QG GLU 78 8.247 2.138 7.853 828 H ASP 79 H ASP 79 8.983 0.397 9.797 829 HA ASP 79 HA ASP 79 8.678 -2.431 9.970 830 1HB ASP 79 1HB ASP 79 10.935 -0.450 9.978 831 2HB ASP 79 2HB ASP 79 11.249 -1.984 10.764 832 QB ASP 79 QB ASP 79 11.092 -1.217 10.371 833 H VAL 80 H VAL 80 7.157 -2.228 11.931 834 HA VAL 80 HA VAL 80 7.713 -1.088 14.309 835 HB VAL 80 HB VAL 80 5.714 -2.465 13.511 836 1HG1 VAL 80 1HG1 VAL 80 7.336 -4.537 13.269 837 2HG1 VAL 80 2HG1 VAL 80 6.934 -4.774 14.987 838 3HG1 VAL 80 3HG1 VAL 80 5.641 -4.755 13.765 839 1HG2 VAL 80 3HG2 VAL 80 6.487 -1.583 15.990 840 2HG2 VAL 80 1HG2 VAL 80 4.895 -2.279 15.602 841 3HG2 VAL 80 2HG2 VAL 80 6.168 -3.306 16.301 842 MG1 VAL 80 QG1 VAL 80 6.637 -4.689 14.007 843 MG2 VAL 80 QG2 VAL 80 5.850 -2.389 15.965 844 QG VAL 80 QQG VAL 80 6.243 -3.539 14.986 845 H GLN 81 H GLN 81 9.673 -1.012 15.306 846 HA GLN 81 HA GLN 81 11.616 -2.927 15.033 847 1HB GLN 81 1HB GLN 81 12.198 -0.719 15.794 848 2HB GLN 81 2HB GLN 81 11.114 -0.820 17.167 849 1HG GLN 81 1HG GLN 81 12.754 -1.728 18.440 850 2HG GLN 81 2HG GLN 81 12.925 -3.062 17.317 851 1HE2 GLN 81 1HE2 GLN 81 15.117 -2.300 18.564 852 2HE2 GLN 81 2HE2 GLN 81 16.213 -1.433 17.540 853 QB GLN 81 QB GLN 81 11.656 -0.770 16.480 854 QG GLN 81 QG GLN 81 12.840 -2.395 17.878 855 QE GLN 81 QE2 GLN 81 15.665 -1.867 18.052 No H/Q in entry = 855 Start of MODEL 12 1 H MET 1 H MET 1 8.900 -35.476 8.995 2 HA MET 1 HA MET 1 10.126 -33.431 10.037 3 1HB MET 1 1HB MET 1 8.662 -33.720 7.387 4 2HB MET 1 2HB MET 1 9.478 -32.207 7.732 5 1HG MET 1 1HG MET 1 11.419 -33.164 7.041 6 2HG MET 1 2HG MET 1 11.357 -34.204 8.451 7 1HE MET 1 3HE MET 1 12.872 -34.954 6.384 8 2HE MET 1 1HE MET 1 12.476 -36.639 6.802 9 3HE MET 1 2HE MET 1 12.301 -36.073 5.123 10 QB MET 1 QB MET 1 9.070 -32.964 7.560 11 QG MET 1 QG MET 1 11.388 -33.684 7.746 12 ME MET 1 QE MET 1 12.550 -35.889 6.103 13 H ARG 2 H ARG 2 9.804 -31.235 10.630 14 HA ARG 2 HA ARG 2 6.999 -30.609 11.048 15 1HB ARG 2 1HB ARG 2 7.701 -29.230 12.915 16 2HB ARG 2 2HB ARG 2 8.573 -30.743 13.055 17 1HG ARG 2 1HG ARG 2 10.263 -29.207 11.437 18 2HG ARG 2 2HG ARG 2 9.608 -28.019 12.547 19 1HD ARG 2 1HD ARG 2 11.092 -28.744 14.106 20 2HD ARG 2 2HD ARG 2 10.206 -30.256 14.182 21 HE ARG 2 HE ARG 2 12.053 -30.162 11.920 22 1HH1 ARG 2 2HH1 ARG 2 13.879 -31.535 11.963 23 2HH1 ARG 2 1HH1 ARG 2 14.370 -32.278 13.449 24 1HH2 ARG 2 2HH2 ARG 2 11.788 -30.837 15.364 25 2HH2 ARG 2 1HH2 ARG 2 13.172 -31.878 15.396 26 QB ARG 2 QB ARG 2 8.137 -29.987 12.985 27 QG ARG 2 QG ARG 2 9.936 -28.613 11.992 28 QD ARG 2 QD ARG 2 10.649 -29.500 14.144 29 QH1 ARG 2 QH1 ARG 2 14.124 -31.907 12.706 30 QH2 ARG 2 QH2 ARG 2 12.480 -31.357 15.380 31 H SER 3 H SER 3 6.191 -28.488 10.471 32 HA SER 3 HA SER 3 7.413 -27.419 8.196 33 1HB SER 3 1HB SER 3 4.907 -27.416 8.942 34 2HB SER 3 2HB SER 3 5.320 -25.986 9.867 35 HG SER 3 HG SER 3 4.674 -26.088 7.284 36 QB SER 3 QB SER 3 5.114 -26.701 9.404 37 H LEU 4 H LEU 4 7.996 -25.014 7.966 38 HA LEU 4 HA LEU 4 9.385 -24.135 10.401 39 1HB LEU 4 1HB LEU 4 11.067 -23.148 8.960 40 2HB LEU 4 2HB LEU 4 10.949 -24.882 8.735 41 HG LEU 4 HG LEU 4 9.293 -23.351 6.849 42 1HD1 LEU 4 2HD1 LEU 4 12.266 -22.872 6.994 43 2HD1 LEU 4 3HD1 LEU 4 11.366 -22.754 5.463 44 3HD1 LEU 4 1HD1 LEU 4 10.943 -21.693 6.828 45 1HD2 LEU 4 2HD2 LEU 4 10.089 -25.876 6.945 46 2HD2 LEU 4 3HD2 LEU 4 9.820 -25.033 5.400 47 3HD2 LEU 4 1HD2 LEU 4 11.472 -25.222 6.035 48 MD1 LEU 4 QD1 LEU 4 11.525 -22.439 6.429 49 MD2 LEU 4 QD2 LEU 4 10.461 -25.377 6.127 50 QB LEU 4 QB LEU 4 11.008 -24.015 8.847 51 QD LEU 4 QQD LEU 4 10.993 -23.908 6.278 52 H GLU 5 H GLU 5 9.762 -21.668 10.400 53 HA GLU 5 HA GLU 5 7.275 -20.465 9.468 54 1HB GLU 5 1HB GLU 5 7.788 -20.603 11.993 55 2HB GLU 5 2HB GLU 5 9.049 -19.419 11.708 56 1HG GLU 5 1HG GLU 5 7.344 -17.862 10.718 57 2HG GLU 5 2HG GLU 5 6.089 -19.041 11.044 58 QB GLU 5 QB GLU 5 8.418 -20.011 11.851 59 QG GLU 5 QG GLU 5 6.716 -18.452 10.881 60 H THR 6 H THR 6 7.341 -18.598 8.195 61 HA THR 6 HA THR 6 10.023 -17.512 7.651 62 HB THR 6 HB THR 6 9.126 -17.288 5.240 63 HG1 THR 6 HG1 THR 6 6.887 -17.646 5.713 64 1HG2 THR 6 3HG2 THR 6 10.587 -19.293 6.157 65 2HG2 THR 6 1HG2 THR 6 9.057 -20.201 6.109 66 3HG2 THR 6 2HG2 THR 6 9.726 -19.504 4.614 67 MG THR 6 QG2 THR 6 9.790 -19.666 5.627 68 H PHE 7 H PHE 7 9.850 -15.304 6.511 69 HA PHE 7 HA PHE 7 7.530 -13.786 6.828 70 1HB PHE 7 1HB PHE 7 8.792 -12.370 8.759 71 2HB PHE 7 2HB PHE 7 7.759 -13.722 9.183 72 HD1 PHE 7 HD1 PHE 7 11.274 -12.703 8.682 73 HD2 PHE 7 HD2 PHE 7 8.651 -15.668 10.208 74 HE1 PHE 7 HE1 PHE 7 13.202 -13.809 9.848 75 HE2 PHE 7 HE2 PHE 7 10.578 -16.774 11.374 76 HZ PHE 7 HZ PHE 7 12.831 -15.831 11.180 77 QB PHE 7 QB PHE 7 8.275 -13.046 8.971 78 QD PHE 7 QD PHE 7 9.962 -14.186 9.445 79 QE PHE 7 QE PHE 7 11.890 -15.291 10.611 80 QR PHE 7 QR PHE 7 11.307 -14.957 10.258 81 H VAL 8 H VAL 8 7.863 -11.528 6.201 82 HA VAL 8 HA VAL 8 10.567 -11.029 5.170 83 HB VAL 8 HB VAL 8 8.742 -11.796 3.495 84 1HG1 VAL 8 2HG1 VAL 8 7.363 -9.651 4.615 85 2HG1 VAL 8 3HG1 VAL 8 7.932 -9.027 3.049 86 3HG1 VAL 8 1HG1 VAL 8 6.950 -10.510 3.112 87 1HG2 VAL 8 1HG2 VAL 8 10.910 -9.881 3.333 88 2HG2 VAL 8 2HG2 VAL 8 10.402 -11.122 2.163 89 3HG2 VAL 8 3HG2 VAL 8 9.650 -9.509 2.132 90 MG1 VAL 8 QG1 VAL 8 7.415 -9.729 3.592 91 MG2 VAL 8 QG2 VAL 8 10.321 -10.170 2.543 92 QG VAL 8 QQG VAL 8 8.868 -9.950 3.067 93 H GLY 9 H GLY 9 9.482 -8.429 4.045 94 1HA GLY 9 2HA GLY 9 10.227 -6.485 5.463 95 2HA GLY 9 1HA GLY 9 8.998 -7.013 6.595 96 QA GLY 9 QA GLY 9 9.613 -6.749 6.029 97 H ASP 10 H ASP 10 6.696 -7.052 5.869 98 HA ASP 10 HA ASP 10 6.190 -5.574 3.455 99 1HB ASP 10 1HB ASP 10 3.719 -5.982 4.461 100 2HB ASP 10 2HB ASP 10 4.574 -7.215 3.558 101 QB ASP 10 QB ASP 10 4.146 -6.599 4.010 102 H GLN 11 H GLN 11 4.177 -3.905 3.775 103 HA GLN 11 HA GLN 11 4.135 -2.629 6.308 104 1HB GLN 11 1HB GLN 11 6.270 -1.745 5.281 105 2HB GLN 11 2HB GLN 11 5.322 -1.076 3.968 106 1HG GLN 11 1HG GLN 11 4.068 -0.253 6.423 107 2HG GLN 11 2HG GLN 11 5.787 0.032 6.602 108 1HE2 GLN 11 1HE2 GLN 11 6.608 1.811 5.797 109 2HE2 GLN 11 2HE2 GLN 11 5.888 2.854 4.616 110 QB GLN 11 QB GLN 11 5.796 -1.410 4.624 111 QG GLN 11 QG GLN 11 4.928 -0.111 6.512 112 QE GLN 11 QE2 GLN 11 6.248 2.333 5.207 113 H VAL 12 H VAL 12 2.292 -1.271 6.525 114 HA VAL 12 HA VAL 12 0.472 -1.450 4.248 115 HB VAL 12 HB VAL 12 -0.378 -0.477 6.928 116 1HG1 VAL 12 1HG1 VAL 12 -1.659 -1.207 4.585 117 2HG1 VAL 12 2HG1 VAL 12 -1.875 -2.635 5.626 118 3HG1 VAL 12 3HG1 VAL 12 -2.421 -1.036 6.186 119 1HG2 VAL 12 3HG2 VAL 12 0.455 -3.337 6.361 120 2HG2 VAL 12 1HG2 VAL 12 1.044 -2.259 7.650 121 3HG2 VAL 12 2HG2 VAL 12 -0.628 -2.870 7.694 122 MG1 VAL 12 QG1 VAL 12 -1.985 -1.626 5.466 123 MG2 VAL 12 QG2 VAL 12 0.290 -2.822 7.235 124 QG VAL 12 QQG VAL 12 -0.847 -2.224 6.351 125 H LEU 13 H LEU 13 -1.050 0.527 4.012 126 HA LEU 13 HA LEU 13 0.040 3.034 4.837 127 1HB LEU 13 1HB LEU 13 0.912 3.850 2.900 128 2HB LEU 13 2HB LEU 13 1.457 2.185 2.845 129 HG LEU 13 HG LEU 13 -0.956 2.066 1.498 130 1HD1 LEU 13 1HD1 LEU 13 -1.081 4.548 1.554 131 2HD1 LEU 13 2HD1 LEU 13 0.430 4.610 0.615 132 3HD1 LEU 13 3HD1 LEU 13 -1.027 3.870 -0.091 133 1HD2 LEU 13 2HD2 LEU 13 1.860 2.409 0.435 134 2HD2 LEU 13 3HD2 LEU 13 1.024 0.887 0.822 135 3HD2 LEU 13 1HD2 LEU 13 0.466 1.886 -0.541 136 MD1 LEU 13 QD1 LEU 13 -0.560 4.343 0.693 137 MD2 LEU 13 QD2 LEU 13 1.117 1.727 0.239 138 QB LEU 13 QB LEU 13 1.185 3.017 2.873 139 QD LEU 13 QQD LEU 13 0.278 3.035 0.466 140 H GLU 14 H GLU 14 -1.434 4.795 4.384 141 HA GLU 14 HA GLU 14 -4.092 3.754 3.889 142 1HB GLU 14 1HB GLU 14 -3.607 5.050 5.994 143 2HB GLU 14 2HB GLU 14 -3.243 6.459 5.017 144 1HG GLU 14 1HG GLU 14 -5.704 5.753 3.990 145 2HG GLU 14 2HG GLU 14 -5.884 5.220 5.650 146 QB GLU 14 QB GLU 14 -3.425 5.755 5.506 147 QG GLU 14 QG GLU 14 -5.794 5.487 4.820 148 H ILE 15 H ILE 15 -5.535 4.737 2.349 149 HA ILE 15 HA ILE 15 -4.274 6.657 0.537 150 HB ILE 15 HB ILE 15 -5.744 4.180 -0.367 151 1HG1 ILE 15 1HG1 ILE 15 -2.796 4.702 -0.736 152 2HG1 ILE 15 2HG1 ILE 15 -3.402 3.884 0.691 153 1HG2 ILE 15 1HG2 ILE 15 -4.462 6.489 -1.826 154 2HG2 ILE 15 2HG2 ILE 15 -4.746 4.912 -2.600 155 3HG2 ILE 15 3HG2 ILE 15 -6.119 5.854 -1.969 156 1HD1 ILE 15 2HD1 ILE 15 -4.420 2.913 -1.965 157 2HD1 ILE 15 3HD1 ILE 15 -2.731 2.541 -1.546 158 3HD1 ILE 15 1HD1 ILE 15 -4.052 1.994 -0.485 159 MG ILE 15 QG2 ILE 15 -5.109 5.752 -2.132 160 MD ILE 15 QD1 ILE 15 -3.735 2.483 -1.332 161 QG ILE 15 QG1 ILE 15 -3.099 4.293 -0.023 162 H VAL 16 H VAL 16 -5.687 8.196 -0.325 163 HA VAL 16 HA VAL 16 -8.501 7.885 0.420 164 HB VAL 16 HB VAL 16 -6.818 10.359 0.862 165 1HG1 VAL 16 1HG1 VAL 16 -9.734 9.842 0.854 166 2HG1 VAL 16 2HG1 VAL 16 -9.122 10.768 2.245 167 3HG1 VAL 16 3HG1 VAL 16 -8.832 11.353 0.589 168 1HG2 VAL 16 1HG2 VAL 16 -6.537 8.308 2.440 169 2HG2 VAL 16 2HG2 VAL 16 -6.801 9.918 3.150 170 3HG2 VAL 16 3HG2 VAL 16 -8.150 8.761 3.043 171 MG1 VAL 16 QG1 VAL 16 -9.229 10.654 1.229 172 MG2 VAL 16 QG2 VAL 16 -7.162 8.996 2.878 173 QG VAL 16 QQG VAL 16 -8.196 9.825 2.054 174 HA PRO 17 HA PRO 17 -8.299 8.973 -3.881 175 1HB PRO 17 1HB PRO 17 -10.530 7.597 -4.649 176 2HB PRO 17 2HB PRO 17 -8.925 6.896 -4.651 177 1HG PRO 17 1HG PRO 17 -11.142 6.442 -2.750 178 2HG PRO 17 2HG PRO 17 -9.714 5.463 -3.025 179 1HD PRO 17 1HD PRO 17 -10.174 7.249 -0.828 180 2HD PRO 17 2HD PRO 17 -8.703 6.359 -1.166 181 QB PRO 17 QB PRO 17 -9.728 7.246 -4.650 182 QG PRO 17 QG PRO 17 -10.428 5.952 -2.888 183 QD PRO 17 QD PRO 17 -9.439 6.804 -0.997 184 H SER 18 H SER 18 -10.234 9.709 -5.482 185 HA SER 18 HA SER 18 -12.204 11.130 -4.021 186 1HB SER 18 1HB SER 18 -10.293 12.666 -3.706 187 2HB SER 18 2HB SER 18 -9.998 12.694 -5.434 188 HG SER 18 HG SER 18 -12.573 13.352 -5.164 189 QB SER 18 QB SER 18 -10.146 12.680 -4.570 190 H ASN 19 H ASN 19 -10.347 10.695 -7.087 191 HA ASN 19 HA ASN 19 -12.818 11.166 -8.537 192 1HB ASN 19 1HB ASN 19 -9.883 11.355 -9.193 193 2HB ASN 19 2HB ASN 19 -10.939 10.865 -10.502 194 1HD2 ASN 19 1HD2 ASN 19 -9.370 13.358 -9.799 195 2HD2 ASN 19 2HD2 ASN 19 -10.479 14.673 -9.998 196 QB ASN 19 QB ASN 19 -10.411 11.110 -9.848 197 QD ASN 19 QD2 ASN 19 -9.925 14.016 -9.899 198 H GLU 20 H GLU 20 -12.808 9.647 -10.705 199 HA GLU 20 HA GLU 20 -12.846 6.993 -9.688 200 1HB GLU 20 1HB GLU 20 -13.759 8.397 -12.171 201 2HB GLU 20 2HB GLU 20 -13.434 6.682 -12.325 202 1HG GLU 20 1HG GLU 20 -15.618 6.509 -11.604 203 2HG GLU 20 2HG GLU 20 -14.864 6.600 -10.025 204 QB GLU 20 QB GLU 20 -13.596 7.540 -12.248 205 QG GLU 20 QG GLU 20 -15.241 6.555 -10.814 206 H GLU 21 H GLU 21 -10.897 8.911 -12.024 207 HA GLU 21 HA GLU 21 -9.499 6.873 -13.173 208 1HB GLU 21 1HB GLU 21 -9.175 8.994 -14.129 209 2HB GLU 21 2HB GLU 21 -8.892 9.770 -12.584 210 1HG GLU 21 1HG GLU 21 -6.786 9.559 -13.895 211 2HG GLU 21 2HG GLU 21 -6.688 8.681 -12.382 212 QB GLU 21 QB GLU 21 -9.033 9.382 -13.356 213 QG GLU 21 QG GLU 21 -6.737 9.120 -13.139 214 H GLN 22 H GLN 22 -8.727 8.729 -10.151 215 HA GLN 22 HA GLN 22 -6.349 7.457 -9.622 216 1HB GLN 22 1HB GLN 22 -8.369 9.000 -8.037 217 2HB GLN 22 2HB GLN 22 -7.226 8.046 -7.113 218 1HG GLN 22 1HG GLN 22 -5.336 9.206 -8.028 219 2HG GLN 22 2HG GLN 22 -6.274 9.875 -9.348 220 1HE2 GLN 22 1HE2 GLN 22 -6.224 11.984 -9.088 221 2HE2 GLN 22 2HE2 GLN 22 -6.657 12.864 -7.660 222 QB GLN 22 QB GLN 22 -7.797 8.523 -7.575 223 QG GLN 22 QG GLN 22 -5.805 9.541 -8.688 224 QE GLN 22 QE2 GLN 22 -6.440 12.424 -8.374 225 H ILE 23 H ILE 23 -9.739 6.570 -8.785 226 HA ILE 23 HA ILE 23 -8.984 4.368 -7.167 227 HB ILE 23 HB ILE 23 -11.502 5.462 -8.327 228 1HG1 ILE 23 1HG1 ILE 23 -10.658 4.684 -5.519 229 2HG1 ILE 23 2HG1 ILE 23 -10.599 6.302 -6.190 230 1HG2 ILE 23 2HG2 ILE 23 -11.636 3.042 -8.781 231 2HG2 ILE 23 3HG2 ILE 23 -11.330 2.714 -7.058 232 3HG2 ILE 23 1HG2 ILE 23 -12.809 3.572 -7.552 233 1HD1 ILE 23 3HD1 ILE 23 -13.149 5.948 -6.712 234 2HD1 ILE 23 1HD1 ILE 23 -13.032 4.621 -5.532 235 3HD1 ILE 23 2HD1 ILE 23 -12.657 6.288 -5.035 236 MG ILE 23 QG2 ILE 23 -11.925 3.109 -7.797 237 MD ILE 23 QD1 ILE 23 -12.946 5.619 -5.759 238 QG ILE 23 QG1 ILE 23 -10.628 5.493 -5.854 239 H LYS 24 H LYS 24 -9.705 4.875 -10.636 240 HA LYS 24 HA LYS 24 -9.856 2.132 -11.271 241 1HB LYS 24 1HB LYS 24 -10.860 3.437 -12.866 242 2HB LYS 24 2HB LYS 24 -9.660 4.709 -12.761 243 1HG LYS 24 1HG LYS 24 -8.102 3.540 -14.120 244 2HG LYS 24 2HG LYS 24 -8.853 1.986 -13.820 245 1HD LYS 24 1HD LYS 24 -10.947 2.995 -15.041 246 2HD LYS 24 2HD LYS 24 -9.845 4.232 -15.611 247 1HE LYS 24 1HE LYS 24 -9.151 2.831 -17.253 248 2HE LYS 24 2HE LYS 24 -8.502 1.749 -16.038 249 1HZ LYS 24 1HZ LYS 24 -11.137 1.241 -15.965 250 2HZ LYS 24 2HZ LYS 24 -10.891 1.510 -17.556 251 3HZ LYS 24 3HZ LYS 24 -10.033 0.357 -16.782 252 QB LYS 24 QB LYS 24 -10.260 4.073 -12.813 253 QD LYS 24 QD LYS 24 -10.396 3.614 -15.326 254 QG LYS 24 QG LYS 24 -8.477 2.763 -13.970 255 QE LYS 24 QE LYS 24 -8.827 2.290 -16.646 256 QZ LYS 24 QZ LYS 24 -10.687 1.036 -16.768 257 H ASN 25 H ASN 25 -7.247 4.224 -10.375 258 HA ASN 25 HA ASN 25 -5.252 2.975 -11.898 259 1HB ASN 25 1HB ASN 25 -5.308 5.263 -10.485 260 2HB ASN 25 2HB ASN 25 -4.684 4.244 -9.202 261 1HD2 ASN 25 1HD2 ASN 25 -4.216 4.780 -12.696 262 2HD2 ASN 25 2HD2 ASN 25 -2.484 4.753 -12.692 263 QB ASN 25 QB ASN 25 -4.996 4.754 -9.844 264 QD ASN 25 QD2 ASN 25 -3.350 4.766 -12.694 265 H LEU 26 H LEU 26 -6.174 2.849 -8.367 266 HA LEU 26 HA LEU 26 -4.432 0.882 -7.581 267 1HB LEU 26 1HB LEU 26 -6.198 2.405 -6.335 268 2HB LEU 26 2HB LEU 26 -7.194 0.968 -6.452 269 HG LEU 26 HG LEU 26 -4.925 -0.137 -5.468 270 1HD1 LEU 26 3HD1 LEU 26 -4.968 2.721 -4.482 271 2HD1 LEU 26 1HD1 LEU 26 -4.154 1.397 -3.615 272 3HD1 LEU 26 2HD1 LEU 26 -3.631 1.839 -5.258 273 1HD2 LEU 26 2HD2 LEU 26 -7.188 1.143 -3.914 274 2HD2 LEU 26 3HD2 LEU 26 -7.116 -0.516 -4.554 275 3HD2 LEU 26 1HD2 LEU 26 -6.024 -0.021 -3.239 276 MD1 LEU 26 QD1 LEU 26 -4.251 1.986 -4.452 277 MD2 LEU 26 QD2 LEU 26 -6.776 0.202 -3.903 278 QB LEU 26 QB LEU 26 -6.696 1.686 -6.393 279 QD LEU 26 QQD LEU 26 -5.514 1.094 -4.177 280 H LEU 27 H LEU 27 -7.895 0.430 -8.601 281 HA LEU 27 HA LEU 27 -8.040 -2.254 -8.506 282 1HB LEU 27 1HB LEU 27 -9.252 -0.162 -10.230 283 2HB LEU 27 2HB LEU 27 -9.443 -1.825 -10.748 284 HG LEU 27 HG LEU 27 -10.057 -1.617 -7.935 285 1HD1 LEU 27 3HD1 LEU 27 -11.579 0.285 -9.737 286 2HD1 LEU 27 1HD1 LEU 27 -12.060 -0.189 -8.090 287 3HD1 LEU 27 2HD1 LEU 27 -10.551 0.720 -8.351 288 1HD2 LEU 27 1HD2 LEU 27 -10.848 -3.105 -10.109 289 2HD2 LEU 27 2HD2 LEU 27 -11.607 -3.123 -8.500 290 3HD2 LEU 27 3HD2 LEU 27 -12.277 -2.093 -9.787 291 MD1 LEU 27 QD1 LEU 27 -11.397 0.272 -8.726 292 MD2 LEU 27 QD2 LEU 27 -11.577 -2.774 -9.466 293 QB LEU 27 QB LEU 27 -9.347 -0.993 -10.489 294 QD LEU 27 QQD LEU 27 -11.487 -1.251 -9.096 295 H GLN 28 H GLN 28 -6.708 -0.313 -11.266 296 HA GLN 28 HA GLN 28 -6.097 -2.451 -12.861 297 1HB GLN 28 1HB GLN 28 -5.935 0.200 -13.179 298 2HB GLN 28 2HB GLN 28 -4.250 -0.069 -12.777 299 1HG GLN 28 1HG GLN 28 -5.061 -2.100 -14.673 300 2HG GLN 28 2HG GLN 28 -5.576 -0.542 -15.288 301 1HE2 GLN 28 1HE2 GLN 28 -3.748 -1.821 -16.699 302 2HE2 GLN 28 2HE2 GLN 28 -2.170 -1.122 -16.551 303 QB GLN 28 QB GLN 28 -5.092 0.065 -12.978 304 QG GLN 28 QG GLN 28 -5.318 -1.321 -14.980 305 QE GLN 28 QE2 GLN 28 -2.959 -1.472 -16.625 306 H LEU 29 H LEU 29 -4.299 -0.997 -10.117 307 HA LEU 29 HA LEU 29 -1.912 -2.428 -10.564 308 1HB LEU 29 1HB LEU 29 -1.702 -0.512 -9.290 309 2HB LEU 29 2HB LEU 29 -3.107 -0.873 -8.306 310 HG LEU 29 HG LEU 29 -1.708 -2.854 -7.389 311 1HD1 LEU 29 3HD1 LEU 29 0.054 -2.394 -9.263 312 2HD1 LEU 29 1HD1 LEU 29 0.666 -1.171 -8.123 313 3HD1 LEU 29 2HD1 LEU 29 0.584 -2.881 -7.634 314 1HD2 LEU 29 1HD2 LEU 29 -1.509 0.049 -6.746 315 2HD2 LEU 29 2HD2 LEU 29 -2.144 -1.305 -5.781 316 3HD2 LEU 29 3HD2 LEU 29 -0.386 -1.063 -5.927 317 MD1 LEU 29 QD1 LEU 29 0.435 -2.149 -8.340 318 MD2 LEU 29 QD2 LEU 29 -1.346 -0.773 -6.151 319 QB LEU 29 QB LEU 29 -2.405 -0.693 -8.798 320 QD LEU 29 QQD LEU 29 -0.456 -1.461 -7.246 321 H GLU 30 H GLU 30 -4.498 -2.901 -8.047 322 HA GLU 30 HA GLU 30 -3.591 -5.253 -7.086 323 1HB GLU 30 1HB GLU 30 -5.686 -3.721 -6.491 324 2HB GLU 30 2HB GLU 30 -6.563 -4.880 -7.471 325 1HG GLU 30 1HG GLU 30 -4.757 -6.281 -5.653 326 2HG GLU 30 2HG GLU 30 -5.764 -5.166 -4.750 327 QB GLU 30 QB GLU 30 -6.125 -4.301 -6.981 328 QG GLU 30 QG GLU 30 -5.260 -5.724 -5.202 329 H ALA 31 H ALA 31 -5.510 -4.649 -10.058 330 HA ALA 31 HA ALA 31 -6.324 -7.188 -10.659 331 1HB ALA 31 2HB ALA 31 -5.573 -6.081 -13.104 332 2HB ALA 31 3HB ALA 31 -7.132 -5.839 -12.278 333 3HB ALA 31 1HB ALA 31 -5.817 -4.660 -12.060 334 MB ALA 31 QB ALA 31 -6.174 -5.527 -12.481 335 H GLN 32 H GLN 32 -3.119 -5.627 -11.285 336 HA GLN 32 HA GLN 32 -2.031 -7.693 -12.717 337 1HB GLN 32 1HB GLN 32 -0.892 -5.509 -10.969 338 2HB GLN 32 2HB GLN 32 0.188 -6.735 -11.602 339 1HG GLN 32 1HG GLN 32 -1.717 -5.093 -13.335 340 2HG GLN 32 2HG GLN 32 -0.035 -4.676 -13.073 341 1HE2 GLN 32 1HE2 GLN 32 1.557 -6.468 -13.489 342 2HE2 GLN 32 2HE2 GLN 32 1.325 -7.442 -14.901 343 QB GLN 32 QB GLN 32 -0.352 -6.122 -11.285 344 QG GLN 32 QG GLN 32 -0.876 -4.885 -13.204 345 QE GLN 32 QE2 GLN 32 1.441 -6.955 -14.195 346 H GLU 33 H GLU 33 -2.251 -9.809 -12.022 347 HA GLU 33 HA GLU 33 -2.498 -10.772 -9.583 348 1HB GLU 33 1HB GLU 33 -2.272 -11.957 -11.924 349 2HB GLU 33 2HB GLU 33 -0.593 -12.179 -11.474 350 1HG GLU 33 1HG GLU 33 -1.229 -13.397 -9.441 351 2HG GLU 33 2HG GLU 33 -2.924 -13.032 -9.697 352 QB GLU 33 QB GLU 33 -1.432 -12.068 -11.699 353 QG GLU 33 QG GLU 33 -2.077 -13.214 -9.569 354 H HIS 34 H HIS 34 0.743 -10.335 -11.186 355 HA HIS 34 HA HIS 34 2.370 -11.141 -9.228 356 1HB HIS 34 1HB HIS 34 2.900 -8.554 -10.687 357 2HB HIS 34 2HB HIS 34 4.052 -9.766 -10.164 358 HD1 HIS 34 HD1 HIS 34 3.621 -12.252 -11.435 359 HD2 HIS 34 HD2 HIS 34 2.264 -8.764 -13.331 360 HE1 HIS 34 HE1 HIS 34 3.310 -12.850 -13.897 361 HE2 HIS 34 HE2 HIS 34 2.424 -10.684 -14.999 362 QB HIS 34 QB HIS 34 3.476 -9.160 -10.426 363 H LEU 35 H LEU 35 0.615 -7.997 -9.373 364 HA LEU 35 HA LEU 35 1.629 -7.401 -6.694 365 1HB LEU 35 1HB LEU 35 0.516 -5.763 -8.940 366 2HB LEU 35 2HB LEU 35 0.403 -5.165 -7.297 367 HG LEU 35 HG LEU 35 2.993 -5.961 -8.656 368 1HD1 LEU 35 3HD1 LEU 35 1.485 -3.788 -9.325 369 2HD1 LEU 35 1HD1 LEU 35 2.527 -3.118 -8.046 370 3HD1 LEU 35 2HD1 LEU 35 3.255 -3.890 -9.474 371 1HD2 LEU 35 1HD2 LEU 35 2.442 -4.584 -6.014 372 2HD2 LEU 35 2HD2 LEU 35 3.158 -6.194 -6.264 373 3HD2 LEU 35 3HD2 LEU 35 4.047 -4.737 -6.771 374 MD1 LEU 35 QD1 LEU 35 2.422 -3.599 -8.948 375 MD2 LEU 35 QD2 LEU 35 3.216 -5.172 -6.350 376 QB LEU 35 QB LEU 35 0.460 -5.464 -8.118 377 QD LEU 35 QQD LEU 35 2.819 -4.385 -7.649 378 H GLN 36 H GLN 36 -0.043 -9.555 -6.649 379 HA GLN 36 HA GLN 36 -2.742 -8.844 -6.481 380 1HB GLN 36 1HB GLN 36 -1.061 -11.224 -5.798 381 2HB GLN 36 2HB GLN 36 -2.602 -11.110 -4.970 382 1HG GLN 36 1HG GLN 36 -3.101 -10.437 -7.711 383 2HG GLN 36 2HG GLN 36 -2.073 -11.857 -7.727 384 1HE2 GLN 36 1HE2 GLN 36 -5.158 -10.866 -7.758 385 2HE2 GLN 36 2HE2 GLN 36 -5.976 -12.211 -7.035 386 QB GLN 36 QB GLN 36 -1.832 -11.167 -5.384 387 QG GLN 36 QG GLN 36 -2.587 -11.147 -7.719 388 QE GLN 36 QE2 GLN 36 -5.567 -11.539 -7.396 389 H LEU 37 H LEU 37 -2.157 -6.771 -5.163 390 HA LEU 37 HA LEU 37 -1.575 -7.205 -2.395 391 1HB LEU 37 1HB LEU 37 -2.669 -4.632 -3.418 392 2HB LEU 37 2HB LEU 37 -1.418 -4.932 -2.228 393 HG LEU 37 HG LEU 37 -0.412 -5.918 -4.684 394 1HD1 LEU 37 3HD1 LEU 37 -1.737 -3.212 -4.987 395 2HD1 LEU 37 1HD1 LEU 37 -0.489 -3.853 -6.082 396 3HD1 LEU 37 2HD1 LEU 37 -2.054 -4.688 -5.928 397 1HD2 LEU 37 1HD2 LEU 37 0.524 -4.542 -2.553 398 2HD2 LEU 37 2HD2 LEU 37 1.408 -4.731 -4.086 399 3HD2 LEU 37 3HD2 LEU 37 0.476 -3.247 -3.773 400 MD1 LEU 37 QD1 LEU 37 -1.427 -3.918 -5.666 401 MD2 LEU 37 QD2 LEU 37 0.803 -4.173 -3.471 402 QB LEU 37 QB LEU 37 -2.044 -4.782 -2.823 403 QD LEU 37 QQD LEU 37 -0.312 -4.046 -4.568 404 H ASP 38 H ASP 38 -3.004 -6.839 -0.605 405 HA ASP 38 HA ASP 38 -5.755 -7.377 -1.367 406 1HB ASP 38 1HB ASP 38 -4.018 -8.051 0.989 407 2HB ASP 38 2HB ASP 38 -5.715 -7.776 1.331 408 QB ASP 38 QB ASP 38 -4.866 -7.914 1.160 409 H PHE 39 H PHE 39 -7.220 -5.683 -1.095 410 HA PHE 39 HA PHE 39 -6.308 -3.346 0.359 411 1HB PHE 39 1HB PHE 39 -8.776 -4.039 -1.348 412 2HB PHE 39 2HB PHE 39 -8.471 -2.437 -0.703 413 HD1 PHE 39 HD1 PHE 39 -8.713 -3.559 -3.655 414 HD2 PHE 39 HD2 PHE 39 -5.470 -2.374 -1.187 415 HE1 PHE 39 HE1 PHE 39 -7.366 -2.993 -5.696 416 HE2 PHE 39 HE2 PHE 39 -4.124 -1.808 -3.229 417 HZ PHE 39 HZ PHE 39 -5.088 -2.123 -5.459 418 QB PHE 39 QB PHE 39 -8.623 -3.238 -1.025 419 QD PHE 39 QD PHE 39 -7.092 -2.967 -2.421 420 QE PHE 39 QE PHE 39 -5.745 -2.400 -4.463 421 QR PHE 39 QR PHE 39 -6.152 -2.572 -3.845 422 H TRP 40 H TRP 40 -6.985 -2.812 2.386 423 HA TRP 40 HA TRP 40 -8.556 -4.595 3.870 424 1HB TRP 40 1HB TRP 40 -7.396 -1.878 4.309 425 2HB TRP 40 2HB TRP 40 -8.616 -2.459 5.424 426 HD1 TRP 40 HD1 TRP 40 -6.472 -5.286 4.182 427 HE1 TRP 40 HE1 TRP 40 -4.705 -6.085 5.972 428 HE3 TRP 40 HE3 TRP 40 -7.092 -1.337 7.324 429 HZ2 TRP 40 HZ2 TRP 40 -3.787 -4.999 8.446 430 HZ3 TRP 40 HZ3 TRP 40 -5.722 -1.284 9.406 431 HH2 TRP 40 HH2 TRP 40 -4.113 -3.030 9.988 432 QB TRP 40 QB TRP 40 -8.006 -2.169 4.867 433 H LYS 41 H LYS 41 -9.240 -1.173 2.815 434 HA LYS 41 HA LYS 41 -12.088 -1.859 2.936 435 1HB LYS 41 1HB LYS 41 -10.516 0.608 3.507 436 2HB LYS 41 2HB LYS 41 -12.092 0.826 2.772 437 1HG LYS 41 1HG LYS 41 -13.033 -0.738 4.585 438 2HG LYS 41 2HG LYS 41 -11.468 -0.651 5.367 439 1HD LYS 41 1HD LYS 41 -11.680 1.854 5.473 440 2HD LYS 41 2HD LYS 41 -13.268 1.737 4.738 441 1HE LYS 41 1HE LYS 41 -14.252 1.133 6.707 442 2HE LYS 41 2HE LYS 41 -13.023 -0.067 7.050 443 1HZ LYS 41 2HZ LYS 41 -11.931 2.494 7.306 444 2HZ LYS 41 3HZ LYS 41 -13.295 2.406 8.201 445 3HZ LYS 41 1HZ LYS 41 -12.087 1.333 8.444 446 QB LYS 41 QB LYS 41 -11.304 0.717 3.140 447 QD LYS 41 QD LYS 41 -12.474 1.796 5.106 448 QG LYS 41 QG LYS 41 -12.251 -0.695 4.976 449 QE LYS 41 QE LYS 41 -13.638 0.533 6.878 450 QZ LYS 41 QZ LYS 41 -12.438 2.078 7.984 451 H SER 42 H SER 42 -12.900 -2.472 1.006 452 HA SER 42 HA SER 42 -11.734 -2.323 -1.369 453 1HB SER 42 1HB SER 42 -14.045 -2.390 -2.370 454 2HB SER 42 2HB SER 42 -13.810 -3.530 -1.061 455 HG SER 42 HG SER 42 -15.111 -0.946 -0.872 456 QB SER 42 QB SER 42 -13.928 -2.960 -1.715 457 HA PRO 43 HA PRO 43 -11.687 2.094 -1.891 458 1HB PRO 43 1HB PRO 43 -9.585 2.181 -3.635 459 2HB PRO 43 2HB PRO 43 -9.389 2.241 -1.895 460 1HG PRO 43 1HG PRO 43 -8.870 -0.008 -3.742 461 2HG PRO 43 2HG PRO 43 -8.295 0.222 -2.103 462 1HD PRO 43 1HD PRO 43 -10.409 -1.520 -2.951 463 2HD PRO 43 2HD PRO 43 -9.911 -1.203 -1.301 464 QB PRO 43 QB PRO 43 -9.487 2.211 -2.765 465 QG PRO 43 QG PRO 43 -8.582 0.107 -2.922 466 QD PRO 43 QD PRO 43 -10.160 -1.362 -2.126 467 H THR 44 H THR 44 -12.725 -0.345 -3.758 468 HA THR 44 HA THR 44 -12.837 0.450 -6.314 469 HB THR 44 HB THR 44 -15.399 -0.397 -4.934 470 HG1 THR 44 HG1 THR 44 -12.930 -1.932 -5.336 471 1HG2 THR 44 2HG2 THR 44 -14.277 -0.583 -7.579 472 2HG2 THR 44 3HG2 THR 44 -14.303 -2.226 -6.898 473 3HG2 THR 44 1HG2 THR 44 -15.808 -1.280 -6.999 474 MG THR 44 QG2 THR 44 -14.796 -1.363 -7.159 475 H THR 45 H THR 45 -14.373 2.096 -3.575 476 HA THR 45 HA THR 45 -15.280 4.140 -5.490 477 HB THR 45 HB THR 45 -17.339 4.342 -4.274 478 HG1 THR 45 HG1 THR 45 -16.410 4.260 -2.141 479 1HG2 THR 45 1HG2 THR 45 -17.046 2.048 -5.509 480 2HG2 THR 45 2HG2 THR 45 -16.782 1.370 -3.885 481 3HG2 THR 45 3HG2 THR 45 -18.328 2.160 -4.279 482 MG THR 45 QG2 THR 45 -17.385 1.859 -4.558 483 HA PRO 46 HA PRO 46 -13.061 6.902 -3.073 484 1HB PRO 46 1HB PRO 46 -14.344 9.258 -3.595 485 2HB PRO 46 2HB PRO 46 -13.186 8.535 -4.692 486 1HG PRO 46 1HG PRO 46 -16.133 8.629 -4.905 487 2HG PRO 46 2HG PRO 46 -14.951 8.304 -6.158 488 1HD PRO 46 1HD PRO 46 -16.598 6.381 -4.812 489 2HD PRO 46 2HD PRO 46 -15.337 6.045 -5.980 490 QB PRO 46 QB PRO 46 -13.765 8.896 -4.143 491 QG PRO 46 QG PRO 46 -15.542 8.467 -5.531 492 QD PRO 46 QD PRO 46 -15.968 6.213 -5.396 493 H GLY 47 H GLY 47 -13.472 9.027 -1.553 494 1HA GLY 47 2HA GLY 47 -15.768 8.969 0.039 495 2HA GLY 47 1HA GLY 47 -14.215 9.655 0.472 496 QA GLY 47 QA GLY 47 -14.992 9.312 0.255 497 H GLU 48 H GLU 48 -13.158 6.694 -0.204 498 HA GLU 48 HA GLU 48 -13.675 5.783 2.509 499 1HB GLU 48 1HB GLU 48 -14.031 4.252 -0.069 500 2HB GLU 48 2HB GLU 48 -13.507 3.384 1.361 501 1HG GLU 48 1HG GLU 48 -15.572 4.873 2.412 502 2HG GLU 48 2HG GLU 48 -16.146 4.651 0.772 503 QB GLU 48 QB GLU 48 -13.769 3.818 0.646 504 QG GLU 48 QG GLU 48 -15.859 4.762 1.592 505 H THR 49 H THR 49 -11.788 5.471 3.611 506 HA THR 49 HA THR 49 -9.305 5.677 2.193 507 HB THR 49 HB THR 49 -8.484 5.318 4.653 508 HG1 THR 49 HG1 THR 49 -10.288 5.401 6.145 509 1HG2 THR 49 3HG2 THR 49 -9.859 7.588 3.430 510 2HG2 THR 49 1HG2 THR 49 -10.237 7.511 5.167 511 3HG2 THR 49 2HG2 THR 49 -8.543 7.602 4.628 512 MG THR 49 QG2 THR 49 -9.546 7.567 4.408 513 H ALA 50 H ALA 50 -7.727 4.143 1.824 514 HA ALA 50 HA ALA 50 -8.631 1.382 2.276 515 1HB ALA 50 1HB ALA 50 -7.695 0.788 0.198 516 2HB ALA 50 3HB ALA 50 -6.694 2.258 0.123 517 3HB ALA 50 2HB ALA 50 -8.453 2.365 -0.126 518 MB ALA 50 QB ALA 50 -7.614 1.804 0.065 519 H HIS 51 H HIS 51 -6.924 -0.200 2.756 520 HA HIS 51 HA HIS 51 -4.364 0.890 3.497 521 1HB HIS 51 1HB HIS 51 -5.729 -0.626 5.676 522 2HB HIS 51 2HB HIS 51 -4.449 0.568 5.769 523 HD1 HIS 51 HD1 HIS 51 -7.990 0.174 6.380 524 HD2 HIS 51 HD2 HIS 51 -5.516 3.325 5.134 525 HE1 HIS 51 HE1 HIS 51 -9.305 2.322 6.791 526 HE2 HIS 51 HE2 HIS 51 -7.713 4.225 6.058 527 QB HIS 51 QB HIS 51 -5.089 -0.029 5.723 528 H VAL 52 H VAL 52 -3.274 -0.477 2.114 529 HA VAL 52 HA VAL 52 -3.816 -3.343 2.485 530 HB VAL 52 HB VAL 52 -4.336 -3.066 0.300 531 1HG1 VAL 52 3HG1 VAL 52 -4.030 -0.626 0.286 532 2HG1 VAL 52 1HG1 VAL 52 -2.278 -0.845 0.061 533 3HG1 VAL 52 2HG1 VAL 52 -3.412 -1.369 -1.209 534 1HG2 VAL 52 3HG2 VAL 52 -2.058 -4.375 0.662 535 2HG2 VAL 52 1HG2 VAL 52 -2.709 -4.080 -0.968 536 3HG2 VAL 52 2HG2 VAL 52 -1.409 -3.047 -0.330 537 MG1 VAL 52 QG1 VAL 52 -3.240 -0.947 -0.288 538 MG2 VAL 52 QG2 VAL 52 -2.058 -3.834 -0.212 539 QG VAL 52 QQG VAL 52 -2.649 -2.390 -0.250 540 H ARG 53 H ARG 53 -2.032 -4.748 2.772 541 HA ARG 53 HA ARG 53 0.222 -3.398 3.884 542 1HB ARG 53 1HB ARG 53 -0.287 -6.399 3.558 543 2HB ARG 53 2HB ARG 53 0.926 -5.673 4.593 544 1HG ARG 53 1HG ARG 53 -0.587 -5.220 6.242 545 2HG ARG 53 2HG ARG 53 -1.756 -4.566 5.111 546 1HD ARG 53 1HD ARG 53 -2.698 -6.572 6.169 547 2HD ARG 53 2HD ARG 53 -2.432 -6.895 4.468 548 HE ARG 53 HE ARG 53 -0.866 -8.521 5.063 549 1HH1 ARG 53 2HH1 ARG 53 0.457 -9.736 6.474 550 2HH1 ARG 53 1HH1 ARG 53 0.717 -9.193 8.099 551 1HH2 ARG 53 2HH2 ARG 53 -1.285 -6.313 7.770 552 2HH2 ARG 53 1HH2 ARG 53 -0.282 -7.233 8.841 553 QB ARG 53 QB ARG 53 0.320 -6.036 4.076 554 QG ARG 53 QG ARG 53 -1.171 -4.893 5.677 555 QD ARG 53 QD ARG 53 -2.565 -6.733 5.319 556 QH1 ARG 53 QH1 ARG 53 0.587 -9.465 7.287 557 QH2 ARG 53 QH2 ARG 53 -0.784 -6.773 8.306 558 H VAL 54 H VAL 54 1.286 -2.463 2.029 559 HA VAL 54 HA VAL 54 2.020 -4.215 -0.144 560 HB VAL 54 HB VAL 54 2.494 -1.293 0.458 561 1HG1 VAL 54 3HG1 VAL 54 4.299 -2.544 -0.942 562 2HG1 VAL 54 1HG1 VAL 54 3.056 -2.560 -2.217 563 3HG1 VAL 54 2HG1 VAL 54 3.632 -1.011 -1.554 564 1HG2 VAL 54 2HG2 VAL 54 0.693 -2.705 -1.539 565 2HG2 VAL 54 3HG2 VAL 54 0.179 -1.830 -0.077 566 3HG2 VAL 54 1HG2 VAL 54 0.926 -0.944 -1.427 567 MG1 VAL 54 QG1 VAL 54 3.662 -2.038 -1.571 568 MG2 VAL 54 QG2 VAL 54 0.599 -1.826 -1.015 569 QG VAL 54 QQG VAL 54 2.131 -1.932 -1.293 570 HA PRO 55 HA PRO 55 5.885 -5.220 1.522 571 1HB PRO 55 1HB PRO 55 7.158 -6.119 -0.722 572 2HB PRO 55 2HB PRO 55 6.037 -7.100 0.202 573 1HG PRO 55 1HG PRO 55 5.621 -5.765 -2.403 574 2HG PRO 55 2HG PRO 55 4.700 -7.068 -1.678 575 1HD PRO 55 1HD PRO 55 3.943 -4.305 -1.826 576 2HD PRO 55 2HD PRO 55 3.078 -5.586 -1.000 577 QB PRO 55 QB PRO 55 6.598 -6.610 -0.260 578 QG PRO 55 QG PRO 55 5.161 -6.417 -2.040 579 QD PRO 55 QD PRO 55 3.511 -4.945 -1.413 580 H PHE 56 H PHE 56 7.717 -4.233 2.177 581 HA PHE 56 HA PHE 56 8.162 -1.657 1.446 582 1HB PHE 56 1HB PHE 56 9.162 -3.335 3.280 583 2HB PHE 56 2HB PHE 56 10.409 -3.631 2.085 584 HD1 PHE 56 HD1 PHE 56 9.249 -1.434 4.664 585 HD2 PHE 56 HD2 PHE 56 11.787 -1.658 1.271 586 HE1 PHE 56 HE1 PHE 56 10.496 0.592 5.463 587 HE2 PHE 56 HE2 PHE 56 13.035 0.368 2.069 588 HZ PHE 56 HZ PHE 56 12.373 1.469 4.155 589 QB PHE 56 QB PHE 56 9.785 -3.483 2.682 590 QD PHE 56 QD PHE 56 10.518 -1.546 2.967 591 QE PHE 56 QE PHE 56 11.765 0.480 3.766 592 QR PHE 56 QR PHE 56 11.388 -0.133 3.524 593 H VAL 57 H VAL 57 9.458 -4.654 -0.065 594 HA VAL 57 HA VAL 57 11.301 -3.332 -1.732 595 HB VAL 57 HB VAL 57 11.646 -5.604 -1.301 596 1HG1 VAL 57 1HG1 VAL 57 8.728 -5.911 -1.941 597 2HG1 VAL 57 2HG1 VAL 57 9.822 -7.299 -2.157 598 3HG1 VAL 57 3HG1 VAL 57 9.663 -6.529 -0.559 599 1HG2 VAL 57 1HG2 VAL 57 10.602 -5.212 -4.117 600 2HG2 VAL 57 2HG2 VAL 57 12.286 -5.153 -3.541 601 3HG2 VAL 57 3HG2 VAL 57 11.416 -6.705 -3.588 602 MG1 VAL 57 QG1 VAL 57 9.404 -6.579 -1.552 603 MG2 VAL 57 QG2 VAL 57 11.435 -5.690 -3.749 604 QG VAL 57 QQG VAL 57 10.419 -6.135 -2.651 605 H ASN 58 H ASN 58 7.828 -3.614 -1.742 606 HA ASN 58 HA ASN 58 7.836 -2.685 -4.506 607 1HB ASN 58 1HB ASN 58 6.606 -4.904 -3.882 608 2HB ASN 58 2HB ASN 58 5.448 -3.896 -3.036 609 1HD2 ASN 58 1HD2 ASN 58 3.786 -3.152 -4.115 610 2HD2 ASN 58 2HD2 ASN 58 3.623 -3.034 -5.835 611 QB ASN 58 QB ASN 58 6.027 -4.400 -3.459 612 QD ASN 58 QD2 ASN 58 3.704 -3.093 -4.975 613 H VAL 59 H VAL 59 7.972 -1.446 -1.555 614 HA VAL 59 HA VAL 59 5.546 0.052 -1.375 615 HB VAL 59 HB VAL 59 8.097 -0.223 0.121 616 1HG1 VAL 59 2HG1 VAL 59 6.506 2.312 -0.015 617 2HG1 VAL 59 3HG1 VAL 59 7.152 1.794 1.560 618 3HG1 VAL 59 1HG1 VAL 59 8.257 2.070 0.193 619 1HG2 VAL 59 1HG2 VAL 59 6.032 -1.519 0.650 620 2HG2 VAL 59 2HG2 VAL 59 6.614 -0.525 2.007 621 3HG2 VAL 59 3HG2 VAL 59 5.215 0.012 1.046 622 MG1 VAL 59 QG1 VAL 59 7.305 2.058 0.579 623 MG2 VAL 59 QG2 VAL 59 5.954 -0.677 1.234 624 QG VAL 59 QQG VAL 59 6.629 0.690 0.907 625 H GLN 60 H GLN 60 8.741 0.415 -2.867 626 HA GLN 60 HA GLN 60 8.512 3.213 -3.173 627 1HB GLN 60 1HB GLN 60 10.635 1.662 -3.200 628 2HB GLN 60 2HB GLN 60 10.261 1.438 -4.897 629 1HG GLN 60 1HG GLN 60 11.772 3.291 -4.839 630 2HG GLN 60 2HG GLN 60 10.193 4.004 -5.103 631 1HE2 GLN 60 1HE2 GLN 60 9.659 5.643 -3.888 632 2HE2 GLN 60 2HE2 GLN 60 10.288 6.043 -2.324 633 QB GLN 60 QB GLN 60 10.448 1.550 -4.048 634 QG GLN 60 QG GLN 60 10.982 3.647 -4.971 635 QE GLN 60 QE2 GLN 60 9.974 5.843 -3.106 636 H ALA 61 H ALA 61 8.440 0.484 -5.588 637 HA ALA 61 HA ALA 61 7.651 1.914 -7.765 638 1HB ALA 61 1HB ALA 61 6.750 -0.238 -8.590 639 2HB ALA 61 3HB ALA 61 6.804 -0.893 -6.936 640 3HB ALA 61 2HB ALA 61 8.316 -0.460 -7.772 641 MB ALA 61 QB ALA 61 7.290 -0.530 -7.766 642 H VAL 62 H VAL 62 5.725 0.847 -4.952 643 HA VAL 62 HA VAL 62 3.235 1.528 -6.183 644 HB VAL 62 HB VAL 62 4.079 0.838 -3.367 645 1HG1 VAL 62 2HG1 VAL 62 1.542 1.943 -4.374 646 2HG1 VAL 62 3HG1 VAL 62 1.362 0.434 -3.447 647 3HG1 VAL 62 1HG1 VAL 62 2.173 1.838 -2.712 648 1HG2 VAL 62 3HG2 VAL 62 4.131 -0.905 -5.254 649 2HG2 VAL 62 1HG2 VAL 62 3.219 -1.318 -3.781 650 3HG2 VAL 62 2HG2 VAL 62 2.353 -0.789 -5.244 651 MG1 VAL 62 QG1 VAL 62 1.692 1.405 -3.511 652 MG2 VAL 62 QG2 VAL 62 3.234 -1.004 -4.760 653 QG VAL 62 QQG VAL 62 2.463 0.201 -4.135 654 H LYS 63 H LYS 63 5.534 3.035 -3.848 655 HA LYS 63 HA LYS 63 3.948 5.234 -3.222 656 1HB LYS 63 1HB LYS 63 6.833 4.516 -3.024 657 2HB LYS 63 2HB LYS 63 6.430 6.217 -2.902 658 1HG LYS 63 1HG LYS 63 4.489 4.886 -1.311 659 2HG LYS 63 2HG LYS 63 6.001 4.078 -0.952 660 1HD LYS 63 1HD LYS 63 7.080 6.253 -0.441 661 2HD LYS 63 2HD LYS 63 5.614 7.107 -0.881 662 1HE LYS 63 1HE LYS 63 4.607 6.658 1.126 663 2HE LYS 63 2HE LYS 63 5.120 4.982 1.115 664 1HZ LYS 63 1HZ LYS 63 7.309 6.724 1.482 665 2HZ LYS 63 2HZ LYS 63 6.170 6.976 2.624 666 3HZ LYS 63 3HZ LYS 63 6.807 5.486 2.421 667 QB LYS 63 QB LYS 63 6.631 5.366 -2.963 668 QD LYS 63 QD LYS 63 6.347 6.680 -0.661 669 QG LYS 63 QG LYS 63 5.245 4.482 -1.131 670 QE LYS 63 QE LYS 63 4.863 5.820 1.121 671 QZ LYS 63 QZ LYS 63 6.762 6.395 2.175 672 H VAL 64 H VAL 64 6.003 4.476 -6.030 673 HA VAL 64 HA VAL 64 5.959 7.158 -7.015 674 HB VAL 64 HB VAL 64 6.837 4.478 -8.059 675 1HG1 VAL 64 2HG1 VAL 64 6.112 6.834 -9.636 676 2HG1 VAL 64 3HG1 VAL 64 7.804 6.339 -9.879 677 3HG1 VAL 64 1HG1 VAL 64 6.487 5.175 -10.160 678 1HG2 VAL 64 2HG2 VAL 64 8.158 5.940 -6.373 679 2HG2 VAL 64 3HG2 VAL 64 9.016 5.280 -7.786 680 3HG2 VAL 64 1HG2 VAL 64 8.497 6.982 -7.777 681 MG1 VAL 64 QG1 VAL 64 6.801 6.116 -9.891 682 MG2 VAL 64 QG2 VAL 64 8.557 6.067 -7.312 683 QG VAL 64 QQG VAL 64 7.679 6.092 -8.602 684 H PHE 65 H PHE 65 4.002 4.195 -7.352 685 HA PHE 65 HA PHE 65 2.600 4.967 -9.641 686 1HB PHE 65 1HB PHE 65 2.778 2.695 -8.358 687 2HB PHE 65 2HB PHE 65 1.623 3.352 -7.215 688 HD1 PHE 65 HD1 PHE 65 1.793 3.425 -10.949 689 HD2 PHE 65 HD2 PHE 65 -0.411 2.311 -7.498 690 HE1 PHE 65 HE1 PHE 65 -0.095 2.641 -12.407 691 HE2 PHE 65 HE2 PHE 65 -2.298 1.528 -8.955 692 HZ PHE 65 HZ PHE 65 -2.117 1.703 -11.392 693 QB PHE 65 QB PHE 65 2.201 3.023 -7.786 694 QD PHE 65 QD PHE 65 0.691 2.868 -9.223 695 QE PHE 65 QE PHE 65 -1.197 2.085 -10.681 696 QR PHE 65 QR PHE 65 -0.626 2.322 -10.240 697 H LEU 66 H LEU 66 1.651 5.151 -6.130 698 HA LEU 66 HA LEU 66 -0.762 6.352 -6.415 699 1HB LEU 66 1HB LEU 66 1.384 6.571 -4.327 700 2HB LEU 66 2HB LEU 66 -0.102 7.489 -4.179 701 HG LEU 66 HG LEU 66 -0.663 4.698 -4.765 702 1HD1 LEU 66 1HD1 LEU 66 1.617 4.646 -3.502 703 2HD1 LEU 66 2HD1 LEU 66 0.627 5.052 -2.079 704 3HD1 LEU 66 3HD1 LEU 66 0.296 3.565 -2.999 705 1HD2 LEU 66 1HD2 LEU 66 -1.446 6.746 -2.716 706 2HD2 LEU 66 2HD2 LEU 66 -2.444 5.899 -3.922 707 3HD2 LEU 66 3HD2 LEU 66 -1.870 5.034 -2.476 708 MD1 LEU 66 QD1 LEU 66 0.847 4.421 -2.860 709 MD2 LEU 66 QD2 LEU 66 -1.920 5.893 -3.038 710 QB LEU 66 QB LEU 66 0.641 7.030 -4.253 711 QD LEU 66 QQD LEU 66 -0.537 5.157 -2.949 712 H GLU 67 H GLU 67 2.434 8.055 -6.116 713 HA GLU 67 HA GLU 67 1.405 10.580 -6.433 714 1HB GLU 67 1HB GLU 67 4.089 9.292 -6.750 715 2HB GLU 67 2HB GLU 67 3.897 10.867 -7.494 716 1HG GLU 67 1HG GLU 67 2.745 10.765 -4.775 717 2HG GLU 67 2HG GLU 67 4.454 10.377 -4.788 718 QB GLU 67 QB GLU 67 3.993 10.080 -7.122 719 QG GLU 67 QG GLU 67 3.600 10.571 -4.782 720 H SER 68 H SER 68 2.612 8.217 -8.891 721 HA SER 68 HA SER 68 2.494 9.849 -11.070 722 1HB SER 68 1HB SER 68 2.751 7.907 -12.327 723 2HB SER 68 2HB SER 68 3.260 7.337 -10.749 724 HG SER 68 HG SER 68 1.213 6.432 -12.287 725 QB SER 68 QB SER 68 3.005 7.622 -11.538 726 H GLN 69 H GLN 69 -0.101 7.889 -9.497 727 HA GLN 69 HA GLN 69 -2.003 8.674 -11.465 728 1HB GLN 69 1HB GLN 69 -3.613 7.431 -10.020 729 2HB GLN 69 2HB GLN 69 -2.197 6.477 -10.412 730 1HG GLN 69 1HG GLN 69 -1.202 6.924 -8.220 731 2HG GLN 69 2HG GLN 69 -2.455 8.085 -7.831 732 1HE2 GLN 69 1HE2 GLN 69 -4.755 6.981 -8.507 733 2HE2 GLN 69 2HE2 GLN 69 -5.066 5.500 -7.663 734 QB GLN 69 QB GLN 69 -2.905 6.954 -10.216 735 QG GLN 69 QG GLN 69 -1.828 7.505 -8.026 736 QE GLN 69 QE2 GLN 69 -4.911 6.240 -8.085 737 H GLY 70 H GLY 70 -0.466 10.526 -9.325 738 1HA GLY 70 2HA GLY 70 -2.237 12.624 -9.287 739 2HA GLY 70 1HA GLY 70 -0.921 12.391 -8.154 740 QA GLY 70 QA GLY 70 -1.579 12.508 -8.721 741 H ILE 71 H ILE 71 -1.609 10.211 -6.633 742 HA ILE 71 HA ILE 71 -4.271 10.899 -5.600 743 HB ILE 71 HB ILE 71 -3.856 8.583 -6.527 744 1HG1 ILE 71 1HG1 ILE 71 -4.632 8.331 -3.653 745 2HG1 ILE 71 2HG1 ILE 71 -5.547 9.447 -4.646 746 1HG2 ILE 71 3HG2 ILE 71 -1.528 8.574 -5.268 747 2HG2 ILE 71 1HG2 ILE 71 -2.511 7.891 -3.951 748 3HG2 ILE 71 2HG2 ILE 71 -2.455 7.078 -5.534 749 1HD1 ILE 71 3HD1 ILE 71 -5.508 7.359 -6.362 750 2HD1 ILE 71 1HD1 ILE 71 -5.341 6.459 -4.834 751 3HD1 ILE 71 2HD1 ILE 71 -6.746 7.520 -5.093 752 MG ILE 71 QG2 ILE 71 -2.164 7.848 -4.918 753 MD ILE 71 QD1 ILE 71 -5.865 7.113 -5.430 754 QG ILE 71 QG1 ILE 71 -5.089 8.889 -4.149 755 H ALA 72 H ALA 72 -4.298 10.160 -3.074 756 HA ALA 72 HA ALA 72 -1.873 11.298 -1.869 757 1HB ALA 72 3HB ALA 72 -3.152 13.104 -1.395 758 2HB ALA 72 2HB ALA 72 -3.935 12.057 -0.188 759 3HB ALA 72 1HB ALA 72 -4.662 12.254 -1.801 760 MB ALA 72 QB ALA 72 -3.917 12.472 -1.128 761 H TYR 73 H TYR 73 -0.959 9.882 -0.475 762 HA TYR 73 HA TYR 73 -2.763 7.975 0.853 763 1HB TYR 73 1HB TYR 73 -0.487 6.564 0.668 764 2HB TYR 73 2HB TYR 73 -1.547 6.647 -0.724 765 HD1 TYR 73 HD1 TYR 73 1.769 7.068 0.392 766 HD2 TYR 73 HD2 TYR 73 -1.066 8.675 -2.381 767 HE1 TYR 73 HE1 TYR 73 3.665 8.026 -1.004 768 HE2 TYR 73 HE2 TYR 73 0.841 9.627 -3.767 769 HH TYR 73 HH TYR 73 3.503 10.326 -2.925 770 QB TYR 73 QB TYR 73 -1.017 6.606 -0.028 771 QD TYR 73 QD TYR 73 0.351 7.871 -0.995 772 QE TYR 73 QE TYR 73 2.253 8.827 -2.385 773 QR TYR 73 QR TYR 73 1.302 8.349 -1.690 774 H SER 74 H SER 74 -0.936 6.738 2.530 775 HA SER 74 HA SER 74 0.672 8.693 3.805 776 1HB SER 74 1HB SER 74 -1.843 9.038 4.559 777 2HB SER 74 2HB SER 74 -1.561 7.614 5.540 778 HG SER 74 HG SER 74 -0.142 8.695 6.812 779 QB SER 74 QB SER 74 -1.702 8.326 5.049 780 H ILE 75 H ILE 75 1.871 7.706 5.697 781 HA ILE 75 HA ILE 75 2.093 4.823 5.269 782 HB ILE 75 HB ILE 75 3.990 6.817 6.514 783 1HG1 ILE 75 1HG1 ILE 75 5.303 5.888 4.370 784 2HG1 ILE 75 2HG1 ILE 75 3.668 5.698 3.765 785 1HG2 ILE 75 3HG2 ILE 75 3.890 4.222 7.209 786 2HG2 ILE 75 1HG2 ILE 75 4.905 4.099 5.752 787 3HG2 ILE 75 2HG2 ILE 75 5.404 5.152 7.097 788 1HD1 ILE 75 2HD1 ILE 75 3.181 8.085 4.295 789 2HD1 ILE 75 3HD1 ILE 75 4.842 8.277 4.907 790 3HD1 ILE 75 1HD1 ILE 75 4.563 7.930 3.183 791 MG ILE 75 QG2 ILE 75 4.733 4.491 6.686 792 MD ILE 75 QD1 ILE 75 4.195 8.097 4.128 793 QG ILE 75 QG1 ILE 75 4.485 5.793 4.067 794 H MET 76 H MET 76 0.874 3.614 6.618 795 HA MET 76 HA MET 76 0.020 4.691 9.094 796 1HB MET 76 1HB MET 76 -1.083 2.923 7.409 797 2HB MET 76 2HB MET 76 -0.159 1.751 8.326 798 1HG MET 76 1HG MET 76 -2.173 3.726 9.511 799 2HG MET 76 2HG MET 76 -2.469 2.021 9.236 800 1HE MET 76 3HE MET 76 -2.872 3.662 11.618 801 2HE MET 76 1HE MET 76 -2.127 2.913 13.051 802 3HE MET 76 2HE MET 76 -1.379 4.346 12.306 803 QB MET 76 QB MET 76 -0.621 2.337 7.867 804 QG MET 76 QG MET 76 -2.321 2.874 9.374 805 ME MET 76 QE MET 76 -2.126 3.640 12.325 806 H ILE 77 H ILE 77 1.776 1.589 8.342 807 HA ILE 77 HA ILE 77 3.241 2.001 10.855 808 HB ILE 77 HB ILE 77 1.739 0.187 11.131 809 1HG1 ILE 77 1HG1 ILE 77 4.570 -0.759 10.615 810 2HG1 ILE 77 2HG1 ILE 77 3.908 -0.161 12.124 811 1HG2 ILE 77 3HG2 ILE 77 1.249 -0.241 8.762 812 2HG2 ILE 77 1HG2 ILE 77 2.844 -1.008 8.575 813 3HG2 ILE 77 2HG2 ILE 77 1.627 -1.738 9.648 814 1HD1 ILE 77 2HD1 ILE 77 2.125 -2.188 11.532 815 2HD1 ILE 77 3HD1 ILE 77 3.647 -2.839 10.878 816 3HD1 ILE 77 1HD1 ILE 77 3.544 -2.367 12.590 817 MG ILE 77 QG2 ILE 77 1.906 -0.995 8.995 818 MD ILE 77 QD1 ILE 77 3.105 -2.465 11.667 819 QG ILE 77 QG1 ILE 77 4.239 -0.460 11.369 820 H GLU 78 H GLU 78 5.487 1.282 10.879 821 HA GLU 78 HA GLU 78 6.599 0.775 8.263 822 1HB GLU 78 1HB GLU 78 6.562 3.344 8.955 823 2HB GLU 78 2HB GLU 78 7.930 2.894 9.955 824 1HG GLU 78 1HG GLU 78 8.583 1.663 7.560 825 2HG GLU 78 2HG GLU 78 7.737 3.088 6.992 826 QB GLU 78 QB GLU 78 7.246 3.119 9.455 827 QG GLU 78 QG GLU 78 8.160 2.375 7.276 828 H ASP 79 H ASP 79 9.319 1.543 9.621 829 HA ASP 79 HA ASP 79 9.699 -1.075 10.702 830 1HB ASP 79 1HB ASP 79 11.425 1.230 9.846 831 2HB ASP 79 2HB ASP 79 12.109 0.156 11.050 832 QB ASP 79 QB ASP 79 11.767 0.693 10.448 833 H VAL 80 H VAL 80 8.227 -0.575 12.638 834 HA VAL 80 HA VAL 80 8.481 1.378 14.452 835 HB VAL 80 HB VAL 80 6.972 -0.685 14.378 836 1HG1 VAL 80 1HG1 VAL 80 8.978 -2.270 14.540 837 2HG1 VAL 80 2HG1 VAL 80 9.018 -1.860 16.272 838 3HG1 VAL 80 3HG1 VAL 80 7.575 -2.632 15.573 839 1HG2 VAL 80 1HG2 VAL 80 7.473 1.175 16.325 840 2HG2 VAL 80 2HG2 VAL 80 6.162 -0.028 16.376 841 3HG2 VAL 80 3HG2 VAL 80 7.698 -0.348 17.218 842 MG1 VAL 80 QG1 VAL 80 8.524 -2.254 15.462 843 MG2 VAL 80 QG2 VAL 80 7.111 0.267 16.640 844 QG VAL 80 QQG VAL 80 7.817 -0.994 16.051 845 H GLN 81 H GLN 81 10.338 2.326 15.151 846 HA GLN 81 HA GLN 81 12.767 1.079 15.268 847 1HB GLN 81 1HB GLN 81 13.452 3.014 16.709 848 2HB GLN 81 2HB GLN 81 12.565 3.504 15.279 849 1HG GLN 81 1HG GLN 81 10.590 3.030 17.281 850 2HG GLN 81 2HG GLN 81 11.879 3.902 18.087 851 1HE2 GLN 81 1HE2 GLN 81 9.059 4.411 16.808 852 2HE2 GLN 81 2HE2 GLN 81 9.237 5.945 16.023 853 QB GLN 81 QB GLN 81 13.008 3.259 15.994 854 QG GLN 81 QG GLN 81 11.235 3.466 17.684 855 QE GLN 81 QE2 GLN 81 9.148 5.178 16.415 No H/Q in entry = 855 Start of MODEL 13 1 H MET 1 H MET 1 26.732 -24.239 -1.872 2 HA MET 1 HA MET 1 25.758 -24.909 -4.520 3 1HB MET 1 1HB MET 1 27.492 -26.626 -3.606 4 2HB MET 1 2HB MET 1 26.317 -27.014 -2.365 5 1HG MET 1 1HG MET 1 24.834 -27.100 -4.772 6 2HG MET 1 2HG MET 1 26.372 -27.829 -5.191 7 1HE MET 1 3HE MET 1 27.542 -28.998 -2.924 8 2HE MET 1 1HE MET 1 26.773 -30.505 -2.370 9 3HE MET 1 2HE MET 1 27.199 -30.302 -4.086 10 QB MET 1 QB MET 1 26.905 -26.820 -2.986 11 QG MET 1 QG MET 1 25.603 -27.465 -4.981 12 ME MET 1 QE MET 1 27.171 -29.935 -3.127 13 H ARG 2 H ARG 2 24.512 -23.121 -2.793 14 HA ARG 2 HA ARG 2 22.056 -24.423 -2.438 15 1HB ARG 2 1HB ARG 2 23.318 -25.104 -0.317 16 2HB ARG 2 2HB ARG 2 23.389 -23.410 0.122 17 1HG ARG 2 1HG ARG 2 20.721 -23.595 -0.370 18 2HG ARG 2 2HG ARG 2 21.025 -25.263 0.070 19 1HD ARG 2 1HD ARG 2 22.274 -23.221 1.867 20 2HD ARG 2 2HD ARG 2 20.522 -23.271 1.893 21 HE ARG 2 HE ARG 2 21.455 -25.958 2.045 22 1HH1 ARG 2 2HH1 ARG 2 21.543 -27.074 4.036 23 2HH1 ARG 2 1HH1 ARG 2 21.587 -26.188 5.525 24 1HH2 ARG 2 2HH2 ARG 2 21.489 -23.022 3.984 25 2HH2 ARG 2 1HH2 ARG 2 21.557 -23.867 5.494 26 QB ARG 2 QB ARG 2 23.354 -24.257 -0.097 27 QG ARG 2 QG ARG 2 20.873 -24.429 -0.150 28 QD ARG 2 QD ARG 2 21.398 -23.246 1.880 29 QH1 ARG 2 QH1 ARG 2 21.565 -26.631 4.780 30 QH2 ARG 2 QH2 ARG 2 21.523 -23.445 4.739 31 H SER 3 H SER 3 20.328 -22.858 -2.179 32 HA SER 3 HA SER 3 20.765 -20.249 -1.388 33 1HB SER 3 1HB SER 3 20.725 -19.013 -3.480 34 2HB SER 3 2HB SER 3 22.076 -20.128 -3.523 35 HG SER 3 HG SER 3 20.043 -21.515 -4.537 36 QB SER 3 QB SER 3 21.400 -19.571 -3.502 37 H LEU 4 H LEU 4 18.748 -18.974 -1.521 38 HA LEU 4 HA LEU 4 16.476 -20.287 -2.734 39 1HB LEU 4 1HB LEU 4 16.654 -21.393 -0.566 40 2HB LEU 4 2HB LEU 4 16.652 -19.841 0.249 41 HG LEU 4 HG LEU 4 14.351 -19.432 -0.713 42 1HD1 LEU 4 2HD1 LEU 4 14.852 -21.446 -2.414 43 2HD1 LEU 4 3HD1 LEU 4 13.988 -22.347 -1.145 44 3HD1 LEU 4 1HD1 LEU 4 13.209 -20.956 -1.935 45 1HD2 LEU 4 2HD2 LEU 4 14.715 -20.111 1.612 46 2HD2 LEU 4 3HD2 LEU 4 13.213 -20.804 0.952 47 3HD2 LEU 4 1HD2 LEU 4 14.664 -21.822 1.124 48 MD1 LEU 4 QD1 LEU 4 14.016 -21.583 -1.832 49 MD2 LEU 4 QD2 LEU 4 14.197 -20.912 1.229 50 QB LEU 4 QB LEU 4 16.653 -20.617 -0.159 51 QD LEU 4 QQD LEU 4 14.107 -21.248 -0.301 52 H GLU 5 H GLU 5 14.495 -18.845 -2.587 53 HA GLU 5 HA GLU 5 15.412 -16.077 -2.466 54 1HB GLU 5 1HB GLU 5 14.733 -17.136 -4.754 55 2HB GLU 5 2HB GLU 5 13.086 -17.039 -4.163 56 1HG GLU 5 1HG GLU 5 13.351 -14.586 -3.792 57 2HG GLU 5 2HG GLU 5 15.011 -14.673 -4.349 58 QB GLU 5 QB GLU 5 13.909 -17.088 -4.459 59 QG GLU 5 QG GLU 5 14.181 -14.630 -4.070 60 H THR 6 H THR 6 14.664 -15.175 -0.590 61 HA THR 6 HA THR 6 11.823 -15.235 -0.096 62 HB THR 6 HB THR 6 12.290 -16.052 2.318 63 HG1 THR 6 HG1 THR 6 14.658 -15.752 2.006 64 1HG2 THR 6 2HG2 THR 6 11.423 -17.550 0.327 65 2HG2 THR 6 3HG2 THR 6 13.090 -18.170 0.284 66 3HG2 THR 6 1HG2 THR 6 12.106 -18.362 1.755 67 MG THR 6 QG2 THR 6 12.206 -18.027 0.789 68 H PHE 7 H PHE 7 11.211 -13.732 1.692 69 HA PHE 7 HA PHE 7 13.096 -12.004 2.806 70 1HB PHE 7 1HB PHE 7 12.091 -10.013 1.274 71 2HB PHE 7 2HB PHE 7 13.492 -10.920 0.740 72 HD1 PHE 7 HD1 PHE 7 9.839 -10.569 0.345 73 HD2 PHE 7 HD2 PHE 7 13.391 -12.312 -1.187 74 HE1 PHE 7 HE1 PHE 7 8.614 -11.231 -1.743 75 HE2 PHE 7 HE2 PHE 7 12.166 -12.974 -3.276 76 HZ PHE 7 HZ PHE 7 9.792 -12.425 -3.529 77 QB PHE 7 QB PHE 7 12.791 -10.466 1.007 78 QD PHE 7 QD PHE 7 11.615 -11.441 -0.421 79 QE PHE 7 QE PHE 7 10.390 -12.102 -2.509 80 QR PHE 7 QR PHE 7 10.761 -11.902 -1.878 81 H VAL 8 H VAL 8 12.076 -10.308 4.107 82 HA VAL 8 HA VAL 8 9.163 -10.382 4.139 83 HB VAL 8 HB VAL 8 10.664 -10.652 6.718 84 1HG1 VAL 8 3HG1 VAL 8 7.861 -10.821 5.765 85 2HG1 VAL 8 1HG1 VAL 8 8.336 -12.018 6.995 86 3HG1 VAL 8 2HG1 VAL 8 8.516 -10.279 7.328 87 1HG2 VAL 8 2HG2 VAL 8 9.908 -12.915 4.848 88 2HG2 VAL 8 3HG2 VAL 8 11.511 -12.539 5.524 89 3HG2 VAL 8 1HG2 VAL 8 10.215 -13.138 6.587 90 MG1 VAL 8 QG1 VAL 8 8.237 -11.039 6.696 91 MG2 VAL 8 QG2 VAL 8 10.545 -12.864 5.653 92 QG VAL 8 QQG VAL 8 9.391 -11.952 6.175 93 H GLY 9 H GLY 9 8.317 -8.599 5.661 94 1HA GLY 9 2HA GLY 9 10.203 -6.319 5.611 95 2HA GLY 9 1HA GLY 9 9.003 -6.581 6.860 96 QA GLY 9 QA GLY 9 9.603 -6.450 6.236 97 H ASP 10 H ASP 10 6.634 -6.716 6.102 98 HA ASP 10 HA ASP 10 6.190 -5.328 3.619 99 1HB ASP 10 1HB ASP 10 3.696 -5.663 4.599 100 2HB ASP 10 2HB ASP 10 4.548 -6.941 3.755 101 QB ASP 10 QB ASP 10 4.122 -6.302 4.177 102 H GLN 11 H GLN 11 4.039 -3.721 3.965 103 HA GLN 11 HA GLN 11 3.988 -2.337 6.400 104 1HB GLN 11 1HB GLN 11 6.207 -1.550 5.372 105 2HB GLN 11 2HB GLN 11 5.261 -0.776 4.116 106 1HG GLN 11 1HG GLN 11 3.940 0.346 6.086 107 2HG GLN 11 2HG GLN 11 5.282 -0.161 7.093 108 1HE2 GLN 11 1HE2 GLN 11 7.345 0.671 6.763 109 2HE2 GLN 11 2HE2 GLN 11 7.639 2.132 5.882 110 QB GLN 11 QB GLN 11 5.734 -1.163 4.744 111 QG GLN 11 QG GLN 11 4.611 0.093 6.589 112 QE GLN 11 QE2 GLN 11 7.492 1.402 6.323 113 H VAL 12 H VAL 12 2.091 -1.107 6.529 114 HA VAL 12 HA VAL 12 0.414 -1.241 4.157 115 HB VAL 12 HB VAL 12 -0.540 -0.182 6.770 116 1HG1 VAL 12 1HG1 VAL 12 -1.721 -0.972 4.380 117 2HG1 VAL 12 2HG1 VAL 12 -2.037 -2.336 5.480 118 3HG1 VAL 12 3HG1 VAL 12 -2.553 -0.693 5.929 119 1HG2 VAL 12 2HG2 VAL 12 0.341 -3.040 6.312 120 2HG2 VAL 12 3HG2 VAL 12 0.751 -1.952 7.659 121 3HG2 VAL 12 1HG2 VAL 12 -0.899 -2.606 7.512 122 MG1 VAL 12 QG1 VAL 12 -2.104 -1.334 5.263 123 MG2 VAL 12 QG2 VAL 12 0.064 -2.533 7.161 124 QG VAL 12 QQG VAL 12 -1.020 -1.933 6.212 125 H LEU 13 H LEU 13 -1.071 0.753 3.807 126 HA LEU 13 HA LEU 13 0.124 3.256 4.566 127 1HB LEU 13 1HB LEU 13 0.922 3.974 2.561 128 2HB LEU 13 2HB LEU 13 1.386 2.285 2.523 129 HG LEU 13 HG LEU 13 -1.140 2.310 1.331 130 1HD1 LEU 13 3HD1 LEU 13 0.464 4.709 0.408 131 2HD1 LEU 13 1HD1 LEU 13 -0.921 4.008 -0.463 132 3HD1 LEU 13 2HD1 LEU 13 -1.152 4.715 1.154 133 1HD2 LEU 13 1HD2 LEU 13 1.017 1.040 0.790 134 2HD2 LEU 13 2HD2 LEU 13 -0.029 1.513 -0.571 135 3HD2 LEU 13 3HD2 LEU 13 1.445 2.444 -0.216 136 MD1 LEU 13 QD1 LEU 13 -0.537 4.477 0.367 137 MD2 LEU 13 QD2 LEU 13 0.811 1.666 0.001 138 QB LEU 13 QB LEU 13 1.154 3.130 2.542 139 QD LEU 13 QQD LEU 13 0.137 3.072 0.184 140 H GLU 14 H GLU 14 -1.352 4.987 4.387 141 HA GLU 14 HA GLU 14 -4.044 4.058 3.846 142 1HB GLU 14 1HB GLU 14 -4.554 6.391 4.976 143 2HB GLU 14 2HB GLU 14 -4.067 5.027 5.964 144 1HG GLU 14 1HG GLU 14 -1.913 5.877 6.337 145 2HG GLU 14 2HG GLU 14 -1.891 6.787 4.840 146 QB GLU 14 QB GLU 14 -4.310 5.709 5.470 147 QG GLU 14 QG GLU 14 -1.902 6.332 5.589 148 H ILE 15 H ILE 15 -5.098 4.656 1.999 149 HA ILE 15 HA ILE 15 -3.954 6.924 0.525 150 HB ILE 15 HB ILE 15 -5.449 4.537 -0.563 151 1HG1 ILE 15 1HG1 ILE 15 -2.542 4.968 -1.091 152 2HG1 ILE 15 2HG1 ILE 15 -2.991 4.343 0.483 153 1HG2 ILE 15 1HG2 ILE 15 -5.665 6.643 -1.866 154 2HG2 ILE 15 2HG2 ILE 15 -3.893 6.687 -2.024 155 3HG2 ILE 15 3HG2 ILE 15 -4.817 5.344 -2.740 156 1HD1 ILE 15 2HD1 ILE 15 -4.556 2.729 -1.004 157 2HD1 ILE 15 3HD1 ILE 15 -3.311 3.086 -2.226 158 3HD1 ILE 15 1HD1 ILE 15 -2.850 2.341 -0.677 159 MG ILE 15 QG2 ILE 15 -4.792 6.225 -2.210 160 MD ILE 15 QD1 ILE 15 -3.573 2.719 -1.302 161 QG ILE 15 QG1 ILE 15 -2.767 4.656 -0.304 162 H VAL 16 H VAL 16 -5.345 8.525 -0.283 163 HA VAL 16 HA VAL 16 -8.121 8.279 0.652 164 HB VAL 16 HB VAL 16 -6.357 10.737 0.606 165 1HG1 VAL 16 3HG1 VAL 16 -9.277 10.335 0.930 166 2HG1 VAL 16 1HG1 VAL 16 -8.509 11.414 2.119 167 3HG1 VAL 16 2HG1 VAL 16 -8.364 11.761 0.379 168 1HG2 VAL 16 2HG2 VAL 16 -6.595 8.658 2.544 169 2HG2 VAL 16 3HG2 VAL 16 -5.687 10.185 2.659 170 3HG2 VAL 16 1HG2 VAL 16 -7.379 10.112 3.207 171 MG1 VAL 16 QG1 VAL 16 -8.717 11.170 1.143 172 MG2 VAL 16 QG2 VAL 16 -6.554 9.652 2.803 173 QG VAL 16 QQG VAL 16 -7.635 10.411 1.973 174 HA PRO 17 HA PRO 17 -8.388 8.827 -3.750 175 1HB PRO 17 1HB PRO 17 -10.688 7.392 -4.097 176 2HB PRO 17 2HB PRO 17 -9.090 6.678 -4.190 177 1HG PRO 17 1HG PRO 17 -11.085 6.482 -2.017 178 2HG PRO 17 2HG PRO 17 -9.694 5.462 -2.324 179 1HD PRO 17 1HD PRO 17 -9.915 7.506 -0.324 180 2HD PRO 17 2HD PRO 17 -8.486 6.566 -0.709 181 QB PRO 17 QB PRO 17 -9.889 7.035 -4.143 182 QG PRO 17 QG PRO 17 -10.389 5.972 -2.170 183 QD PRO 17 QD PRO 17 -9.200 7.036 -0.516 184 H SER 18 H SER 18 -10.528 9.352 -5.195 185 HA SER 18 HA SER 18 -12.408 10.871 -3.798 186 1HB SER 18 1HB SER 18 -10.530 12.451 -3.513 187 2HB SER 18 2HB SER 18 -10.225 12.442 -5.239 188 HG SER 18 HG SER 18 -12.736 13.099 -5.182 189 QB SER 18 QB SER 18 -10.378 12.446 -4.376 190 H ASN 19 H ASN 19 -10.555 10.289 -6.829 191 HA ASN 19 HA ASN 19 -13.016 10.738 -8.309 192 1HB ASN 19 1HB ASN 19 -10.078 10.901 -8.961 193 2HB ASN 19 2HB ASN 19 -11.132 10.366 -10.255 194 1HD2 ASN 19 1HD2 ASN 19 -9.562 12.869 -9.699 195 2HD2 ASN 19 2HD2 ASN 19 -10.669 14.182 -9.926 196 QB ASN 19 QB ASN 19 -10.605 10.633 -9.608 197 QD ASN 19 QD2 ASN 19 -10.116 13.526 -9.812 198 H GLU 20 H GLU 20 -13.069 9.138 -10.387 199 HA GLU 20 HA GLU 20 -13.006 6.514 -9.270 200 1HB GLU 20 1HB GLU 20 -13.940 7.658 -11.928 201 2HB GLU 20 2HB GLU 20 -13.943 5.933 -11.617 202 1HG GLU 20 1HG GLU 20 -15.829 6.080 -10.358 203 2HG GLU 20 2HG GLU 20 -15.142 7.347 -9.362 204 QB GLU 20 QB GLU 20 -13.941 6.795 -11.773 205 QG GLU 20 QG GLU 20 -15.485 6.714 -9.860 206 H GLU 21 H GLU 21 -11.230 8.429 -11.727 207 HA GLU 21 HA GLU 21 -9.876 6.333 -12.898 208 1HB GLU 21 1HB GLU 21 -9.742 8.379 -14.045 209 2HB GLU 21 2HB GLU 21 -9.373 9.293 -12.595 210 1HG GLU 21 1HG GLU 21 -7.405 7.191 -13.517 211 2HG GLU 21 2HG GLU 21 -7.468 8.714 -14.381 212 QB GLU 21 QB GLU 21 -9.557 8.836 -13.320 213 QG GLU 21 QG GLU 21 -7.436 7.952 -13.949 214 H GLN 22 H GLN 22 -9.089 8.364 -10.015 215 HA GLN 22 HA GLN 22 -6.565 7.284 -9.615 216 1HB GLN 22 1HB GLN 22 -8.533 8.864 -8.003 217 2HB GLN 22 2HB GLN 22 -7.280 8.036 -7.100 218 1HG GLN 22 1HG GLN 22 -5.579 9.344 -7.973 219 2HG GLN 22 2HG GLN 22 -6.352 9.504 -9.538 220 1HE2 GLN 22 1HE2 GLN 22 -6.073 10.722 -6.303 221 2HE2 GLN 22 2HE2 GLN 22 -6.949 12.203 -6.506 222 QB GLN 22 QB GLN 22 -7.907 8.450 -7.552 223 QG GLN 22 QG GLN 22 -5.966 9.424 -8.755 224 QE GLN 22 QE2 GLN 22 -6.511 11.463 -6.405 225 H ILE 23 H ILE 23 -9.841 6.309 -8.494 226 HA ILE 23 HA ILE 23 -8.860 4.278 -6.766 227 HB ILE 23 HB ILE 23 -11.524 5.136 -7.815 228 1HG1 ILE 23 1HG1 ILE 23 -10.499 4.722 -4.992 229 2HG1 ILE 23 2HG1 ILE 23 -10.403 6.241 -5.859 230 1HG2 ILE 23 2HG2 ILE 23 -10.981 2.536 -6.358 231 2HG2 ILE 23 3HG2 ILE 23 -12.585 3.283 -6.544 232 3HG2 ILE 23 1HG2 ILE 23 -11.684 2.739 -7.980 233 1HD1 ILE 23 3HD1 ILE 23 -12.904 6.192 -6.165 234 2HD1 ILE 23 1HD1 ILE 23 -12.956 4.715 -5.173 235 3HD1 ILE 23 2HD1 ILE 23 -12.407 6.250 -4.458 236 MG ILE 23 QG2 ILE 23 -11.750 2.853 -6.961 237 MD ILE 23 QD1 ILE 23 -12.756 5.719 -5.265 238 QG ILE 23 QG1 ILE 23 -10.451 5.481 -5.426 239 H LYS 24 H LYS 24 -10.022 4.449 -10.167 240 HA LYS 24 HA LYS 24 -10.037 1.672 -10.579 241 1HB LYS 24 1HB LYS 24 -11.271 2.791 -12.154 242 2HB LYS 24 2HB LYS 24 -10.144 4.126 -12.271 243 1HG LYS 24 1HG LYS 24 -8.513 2.627 -13.457 244 2HG LYS 24 2HG LYS 24 -9.668 1.312 -13.365 245 1HD LYS 24 1HD LYS 24 -10.531 2.045 -15.331 246 2HD LYS 24 2HD LYS 24 -11.163 3.430 -14.464 247 1HE LYS 24 1HE LYS 24 -9.833 4.730 -15.770 248 2HE LYS 24 2HE LYS 24 -8.464 4.103 -14.872 249 1HZ LYS 24 2HZ LYS 24 -9.571 2.633 -17.145 250 2HZ LYS 24 3HZ LYS 24 -8.465 3.815 -17.360 251 3HZ LYS 24 1HZ LYS 24 -8.090 2.495 -16.474 252 QB LYS 24 QB LYS 24 -10.707 3.458 -12.212 253 QD LYS 24 QD LYS 24 -10.847 2.737 -14.898 254 QG LYS 24 QG LYS 24 -9.090 1.970 -13.411 255 QE LYS 24 QE LYS 24 -9.148 4.417 -15.321 256 QZ LYS 24 QZ LYS 24 -8.709 2.981 -16.993 257 H ASN 25 H ASN 25 -7.477 3.917 -10.058 258 HA ASN 25 HA ASN 25 -5.566 2.731 -11.719 259 1HB ASN 25 1HB ASN 25 -5.609 5.034 -10.331 260 2HB ASN 25 2HB ASN 25 -4.822 4.066 -9.100 261 1HD2 ASN 25 1HD2 ASN 25 -4.693 4.442 -12.645 262 2HD2 ASN 25 2HD2 ASN 25 -2.970 4.546 -12.791 263 QB ASN 25 QB ASN 25 -5.216 4.550 -9.715 264 QD ASN 25 QD2 ASN 25 -3.831 4.494 -12.718 265 H LEU 26 H LEU 26 -6.609 2.333 -8.282 266 HA LEU 26 HA LEU 26 -4.557 0.560 -7.543 267 1HB LEU 26 1HB LEU 26 -7.153 1.481 -6.439 268 2HB LEU 26 2HB LEU 26 -6.533 -0.041 -5.829 269 HG LEU 26 HG LEU 26 -5.233 2.684 -5.678 270 1HD1 LEU 26 3HD1 LEU 26 -6.559 0.832 -3.751 271 2HD1 LEU 26 1HD1 LEU 26 -5.184 1.804 -3.175 272 3HD1 LEU 26 2HD1 LEU 26 -6.615 2.607 -3.866 273 1HD2 LEU 26 1HD2 LEU 26 -3.965 0.045 -5.705 274 2HD2 LEU 26 2HD2 LEU 26 -3.254 1.668 -5.864 275 3HD2 LEU 26 3HD2 LEU 26 -3.588 0.998 -4.250 276 MD1 LEU 26 QD1 LEU 26 -6.119 1.748 -3.597 277 MD2 LEU 26 QD2 LEU 26 -3.602 0.904 -5.273 278 QB LEU 26 QB LEU 26 -6.843 0.720 -6.134 279 QD LEU 26 QQD LEU 26 -4.861 1.326 -4.435 280 H LEU 27 H LEU 27 -7.925 0.073 -8.770 281 HA LEU 27 HA LEU 27 -8.030 -2.656 -8.561 282 1HB LEU 27 1HB LEU 27 -9.281 -0.619 -10.343 283 2HB LEU 27 2HB LEU 27 -9.471 -2.311 -10.759 284 HG LEU 27 HG LEU 27 -10.052 -1.961 -7.960 285 1HD1 LEU 27 3HD1 LEU 27 -11.193 0.097 -9.804 286 2HD1 LEU 27 1HD1 LEU 27 -12.239 -0.600 -8.542 287 3HD1 LEU 27 2HD1 LEU 27 -10.725 0.221 -8.092 288 1HD2 LEU 27 3HD2 LEU 27 -10.877 -3.550 -10.033 289 2HD2 LEU 27 1HD2 LEU 27 -11.649 -3.456 -8.433 290 3HD2 LEU 27 2HD2 LEU 27 -12.289 -2.495 -9.787 291 MD1 LEU 27 QD1 LEU 27 -11.386 -0.094 -8.813 292 MD2 LEU 27 QD2 LEU 27 -11.605 -3.167 -9.418 293 QB LEU 27 QB LEU 27 -9.376 -1.465 -10.551 294 QD LEU 27 QQD LEU 27 -11.495 -1.630 -9.115 295 H GLN 28 H GLN 28 -6.820 -0.686 -11.363 296 HA GLN 28 HA GLN 28 -6.103 -2.826 -12.914 297 1HB GLN 28 1HB GLN 28 -6.118 -0.180 -13.305 298 2HB GLN 28 2HB GLN 28 -4.413 -0.330 -12.929 299 1HG GLN 28 1HG GLN 28 -5.127 -2.460 -14.754 300 2HG GLN 28 2HG GLN 28 -5.748 -0.954 -15.401 301 1HE2 GLN 28 1HE2 GLN 28 -2.866 -2.437 -13.965 302 2HE2 GLN 28 2HE2 GLN 28 -1.681 -1.541 -14.856 303 QB GLN 28 QB GLN 28 -5.265 -0.255 -13.117 304 QG GLN 28 QG GLN 28 -5.437 -1.707 -15.078 305 QE GLN 28 QE2 GLN 28 -2.273 -1.989 -14.410 306 H LEU 29 H LEU 29 -4.380 -1.208 -10.222 307 HA LEU 29 HA LEU 29 -1.909 -2.502 -10.680 308 1HB LEU 29 1HB LEU 29 -1.844 -0.498 -9.491 309 2HB LEU 29 2HB LEU 29 -3.141 -0.973 -8.411 310 HG LEU 29 HG LEU 29 -1.558 -2.732 -7.471 311 1HD1 LEU 29 1HD1 LEU 29 0.119 -1.670 -9.572 312 2HD1 LEU 29 2HD1 LEU 29 0.904 -1.490 -7.985 313 3HD1 LEU 29 3HD1 LEU 29 0.358 -3.094 -8.531 314 1HD2 LEU 29 3HD2 LEU 29 -1.229 0.234 -7.138 315 2HD2 LEU 29 1HD2 LEU 29 -1.958 -0.963 -6.041 316 3HD2 LEU 29 2HD2 LEU 29 -0.190 -0.891 -6.231 317 MD1 LEU 29 QD1 LEU 29 0.460 -2.084 -8.696 318 MD2 LEU 29 QD2 LEU 29 -1.126 -0.540 -6.470 319 QB LEU 29 QB LEU 29 -2.493 -0.736 -8.951 320 QD LEU 29 QQD LEU 29 -0.333 -1.312 -7.583 321 H GLU 30 H GLU 30 -4.422 -3.019 -8.099 322 HA GLU 30 HA GLU 30 -3.340 -5.309 -7.114 323 1HB GLU 30 1HB GLU 30 -5.422 -3.826 -6.391 324 2HB GLU 30 2HB GLU 30 -6.342 -5.012 -7.295 325 1HG GLU 30 1HG GLU 30 -4.314 -6.192 -5.463 326 2HG GLU 30 2HG GLU 30 -5.573 -5.287 -4.646 327 QB GLU 30 QB GLU 30 -5.882 -4.419 -6.843 328 QG GLU 30 QG GLU 30 -4.944 -5.739 -5.055 329 H ALA 31 H ALA 31 -5.398 -4.813 -9.995 330 HA ALA 31 HA ALA 31 -6.196 -7.406 -10.464 331 1HB ALA 31 2HB ALA 31 -5.879 -6.475 -12.972 332 2HB ALA 31 3HB ALA 31 -7.185 -5.911 -11.901 333 3HB ALA 31 1HB ALA 31 -5.705 -4.941 -12.087 334 MB ALA 31 QB ALA 31 -6.256 -5.776 -12.320 335 H GLN 32 H GLN 32 -3.111 -5.732 -11.334 336 HA GLN 32 HA GLN 32 -2.040 -7.751 -12.836 337 1HB GLN 32 1HB GLN 32 -0.850 -5.560 -11.123 338 2HB GLN 32 2HB GLN 32 0.210 -6.730 -11.882 339 1HG GLN 32 1HG GLN 32 -1.880 -5.092 -13.392 340 2HG GLN 32 2HG GLN 32 -0.190 -4.644 -13.267 341 1HE2 GLN 32 1HE2 GLN 32 -1.901 -5.380 -15.565 342 2HE2 GLN 32 2HE2 GLN 32 -1.092 -6.667 -16.396 343 QB GLN 32 QB GLN 32 -0.320 -6.145 -11.503 344 QG GLN 32 QG GLN 32 -1.035 -4.868 -13.330 345 QE GLN 32 QE2 GLN 32 -1.496 -6.024 -15.980 346 H GLU 33 H GLU 33 -2.222 -9.872 -12.113 347 HA GLU 33 HA GLU 33 -2.231 -10.826 -9.653 348 1HB GLU 33 1HB GLU 33 -1.194 -11.893 -12.252 349 2HB GLU 33 2HB GLU 33 -0.763 -12.800 -10.817 350 1HG GLU 33 1HG GLU 33 -3.636 -11.937 -11.318 351 2HG GLU 33 2HG GLU 33 -2.997 -13.403 -12.034 352 QB GLU 33 QB GLU 33 -0.979 -12.346 -11.535 353 QG GLU 33 QG GLU 33 -3.317 -12.670 -11.676 354 H HIS 34 H HIS 34 0.600 -9.527 -11.363 355 HA HIS 34 HA HIS 34 2.584 -10.619 -9.759 356 1HB HIS 34 1HB HIS 34 3.465 -9.679 -11.630 357 2HB HIS 34 2HB HIS 34 2.321 -8.350 -11.650 358 HD1 HIS 34 HD1 HIS 34 5.521 -9.440 -9.886 359 HD2 HIS 34 HD2 HIS 34 3.254 -5.978 -10.569 360 HE1 HIS 34 HE1 HIS 34 6.926 -7.487 -9.036 361 HE2 HIS 34 HE2 HIS 34 5.505 -5.383 -9.532 362 QB HIS 34 QB HIS 34 2.893 -9.014 -11.640 363 H LEU 35 H LEU 35 0.729 -7.519 -9.474 364 HA LEU 35 HA LEU 35 1.837 -7.246 -6.776 365 1HB LEU 35 1HB LEU 35 0.880 -5.343 -8.854 366 2HB LEU 35 2HB LEU 35 0.618 -4.910 -7.176 367 HG LEU 35 HG LEU 35 3.331 -5.659 -8.293 368 1HD1 LEU 35 3HD1 LEU 35 2.193 -3.596 -9.337 369 2HD1 LEU 35 1HD1 LEU 35 2.446 -2.831 -7.749 370 3HD1 LEU 35 2HD1 LEU 35 3.840 -3.419 -8.687 371 1HD2 LEU 35 1HD2 LEU 35 2.795 -5.818 -5.774 372 2HD2 LEU 35 2HD2 LEU 35 4.252 -4.930 -6.283 373 3HD2 LEU 35 3HD2 LEU 35 2.784 -4.038 -5.815 374 MD1 LEU 35 QD1 LEU 35 2.826 -3.282 -8.591 375 MD2 LEU 35 QD2 LEU 35 3.277 -4.929 -5.957 376 QB LEU 35 QB LEU 35 0.749 -5.126 -8.015 377 QD LEU 35 QQD LEU 35 3.052 -4.105 -7.274 378 H GLN 36 H GLN 36 0.111 -9.310 -6.856 379 HA GLN 36 HA GLN 36 -2.570 -8.554 -6.633 380 1HB GLN 36 1HB GLN 36 -2.087 -10.835 -7.168 381 2HB GLN 36 2HB GLN 36 -1.000 -11.018 -5.807 382 1HG GLN 36 1HG GLN 36 -3.593 -10.187 -4.810 383 2HG GLN 36 2HG GLN 36 -3.823 -11.542 -5.897 384 1HE2 GLN 36 1HE2 GLN 36 -4.197 -13.174 -4.560 385 2HE2 GLN 36 2HE2 GLN 36 -3.136 -13.742 -3.313 386 QB GLN 36 QB GLN 36 -1.544 -10.926 -6.488 387 QG GLN 36 QG GLN 36 -3.708 -10.865 -5.353 388 QE GLN 36 QE2 GLN 36 -3.666 -13.458 -3.937 389 H LEU 37 H LEU 37 -1.905 -6.578 -5.184 390 HA LEU 37 HA LEU 37 -1.295 -7.156 -2.468 391 1HB LEU 37 1HB LEU 37 -2.507 -4.568 -3.300 392 2HB LEU 37 2HB LEU 37 -1.203 -4.895 -2.174 393 HG LEU 37 HG LEU 37 -0.217 -5.701 -4.682 394 1HD1 LEU 37 2HD1 LEU 37 -1.678 -3.055 -4.893 395 2HD1 LEU 37 3HD1 LEU 37 -0.483 -3.669 -6.059 396 3HD1 LEU 37 1HD1 LEU 37 -2.015 -4.540 -5.814 397 1HD2 LEU 37 1HD2 LEU 37 0.273 -3.366 -2.846 398 2HD2 LEU 37 2HD2 LEU 37 1.275 -4.809 -3.135 399 3HD2 LEU 37 3HD2 LEU 37 1.163 -3.538 -4.378 400 MD1 LEU 37 QD1 LEU 37 -1.392 -3.755 -5.589 401 MD2 LEU 37 QD2 LEU 37 0.904 -3.904 -3.453 402 QB LEU 37 QB LEU 37 -1.855 -4.732 -2.737 403 QD LEU 37 QQD LEU 37 -0.244 -3.829 -4.521 404 H ASP 38 H ASP 38 -2.790 -6.363 -0.648 405 HA ASP 38 HA ASP 38 -5.498 -7.198 -1.339 406 1HB ASP 38 1HB ASP 38 -3.900 -8.567 0.321 407 2HB ASP 38 2HB ASP 38 -4.401 -7.347 1.475 408 QB ASP 38 QB ASP 38 -4.150 -7.957 0.898 409 H PHE 39 H PHE 39 -7.054 -5.600 -0.966 410 HA PHE 39 HA PHE 39 -6.176 -3.210 0.434 411 1HB PHE 39 1HB PHE 39 -8.600 -4.031 -1.271 412 2HB PHE 39 2HB PHE 39 -8.469 -2.442 -0.544 413 HD1 PHE 39 HD1 PHE 39 -8.424 -3.689 -3.557 414 HD2 PHE 39 HD2 PHE 39 -5.638 -1.786 -0.984 415 HE1 PHE 39 HE1 PHE 39 -7.132 -2.883 -5.552 416 HE2 PHE 39 HE2 PHE 39 -4.346 -0.980 -2.979 417 HZ PHE 39 HZ PHE 39 -5.107 -1.538 -5.239 418 QB PHE 39 QB PHE 39 -8.535 -3.237 -0.907 419 QD PHE 39 QD PHE 39 -7.031 -2.738 -2.270 420 QE PHE 39 QE PHE 39 -5.739 -1.931 -4.265 421 QR PHE 39 QR PHE 39 -6.129 -2.175 -3.662 422 H TRP 40 H TRP 40 -6.912 -2.597 2.432 423 HA TRP 40 HA TRP 40 -8.388 -4.477 3.953 424 1HB TRP 40 1HB TRP 40 -7.274 -1.734 4.433 425 2HB TRP 40 2HB TRP 40 -8.385 -2.443 5.588 426 HD1 TRP 40 HD1 TRP 40 -6.114 -5.014 4.004 427 HE1 TRP 40 HE1 TRP 40 -4.216 -5.827 5.648 428 HE3 TRP 40 HE3 TRP 40 -6.891 -1.420 7.516 429 HZ2 TRP 40 HZ2 TRP 40 -3.275 -4.896 8.177 430 HZ3 TRP 40 HZ3 TRP 40 -5.440 -1.443 9.542 431 HH2 TRP 40 HH2 TRP 40 -3.682 -3.103 9.902 432 QB TRP 40 QB TRP 40 -7.830 -2.089 5.010 433 H LYS 41 H LYS 41 -9.066 -1.133 2.686 434 HA LYS 41 HA LYS 41 -11.920 -1.763 2.982 435 1HB LYS 41 1HB LYS 41 -10.717 0.194 4.296 436 2HB LYS 41 2HB LYS 41 -10.895 1.048 2.776 437 1HG LYS 41 1HG LYS 41 -13.207 1.127 2.920 438 2HG LYS 41 2HG LYS 41 -13.324 -0.428 3.718 439 1HD LYS 41 1HD LYS 41 -12.225 0.758 5.775 440 2HD LYS 41 2HD LYS 41 -12.610 2.258 4.954 441 1HE LYS 41 1HE LYS 41 -14.834 2.092 5.454 442 2HE LYS 41 2HE LYS 41 -14.904 0.406 4.984 443 1HZ LYS 41 2HZ LYS 41 -13.413 0.681 7.340 444 2HZ LYS 41 3HZ LYS 41 -14.862 1.409 7.530 445 3HZ LYS 41 1HZ LYS 41 -14.789 -0.163 7.093 446 QB LYS 41 QB LYS 41 -10.806 0.621 3.536 447 QD LYS 41 QD LYS 41 -12.417 1.508 5.365 448 QG LYS 41 QG LYS 41 -13.266 0.350 3.319 449 QE LYS 41 QE LYS 41 -14.869 1.249 5.219 450 QZ LYS 41 QZ LYS 41 -14.355 0.642 7.321 451 H SER 42 H SER 42 -12.806 -2.358 1.083 452 HA SER 42 HA SER 42 -11.692 -2.265 -1.321 453 1HB SER 42 1HB SER 42 -14.085 -2.180 -2.243 454 2HB SER 42 2HB SER 42 -13.750 -3.436 -1.067 455 HG SER 42 HG SER 42 -14.530 -1.582 0.514 456 QB SER 42 QB SER 42 -13.917 -2.808 -1.655 457 HA PRO 43 HA PRO 43 -11.549 2.139 -1.904 458 1HB PRO 43 1HB PRO 43 -9.508 2.151 -3.721 459 2HB PRO 43 2HB PRO 43 -9.249 2.224 -1.989 460 1HG PRO 43 1HG PRO 43 -8.858 -0.058 -3.828 461 2HG PRO 43 2HG PRO 43 -8.219 0.172 -2.213 462 1HD PRO 43 1HD PRO 43 -10.409 -1.519 -2.966 463 2HD PRO 43 2HD PRO 43 -9.844 -1.198 -1.339 464 QB PRO 43 QB PRO 43 -9.379 2.187 -2.855 465 QG PRO 43 QG PRO 43 -8.538 0.057 -3.020 466 QD PRO 43 QD PRO 43 -10.127 -1.359 -2.153 467 H THR 44 H THR 44 -12.708 -0.292 -3.713 468 HA THR 44 HA THR 44 -12.886 0.546 -6.272 469 HB THR 44 HB THR 44 -14.722 -0.878 -4.341 470 HG1 THR 44 HG1 THR 44 -13.893 -2.523 -5.631 471 1HG2 THR 44 3HG2 THR 44 -15.451 0.124 -7.126 472 2HG2 THR 44 1HG2 THR 44 -16.099 -1.415 -6.510 473 3HG2 THR 44 2HG2 THR 44 -16.462 0.107 -5.661 474 MG THR 44 QG2 THR 44 -16.004 -0.395 -6.432 475 H THR 45 H THR 45 -14.331 2.106 -3.444 476 HA THR 45 HA THR 45 -15.321 4.190 -5.268 477 HB THR 45 HB THR 45 -17.398 4.281 -4.076 478 HG1 THR 45 HG1 THR 45 -16.538 4.143 -1.931 479 1HG2 THR 45 2HG2 THR 45 -16.609 1.322 -3.977 480 2HG2 THR 45 3HG2 THR 45 -18.268 1.969 -3.967 481 3HG2 THR 45 1HG2 THR 45 -17.254 2.141 -5.419 482 MG THR 45 QG2 THR 45 -17.377 1.811 -4.454 483 HA PRO 46 HA PRO 46 -13.163 6.863 -2.700 484 1HB PRO 46 1HB PRO 46 -14.442 9.230 -3.182 485 2HB PRO 46 2HB PRO 46 -13.247 8.548 -4.267 486 1HG PRO 46 1HG PRO 46 -16.187 8.638 -4.568 487 2HG PRO 46 2HG PRO 46 -14.965 8.359 -5.794 488 1HD PRO 46 1HD PRO 46 -16.644 6.386 -4.563 489 2HD PRO 46 2HD PRO 46 -15.345 6.094 -5.703 490 QB PRO 46 QB PRO 46 -13.844 8.889 -3.724 491 QG PRO 46 QG PRO 46 -15.576 8.499 -5.181 492 QD PRO 46 QD PRO 46 -15.994 6.240 -5.133 493 H GLY 47 H GLY 47 -13.713 8.999 -1.173 494 1HA GLY 47 2HA GLY 47 -16.048 8.723 0.377 495 2HA GLY 47 1HA GLY 47 -14.596 9.607 0.804 496 QA GLY 47 QA GLY 47 -15.322 9.165 0.591 497 H GLU 48 H GLU 48 -13.280 6.698 0.137 498 HA GLU 48 HA GLU 48 -13.381 5.952 2.918 499 1HB GLU 48 1HB GLU 48 -13.830 3.819 0.800 500 2HB GLU 48 2HB GLU 48 -13.991 3.660 2.537 501 1HG GLU 48 1HG GLU 48 -15.866 5.433 2.394 502 2HG GLU 48 2HG GLU 48 -15.797 5.236 0.653 503 QB GLU 48 QB GLU 48 -13.911 3.740 1.668 504 QG GLU 48 QG GLU 48 -15.832 5.334 1.524 505 H THR 49 H THR 49 -11.218 6.239 3.354 506 HA THR 49 HA THR 49 -9.171 5.945 1.491 507 HB THR 49 HB THR 49 -7.739 6.187 3.465 508 HG1 THR 49 HG1 THR 49 -10.225 5.542 4.887 509 1HG2 THR 49 3HG2 THR 49 -9.774 7.987 2.954 510 2HG2 THR 49 1HG2 THR 49 -10.144 7.522 4.631 511 3HG2 THR 49 2HG2 THR 49 -8.554 8.212 4.229 512 MG THR 49 QG2 THR 49 -9.491 7.907 3.938 513 H ALA 50 H ALA 50 -7.426 4.358 1.381 514 HA ALA 50 HA ALA 50 -8.489 1.667 1.911 515 1HB ALA 50 3HB ALA 50 -6.488 1.420 -0.001 516 2HB ALA 50 2HB ALA 50 -7.274 2.956 -0.437 517 3HB ALA 50 1HB ALA 50 -8.238 1.464 -0.326 518 MB ALA 50 QB ALA 50 -7.333 1.947 -0.255 519 H HIS 51 H HIS 51 -6.831 0.003 2.446 520 HA HIS 51 HA HIS 51 -4.307 1.041 3.370 521 1HB HIS 51 1HB HIS 51 -5.832 -0.499 5.421 522 2HB HIS 51 2HB HIS 51 -4.552 0.679 5.624 523 HD1 HIS 51 HD1 HIS 51 -8.112 0.314 6.033 524 HD2 HIS 51 HD2 HIS 51 -5.564 3.457 4.926 525 HE1 HIS 51 HE1 HIS 51 -9.437 2.466 6.383 526 HE2 HIS 51 HE2 HIS 51 -7.802 4.364 5.739 527 QB HIS 51 QB HIS 51 -5.192 0.090 5.523 528 H VAL 52 H VAL 52 -3.230 -0.312 1.930 529 HA VAL 52 HA VAL 52 -3.784 -3.177 2.267 530 HB VAL 52 HB VAL 52 -4.222 -2.870 0.067 531 1HG1 VAL 52 3HG1 VAL 52 -2.231 -0.582 0.084 532 2HG1 VAL 52 1HG1 VAL 52 -3.044 -1.176 -1.384 533 3HG1 VAL 52 2HG1 VAL 52 -4.003 -0.490 -0.052 534 1HG2 VAL 52 3HG2 VAL 52 -1.907 -4.148 0.525 535 2HG2 VAL 52 1HG2 VAL 52 -2.586 -3.937 -1.107 536 3HG2 VAL 52 2HG2 VAL 52 -1.302 -2.848 -0.530 537 MG1 VAL 52 QG1 VAL 52 -3.093 -0.749 -0.450 538 MG2 VAL 52 QG2 VAL 52 -1.932 -3.645 -0.371 539 QG VAL 52 QQG VAL 52 -2.512 -2.197 -0.411 540 H ARG 53 H ARG 53 -2.048 -4.586 2.677 541 HA ARG 53 HA ARG 53 0.195 -3.256 3.831 542 1HB ARG 53 1HB ARG 53 -0.340 -6.255 3.549 543 2HB ARG 53 2HB ARG 53 0.825 -5.514 4.629 544 1HG ARG 53 1HG ARG 53 -1.250 -4.202 5.592 545 2HG ARG 53 2HG ARG 53 -2.206 -5.429 4.786 546 1HD ARG 53 1HD ARG 53 0.088 -6.398 6.473 547 2HD ARG 53 2HD ARG 53 -1.288 -5.725 7.325 548 HE ARG 53 HE ARG 53 -2.247 -7.546 5.328 549 1HH1 ARG 53 2HH1 ARG 53 -2.962 -9.635 5.913 550 2HH1 ARG 53 1HH1 ARG 53 -2.467 -10.330 7.420 551 1HH2 ARG 53 2HH2 ARG 53 -0.534 -7.554 8.401 552 2HH2 ARG 53 1HH2 ARG 53 -1.076 -9.137 8.846 553 QB ARG 53 QB ARG 53 0.243 -5.884 4.089 554 QG ARG 53 QG ARG 53 -1.728 -4.816 5.189 555 QD ARG 53 QD ARG 53 -0.600 -6.062 6.899 556 QH1 ARG 53 QH1 ARG 53 -2.715 -9.983 6.667 557 QH2 ARG 53 QH2 ARG 53 -0.805 -8.345 8.623 558 H VAL 54 H VAL 54 1.297 -2.374 1.958 559 HA VAL 54 HA VAL 54 2.114 -4.228 -0.106 560 HB VAL 54 HB VAL 54 1.349 -1.697 -0.234 561 1HG1 VAL 54 3HG1 VAL 54 3.492 -1.196 1.249 562 2HG1 VAL 54 1HG1 VAL 54 4.300 -1.200 -0.337 563 3HG1 VAL 54 2HG1 VAL 54 2.959 -0.073 -0.024 564 1HG2 VAL 54 3HG2 VAL 54 2.299 -3.464 -2.009 565 2HG2 VAL 54 1HG2 VAL 54 1.996 -1.760 -2.423 566 3HG2 VAL 54 2HG2 VAL 54 3.647 -2.302 -2.039 567 MG1 VAL 54 QG1 VAL 54 3.584 -0.823 0.296 568 MG2 VAL 54 QG2 VAL 54 2.647 -2.509 -2.157 569 QG VAL 54 QQG VAL 54 3.116 -1.666 -0.931 570 HA PRO 55 HA PRO 55 5.975 -5.014 1.673 571 1HB PRO 55 1HB PRO 55 7.375 -5.873 -0.512 572 2HB PRO 55 2HB PRO 55 6.264 -6.896 0.377 573 1HG PRO 55 1HG PRO 55 5.889 -5.602 -2.254 574 2HG PRO 55 2HG PRO 55 5.002 -6.940 -1.552 575 1HD PRO 55 1HD PRO 55 4.125 -4.216 -1.756 576 2HD PRO 55 2HD PRO 55 3.289 -5.528 -0.951 577 QB PRO 55 QB PRO 55 6.820 -6.384 -0.067 578 QG PRO 55 QG PRO 55 5.446 -6.271 -1.903 579 QD PRO 55 QD PRO 55 3.707 -4.872 -1.354 580 H PHE 56 H PHE 56 7.748 -3.951 2.379 581 HA PHE 56 HA PHE 56 8.099 -1.358 1.642 582 1HB PHE 56 1HB PHE 56 9.102 -2.973 3.530 583 2HB PHE 56 2HB PHE 56 10.407 -3.224 2.387 584 HD1 PHE 56 HD1 PHE 56 9.186 -1.173 4.999 585 HD2 PHE 56 HD2 PHE 56 11.590 -1.083 1.502 586 HE1 PHE 56 HE1 PHE 56 10.309 0.915 5.824 587 HE2 PHE 56 HE2 PHE 56 12.712 1.004 2.328 588 HZ PHE 56 HZ PHE 56 12.059 1.978 4.479 589 QB PHE 56 QB PHE 56 9.754 -3.098 2.958 590 QD PHE 56 QD PHE 56 10.388 -1.128 3.251 591 QE PHE 56 QE PHE 56 11.511 0.960 4.076 592 QR PHE 56 QR PHE 56 11.171 0.328 3.826 593 H VAL 57 H VAL 57 9.573 -4.308 0.205 594 HA VAL 57 HA VAL 57 11.421 -2.916 -1.404 595 HB VAL 57 HB VAL 57 11.853 -5.167 -0.930 596 1HG1 VAL 57 1HG1 VAL 57 8.982 -5.613 -1.680 597 2HG1 VAL 57 2HG1 VAL 57 10.144 -6.951 -1.844 598 3HG1 VAL 57 3HG1 VAL 57 9.891 -6.181 -0.260 599 1HG2 VAL 57 3HG2 VAL 57 12.166 -4.345 -3.365 600 2HG2 VAL 57 1HG2 VAL 57 12.284 -6.091 -3.036 601 3HG2 VAL 57 2HG2 VAL 57 10.796 -5.417 -3.745 602 MG1 VAL 57 QG1 VAL 57 9.672 -6.248 -1.261 603 MG2 VAL 57 QG2 VAL 57 11.748 -5.284 -3.382 604 QG VAL 57 QQG VAL 57 10.710 -5.766 -2.322 605 H ASN 58 H ASN 58 7.971 -3.320 -1.523 606 HA ASN 58 HA ASN 58 8.040 -2.428 -4.299 607 1HB ASN 58 1HB ASN 58 6.896 -4.706 -3.692 608 2HB ASN 58 2HB ASN 58 5.648 -3.741 -2.928 609 1HD2 ASN 58 1HD2 ASN 58 4.279 -2.474 -4.135 610 2HD2 ASN 58 2HD2 ASN 58 4.110 -2.609 -5.853 611 QB ASN 58 QB ASN 58 6.272 -4.223 -3.310 612 QD ASN 58 QD2 ASN 58 4.195 -2.542 -4.994 613 H VAL 59 H VAL 59 8.005 -1.164 -1.360 614 HA VAL 59 HA VAL 59 5.498 0.199 -1.264 615 HB VAL 59 HB VAL 59 8.020 0.082 0.297 616 1HG1 VAL 59 1HG1 VAL 59 6.223 2.504 0.202 617 2HG1 VAL 59 2HG1 VAL 59 7.091 2.059 1.691 618 3HG1 VAL 59 3HG1 VAL 59 8.001 2.419 0.204 619 1HG2 VAL 59 2HG2 VAL 59 6.000 -1.305 0.789 620 2HG2 VAL 59 3HG2 VAL 59 6.511 -0.275 2.149 621 3HG2 VAL 59 1HG2 VAL 59 5.110 0.193 1.155 622 MG1 VAL 59 QG1 VAL 59 7.105 2.328 0.699 623 MG2 VAL 59 QG2 VAL 59 5.874 -0.462 1.364 624 QG VAL 59 QQG VAL 59 6.489 0.933 1.032 625 H GLN 60 H GLN 60 8.686 0.713 -2.714 626 HA GLN 60 HA GLN 60 8.313 3.495 -3.053 627 1HB GLN 60 1HB GLN 60 10.542 2.247 -2.961 628 2HB GLN 60 2HB GLN 60 10.212 1.667 -4.581 629 1HG GLN 60 1HG GLN 60 11.502 3.607 -4.975 630 2HG GLN 60 2HG GLN 60 9.863 4.180 -5.210 631 1HE2 GLN 60 1HE2 GLN 60 9.854 6.201 -4.549 632 2HE2 GLN 60 2HE2 GLN 60 10.382 6.791 -3.009 633 QB GLN 60 QB GLN 60 10.377 1.957 -3.771 634 QG GLN 60 QG GLN 60 10.682 3.893 -5.092 635 QE GLN 60 QE2 GLN 60 10.118 6.496 -3.779 636 H ALA 61 H ALA 61 8.250 0.643 -5.312 637 HA ALA 61 HA ALA 61 7.567 1.931 -7.608 638 1HB ALA 61 2HB ALA 61 7.102 -0.181 -8.406 639 2HB ALA 61 3HB ALA 61 7.961 -0.623 -6.911 640 3HB ALA 61 1HB ALA 61 6.182 -0.648 -6.956 641 MB ALA 61 QB ALA 61 7.082 -0.484 -7.425 642 H VAL 62 H VAL 62 5.459 0.988 -4.846 643 HA VAL 62 HA VAL 62 3.066 1.770 -6.157 644 HB VAL 62 HB VAL 62 3.642 1.436 -3.207 645 1HG1 VAL 62 1HG1 VAL 62 1.277 2.163 -4.672 646 2HG1 VAL 62 2HG1 VAL 62 1.036 0.565 -3.926 647 3HG1 VAL 62 3HG1 VAL 62 1.494 1.959 -2.917 648 1HG2 VAL 62 1HG2 VAL 62 4.152 -0.497 -5.002 649 2HG2 VAL 62 2HG2 VAL 62 3.492 -0.831 -3.383 650 3HG2 VAL 62 3HG2 VAL 62 2.404 -0.764 -4.791 651 MG1 VAL 62 QG1 VAL 62 1.269 1.562 -3.838 652 MG2 VAL 62 QG2 VAL 62 3.349 -0.697 -4.392 653 QG VAL 62 QQG VAL 62 2.309 0.432 -4.115 654 H LYS 63 H LYS 63 5.396 3.326 -3.892 655 HA LYS 63 HA LYS 63 3.896 5.618 -3.405 656 1HB LYS 63 1HB LYS 63 5.635 5.420 -1.942 657 2HB LYS 63 2HB LYS 63 6.740 4.788 -3.146 658 1HG LYS 63 1HG LYS 63 7.180 6.965 -4.056 659 2HG LYS 63 2HG LYS 63 5.777 7.670 -3.277 660 1HD LYS 63 1HD LYS 63 8.054 6.474 -1.649 661 2HD LYS 63 2HD LYS 63 8.118 8.128 -2.223 662 1HE LYS 63 1HE LYS 63 5.654 8.230 -1.136 663 2HE LYS 63 2HE LYS 63 6.271 6.896 -0.181 664 1HZ LYS 63 1HZ LYS 63 7.887 9.301 -0.479 665 2HZ LYS 63 2HZ LYS 63 6.654 9.291 0.591 666 3HZ LYS 63 3HZ LYS 63 7.873 8.215 0.741 667 QB LYS 63 QB LYS 63 6.188 5.104 -2.544 668 QD LYS 63 QD LYS 63 8.086 7.301 -1.936 669 QG LYS 63 QG LYS 63 6.479 7.317 -3.667 670 QE LYS 63 QE LYS 63 5.963 7.563 -0.659 671 QZ LYS 63 QZ LYS 63 7.471 8.936 0.284 672 H VAL 64 H VAL 64 5.777 4.559 -6.209 673 HA VAL 64 HA VAL 64 5.869 7.198 -7.344 674 HB VAL 64 HB VAL 64 6.707 4.436 -8.154 675 1HG1 VAL 64 1HG1 VAL 64 6.627 6.854 -9.989 676 2HG1 VAL 64 2HG1 VAL 64 7.466 5.323 -10.336 677 3HG1 VAL 64 3HG1 VAL 64 5.694 5.350 -10.174 678 1HG2 VAL 64 2HG2 VAL 64 8.110 7.087 -7.725 679 2HG2 VAL 64 3HG2 VAL 64 8.287 5.582 -6.792 680 3HG2 VAL 64 1HG2 VAL 64 8.903 5.672 -8.459 681 MG1 VAL 64 QG1 VAL 64 6.595 5.842 -10.166 682 MG2 VAL 64 QG2 VAL 64 8.433 6.113 -7.659 683 QG VAL 64 QQG VAL 64 7.514 5.978 -8.913 684 H PHE 65 H PHE 65 3.897 4.212 -7.599 685 HA PHE 65 HA PHE 65 2.484 4.916 -9.885 686 1HB PHE 65 1HB PHE 65 2.630 2.709 -8.476 687 2HB PHE 65 2HB PHE 65 1.465 3.441 -7.391 688 HD1 PHE 65 HD1 PHE 65 1.656 3.397 -11.120 689 HD2 PHE 65 HD2 PHE 65 -0.538 2.322 -7.650 690 HE1 PHE 65 HE1 PHE 65 -0.217 2.557 -12.564 691 HE2 PHE 65 HE2 PHE 65 -2.411 1.482 -9.094 692 HZ PHE 65 HZ PHE 65 -2.228 1.610 -11.534 693 QB PHE 65 QB PHE 65 2.047 3.075 -7.933 694 QD PHE 65 QD PHE 65 0.559 2.860 -9.385 695 QE PHE 65 QE PHE 65 -1.314 2.020 -10.829 696 QR PHE 65 QR PHE 65 -0.747 2.274 -10.392 697 H LEU 66 H LEU 66 1.883 5.619 -6.392 698 HA LEU 66 HA LEU 66 -0.634 6.768 -6.753 699 1HB LEU 66 1HB LEU 66 1.485 7.132 -4.636 700 2HB LEU 66 2HB LEU 66 -0.106 7.859 -4.542 701 HG LEU 66 HG LEU 66 -0.322 5.014 -5.069 702 1HD1 LEU 66 2HD1 LEU 66 1.949 5.314 -3.757 703 2HD1 LEU 66 3HD1 LEU 66 0.855 5.502 -2.366 704 3HD1 LEU 66 1HD1 LEU 66 0.801 4.017 -3.345 705 1HD2 LEU 66 1HD2 LEU 66 -1.331 6.972 -3.022 706 2HD2 LEU 66 2HD2 LEU 66 -2.227 6.054 -4.256 707 3HD2 LEU 66 3HD2 LEU 66 -1.590 5.223 -2.817 708 MD1 LEU 66 QD1 LEU 66 1.202 4.944 -3.156 709 MD2 LEU 66 QD2 LEU 66 -1.716 6.083 -3.365 710 QB LEU 66 QB LEU 66 0.689 7.495 -4.589 711 QD LEU 66 QQD LEU 66 -0.257 5.514 -3.260 712 H GLU 67 H GLU 67 2.590 8.394 -6.300 713 HA GLU 67 HA GLU 67 1.672 10.918 -6.811 714 1HB GLU 67 1HB GLU 67 4.328 9.542 -6.890 715 2HB GLU 67 2HB GLU 67 4.239 11.087 -7.713 716 1HG GLU 67 1HG GLU 67 2.905 11.134 -5.075 717 2HG GLU 67 2HG GLU 67 4.602 10.711 -4.960 718 QB GLU 67 QB GLU 67 4.284 10.315 -7.301 719 QG GLU 67 QG GLU 67 3.754 10.922 -5.017 720 H SER 68 H SER 68 2.473 8.261 -9.029 721 HA SER 68 HA SER 68 2.630 9.916 -11.309 722 1HB SER 68 1HB SER 68 2.790 7.856 -12.557 723 2HB SER 68 2HB SER 68 3.695 7.635 -11.073 724 HG SER 68 HG SER 68 1.573 6.195 -12.003 725 QB SER 68 QB SER 68 3.243 7.745 -11.815 726 H GLN 69 H GLN 69 0.097 7.923 -9.701 727 HA GLN 69 HA GLN 69 -1.770 8.440 -11.791 728 1HB GLN 69 1HB GLN 69 -3.128 6.893 -10.728 729 2HB GLN 69 2HB GLN 69 -1.570 6.392 -10.100 730 1HG GLN 69 1HG GLN 69 -2.023 8.039 -8.133 731 2HG GLN 69 2HG GLN 69 -3.677 8.095 -8.711 732 1HE2 GLN 69 1HE2 GLN 69 -5.055 6.544 -8.182 733 2HE2 GLN 69 2HE2 GLN 69 -4.674 5.071 -7.354 734 QB GLN 69 QB GLN 69 -2.349 6.642 -10.414 735 QG GLN 69 QG GLN 69 -2.850 8.067 -8.422 736 QE GLN 69 QE2 GLN 69 -4.865 5.808 -7.768 737 H GLY 70 H GLY 70 -0.420 10.528 -9.738 738 1HA GLY 70 2HA GLY 70 -2.376 12.484 -9.904 739 2HA GLY 70 1HA GLY 70 -1.015 12.481 -8.800 740 QA GLY 70 QA GLY 70 -1.695 12.482 -9.352 741 H ILE 71 H ILE 71 -1.482 10.364 -7.084 742 HA ILE 71 HA ILE 71 -4.110 11.039 -5.955 743 HB ILE 71 HB ILE 71 -3.810 8.707 -6.859 744 1HG1 ILE 71 1HG1 ILE 71 -4.346 8.509 -3.924 745 2HG1 ILE 71 2HG1 ILE 71 -5.330 9.614 -4.863 746 1HG2 ILE 71 3HG2 ILE 71 -1.392 8.627 -5.884 747 2HG2 ILE 71 1HG2 ILE 71 -2.210 8.104 -4.392 748 3HG2 ILE 71 2HG2 ILE 71 -2.400 7.159 -5.888 749 1HD1 ILE 71 1HD1 ILE 71 -5.443 7.488 -6.532 750 2HD1 ILE 71 2HD1 ILE 71 -5.171 6.623 -5.000 751 3HD1 ILE 71 3HD1 ILE 71 -6.580 7.696 -5.179 752 MG ILE 71 QG2 ILE 71 -2.001 7.963 -5.388 753 MD ILE 71 QD1 ILE 71 -5.731 7.269 -5.570 754 QG ILE 71 QG1 ILE 71 -4.838 9.061 -4.394 755 H ALA 72 H ALA 72 -4.006 10.365 -3.421 756 HA ALA 72 HA ALA 72 -1.471 11.398 -2.368 757 1HB ALA 72 3HB ALA 72 -2.528 13.313 -1.834 758 2HB ALA 72 2HB ALA 72 -3.493 12.363 -0.678 759 3HB ALA 72 1HB ALA 72 -4.107 12.654 -2.323 760 MB ALA 72 QB ALA 72 -3.376 12.777 -1.612 761 H TYR 73 H TYR 73 -0.634 10.041 -0.865 762 HA TYR 73 HA TYR 73 -2.533 8.356 0.614 763 1HB TYR 73 1HB TYR 73 -0.518 6.657 0.377 764 2HB TYR 73 2HB TYR 73 -1.533 6.893 -1.032 765 HD1 TYR 73 HD1 TYR 73 1.788 6.774 0.108 766 HD2 TYR 73 HD2 TYR 73 -0.724 8.862 -2.655 767 HE1 TYR 73 HE1 TYR 73 3.828 7.435 -1.259 768 HE2 TYR 73 HE2 TYR 73 1.324 9.516 -4.012 769 HH TYR 73 HH TYR 73 3.811 8.274 -4.228 770 QB TYR 73 QB TYR 73 -1.025 6.775 -0.327 771 QD TYR 73 QD TYR 73 0.532 7.818 -1.273 772 QE TYR 73 QE TYR 73 2.576 8.475 -2.636 773 QR TYR 73 QR TYR 73 1.554 8.147 -1.954 774 H SER 74 H SER 74 -0.737 7.019 2.250 775 HA SER 74 HA SER 74 1.178 8.791 3.309 776 1HB SER 74 1HB SER 74 -1.561 8.711 4.519 777 2HB SER 74 2HB SER 74 -0.218 8.651 5.644 778 HG SER 74 HG SER 74 0.448 10.568 3.925 779 QB SER 74 QB SER 74 -0.889 8.681 5.082 780 H ILE 75 H ILE 75 2.082 7.810 5.475 781 HA ILE 75 HA ILE 75 2.005 4.906 5.150 782 HB ILE 75 HB ILE 75 4.008 6.780 6.402 783 1HG1 ILE 75 1HG1 ILE 75 4.699 4.867 4.230 784 2HG1 ILE 75 2HG1 ILE 75 3.686 6.225 3.784 785 1HG2 ILE 75 3HG2 ILE 75 3.679 3.826 6.657 786 2HG2 ILE 75 1HG2 ILE 75 5.324 4.476 6.462 787 3HG2 ILE 75 2HG2 ILE 75 4.308 5.019 7.818 788 1HD1 ILE 75 2HD1 ILE 75 6.084 6.802 5.508 789 2HD1 ILE 75 3HD1 ILE 75 6.362 6.415 3.793 790 3HD1 ILE 75 1HD1 ILE 75 5.335 7.800 4.239 791 MG ILE 75 QG2 ILE 75 4.437 4.440 6.979 792 MD ILE 75 QD1 ILE 75 5.927 7.006 4.513 793 QG ILE 75 QG1 ILE 75 4.193 5.546 4.007 794 H MET 76 H MET 76 1.169 3.573 6.696 795 HA MET 76 HA MET 76 -0.027 4.928 8.953 796 1HB MET 76 1HB MET 76 -1.345 3.342 7.454 797 2HB MET 76 2HB MET 76 -0.293 2.034 7.961 798 1HG MET 76 1HG MET 76 -1.799 1.685 9.642 799 2HG MET 76 2HG MET 76 -1.091 3.095 10.407 800 1HE MET 76 2HE MET 76 -3.821 1.696 10.556 801 2HE MET 76 3HE MET 76 -5.187 2.797 10.256 802 3HE MET 76 1HE MET 76 -4.579 1.755 8.947 803 QB MET 76 QB MET 76 -0.819 2.688 7.708 804 QG MET 76 QG MET 76 -1.445 2.390 10.024 805 ME MET 76 QE MET 76 -4.529 2.083 9.920 806 H ILE 77 H ILE 77 1.546 1.675 8.489 807 HA ILE 77 HA ILE 77 2.908 2.150 11.049 808 HB ILE 77 HB ILE 77 1.207 0.482 11.309 809 1HG1 ILE 77 1HG1 ILE 77 2.620 -1.461 11.994 810 2HG1 ILE 77 2HG1 ILE 77 3.988 -0.721 11.185 811 1HG2 ILE 77 3HG2 ILE 77 2.495 -0.955 8.972 812 2HG2 ILE 77 1HG2 ILE 77 1.203 -1.608 10.008 813 3HG2 ILE 77 2HG2 ILE 77 0.894 -0.180 8.993 814 1HD1 ILE 77 3HD1 ILE 77 2.781 1.290 12.856 815 2HD1 ILE 77 1HD1 ILE 77 2.987 -0.188 13.825 816 3HD1 ILE 77 2HD1 ILE 77 4.390 0.547 13.013 817 MG ILE 77 QG2 ILE 77 1.531 -0.915 9.324 818 MD ILE 77 QD1 ILE 77 3.386 0.549 13.232 819 QG ILE 77 QG1 ILE 77 3.304 -1.091 11.590 820 H GLU 78 H GLU 78 5.050 1.052 11.251 821 HA GLU 78 HA GLU 78 6.273 0.780 8.616 822 1HB GLU 78 1HB GLU 78 6.780 2.923 10.111 823 2HB GLU 78 2HB GLU 78 7.845 1.830 10.972 824 1HG GLU 78 1HG GLU 78 9.396 2.290 9.375 825 2HG GLU 78 2HG GLU 78 8.453 1.271 8.306 826 QB GLU 78 QB GLU 78 7.312 2.377 10.542 827 QG GLU 78 QG GLU 78 8.925 1.781 8.841 828 H ASP 79 H ASP 79 8.890 0.309 10.268 829 HA ASP 79 HA ASP 79 8.350 -2.506 10.613 830 1HB ASP 79 1HB ASP 79 11.016 -2.330 11.011 831 2HB ASP 79 2HB ASP 79 10.313 -2.402 9.408 832 QB ASP 79 QB ASP 79 10.664 -2.366 10.210 833 H VAL 80 H VAL 80 7.157 -2.088 12.711 834 HA VAL 80 HA VAL 80 8.023 -0.737 14.869 835 HB VAL 80 HB VAL 80 5.927 -2.146 14.474 836 1HG1 VAL 80 2HG1 VAL 80 7.472 -4.268 14.248 837 2HG1 VAL 80 3HG1 VAL 80 7.320 -4.309 16.021 838 3HG1 VAL 80 1HG1 VAL 80 5.865 -4.393 15.002 839 1HG2 VAL 80 2HG2 VAL 80 7.328 -2.035 17.160 840 2HG2 VAL 80 3HG2 VAL 80 6.149 -0.882 16.489 841 3HG2 VAL 80 1HG2 VAL 80 5.627 -2.518 16.957 842 MG1 VAL 80 QG1 VAL 80 6.886 -4.323 15.091 843 MG2 VAL 80 QG2 VAL 80 6.368 -1.812 16.869 844 QG VAL 80 QQG VAL 80 6.627 -3.068 15.980 845 H GLN 81 H GLN 81 10.091 -0.602 15.607 846 HA GLN 81 HA GLN 81 12.047 -2.406 15.262 847 1HB GLN 81 1HB GLN 81 13.206 -1.309 17.152 848 2HB GLN 81 2HB GLN 81 12.403 -0.129 16.134 849 1HG GLN 81 1HG GLN 81 10.411 -0.248 17.758 850 2HG GLN 81 2HG GLN 81 11.428 -1.202 18.818 851 1HE2 GLN 81 1HE2 GLN 81 10.227 1.683 18.605 852 2HE2 GLN 81 2HE2 GLN 81 11.506 2.704 19.169 853 QB GLN 81 QB GLN 81 12.804 -0.719 16.643 854 QG GLN 81 QG GLN 81 10.919 -0.725 18.288 855 QE GLN 81 QE2 GLN 81 10.866 2.194 18.887 No H/Q in entry = 855 Start of MODEL 14 1 H MET 1 H MET 1 31.732 -17.379 14.005 2 HA MET 1 HA MET 1 33.654 -15.900 13.872 3 1HB MET 1 1HB MET 1 33.570 -18.130 12.658 4 2HB MET 1 2HB MET 1 32.931 -17.314 11.245 5 1HG MET 1 1HG MET 1 35.050 -15.823 11.319 6 2HG MET 1 2HG MET 1 35.687 -16.950 12.500 7 1HE MET 1 3HE MET 1 34.823 -16.060 9.071 8 2HE MET 1 1HE MET 1 36.588 -16.286 9.056 9 3HE MET 1 2HE MET 1 35.550 -17.324 8.050 10 QB MET 1 QB MET 1 33.250 -17.722 11.951 11 QG MET 1 QG MET 1 35.368 -16.387 11.909 12 ME MET 1 QE MET 1 35.654 -16.557 8.726 13 H ARG 2 H ARG 2 31.453 -15.650 10.983 14 HA ARG 2 HA ARG 2 31.416 -12.907 11.023 15 1HB ARG 2 1HB ARG 2 33.890 -13.342 10.333 16 2HB ARG 2 2HB ARG 2 33.252 -13.918 8.806 17 1HG ARG 2 1HG ARG 2 33.647 -11.648 8.335 18 2HG ARG 2 2HG ARG 2 31.942 -11.638 8.742 19 1HD ARG 2 1HD ARG 2 32.827 -11.208 11.219 20 2HD ARG 2 2HD ARG 2 34.291 -10.690 10.407 21 HE ARG 2 HE ARG 2 32.214 -9.377 9.055 22 1HH1 ARG 2 2HH1 ARG 2 31.531 -7.256 9.558 23 2HH1 ARG 2 1HH1 ARG 2 31.812 -6.608 11.140 24 1HH2 ARG 2 2HH2 ARG 2 33.400 -9.503 12.366 25 2HH2 ARG 2 1HH2 ARG 2 32.882 -7.895 12.748 26 QB ARG 2 QB ARG 2 33.571 -13.630 9.570 27 QG ARG 2 QG ARG 2 32.795 -11.643 8.539 28 QD ARG 2 QD ARG 2 33.559 -10.949 10.813 29 QH1 ARG 2 QH1 ARG 2 31.671 -6.932 10.349 30 QH2 ARG 2 QH2 ARG 2 33.141 -8.699 12.557 31 H SER 3 H SER 3 29.233 -13.127 10.431 32 HA SER 3 HA SER 3 28.639 -13.359 7.754 33 1HB SER 3 1HB SER 3 29.164 -15.837 8.398 34 2HB SER 3 2HB SER 3 27.632 -15.803 9.248 35 HG SER 3 HG SER 3 26.778 -14.930 7.069 36 QB SER 3 QB SER 3 28.398 -15.820 8.823 37 H LEU 4 H LEU 4 26.479 -12.644 7.386 38 HA LEU 4 HA LEU 4 24.716 -12.558 9.700 39 1HB LEU 4 1HB LEU 4 25.529 -10.104 8.135 40 2HB LEU 4 2HB LEU 4 24.252 -10.171 9.334 41 HG LEU 4 HG LEU 4 26.847 -11.129 10.334 42 1HD1 LEU 4 2HD1 LEU 4 27.441 -9.279 8.662 43 2HD1 LEU 4 3HD1 LEU 4 26.649 -8.167 9.804 44 3HD1 LEU 4 1HD1 LEU 4 28.056 -9.126 10.325 45 1HD2 LEU 4 2HD2 LEU 4 24.469 -9.703 11.270 46 2HD2 LEU 4 3HD2 LEU 4 25.594 -10.769 12.145 47 3HD2 LEU 4 1HD2 LEU 4 25.989 -9.047 11.923 48 MD1 LEU 4 QD1 LEU 4 27.382 -8.857 9.597 49 MD2 LEU 4 QD2 LEU 4 25.351 -9.840 11.779 50 QB LEU 4 QB LEU 4 24.890 -10.137 8.734 51 QD LEU 4 QQD LEU 4 26.366 -9.348 10.688 52 H GLU 5 H GLU 5 22.452 -11.888 9.018 53 HA GLU 5 HA GLU 5 22.046 -12.791 6.273 54 1HB GLU 5 1HB GLU 5 21.232 -14.285 8.225 55 2HB GLU 5 2HB GLU 5 20.021 -13.055 8.527 56 1HG GLU 5 1HG GLU 5 18.808 -13.581 6.637 57 2HG GLU 5 2HG GLU 5 20.239 -13.897 5.675 58 QB GLU 5 QB GLU 5 20.627 -13.670 8.376 59 QG GLU 5 QG GLU 5 19.523 -13.739 6.156 60 H THR 6 H THR 6 19.944 -11.927 5.262 61 HA THR 6 HA THR 6 19.242 -9.290 6.338 62 HB THR 6 HB THR 6 19.491 -8.363 4.024 63 HG1 THR 6 HG1 THR 6 19.559 -9.975 2.512 64 1HG2 THR 6 2HG2 THR 6 21.941 -9.852 5.099 65 2HG2 THR 6 3HG2 THR 6 22.010 -8.707 3.737 66 3HG2 THR 6 1HG2 THR 6 21.533 -8.138 5.356 67 MG THR 6 QG2 THR 6 21.828 -8.899 4.731 68 H PHE 7 H PHE 7 17.199 -8.430 5.457 69 HA PHE 7 HA PHE 7 15.517 -10.164 3.981 70 1HB PHE 7 1HB PHE 7 15.351 -9.915 7.026 71 2HB PHE 7 2HB PHE 7 13.893 -10.226 6.107 72 HD1 PHE 7 HD1 PHE 7 16.344 -11.765 7.954 73 HD2 PHE 7 HD2 PHE 7 14.292 -12.209 4.266 74 HE1 PHE 7 HE1 PHE 7 16.862 -14.221 7.961 75 HE2 PHE 7 HE2 PHE 7 14.810 -14.665 4.273 76 HZ PHE 7 HZ PHE 7 16.089 -15.642 6.120 77 QB PHE 7 QB PHE 7 14.622 -10.070 6.566 78 QD PHE 7 QD PHE 7 15.318 -11.987 6.110 79 QE PHE 7 QE PHE 7 15.836 -14.443 6.117 80 QR PHE 7 QR PHE 7 15.679 -13.700 6.115 81 H VAL 8 H VAL 8 13.021 -9.267 4.542 82 HA VAL 8 HA VAL 8 13.149 -6.392 4.915 83 HB VAL 8 HB VAL 8 11.775 -7.440 2.467 84 1HG1 VAL 8 3HG1 VAL 8 12.860 -4.774 3.394 85 2HG1 VAL 8 1HG1 VAL 8 12.432 -5.082 1.694 86 3HG1 VAL 8 2HG1 VAL 8 11.190 -5.211 2.963 87 1HG2 VAL 8 3HG2 VAL 8 14.713 -6.692 2.645 88 2HG2 VAL 8 1HG2 VAL 8 14.041 -8.289 2.237 89 3HG2 VAL 8 2HG2 VAL 8 13.801 -6.913 1.133 90 MG1 VAL 8 QG1 VAL 8 12.161 -5.022 2.684 91 MG2 VAL 8 QG2 VAL 8 14.185 -7.298 2.005 92 QG VAL 8 QQG VAL 8 13.173 -6.160 2.345 93 H GLY 9 H GLY 9 10.894 -5.458 5.074 94 1HA GLY 9 2HA GLY 9 9.288 -6.050 6.878 95 2HA GLY 9 1HA GLY 9 8.987 -7.529 5.988 96 QA GLY 9 QA GLY 9 9.137 -6.789 6.433 97 H ASP 10 H ASP 10 6.702 -6.412 6.247 98 HA ASP 10 HA ASP 10 6.207 -5.190 3.690 99 1HB ASP 10 1HB ASP 10 3.739 -5.404 4.765 100 2HB ASP 10 2HB ASP 10 4.541 -6.756 3.990 101 QB ASP 10 QB ASP 10 4.140 -6.080 4.378 102 H GLN 11 H GLN 11 3.988 -3.592 4.098 103 HA GLN 11 HA GLN 11 4.100 -2.013 6.390 104 1HB GLN 11 1HB GLN 11 6.269 -1.349 5.098 105 2HB GLN 11 2HB GLN 11 5.196 -0.550 3.964 106 1HG GLN 11 1HG GLN 11 4.149 0.619 6.048 107 2HG GLN 11 2HG GLN 11 5.551 0.043 6.929 108 1HE2 GLN 11 1HE2 GLN 11 7.531 0.928 6.613 109 2HE2 GLN 11 2HE2 GLN 11 7.839 2.332 5.647 110 QB GLN 11 QB GLN 11 5.732 -0.950 4.531 111 QG GLN 11 QG GLN 11 4.850 0.331 6.489 112 QE GLN 11 QE2 GLN 11 7.685 1.630 6.130 113 H VAL 12 H VAL 12 2.174 -0.866 6.549 114 HA VAL 12 HA VAL 12 0.420 -1.083 4.238 115 HB VAL 12 HB VAL 12 -0.469 0.019 6.856 116 1HG1 VAL 12 1HG1 VAL 12 -1.625 -1.910 4.819 117 2HG1 VAL 12 2HG1 VAL 12 -2.422 -1.479 6.350 118 3HG1 VAL 12 3HG1 VAL 12 -2.115 -0.227 5.123 119 1HG2 VAL 12 3HG2 VAL 12 0.749 -2.676 6.501 120 2HG2 VAL 12 1HG2 VAL 12 0.630 -1.649 7.950 121 3HG2 VAL 12 2HG2 VAL 12 -0.778 -2.597 7.411 122 MG1 VAL 12 QG1 VAL 12 -2.054 -1.205 5.431 123 MG2 VAL 12 QG2 VAL 12 0.200 -2.307 7.287 124 QG VAL 12 QQG VAL 12 -0.927 -1.756 6.359 125 H LEU 13 H LEU 13 -1.109 0.876 3.893 126 HA LEU 13 HA LEU 13 0.038 3.419 4.571 127 1HB LEU 13 1HB LEU 13 0.767 4.127 2.525 128 2HB LEU 13 2HB LEU 13 1.335 2.470 2.565 129 HG LEU 13 HG LEU 13 -1.189 2.295 1.373 130 1HD1 LEU 13 3HD1 LEU 13 -1.276 4.713 1.102 131 2HD1 LEU 13 1HD1 LEU 13 0.299 4.695 0.274 132 3HD1 LEU 13 2HD1 LEU 13 -1.109 3.907 -0.477 133 1HD2 LEU 13 1HD2 LEU 13 1.622 1.890 0.662 134 2HD2 LEU 13 2HD2 LEU 13 0.188 0.893 0.314 135 3HD2 LEU 13 3HD2 LEU 13 0.586 2.275 -0.735 136 MD1 LEU 13 QD1 LEU 13 -0.695 4.438 0.300 137 MD2 LEU 13 QD2 LEU 13 0.798 1.686 0.080 138 QB LEU 13 QB LEU 13 1.051 3.299 2.545 139 QD LEU 13 QQD LEU 13 0.052 3.062 0.190 140 H GLU 14 H GLU 14 -1.482 5.107 4.367 141 HA GLU 14 HA GLU 14 -4.152 4.101 3.863 142 1HB GLU 14 1HB GLU 14 -3.585 6.830 5.022 143 2HB GLU 14 2HB GLU 14 -4.950 5.771 5.315 144 1HG GLU 14 1HG GLU 14 -3.882 5.141 7.222 145 2HG GLU 14 2HG GLU 14 -2.806 4.219 6.193 146 QB GLU 14 QB GLU 14 -4.268 6.301 5.169 147 QG GLU 14 QG GLU 14 -3.344 4.680 6.707 148 H ILE 15 H ILE 15 -5.191 4.598 1.981 149 HA ILE 15 HA ILE 15 -4.116 6.865 0.455 150 HB ILE 15 HB ILE 15 -5.583 4.420 -0.542 151 1HG1 ILE 15 1HG1 ILE 15 -2.695 4.938 -1.123 152 2HG1 ILE 15 2HG1 ILE 15 -3.116 4.289 0.450 153 1HG2 ILE 15 1HG2 ILE 15 -5.612 6.768 -1.773 154 2HG2 ILE 15 2HG2 ILE 15 -4.002 6.231 -2.310 155 3HG2 ILE 15 3HG2 ILE 15 -5.436 5.238 -2.666 156 1HD1 ILE 15 3HD1 ILE 15 -4.308 3.044 -2.040 157 2HD1 ILE 15 1HD1 ILE 15 -2.650 2.631 -1.539 158 3HD1 ILE 15 2HD1 ILE 15 -4.017 2.305 -0.446 159 MG ILE 15 QG2 ILE 15 -5.017 6.079 -2.250 160 MD ILE 15 QD1 ILE 15 -3.658 2.660 -1.342 161 QG ILE 15 QG1 ILE 15 -2.906 4.613 -0.336 162 H VAL 16 H VAL 16 -5.536 8.428 -0.376 163 HA VAL 16 HA VAL 16 -8.305 8.166 0.572 164 HB VAL 16 HB VAL 16 -6.538 10.621 0.547 165 1HG1 VAL 16 1HG1 VAL 16 -9.401 10.368 0.451 166 2HG1 VAL 16 2HG1 VAL 16 -8.924 11.059 2.020 167 3HG1 VAL 16 3HG1 VAL 16 -8.403 11.841 0.508 168 1HG2 VAL 16 2HG2 VAL 16 -7.207 8.613 2.602 169 2HG2 VAL 16 3HG2 VAL 16 -5.848 9.759 2.512 170 3HG2 VAL 16 1HG2 VAL 16 -7.431 10.303 3.118 171 MG1 VAL 16 QG1 VAL 16 -8.909 11.089 0.993 172 MG2 VAL 16 QG2 VAL 16 -6.829 9.558 2.744 173 QG VAL 16 QQG VAL 16 -7.869 10.324 1.868 174 HA PRO 17 HA PRO 17 -8.554 8.697 -3.835 175 1HB PRO 17 1HB PRO 17 -10.819 7.210 -4.195 176 2HB PRO 17 2HB PRO 17 -9.204 6.533 -4.278 177 1HG PRO 17 1HG PRO 17 -11.206 6.291 -2.117 178 2HG PRO 17 2HG PRO 17 -9.791 5.303 -2.417 179 1HD PRO 17 1HD PRO 17 -10.069 7.341 -0.417 180 2HD PRO 17 2HD PRO 17 -8.617 6.434 -0.795 181 QB PRO 17 QB PRO 17 -10.012 6.872 -4.236 182 QG PRO 17 QG PRO 17 -10.498 5.797 -2.267 183 QD PRO 17 QD PRO 17 -9.343 6.887 -0.606 184 H SER 18 H SER 18 -10.708 9.164 -5.288 185 HA SER 18 HA SER 18 -12.698 10.556 -3.996 186 1HB SER 18 1HB SER 18 -10.621 12.079 -3.551 187 2HB SER 18 2HB SER 18 -10.730 12.500 -5.249 188 HG SER 18 HG SER 18 -13.163 12.638 -3.816 189 QB SER 18 QB SER 18 -10.676 12.290 -4.400 190 H ASN 19 H ASN 19 -10.537 10.225 -6.838 191 HA ASN 19 HA ASN 19 -12.829 10.784 -8.537 192 1HB ASN 19 1HB ASN 19 -9.821 10.731 -9.091 193 2HB ASN 19 2HB ASN 19 -11.008 10.859 -10.374 194 1HD2 ASN 19 1HD2 ASN 19 -9.305 12.824 -10.288 195 2HD2 ASN 19 2HD2 ASN 19 -9.960 14.286 -9.630 196 QB ASN 19 QB ASN 19 -10.414 10.795 -9.733 197 QD ASN 19 QD2 ASN 19 -9.632 13.555 -9.959 198 H GLU 20 H GLU 20 -13.293 9.227 -10.302 199 HA GLU 20 HA GLU 20 -12.960 6.579 -9.504 200 1HB GLU 20 1HB GLU 20 -13.940 7.863 -12.081 201 2HB GLU 20 2HB GLU 20 -13.913 6.124 -11.867 202 1HG GLU 20 1HG GLU 20 -15.731 6.145 -10.482 203 2HG GLU 20 2HG GLU 20 -15.126 7.506 -9.558 204 QB GLU 20 QB GLU 20 -13.927 6.993 -11.974 205 QG GLU 20 QG GLU 20 -15.429 6.825 -10.020 206 H GLU 21 H GLU 21 -11.263 8.682 -11.863 207 HA GLU 21 HA GLU 21 -9.863 6.676 -13.149 208 1HB GLU 21 1HB GLU 21 -9.824 8.764 -14.222 209 2HB GLU 21 2HB GLU 21 -9.467 9.640 -12.747 210 1HG GLU 21 1HG GLU 21 -7.492 9.526 -14.280 211 2HG GLU 21 2HG GLU 21 -7.164 8.790 -12.724 212 QB GLU 21 QB GLU 21 -9.645 9.202 -13.485 213 QG GLU 21 QG GLU 21 -7.328 9.158 -13.502 214 H GLN 22 H GLN 22 -9.115 8.616 -10.197 215 HA GLN 22 HA GLN 22 -6.544 7.586 -9.887 216 1HB GLN 22 1HB GLN 22 -8.495 9.118 -8.206 217 2HB GLN 22 2HB GLN 22 -7.207 8.298 -7.348 218 1HG GLN 22 1HG GLN 22 -5.985 10.172 -7.826 219 2HG GLN 22 2HG GLN 22 -5.773 9.432 -9.400 220 1HE2 GLN 22 1HE2 GLN 22 -6.915 12.080 -7.688 221 2HE2 GLN 22 2HE2 GLN 22 -7.794 12.899 -8.937 222 QB GLN 22 QB GLN 22 -7.851 8.708 -7.777 223 QG GLN 22 QG GLN 22 -5.879 9.802 -8.613 224 QE GLN 22 QE2 GLN 22 -7.355 12.489 -8.312 225 H ILE 23 H ILE 23 -9.782 6.562 -8.695 226 HA ILE 23 HA ILE 23 -8.733 4.515 -7.025 227 HB ILE 23 HB ILE 23 -11.418 5.413 -7.955 228 1HG1 ILE 23 1HG1 ILE 23 -10.150 4.906 -5.249 229 2HG1 ILE 23 2HG1 ILE 23 -10.429 6.463 -6.002 230 1HG2 ILE 23 2HG2 ILE 23 -10.728 2.630 -7.256 231 2HG2 ILE 23 3HG2 ILE 23 -12.105 3.320 -6.363 232 3HG2 ILE 23 1HG2 ILE 23 -12.124 3.288 -8.143 233 1HD1 ILE 23 3HD1 ILE 23 -12.941 5.109 -6.051 234 2HD1 ILE 23 1HD1 ILE 23 -12.259 4.862 -4.426 235 3HD1 ILE 23 2HD1 ILE 23 -12.483 6.512 -5.056 236 MG ILE 23 QG2 ILE 23 -11.652 3.079 -7.254 237 MD ILE 23 QD1 ILE 23 -12.561 5.494 -5.178 238 QG ILE 23 QG1 ILE 23 -10.289 5.684 -5.625 239 H LYS 24 H LYS 24 -9.776 4.794 -10.427 240 HA LYS 24 HA LYS 24 -9.932 2.031 -10.918 241 1HB LYS 24 1HB LYS 24 -11.031 3.256 -12.512 242 2HB LYS 24 2HB LYS 24 -9.829 4.531 -12.544 243 1HG LYS 24 1HG LYS 24 -8.324 3.245 -13.892 244 2HG LYS 24 2HG LYS 24 -9.148 1.740 -13.536 245 1HD LYS 24 1HD LYS 24 -11.076 3.538 -14.710 246 2HD LYS 24 2HD LYS 24 -9.636 3.578 -15.708 247 1HE LYS 24 1HE LYS 24 -10.814 0.931 -14.779 248 2HE LYS 24 2HE LYS 24 -11.440 1.742 -16.201 249 1HZ LYS 24 2HZ LYS 24 -8.849 1.839 -16.679 250 2HZ LYS 24 3HZ LYS 24 -8.903 0.453 -15.817 251 3HZ LYS 24 1HZ LYS 24 -9.800 0.606 -17.173 252 QB LYS 24 QB LYS 24 -10.430 3.894 -12.528 253 QD LYS 24 QD LYS 24 -10.356 3.558 -15.209 254 QG LYS 24 QG LYS 24 -8.736 2.493 -13.714 255 QE LYS 24 QE LYS 24 -11.127 1.336 -15.490 256 QZ LYS 24 QZ LYS 24 -9.184 0.966 -16.557 257 H ASN 25 H ASN 25 -7.269 4.235 -10.418 258 HA ASN 25 HA ASN 25 -5.374 2.889 -11.951 259 1HB ASN 25 1HB ASN 25 -5.333 5.240 -10.673 260 2HB ASN 25 2HB ASN 25 -4.668 4.297 -9.353 261 1HD2 ASN 25 1HD2 ASN 25 -4.306 4.947 -12.820 262 2HD2 ASN 25 2HD2 ASN 25 -2.584 4.787 -12.903 263 QB ASN 25 QB ASN 25 -5.001 4.768 -10.013 264 QD ASN 25 QD2 ASN 25 -3.445 4.867 -12.862 265 H LEU 26 H LEU 26 -6.279 2.807 -8.426 266 HA LEU 26 HA LEU 26 -4.408 0.937 -7.613 267 1HB LEU 26 1HB LEU 26 -6.166 2.462 -6.362 268 2HB LEU 26 2HB LEU 26 -7.136 1.003 -6.403 269 HG LEU 26 HG LEU 26 -4.844 -0.044 -5.447 270 1HD1 LEU 26 3HD1 LEU 26 -4.045 2.509 -5.507 271 2HD1 LEU 26 1HD1 LEU 26 -4.808 2.494 -3.899 272 3HD1 LEU 26 2HD1 LEU 26 -3.495 1.350 -4.274 273 1HD2 LEU 26 2HD2 LEU 26 -7.039 1.320 -3.870 274 2HD2 LEU 26 3HD2 LEU 26 -6.989 -0.371 -4.422 275 3HD2 LEU 26 1HD2 LEU 26 -5.848 0.193 -3.178 276 MD1 LEU 26 QD1 LEU 26 -4.116 2.118 -4.560 277 MD2 LEU 26 QD2 LEU 26 -6.625 0.381 -3.823 278 QB LEU 26 QB LEU 26 -6.651 1.733 -6.382 279 QD LEU 26 QQD LEU 26 -5.371 1.249 -4.192 280 H LEU 27 H LEU 27 -7.891 0.380 -8.507 281 HA LEU 27 HA LEU 27 -7.967 -2.304 -8.325 282 1HB LEU 27 1HB LEU 27 -9.292 -0.293 -10.060 283 2HB LEU 27 2HB LEU 27 -9.461 -1.974 -10.525 284 HG LEU 27 HG LEU 27 -9.978 -1.695 -7.697 285 1HD1 LEU 27 3HD1 LEU 27 -10.530 0.641 -8.295 286 2HD1 LEU 27 1HD1 LEU 27 -11.722 0.035 -9.471 287 3HD1 LEU 27 2HD1 LEU 27 -11.942 -0.288 -7.734 288 1HD2 LEU 27 1HD2 LEU 27 -11.367 -2.744 -10.130 289 2HD2 LEU 27 2HD2 LEU 27 -10.883 -3.579 -8.635 290 3HD2 LEU 27 3HD2 LEU 27 -12.303 -2.507 -8.636 291 MD1 LEU 27 QD1 LEU 27 -11.398 0.129 -8.500 292 MD2 LEU 27 QD2 LEU 27 -11.518 -2.943 -9.134 293 QB LEU 27 QB LEU 27 -9.377 -1.134 -10.293 294 QD LEU 27 QQD LEU 27 -11.458 -1.407 -8.817 295 H GLN 28 H GLN 28 -6.771 -0.412 -11.178 296 HA GLN 28 HA GLN 28 -6.169 -2.587 -12.732 297 1HB GLN 28 1HB GLN 28 -6.092 0.057 -13.139 298 2HB GLN 28 2HB GLN 28 -4.387 -0.155 -12.794 299 1HG GLN 28 1HG GLN 28 -5.211 -2.267 -14.593 300 2HG GLN 28 2HG GLN 28 -5.792 -0.745 -15.236 301 1HE2 GLN 28 1HE2 GLN 28 -3.405 -2.806 -15.539 302 2HE2 GLN 28 2HE2 GLN 28 -2.044 -1.786 -15.870 303 QB GLN 28 QB GLN 28 -5.239 -0.049 -12.967 304 QG GLN 28 QG GLN 28 -5.501 -1.506 -14.914 305 QE GLN 28 QE2 GLN 28 -2.724 -2.296 -15.705 306 H LEU 29 H LEU 29 -4.316 -1.002 -10.102 307 HA LEU 29 HA LEU 29 -1.903 -2.368 -10.592 308 1HB LEU 29 1HB LEU 29 -1.703 -0.428 -9.363 309 2HB LEU 29 2HB LEU 29 -3.078 -0.792 -8.340 310 HG LEU 29 HG LEU 29 -1.670 -2.671 -7.334 311 1HD1 LEU 29 3HD1 LEU 29 0.195 -1.664 -9.321 312 2HD1 LEU 29 1HD1 LEU 29 0.891 -1.631 -7.683 313 3HD1 LEU 29 2HD1 LEU 29 0.249 -3.152 -8.348 314 1HD2 LEU 29 3HD2 LEU 29 -1.204 0.267 -6.961 315 2HD2 LEU 29 1HD2 LEU 29 -2.012 -0.909 -5.896 316 3HD2 LEU 29 2HD2 LEU 29 -0.237 -0.905 -6.033 317 MD1 LEU 29 QD1 LEU 29 0.445 -2.149 -8.451 318 MD2 LEU 29 QD2 LEU 29 -1.151 -0.515 -6.297 319 QB LEU 29 QB LEU 29 -2.390 -0.610 -8.852 320 QD LEU 29 QQD LEU 29 -0.353 -1.332 -7.374 321 H GLU 30 H GLU 30 -4.400 -2.875 -7.992 322 HA GLU 30 HA GLU 30 -3.380 -5.176 -7.013 323 1HB GLU 30 1HB GLU 30 -5.504 -3.699 -6.378 324 2HB GLU 30 2HB GLU 30 -6.375 -4.906 -7.304 325 1HG GLU 30 1HG GLU 30 -4.629 -6.420 -5.683 326 2HG GLU 30 2HG GLU 30 -5.166 -5.126 -4.631 327 QB GLU 30 QB GLU 30 -5.940 -4.303 -6.841 328 QG GLU 30 QG GLU 30 -4.898 -5.773 -5.157 329 H ALA 31 H ALA 31 -5.276 -4.665 -9.993 330 HA ALA 31 HA ALA 31 -6.074 -7.254 -10.503 331 1HB ALA 31 1HB ALA 31 -5.379 -6.114 -12.977 332 2HB ALA 31 2HB ALA 31 -6.958 -6.018 -12.163 333 3HB ALA 31 3HB ALA 31 -5.755 -4.728 -11.925 334 MB ALA 31 QB ALA 31 -6.031 -5.620 -12.355 335 H GLN 32 H GLN 32 -2.952 -5.589 -11.274 336 HA GLN 32 HA GLN 32 -1.806 -7.581 -12.717 337 1HB GLN 32 1HB GLN 32 -0.750 -5.408 -10.921 338 2HB GLN 32 2HB GLN 32 0.384 -6.614 -11.494 339 1HG GLN 32 1HG GLN 32 -1.480 -5.041 -13.333 340 2HG GLN 32 2HG GLN 32 0.169 -4.562 -12.985 341 1HE2 GLN 32 1HE2 GLN 32 1.895 -6.060 -13.483 342 2HE2 GLN 32 2HE2 GLN 32 1.756 -7.134 -14.834 343 QB GLN 32 QB GLN 32 -0.183 -6.011 -11.207 344 QG GLN 32 QG GLN 32 -0.655 -4.801 -13.159 345 QE GLN 32 QE2 GLN 32 1.826 -6.597 -14.159 346 H GLU 33 H GLU 33 -1.922 -9.730 -12.134 347 HA GLU 33 HA GLU 33 -2.185 -10.821 -9.754 348 1HB GLU 33 1HB GLU 33 -0.779 -11.698 -12.248 349 2HB GLU 33 2HB GLU 33 -0.492 -12.668 -10.817 350 1HG GLU 33 1HG GLU 33 -3.342 -11.975 -11.130 351 2HG GLU 33 2HG GLU 33 -2.721 -12.842 -12.521 352 QB GLU 33 QB GLU 33 -0.635 -12.183 -11.533 353 QG GLU 33 QG GLU 33 -3.031 -12.409 -11.826 354 H HIS 34 H HIS 34 1.091 -10.261 -11.247 355 HA HIS 34 HA HIS 34 2.669 -11.058 -9.246 356 1HB HIS 34 1HB HIS 34 3.214 -8.444 -10.644 357 2HB HIS 34 2HB HIS 34 4.357 -9.668 -10.126 358 HD1 HIS 34 HD1 HIS 34 3.991 -12.112 -11.474 359 HD2 HIS 34 HD2 HIS 34 2.614 -8.598 -13.303 360 HE1 HIS 34 HE1 HIS 34 3.734 -12.652 -13.954 361 HE2 HIS 34 HE2 HIS 34 2.833 -10.471 -15.017 362 QB HIS 34 QB HIS 34 3.785 -9.056 -10.385 363 H LEU 35 H LEU 35 0.853 -7.951 -9.416 364 HA LEU 35 HA LEU 35 1.773 -7.359 -6.703 365 1HB LEU 35 1HB LEU 35 0.723 -5.728 -8.979 366 2HB LEU 35 2HB LEU 35 0.502 -5.145 -7.341 367 HG LEU 35 HG LEU 35 3.170 -5.825 -8.610 368 1HD1 LEU 35 1HD1 LEU 35 1.816 -3.762 -9.432 369 2HD1 LEU 35 2HD1 LEU 35 2.285 -3.052 -7.868 370 3HD1 LEU 35 3HD1 LEU 35 3.538 -3.578 -9.018 371 1HD2 LEU 35 1HD2 LEU 35 2.460 -4.709 -5.891 372 2HD2 LEU 35 2HD2 LEU 35 3.344 -6.206 -6.269 373 3HD2 LEU 35 3HD2 LEU 35 4.090 -4.624 -6.600 374 MD1 LEU 35 QD1 LEU 35 2.546 -3.464 -8.773 375 MD2 LEU 35 QD2 LEU 35 3.298 -5.179 -6.253 376 QB LEU 35 QB LEU 35 0.613 -5.436 -8.160 377 QD LEU 35 QQD LEU 35 2.922 -4.322 -7.513 378 H GLN 36 H GLN 36 0.146 -9.544 -6.725 379 HA GLN 36 HA GLN 36 -2.571 -8.896 -6.643 380 1HB GLN 36 1HB GLN 36 -0.861 -11.237 -5.902 381 2HB GLN 36 2HB GLN 36 -2.433 -11.161 -5.133 382 1HG GLN 36 1HG GLN 36 -2.841 -10.494 -7.893 383 2HG GLN 36 2HG GLN 36 -1.786 -11.893 -7.867 384 1HE2 GLN 36 1HE2 GLN 36 -4.937 -10.736 -7.563 385 2HE2 GLN 36 2HE2 GLN 36 -5.737 -12.176 -7.031 386 QB GLN 36 QB GLN 36 -1.647 -11.199 -5.517 387 QG GLN 36 QG GLN 36 -2.313 -11.193 -7.880 388 QE GLN 36 QE2 GLN 36 -5.337 -11.456 -7.297 389 H LEU 37 H LEU 37 -2.076 -6.813 -5.301 390 HA LEU 37 HA LEU 37 -1.550 -7.212 -2.526 391 1HB LEU 37 1HB LEU 37 -2.755 -4.720 -3.658 392 2HB LEU 37 2HB LEU 37 -1.612 -4.912 -2.344 393 HG LEU 37 HG LEU 37 -0.418 -5.867 -4.789 394 1HD1 LEU 37 3HD1 LEU 37 -2.014 -3.380 -5.012 395 2HD1 LEU 37 1HD1 LEU 37 -0.349 -3.309 -5.640 396 3HD1 LEU 37 2HD1 LEU 37 -1.483 -4.531 -6.263 397 1HD2 LEU 37 3HD2 LEU 37 0.169 -4.003 -2.571 398 2HD2 LEU 37 1HD2 LEU 37 1.187 -5.245 -3.338 399 3HD2 LEU 37 2HD2 LEU 37 0.991 -3.653 -4.110 400 MD1 LEU 37 QD1 LEU 37 -1.282 -3.740 -5.638 401 MD2 LEU 37 QD2 LEU 37 0.782 -4.300 -3.340 402 QB LEU 37 QB LEU 37 -2.184 -4.816 -3.001 403 QD LEU 37 QQD LEU 37 -0.250 -4.020 -4.489 404 H ASP 38 H ASP 38 -3.147 -6.351 -0.827 405 HA ASP 38 HA ASP 38 -5.846 -7.088 -1.633 406 1HB ASP 38 1HB ASP 38 -4.384 -8.749 -0.120 407 2HB ASP 38 2HB ASP 38 -4.834 -7.643 1.162 408 QB ASP 38 QB ASP 38 -4.609 -8.196 0.521 409 H PHE 39 H PHE 39 -7.113 -5.251 -1.333 410 HA PHE 39 HA PHE 39 -6.182 -3.200 0.468 411 1HB PHE 39 1HB PHE 39 -8.707 -3.476 -1.270 412 2HB PHE 39 2HB PHE 39 -8.115 -1.977 -0.584 413 HD1 PHE 39 HD1 PHE 39 -8.531 -3.315 -3.566 414 HD2 PHE 39 HD2 PHE 39 -5.278 -2.000 -1.181 415 HE1 PHE 39 HE1 PHE 39 -7.179 -2.897 -5.640 416 HE2 PHE 39 HE2 PHE 39 -3.925 -1.584 -3.254 417 HZ PHE 39 HZ PHE 39 -4.893 -2.037 -5.459 418 QB PHE 39 QB PHE 39 -8.411 -2.726 -0.927 419 QD PHE 39 QD PHE 39 -6.905 -2.657 -2.374 420 QE PHE 39 QE PHE 39 -5.552 -2.241 -4.447 421 QR PHE 39 QR PHE 39 -5.961 -2.367 -3.820 422 H TRP 40 H TRP 40 -6.913 -2.859 2.521 423 HA TRP 40 HA TRP 40 -8.588 -4.714 3.761 424 1HB TRP 40 1HB TRP 40 -7.671 -1.954 4.569 425 2HB TRP 40 2HB TRP 40 -8.619 -2.997 5.610 426 HD1 TRP 40 HD1 TRP 40 -6.163 -5.041 3.657 427 HE1 TRP 40 HE1 TRP 40 -4.066 -5.767 5.085 428 HE3 TRP 40 HE3 TRP 40 -7.076 -1.906 7.555 429 HZ2 TRP 40 HZ2 TRP 40 -3.048 -4.966 7.628 430 HZ3 TRP 40 HZ3 TRP 40 -5.482 -1.940 9.471 431 HH2 TRP 40 HH2 TRP 40 -3.524 -3.401 9.548 432 QB TRP 40 QB TRP 40 -8.145 -2.475 5.090 433 H LYS 41 H LYS 41 -9.222 -1.165 3.243 434 HA LYS 41 HA LYS 41 -12.065 -1.769 3.226 435 1HB LYS 41 1HB LYS 41 -10.787 0.142 4.537 436 2HB LYS 41 2HB LYS 41 -10.939 1.003 3.017 437 1HG LYS 41 1HG LYS 41 -13.383 0.707 3.029 438 2HG LYS 41 2HG LYS 41 -13.292 -0.320 4.446 439 1HD LYS 41 1HD LYS 41 -12.452 1.553 5.812 440 2HD LYS 41 2HD LYS 41 -12.360 2.588 4.401 441 1HE LYS 41 1HE LYS 41 -14.944 2.009 4.151 442 2HE LYS 41 2HE LYS 41 -14.823 1.571 5.842 443 1HZ LYS 41 2HZ LYS 41 -13.915 4.158 4.792 444 2HZ LYS 41 3HZ LYS 41 -15.406 3.912 5.413 445 3HZ LYS 41 1HZ LYS 41 -14.087 3.736 6.360 446 QB LYS 41 QB LYS 41 -10.863 0.572 3.777 447 QD LYS 41 QD LYS 41 -12.406 2.070 5.106 448 QG LYS 41 QG LYS 41 -13.338 0.193 3.738 449 QE LYS 41 QE LYS 41 -14.884 1.790 4.996 450 QZ LYS 41 QZ LYS 41 -14.469 3.935 5.522 451 H SER 42 H SER 42 -12.895 -2.419 1.310 452 HA SER 42 HA SER 42 -11.796 -2.319 -1.086 453 1HB SER 42 1HB SER 42 -14.137 -2.291 -2.035 454 2HB SER 42 2HB SER 42 -13.906 -3.442 -0.734 455 HG SER 42 HG SER 42 -15.673 -2.475 0.043 456 QB SER 42 QB SER 42 -14.022 -2.866 -1.385 457 HA PRO 43 HA PRO 43 -11.595 2.093 -1.639 458 1HB PRO 43 1HB PRO 43 -9.491 2.095 -3.383 459 2HB PRO 43 2HB PRO 43 -9.294 2.169 -1.643 460 1HG PRO 43 1HG PRO 43 -8.847 -0.117 -3.465 461 2HG PRO 43 2HG PRO 43 -8.264 0.113 -1.828 462 1HD PRO 43 1HD PRO 43 -10.433 -1.571 -2.657 463 2HD PRO 43 2HD PRO 43 -9.925 -1.251 -1.011 464 QB PRO 43 QB PRO 43 -9.392 2.132 -2.513 465 QG PRO 43 QG PRO 43 -8.555 -0.002 -2.647 466 QD PRO 43 QD PRO 43 -10.179 -1.411 -1.834 467 H THR 44 H THR 44 -12.771 -0.304 -3.440 468 HA THR 44 HA THR 44 -12.849 0.399 -6.016 469 HB THR 44 HB THR 44 -14.872 -0.695 -4.058 470 HG1 THR 44 HG1 THR 44 -14.496 -2.464 -5.619 471 1HG2 THR 44 1HG2 THR 44 -15.516 0.507 -6.710 472 2HG2 THR 44 2HG2 THR 44 -15.999 -1.197 -6.542 473 3HG2 THR 44 3HG2 THR 44 -16.612 0.018 -5.396 474 MG THR 44 QG2 THR 44 -16.043 -0.224 -6.216 475 H THR 45 H THR 45 -14.609 2.099 -3.379 476 HA THR 45 HA THR 45 -15.182 4.215 -5.350 477 HB THR 45 HB THR 45 -17.290 4.543 -4.265 478 HG1 THR 45 HG1 THR 45 -17.399 4.101 -2.078 479 1HG2 THR 45 3HG2 THR 45 -16.889 2.093 -5.332 480 2HG2 THR 45 1HG2 THR 45 -17.080 1.598 -3.634 481 3HG2 THR 45 2HG2 THR 45 -18.389 2.481 -4.456 482 MG THR 45 QG2 THR 45 -17.452 2.057 -4.474 483 HA PRO 46 HA PRO 46 -12.964 6.901 -2.850 484 1HB PRO 46 1HB PRO 46 -14.139 9.306 -3.401 485 2HB PRO 46 2HB PRO 46 -12.975 8.541 -4.465 486 1HG PRO 46 1HG PRO 46 -15.909 8.750 -4.769 487 2HG PRO 46 2HG PRO 46 -14.702 8.382 -5.986 488 1HD PRO 46 1HD PRO 46 -16.463 6.520 -4.698 489 2HD PRO 46 2HD PRO 46 -15.180 6.139 -5.829 490 QB PRO 46 QB PRO 46 -13.557 8.923 -3.933 491 QG PRO 46 QG PRO 46 -15.305 8.566 -5.377 492 QD PRO 46 QD PRO 46 -15.821 6.330 -5.264 493 H GLY 47 H GLY 47 -13.009 8.621 -1.095 494 1HA GLY 47 2HA GLY 47 -15.502 8.562 0.411 495 2HA GLY 47 1HA GLY 47 -14.073 9.524 0.737 496 QA GLY 47 QA GLY 47 -14.787 9.043 0.574 497 H GLU 48 H GLU 48 -13.843 6.036 0.033 498 HA GLU 48 HA GLU 48 -13.527 5.535 2.875 499 1HB GLU 48 1HB GLU 48 -13.846 3.177 2.335 500 2HB GLU 48 2HB GLU 48 -15.128 4.110 1.588 501 1HG GLU 48 1HG GLU 48 -13.231 4.145 -0.418 502 2HG GLU 48 2HG GLU 48 -12.902 2.588 0.315 503 QB GLU 48 QB GLU 48 -14.487 3.644 1.962 504 QG GLU 48 QG GLU 48 -13.066 3.367 -0.052 505 H THR 49 H THR 49 -11.452 5.808 3.586 506 HA THR 49 HA THR 49 -9.217 5.776 1.899 507 HB THR 49 HB THR 49 -8.064 5.591 4.251 508 HG1 THR 49 HG1 THR 49 -9.897 4.575 5.292 509 1HG2 THR 49 1HG2 THR 49 -9.081 7.780 2.971 510 2HG2 THR 49 2HG2 THR 49 -10.142 7.756 4.400 511 3HG2 THR 49 3HG2 THR 49 -8.377 7.869 4.602 512 MG THR 49 QG2 THR 49 -9.200 7.802 3.991 513 H ALA 50 H ALA 50 -7.628 4.277 1.427 514 HA ALA 50 HA ALA 50 -8.452 1.517 1.966 515 1HB ALA 50 1HB ALA 50 -8.122 1.335 -0.252 516 2HB ALA 50 2HB ALA 50 -7.410 2.965 -0.337 517 3HB ALA 50 3HB ALA 50 -6.384 1.565 0.056 518 MB ALA 50 QB ALA 50 -7.306 1.955 -0.178 519 H HIS 51 H HIS 51 -6.837 -0.045 2.642 520 HA HIS 51 HA HIS 51 -4.309 1.050 3.514 521 1HB HIS 51 1HB HIS 51 -5.800 -0.493 5.586 522 2HB HIS 51 2HB HIS 51 -4.547 0.717 5.772 523 HD1 HIS 51 HD1 HIS 51 -8.066 0.284 6.273 524 HD2 HIS 51 HD2 HIS 51 -5.654 3.451 4.951 525 HE1 HIS 51 HE1 HIS 51 -9.447 2.408 6.572 526 HE2 HIS 51 HE2 HIS 51 -7.894 4.325 5.794 527 QB HIS 51 QB HIS 51 -5.174 0.112 5.679 528 H VAL 52 H VAL 52 -3.259 -0.301 2.031 529 HA VAL 52 HA VAL 52 -3.735 -3.173 2.429 530 HB VAL 52 HB VAL 52 -4.189 -2.903 0.229 531 1HG1 VAL 52 1HG1 VAL 52 -2.207 -0.605 0.139 532 2HG1 VAL 52 2HG1 VAL 52 -3.146 -1.195 -1.252 533 3HG1 VAL 52 3HG1 VAL 52 -3.982 -0.490 0.152 534 1HG2 VAL 52 2HG2 VAL 52 -1.158 -3.066 0.247 535 2HG2 VAL 52 3HG2 VAL 52 -2.312 -4.423 0.283 536 3HG2 VAL 52 1HG2 VAL 52 -2.182 -3.402 -1.171 537 MG1 VAL 52 QG1 VAL 52 -3.112 -0.763 -0.320 538 MG2 VAL 52 QG2 VAL 52 -1.884 -3.630 -0.214 539 QG VAL 52 QQG VAL 52 -2.498 -2.197 -0.267 540 H ARG 53 H ARG 53 -1.949 -4.555 2.784 541 HA ARG 53 HA ARG 53 0.265 -3.168 3.939 542 1HB ARG 53 1HB ARG 53 -0.495 -6.121 3.744 543 2HB ARG 53 2HB ARG 53 0.996 -5.588 4.494 544 1HG ARG 53 1HG ARG 53 -0.649 -3.965 5.853 545 2HG ARG 53 2HG ARG 53 -1.850 -5.163 5.414 546 1HD ARG 53 1HD ARG 53 0.801 -5.943 6.704 547 2HD ARG 53 2HD ARG 53 -0.605 -5.520 7.660 548 HE ARG 53 HE ARG 53 -1.354 -7.475 5.688 549 1HH1 ARG 53 2HH1 ARG 53 -1.687 -9.651 6.301 550 2HH1 ARG 53 1HH1 ARG 53 -1.023 -10.243 7.788 551 1HH2 ARG 53 2HH2 ARG 53 0.457 -7.176 8.691 552 2HH2 ARG 53 1HH2 ARG 53 0.204 -8.825 9.156 553 QB ARG 53 QB ARG 53 0.251 -5.855 4.119 554 QG ARG 53 QG ARG 53 -1.250 -4.564 5.634 555 QD ARG 53 QD ARG 53 0.098 -5.731 7.182 556 QH1 ARG 53 QH1 ARG 53 -1.355 -9.947 7.045 557 QH2 ARG 53 QH2 ARG 53 0.330 -8.001 8.923 558 H VAL 54 H VAL 54 1.285 -2.263 2.014 559 HA VAL 54 HA VAL 54 2.121 -4.082 -0.056 560 HB VAL 54 HB VAL 54 1.410 -1.944 -0.751 561 1HG1 VAL 54 2HG1 VAL 54 3.168 -0.917 1.468 562 2HG1 VAL 54 3HG1 VAL 54 2.764 0.126 0.084 563 3HG1 VAL 54 1HG1 VAL 54 1.466 -0.542 1.103 564 1HG2 VAL 54 1HG2 VAL 54 4.378 -2.393 -0.888 565 2HG2 VAL 54 2HG2 VAL 54 3.150 -2.500 -2.172 566 3HG2 VAL 54 3HG2 VAL 54 3.680 -0.909 -1.577 567 MG1 VAL 54 QG1 VAL 54 2.466 -0.445 0.885 568 MG2 VAL 54 QG2 VAL 54 3.736 -1.934 -1.546 569 QG VAL 54 QQG VAL 54 3.101 -1.189 -0.330 570 HA PRO 55 HA PRO 55 5.970 -4.944 1.724 571 1HB PRO 55 1HB PRO 55 7.302 -5.911 -0.458 572 2HB PRO 55 2HB PRO 55 6.181 -6.874 0.485 573 1HG PRO 55 1HG PRO 55 5.791 -5.655 -2.180 574 2HG PRO 55 2HG PRO 55 4.880 -6.944 -1.419 575 1HD PRO 55 1HD PRO 55 4.076 -4.205 -1.694 576 2HD PRO 55 2HD PRO 55 3.220 -5.468 -0.832 577 QB PRO 55 QB PRO 55 6.742 -6.392 0.013 578 QG PRO 55 QG PRO 55 5.336 -6.300 -1.799 579 QD PRO 55 QD PRO 55 3.648 -4.836 -1.263 580 H PHE 56 H PHE 56 7.769 -3.895 2.371 581 HA PHE 56 HA PHE 56 8.180 -1.343 1.541 582 1HB PHE 56 1HB PHE 56 9.175 -2.925 3.462 583 2HB PHE 56 2HB PHE 56 10.452 -3.244 2.304 584 HD1 PHE 56 HD1 PHE 56 8.709 -0.412 3.986 585 HD2 PHE 56 HD2 PHE 56 12.294 -1.833 2.217 586 HE1 PHE 56 HE1 PHE 56 9.899 1.671 4.725 587 HE2 PHE 56 HE2 PHE 56 13.484 0.249 2.956 588 HZ PHE 56 HZ PHE 56 12.273 1.977 4.201 589 QB PHE 56 QB PHE 56 9.814 -3.084 2.883 590 QD PHE 56 QD PHE 56 10.502 -1.123 3.102 591 QE PHE 56 QE PHE 56 11.692 0.960 3.840 592 QR PHE 56 QR PHE 56 11.332 0.330 3.617 593 H VAL 57 H VAL 57 9.556 -4.376 0.179 594 HA VAL 57 HA VAL 57 11.409 -3.090 -1.506 595 HB VAL 57 HB VAL 57 11.785 -5.336 -0.974 596 1HG1 VAL 57 3HG1 VAL 57 8.887 -5.722 -1.661 597 2HG1 VAL 57 1HG1 VAL 57 10.009 -7.097 -1.794 598 3HG1 VAL 57 2HG1 VAL 57 9.802 -6.265 -0.235 599 1HG2 VAL 57 3HG2 VAL 57 11.786 -4.520 -3.562 600 2HG2 VAL 57 1HG2 VAL 57 12.370 -6.111 -3.020 601 3HG2 VAL 57 2HG2 VAL 57 10.724 -5.943 -3.675 602 MG1 VAL 57 QG1 VAL 57 9.566 -6.361 -1.230 603 MG2 VAL 57 QG2 VAL 57 11.627 -5.525 -3.419 604 QG VAL 57 QQG VAL 57 10.596 -5.943 -2.325 605 H ASN 58 H ASN 58 7.943 -3.437 -1.570 606 HA ASN 58 HA ASN 58 7.989 -2.625 -4.370 607 1HB ASN 58 1HB ASN 58 6.783 -4.834 -3.679 608 2HB ASN 58 2HB ASN 58 5.596 -3.815 -2.890 609 1HD2 ASN 58 1HD2 ASN 58 7.163 -4.571 -5.950 610 2HD2 ASN 58 2HD2 ASN 58 5.902 -4.026 -7.004 611 QB ASN 58 QB ASN 58 6.189 -4.325 -3.284 612 QD ASN 58 QD2 ASN 58 6.532 -4.298 -6.477 613 H VAL 59 H VAL 59 8.043 -1.264 -1.467 614 HA VAL 59 HA VAL 59 5.592 0.202 -1.399 615 HB VAL 59 HB VAL 59 8.120 0.033 0.154 616 1HG1 VAL 59 2HG1 VAL 59 7.944 2.452 -0.277 617 2HG1 VAL 59 3HG1 VAL 59 6.275 2.440 0.342 618 3HG1 VAL 59 1HG1 VAL 59 7.631 2.064 1.432 619 1HG2 VAL 59 1HG2 VAL 59 5.178 0.158 0.902 620 2HG2 VAL 59 2HG2 VAL 59 6.187 -1.304 0.797 621 3HG2 VAL 59 3HG2 VAL 59 6.522 -0.079 2.043 622 MG1 VAL 59 QG1 VAL 59 7.283 2.319 0.499 623 MG2 VAL 59 QG2 VAL 59 5.962 -0.408 1.247 624 QG VAL 59 QQG VAL 59 6.623 0.955 0.873 625 H GLN 60 H GLN 60 8.807 0.553 -2.850 626 HA GLN 60 HA GLN 60 8.566 3.329 -3.268 627 1HB GLN 60 1HB GLN 60 10.696 1.809 -3.236 628 2HB GLN 60 2HB GLN 60 10.313 1.472 -4.913 629 1HG GLN 60 1HG GLN 60 11.529 3.357 -5.357 630 2HG GLN 60 2HG GLN 60 10.075 4.217 -4.888 631 1HE2 GLN 60 1HE2 GLN 60 10.722 5.930 -3.812 632 2HE2 GLN 60 2HE2 GLN 60 11.794 5.961 -2.453 633 QB GLN 60 QB GLN 60 10.505 1.640 -4.074 634 QG GLN 60 QG GLN 60 10.802 3.787 -5.123 635 QE GLN 60 QE2 GLN 60 11.258 5.945 -3.133 636 H ALA 61 H ALA 61 8.531 0.540 -5.615 637 HA ALA 61 HA ALA 61 7.716 1.901 -7.822 638 1HB ALA 61 3HB ALA 61 7.260 -0.202 -8.721 639 2HB ALA 61 1HB ALA 61 8.332 -0.621 -7.364 640 3HB ALA 61 2HB ALA 61 6.570 -0.818 -7.202 641 MB ALA 61 QB ALA 61 7.388 -0.547 -7.762 642 H VAL 62 H VAL 62 5.785 0.825 -5.006 643 HA VAL 62 HA VAL 62 3.294 1.463 -6.247 644 HB VAL 62 HB VAL 62 4.134 0.855 -3.410 645 1HG1 VAL 62 2HG1 VAL 62 1.399 1.439 -4.564 646 2HG1 VAL 62 3HG1 VAL 62 1.619 0.467 -3.089 647 3HG1 VAL 62 1HG1 VAL 62 2.182 2.155 -3.135 648 1HG2 VAL 62 1HG2 VAL 62 4.200 -0.903 -5.335 649 2HG2 VAL 62 2HG2 VAL 62 3.444 -1.334 -3.783 650 3HG2 VAL 62 3HG2 VAL 62 2.428 -0.889 -5.176 651 MG1 VAL 62 QG1 VAL 62 1.734 1.353 -3.596 652 MG2 VAL 62 QG2 VAL 62 3.357 -1.042 -4.765 653 QG VAL 62 QQG VAL 62 2.545 0.156 -4.180 654 H LYS 63 H LYS 63 5.619 3.072 -4.022 655 HA LYS 63 HA LYS 63 3.991 5.252 -3.396 656 1HB LYS 63 1HB LYS 63 5.762 5.108 -1.970 657 2HB LYS 63 2HB LYS 63 6.875 4.561 -3.208 658 1HG LYS 63 1HG LYS 63 7.195 6.781 -4.067 659 2HG LYS 63 2HG LYS 63 5.780 7.398 -3.240 660 1HD LYS 63 1HD LYS 63 8.075 6.232 -1.635 661 2HD LYS 63 2HD LYS 63 8.183 7.871 -2.245 662 1HE LYS 63 1HE LYS 63 5.700 8.022 -1.168 663 2HE LYS 63 2HE LYS 63 6.336 6.739 -0.157 664 1HZ LYS 63 3HZ LYS 63 7.892 9.170 -0.590 665 2HZ LYS 63 1HZ LYS 63 6.710 9.137 0.537 666 3HZ LYS 63 2HZ LYS 63 7.976 8.111 0.650 667 QB LYS 63 QB LYS 63 6.319 4.834 -2.589 668 QD LYS 63 QD LYS 63 8.129 7.051 -1.940 669 QG LYS 63 QG LYS 63 6.488 7.089 -3.654 670 QE LYS 63 QE LYS 63 6.018 7.380 -0.662 671 QZ LYS 63 QZ LYS 63 7.526 8.806 0.199 672 H VAL 64 H VAL 64 5.956 4.441 -6.242 673 HA VAL 64 HA VAL 64 5.876 7.104 -7.285 674 HB VAL 64 HB VAL 64 6.781 4.408 -8.237 675 1HG1 VAL 64 1HG1 VAL 64 5.910 6.642 -9.931 676 2HG1 VAL 64 2HG1 VAL 64 7.586 6.129 -10.242 677 3HG1 VAL 64 3HG1 VAL 64 6.259 4.949 -10.354 678 1HG2 VAL 64 1HG2 VAL 64 8.190 5.864 -6.738 679 2HG2 VAL 64 2HG2 VAL 64 8.952 5.421 -8.284 680 3HG2 VAL 64 3HG2 VAL 64 8.265 7.049 -8.064 681 MG1 VAL 64 QG1 VAL 64 6.585 5.907 -10.176 682 MG2 VAL 64 QG2 VAL 64 8.469 6.111 -7.695 683 QG VAL 64 QQG VAL 64 7.527 6.009 -8.935 684 H PHE 65 H PHE 65 3.988 4.073 -7.597 685 HA PHE 65 HA PHE 65 2.501 4.803 -9.827 686 1HB PHE 65 1HB PHE 65 2.742 2.563 -8.476 687 2HB PHE 65 2HB PHE 65 1.573 3.233 -7.355 688 HD1 PHE 65 HD1 PHE 65 1.889 2.858 -11.066 689 HD2 PHE 65 HD2 PHE 65 -0.581 2.496 -7.634 690 HE1 PHE 65 HE1 PHE 65 0.018 2.001 -12.503 691 HE2 PHE 65 HE2 PHE 65 -2.452 1.639 -9.070 692 HZ PHE 65 HZ PHE 65 -2.131 1.402 -11.488 693 QB PHE 65 QB PHE 65 2.158 2.898 -7.915 694 QD PHE 65 QD PHE 65 0.654 2.677 -9.350 695 QE PHE 65 QE PHE 65 -1.217 1.820 -10.787 696 QR PHE 65 QR PHE 65 -0.652 2.079 -10.352 697 H LEU 66 H LEU 66 1.984 5.409 -6.305 698 HA LEU 66 HA LEU 66 -0.578 6.487 -6.562 699 1HB LEU 66 1HB LEU 66 1.593 6.895 -4.504 700 2HB LEU 66 2HB LEU 66 -0.028 7.539 -4.346 701 HG LEU 66 HG LEU 66 0.627 4.592 -4.613 702 1HD1 LEU 66 2HD1 LEU 66 1.284 6.055 -2.457 703 2HD1 LEU 66 3HD1 LEU 66 -0.412 5.690 -2.058 704 3HD1 LEU 66 1HD1 LEU 66 0.736 4.364 -2.365 705 1HD2 LEU 66 1HD2 LEU 66 -1.969 6.003 -3.940 706 2HD2 LEU 66 2HD2 LEU 66 -1.594 5.124 -5.441 707 3HD2 LEU 66 3HD2 LEU 66 -1.700 4.244 -3.897 708 MD1 LEU 66 QD1 LEU 66 0.536 5.370 -2.293 709 MD2 LEU 66 QD2 LEU 66 -1.755 5.124 -4.426 710 QB LEU 66 QB LEU 66 0.783 7.217 -4.425 711 QD LEU 66 QQD LEU 66 -0.609 5.247 -3.360 712 H GLU 67 H GLU 67 2.593 8.222 -6.140 713 HA GLU 67 HA GLU 67 1.579 10.716 -6.589 714 1HB GLU 67 1HB GLU 67 4.280 9.437 -6.757 715 2HB GLU 67 2HB GLU 67 4.116 10.991 -7.549 716 1HG GLU 67 1HG GLU 67 2.807 11.075 -4.944 717 2HG GLU 67 2HG GLU 67 4.449 10.491 -4.760 718 QB GLU 67 QB GLU 67 4.198 10.214 -7.153 719 QG GLU 67 QG GLU 67 3.628 10.783 -4.852 720 H SER 68 H SER 68 2.405 8.129 -8.876 721 HA SER 68 HA SER 68 2.455 9.831 -11.128 722 1HB SER 68 1HB SER 68 2.649 7.800 -12.419 723 2HB SER 68 2HB SER 68 3.602 7.585 -10.964 724 HG SER 68 HG SER 68 1.310 6.224 -11.819 725 QB SER 68 QB SER 68 3.126 7.693 -11.691 726 H GLN 69 H GLN 69 0.021 7.800 -9.443 727 HA GLN 69 HA GLN 69 -1.915 8.330 -11.493 728 1HB GLN 69 1HB GLN 69 -3.212 6.679 -10.488 729 2HB GLN 69 2HB GLN 69 -1.608 6.157 -10.014 730 1HG GLN 69 1HG GLN 69 -2.145 7.856 -7.945 731 2HG GLN 69 2HG GLN 69 -3.782 7.375 -8.345 732 1HE2 GLN 69 1HE2 GLN 69 -4.289 6.048 -6.740 733 2HE2 GLN 69 2HE2 GLN 69 -3.460 4.586 -6.319 734 QB GLN 69 QB GLN 69 -2.410 6.418 -10.251 735 QG GLN 69 QG GLN 69 -2.963 7.616 -8.145 736 QE GLN 69 QE2 GLN 69 -3.875 5.317 -6.529 737 H GLY 70 H GLY 70 -0.726 10.611 -9.996 738 1HA GLY 70 2HA GLY 70 -2.716 12.355 -9.751 739 2HA GLY 70 1HA GLY 70 -1.319 12.381 -8.693 740 QA GLY 70 QA GLY 70 -2.017 12.368 -9.222 741 H ILE 71 H ILE 71 -1.572 10.306 -6.963 742 HA ILE 71 HA ILE 71 -4.215 10.759 -5.762 743 HB ILE 71 HB ILE 71 -3.701 8.449 -6.734 744 1HG1 ILE 71 1HG1 ILE 71 -4.396 7.895 -3.960 745 2HG1 ILE 71 2HG1 ILE 71 -5.218 9.324 -4.554 746 1HG2 ILE 71 3HG2 ILE 71 -1.349 8.516 -5.625 747 2HG2 ILE 71 1HG2 ILE 71 -2.214 7.967 -4.169 748 3HG2 ILE 71 2HG2 ILE 71 -2.265 6.990 -5.656 749 1HD1 ILE 71 3HD1 ILE 71 -5.465 7.600 -6.716 750 2HD1 ILE 71 1HD1 ILE 71 -5.575 6.491 -5.328 751 3HD1 ILE 71 2HD1 ILE 71 -6.707 7.857 -5.466 752 MG ILE 71 QG2 ILE 71 -1.943 7.824 -5.150 753 MD ILE 71 QD1 ILE 71 -5.915 7.316 -5.837 754 QG ILE 71 QG1 ILE 71 -4.807 8.609 -4.257 755 H ALA 72 H ALA 72 -4.001 10.082 -3.247 756 HA ALA 72 HA ALA 72 -1.472 11.141 -2.232 757 1HB ALA 72 1HB ALA 72 -3.412 12.894 -2.501 758 2HB ALA 72 2HB ALA 72 -4.094 12.081 -1.072 759 3HB ALA 72 3HB ALA 72 -2.485 12.836 -0.982 760 MB ALA 72 QB ALA 72 -3.330 12.603 -1.518 761 H TYR 73 H TYR 73 -0.681 9.815 -0.675 762 HA TYR 73 HA TYR 73 -2.639 8.180 0.791 763 1HB TYR 73 1HB TYR 73 -0.550 6.533 0.723 764 2HB TYR 73 2HB TYR 73 -1.533 6.665 -0.722 765 HD1 TYR 73 HD1 TYR 73 1.761 6.817 0.562 766 HD2 TYR 73 HD2 TYR 73 -0.752 8.485 -2.472 767 HE1 TYR 73 HE1 TYR 73 3.813 7.482 -0.782 768 HE2 TYR 73 HE2 TYR 73 1.309 9.144 -3.806 769 HH TYR 73 HH TYR 73 3.698 8.280 -3.970 770 QB TYR 73 QB TYR 73 -1.042 6.599 0.001 771 QD TYR 73 QD TYR 73 0.504 7.651 -0.955 772 QE TYR 73 QE TYR 73 2.561 8.313 -2.294 773 QR TYR 73 QR TYR 73 1.533 7.982 -1.625 774 H SER 74 H SER 74 -0.918 6.928 2.568 775 HA SER 74 HA SER 74 0.836 8.861 3.691 776 1HB SER 74 1HB SER 74 -1.617 9.440 4.437 777 2HB SER 74 2HB SER 74 -1.478 8.028 5.465 778 HG SER 74 HG SER 74 -0.634 9.483 6.824 779 QB SER 74 QB SER 74 -1.548 8.734 4.951 780 H ILE 75 H ILE 75 1.809 7.932 5.829 781 HA ILE 75 HA ILE 75 2.033 5.040 5.461 782 HB ILE 75 HB ILE 75 3.826 7.027 6.860 783 1HG1 ILE 75 1HG1 ILE 75 5.340 6.079 4.881 784 2HG1 ILE 75 2HG1 ILE 75 3.782 5.847 4.113 785 1HG2 ILE 75 2HG2 ILE 75 3.710 4.093 6.920 786 2HG2 ILE 75 3HG2 ILE 75 5.304 4.752 6.483 787 3HG2 ILE 75 1HG2 ILE 75 4.528 5.240 8.008 788 1HD1 ILE 75 1HD1 ILE 75 3.745 8.444 5.350 789 2HD1 ILE 75 2HD1 ILE 75 5.262 8.294 4.432 790 3HD1 ILE 75 3HD1 ILE 75 3.700 8.051 3.615 791 MG ILE 75 QG2 ILE 75 4.514 4.695 7.137 792 MD ILE 75 QD1 ILE 75 4.236 8.263 4.466 793 QG ILE 75 QG1 ILE 75 4.561 5.963 4.497 794 H MET 76 H MET 76 0.884 3.750 6.785 795 HA MET 76 HA MET 76 -0.258 4.914 9.136 796 1HB MET 76 1HB MET 76 -1.308 3.206 7.403 797 2HB MET 76 2HB MET 76 -0.415 1.985 8.287 798 1HG MET 76 1HG MET 76 -1.825 2.080 10.100 799 2HG MET 76 2HG MET 76 -1.936 3.827 10.050 800 1HE MET 76 2HE MET 76 -4.249 3.183 10.901 801 2HE MET 76 3HE MET 76 -5.636 2.834 9.842 802 3HE MET 76 1HE MET 76 -4.573 1.512 10.381 803 QB MET 76 QB MET 76 -0.862 2.596 7.845 804 QG MET 76 QG MET 76 -1.880 2.954 10.075 805 ME MET 76 QE MET 76 -4.820 2.510 10.374 806 H ILE 77 H ILE 77 1.818 2.021 8.379 807 HA ILE 77 HA ILE 77 3.134 2.433 10.945 808 HB ILE 77 HB ILE 77 1.298 0.853 11.347 809 1HG1 ILE 77 1HG1 ILE 77 2.620 -0.838 12.480 810 2HG1 ILE 77 2HG1 ILE 77 4.016 -0.480 11.482 811 1HG2 ILE 77 1HG2 ILE 77 2.185 -0.266 8.850 812 2HG2 ILE 77 2HG2 ILE 77 2.242 -1.506 10.127 813 3HG2 ILE 77 3HG2 ILE 77 0.727 -0.631 9.803 814 1HD1 ILE 77 1HD1 ILE 77 2.727 1.755 13.062 815 2HD1 ILE 77 2HD1 ILE 77 3.813 0.606 13.881 816 3HD1 ILE 77 3HD1 ILE 77 4.416 1.589 12.524 817 MG ILE 77 QG2 ILE 77 1.718 -0.801 9.593 818 MD ILE 77 QD1 ILE 77 3.652 1.317 13.156 819 QG ILE 77 QG1 ILE 77 3.318 -0.659 11.981 820 H GLU 78 H GLU 78 5.326 2.041 10.861 821 HA GLU 78 HA GLU 78 6.296 1.371 8.223 822 1HB GLU 78 1HB GLU 78 8.402 2.349 8.933 823 2HB GLU 78 2HB GLU 78 7.109 3.437 9.398 824 1HG GLU 78 1HG GLU 78 7.545 3.189 11.625 825 2HG GLU 78 2HG GLU 78 7.671 1.445 11.497 826 QB GLU 78 QB GLU 78 7.756 2.893 9.165 827 QG GLU 78 QG GLU 78 7.608 2.317 11.561 828 H ASP 79 H ASP 79 8.974 0.686 9.750 829 HA ASP 79 HA ASP 79 8.377 -2.116 9.820 830 1HB ASP 79 1HB ASP 79 10.834 -0.390 9.739 831 2HB ASP 79 2HB ASP 79 11.020 -1.967 10.480 832 QB ASP 79 QB ASP 79 10.927 -1.178 10.109 833 H VAL 80 H VAL 80 7.004 -1.853 11.860 834 HA VAL 80 HA VAL 80 7.716 -0.811 14.222 835 HB VAL 80 HB VAL 80 5.645 -2.126 13.501 836 1HG1 VAL 80 1HG1 VAL 80 7.112 -4.232 13.094 837 2HG1 VAL 80 2HG1 VAL 80 6.976 -4.470 14.853 838 3HG1 VAL 80 3HG1 VAL 80 5.510 -4.430 13.844 839 1HG2 VAL 80 3HG2 VAL 80 6.885 -2.067 16.231 840 2HG2 VAL 80 1HG2 VAL 80 5.447 -1.220 15.609 841 3HG2 VAL 80 2HG2 VAL 80 5.359 -2.955 15.997 842 MG1 VAL 80 QG1 VAL 80 6.532 -4.377 13.931 843 MG2 VAL 80 QG2 VAL 80 5.897 -2.081 15.946 844 QG VAL 80 QQG VAL 80 6.215 -3.229 14.938 845 H GLN 81 H GLN 81 9.715 -0.802 15.136 846 HA GLN 81 HA GLN 81 11.532 -2.873 14.763 847 1HB GLN 81 1HB GLN 81 11.987 -0.422 15.387 848 2HB GLN 81 2HB GLN 81 11.568 -0.847 17.035 849 1HG GLN 81 1HG GLN 81 13.334 -2.816 16.650 850 2HG GLN 81 2HG GLN 81 13.930 -1.762 15.384 851 1HE2 GLN 81 1HE2 GLN 81 14.341 -2.615 18.485 852 2HE2 GLN 81 2HE2 GLN 81 15.022 -1.176 19.166 853 QB GLN 81 QB GLN 81 11.777 -0.634 16.211 854 QG GLN 81 QG GLN 81 13.632 -2.289 16.017 855 QE GLN 81 QE2 GLN 81 14.681 -1.896 18.826 No H/Q in entry = 855 Start of MODEL 15 1 H MET 1 H MET 1 31.913 -2.365 18.351 2 HA MET 1 HA MET 1 29.821 -1.979 17.843 3 1HB MET 1 1HB MET 1 31.391 -0.637 15.605 4 2HB MET 1 2HB MET 1 29.643 -0.520 15.607 5 1HG MET 1 1HG MET 1 30.330 0.083 18.266 6 2HG MET 1 2HG MET 1 31.608 0.842 17.340 7 1HE MET 1 3HE MET 1 28.844 1.561 19.108 8 2HE MET 1 1HE MET 1 29.876 2.986 18.837 9 3HE MET 1 2HE MET 1 28.160 3.029 18.368 10 QB MET 1 QB MET 1 30.517 -0.578 15.606 11 QG MET 1 QG MET 1 30.969 0.462 17.803 12 ME MET 1 QE MET 1 28.960 2.525 18.771 13 H ARG 2 H ARG 2 28.162 -3.276 17.172 14 HA ARG 2 HA ARG 2 28.740 -5.141 15.096 15 1HB ARG 2 1HB ARG 2 27.425 -5.544 17.335 16 2HB ARG 2 2HB ARG 2 26.060 -4.816 16.510 17 1HG ARG 2 1HG ARG 2 25.639 -6.741 15.388 18 2HG ARG 2 2HG ARG 2 27.269 -6.774 14.744 19 1HD ARG 2 1HD ARG 2 27.962 -7.673 17.117 20 2HD ARG 2 2HD ARG 2 26.253 -7.995 17.337 21 HE ARG 2 HE ARG 2 27.078 -9.047 14.796 22 1HH1 ARG 2 2HH1 ARG 2 27.405 -11.293 14.529 23 2HH1 ARG 2 1HH1 ARG 2 27.665 -12.300 15.915 24 1HH2 ARG 2 2HH2 ARG 2 27.433 -9.664 18.241 25 2HH2 ARG 2 1HH2 ARG 2 27.681 -11.368 18.040 26 QB ARG 2 QB ARG 2 26.742 -5.180 16.922 27 QG ARG 2 QG ARG 2 26.454 -6.757 15.066 28 QD ARG 2 QD ARG 2 27.107 -7.834 17.227 29 QH1 ARG 2 QH1 ARG 2 27.535 -11.796 15.222 30 QH2 ARG 2 QH2 ARG 2 27.557 -10.516 18.141 31 H SER 3 H SER 3 28.690 -4.126 13.059 32 HA SER 3 HA SER 3 27.206 -2.045 12.286 33 1HB SER 3 1HB SER 3 27.506 -2.827 9.983 34 2HB SER 3 2HB SER 3 28.953 -3.163 10.911 35 HG SER 3 HG SER 3 27.914 -4.924 9.460 36 QB SER 3 QB SER 3 28.229 -2.995 10.447 37 H LEU 4 H LEU 4 25.042 -1.611 11.991 38 HA LEU 4 HA LEU 4 23.050 -3.238 12.807 39 1HB LEU 4 1HB LEU 4 22.907 -0.824 12.301 40 2HB LEU 4 2HB LEU 4 22.892 -1.195 10.587 41 HG LEU 4 HG LEU 4 20.817 -2.563 12.206 42 1HD1 LEU 4 1HD1 LEU 4 21.153 0.361 12.264 43 2HD1 LEU 4 2HD1 LEU 4 19.535 -0.193 11.766 44 3HD1 LEU 4 3HD1 LEU 4 20.215 -0.716 13.326 45 1HD2 LEU 4 3HD2 LEU 4 21.111 -2.660 9.684 46 2HD2 LEU 4 1HD2 LEU 4 19.481 -2.272 10.284 47 3HD2 LEU 4 2HD2 LEU 4 20.527 -0.979 9.650 48 MD1 LEU 4 QD1 LEU 4 20.301 -0.183 12.452 49 MD2 LEU 4 QD2 LEU 4 20.373 -1.971 9.873 50 QB LEU 4 QB LEU 4 22.900 -1.009 11.444 51 QD LEU 4 QQD LEU 4 20.337 -1.077 11.162 52 H GLU 5 H GLU 5 21.273 -4.335 11.529 53 HA GLU 5 HA GLU 5 22.505 -5.740 9.288 54 1HB GLU 5 1HB GLU 5 21.997 -7.009 11.518 55 2HB GLU 5 2HB GLU 5 20.316 -6.910 11.033 56 1HG GLU 5 1HG GLU 5 20.567 -8.472 9.372 57 2HG GLU 5 2HG GLU 5 22.108 -7.820 8.852 58 QB GLU 5 QB GLU 5 21.157 -6.959 11.276 59 QG GLU 5 QG GLU 5 21.337 -8.146 9.112 60 H THR 6 H THR 6 20.933 -6.545 7.605 61 HA THR 6 HA THR 6 18.788 -4.567 7.283 62 HB THR 6 HB THR 6 18.999 -5.348 4.849 63 HG1 THR 6 HG1 THR 6 19.974 -7.421 5.370 64 1HG2 THR 6 3HG2 THR 6 20.352 -3.366 5.741 65 2HG2 THR 6 1HG2 THR 6 21.673 -4.509 6.079 66 3HG2 THR 6 2HG2 THR 6 21.135 -4.240 4.404 67 MG THR 6 QG2 THR 6 21.053 -4.038 5.408 68 H PHE 7 H PHE 7 16.805 -5.391 6.065 69 HA PHE 7 HA PHE 7 16.132 -8.097 6.194 70 1HB PHE 7 1HB PHE 7 14.325 -7.494 8.116 71 2HB PHE 7 2HB PHE 7 15.929 -8.048 8.553 72 HD1 PHE 7 HD1 PHE 7 13.777 -5.075 8.246 73 HD2 PHE 7 HD2 PHE 7 17.482 -6.597 9.643 74 HE1 PHE 7 HE1 PHE 7 14.149 -2.967 9.556 75 HE2 PHE 7 HE2 PHE 7 17.855 -4.490 10.954 76 HZ PHE 7 HZ PHE 7 16.184 -2.699 10.895 77 QB PHE 7 QB PHE 7 15.127 -7.771 8.335 78 QD PHE 7 QD PHE 7 15.630 -5.836 8.945 79 QE PHE 7 QE PHE 7 16.002 -3.728 10.255 80 QR PHE 7 QR PHE 7 15.889 -4.366 9.859 81 H VAL 8 H VAL 8 13.910 -8.486 5.478 82 HA VAL 8 HA VAL 8 12.904 -6.188 4.015 83 HB VAL 8 HB VAL 8 13.365 -8.579 3.121 84 1HG1 VAL 8 3HG1 VAL 8 11.519 -9.256 5.086 85 2HG1 VAL 8 1HG1 VAL 8 10.573 -9.312 3.579 86 3HG1 VAL 8 2HG1 VAL 8 12.053 -10.287 3.737 87 1HG2 VAL 8 2HG2 VAL 8 11.687 -6.481 2.328 88 2HG2 VAL 8 3HG2 VAL 8 12.280 -7.824 1.320 89 3HG2 VAL 8 1HG2 VAL 8 10.702 -7.951 2.136 90 MG1 VAL 8 QG1 VAL 8 11.382 -9.618 4.134 91 MG2 VAL 8 QG2 VAL 8 11.556 -7.419 1.928 92 QG VAL 8 QQG VAL 8 11.469 -8.519 3.031 93 H GLY 9 H GLY 9 10.157 -7.456 3.939 94 1HA GLY 9 2HA GLY 9 9.270 -6.498 6.594 95 2HA GLY 9 1HA GLY 9 8.612 -7.944 5.854 96 QA GLY 9 QA GLY 9 8.941 -7.221 6.224 97 H ASP 10 H ASP 10 6.476 -7.257 5.546 98 HA ASP 10 HA ASP 10 6.083 -5.607 3.292 99 1HB ASP 10 1HB ASP 10 4.380 -7.176 5.205 100 2HB ASP 10 2HB ASP 10 3.578 -5.881 4.339 101 QB ASP 10 QB ASP 10 3.979 -6.529 4.772 102 H GLN 11 H GLN 11 3.900 -3.998 3.762 103 HA GLN 11 HA GLN 11 4.007 -2.646 6.217 104 1HB GLN 11 1HB GLN 11 6.150 -1.845 5.051 105 2HB GLN 11 2HB GLN 11 5.122 -1.060 3.869 106 1HG GLN 11 1HG GLN 11 3.932 -0.009 5.997 107 2HG GLN 11 2HG GLN 11 5.415 -0.448 6.823 108 1HE2 GLN 11 1HE2 GLN 11 3.862 1.699 4.670 109 2HE2 GLN 11 2HE2 GLN 11 5.193 2.747 4.307 110 QB GLN 11 QB GLN 11 5.636 -1.453 4.460 111 QG GLN 11 QG GLN 11 4.673 -0.229 6.410 112 QE GLN 11 QE2 GLN 11 4.527 2.223 4.489 113 H VAL 12 H VAL 12 2.193 -1.254 6.453 114 HA VAL 12 HA VAL 12 0.332 -1.416 4.209 115 HB VAL 12 HB VAL 12 -0.433 -0.391 6.899 116 1HG1 VAL 12 2HG1 VAL 12 -1.718 -2.113 4.765 117 2HG1 VAL 12 3HG1 VAL 12 -2.439 -1.868 6.374 118 3HG1 VAL 12 1HG1 VAL 12 -2.180 -0.477 5.293 119 1HG2 VAL 12 1HG2 VAL 12 0.281 -3.281 6.325 120 2HG2 VAL 12 2HG2 VAL 12 0.944 -2.222 7.592 121 3HG2 VAL 12 3HG2 VAL 12 -0.748 -2.768 7.683 122 MG1 VAL 12 QG1 VAL 12 -2.112 -1.486 5.477 123 MG2 VAL 12 QG2 VAL 12 0.159 -2.757 7.200 124 QG VAL 12 QQG VAL 12 -0.976 -2.122 6.339 125 H LEU 13 H LEU 13 -1.173 0.604 4.025 126 HA LEU 13 HA LEU 13 0.041 3.087 4.753 127 1HB LEU 13 1HB LEU 13 0.728 3.878 2.702 128 2HB LEU 13 2HB LEU 13 1.348 2.239 2.740 129 HG LEU 13 HG LEU 13 -1.188 2.046 1.527 130 1HD1 LEU 13 3HD1 LEU 13 -1.178 4.481 1.224 131 2HD1 LEU 13 1HD1 LEU 13 0.377 4.366 0.363 132 3HD1 LEU 13 2HD1 LEU 13 -1.082 3.618 -0.331 133 1HD2 LEU 13 2HD2 LEU 13 1.265 1.015 1.141 134 2HD2 LEU 13 3HD2 LEU 13 -0.044 0.917 -0.061 135 3HD2 LEU 13 1HD2 LEU 13 1.211 2.170 -0.213 136 MD1 LEU 13 QD1 LEU 13 -0.627 4.155 0.419 137 MD2 LEU 13 QD2 LEU 13 0.811 1.367 0.289 138 QB LEU 13 QB LEU 13 1.038 3.059 2.721 139 QD LEU 13 QQD LEU 13 0.092 2.761 0.354 140 H GLU 14 H GLU 14 -1.430 4.845 4.521 141 HA GLU 14 HA GLU 14 -4.130 3.894 4.067 142 1HB GLU 14 1HB GLU 14 -4.626 6.256 5.138 143 2HB GLU 14 2HB GLU 14 -4.106 4.927 6.156 144 1HG GLU 14 1HG GLU 14 -1.958 5.807 6.464 145 2HG GLU 14 2HG GLU 14 -1.961 6.649 4.928 146 QB GLU 14 QB GLU 14 -4.366 5.591 5.647 147 QG GLU 14 QG GLU 14 -1.960 6.228 5.696 148 H ILE 15 H ILE 15 -5.234 4.441 2.232 149 HA ILE 15 HA ILE 15 -4.151 6.694 0.685 150 HB ILE 15 HB ILE 15 -5.501 4.180 -0.304 151 1HG1 ILE 15 1HG1 ILE 15 -2.650 4.953 -0.864 152 2HG1 ILE 15 2HG1 ILE 15 -3.053 4.132 0.630 153 1HG2 ILE 15 3HG2 ILE 15 -4.702 6.733 -1.632 154 2HG2 ILE 15 1HG2 ILE 15 -4.494 5.207 -2.523 155 3HG2 ILE 15 2HG2 ILE 15 -6.103 5.675 -1.923 156 1HD1 ILE 15 3HD1 ILE 15 -4.463 2.671 -1.311 157 2HD1 ILE 15 1HD1 ILE 15 -2.913 3.059 -2.099 158 3HD1 ILE 15 2HD1 ILE 15 -2.929 2.194 -0.544 159 MG ILE 15 QG2 ILE 15 -5.100 5.872 -2.026 160 MD ILE 15 QD1 ILE 15 -3.435 2.641 -1.318 161 QG ILE 15 QG1 ILE 15 -2.852 4.543 -0.117 162 H VAL 16 H VAL 16 -5.684 8.084 -0.385 163 HA VAL 16 HA VAL 16 -8.457 7.731 0.441 164 HB VAL 16 HB VAL 16 -6.919 10.297 0.876 165 1HG1 VAL 16 3HG1 VAL 16 -9.574 10.044 0.456 166 2HG1 VAL 16 1HG1 VAL 16 -9.520 9.765 2.214 167 3HG1 VAL 16 2HG1 VAL 16 -8.863 11.272 1.531 168 1HG2 VAL 16 3HG2 VAL 16 -7.492 7.989 2.708 169 2HG2 VAL 16 1HG2 VAL 16 -6.035 9.002 2.570 170 3HG2 VAL 16 2HG2 VAL 16 -7.493 9.642 3.364 171 MG1 VAL 16 QG1 VAL 16 -9.319 10.360 1.400 172 MG2 VAL 16 QG2 VAL 16 -7.007 8.878 2.881 173 QG VAL 16 QQG VAL 16 -8.163 9.619 2.140 174 HA PRO 17 HA PRO 17 -8.249 8.894 -3.847 175 1HB PRO 17 1HB PRO 17 -10.387 7.404 -4.672 176 2HB PRO 17 2HB PRO 17 -8.743 6.799 -4.666 177 1HG PRO 17 1HG PRO 17 -10.952 6.177 -2.804 178 2HG PRO 17 2HG PRO 17 -9.467 5.290 -3.079 179 1HD PRO 17 1HD PRO 17 -10.058 7.001 -0.853 180 2HD PRO 17 2HD PRO 17 -8.533 6.207 -1.188 181 QB PRO 17 QB PRO 17 -9.565 7.101 -4.669 182 QG PRO 17 QG PRO 17 -10.210 5.733 -2.941 183 QD PRO 17 QD PRO 17 -9.295 6.604 -1.021 184 H SER 18 H SER 18 -10.219 9.532 -5.459 185 HA SER 18 HA SER 18 -12.307 10.782 -4.028 186 1HB SER 18 1HB SER 18 -10.198 12.320 -3.764 187 2HB SER 18 2HB SER 18 -10.454 12.718 -5.451 188 HG SER 18 HG SER 18 -11.519 14.148 -3.801 189 QB SER 18 QB SER 18 -10.326 12.519 -4.607 190 H ASN 19 H ASN 19 -10.294 10.586 -7.015 191 HA ASN 19 HA ASN 19 -12.670 11.099 -8.583 192 1HB ASN 19 1HB ASN 19 -9.688 11.007 -9.160 193 2HB ASN 19 2HB ASN 19 -10.815 10.830 -10.490 194 1HD2 ASN 19 1HD2 ASN 19 -9.306 12.943 -8.283 195 2HD2 ASN 19 2HD2 ASN 19 -10.056 14.432 -8.755 196 QB ASN 19 QB ASN 19 -10.251 10.919 -9.825 197 QD ASN 19 QD2 ASN 19 -9.681 13.687 -8.519 198 H GLU 20 H GLU 20 -12.539 9.600 -10.793 199 HA GLU 20 HA GLU 20 -12.782 6.939 -9.796 200 1HB GLU 20 1HB GLU 20 -13.502 8.405 -12.308 201 2HB GLU 20 2HB GLU 20 -13.252 6.677 -12.460 202 1HG GLU 20 1HG GLU 20 -15.408 6.461 -11.757 203 2HG GLU 20 2HG GLU 20 -14.795 6.817 -10.154 204 QB GLU 20 QB GLU 20 -13.377 7.541 -12.384 205 QG GLU 20 QG GLU 20 -15.102 6.639 -10.955 206 H GLU 21 H GLU 21 -10.575 8.830 -11.887 207 HA GLU 21 HA GLU 21 -9.230 6.795 -13.089 208 1HB GLU 21 1HB GLU 21 -8.681 8.955 -13.828 209 2HB GLU 21 2HB GLU 21 -8.469 9.577 -12.203 210 1HG GLU 21 1HG GLU 21 -6.293 8.789 -12.024 211 2HG GLU 21 2HG GLU 21 -6.604 7.375 -13.011 212 QB GLU 21 QB GLU 21 -8.575 9.266 -13.016 213 QG GLU 21 QG GLU 21 -6.448 8.082 -12.517 214 H GLN 22 H GLN 22 -8.679 8.265 -9.828 215 HA GLN 22 HA GLN 22 -6.410 6.802 -9.242 216 1HB GLN 22 1HB GLN 22 -8.453 8.347 -7.691 217 2HB GLN 22 2HB GLN 22 -7.465 7.231 -6.771 218 1HG GLN 22 1HG GLN 22 -6.050 9.058 -6.697 219 2HG GLN 22 2HG GLN 22 -5.481 8.362 -8.201 220 1HE2 GLN 22 1HE2 GLN 22 -6.556 11.105 -6.715 221 2HE2 GLN 22 2HE2 GLN 22 -7.028 12.060 -8.081 222 QB GLN 22 QB GLN 22 -7.959 7.789 -7.231 223 QG GLN 22 QG GLN 22 -5.765 8.710 -7.449 224 QE GLN 22 QE2 GLN 22 -6.792 11.582 -7.398 225 H ILE 23 H ILE 23 -9.906 6.071 -8.883 226 HA ILE 23 HA ILE 23 -9.454 3.692 -7.385 227 HB ILE 23 HB ILE 23 -11.782 5.045 -8.674 228 1HG1 ILE 23 1HG1 ILE 23 -11.289 4.026 -5.860 229 2HG1 ILE 23 2HG1 ILE 23 -10.986 5.666 -6.401 230 1HG2 ILE 23 1HG2 ILE 23 -11.525 2.143 -8.263 231 2HG2 ILE 23 2HG2 ILE 23 -12.959 2.874 -7.503 232 3HG2 ILE 23 3HG2 ILE 23 -12.678 3.074 -9.249 233 1HD1 ILE 23 1HD1 ILE 23 -13.696 4.687 -7.098 234 2HD1 ILE 23 2HD1 ILE 23 -13.382 4.761 -5.347 235 3HD1 ILE 23 3HD1 ILE 23 -13.200 6.223 -6.347 236 MG ILE 23 QG2 ILE 23 -12.388 2.697 -8.338 237 MD ILE 23 QD1 ILE 23 -13.426 5.224 -6.264 238 QG ILE 23 QG1 ILE 23 -11.138 4.846 -6.130 239 H LYS 24 H LYS 24 -9.875 4.553 -10.843 240 HA LYS 24 HA LYS 24 -10.054 1.861 -11.706 241 1HB LYS 24 1HB LYS 24 -10.995 3.297 -13.226 242 2HB LYS 24 2HB LYS 24 -9.797 4.550 -12.972 243 1HG LYS 24 1HG LYS 24 -8.097 3.201 -14.189 244 2HG LYS 24 2HG LYS 24 -9.256 1.904 -14.401 245 1HD LYS 24 1HD LYS 24 -10.152 4.604 -15.336 246 2HD LYS 24 2HD LYS 24 -8.839 3.885 -16.247 247 1HE LYS 24 1HE LYS 24 -10.597 1.735 -15.934 248 2HE LYS 24 2HE LYS 24 -11.691 3.092 -16.116 249 1HZ LYS 24 1HZ LYS 24 -9.696 3.427 -17.977 250 2HZ LYS 24 2HZ LYS 24 -10.128 1.854 -18.067 251 3HZ LYS 24 3HZ LYS 24 -11.254 3.022 -18.256 252 QB LYS 24 QB LYS 24 -10.396 3.923 -13.099 253 QD LYS 24 QD LYS 24 -9.495 4.244 -15.792 254 QG LYS 24 QG LYS 24 -8.677 2.552 -14.295 255 QE LYS 24 QE LYS 24 -11.144 2.413 -16.025 256 QZ LYS 24 QZ LYS 24 -10.359 2.768 -18.100 257 H ASN 25 H ASN 25 -7.495 3.787 -10.462 258 HA ASN 25 HA ASN 25 -5.457 2.571 -12.024 259 1HB ASN 25 1HB ASN 25 -5.619 4.516 -9.734 260 2HB ASN 25 2HB ASN 25 -4.120 3.618 -9.871 261 1HD2 ASN 25 1HD2 ASN 25 -2.714 4.007 -11.496 262 2HD2 ASN 25 2HD2 ASN 25 -2.878 5.276 -12.665 263 QB ASN 25 QB ASN 25 -4.870 4.067 -9.803 264 QD ASN 25 QD2 ASN 25 -2.796 4.642 -12.081 265 H LEU 26 H LEU 26 -6.567 2.481 -8.552 266 HA LEU 26 HA LEU 26 -4.842 0.597 -7.591 267 1HB LEU 26 1HB LEU 26 -6.786 2.031 -6.533 268 2HB LEU 26 2HB LEU 26 -7.709 0.557 -6.750 269 HG LEU 26 HG LEU 26 -5.393 -0.360 -5.543 270 1HD1 LEU 26 2HD1 LEU 26 -5.246 2.357 -5.167 271 2HD1 LEU 26 3HD1 LEU 26 -6.042 1.804 -3.674 272 3HD1 LEU 26 1HD1 LEU 26 -4.468 1.121 -4.149 273 1HD2 LEU 26 3HD2 LEU 26 -8.175 0.247 -4.627 274 2HD2 LEU 26 1HD2 LEU 26 -7.338 -1.314 -4.800 275 3HD2 LEU 26 2HD2 LEU 26 -6.960 -0.249 -3.424 276 MD1 LEU 26 QD1 LEU 26 -5.252 1.761 -4.330 277 MD2 LEU 26 QD2 LEU 26 -7.491 -0.439 -4.284 278 QB LEU 26 QB LEU 26 -7.248 1.294 -6.641 279 QD LEU 26 QQD LEU 26 -6.372 0.661 -4.307 280 H LEU 27 H LEU 27 -8.214 -0.113 -8.764 281 HA LEU 27 HA LEU 27 -8.110 -2.801 -8.724 282 1HB LEU 27 1HB LEU 27 -9.473 -0.804 -10.459 283 2HB LEU 27 2HB LEU 27 -9.529 -2.482 -10.958 284 HG LEU 27 HG LEU 27 -10.182 -2.369 -8.173 285 1HD1 LEU 27 2HD1 LEU 27 -11.632 -0.345 -9.889 286 2HD1 LEU 27 3HD1 LEU 27 -12.312 -1.026 -8.391 287 3HD1 LEU 27 1HD1 LEU 27 -10.800 -0.086 -8.337 288 1HD2 LEU 27 3HD2 LEU 27 -11.335 -3.340 -10.715 289 2HD2 LEU 27 1HD2 LEU 27 -11.171 -4.146 -9.136 290 3HD2 LEU 27 2HD2 LEU 27 -12.507 -3.005 -9.417 291 MD1 LEU 27 QD1 LEU 27 -11.581 -0.486 -8.872 292 MD2 LEU 27 QD2 LEU 27 -11.671 -3.497 -9.756 293 QB LEU 27 QB LEU 27 -9.501 -1.643 -10.709 294 QD LEU 27 QQD LEU 27 -11.626 -1.991 -9.314 295 H GLN 28 H GLN 28 -6.965 -0.703 -11.458 296 HA GLN 28 HA GLN 28 -6.108 -2.766 -13.046 297 1HB GLN 28 1HB GLN 28 -6.265 -0.116 -13.380 298 2HB GLN 28 2HB GLN 28 -4.560 -0.179 -12.978 299 1HG GLN 28 1HG GLN 28 -5.123 -2.304 -14.860 300 2HG GLN 28 2HG GLN 28 -5.820 -0.823 -15.485 301 1HE2 GLN 28 1HE2 GLN 28 -3.523 -2.395 -16.383 302 2HE2 GLN 28 2HE2 GLN 28 -2.155 -1.334 -16.418 303 QB GLN 28 QB GLN 28 -5.413 -0.148 -13.179 304 QG GLN 28 QG GLN 28 -5.471 -1.564 -15.172 305 QE GLN 28 QE2 GLN 28 -2.839 -1.864 -16.401 306 H LEU 29 H LEU 29 -4.526 -1.118 -10.287 307 HA LEU 29 HA LEU 29 -1.974 -2.242 -10.727 308 1HB LEU 29 1HB LEU 29 -2.024 -0.301 -9.464 309 2HB LEU 29 2HB LEU 29 -3.355 -0.849 -8.465 310 HG LEU 29 HG LEU 29 -1.807 -2.530 -7.424 311 1HD1 LEU 29 2HD1 LEU 29 0.039 -1.368 -9.415 312 2HD1 LEU 29 3HD1 LEU 29 0.709 -1.580 -7.780 313 3HD1 LEU 29 1HD1 LEU 29 0.025 -2.975 -8.649 314 1HD2 LEU 29 2HD2 LEU 29 -1.458 0.434 -7.174 315 2HD2 LEU 29 3HD2 LEU 29 -2.174 -0.735 -6.038 316 3HD2 LEU 29 1HD2 LEU 29 -0.407 -0.655 -6.237 317 MD1 LEU 29 QD1 LEU 29 0.257 -1.974 -8.615 318 MD2 LEU 29 QD2 LEU 29 -1.346 -0.319 -6.483 319 QB LEU 29 QB LEU 29 -2.689 -0.575 -8.964 320 QD LEU 29 QQD LEU 29 -0.544 -1.146 -7.549 321 H GLU 30 H GLU 30 -4.474 -3.005 -8.195 322 HA GLU 30 HA GLU 30 -3.272 -5.261 -7.282 323 1HB GLU 30 1HB GLU 30 -5.466 -3.935 -6.558 324 2HB GLU 30 2HB GLU 30 -6.283 -5.164 -7.504 325 1HG GLU 30 1HG GLU 30 -4.360 -6.559 -5.922 326 2HG GLU 30 2HG GLU 30 -5.096 -5.385 -4.848 327 QB GLU 30 QB GLU 30 -5.874 -4.550 -7.031 328 QG GLU 30 QG GLU 30 -4.728 -5.972 -5.385 329 H ALA 31 H ALA 31 -4.967 -4.725 -10.316 330 HA ALA 31 HA ALA 31 -5.676 -7.396 -10.850 331 1HB ALA 31 2HB ALA 31 -6.008 -6.579 -13.125 332 2HB ALA 31 3HB ALA 31 -6.611 -5.366 -11.970 333 3HB ALA 31 1HB ALA 31 -5.043 -5.124 -12.776 334 MB ALA 31 QB ALA 31 -5.887 -5.690 -12.624 335 H GLN 32 H GLN 32 -2.712 -5.434 -11.353 336 HA GLN 32 HA GLN 32 -1.436 -7.211 -13.036 337 1HB GLN 32 1HB GLN 32 -0.600 -4.977 -11.219 338 2HB GLN 32 2HB GLN 32 0.665 -6.058 -11.769 339 1HG GLN 32 1HG GLN 32 -1.321 -4.678 -13.636 340 2HG GLN 32 2HG GLN 32 0.274 -4.049 -13.275 341 1HE2 GLN 32 1HE2 GLN 32 -0.373 -4.548 -15.829 342 2HE2 GLN 32 2HE2 GLN 32 0.473 -5.923 -16.457 343 QB GLN 32 QB GLN 32 0.033 -5.517 -11.494 344 QG GLN 32 QG GLN 32 -0.523 -4.363 -13.455 345 QE GLN 32 QE2 GLN 32 0.050 -5.236 -16.143 346 H GLU 33 H GLU 33 -1.931 -9.357 -12.191 347 HA GLU 33 HA GLU 33 -1.432 -10.201 -9.661 348 1HB GLU 33 1HB GLU 33 -1.532 -11.517 -12.355 349 2HB GLU 33 2HB GLU 33 -0.856 -12.463 -11.043 350 1HG GLU 33 1HG GLU 33 -3.147 -11.297 -9.898 351 2HG GLU 33 2HG GLU 33 -3.656 -11.675 -11.531 352 QB GLU 33 QB GLU 33 -1.194 -11.990 -11.699 353 QG GLU 33 QG GLU 33 -3.401 -11.486 -10.714 354 H HIS 34 H HIS 34 0.464 -9.409 -8.684 355 HA HIS 34 HA HIS 34 2.770 -10.908 -9.064 356 1HB HIS 34 1HB HIS 34 2.614 -8.378 -10.628 357 2HB HIS 34 2HB HIS 34 4.113 -8.682 -9.771 358 HD1 HIS 34 HD1 HIS 34 4.433 -11.724 -10.169 359 HD2 HIS 34 HD2 HIS 34 3.232 -9.084 -13.200 360 HE1 HIS 34 HE1 HIS 34 4.995 -12.870 -12.378 361 HE2 HIS 34 HE2 HIS 34 4.185 -11.224 -14.203 362 QB HIS 34 QB HIS 34 3.364 -8.530 -10.199 363 H LEU 35 H LEU 35 1.787 -7.491 -8.288 364 HA LEU 35 HA LEU 35 3.484 -7.296 -6.070 365 1HB LEU 35 1HB LEU 35 0.957 -5.729 -6.207 366 2HB LEU 35 2HB LEU 35 2.575 -5.224 -5.761 367 HG LEU 35 HG LEU 35 1.378 -5.545 -8.501 368 1HD1 LEU 35 1HD1 LEU 35 1.344 -3.373 -7.165 369 2HD1 LEU 35 2HD1 LEU 35 3.103 -3.312 -7.429 370 3HD1 LEU 35 3HD1 LEU 35 1.994 -3.298 -8.821 371 1HD2 LEU 35 3HD2 LEU 35 4.163 -6.104 -7.737 372 2HD2 LEU 35 1HD2 LEU 35 3.258 -6.540 -9.206 373 3HD2 LEU 35 2HD2 LEU 35 3.979 -4.920 -9.052 374 MD1 LEU 35 QD1 LEU 35 2.147 -3.328 -7.805 375 MD2 LEU 35 QD2 LEU 35 3.800 -5.855 -8.665 376 QB LEU 35 QB LEU 35 1.766 -5.476 -5.984 377 QD LEU 35 QQD LEU 35 2.974 -4.591 -8.235 378 H GLN 36 H GLN 36 0.109 -8.441 -6.491 379 HA GLN 36 HA GLN 36 -1.188 -9.610 -5.200 380 1HB GLN 36 1HB GLN 36 1.480 -10.209 -3.979 381 2HB GLN 36 2HB GLN 36 0.079 -10.613 -3.009 382 1HG GLN 36 1HG GLN 36 -0.301 -12.458 -4.269 383 2HG GLN 36 2HG GLN 36 -0.465 -11.469 -5.706 384 1HE2 GLN 36 1HE2 GLN 36 1.736 -13.268 -3.664 385 2HE2 GLN 36 2HE2 GLN 36 3.024 -13.470 -4.806 386 QB GLN 36 QB GLN 36 0.779 -10.411 -3.494 387 QG GLN 36 QG GLN 36 -0.383 -11.964 -4.988 388 QE GLN 36 QE2 GLN 36 2.380 -13.369 -4.235 389 H LEU 37 H LEU 37 -1.615 -7.008 -4.912 390 HA LEU 37 HA LEU 37 -1.326 -6.241 -2.138 391 1HB LEU 37 1HB LEU 37 -2.862 -4.628 -4.111 392 2HB LEU 37 2HB LEU 37 -1.814 -4.113 -2.805 393 HG LEU 37 HG LEU 37 -0.055 -5.390 -4.518 394 1HD1 LEU 37 3HD1 LEU 37 -2.203 -4.015 -6.138 395 2HD1 LEU 37 1HD1 LEU 37 -0.543 -4.256 -6.735 396 3HD1 LEU 37 2HD1 LEU 37 -1.553 -5.663 -6.322 397 1HD2 LEU 37 1HD2 LEU 37 -0.676 -2.660 -3.664 398 2HD2 LEU 37 2HD2 LEU 37 0.890 -3.489 -3.825 399 3HD2 LEU 37 3HD2 LEU 37 0.130 -2.740 -5.249 400 MD1 LEU 37 QD1 LEU 37 -1.433 -4.645 -6.399 401 MD2 LEU 37 QD2 LEU 37 0.115 -2.963 -4.246 402 QB LEU 37 QB LEU 37 -2.338 -4.370 -3.458 403 QD LEU 37 QQD LEU 37 -0.659 -3.804 -5.322 404 H ASP 38 H ASP 38 -3.098 -5.807 -0.715 405 HA ASP 38 HA ASP 38 -5.660 -6.775 -1.644 406 1HB ASP 38 1HB ASP 38 -4.137 -8.534 -0.315 407 2HB ASP 38 2HB ASP 38 -4.683 -7.633 1.087 408 QB ASP 38 QB ASP 38 -4.410 -8.084 0.386 409 H PHE 39 H PHE 39 -6.906 -4.930 -1.251 410 HA PHE 39 HA PHE 39 -6.213 -3.235 0.989 411 1HB PHE 39 1HB PHE 39 -8.619 -2.905 -0.844 412 2HB PHE 39 2HB PHE 39 -7.574 -1.655 -0.196 413 HD1 PHE 39 HD1 PHE 39 -8.010 -4.116 -2.860 414 HD2 PHE 39 HD2 PHE 39 -5.462 -1.111 -1.282 415 HE1 PHE 39 HE1 PHE 39 -6.739 -4.057 -5.024 416 HE2 PHE 39 HE2 PHE 39 -4.191 -1.052 -3.446 417 HZ PHE 39 HZ PHE 39 -4.845 -2.527 -5.291 418 QB PHE 39 QB PHE 39 -8.097 -2.280 -0.520 419 QD PHE 39 QD PHE 39 -6.736 -2.614 -2.071 420 QE PHE 39 QE PHE 39 -5.465 -2.555 -4.235 421 QR PHE 39 QR PHE 39 -5.849 -2.573 -3.581 422 H TRP 40 H TRP 40 -7.092 -3.549 2.974 423 HA TRP 40 HA TRP 40 -8.983 -5.419 3.586 424 1HB TRP 40 1HB TRP 40 -8.391 -2.823 5.020 425 2HB TRP 40 2HB TRP 40 -9.278 -4.174 5.698 426 HD1 TRP 40 HD1 TRP 40 -6.838 -6.092 4.005 427 HE1 TRP 40 HE1 TRP 40 -4.640 -6.638 5.360 428 HE3 TRP 40 HE3 TRP 40 -7.479 -2.476 7.522 429 HZ2 TRP 40 HZ2 TRP 40 -3.442 -5.521 7.697 430 HZ3 TRP 40 HZ3 TRP 40 -5.749 -2.271 9.306 431 HH2 TRP 40 HH2 TRP 40 -3.784 -3.720 9.428 432 QB TRP 40 QB TRP 40 -8.835 -3.499 5.359 433 H LYS 41 H LYS 41 -9.433 -1.860 2.997 434 HA LYS 41 HA LYS 41 -12.244 -2.474 2.403 435 1HB LYS 41 1HB LYS 41 -11.818 -1.239 4.587 436 2HB LYS 41 2HB LYS 41 -11.246 0.110 3.624 437 1HG LYS 41 1HG LYS 41 -13.463 0.062 2.367 438 2HG LYS 41 2HG LYS 41 -14.021 -1.161 3.491 439 1HD LYS 41 1HD LYS 41 -13.825 0.360 5.380 440 2HD LYS 41 2HD LYS 41 -12.965 1.545 4.418 441 1HE LYS 41 1HE LYS 41 -15.052 2.496 4.215 442 2HE LYS 41 2HE LYS 41 -15.225 1.340 2.909 443 1HZ LYS 41 1HZ LYS 41 -16.025 0.818 5.687 444 2HZ LYS 41 2HZ LYS 41 -17.046 1.271 4.497 445 3HZ LYS 41 3HZ LYS 41 -16.277 -0.167 4.410 446 QB LYS 41 QB LYS 41 -11.532 -0.564 4.105 447 QD LYS 41 QD LYS 41 -13.395 0.953 4.899 448 QG LYS 41 QG LYS 41 -13.742 -0.549 2.929 449 QE LYS 41 QE LYS 41 -15.138 1.918 3.562 450 QZ LYS 41 QZ LYS 41 -16.450 0.641 4.865 451 H SER 42 H SER 42 -11.486 -2.853 0.182 452 HA SER 42 HA SER 42 -10.010 -1.330 -1.365 453 1HB SER 42 1HB SER 42 -11.449 -1.977 -3.271 454 2HB SER 42 2HB SER 42 -11.229 -3.316 -2.161 455 HG SER 42 HG SER 42 -13.554 -1.672 -2.565 456 QB SER 42 QB SER 42 -11.339 -2.646 -2.716 457 HA PRO 43 HA PRO 43 -11.827 2.629 -1.515 458 1HB PRO 43 1HB PRO 43 -10.511 3.686 -3.664 459 2HB PRO 43 2HB PRO 43 -9.816 3.610 -2.057 460 1HG PRO 43 1HG PRO 43 -9.209 1.941 -4.421 461 2HG PRO 43 2HG PRO 43 -8.258 2.172 -2.967 462 1HD PRO 43 1HD PRO 43 -9.863 -0.113 -3.621 463 2HD PRO 43 2HD PRO 43 -9.007 0.170 -2.119 464 QB PRO 43 QB PRO 43 -10.163 3.648 -2.861 465 QG PRO 43 QG PRO 43 -8.733 2.056 -3.694 466 QD PRO 43 QD PRO 43 -9.435 0.029 -2.870 467 H THR 44 H THR 44 -13.687 0.915 -2.224 468 HA THR 44 HA THR 44 -14.531 0.941 -4.841 469 HB THR 44 HB THR 44 -15.798 0.644 -2.115 470 HG1 THR 44 HG1 THR 44 -15.775 -1.451 -2.942 471 1HG2 THR 44 2HG2 THR 44 -17.246 1.394 -4.606 472 2HG2 THR 44 3HG2 THR 44 -17.785 -0.145 -3.895 473 3HG2 THR 44 1HG2 THR 44 -17.837 1.348 -2.928 474 MG THR 44 QG2 THR 44 -17.623 0.866 -3.810 475 H THR 45 H THR 45 -15.646 3.219 -2.241 476 HA THR 45 HA THR 45 -16.613 4.980 -4.359 477 HB THR 45 HB THR 45 -18.008 5.875 -2.662 478 HG1 THR 45 HG1 THR 45 -17.228 5.917 -0.495 479 1HG2 THR 45 3HG2 THR 45 -18.320 3.292 -2.885 480 2HG2 THR 45 1HG2 THR 45 -17.394 3.181 -1.369 481 3HG2 THR 45 2HG2 THR 45 -18.946 4.054 -1.403 482 MG THR 45 QG2 THR 45 -18.220 3.509 -1.886 483 HA PRO 46 HA PRO 46 -13.481 7.881 -3.925 484 1HB PRO 46 1HB PRO 46 -14.755 10.290 -4.142 485 2HB PRO 46 2HB PRO 46 -14.389 9.271 -5.521 486 1HG PRO 46 1HG PRO 46 -16.989 9.725 -4.190 487 2HG PRO 46 2HG PRO 46 -16.671 9.072 -5.784 488 1HD PRO 46 1HD PRO 46 -17.418 7.594 -3.442 489 2HD PRO 46 2HD PRO 46 -16.988 6.932 -5.007 490 QB PRO 46 QB PRO 46 -14.572 9.780 -4.832 491 QG PRO 46 QG PRO 46 -16.830 9.398 -4.987 492 QD PRO 46 QD PRO 46 -17.203 7.263 -4.224 493 H GLY 47 H GLY 47 -12.127 8.593 -2.388 494 1HA GLY 47 2HA GLY 47 -13.375 9.908 -0.085 495 2HA GLY 47 1HA GLY 47 -11.677 9.907 -0.517 496 QA GLY 47 QA GLY 47 -12.526 9.907 -0.301 497 H GLU 48 H GLU 48 -13.841 7.027 -0.418 498 HA GLU 48 HA GLU 48 -13.510 6.120 2.044 499 1HB GLU 48 1HB GLU 48 -14.537 5.047 -0.176 500 2HB GLU 48 2HB GLU 48 -13.033 4.148 -0.190 501 1HG GLU 48 1HG GLU 48 -14.085 4.136 2.510 502 2HG GLU 48 2HG GLU 48 -15.368 3.666 1.414 503 QB GLU 48 QB GLU 48 -13.785 4.598 -0.183 504 QG GLU 48 QG GLU 48 -14.727 3.901 1.962 505 H THR 49 H THR 49 -11.836 5.646 3.404 506 HA THR 49 HA THR 49 -9.158 5.765 2.408 507 HB THR 49 HB THR 49 -8.760 5.200 4.935 508 HG1 THR 49 HG1 THR 49 -10.732 5.177 6.124 509 1HG2 THR 49 3HG2 THR 49 -9.270 7.616 3.734 510 2HG2 THR 49 1HG2 THR 49 -10.664 7.515 4.837 511 3HG2 THR 49 2HG2 THR 49 -9.008 7.441 5.486 512 MG THR 49 QG2 THR 49 -9.647 7.524 4.686 513 H ALA 50 H ALA 50 -7.637 4.169 2.134 514 HA ALA 50 HA ALA 50 -8.662 1.429 2.442 515 1HB ALA 50 1HB ALA 50 -7.708 0.831 0.347 516 2HB ALA 50 3HB ALA 50 -6.783 2.349 0.243 517 3HB ALA 50 2HB ALA 50 -8.553 2.370 0.050 518 MB ALA 50 QB ALA 50 -7.681 1.850 0.213 519 H HIS 51 H HIS 51 -6.999 -0.193 2.900 520 HA HIS 51 HA HIS 51 -4.401 0.848 3.612 521 1HB HIS 51 1HB HIS 51 -5.760 -0.735 5.749 522 2HB HIS 51 2HB HIS 51 -4.464 0.438 5.873 523 HD1 HIS 51 HD1 HIS 51 -7.947 0.076 6.626 524 HD2 HIS 51 HD2 HIS 51 -5.554 3.224 5.231 525 HE1 HIS 51 HE1 HIS 51 -9.243 2.222 7.098 526 HE2 HIS 51 HE2 HIS 51 -7.699 4.125 6.270 527 QB HIS 51 QB HIS 51 -5.112 -0.148 5.811 528 H VAL 52 H VAL 52 -3.400 -0.474 2.100 529 HA VAL 52 HA VAL 52 -3.966 -3.344 2.361 530 HB VAL 52 HB VAL 52 -4.439 -2.892 0.182 531 1HG1 VAL 52 1HG1 VAL 52 -2.255 -0.780 0.172 532 2HG1 VAL 52 2HG1 VAL 52 -3.284 -1.202 -1.218 533 3HG1 VAL 52 3HG1 VAL 52 -4.010 -0.498 0.246 534 1HG2 VAL 52 3HG2 VAL 52 -2.293 -4.390 0.518 535 2HG2 VAL 52 1HG2 VAL 52 -2.833 -3.926 -1.113 536 3HG2 VAL 52 2HG2 VAL 52 -1.488 -3.054 -0.340 537 MG1 VAL 52 QG1 VAL 52 -3.183 -0.827 -0.267 538 MG2 VAL 52 QG2 VAL 52 -2.205 -3.790 -0.312 539 QG VAL 52 QQG VAL 52 -2.694 -2.309 -0.289 540 H ARG 53 H ARG 53 -2.192 -4.816 2.517 541 HA ARG 53 HA ARG 53 0.067 -3.571 3.766 542 1HB ARG 53 1HB ARG 53 0.714 -6.066 4.146 543 2HB ARG 53 2HB ARG 53 -0.718 -5.478 4.965 544 1HG ARG 53 1HG ARG 53 -2.151 -6.757 3.687 545 2HG ARG 53 2HG ARG 53 -1.209 -6.547 2.224 546 1HD ARG 53 1HD ARG 53 0.504 -8.061 3.842 547 2HD ARG 53 2HD ARG 53 -1.075 -8.703 4.249 548 HE ARG 53 HE ARG 53 -0.804 -8.411 1.380 549 1HH1 ARG 53 2HH1 ARG 53 -0.556 -10.280 0.089 550 2HH1 ARG 53 1HH1 ARG 53 -0.068 -11.776 0.815 551 1HH2 ARG 53 2HH2 ARG 53 0.143 -10.464 4.077 552 2HH2 ARG 53 1HH2 ARG 53 0.331 -11.880 3.099 553 QB ARG 53 QB ARG 53 -0.002 -5.772 4.555 554 QG ARG 53 QG ARG 53 -1.680 -6.652 2.955 555 QD ARG 53 QD ARG 53 -0.286 -8.382 4.045 556 QH1 ARG 53 QH1 ARG 53 -0.312 -11.028 0.452 557 QH2 ARG 53 QH2 ARG 53 0.237 -11.172 3.588 558 H VAL 54 H VAL 54 1.073 -2.595 1.857 559 HA VAL 54 HA VAL 54 1.862 -4.368 -0.281 560 HB VAL 54 HB VAL 54 1.088 -1.838 -0.294 561 1HG1 VAL 54 2HG1 VAL 54 2.901 -1.027 1.150 562 2HG1 VAL 54 3HG1 VAL 54 4.105 -1.608 -0.025 563 3HG1 VAL 54 1HG1 VAL 54 2.991 -0.293 -0.470 564 1HG2 VAL 54 2HG2 VAL 54 1.996 -3.528 -2.158 565 2HG2 VAL 54 3HG2 VAL 54 1.689 -1.809 -2.498 566 3HG2 VAL 54 1HG2 VAL 54 3.346 -2.369 -2.172 567 MG1 VAL 54 QG1 VAL 54 3.332 -0.976 0.218 568 MG2 VAL 54 QG2 VAL 54 2.344 -2.569 -2.276 569 QG VAL 54 QQG VAL 54 2.838 -1.772 -1.029 570 HA PRO 55 HA PRO 55 5.765 -5.213 1.375 571 1HB PRO 55 1HB PRO 55 7.111 -5.990 -0.873 572 2HB PRO 55 2HB PRO 55 6.023 -7.046 0.006 573 1HG PRO 55 1HG PRO 55 5.582 -5.661 -2.567 574 2HG PRO 55 2HG PRO 55 4.713 -7.024 -1.891 575 1HD PRO 55 1HD PRO 55 3.830 -4.296 -1.976 576 2HD PRO 55 2HD PRO 55 3.015 -5.638 -1.198 577 QB PRO 55 QB PRO 55 6.567 -6.518 -0.434 578 QG PRO 55 QG PRO 55 5.148 -6.343 -2.229 579 QD PRO 55 QD PRO 55 3.422 -4.967 -1.587 580 H PHE 56 H PHE 56 7.502 -4.128 2.109 581 HA PHE 56 HA PHE 56 7.845 -1.525 1.425 582 1HB PHE 56 1HB PHE 56 8.878 -3.202 3.255 583 2HB PHE 56 2HB PHE 56 10.182 -3.378 2.097 584 HD1 PHE 56 HD1 PHE 56 8.274 -0.736 3.910 585 HD2 PHE 56 HD2 PHE 56 11.967 -1.902 2.175 586 HE1 PHE 56 HE1 PHE 56 9.354 1.343 4.812 587 HE2 PHE 56 HE2 PHE 56 13.047 0.177 3.077 588 HZ PHE 56 HZ PHE 56 11.727 1.774 4.384 589 QB PHE 56 QB PHE 56 9.530 -3.290 2.676 590 QD PHE 56 QD PHE 56 10.120 -1.319 3.042 591 QE PHE 56 QE PHE 56 11.200 0.760 3.944 592 QR PHE 56 QR PHE 56 10.874 0.131 3.671 593 H VAL 57 H VAL 57 9.276 -4.433 -0.121 594 HA VAL 57 HA VAL 57 11.145 -3.033 -1.687 595 HB VAL 57 HB VAL 57 11.485 -5.324 -1.316 596 1HG1 VAL 57 3HG1 VAL 57 8.608 -5.625 -2.134 597 2HG1 VAL 57 1HG1 VAL 57 9.727 -6.997 -2.319 598 3HG1 VAL 57 2HG1 VAL 57 9.461 -6.275 -0.713 599 1HG2 VAL 57 3HG2 VAL 57 11.645 -4.307 -3.793 600 2HG2 VAL 57 1HG2 VAL 57 12.070 -5.994 -3.416 601 3HG2 VAL 57 2HG2 VAL 57 10.475 -5.612 -4.107 602 MG1 VAL 57 QG1 VAL 57 9.265 -6.299 -1.722 603 MG2 VAL 57 QG2 VAL 57 11.397 -5.304 -3.772 604 QG VAL 57 QQG VAL 57 10.331 -5.802 -2.747 605 H ASN 58 H ASN 58 7.671 -3.403 -1.838 606 HA ASN 58 HA ASN 58 7.718 -2.522 -4.606 607 1HB ASN 58 1HB ASN 58 6.291 -4.502 -4.103 608 2HB ASN 58 2HB ASN 58 5.439 -3.601 -2.866 609 1HD2 ASN 58 1HD2 ASN 58 3.460 -3.825 -3.830 610 2HD2 ASN 58 2HD2 ASN 58 2.987 -2.993 -5.275 611 QB ASN 58 QB ASN 58 5.865 -4.051 -3.484 612 QD ASN 58 QD2 ASN 58 3.224 -3.409 -4.552 613 H VAL 59 H VAL 59 7.210 -1.566 -1.289 614 HA VAL 59 HA VAL 59 5.256 0.304 -1.341 615 HB VAL 59 HB VAL 59 7.831 -0.034 0.109 616 1HG1 VAL 59 2HG1 VAL 59 6.249 2.540 0.049 617 2HG1 VAL 59 3HG1 VAL 59 7.191 2.056 1.480 618 3HG1 VAL 59 1HG1 VAL 59 8.009 2.300 -0.083 619 1HG2 VAL 59 1HG2 VAL 59 4.922 0.234 0.938 620 2HG2 VAL 59 2HG2 VAL 59 5.889 -1.259 0.867 621 3HG2 VAL 59 3HG2 VAL 59 6.280 -0.003 2.065 622 MG1 VAL 59 QG1 VAL 59 7.149 2.299 0.482 623 MG2 VAL 59 QG2 VAL 59 5.697 -0.343 1.290 624 QG VAL 59 QQG VAL 59 6.423 0.978 0.886 625 H GLN 60 H GLN 60 8.582 0.546 -2.671 626 HA GLN 60 HA GLN 60 8.451 3.280 -3.184 627 1HB GLN 60 1HB GLN 60 10.487 1.636 -3.166 628 2HB GLN 60 2HB GLN 60 10.070 1.316 -4.837 629 1HG GLN 60 1HG GLN 60 10.886 3.326 -5.546 630 2HG GLN 60 2HG GLN 60 10.095 4.204 -4.253 631 1HE2 GLN 60 1HE2 GLN 60 12.832 4.297 -5.429 632 2HE2 GLN 60 2HE2 GLN 60 13.937 4.155 -4.100 633 QB GLN 60 QB GLN 60 10.279 1.476 -4.001 634 QG GLN 60 QG GLN 60 10.491 3.765 -4.899 635 QE GLN 60 QE2 GLN 60 13.385 4.226 -4.765 636 H ALA 61 H ALA 61 8.359 0.557 -5.603 637 HA ALA 61 HA ALA 61 7.546 1.968 -7.762 638 1HB ALA 61 1HB ALA 61 6.347 -0.269 -8.361 639 2HB ALA 61 3HB ALA 61 6.990 -0.847 -6.805 640 3HB ALA 61 2HB ALA 61 8.104 -0.294 -8.078 641 MB ALA 61 QB ALA 61 7.147 -0.470 -7.748 642 H VAL 62 H VAL 62 5.628 0.981 -4.921 643 HA VAL 62 HA VAL 62 3.127 1.622 -6.128 644 HB VAL 62 HB VAL 62 3.866 1.319 -3.212 645 1HG1 VAL 62 1HG1 VAL 62 1.318 1.645 -4.694 646 2HG1 VAL 62 2HG1 VAL 62 1.334 0.366 -3.455 647 3HG1 VAL 62 3HG1 VAL 62 1.730 2.043 -3.008 648 1HG2 VAL 62 1HG2 VAL 62 4.153 -0.603 -5.211 649 2HG2 VAL 62 2HG2 VAL 62 4.050 -0.898 -3.459 650 3HG2 VAL 62 3HG2 VAL 62 2.583 -0.982 -4.464 651 MG1 VAL 62 QG1 VAL 62 1.461 1.351 -3.719 652 MG2 VAL 62 QG2 VAL 62 3.596 -0.828 -4.378 653 QG VAL 62 QQG VAL 62 2.528 0.262 -4.049 654 H LYS 63 H LYS 63 5.486 3.271 -3.955 655 HA LYS 63 HA LYS 63 3.926 5.503 -3.408 656 1HB LYS 63 1HB LYS 63 6.824 4.811 -3.305 657 2HB LYS 63 2HB LYS 63 6.411 6.514 -3.260 658 1HG LYS 63 1HG LYS 63 4.562 5.249 -1.506 659 2HG LYS 63 2HG LYS 63 6.105 4.491 -1.172 660 1HD LYS 63 1HD LYS 63 7.128 6.822 -0.993 661 2HD LYS 63 2HD LYS 63 5.514 7.486 -1.142 662 1HE LYS 63 1HE LYS 63 4.837 6.709 0.964 663 2HE LYS 63 2HE LYS 63 5.951 5.355 0.945 664 1HZ LYS 63 3HZ LYS 63 7.427 7.705 0.855 665 2HZ LYS 63 2HZ LYS 63 7.377 6.590 2.046 666 3HZ LYS 63 1HZ LYS 63 6.340 7.851 2.064 667 QB LYS 63 QB LYS 63 6.617 5.663 -3.283 668 QD LYS 63 QD LYS 63 6.321 7.154 -1.067 669 QG LYS 63 QG LYS 63 5.333 4.870 -1.339 670 QE LYS 63 QE LYS 63 5.394 6.032 0.955 671 QZ LYS 63 QZ LYS 63 7.048 7.382 1.655 672 H VAL 64 H VAL 64 5.859 4.580 -6.254 673 HA VAL 64 HA VAL 64 5.736 7.197 -7.401 674 HB VAL 64 HB VAL 64 6.642 4.473 -8.283 675 1HG1 VAL 64 1HG1 VAL 64 6.478 6.952 -10.032 676 2HG1 VAL 64 2HG1 VAL 64 7.340 5.451 -10.445 677 3HG1 VAL 64 3HG1 VAL 64 5.570 5.437 -10.251 678 1HG2 VAL 64 2HG2 VAL 64 7.859 6.725 -7.039 679 2HG2 VAL 64 3HG2 VAL 64 8.620 5.204 -7.562 680 3HG2 VAL 64 1HG2 VAL 64 8.539 6.588 -8.678 681 MG1 VAL 64 QG1 VAL 64 6.463 5.946 -10.243 682 MG2 VAL 64 QG2 VAL 64 8.339 6.172 -7.760 683 QG VAL 64 QQG VAL 64 7.401 6.059 -9.001 684 H PHE 65 H PHE 65 3.836 4.174 -7.493 685 HA PHE 65 HA PHE 65 2.329 4.793 -9.762 686 1HB PHE 65 1HB PHE 65 2.604 2.589 -8.406 687 2HB PHE 65 2HB PHE 65 1.522 3.276 -7.211 688 HD1 PHE 65 HD1 PHE 65 1.666 2.516 -10.860 689 HD2 PHE 65 HD2 PHE 65 -0.751 2.876 -7.390 690 HE1 PHE 65 HE1 PHE 65 -0.308 1.646 -12.144 691 HE2 PHE 65 HE2 PHE 65 -2.724 2.005 -8.675 692 HZ PHE 65 HZ PHE 65 -2.479 1.401 -11.036 693 QB PHE 65 QB PHE 65 2.063 2.932 -7.808 694 QD PHE 65 QD PHE 65 0.457 2.696 -9.125 695 QE PHE 65 QE PHE 65 -1.516 1.825 -10.409 696 QR PHE 65 QR PHE 65 -0.919 2.089 -10.021 697 H LEU 66 H LEU 66 1.537 5.162 -6.227 698 HA LEU 66 HA LEU 66 -0.925 6.288 -6.485 699 1HB LEU 66 1HB LEU 66 1.279 6.713 -4.482 700 2HB LEU 66 2HB LEU 66 -0.278 7.501 -4.321 701 HG LEU 66 HG LEU 66 -0.492 4.606 -4.771 702 1HD1 LEU 66 2HD1 LEU 66 1.676 5.165 -3.275 703 2HD1 LEU 66 3HD1 LEU 66 0.421 5.199 -2.013 704 3HD1 LEU 66 1HD1 LEU 66 0.636 3.744 -3.015 705 1HD2 LEU 66 2HD2 LEU 66 -1.625 6.594 -2.797 706 2HD2 LEU 66 3HD2 LEU 66 -2.442 5.797 -4.162 707 3HD2 LEU 66 1HD2 LEU 66 -1.972 4.849 -2.731 708 MD1 LEU 66 QD1 LEU 66 0.911 4.703 -2.768 709 MD2 LEU 66 QD2 LEU 66 -2.013 5.746 -3.230 710 QB LEU 66 QB LEU 66 0.501 7.107 -4.401 711 QD LEU 66 QQD LEU 66 -0.551 5.225 -2.999 712 H GLU 67 H GLU 67 2.237 8.078 -6.334 713 HA GLU 67 HA GLU 67 1.169 10.561 -6.722 714 1HB GLU 67 1HB GLU 67 3.847 9.289 -7.138 715 2HB GLU 67 2HB GLU 67 3.596 10.833 -7.928 716 1HG GLU 67 1HG GLU 67 2.666 10.690 -5.090 717 2HG GLU 67 2HG GLU 67 4.399 10.558 -5.315 718 QB GLU 67 QB GLU 67 3.721 10.061 -7.533 719 QG GLU 67 QG GLU 67 3.533 10.624 -5.203 720 H SER 68 H SER 68 2.282 8.127 -9.157 721 HA SER 68 HA SER 68 2.024 9.669 -11.384 722 1HB SER 68 1HB SER 68 2.232 7.683 -12.579 723 2HB SER 68 2HB SER 68 2.832 7.179 -11.012 724 HG SER 68 HG SER 68 0.697 6.330 -10.527 725 QB SER 68 QB SER 68 2.532 7.431 -11.796 726 H GLN 69 H GLN 69 -0.462 7.778 -9.578 727 HA GLN 69 HA GLN 69 -2.474 8.503 -11.475 728 1HB GLN 69 1HB GLN 69 -3.993 7.245 -9.940 729 2HB GLN 69 2HB GLN 69 -2.595 6.305 -10.422 730 1HG GLN 69 1HG GLN 69 -1.469 6.770 -8.289 731 2HG GLN 69 2HG GLN 69 -2.730 7.893 -7.817 732 1HE2 GLN 69 1HE2 GLN 69 -1.596 4.801 -7.543 733 2HE2 GLN 69 2HE2 GLN 69 -3.013 3.976 -6.987 734 QB GLN 69 QB GLN 69 -3.294 6.775 -10.181 735 QG GLN 69 QG GLN 69 -2.099 7.331 -8.053 736 QE GLN 69 QE2 GLN 69 -2.304 4.388 -7.265 737 H GLY 70 H GLY 70 -0.867 10.469 -9.600 738 1HA GLY 70 2HA GLY 70 -2.639 12.509 -9.413 739 2HA GLY 70 1HA GLY 70 -1.276 12.294 -8.335 740 QA GLY 70 QA GLY 70 -1.958 12.401 -8.874 741 H ILE 71 H ILE 71 -1.866 10.149 -6.749 742 HA ILE 71 HA ILE 71 -4.498 10.806 -5.626 743 HB ILE 71 HB ILE 71 -4.135 8.493 -6.515 744 1HG1 ILE 71 1HG1 ILE 71 -4.635 8.308 -3.565 745 2HG1 ILE 71 2HG1 ILE 71 -5.688 9.317 -4.537 746 1HG2 ILE 71 2HG2 ILE 71 -1.696 8.562 -5.429 747 2HG2 ILE 71 3HG2 ILE 71 -2.570 7.789 -4.085 748 3HG2 ILE 71 1HG2 ILE 71 -2.589 7.046 -5.703 749 1HD1 ILE 71 3HD1 ILE 71 -5.588 7.080 -6.120 750 2HD1 ILE 71 1HD1 ILE 71 -5.400 6.351 -4.506 751 3HD1 ILE 71 2HD1 ILE 71 -6.826 7.353 -4.870 752 MG ILE 71 QG2 ILE 71 -2.285 7.799 -5.072 753 MD ILE 71 QD1 ILE 71 -5.938 6.928 -5.165 754 QG ILE 71 QG1 ILE 71 -5.162 8.812 -4.051 755 H ALA 72 H ALA 72 -4.452 10.190 -3.098 756 HA ALA 72 HA ALA 72 -1.982 11.340 -2.000 757 1HB ALA 72 1HB ALA 72 -4.049 12.906 -2.195 758 2HB ALA 72 2HB ALA 72 -4.732 11.922 -0.878 759 3HB ALA 72 3HB ALA 72 -3.209 12.810 -0.628 760 MB ALA 72 QB ALA 72 -3.996 12.546 -1.234 761 H TYR 73 H TYR 73 -1.028 9.952 -0.604 762 HA TYR 73 HA TYR 73 -2.794 8.172 0.924 763 1HB TYR 73 1HB TYR 73 -0.767 6.525 0.541 764 2HB TYR 73 2HB TYR 73 -1.843 6.781 -0.819 765 HD1 TYR 73 HD1 TYR 73 1.523 6.695 0.181 766 HD2 TYR 73 HD2 TYR 73 -1.139 8.809 -2.417 767 HE1 TYR 73 HE1 TYR 73 3.491 7.433 -1.250 768 HE2 TYR 73 HE2 TYR 73 0.839 9.539 -3.838 769 HH TYR 73 HH TYR 73 4.105 9.014 -2.786 770 QB TYR 73 QB TYR 73 -1.305 6.653 -0.139 771 QD TYR 73 QD TYR 73 0.192 7.752 -1.118 772 QE TYR 73 QE TYR 73 2.165 8.486 -2.544 773 QR TYR 73 QR TYR 73 1.178 8.119 -1.831 774 H SER 74 H SER 74 -0.865 6.852 2.425 775 HA SER 74 HA SER 74 1.080 8.614 3.405 776 1HB SER 74 1HB SER 74 -1.597 8.576 4.745 777 2HB SER 74 2HB SER 74 -0.204 8.504 5.805 778 HG SER 74 HG SER 74 -1.223 10.693 4.809 779 QB SER 74 QB SER 74 -0.901 8.540 5.275 780 H ILE 75 H ILE 75 2.039 7.638 5.568 781 HA ILE 75 HA ILE 75 1.950 4.736 5.238 782 HB ILE 75 HB ILE 75 3.985 6.596 6.461 783 1HG1 ILE 75 1HG1 ILE 75 4.622 4.721 4.240 784 2HG1 ILE 75 2HG1 ILE 75 3.596 6.084 3.841 785 1HG2 ILE 75 2HG2 ILE 75 4.010 3.568 6.335 786 2HG2 ILE 75 3HG2 ILE 75 5.377 4.600 6.820 787 3HG2 ILE 75 1HG2 ILE 75 3.891 4.571 7.800 788 1HD1 ILE 75 1HD1 ILE 75 6.188 6.431 5.401 789 2HD1 ILE 75 2HD1 ILE 75 6.132 6.461 3.622 790 3HD1 ILE 75 3HD1 ILE 75 5.239 7.681 4.561 791 MG ILE 75 QG2 ILE 75 4.426 4.246 6.985 792 MD ILE 75 QD1 ILE 75 5.853 6.858 4.528 793 QG ILE 75 QG1 ILE 75 4.109 5.403 4.040 794 H MET 76 H MET 76 1.123 3.407 6.788 795 HA MET 76 HA MET 76 0.042 4.761 9.110 796 1HB MET 76 1HB MET 76 -1.188 3.078 7.420 797 2HB MET 76 2HB MET 76 -0.425 1.839 8.396 798 1HG MET 76 1HG MET 76 -2.575 2.186 9.398 799 2HG MET 76 2HG MET 76 -1.443 2.998 10.462 800 1HE MET 76 1HE MET 76 -3.882 3.730 11.141 801 2HE MET 76 2HE MET 76 -4.622 5.228 10.528 802 3HE MET 76 3HE MET 76 -4.914 3.686 9.691 803 QB MET 76 QB MET 76 -0.806 2.459 7.908 804 QG MET 76 QG MET 76 -2.009 2.592 9.930 805 ME MET 76 QE MET 76 -4.473 4.215 10.453 806 H ILE 77 H ILE 77 1.645 1.571 8.372 807 HA ILE 77 HA ILE 77 3.054 1.869 10.932 808 HB ILE 77 HB ILE 77 1.276 0.266 11.208 809 1HG1 ILE 77 1HG1 ILE 77 2.624 -1.705 11.882 810 2HG1 ILE 77 2HG1 ILE 77 3.996 -1.060 11.005 811 1HG2 ILE 77 2HG2 ILE 77 2.472 -1.191 8.834 812 2HG2 ILE 77 3HG2 ILE 77 1.178 -1.808 9.889 813 3HG2 ILE 77 1HG2 ILE 77 0.899 -0.361 8.890 814 1HD1 ILE 77 2HD1 ILE 77 2.561 0.386 13.280 815 2HD1 ILE 77 3HD1 ILE 77 4.093 -0.508 13.438 816 3HD1 ILE 77 1HD1 ILE 77 4.016 0.957 12.428 817 MG ILE 77 QG2 ILE 77 1.516 -1.120 9.205 818 MD ILE 77 QD1 ILE 77 3.557 0.278 13.048 819 QG ILE 77 QG1 ILE 77 3.310 -1.382 11.443 820 H GLU 78 H GLU 78 5.242 1.276 10.947 821 HA GLU 78 HA GLU 78 6.269 0.593 8.302 822 1HB GLU 78 1HB GLU 78 6.712 2.982 9.388 823 2HB GLU 78 2HB GLU 78 7.928 2.121 10.310 824 1HG GLU 78 1HG GLU 78 8.565 1.147 7.875 825 2HG GLU 78 2HG GLU 78 7.802 2.633 7.343 826 QB GLU 78 QB GLU 78 7.320 2.552 9.849 827 QG GLU 78 QG GLU 78 8.184 1.890 7.609 828 H ASP 79 H ASP 79 9.036 0.582 9.768 829 HA ASP 79 HA ASP 79 8.767 -2.172 10.583 830 1HB ASP 79 1HB ASP 79 11.426 -1.733 10.746 831 2HB ASP 79 2HB ASP 79 10.631 -2.105 9.229 832 QB ASP 79 QB ASP 79 11.029 -1.919 9.988 833 H VAL 80 H VAL 80 7.675 -1.521 12.679 834 HA VAL 80 HA VAL 80 8.577 0.213 14.537 835 HB VAL 80 HB VAL 80 6.559 -1.355 14.514 836 1HG1 VAL 80 2HG1 VAL 80 8.220 -3.398 14.490 837 2HG1 VAL 80 3HG1 VAL 80 8.193 -3.176 16.256 838 3HG1 VAL 80 1HG1 VAL 80 6.680 -3.496 15.376 839 1HG2 VAL 80 2HG2 VAL 80 8.072 -0.225 16.757 840 2HG2 VAL 80 3HG2 VAL 80 6.335 -0.133 16.383 841 3HG2 VAL 80 1HG2 VAL 80 6.987 -1.550 17.240 842 MG1 VAL 80 QG1 VAL 80 7.698 -3.357 15.374 843 MG2 VAL 80 QG2 VAL 80 7.131 -0.636 16.794 844 QG VAL 80 QQG VAL 80 7.414 -1.996 16.084 845 H GLN 81 H GLN 81 10.674 0.577 15.090 846 HA GLN 81 HA GLN 81 12.763 -1.017 14.854 847 1HB GLN 81 1HB GLN 81 12.731 1.370 15.692 848 2HB GLN 81 2HB GLN 81 12.312 0.768 17.284 849 1HG GLN 81 1HG GLN 81 14.434 -0.028 17.698 850 2HG GLN 81 2HG GLN 81 14.669 -0.571 16.048 851 1HE2 GLN 81 1HE2 GLN 81 16.539 0.316 15.502 852 2HE2 GLN 81 2HE2 GLN 81 16.913 2.006 15.504 853 QB GLN 81 QB GLN 81 12.521 1.069 16.488 854 QG GLN 81 QG GLN 81 14.551 -0.299 16.873 855 QE GLN 81 QE2 GLN 81 16.726 1.161 15.503 No H/Q in entry = 855 Start of MODEL 16 1 H MET 1 H MET 1 28.911 -26.039 9.802 2 HA MET 1 HA MET 1 26.493 -27.543 10.348 3 1HB MET 1 1HB MET 1 28.979 -26.738 11.870 4 2HB MET 1 2HB MET 1 27.516 -26.956 12.812 5 1HG MET 1 1HG MET 1 27.242 -29.256 11.856 6 2HG MET 1 2HG MET 1 28.702 -29.038 10.912 7 1HE MET 1 1HE MET 1 30.085 -30.452 11.371 8 2HE MET 1 2HE MET 1 31.364 -29.823 12.435 9 3HE MET 1 3HE MET 1 30.447 -31.272 12.908 10 QB MET 1 QB MET 1 28.247 -26.847 12.341 11 QG MET 1 QG MET 1 27.972 -29.147 11.384 12 ME MET 1 QE MET 1 30.632 -30.516 12.238 13 H ARG 2 H ARG 2 25.056 -25.811 9.537 14 HA ARG 2 HA ARG 2 24.160 -24.224 11.621 15 1HB ARG 2 1HB ARG 2 26.309 -22.966 10.636 16 2HB ARG 2 2HB ARG 2 25.195 -22.468 9.377 17 1HG ARG 2 1HG ARG 2 24.028 -21.060 10.773 18 2HG ARG 2 2HG ARG 2 24.114 -22.163 12.131 19 1HD ARG 2 1HD ARG 2 26.795 -21.335 11.715 20 2HD ARG 2 2HD ARG 2 25.842 -19.881 11.496 21 HE ARG 2 HE ARG 2 24.915 -21.295 13.828 22 1HH1 ARG 2 2HH1 ARG 2 25.441 -20.521 15.912 23 2HH1 ARG 2 1HH1 ARG 2 26.764 -19.423 16.119 24 1HH2 ARG 2 2HH2 ARG 2 27.605 -19.325 12.700 25 2HH2 ARG 2 1HH2 ARG 2 28.003 -18.739 14.280 26 QB ARG 2 QB ARG 2 25.752 -22.717 10.007 27 QG ARG 2 QG ARG 2 24.071 -21.612 11.452 28 QD ARG 2 QD ARG 2 26.319 -20.608 11.605 29 QH1 ARG 2 QH1 ARG 2 26.103 -19.972 16.016 30 QH2 ARG 2 QH2 ARG 2 27.804 -19.032 13.490 31 H SER 3 H SER 3 22.550 -22.377 10.487 32 HA SER 3 HA SER 3 21.525 -23.396 8.007 33 1HB SER 3 1HB SER 3 19.350 -23.965 8.775 34 2HB SER 3 2HB SER 3 20.434 -24.718 9.928 35 HG SER 3 HG SER 3 20.076 -22.924 11.380 36 QB SER 3 QB SER 3 19.892 -24.342 9.352 37 H LEU 4 H LEU 4 19.218 -21.985 7.699 38 HA LEU 4 HA LEU 4 19.711 -19.284 8.676 39 1HB LEU 4 1HB LEU 4 19.428 -19.979 5.749 40 2HB LEU 4 2HB LEU 4 19.455 -18.360 6.419 41 HG LEU 4 HG LEU 4 21.797 -19.818 7.286 42 1HD1 LEU 4 1HD1 LEU 4 20.971 -20.257 4.504 43 2HD1 LEU 4 2HD1 LEU 4 22.612 -19.591 4.678 44 3HD1 LEU 4 3HD1 LEU 4 22.174 -21.109 5.499 45 1HD2 LEU 4 1HD2 LEU 4 21.509 -17.363 7.262 46 2HD2 LEU 4 2HD2 LEU 4 22.964 -17.900 6.389 47 3HD2 LEU 4 3HD2 LEU 4 21.516 -17.399 5.482 48 MD1 LEU 4 QD1 LEU 4 21.919 -20.319 4.893 49 MD2 LEU 4 QD2 LEU 4 21.996 -17.554 6.378 50 QB LEU 4 QB LEU 4 19.441 -19.170 6.084 51 QD LEU 4 QQD LEU 4 21.957 -18.936 5.635 52 H GLU 5 H GLU 5 17.800 -17.915 8.576 53 HA GLU 5 HA GLU 5 15.391 -19.534 8.275 54 1HB GLU 5 1HB GLU 5 16.112 -18.693 10.640 55 2HB GLU 5 2HB GLU 5 15.603 -17.110 10.088 56 1HG GLU 5 1HG GLU 5 13.461 -17.653 10.586 57 2HG GLU 5 2HG GLU 5 13.504 -18.883 9.338 58 QB GLU 5 QB GLU 5 15.857 -17.901 10.364 59 QG GLU 5 QG GLU 5 13.483 -18.268 9.962 60 H THR 6 H THR 6 13.463 -18.424 7.442 61 HA THR 6 HA THR 6 14.223 -16.247 5.637 62 HB THR 6 HB THR 6 11.659 -17.906 5.666 63 HG1 THR 6 HG1 THR 6 14.190 -18.325 4.249 64 1HG2 THR 6 1HG2 THR 6 13.157 -16.169 3.684 65 2HG2 THR 6 2HG2 THR 6 12.239 -17.568 3.079 66 3HG2 THR 6 3HG2 THR 6 11.405 -16.277 3.976 67 MG THR 6 QG2 THR 6 12.267 -16.671 3.580 68 H PHE 7 H PHE 7 12.492 -14.548 5.225 69 HA PHE 7 HA PHE 7 10.591 -13.997 7.189 70 1HB PHE 7 1HB PHE 7 12.071 -11.862 7.944 71 2HB PHE 7 2HB PHE 7 12.239 -13.394 8.778 72 HD1 PHE 7 HD1 PHE 7 13.645 -11.672 5.771 73 HD2 PHE 7 HD2 PHE 7 14.378 -14.168 9.123 74 HE1 PHE 7 HE1 PHE 7 16.091 -11.708 5.209 75 HE2 PHE 7 HE2 PHE 7 16.824 -14.205 8.562 76 HZ PHE 7 HZ PHE 7 17.651 -12.974 6.611 77 QB PHE 7 QB PHE 7 12.155 -12.628 8.361 78 QD PHE 7 QD PHE 7 14.012 -12.920 7.447 79 QE PHE 7 QE PHE 7 16.458 -12.957 6.885 80 QR PHE 7 QR PHE 7 15.718 -12.946 7.055 81 H VAL 8 H VAL 8 9.475 -11.947 6.783 82 HA VAL 8 HA VAL 8 10.364 -10.616 4.328 83 HB VAL 8 HB VAL 8 7.461 -11.158 4.841 84 1HG1 VAL 8 3HG1 VAL 8 9.183 -10.271 2.575 85 2HG1 VAL 8 1HG1 VAL 8 7.767 -11.274 2.179 86 3HG1 VAL 8 2HG1 VAL 8 7.553 -9.740 3.058 87 1HG2 VAL 8 1HG2 VAL 8 8.611 -13.353 4.986 88 2HG2 VAL 8 2HG2 VAL 8 7.555 -13.221 3.559 89 3HG2 VAL 8 3HG2 VAL 8 9.319 -13.065 3.378 90 MG1 VAL 8 QG1 VAL 8 8.168 -10.428 2.604 91 MG2 VAL 8 QG2 VAL 8 8.495 -13.213 3.974 92 QG VAL 8 QQG VAL 8 8.331 -11.821 3.289 93 H GLY 9 H GLY 9 8.943 -8.498 4.055 94 1HA GLY 9 2HA GLY 9 9.564 -6.613 5.774 95 2HA GLY 9 1HA GLY 9 8.234 -7.345 6.649 96 QA GLY 9 QA GLY 9 8.899 -6.979 6.212 97 H ASP 10 H ASP 10 6.068 -7.158 5.873 98 HA ASP 10 HA ASP 10 5.717 -5.768 3.379 99 1HB ASP 10 1HB ASP 10 3.191 -6.062 4.286 100 2HB ASP 10 2HB ASP 10 4.048 -7.355 3.470 101 QB ASP 10 QB ASP 10 3.619 -6.708 3.878 102 H GLN 11 H GLN 11 4.148 -3.837 3.352 103 HA GLN 11 HA GLN 11 3.858 -2.517 5.889 104 1HB GLN 11 1HB GLN 11 6.048 -1.699 5.217 105 2HB GLN 11 2HB GLN 11 5.486 -1.347 3.595 106 1HG GLN 11 1HG GLN 11 3.695 0.048 5.298 107 2HG GLN 11 2HG GLN 11 5.275 0.285 6.020 108 1HE2 GLN 11 1HE2 GLN 11 7.056 0.868 4.499 109 2HE2 GLN 11 2HE2 GLN 11 6.717 2.003 3.236 110 QB GLN 11 QB GLN 11 5.767 -1.523 4.406 111 QG GLN 11 QG GLN 11 4.485 0.167 5.659 112 QE GLN 11 QE2 GLN 11 6.886 1.436 3.868 113 H VAL 12 H VAL 12 1.858 -1.564 5.976 114 HA VAL 12 HA VAL 12 0.351 -1.467 3.499 115 HB VAL 12 HB VAL 12 -0.643 -0.778 6.254 116 1HG1 VAL 12 3HG1 VAL 12 -1.812 -1.308 3.615 117 2HG1 VAL 12 1HG1 VAL 12 -2.563 -2.253 4.923 118 3HG1 VAL 12 2HG1 VAL 12 -2.501 -0.478 5.031 119 1HG2 VAL 12 3HG2 VAL 12 -0.114 -3.532 5.110 120 2HG2 VAL 12 1HG2 VAL 12 0.445 -2.850 6.656 121 3HG2 VAL 12 2HG2 VAL 12 -1.277 -3.236 6.424 122 MG1 VAL 12 QG1 VAL 12 -2.292 -1.346 4.523 123 MG2 VAL 12 QG2 VAL 12 -0.315 -3.206 6.064 124 QG VAL 12 QQG VAL 12 -1.303 -2.276 5.293 125 H LEU 13 H LEU 13 -1.279 0.556 3.471 126 HA LEU 13 HA LEU 13 -0.109 2.981 4.429 127 1HB LEU 13 1HB LEU 13 0.613 3.947 2.464 128 2HB LEU 13 2HB LEU 13 1.260 2.320 2.391 129 HG LEU 13 HG LEU 13 -1.246 2.196 1.099 130 1HD1 LEU 13 1HD1 LEU 13 -1.179 4.674 1.001 131 2HD1 LEU 13 2HD1 LEU 13 0.344 4.566 0.085 132 3HD1 LEU 13 3HD1 LEU 13 -1.156 3.900 -0.603 133 1HD2 LEU 13 2HD2 LEU 13 1.623 1.904 0.405 134 2HD2 LEU 13 3HD2 LEU 13 0.256 0.787 0.170 135 3HD2 LEU 13 1HD2 LEU 13 0.497 2.148 -0.952 136 MD1 LEU 13 QD1 LEU 13 -0.664 4.380 0.161 137 MD2 LEU 13 QD2 LEU 13 0.792 1.613 -0.126 138 QB LEU 13 QB LEU 13 0.937 3.134 2.427 139 QD LEU 13 QQD LEU 13 0.064 2.997 0.018 140 H GLU 14 H GLU 14 -1.589 4.744 4.293 141 HA GLU 14 HA GLU 14 -4.269 3.808 3.705 142 1HB GLU 14 1HB GLU 14 -4.799 6.094 4.935 143 2HB GLU 14 2HB GLU 14 -4.323 4.683 5.858 144 1HG GLU 14 1HG GLU 14 -2.158 5.503 6.275 145 2HG GLU 14 2HG GLU 14 -2.146 6.511 4.843 146 QB GLU 14 QB GLU 14 -4.561 5.388 5.396 147 QG GLU 14 QG GLU 14 -2.152 6.007 5.559 148 H ILE 15 H ILE 15 -5.304 4.457 1.866 149 HA ILE 15 HA ILE 15 -4.191 6.808 0.503 150 HB ILE 15 HB ILE 15 -5.576 4.370 -0.620 151 1HG1 ILE 15 1HG1 ILE 15 -2.815 5.129 -1.414 152 2HG1 ILE 15 2HG1 ILE 15 -3.007 4.507 0.213 153 1HG2 ILE 15 3HG2 ILE 15 -4.790 6.991 -1.851 154 2HG2 ILE 15 1HG2 ILE 15 -4.731 5.498 -2.818 155 3HG2 ILE 15 2HG2 ILE 15 -6.264 6.019 -2.078 156 1HD1 ILE 15 1HD1 ILE 15 -4.477 2.638 -0.978 157 2HD1 ILE 15 2HD1 ILE 15 -3.564 3.141 -2.422 158 3HD1 ILE 15 3HD1 ILE 15 -2.700 2.525 -0.992 159 MG ILE 15 QG2 ILE 15 -5.262 6.169 -2.249 160 MD ILE 15 QD1 ILE 15 -3.580 2.768 -1.464 161 QG ILE 15 QG1 ILE 15 -2.911 4.818 -0.600 162 H VAL 16 H VAL 16 -5.647 8.359 -0.388 163 HA VAL 16 HA VAL 16 -8.425 8.047 0.494 164 HB VAL 16 HB VAL 16 -6.745 10.543 0.800 165 1HG1 VAL 16 3HG1 VAL 16 -9.222 10.823 0.352 166 2HG1 VAL 16 1HG1 VAL 16 -9.516 9.983 1.894 167 3HG1 VAL 16 2HG1 VAL 16 -8.633 11.528 1.876 168 1HG2 VAL 16 1HG2 VAL 16 -6.986 8.220 2.502 169 2HG2 VAL 16 2HG2 VAL 16 -5.988 9.679 2.712 170 3HG2 VAL 16 3HG2 VAL 16 -7.661 9.653 3.316 171 MG1 VAL 16 QG1 VAL 16 -9.124 10.778 1.374 172 MG2 VAL 16 QG2 VAL 16 -6.878 9.184 2.843 173 QG VAL 16 QQG VAL 16 -8.001 9.981 2.109 174 HA PRO 17 HA PRO 17 -8.386 9.114 -3.834 175 1HB PRO 17 1HB PRO 17 -10.534 7.584 -4.549 176 2HB PRO 17 2HB PRO 17 -8.882 7.002 -4.605 177 1HG PRO 17 1HG PRO 17 -11.004 6.374 -2.644 178 2HG PRO 17 2HG PRO 17 -9.519 5.504 -2.969 179 1HD PRO 17 1HD PRO 17 -10.041 7.237 -0.744 180 2HD PRO 17 2HD PRO 17 -8.519 6.459 -1.131 181 QB PRO 17 QB PRO 17 -9.708 7.293 -4.577 182 QG PRO 17 QG PRO 17 -10.261 5.939 -2.806 183 QD PRO 17 QD PRO 17 -9.280 6.848 -0.938 184 H SER 18 H SER 18 -10.175 9.956 -5.376 185 HA SER 18 HA SER 18 -12.161 11.287 -3.738 186 1HB SER 18 1HB SER 18 -9.981 12.590 -5.330 187 2HB SER 18 2HB SER 18 -11.571 13.321 -5.447 188 HG SER 18 HG SER 18 -10.134 12.779 -2.987 189 QB SER 18 QB SER 18 -10.776 12.955 -5.388 190 H ASN 19 H ASN 19 -10.841 10.578 -7.033 191 HA ASN 19 HA ASN 19 -13.579 10.677 -8.011 192 1HB ASN 19 1HB ASN 19 -11.195 10.398 -9.854 193 2HB ASN 19 2HB ASN 19 -12.715 11.223 -10.142 194 1HD2 ASN 19 1HD2 ASN 19 -12.388 13.285 -10.422 195 2HD2 ASN 19 2HD2 ASN 19 -11.353 14.324 -9.499 196 QB ASN 19 QB ASN 19 -11.955 10.810 -9.998 197 QD ASN 19 QD2 ASN 19 -11.871 13.804 -9.960 198 H GLU 20 H GLU 20 -13.035 9.079 -10.403 199 HA GLU 20 HA GLU 20 -12.800 6.489 -9.115 200 1HB GLU 20 1HB GLU 20 -14.054 7.386 -11.737 201 2HB GLU 20 2HB GLU 20 -13.834 5.694 -11.341 202 1HG GLU 20 1HG GLU 20 -16.033 6.148 -10.588 203 2HG GLU 20 2HG GLU 20 -15.081 6.221 -9.118 204 QB GLU 20 QB GLU 20 -13.944 6.540 -11.539 205 QG GLU 20 QG GLU 20 -15.557 6.184 -9.853 206 H GLU 21 H GLU 21 -11.176 8.701 -11.268 207 HA GLU 21 HA GLU 21 -9.803 6.881 -12.837 208 1HB GLU 21 1HB GLU 21 -9.724 9.103 -13.593 209 2HB GLU 21 2HB GLU 21 -9.366 9.747 -12.005 210 1HG GLU 21 1HG GLU 21 -7.299 7.876 -13.041 211 2HG GLU 21 2HG GLU 21 -7.494 9.325 -14.007 212 QB GLU 21 QB GLU 21 -9.545 9.425 -12.799 213 QG GLU 21 QG GLU 21 -7.396 8.601 -13.524 214 H GLN 22 H GLN 22 -8.751 8.628 -9.822 215 HA GLN 22 HA GLN 22 -6.324 7.340 -9.626 216 1HB GLN 22 1HB GLN 22 -8.013 8.354 -7.301 217 2HB GLN 22 2HB GLN 22 -6.269 8.181 -7.333 218 1HG GLN 22 1HG GLN 22 -6.187 10.345 -8.023 219 2HG GLN 22 2HG GLN 22 -6.761 9.775 -9.577 220 1HE2 GLN 22 1HE2 GLN 22 -7.761 10.961 -6.410 221 2HE2 GLN 22 2HE2 GLN 22 -9.279 11.648 -6.884 222 QB GLN 22 QB GLN 22 -7.141 8.268 -7.317 223 QG GLN 22 QG GLN 22 -6.474 10.060 -8.800 224 QE GLN 22 QE2 GLN 22 -8.520 11.305 -6.647 225 H ILE 23 H ILE 23 -9.603 6.419 -8.514 226 HA ILE 23 HA ILE 23 -8.707 4.242 -6.930 227 HB ILE 23 HB ILE 23 -11.332 5.233 -7.965 228 1HG1 ILE 23 1HG1 ILE 23 -10.407 4.620 -5.147 229 2HG1 ILE 23 2HG1 ILE 23 -10.175 6.175 -5.921 230 1HG2 ILE 23 1HG2 ILE 23 -11.381 2.773 -8.231 231 2HG2 ILE 23 2HG2 ILE 23 -10.978 2.601 -6.505 232 3HG2 ILE 23 3HG2 ILE 23 -12.511 3.364 -6.989 233 1HD1 ILE 23 2HD1 ILE 23 -12.946 5.114 -6.131 234 2HD1 ILE 23 3HD1 ILE 23 -12.410 5.486 -4.476 235 3HD1 ILE 23 1HD1 ILE 23 -12.382 6.753 -5.725 236 MG ILE 23 QG2 ILE 23 -11.624 2.913 -7.242 237 MD ILE 23 QD1 ILE 23 -12.580 5.784 -5.444 238 QG ILE 23 QG1 ILE 23 -10.291 5.397 -5.534 239 H LYS 24 H LYS 24 -9.849 4.658 -10.321 240 HA LYS 24 HA LYS 24 -9.889 1.910 -10.906 241 1HB LYS 24 1HB LYS 24 -11.132 3.134 -12.394 242 2HB LYS 24 2HB LYS 24 -9.995 4.467 -12.442 243 1HG LYS 24 1HG LYS 24 -8.388 3.034 -13.736 244 2HG LYS 24 2HG LYS 24 -9.547 1.721 -13.707 245 1HD LYS 24 1HD LYS 24 -10.912 4.087 -14.653 246 2HD LYS 24 2HD LYS 24 -9.410 3.940 -15.544 247 1HE LYS 24 1HE LYS 24 -10.202 1.339 -15.649 248 2HE LYS 24 2HE LYS 24 -11.777 2.090 -15.493 249 1HZ LYS 24 3HZ LYS 24 -9.976 3.291 -17.397 250 2HZ LYS 24 1HZ LYS 24 -10.559 1.817 -17.788 251 3HZ LYS 24 2HZ LYS 24 -11.588 3.052 -17.496 252 QB LYS 24 QB LYS 24 -10.564 3.800 -12.418 253 QD LYS 24 QD LYS 24 -10.161 4.013 -15.098 254 QG LYS 24 QG LYS 24 -8.968 2.378 -13.721 255 QE LYS 24 QE LYS 24 -10.990 1.715 -15.571 256 QZ LYS 24 QZ LYS 24 -10.707 2.720 -17.561 257 H ASN 25 H ASN 25 -7.315 4.149 -10.326 258 HA ASN 25 HA ASN 25 -5.441 2.920 -12.036 259 1HB ASN 25 1HB ASN 25 -5.468 5.302 -10.786 260 2HB ASN 25 2HB ASN 25 -4.635 4.415 -9.524 261 1HD2 ASN 25 1HD2 ASN 25 -4.604 5.158 -12.983 262 2HD2 ASN 25 2HD2 ASN 25 -2.892 5.066 -13.223 263 QB ASN 25 QB ASN 25 -5.052 4.858 -10.155 264 QD ASN 25 QD2 ASN 25 -3.748 5.112 -13.103 265 H LEU 26 H LEU 26 -5.982 2.989 -8.428 266 HA LEU 26 HA LEU 26 -4.032 1.186 -7.720 267 1HB LEU 26 1HB LEU 26 -5.727 2.706 -6.378 268 2HB LEU 26 2HB LEU 26 -6.647 1.218 -6.280 269 HG LEU 26 HG LEU 26 -4.489 0.144 -5.367 270 1HD1 LEU 26 2HD1 LEU 26 -3.724 3.032 -5.436 271 2HD1 LEU 26 3HD1 LEU 26 -3.196 2.044 -4.053 272 3HD1 LEU 26 1HD1 LEU 26 -2.740 1.573 -5.708 273 1HD2 LEU 26 3HD2 LEU 26 -6.570 0.700 -4.077 274 2HD2 LEU 26 1HD2 LEU 26 -5.068 0.698 -3.122 275 3HD2 LEU 26 2HD2 LEU 26 -5.802 2.240 -3.623 276 MD1 LEU 26 QD1 LEU 26 -3.220 2.216 -5.066 277 MD2 LEU 26 QD2 LEU 26 -5.813 1.213 -3.607 278 QB LEU 26 QB LEU 26 -6.187 1.962 -6.329 279 QD LEU 26 QQD LEU 26 -4.517 1.715 -4.336 280 H LEU 27 H LEU 27 -7.559 0.481 -8.267 281 HA LEU 27 HA LEU 27 -7.515 -2.197 -7.986 282 1HB LEU 27 1HB LEU 27 -9.079 -0.297 -9.647 283 2HB LEU 27 2HB LEU 27 -9.228 -1.999 -10.039 284 HG LEU 27 HG LEU 27 -9.479 -1.518 -7.169 285 1HD1 LEU 27 2HD1 LEU 27 -10.873 0.309 -8.977 286 2HD1 LEU 27 3HD1 LEU 27 -11.974 -0.603 -7.917 287 3HD1 LEU 27 1HD1 LEU 27 -10.662 0.373 -7.211 288 1HD2 LEU 27 1HD2 LEU 27 -10.732 -3.111 -9.312 289 2HD2 LEU 27 2HD2 LEU 27 -10.337 -3.542 -7.631 290 3HD2 LEU 27 3HD2 LEU 27 -11.823 -2.628 -7.990 291 MD1 LEU 27 QD1 LEU 27 -11.170 0.026 -8.035 292 MD2 LEU 27 QD2 LEU 27 -10.964 -3.094 -8.311 293 QB LEU 27 QB LEU 27 -9.154 -1.148 -9.843 294 QD LEU 27 QQD LEU 27 -11.067 -1.534 -8.173 295 H GLN 28 H GLN 28 -6.681 -0.369 -11.007 296 HA GLN 28 HA GLN 28 -6.153 -2.571 -12.545 297 1HB GLN 28 1HB GLN 28 -6.200 0.059 -13.033 298 2HB GLN 28 2HB GLN 28 -4.464 -0.092 -12.849 299 1HG GLN 28 1HG GLN 28 -5.386 -2.284 -14.497 300 2HG GLN 28 2HG GLN 28 -6.079 -0.801 -15.125 301 1HE2 GLN 28 1HE2 GLN 28 -4.507 1.101 -15.169 302 2HE2 GLN 28 2HE2 GLN 28 -2.927 0.795 -15.810 303 QB GLN 28 QB GLN 28 -5.332 -0.017 -12.941 304 QG GLN 28 QG GLN 28 -5.733 -1.542 -14.811 305 QE GLN 28 QE2 GLN 28 -3.717 0.948 -15.490 306 H LEU 29 H LEU 29 -4.119 -0.862 -10.139 307 HA LEU 29 HA LEU 29 -1.721 -2.182 -10.825 308 1HB LEU 29 1HB LEU 29 -1.466 -0.178 -9.706 309 2HB LEU 29 2HB LEU 29 -2.704 -0.546 -8.522 310 HG LEU 29 HG LEU 29 -1.086 -2.378 -7.675 311 1HD1 LEU 29 1HD1 LEU 29 0.755 -0.750 -9.431 312 2HD1 LEU 29 2HD1 LEU 29 1.338 -1.707 -8.049 313 3HD1 LEU 29 3HD1 LEU 29 0.512 -2.512 -9.404 314 1HD2 LEU 29 1HD2 LEU 29 -0.868 0.583 -7.285 315 2HD2 LEU 29 2HD2 LEU 29 -1.440 -0.681 -6.171 316 3HD2 LEU 29 3HD2 LEU 29 0.302 -0.491 -6.483 317 MD1 LEU 29 QD1 LEU 29 0.869 -1.656 -8.961 318 MD2 LEU 29 QD2 LEU 29 -0.669 -0.196 -6.646 319 QB LEU 29 QB LEU 29 -2.085 -0.362 -9.114 320 QD LEU 29 QQD LEU 29 0.100 -0.926 -7.804 321 H GLU 30 H GLU 30 -3.908 -2.621 -7.949 322 HA GLU 30 HA GLU 30 -2.714 -4.914 -7.078 323 1HB GLU 30 1HB GLU 30 -4.624 -3.373 -6.070 324 2HB GLU 30 2HB GLU 30 -5.702 -4.539 -6.811 325 1HG GLU 30 1HG GLU 30 -3.711 -6.097 -5.510 326 2HG GLU 30 2HG GLU 30 -4.084 -4.805 -4.387 327 QB GLU 30 QB GLU 30 -5.163 -3.956 -6.440 328 QG GLU 30 QG GLU 30 -3.898 -5.451 -4.949 329 H ALA 31 H ALA 31 -5.393 -4.468 -9.454 330 HA ALA 31 HA ALA 31 -6.213 -7.035 -9.788 331 1HB ALA 31 2HB ALA 31 -6.771 -6.328 -12.110 332 2HB ALA 31 3HB ALA 31 -7.216 -5.098 -10.902 333 3HB ALA 31 1HB ALA 31 -5.753 -4.883 -11.893 334 MB ALA 31 QB ALA 31 -6.580 -5.436 -11.635 335 H GLN 32 H GLN 32 -3.238 -5.452 -11.049 336 HA GLN 32 HA GLN 32 -2.512 -7.611 -12.669 337 1HB GLN 32 1HB GLN 32 -1.004 -5.254 -11.493 338 2HB GLN 32 2HB GLN 32 -0.172 -6.469 -12.443 339 1HG GLN 32 1HG GLN 32 -2.613 -4.904 -13.406 340 2HG GLN 32 2HG GLN 32 -0.957 -4.496 -13.806 341 1HE2 GLN 32 1HE2 GLN 32 -2.365 -4.838 -15.905 342 2HE2 GLN 32 2HE2 GLN 32 -2.154 -6.371 -16.684 343 QB GLN 32 QB GLN 32 -0.588 -5.862 -11.968 344 QG GLN 32 QG GLN 32 -1.785 -4.700 -13.606 345 QE GLN 32 QE2 GLN 32 -2.260 -5.604 -16.294 346 H GLU 33 H GLU 33 -3.104 -9.306 -10.944 347 HA GLU 33 HA GLU 33 -1.762 -9.636 -8.625 348 1HB GLU 33 1HB GLU 33 -2.355 -11.999 -8.777 349 2HB GLU 33 2HB GLU 33 -3.664 -11.037 -9.434 350 1HG GLU 33 1HG GLU 33 -2.307 -11.406 -11.734 351 2HG GLU 33 2HG GLU 33 -1.701 -12.811 -10.879 352 QB GLU 33 QB GLU 33 -3.009 -11.518 -9.106 353 QG GLU 33 QG GLU 33 -2.004 -12.108 -11.306 354 H HIS 34 H HIS 34 0.447 -9.078 -8.639 355 HA HIS 34 HA HIS 34 2.180 -11.139 -9.558 356 1HB HIS 34 1HB HIS 34 2.324 -8.420 -10.889 357 2HB HIS 34 2HB HIS 34 3.582 -9.638 -10.979 358 HD1 HIS 34 HD1 HIS 34 2.390 -12.157 -11.811 359 HD2 HIS 34 HD2 HIS 34 0.764 -8.516 -13.112 360 HE1 HIS 34 HE1 HIS 34 1.044 -12.685 -13.913 361 HE2 HIS 34 HE2 HIS 34 0.024 -10.420 -14.635 362 QB HIS 34 QB HIS 34 2.953 -9.029 -10.934 363 H LEU 35 H LEU 35 1.772 -7.760 -8.358 364 HA LEU 35 HA LEU 35 4.270 -7.722 -7.029 365 1HB LEU 35 1HB LEU 35 1.782 -6.039 -6.707 366 2HB LEU 35 2HB LEU 35 3.314 -5.711 -5.921 367 HG LEU 35 HG LEU 35 2.913 -5.806 -8.924 368 1HD1 LEU 35 1HD1 LEU 35 2.435 -3.679 -6.956 369 2HD1 LEU 35 2HD1 LEU 35 3.503 -3.202 -8.298 370 3HD1 LEU 35 3HD1 LEU 35 1.877 -3.843 -8.639 371 1HD2 LEU 35 2HD2 LEU 35 5.268 -5.926 -7.350 372 2HD2 LEU 35 3HD2 LEU 35 5.119 -5.760 -9.116 373 3HD2 LEU 35 1HD2 LEU 35 5.207 -4.309 -8.089 374 MD1 LEU 35 QD1 LEU 35 2.605 -3.575 -7.964 375 MD2 LEU 35 QD2 LEU 35 5.198 -5.331 -8.185 376 QB LEU 35 QB LEU 35 2.548 -5.875 -6.314 377 QD LEU 35 QQD LEU 35 3.901 -4.453 -8.075 378 H GLN 36 H GLN 36 1.226 -7.174 -5.230 379 HA GLN 36 HA GLN 36 0.769 -9.395 -3.940 380 1HB GLN 36 1HB GLN 36 3.443 -8.401 -3.084 381 2HB GLN 36 2HB GLN 36 2.370 -8.842 -1.771 382 1HG GLN 36 1HG GLN 36 2.216 -10.850 -3.881 383 2HG GLN 36 2HG GLN 36 3.890 -10.594 -3.431 384 1HE2 GLN 36 1HE2 GLN 36 0.655 -11.225 -2.157 385 2HE2 GLN 36 2HE2 GLN 36 1.130 -12.101 -0.741 386 QB GLN 36 QB GLN 36 2.906 -8.621 -2.427 387 QG GLN 36 QG GLN 36 3.053 -10.722 -3.656 388 QE GLN 36 QE2 GLN 36 0.892 -11.663 -1.449 389 H LEU 37 H LEU 37 -0.600 -7.090 -4.533 390 HA LEU 37 HA LEU 37 -0.825 -5.589 -2.047 391 1HB LEU 37 1HB LEU 37 -2.139 -5.139 -4.730 392 2HB LEU 37 2HB LEU 37 -2.209 -4.067 -3.345 393 HG LEU 37 HG LEU 37 0.547 -4.541 -3.934 394 1HD1 LEU 37 2HD1 LEU 37 -1.150 -3.901 -6.353 395 2HD1 LEU 37 3HD1 LEU 37 0.579 -3.495 -6.238 396 3HD1 LEU 37 1HD1 LEU 37 0.057 -5.195 -6.155 397 1HD2 LEU 37 3HD2 LEU 37 -1.307 -2.164 -4.047 398 2HD2 LEU 37 1HD2 LEU 37 -0.059 -2.561 -2.840 399 3HD2 LEU 37 2HD2 LEU 37 0.418 -2.039 -4.474 400 MD1 LEU 37 QD1 LEU 37 -0.171 -4.197 -6.249 401 MD2 LEU 37 QD2 LEU 37 -0.316 -2.255 -3.787 402 QB LEU 37 QB LEU 37 -2.174 -4.603 -4.037 403 QD LEU 37 QQD LEU 37 -0.243 -3.226 -5.018 404 H ASP 38 H ASP 38 -3.121 -5.106 -1.273 405 HA ASP 38 HA ASP 38 -5.132 -6.924 -1.999 406 1HB ASP 38 1HB ASP 38 -3.626 -8.402 -0.597 407 2HB ASP 38 2HB ASP 38 -3.855 -7.304 0.750 408 QB ASP 38 QB ASP 38 -3.741 -7.853 0.077 409 H PHE 39 H PHE 39 -6.714 -5.300 -1.924 410 HA PHE 39 HA PHE 39 -6.594 -3.114 -0.191 411 1HB PHE 39 1HB PHE 39 -9.031 -4.428 -1.529 412 2HB PHE 39 2HB PHE 39 -8.884 -2.735 -1.102 413 HD1 PHE 39 HD1 PHE 39 -8.794 -4.931 -3.757 414 HD2 PHE 39 HD2 PHE 39 -6.663 -1.610 -2.197 415 HE1 PHE 39 HE1 PHE 39 -7.894 -4.433 -6.047 416 HE2 PHE 39 HE2 PHE 39 -5.763 -1.111 -4.487 417 HZ PHE 39 HZ PHE 39 -6.389 -2.530 -6.384 418 QB PHE 39 QB PHE 39 -8.958 -3.581 -1.316 419 QD PHE 39 QD PHE 39 -7.729 -3.270 -2.977 420 QE PHE 39 QE PHE 39 -6.828 -2.772 -5.267 421 QR PHE 39 QR PHE 39 -7.101 -2.923 -4.575 422 H TRP 40 H TRP 40 -7.024 -2.965 1.956 423 HA TRP 40 HA TRP 40 -8.205 -5.200 3.304 424 1HB TRP 40 1HB TRP 40 -7.024 -2.570 4.139 425 2HB TRP 40 2HB TRP 40 -7.956 -3.523 5.278 426 HD1 TRP 40 HD1 TRP 40 -5.723 -5.412 2.794 427 HE1 TRP 40 HE1 TRP 40 -3.683 -6.564 4.008 428 HE3 TRP 40 HE3 TRP 40 -6.487 -3.202 7.308 429 HZ2 TRP 40 HZ2 TRP 40 -2.642 -6.424 6.661 430 HZ3 TRP 40 HZ3 TRP 40 -4.913 -3.763 9.158 431 HH2 TRP 40 HH2 TRP 40 -3.043 -5.314 8.890 432 QB TRP 40 QB TRP 40 -7.490 -3.046 4.709 433 H LYS 41 H LYS 41 -9.082 -1.840 2.342 434 HA LYS 41 HA LYS 41 -11.795 -2.375 3.323 435 1HB LYS 41 1HB LYS 41 -10.097 0.070 3.192 436 2HB LYS 41 2HB LYS 41 -11.806 0.278 2.873 437 1HG LYS 41 1HG LYS 41 -11.718 -1.453 5.110 438 2HG LYS 41 2HG LYS 41 -10.449 -0.283 5.415 439 1HD LYS 41 1HD LYS 41 -12.637 1.238 4.422 440 2HD LYS 41 2HD LYS 41 -13.350 0.076 5.525 441 1HE LYS 41 1HE LYS 41 -11.310 0.800 7.104 442 2HE LYS 41 2HE LYS 41 -11.313 2.237 6.100 443 1HZ LYS 41 1HZ LYS 41 -13.917 1.861 6.668 444 2HZ LYS 41 2HZ LYS 41 -13.192 1.426 8.065 445 3HZ LYS 41 3HZ LYS 41 -12.925 2.908 7.435 446 QB LYS 41 QB LYS 41 -10.951 0.174 3.032 447 QD LYS 41 QD LYS 41 -12.993 0.657 4.973 448 QG LYS 41 QG LYS 41 -11.083 -0.868 5.262 449 QE LYS 41 QE LYS 41 -11.312 1.518 6.602 450 QZ LYS 41 QZ LYS 41 -13.344 2.065 7.389 451 H SER 42 H SER 42 -13.181 -0.476 1.790 452 HA SER 42 HA SER 42 -12.788 -1.616 -0.865 453 1HB SER 42 1HB SER 42 -15.303 -0.983 -1.115 454 2HB SER 42 2HB SER 42 -14.895 -2.394 -0.160 455 HG SER 42 HG SER 42 -15.422 -1.359 1.709 456 QB SER 42 QB SER 42 -15.099 -1.688 -0.637 457 HA PRO 43 HA PRO 43 -12.005 2.754 -1.455 458 1HB PRO 43 1HB PRO 43 -10.163 2.478 -3.456 459 2HB PRO 43 2HB PRO 43 -9.732 2.537 -1.758 460 1HG PRO 43 1HG PRO 43 -9.815 0.201 -3.568 461 2HG PRO 43 2HG PRO 43 -9.000 0.367 -2.026 462 1HD PRO 43 1HD PRO 43 -11.452 -1.034 -2.529 463 2HD PRO 43 2HD PRO 43 -10.696 -0.771 -0.971 464 QB PRO 43 QB PRO 43 -9.948 2.507 -2.607 465 QG PRO 43 QG PRO 43 -9.407 0.284 -2.797 466 QD PRO 43 QD PRO 43 -11.074 -0.902 -1.750 467 H THR 44 H THR 44 -13.580 0.441 -3.136 468 HA THR 44 HA THR 44 -13.914 1.250 -5.667 469 HB THR 44 HB THR 44 -15.746 0.166 -3.524 470 HG1 THR 44 HG1 THR 44 -14.544 -1.379 -4.643 471 1HG2 THR 44 1HG2 THR 44 -16.632 1.496 -6.044 472 2HG2 THR 44 2HG2 THR 44 -17.187 -0.186 -5.860 473 3HG2 THR 44 3HG2 THR 44 -17.591 1.026 -4.620 474 MG THR 44 QG2 THR 44 -17.137 0.778 -5.508 475 H THR 45 H THR 45 -15.839 2.679 -2.937 476 HA THR 45 HA THR 45 -16.522 4.893 -4.699 477 HB THR 45 HB THR 45 -18.228 5.328 -3.063 478 HG1 THR 45 HG1 THR 45 -17.913 4.268 -0.906 479 1HG2 THR 45 2HG2 THR 45 -18.346 2.940 -4.174 480 2HG2 THR 45 3HG2 THR 45 -17.814 2.352 -2.580 481 3HG2 THR 45 1HG2 THR 45 -19.345 3.247 -2.732 482 MG THR 45 QG2 THR 45 -18.502 2.846 -3.162 483 HA PRO 46 HA PRO 46 -13.674 7.640 -3.048 484 1HB PRO 46 1HB PRO 46 -14.939 10.042 -3.361 485 2HB PRO 46 2HB PRO 46 -14.127 9.209 -4.672 486 1HG PRO 46 1HG PRO 46 -17.026 9.464 -4.152 487 2HG PRO 46 2HG PRO 46 -16.212 9.020 -5.638 488 1HD PRO 46 1HD PRO 46 -17.555 7.251 -3.824 489 2HD PRO 46 2HD PRO 46 -16.643 6.795 -5.248 490 QB PRO 46 QB PRO 46 -14.533 9.626 -4.016 491 QG PRO 46 QG PRO 46 -16.619 9.242 -4.895 492 QD PRO 46 QD PRO 46 -17.099 7.023 -4.536 493 H GLY 47 H GLY 47 -12.972 8.950 -1.286 494 1HA GLY 47 2HA GLY 47 -14.960 9.535 0.735 495 2HA GLY 47 1HA GLY 47 -13.246 9.899 0.774 496 QA GLY 47 QA GLY 47 -14.103 9.717 0.754 497 H GLU 48 H GLU 48 -13.510 6.686 -0.223 498 HA GLU 48 HA GLU 48 -13.635 5.705 2.506 499 1HB GLU 48 1HB GLU 48 -13.708 4.170 -0.129 500 2HB GLU 48 2HB GLU 48 -13.919 3.466 1.462 501 1HG GLU 48 1HG GLU 48 -15.842 5.299 1.696 502 2HG GLU 48 2HG GLU 48 -15.779 5.309 -0.056 503 QB GLU 48 QB GLU 48 -13.813 3.818 0.666 504 QG GLU 48 QG GLU 48 -15.810 5.304 0.820 505 H THR 49 H THR 49 -11.654 5.737 3.500 506 HA THR 49 HA THR 49 -9.216 5.769 2.143 507 HB THR 49 HB THR 49 -8.402 5.130 4.541 508 HG1 THR 49 HG1 THR 49 -10.111 4.782 5.983 509 1HG2 THR 49 1HG2 THR 49 -9.268 7.563 3.560 510 2HG2 THR 49 2HG2 THR 49 -10.397 7.324 4.915 511 3HG2 THR 49 3HG2 THR 49 -8.642 7.331 5.210 512 MG THR 49 QG2 THR 49 -9.436 7.406 4.561 513 H ALA 50 H ALA 50 -7.692 4.244 1.584 514 HA ALA 50 HA ALA 50 -8.673 1.475 1.731 515 1HB ALA 50 2HB ALA 50 -8.499 1.573 -0.515 516 2HB ALA 50 3HB ALA 50 -7.658 3.141 -0.452 517 3HB ALA 50 1HB ALA 50 -6.735 1.629 -0.282 518 MB ALA 50 QB ALA 50 -7.631 2.114 -0.416 519 H HIS 51 H HIS 51 -6.992 -0.202 1.992 520 HA HIS 51 HA HIS 51 -4.433 0.755 2.925 521 1HB HIS 51 1HB HIS 51 -5.862 -1.094 4.791 522 2HB HIS 51 2HB HIS 51 -4.560 0.035 5.110 523 HD1 HIS 51 HD1 HIS 51 -8.069 -0.379 5.701 524 HD2 HIS 51 HD2 HIS 51 -5.605 2.896 4.807 525 HE1 HIS 51 HE1 HIS 51 -9.362 1.703 6.412 526 HE2 HIS 51 HE2 HIS 51 -7.776 3.679 5.887 527 QB HIS 51 QB HIS 51 -5.211 -0.529 4.950 528 H VAL 52 H VAL 52 -3.336 -0.360 1.327 529 HA VAL 52 HA VAL 52 -3.941 -3.221 1.106 530 HB VAL 52 HB VAL 52 -2.567 -2.957 -1.025 531 1HG1 VAL 52 2HG1 VAL 52 -5.280 -1.680 -0.625 532 2HG1 VAL 52 3HG1 VAL 52 -4.541 -1.862 -2.234 533 3HG1 VAL 52 1HG1 VAL 52 -4.893 -3.301 -1.248 534 1HG2 VAL 52 2HG2 VAL 52 -1.574 -0.751 -0.378 535 2HG2 VAL 52 3HG2 VAL 52 -2.343 -0.756 -1.983 536 3HG2 VAL 52 1HG2 VAL 52 -3.180 -0.015 -0.599 537 MG1 VAL 52 QG1 VAL 52 -4.905 -2.281 -1.369 538 MG2 VAL 52 QG2 VAL 52 -2.366 -0.507 -0.987 539 QG VAL 52 QQG VAL 52 -3.635 -1.394 -1.178 540 H ARG 53 H ARG 53 -2.460 -4.720 1.766 541 HA ARG 53 HA ARG 53 -0.178 -3.693 3.118 542 1HB ARG 53 1HB ARG 53 -1.581 -5.615 3.981 543 2HB ARG 53 2HB ARG 53 -1.034 -6.592 2.633 544 1HG ARG 53 1HG ARG 53 1.381 -6.079 3.442 545 2HG ARG 53 2HG ARG 53 0.647 -5.461 4.909 546 1HD ARG 53 1HD ARG 53 1.189 -7.772 5.346 547 2HD ARG 53 2HD ARG 53 -0.552 -7.706 5.160 548 HE ARG 53 HE ARG 53 0.572 -8.202 2.588 549 1HH1 ARG 53 2HH1 ARG 53 0.605 -10.305 1.695 550 2HH1 ARG 53 1HH1 ARG 53 0.472 -11.687 2.731 551 1HH2 ARG 53 2HH2 ARG 53 0.234 -9.807 5.701 552 2HH2 ARG 53 1HH2 ARG 53 0.259 -11.402 5.024 553 QB ARG 53 QB ARG 53 -1.308 -6.104 3.307 554 QG ARG 53 QG ARG 53 1.014 -5.770 4.175 555 QD ARG 53 QD ARG 53 0.319 -7.739 5.253 556 QH1 ARG 53 QH1 ARG 53 0.539 -10.996 2.213 557 QH2 ARG 53 QH2 ARG 53 0.246 -10.604 5.363 558 H VAL 54 H VAL 54 1.167 -2.846 1.403 559 HA VAL 54 HA VAL 54 2.008 -4.750 -0.635 560 HB VAL 54 HB VAL 54 1.292 -2.213 -0.882 561 1HG1 VAL 54 3HG1 VAL 54 3.341 -1.694 0.718 562 2HG1 VAL 54 1HG1 VAL 54 4.255 -1.772 -0.808 563 3HG1 VAL 54 2HG1 VAL 54 2.920 -0.608 -0.629 564 1HG2 VAL 54 1HG2 VAL 54 2.327 -4.050 -2.539 565 2HG2 VAL 54 2HG2 VAL 54 2.063 -2.357 -3.025 566 3HG2 VAL 54 3HG2 VAL 54 3.684 -2.897 -2.526 567 MG1 VAL 54 QG1 VAL 54 3.505 -1.358 -0.240 568 MG2 VAL 54 QG2 VAL 54 2.691 -3.101 -2.697 569 QG VAL 54 QQG VAL 54 3.098 -2.230 -1.468 570 HA PRO 55 HA PRO 55 5.733 -5.532 1.416 571 1HB PRO 55 1HB PRO 55 7.265 -6.462 -0.647 572 2HB PRO 55 2HB PRO 55 6.084 -7.450 0.191 573 1HG PRO 55 1HG PRO 55 5.905 -6.220 -2.491 574 2HG PRO 55 2HG PRO 55 4.954 -7.529 -1.818 575 1HD PRO 55 1HD PRO 55 4.129 -4.802 -2.148 576 2HD PRO 55 2HD PRO 55 3.223 -6.085 -1.370 577 QB PRO 55 QB PRO 55 6.675 -6.956 -0.228 578 QG PRO 55 QG PRO 55 5.430 -6.875 -2.155 579 QD PRO 55 QD PRO 55 3.676 -5.444 -1.759 580 H PHE 56 H PHE 56 7.488 -4.487 2.204 581 HA PHE 56 HA PHE 56 7.916 -1.912 1.447 582 1HB PHE 56 1HB PHE 56 8.788 -3.500 3.415 583 2HB PHE 56 2HB PHE 56 10.146 -3.804 2.349 584 HD1 PHE 56 HD1 PHE 56 8.420 -1.244 4.344 585 HD2 PHE 56 HD2 PHE 56 11.835 -2.136 1.988 586 HE1 PHE 56 HE1 PHE 56 9.544 0.838 5.184 587 HE2 PHE 56 HE2 PHE 56 12.958 -0.054 2.828 588 HZ PHE 56 HZ PHE 56 11.799 1.408 4.415 589 QB PHE 56 QB PHE 56 9.467 -3.652 2.882 590 QD PHE 56 QD PHE 56 10.127 -1.690 3.166 591 QE PHE 56 QE PHE 56 11.251 0.392 4.006 592 QR PHE 56 QR PHE 56 10.911 -0.237 3.752 593 H VAL 57 H VAL 57 9.452 -4.902 0.155 594 HA VAL 57 HA VAL 57 11.390 -3.553 -1.378 595 HB VAL 57 HB VAL 57 11.787 -5.794 -0.841 596 1HG1 VAL 57 3HG1 VAL 57 8.951 -6.244 -1.723 597 2HG1 VAL 57 1HG1 VAL 57 10.114 -7.590 -1.798 598 3HG1 VAL 57 2HG1 VAL 57 9.787 -6.782 -0.246 599 1HG2 VAL 57 1HG2 VAL 57 12.026 -4.967 -3.378 600 2HG2 VAL 57 2HG2 VAL 57 12.475 -6.609 -2.858 601 3HG2 VAL 57 3HG2 VAL 57 10.902 -6.322 -3.641 602 MG1 VAL 57 QG1 VAL 57 9.617 -6.872 -1.255 603 MG2 VAL 57 QG2 VAL 57 11.801 -5.966 -3.292 604 QG VAL 57 QQG VAL 57 10.709 -6.419 -2.274 605 H ASN 58 H ASN 58 7.952 -3.914 -1.674 606 HA ASN 58 HA ASN 58 8.183 -3.078 -4.459 607 1HB ASN 58 1HB ASN 58 7.002 -5.347 -3.892 608 2HB ASN 58 2HB ASN 58 5.715 -4.372 -3.208 609 1HD2 ASN 58 1HD2 ASN 58 4.242 -3.458 -4.480 610 2HD2 ASN 58 2HD2 ASN 58 4.228 -3.494 -6.211 611 QB ASN 58 QB ASN 58 6.359 -4.859 -3.550 612 QD ASN 58 QD2 ASN 58 4.235 -3.476 -5.345 613 H VAL 59 H VAL 59 7.991 -1.762 -1.556 614 HA VAL 59 HA VAL 59 5.480 -0.401 -1.616 615 HB VAL 59 HB VAL 59 7.914 -0.494 0.082 616 1HG1 VAL 59 1HG1 VAL 59 6.289 1.970 -0.332 617 2HG1 VAL 59 2HG1 VAL 59 6.680 1.528 1.349 618 3HG1 VAL 59 3HG1 VAL 59 7.987 1.783 0.167 619 1HG2 VAL 59 2HG2 VAL 59 5.864 -1.866 0.486 620 2HG2 VAL 59 3HG2 VAL 59 6.305 -0.817 1.854 621 3HG2 VAL 59 1HG2 VAL 59 4.961 -0.361 0.780 622 MG1 VAL 59 QG1 VAL 59 6.985 1.760 0.395 623 MG2 VAL 59 QG2 VAL 59 5.710 -1.015 1.040 624 QG VAL 59 QQG VAL 59 6.348 0.373 0.717 625 H GLN 60 H GLN 60 8.753 0.101 -2.880 626 HA GLN 60 HA GLN 60 8.507 2.862 -3.238 627 1HB GLN 60 1HB GLN 60 10.618 1.317 -3.290 628 2HB GLN 60 2HB GLN 60 10.218 1.056 -4.976 629 1HG GLN 60 1HG GLN 60 10.055 3.726 -5.028 630 2HG GLN 60 2HG GLN 60 11.067 3.612 -3.602 631 1HE2 GLN 60 1HE2 GLN 60 10.835 3.231 -7.016 632 2HE2 GLN 60 2HE2 GLN 60 12.495 2.877 -7.362 633 QB GLN 60 QB GLN 60 10.418 1.186 -4.133 634 QG GLN 60 QG GLN 60 10.561 3.669 -4.315 635 QE GLN 60 QE2 GLN 60 11.665 3.054 -7.189 636 H ALA 61 H ALA 61 8.525 0.238 -5.768 637 HA ALA 61 HA ALA 61 7.681 1.679 -7.882 638 1HB ALA 61 2HB ALA 61 7.055 -0.390 -8.851 639 2HB ALA 61 3HB ALA 61 8.296 -0.819 -7.649 640 3HB ALA 61 1HB ALA 61 6.574 -1.078 -7.281 641 MB ALA 61 QB ALA 61 7.309 -0.762 -7.927 642 H VAL 62 H VAL 62 5.729 0.503 -5.118 643 HA VAL 62 HA VAL 62 3.250 1.233 -6.319 644 HB VAL 62 HB VAL 62 4.124 0.459 -3.539 645 1HG1 VAL 62 2HG1 VAL 62 1.739 1.873 -4.284 646 2HG1 VAL 62 3HG1 VAL 62 1.302 0.221 -3.785 647 3HG1 VAL 62 1HG1 VAL 62 2.231 1.268 -2.684 648 1HG2 VAL 62 2HG2 VAL 62 3.749 -1.080 -5.775 649 2HG2 VAL 62 3HG2 VAL 62 3.596 -1.660 -4.098 650 3HG2 VAL 62 1HG2 VAL 62 2.146 -1.166 -5.006 651 MG1 VAL 62 QG1 VAL 62 1.757 1.121 -3.584 652 MG2 VAL 62 QG2 VAL 62 3.164 -1.302 -4.960 653 QG VAL 62 QQG VAL 62 2.461 -0.091 -4.272 654 H LYS 63 H LYS 63 5.555 2.707 -3.969 655 HA LYS 63 HA LYS 63 3.970 4.895 -3.302 656 1HB LYS 63 1HB LYS 63 5.714 4.677 -1.858 657 2HB LYS 63 2HB LYS 63 6.834 4.140 -3.095 658 1HG LYS 63 1HG LYS 63 7.189 6.388 -3.901 659 2HG LYS 63 2HG LYS 63 5.806 7.005 -3.021 660 1HD LYS 63 1HD LYS 63 7.927 5.670 -1.373 661 2HD LYS 63 2HD LYS 63 8.371 7.197 -2.107 662 1HE LYS 63 1HE LYS 63 5.783 7.666 -1.080 663 2HE LYS 63 2HE LYS 63 6.550 6.674 0.145 664 1HZ LYS 63 1HZ LYS 63 8.401 8.548 -0.694 665 2HZ LYS 63 2HZ LYS 63 7.006 9.353 -0.422 666 3HZ LYS 63 3HZ LYS 63 7.671 8.445 0.762 667 QB LYS 63 QB LYS 63 6.274 4.409 -2.477 668 QD LYS 63 QD LYS 63 8.149 6.433 -1.740 669 QG LYS 63 QG LYS 63 6.497 6.696 -3.461 670 QE LYS 63 QE LYS 63 6.166 7.170 -0.468 671 QZ LYS 63 QZ LYS 63 7.692 8.782 -0.118 672 H VAL 64 H VAL 64 6.055 4.203 -6.115 673 HA VAL 64 HA VAL 64 5.998 6.889 -7.063 674 HB VAL 64 HB VAL 64 6.869 4.221 -8.133 675 1HG1 VAL 64 2HG1 VAL 64 6.235 6.668 -9.688 676 2HG1 VAL 64 3HG1 VAL 64 7.810 5.911 -10.033 677 3HG1 VAL 64 1HG1 VAL 64 6.311 4.964 -10.200 678 1HG2 VAL 64 3HG2 VAL 64 8.164 6.706 -7.091 679 2HG2 VAL 64 1HG2 VAL 64 8.581 4.996 -6.825 680 3HG2 VAL 64 2HG2 VAL 64 9.014 5.789 -8.358 681 MG1 VAL 64 QG1 VAL 64 6.785 5.848 -9.974 682 MG2 VAL 64 QG2 VAL 64 8.586 5.831 -7.425 683 QG VAL 64 QQG VAL 64 7.686 5.839 -8.699 684 H PHE 65 H PHE 65 4.014 3.948 -7.428 685 HA PHE 65 HA PHE 65 2.605 4.753 -9.699 686 1HB PHE 65 1HB PHE 65 2.748 2.466 -8.474 687 2HB PHE 65 2HB PHE 65 1.667 3.126 -7.264 688 HD1 PHE 65 HD1 PHE 65 1.875 2.535 -10.937 689 HD2 PHE 65 HD2 PHE 65 -0.625 2.875 -7.526 690 HE1 PHE 65 HE1 PHE 65 -0.100 1.824 -12.314 691 HE2 PHE 65 HE2 PHE 65 -2.600 2.165 -8.901 692 HZ PHE 65 HZ PHE 65 -2.314 1.648 -11.279 693 QB PHE 65 QB PHE 65 2.207 2.796 -7.869 694 QD PHE 65 QD PHE 65 0.625 2.705 -9.231 695 QE PHE 65 QE PHE 65 -1.350 1.995 -10.607 696 QR PHE 65 QR PHE 65 -0.753 2.209 -10.191 697 H LEU 66 H LEU 66 1.681 4.935 -6.182 698 HA LEU 66 HA LEU 66 -0.718 6.178 -6.460 699 1HB LEU 66 1HB LEU 66 1.425 6.345 -4.361 700 2HB LEU 66 2HB LEU 66 -0.060 7.263 -4.206 701 HG LEU 66 HG LEU 66 -0.324 4.346 -4.769 702 1HD1 LEU 66 3HD1 LEU 66 1.532 4.731 -3.003 703 2HD1 LEU 66 1HD1 LEU 66 0.191 5.214 -1.937 704 3HD1 LEU 66 2HD1 LEU 66 0.219 3.582 -2.647 705 1HD2 LEU 66 3HD2 LEU 66 -1.811 6.282 -2.974 706 2HD2 LEU 66 1HD2 LEU 66 -2.311 5.731 -4.591 707 3HD2 LEU 66 2HD2 LEU 66 -2.237 4.575 -3.239 708 MD1 LEU 66 QD1 LEU 66 0.648 4.509 -2.529 709 MD2 LEU 66 QD2 LEU 66 -2.120 5.530 -3.601 710 QB LEU 66 QB LEU 66 0.682 6.804 -4.283 711 QD LEU 66 QQD LEU 66 -0.736 5.019 -3.065 712 H GLU 67 H GLU 67 2.515 7.806 -6.149 713 HA GLU 67 HA GLU 67 1.528 10.357 -6.435 714 1HB GLU 67 1HB GLU 67 4.193 9.027 -6.735 715 2HB GLU 67 2HB GLU 67 4.037 10.612 -7.465 716 1HG GLU 67 1HG GLU 67 2.837 10.550 -4.781 717 2HG GLU 67 2HG GLU 67 4.517 10.053 -4.740 718 QB GLU 67 QB GLU 67 4.115 9.819 -7.100 719 QG GLU 67 QG GLU 67 3.677 10.301 -4.760 720 H SER 68 H SER 68 2.653 7.966 -8.894 721 HA SER 68 HA SER 68 2.618 9.625 -11.065 722 1HB SER 68 1HB SER 68 2.757 7.672 -12.360 723 2HB SER 68 2HB SER 68 3.364 7.134 -10.806 724 HG SER 68 HG SER 68 1.643 5.788 -11.966 725 QB SER 68 QB SER 68 3.060 7.403 -11.583 726 H GLN 69 H GLN 69 -0.041 7.774 -9.482 727 HA GLN 69 HA GLN 69 -1.908 8.603 -11.474 728 1HB GLN 69 1HB GLN 69 -3.563 7.406 -10.035 729 2HB GLN 69 2HB GLN 69 -2.178 6.410 -10.438 730 1HG GLN 69 1HG GLN 69 -1.164 6.813 -8.242 731 2HG GLN 69 2HG GLN 69 -2.388 8.002 -7.842 732 1HE2 GLN 69 1HE2 GLN 69 -4.715 6.959 -8.533 733 2HE2 GLN 69 2HE2 GLN 69 -5.063 5.480 -7.701 734 QB GLN 69 QB GLN 69 -2.871 6.908 -10.237 735 QG GLN 69 QG GLN 69 -1.776 7.407 -8.042 736 QE GLN 69 QE2 GLN 69 -4.889 6.219 -8.117 737 H GLY 70 H GLY 70 -0.330 10.471 -9.449 738 1HA GLY 70 2HA GLY 70 -2.017 12.597 -9.375 739 2HA GLY 70 1HA GLY 70 -0.739 12.312 -8.211 740 QA GLY 70 QA GLY 70 -1.378 12.455 -8.793 741 H ILE 71 H ILE 71 -1.533 10.182 -6.692 742 HA ILE 71 HA ILE 71 -4.205 10.945 -5.743 743 HB ILE 71 HB ILE 71 -3.919 8.632 -6.602 744 1HG1 ILE 71 1HG1 ILE 71 -4.482 8.498 -3.650 745 2HG1 ILE 71 2HG1 ILE 71 -5.510 9.461 -4.693 746 1HG2 ILE 71 2HG2 ILE 71 -1.507 8.662 -5.290 747 2HG2 ILE 71 3HG2 ILE 71 -2.520 7.676 -4.208 748 3HG2 ILE 71 1HG2 ILE 71 -2.333 7.215 -5.916 749 1HD1 ILE 71 2HD1 ILE 71 -5.018 6.890 -5.956 750 2HD1 ILE 71 3HD1 ILE 71 -5.604 6.644 -4.294 751 3HD1 ILE 71 1HD1 ILE 71 -6.565 7.605 -5.443 752 MG ILE 71 QG2 ILE 71 -2.120 7.851 -5.138 753 MD ILE 71 QD1 ILE 71 -5.729 7.046 -5.231 754 QG ILE 71 QG1 ILE 71 -4.996 8.980 -4.172 755 H ALA 72 H ALA 72 -4.382 10.394 -3.231 756 HA ALA 72 HA ALA 72 -1.956 11.478 -1.969 757 1HB ALA 72 1HB ALA 72 -4.097 12.985 -2.270 758 2HB ALA 72 2HB ALA 72 -4.729 12.018 -0.916 759 3HB ALA 72 3HB ALA 72 -3.237 12.965 -0.712 760 MB ALA 72 QB ALA 72 -4.021 12.656 -1.299 761 H TYR 73 H TYR 73 -1.063 10.043 -0.580 762 HA TYR 73 HA TYR 73 -2.895 8.272 0.874 763 1HB TYR 73 1HB TYR 73 -0.889 6.588 0.501 764 2HB TYR 73 2HB TYR 73 -1.953 6.873 -0.863 765 HD1 TYR 73 HD1 TYR 73 1.404 6.718 0.156 766 HD2 TYR 73 HD2 TYR 73 -1.202 8.906 -2.438 767 HE1 TYR 73 HE1 TYR 73 3.395 7.432 -1.255 768 HE2 TYR 73 HE2 TYR 73 0.798 9.611 -3.840 769 HH TYR 73 HH TYR 73 3.817 9.551 -2.829 770 QB TYR 73 QB TYR 73 -1.421 6.731 -0.181 771 QD TYR 73 QD TYR 73 0.101 7.812 -1.141 772 QE TYR 73 QE TYR 73 2.097 8.522 -2.548 773 QR TYR 73 QR TYR 73 1.099 8.167 -1.844 774 H SER 74 H SER 74 -1.025 6.884 2.388 775 HA SER 74 HA SER 74 0.911 8.641 3.439 776 1HB SER 74 1HB SER 74 -1.773 8.455 4.757 777 2HB SER 74 2HB SER 74 -0.384 8.373 5.821 778 HG SER 74 HG SER 74 -1.476 10.562 4.630 779 QB SER 74 QB SER 74 -1.079 8.414 5.289 780 H ILE 75 H ILE 75 1.888 7.583 5.553 781 HA ILE 75 HA ILE 75 1.879 4.699 5.080 782 HB ILE 75 HB ILE 75 3.860 6.484 6.498 783 1HG1 ILE 75 1HG1 ILE 75 4.863 5.119 4.163 784 2HG1 ILE 75 2HG1 ILE 75 3.430 6.032 3.734 785 1HG2 ILE 75 3HG2 ILE 75 3.454 3.812 6.969 786 2HG2 ILE 75 1HG2 ILE 75 4.708 3.788 5.706 787 3HG2 ILE 75 2HG2 ILE 75 4.983 4.689 7.216 788 1HD1 ILE 75 2HD1 ILE 75 4.667 7.884 5.306 789 2HD1 ILE 75 3HD1 ILE 75 6.088 7.006 4.692 790 3HD1 ILE 75 1HD1 ILE 75 4.944 7.756 3.552 791 MG ILE 75 QG2 ILE 75 4.382 4.096 6.631 792 MD ILE 75 QD1 ILE 75 5.233 7.549 4.517 793 QG ILE 75 QG1 ILE 75 4.147 5.576 3.949 794 H MET 76 H MET 76 0.996 3.303 6.522 795 HA MET 76 HA MET 76 0.082 4.504 9.011 796 1HB MET 76 1HB MET 76 -1.594 3.448 7.395 797 2HB MET 76 2HB MET 76 -0.793 1.908 7.627 798 1HG MET 76 1HG MET 76 -2.717 1.977 9.119 799 2HG MET 76 2HG MET 76 -1.272 2.074 10.107 800 1HE MET 76 1HE MET 76 -0.777 3.524 11.631 801 2HE MET 76 2HE MET 76 -1.549 5.070 12.056 802 3HE MET 76 3HE MET 76 -2.412 3.539 12.336 803 QB MET 76 QB MET 76 -1.194 2.678 7.511 804 QG MET 76 QG MET 76 -1.995 2.025 9.613 805 ME MET 76 QE MET 76 -1.579 4.044 12.008 806 H ILE 77 H ILE 77 1.002 1.166 7.877 807 HA ILE 77 HA ILE 77 2.452 0.877 10.414 808 HB ILE 77 HB ILE 77 2.160 -1.650 9.511 809 1HG1 ILE 77 1HG1 ILE 77 -0.261 -0.121 8.520 810 2HG1 ILE 77 2HG1 ILE 77 0.857 -1.070 7.561 811 1HG2 ILE 77 1HG2 ILE 77 1.535 -0.403 11.730 812 2HG2 ILE 77 2HG2 ILE 77 -0.109 -0.435 11.046 813 3HG2 ILE 77 3HG2 ILE 77 0.773 -1.958 11.317 814 1HD1 ILE 77 3HD1 ILE 77 -0.781 -2.260 9.842 815 2HD1 ILE 77 1HD1 ILE 77 -1.326 -2.247 8.148 816 3HD1 ILE 77 2HD1 ILE 77 0.145 -3.139 8.602 817 MG ILE 77 QG2 ILE 77 0.733 -0.932 11.364 818 MD ILE 77 QD1 ILE 77 -0.654 -2.549 8.864 819 QG ILE 77 QG1 ILE 77 0.298 -0.596 8.041 820 H GLU 78 H GLU 78 4.623 0.964 10.276 821 HA GLU 78 HA GLU 78 5.820 -0.152 7.884 822 1HB GLU 78 1HB GLU 78 5.554 2.496 7.918 823 2HB GLU 78 2HB GLU 78 6.941 2.426 8.986 824 1HG GLU 78 1HG GLU 78 7.622 0.670 6.889 825 2HG GLU 78 2HG GLU 78 6.802 1.990 6.077 826 QB GLU 78 QB GLU 78 6.248 2.461 8.452 827 QG GLU 78 QG GLU 78 7.212 1.330 6.483 828 H ASP 79 H ASP 79 8.445 1.155 8.987 829 HA ASP 79 HA ASP 79 9.036 -1.068 10.674 830 1HB ASP 79 1HB ASP 79 10.561 1.118 9.289 831 2HB ASP 79 2HB ASP 79 11.314 0.431 10.715 832 QB ASP 79 QB ASP 79 10.937 0.774 10.002 833 H VAL 80 H VAL 80 7.475 -0.253 12.430 834 HA VAL 80 HA VAL 80 7.538 2.099 13.721 835 HB VAL 80 HB VAL 80 6.167 -0.018 14.121 836 1HG1 VAL 80 1HG1 VAL 80 8.279 -1.370 14.680 837 2HG1 VAL 80 2HG1 VAL 80 8.216 -0.579 16.274 838 3HG1 VAL 80 3HG1 VAL 80 6.859 -1.595 15.729 839 1HG2 VAL 80 3HG2 VAL 80 7.120 1.755 16.388 840 2HG2 VAL 80 1HG2 VAL 80 5.678 1.957 15.365 841 3HG2 VAL 80 2HG2 VAL 80 5.757 0.620 16.537 842 MG1 VAL 80 QG1 VAL 80 7.784 -1.181 15.561 843 MG2 VAL 80 QG2 VAL 80 6.185 1.444 16.097 844 QG VAL 80 QQG VAL 80 6.985 0.131 15.829 845 H GLN 81 H GLN 81 9.312 3.313 14.191 846 HA GLN 81 HA GLN 81 11.809 2.288 14.646 847 1HB GLN 81 1HB GLN 81 10.472 4.926 15.267 848 2HB GLN 81 2HB GLN 81 12.098 4.637 15.856 849 1HG GLN 81 1HG GLN 81 12.930 5.122 13.807 850 2HG GLN 81 2HG GLN 81 12.059 3.762 13.127 851 1HE2 GLN 81 1HE2 GLN 81 11.902 7.177 13.938 852 2HE2 GLN 81 2HE2 GLN 81 10.650 7.629 12.829 853 QB GLN 81 QB GLN 81 11.285 4.781 15.561 854 QG GLN 81 QG GLN 81 12.495 4.442 13.467 855 QE GLN 81 QE2 GLN 81 11.276 7.403 13.383 No H/Q in entry = 855 Start of MODEL 17 1 H MET 1 H MET 1 32.925 -19.748 11.984 2 HA MET 1 HA MET 1 32.912 -17.513 11.729 3 1HB MET 1 1HB MET 1 31.495 -18.795 9.344 4 2HB MET 1 2HB MET 1 31.931 -17.098 9.313 5 1HG MET 1 1HG MET 1 33.890 -17.938 8.416 6 2HG MET 1 2HG MET 1 34.324 -18.093 10.106 7 1HE MET 1 3HE MET 1 35.388 -19.438 7.594 8 2HE MET 1 1HE MET 1 36.128 -20.312 8.957 9 3HE MET 1 2HE MET 1 35.314 -21.215 7.657 10 QB MET 1 QB MET 1 31.713 -17.947 9.328 11 QG MET 1 QG MET 1 34.107 -18.015 9.261 12 ME MET 1 QE MET 1 35.610 -20.321 8.069 13 H ARG 2 H ARG 2 29.795 -18.017 9.995 14 HA ARG 2 HA ARG 2 28.208 -17.021 12.047 15 1HB ARG 2 1HB ARG 2 29.601 -14.933 11.178 16 2HB ARG 2 2HB ARG 2 28.502 -14.982 9.813 17 1HG ARG 2 1HG ARG 2 27.304 -13.570 11.221 18 2HG ARG 2 2HG ARG 2 26.629 -15.111 11.712 19 1HD ARG 2 1HD ARG 2 28.974 -14.814 13.286 20 2HD ARG 2 2HD ARG 2 28.240 -13.222 13.270 21 HE ARG 2 HE ARG 2 27.279 -15.448 14.747 22 1HH1 ARG 2 2HH1 ARG 2 25.202 -15.454 15.697 23 2HH1 ARG 2 1HH1 ARG 2 23.969 -14.397 15.091 24 1HH2 ARG 2 2HH2 ARG 2 26.007 -12.971 12.596 25 2HH2 ARG 2 1HH2 ARG 2 24.431 -12.975 13.316 26 QB ARG 2 QB ARG 2 29.052 -14.958 10.495 27 QG ARG 2 QG ARG 2 26.967 -14.341 11.466 28 QD ARG 2 QD ARG 2 28.607 -14.018 13.278 29 QH1 ARG 2 QH1 ARG 2 24.585 -14.926 15.394 30 QH2 ARG 2 QH2 ARG 2 25.219 -12.973 12.956 31 H SER 3 H SER 3 25.970 -17.231 11.476 32 HA SER 3 HA SER 3 25.413 -17.697 8.678 33 1HB SER 3 1HB SER 3 25.930 -19.919 9.841 34 2HB SER 3 2HB SER 3 24.507 -19.657 10.829 35 HG SER 3 HG SER 3 24.522 -19.773 7.932 36 QB SER 3 QB SER 3 25.218 -19.788 10.335 37 H LEU 4 H LEU 4 23.577 -16.570 8.129 38 HA LEU 4 HA LEU 4 21.355 -16.461 9.916 39 1HB LEU 4 1HB LEU 4 21.314 -13.987 10.068 40 2HB LEU 4 2HB LEU 4 22.560 -14.768 11.022 41 HG LEU 4 HG LEU 4 23.928 -14.220 8.710 42 1HD1 LEU 4 3HD1 LEU 4 21.566 -12.647 8.561 43 2HD1 LEU 4 1HD1 LEU 4 22.926 -11.553 8.911 44 3HD1 LEU 4 2HD1 LEU 4 22.988 -12.626 7.492 45 1HD2 LEU 4 1HD2 LEU 4 23.723 -13.057 11.413 46 2HD2 LEU 4 2HD2 LEU 4 25.143 -13.621 10.500 47 3HD2 LEU 4 3HD2 LEU 4 24.471 -12.002 10.189 48 MD1 LEU 4 QD1 LEU 4 22.494 -12.275 8.321 49 MD2 LEU 4 QD2 LEU 4 24.446 -12.893 10.701 50 QB LEU 4 QB LEU 4 21.937 -14.378 10.545 51 QD LEU 4 QQD LEU 4 23.470 -12.584 9.511 52 H GLU 5 H GLU 5 19.435 -15.774 8.832 53 HA GLU 5 HA GLU 5 19.845 -15.643 5.953 54 1HB GLU 5 1HB GLU 5 18.482 -17.553 6.998 55 2HB GLU 5 2HB GLU 5 17.269 -16.358 7.413 56 1HG GLU 5 1HG GLU 5 16.447 -16.365 5.299 57 2HG GLU 5 2HG GLU 5 18.026 -16.000 4.631 58 QB GLU 5 QB GLU 5 17.876 -16.955 7.206 59 QG GLU 5 QG GLU 5 17.237 -16.183 4.965 60 H THR 6 H THR 6 18.649 -14.085 4.682 61 HA THR 6 HA THR 6 18.020 -11.690 6.217 62 HB THR 6 HB THR 6 18.112 -10.654 3.918 63 HG1 THR 6 HG1 THR 6 18.499 -12.147 2.184 64 1HG2 THR 6 2HG2 THR 6 20.284 -11.119 5.238 65 2HG2 THR 6 3HG2 THR 6 20.445 -12.601 4.264 66 3HG2 THR 6 1HG2 THR 6 20.472 -11.007 3.472 67 MG THR 6 QG2 THR 6 20.400 -11.576 4.325 68 H PHE 7 H PHE 7 16.099 -10.366 5.579 69 HA PHE 7 HA PHE 7 13.919 -11.817 4.412 70 1HB PHE 7 1HB PHE 7 14.291 -12.372 7.017 71 2HB PHE 7 2HB PHE 7 13.626 -10.771 7.269 72 HD1 PHE 7 HD1 PHE 7 12.690 -13.467 4.861 73 HD2 PHE 7 HD2 PHE 7 11.492 -11.020 8.114 74 HE1 PHE 7 HE1 PHE 7 10.367 -14.407 4.714 75 HE2 PHE 7 HE2 PHE 7 9.169 -11.960 7.966 76 HZ PHE 7 HZ PHE 7 8.635 -13.643 6.269 77 QB PHE 7 QB PHE 7 13.958 -11.571 7.143 78 QD PHE 7 QD PHE 7 12.091 -12.243 6.487 79 QE PHE 7 QE PHE 7 9.768 -13.184 6.340 80 QR PHE 7 QR PHE 7 10.471 -12.899 6.385 81 H VAL 8 H VAL 8 11.773 -10.282 5.207 82 HA VAL 8 HA VAL 8 12.570 -7.501 5.071 83 HB VAL 8 HB VAL 8 10.639 -8.498 3.007 84 1HG1 VAL 8 1HG1 VAL 8 12.110 -6.005 3.630 85 2HG1 VAL 8 2HG1 VAL 8 12.034 -6.435 1.904 86 3HG1 VAL 8 3HG1 VAL 8 10.533 -6.245 2.842 87 1HG2 VAL 8 3HG2 VAL 8 12.635 -9.868 2.664 88 2HG2 VAL 8 1HG2 VAL 8 12.476 -8.659 1.366 89 3HG2 VAL 8 2HG2 VAL 8 13.658 -8.411 2.674 90 MG1 VAL 8 QG1 VAL 8 11.559 -6.229 2.792 91 MG2 VAL 8 QG2 VAL 8 12.923 -8.980 2.235 92 QG VAL 8 QQG VAL 8 12.241 -7.604 2.514 93 H GLY 9 H GLY 9 10.649 -6.048 5.400 94 1HA GLY 9 2HA GLY 9 9.253 -6.078 7.475 95 2HA GLY 9 1HA GLY 9 8.460 -7.480 6.782 96 QA GLY 9 QA GLY 9 8.856 -6.779 7.129 97 H ASP 10 H ASP 10 6.626 -7.127 5.605 98 HA ASP 10 HA ASP 10 6.359 -5.219 3.683 99 1HB ASP 10 1HB ASP 10 3.770 -5.548 4.374 100 2HB ASP 10 2HB ASP 10 4.672 -6.782 3.516 101 QB ASP 10 QB ASP 10 4.221 -6.165 3.945 102 H GLN 11 H GLN 11 4.465 -3.432 3.818 103 HA GLN 11 HA GLN 11 4.288 -2.247 6.426 104 1HB GLN 11 1HB GLN 11 6.395 -1.293 5.552 105 2HB GLN 11 2HB GLN 11 5.583 -0.777 4.089 106 1HG GLN 11 1HG GLN 11 4.011 0.268 6.214 107 2HG GLN 11 2HG GLN 11 5.672 0.530 6.705 108 1HE2 GLN 11 1HE2 GLN 11 6.518 2.358 6.098 109 2HE2 GLN 11 2HE2 GLN 11 6.137 3.282 4.683 110 QB GLN 11 QB GLN 11 5.989 -1.035 4.820 111 QG GLN 11 QG GLN 11 4.842 0.399 6.459 112 QE GLN 11 QE2 GLN 11 6.327 2.820 5.391 113 H VAL 12 H VAL 12 2.385 -1.028 6.674 114 HA VAL 12 HA VAL 12 0.573 -1.191 4.408 115 HB VAL 12 HB VAL 12 -0.243 -0.118 7.060 116 1HG1 VAL 12 2HG1 VAL 12 -1.462 -2.066 5.074 117 2HG1 VAL 12 3HG1 VAL 12 -2.225 -1.556 6.599 118 3HG1 VAL 12 1HG1 VAL 12 -1.909 -0.360 5.318 119 1HG2 VAL 12 2HG2 VAL 12 0.916 -2.839 6.632 120 2HG2 VAL 12 3HG2 VAL 12 0.930 -1.801 8.077 121 3HG2 VAL 12 1HG2 VAL 12 -0.541 -2.705 7.643 122 MG1 VAL 12 QG1 VAL 12 -1.865 -1.327 5.664 123 MG2 VAL 12 QG2 VAL 12 0.435 -2.448 7.450 124 QG VAL 12 QQG VAL 12 -0.715 -1.888 6.557 125 H LEU 13 H LEU 13 -0.938 0.772 4.096 126 HA LEU 13 HA LEU 13 0.166 3.308 4.821 127 1HB LEU 13 1HB LEU 13 1.004 4.049 2.839 128 2HB LEU 13 2HB LEU 13 1.548 2.383 2.841 129 HG LEU 13 HG LEU 13 -0.896 2.227 1.542 130 1HD1 LEU 13 1HD1 LEU 13 -0.855 4.767 1.522 131 2HD1 LEU 13 2HD1 LEU 13 0.513 4.639 0.390 132 3HD1 LEU 13 3HD1 LEU 13 -1.072 3.959 -0.049 133 1HD2 LEU 13 2HD2 LEU 13 1.976 2.198 0.733 134 2HD2 LEU 13 3HD2 LEU 13 0.737 0.923 0.635 135 3HD2 LEU 13 1HD2 LEU 13 0.742 2.251 -0.549 136 MD1 LEU 13 QD1 LEU 13 -0.471 4.455 0.621 137 MD2 LEU 13 QD2 LEU 13 1.152 1.791 0.273 138 QB LEU 13 QB LEU 13 1.276 3.216 2.840 139 QD LEU 13 QQD LEU 13 0.340 3.123 0.447 140 H GLU 14 H GLU 14 -1.308 5.059 4.313 141 HA GLU 14 HA GLU 14 -3.979 4.009 3.918 142 1HB GLU 14 1HB GLU 14 -3.957 5.290 5.883 143 2HB GLU 14 2HB GLU 14 -2.826 6.463 5.240 144 1HG GLU 14 1HG GLU 14 -4.539 7.446 3.805 145 2HG GLU 14 2HG GLU 14 -5.665 6.152 4.164 146 QB GLU 14 QB GLU 14 -3.392 5.876 5.561 147 QG GLU 14 QG GLU 14 -5.102 6.799 3.984 148 H ILE 15 H ILE 15 -5.481 5.022 2.413 149 HA ILE 15 HA ILE 15 -4.235 6.810 0.470 150 HB ILE 15 HB ILE 15 -5.758 4.321 -0.301 151 1HG1 ILE 15 1HG1 ILE 15 -2.789 4.800 -0.634 152 2HG1 ILE 15 2HG1 ILE 15 -3.462 3.933 0.732 153 1HG2 ILE 15 1HG2 ILE 15 -4.413 6.513 -1.887 154 2HG2 ILE 15 2HG2 ILE 15 -4.815 4.923 -2.577 155 3HG2 ILE 15 3HG2 ILE 15 -6.108 5.974 -1.951 156 1HD1 ILE 15 3HD1 ILE 15 -4.664 2.421 -0.971 157 2HD1 ILE 15 1HD1 ILE 15 -3.645 3.185 -2.214 158 3HD1 ILE 15 2HD1 ILE 15 -2.893 2.260 -0.893 159 MG ILE 15 QG2 ILE 15 -5.112 5.803 -2.139 160 MD ILE 15 QD1 ILE 15 -3.734 2.622 -1.359 161 QG ILE 15 QG1 ILE 15 -3.126 4.367 0.049 162 H VAL 16 H VAL 16 -5.651 8.332 -0.411 163 HA VAL 16 HA VAL 16 -8.455 8.071 0.387 164 HB VAL 16 HB VAL 16 -6.800 10.579 0.708 165 1HG1 VAL 16 1HG1 VAL 16 -9.689 9.923 0.969 166 2HG1 VAL 16 2HG1 VAL 16 -8.993 10.969 2.230 167 3HG1 VAL 16 3HG1 VAL 16 -8.891 11.450 0.519 168 1HG2 VAL 16 1HG2 VAL 16 -7.327 8.315 2.556 169 2HG2 VAL 16 2HG2 VAL 16 -5.975 9.472 2.509 170 3HG2 VAL 16 3HG2 VAL 16 -7.529 9.948 3.235 171 MG1 VAL 16 QG1 VAL 16 -9.191 10.780 1.239 172 MG2 VAL 16 QG2 VAL 16 -6.944 9.245 2.767 173 QG VAL 16 QQG VAL 16 -8.067 10.013 2.003 174 HA PRO 17 HA PRO 17 -8.257 9.060 -3.947 175 1HB PRO 17 1HB PRO 17 -10.446 7.606 -4.694 176 2HB PRO 17 2HB PRO 17 -8.820 6.953 -4.683 177 1HG PRO 17 1HG PRO 17 -11.026 6.465 -2.778 178 2HG PRO 17 2HG PRO 17 -9.570 5.525 -3.035 179 1HD PRO 17 1HD PRO 17 -10.085 7.331 -0.868 180 2HD PRO 17 2HD PRO 17 -8.587 6.481 -1.190 181 QB PRO 17 QB PRO 17 -9.633 7.280 -4.689 182 QG PRO 17 QG PRO 17 -10.298 5.995 -2.906 183 QD PRO 17 QD PRO 17 -9.336 6.906 -1.029 184 H SER 18 H SER 18 -10.067 9.842 -5.570 185 HA SER 18 HA SER 18 -12.040 11.290 -4.048 186 1HB SER 18 1HB SER 18 -11.301 13.339 -5.647 187 2HB SER 18 2HB SER 18 -10.655 13.121 -4.033 188 HG SER 18 HG SER 18 -9.264 13.239 -6.291 189 QB SER 18 QB SER 18 -10.978 13.230 -4.840 190 H ASN 19 H ASN 19 -10.517 10.574 -7.253 191 HA ASN 19 HA ASN 19 -13.154 10.827 -8.442 192 1HB ASN 19 1HB ASN 19 -10.347 10.690 -9.656 193 2HB ASN 19 2HB ASN 19 -11.802 10.669 -10.633 194 1HD2 ASN 19 1HD2 ASN 19 -13.272 12.457 -10.504 195 2HD2 ASN 19 2HD2 ASN 19 -12.701 14.051 -10.139 196 QB ASN 19 QB ASN 19 -11.074 10.679 -10.145 197 QD ASN 19 QD2 ASN 19 -12.987 13.254 -10.321 198 H GLU 20 H GLU 20 -13.131 9.118 -10.560 199 HA GLU 20 HA GLU 20 -13.038 6.568 -9.274 200 1HB GLU 20 1HB GLU 20 -14.186 7.691 -11.807 201 2HB GLU 20 2HB GLU 20 -13.833 5.974 -11.795 202 1HG GLU 20 1HG GLU 20 -15.840 5.699 -10.761 203 2HG GLU 20 2HG GLU 20 -15.077 6.346 -9.322 204 QB GLU 20 QB GLU 20 -14.010 6.833 -11.801 205 QG GLU 20 QG GLU 20 -15.459 6.022 -10.042 206 H GLU 21 H GLU 21 -11.372 8.317 -11.942 207 HA GLU 21 HA GLU 21 -9.991 6.245 -13.024 208 1HB GLU 21 1HB GLU 21 -9.809 8.293 -14.157 209 2HB GLU 21 2HB GLU 21 -9.431 9.192 -12.701 210 1HG GLU 21 1HG GLU 21 -7.176 8.634 -12.762 211 2HG GLU 21 2HG GLU 21 -7.469 7.061 -13.478 212 QB GLU 21 QB GLU 21 -9.620 8.743 -13.429 213 QG GLU 21 QG GLU 21 -7.323 7.848 -13.120 214 H GLN 22 H GLN 22 -9.063 8.333 -10.207 215 HA GLN 22 HA GLN 22 -6.604 7.200 -9.773 216 1HB GLN 22 1HB GLN 22 -8.585 8.738 -8.135 217 2HB GLN 22 2HB GLN 22 -7.332 7.895 -7.245 218 1HG GLN 22 1HG GLN 22 -5.954 9.638 -7.711 219 2HG GLN 22 2HG GLN 22 -5.930 9.083 -9.373 220 1HE2 GLN 22 1HE2 GLN 22 -6.451 11.665 -7.454 221 2HE2 GLN 22 2HE2 GLN 22 -7.495 12.631 -8.442 222 QB GLN 22 QB GLN 22 -7.958 8.317 -7.690 223 QG GLN 22 QG GLN 22 -5.942 9.360 -8.542 224 QE GLN 22 QE2 GLN 22 -6.973 12.148 -7.948 225 H ILE 23 H ILE 23 -9.869 6.245 -8.561 226 HA ILE 23 HA ILE 23 -8.891 4.168 -6.914 227 HB ILE 23 HB ILE 23 -11.557 5.012 -7.973 228 1HG1 ILE 23 1HG1 ILE 23 -10.625 4.575 -5.128 229 2HG1 ILE 23 2HG1 ILE 23 -10.382 6.084 -5.984 230 1HG2 ILE 23 2HG2 ILE 23 -10.831 2.295 -7.154 231 2HG2 ILE 23 3HG2 ILE 23 -12.173 2.990 -6.213 232 3HG2 ILE 23 1HG2 ILE 23 -12.283 2.900 -7.987 233 1HD1 ILE 23 1HD1 ILE 23 -13.101 4.749 -5.601 234 2HD1 ILE 23 2HD1 ILE 23 -12.473 6.079 -4.599 235 3HD1 ILE 23 3HD1 ILE 23 -12.802 6.346 -6.328 236 MG ILE 23 QG2 ILE 23 -11.762 2.728 -7.118 237 MD ILE 23 QD1 ILE 23 -12.792 5.725 -5.509 238 QG ILE 23 QG1 ILE 23 -10.504 5.330 -5.556 239 H LYS 24 H LYS 24 -10.111 4.352 -10.302 240 HA LYS 24 HA LYS 24 -10.091 1.596 -10.759 241 1HB LYS 24 1HB LYS 24 -11.308 2.742 -12.329 242 2HB LYS 24 2HB LYS 24 -10.172 4.072 -12.422 243 1HG LYS 24 1HG LYS 24 -8.535 2.556 -13.599 244 2HG LYS 24 2HG LYS 24 -9.724 1.270 -13.558 245 1HD LYS 24 1HD LYS 24 -10.330 3.980 -14.813 246 2HD LYS 24 2HD LYS 24 -9.587 2.684 -15.727 247 1HE LYS 24 1HE LYS 24 -11.518 1.195 -15.234 248 2HE LYS 24 2HE LYS 24 -12.253 2.446 -14.250 249 1HZ LYS 24 2HZ LYS 24 -11.540 3.279 -16.896 250 2HZ LYS 24 3HZ LYS 24 -12.699 2.131 -16.843 251 3HZ LYS 24 1HZ LYS 24 -12.914 3.545 -16.054 252 QB LYS 24 QB LYS 24 -10.740 3.407 -12.376 253 QD LYS 24 QD LYS 24 -9.959 3.332 -15.270 254 QG LYS 24 QG LYS 24 -9.129 1.913 -13.578 255 QE LYS 24 QE LYS 24 -11.885 1.820 -14.742 256 QZ LYS 24 QZ LYS 24 -12.385 2.985 -16.597 257 H ASN 25 H ASN 25 -7.527 3.829 -10.193 258 HA ASN 25 HA ASN 25 -5.608 2.641 -11.849 259 1HB ASN 25 1HB ASN 25 -5.655 4.944 -10.462 260 2HB ASN 25 2HB ASN 25 -4.880 3.976 -9.225 261 1HD2 ASN 25 1HD2 ASN 25 -4.729 4.491 -12.748 262 2HD2 ASN 25 2HD2 ASN 25 -3.002 4.541 -12.889 263 QB ASN 25 QB ASN 25 -5.268 4.460 -9.844 264 QD ASN 25 QD2 ASN 25 -3.865 4.516 -12.818 265 H LEU 26 H LEU 26 -6.313 2.479 -8.273 266 HA LEU 26 HA LEU 26 -4.395 0.651 -7.569 267 1HB LEU 26 1HB LEU 26 -6.200 2.048 -6.239 268 2HB LEU 26 2HB LEU 26 -7.100 0.546 -6.309 269 HG LEU 26 HG LEU 26 -4.850 -0.494 -5.390 270 1HD1 LEU 26 3HD1 LEU 26 -3.841 1.931 -5.609 271 2HD1 LEU 26 1HD1 LEU 26 -4.601 2.150 -4.014 272 3HD1 LEU 26 2HD1 LEU 26 -3.395 0.864 -4.255 273 1HD2 LEU 26 3HD2 LEU 26 -7.009 0.955 -3.875 274 2HD2 LEU 26 1HD2 LEU 26 -6.782 -0.792 -4.128 275 3HD2 LEU 26 2HD2 LEU 26 -5.701 0.095 -3.027 276 MD1 LEU 26 QD1 LEU 26 -3.946 1.648 -4.626 277 MD2 LEU 26 QD2 LEU 26 -6.497 0.086 -3.677 278 QB LEU 26 QB LEU 26 -6.650 1.297 -6.274 279 QD LEU 26 QQD LEU 26 -5.222 0.867 -4.151 280 H LEU 27 H LEU 27 -7.867 -0.066 -8.392 281 HA LEU 27 HA LEU 27 -7.800 -2.752 -8.296 282 1HB LEU 27 1HB LEU 27 -9.265 -0.763 -9.945 283 2HB LEU 27 2HB LEU 27 -9.359 -2.438 -10.452 284 HG LEU 27 HG LEU 27 -9.890 -1.832 -7.574 285 1HD1 LEU 27 1HD1 LEU 27 -11.245 -0.424 -9.626 286 2HD1 LEU 27 2HD1 LEU 27 -12.365 -1.661 -9.006 287 3HD1 LEU 27 3HD1 LEU 27 -11.625 -0.490 -7.888 288 1HD2 LEU 27 2HD2 LEU 27 -10.611 -3.912 -9.583 289 2HD2 LEU 27 3HD2 LEU 27 -10.119 -4.074 -7.881 290 3HD2 LEU 27 1HD2 LEU 27 -11.778 -3.572 -8.284 291 MD1 LEU 27 QD1 LEU 27 -11.745 -0.859 -8.840 292 MD2 LEU 27 QD2 LEU 27 -10.836 -3.852 -8.583 293 QB LEU 27 QB LEU 27 -9.312 -1.601 -10.199 294 QD LEU 27 QQD LEU 27 -11.291 -2.355 -8.711 295 H GLN 28 H GLN 28 -6.797 -0.728 -11.137 296 HA GLN 28 HA GLN 28 -6.106 -2.828 -12.753 297 1HB GLN 28 1HB GLN 28 -6.197 -0.178 -13.102 298 2HB GLN 28 2HB GLN 28 -4.474 -0.294 -12.807 299 1HG GLN 28 1HG GLN 28 -5.220 -2.413 -14.629 300 2HG GLN 28 2HG GLN 28 -5.909 -0.915 -15.224 301 1HE2 GLN 28 1HE2 GLN 28 -4.105 -1.978 -16.779 302 2HE2 GLN 28 2HE2 GLN 28 -2.576 -1.167 -16.724 303 QB GLN 28 QB GLN 28 -5.336 -0.236 -12.955 304 QG GLN 28 QG GLN 28 -5.565 -1.664 -14.926 305 QE GLN 28 QE2 GLN 28 -3.341 -1.572 -16.752 306 H LEU 29 H LEU 29 -4.279 -1.192 -10.136 307 HA LEU 29 HA LEU 29 -1.806 -2.413 -10.723 308 1HB LEU 29 1HB LEU 29 -1.691 -0.467 -9.482 309 2HB LEU 29 2HB LEU 29 -2.989 -0.939 -8.404 310 HG LEU 29 HG LEU 29 -1.420 -2.722 -7.486 311 1HD1 LEU 29 1HD1 LEU 29 0.350 -1.440 -9.472 312 2HD1 LEU 29 2HD1 LEU 29 1.069 -1.713 -7.866 313 3HD1 LEU 29 3HD1 LEU 29 0.384 -3.080 -8.778 314 1HD2 LEU 29 3HD2 LEU 29 -1.122 0.233 -7.113 315 2HD2 LEU 29 1HD2 LEU 29 -1.774 -1.001 -6.009 316 3HD2 LEU 29 2HD2 LEU 29 -0.016 -0.870 -6.260 317 MD1 LEU 29 QD1 LEU 29 0.601 -2.078 -8.705 318 MD2 LEU 29 QD2 LEU 29 -0.970 -0.546 -6.461 319 QB LEU 29 QB LEU 29 -2.340 -0.703 -8.943 320 QD LEU 29 QQD LEU 29 -0.185 -1.312 -7.583 321 H GLU 30 H GLU 30 -4.167 -3.069 -8.032 322 HA GLU 30 HA GLU 30 -3.003 -5.320 -7.116 323 1HB GLU 30 1HB GLU 30 -5.182 -3.967 -6.399 324 2HB GLU 30 2HB GLU 30 -6.015 -5.212 -7.309 325 1HG GLU 30 1HG GLU 30 -4.002 -6.465 -5.630 326 2HG GLU 30 2HG GLU 30 -4.971 -5.385 -4.646 327 QB GLU 30 QB GLU 30 -5.599 -4.590 -6.854 328 QG GLU 30 QG GLU 30 -4.487 -5.925 -5.138 329 H ALA 31 H ALA 31 -5.196 -4.942 -9.939 330 HA ALA 31 HA ALA 31 -5.667 -7.635 -10.426 331 1HB ALA 31 1HB ALA 31 -5.636 -6.446 -12.918 332 2HB ALA 31 3HB ALA 31 -5.883 -5.052 -11.839 333 3HB ALA 31 2HB ALA 31 -7.013 -6.426 -11.790 334 MB ALA 31 QB ALA 31 -6.177 -5.975 -12.182 335 H GLN 32 H GLN 32 -3.048 -5.431 -11.626 336 HA GLN 32 HA GLN 32 -1.782 -6.974 -13.348 337 1HB GLN 32 1HB GLN 32 -0.472 -5.369 -11.110 338 2HB GLN 32 2HB GLN 32 0.363 -5.924 -12.547 339 1HG GLN 32 1HG GLN 32 -2.105 -4.566 -13.306 340 2HG GLN 32 2HG GLN 32 -1.164 -3.535 -12.246 341 1HE2 GLN 32 1HE2 GLN 32 1.246 -3.516 -12.729 342 2HE2 GLN 32 2HE2 GLN 32 1.717 -3.357 -14.388 343 QB GLN 32 QB GLN 32 -0.055 -5.647 -11.828 344 QG GLN 32 QG GLN 32 -1.634 -4.051 -12.776 345 QE GLN 32 QE2 GLN 32 1.482 -3.436 -13.559 346 H GLU 33 H GLU 33 -1.502 -9.173 -13.269 347 HA GLU 33 HA GLU 33 -1.254 -10.590 -10.917 348 1HB GLU 33 1HB GLU 33 -0.799 -11.167 -13.833 349 2HB GLU 33 2HB GLU 33 -0.180 -12.329 -12.676 350 1HG GLU 33 1HG GLU 33 -2.683 -11.921 -11.633 351 2HG GLU 33 2HG GLU 33 -3.015 -11.621 -13.327 352 QB GLU 33 QB GLU 33 -0.489 -11.748 -13.254 353 QG GLU 33 QG GLU 33 -2.849 -11.771 -12.480 354 H HIS 34 H HIS 34 0.374 -9.473 -9.636 355 HA HIS 34 HA HIS 34 2.892 -10.640 -9.823 356 1HB HIS 34 1HB HIS 34 4.287 -9.078 -10.740 357 2HB HIS 34 2HB HIS 34 2.871 -8.867 -11.751 358 HD1 HIS 34 HD1 HIS 34 5.272 -6.917 -10.002 359 HD2 HIS 34 HD2 HIS 34 1.113 -6.655 -10.488 360 HE1 HIS 34 HE1 HIS 34 4.640 -4.502 -9.470 361 HE2 HIS 34 HE2 HIS 34 2.081 -4.389 -9.840 362 QB HIS 34 QB HIS 34 3.579 -8.972 -11.246 363 H LEU 35 H LEU 35 0.863 -7.875 -8.758 364 HA LEU 35 HA LEU 35 2.345 -7.802 -6.247 365 1HB LEU 35 1HB LEU 35 0.590 -5.941 -7.750 366 2HB LEU 35 2HB LEU 35 0.511 -5.857 -6.002 367 HG LEU 35 HG LEU 35 3.049 -5.585 -7.636 368 1HD1 LEU 35 3HD1 LEU 35 0.964 -3.662 -6.944 369 2HD1 LEU 35 1HD1 LEU 35 2.579 -3.165 -6.385 370 3HD1 LEU 35 2HD1 LEU 35 2.308 -3.535 -8.105 371 1HD2 LEU 35 1HD2 LEU 35 2.810 -6.321 -4.992 372 2HD2 LEU 35 2HD2 LEU 35 4.236 -5.570 -5.747 373 3HD2 LEU 35 3HD2 LEU 35 3.044 -4.559 -4.895 374 MD1 LEU 35 QD1 LEU 35 1.950 -3.454 -7.145 375 MD2 LEU 35 QD2 LEU 35 3.364 -5.483 -5.211 376 QB LEU 35 QB LEU 35 0.550 -5.899 -6.876 377 QD LEU 35 QQD LEU 35 2.657 -4.469 -6.178 378 H GLN 36 H GLN 36 -1.150 -7.728 -7.260 379 HA GLN 36 HA GLN 36 -2.926 -8.603 -6.369 380 1HB GLN 36 1HB GLN 36 -0.877 -10.748 -5.955 381 2HB GLN 36 2HB GLN 36 -2.380 -10.934 -5.073 382 1HG GLN 36 1HG GLN 36 -3.598 -10.503 -7.308 383 2HG GLN 36 2HG GLN 36 -2.037 -10.655 -8.089 384 1HE2 GLN 36 1HE2 GLN 36 -4.763 -12.254 -7.290 385 2HE2 GLN 36 2HE2 GLN 36 -4.207 -13.894 -7.242 386 QB GLN 36 QB GLN 36 -1.628 -10.841 -5.514 387 QG GLN 36 QG GLN 36 -2.818 -10.579 -7.698 388 QE GLN 36 QE2 GLN 36 -4.485 -13.074 -7.266 389 H LEU 37 H LEU 37 -2.199 -6.527 -4.888 390 HA LEU 37 HA LEU 37 -1.671 -7.250 -2.167 391 1HB LEU 37 1HB LEU 37 -2.648 -4.547 -2.937 392 2HB LEU 37 2HB LEU 37 -1.417 -5.016 -1.781 393 HG LEU 37 HG LEU 37 -0.195 -5.793 -4.066 394 1HD1 LEU 37 1HD1 LEU 37 -2.350 -3.993 -4.889 395 2HD1 LEU 37 2HD1 LEU 37 -0.739 -3.455 -5.419 396 3HD1 LEU 37 3HD1 LEU 37 -1.323 -5.079 -5.854 397 1HD2 LEU 37 3HD2 LEU 37 0.361 -4.073 -2.112 398 2HD2 LEU 37 1HD2 LEU 37 1.301 -4.135 -3.623 399 3HD2 LEU 37 2HD2 LEU 37 0.042 -2.896 -3.408 400 MD1 LEU 37 QD1 LEU 37 -1.471 -4.176 -5.387 401 MD2 LEU 37 QD2 LEU 37 0.568 -3.701 -3.047 402 QB LEU 37 QB LEU 37 -2.032 -4.782 -2.359 403 QD LEU 37 QQD LEU 37 -0.451 -3.939 -4.217 404 H ASP 38 H ASP 38 -3.162 -6.556 -0.363 405 HA ASP 38 HA ASP 38 -5.904 -7.066 -1.213 406 1HB ASP 38 1HB ASP 38 -4.256 -8.012 1.112 407 2HB ASP 38 2HB ASP 38 -5.940 -7.666 1.449 408 QB ASP 38 QB ASP 38 -5.098 -7.839 1.280 409 H PHE 39 H PHE 39 -7.147 -5.200 -0.995 410 HA PHE 39 HA PHE 39 -6.199 -3.123 0.787 411 1HB PHE 39 1HB PHE 39 -8.651 -3.274 -1.062 412 2HB PHE 39 2HB PHE 39 -7.923 -1.807 -0.439 413 HD1 PHE 39 HD1 PHE 39 -8.268 -3.653 -3.291 414 HD2 PHE 39 HD2 PHE 39 -5.225 -1.766 -1.013 415 HE1 PHE 39 HE1 PHE 39 -6.829 -3.496 -5.343 416 HE2 PHE 39 HE2 PHE 39 -3.786 -1.609 -3.064 417 HZ PHE 39 HZ PHE 39 -4.605 -2.476 -5.204 418 QB PHE 39 QB PHE 39 -8.287 -2.541 -0.750 419 QD PHE 39 QD PHE 39 -6.746 -2.710 -2.152 420 QE PHE 39 QE PHE 39 -5.308 -2.552 -4.203 421 QR PHE 39 QR PHE 39 -5.743 -2.600 -3.583 422 H TRP 40 H TRP 40 -6.956 -2.870 2.831 423 HA TRP 40 HA TRP 40 -8.748 -4.553 4.025 424 1HB TRP 40 1HB TRP 40 -7.968 -1.716 4.699 425 2HB TRP 40 2HB TRP 40 -8.971 -2.709 5.739 426 HD1 TRP 40 HD1 TRP 40 -6.512 -5.028 4.302 427 HE1 TRP 40 HE1 TRP 40 -4.447 -5.511 5.873 428 HE3 TRP 40 HE3 TRP 40 -7.349 -1.146 7.477 429 HZ2 TRP 40 HZ2 TRP 40 -3.419 -4.244 8.214 430 HZ3 TRP 40 HZ3 TRP 40 -5.768 -0.840 9.379 431 HH2 TRP 40 HH2 TRP 40 -3.858 -2.312 9.773 432 QB TRP 40 QB TRP 40 -8.469 -2.212 5.219 433 H LYS 41 H LYS 41 -9.465 -1.064 3.279 434 HA LYS 41 HA LYS 41 -12.271 -1.776 3.068 435 1HB LYS 41 1HB LYS 41 -11.192 0.241 4.371 436 2HB LYS 41 2HB LYS 41 -11.194 1.016 2.799 437 1HG LYS 41 1HG LYS 41 -13.585 0.825 2.584 438 2HG LYS 41 2HG LYS 41 -13.693 -0.334 3.894 439 1HD LYS 41 1HD LYS 41 -12.822 1.497 5.461 440 2HD LYS 41 2HD LYS 41 -12.981 2.625 4.129 441 1HE LYS 41 1HE LYS 41 -15.301 0.906 5.119 442 2HE LYS 41 2HE LYS 41 -14.978 2.512 5.743 443 1HZ LYS 41 2HZ LYS 41 -15.043 2.325 2.884 444 2HZ LYS 41 3HZ LYS 41 -16.470 2.025 3.617 445 3HZ LYS 41 1HZ LYS 41 -15.704 3.444 3.870 446 QB LYS 41 QB LYS 41 -11.193 0.628 3.585 447 QD LYS 41 QD LYS 41 -12.901 2.061 4.795 448 QG LYS 41 QG LYS 41 -13.639 0.245 3.239 449 QE LYS 41 QE LYS 41 -15.140 1.709 5.431 450 QZ LYS 41 QZ LYS 41 -15.739 2.598 3.457 451 H SER 42 H SER 42 -12.834 -2.649 1.132 452 HA SER 42 HA SER 42 -11.572 -2.583 -1.173 453 1HB SER 42 1HB SER 42 -13.842 -2.746 -2.298 454 2HB SER 42 2HB SER 42 -13.610 -3.841 -0.949 455 HG SER 42 HG SER 42 -14.677 -1.344 -0.221 456 QB SER 42 QB SER 42 -13.726 -3.293 -1.624 457 HA PRO 43 HA PRO 43 -11.633 1.803 -1.955 458 1HB PRO 43 1HB PRO 43 -9.370 1.879 -3.485 459 2HB PRO 43 2HB PRO 43 -9.355 2.061 -1.742 460 1HG PRO 43 1HG PRO 43 -8.558 -0.275 -3.369 461 2HG PRO 43 2HG PRO 43 -8.162 0.087 -1.701 462 1HD PRO 43 1HD PRO 43 -10.106 -1.806 -2.632 463 2HD PRO 43 2HD PRO 43 -9.792 -1.359 -0.966 464 QB PRO 43 QB PRO 43 -9.362 1.970 -2.614 465 QG PRO 43 QG PRO 43 -8.360 -0.094 -2.535 466 QD PRO 43 QD PRO 43 -9.949 -1.583 -1.799 467 H THR 44 H THR 44 -13.581 0.472 -3.126 468 HA THR 44 HA THR 44 -13.142 0.486 -5.979 469 HB THR 44 HB THR 44 -15.299 -0.318 -4.023 470 HG1 THR 44 HG1 THR 44 -14.177 -1.398 -6.508 471 1HG2 THR 44 1HG2 THR 44 -16.385 1.051 -5.957 472 2HG2 THR 44 2HG2 THR 44 -15.765 -0.221 -7.037 473 3HG2 THR 44 3HG2 THR 44 -16.936 -0.630 -5.760 474 MG THR 44 QG2 THR 44 -16.362 0.066 -6.252 475 H THR 45 H THR 45 -14.796 2.518 -3.523 476 HA THR 45 HA THR 45 -15.115 4.532 -5.648 477 HB THR 45 HB THR 45 -17.286 5.055 -4.781 478 HG1 THR 45 HG1 THR 45 -16.408 3.326 -2.574 479 1HG2 THR 45 1HG2 THR 45 -16.957 2.043 -4.319 480 2HG2 THR 45 2HG2 THR 45 -18.504 2.897 -4.526 481 3HG2 THR 45 3HG2 THR 45 -17.354 2.797 -5.881 482 MG THR 45 QG2 THR 45 -17.605 2.579 -4.909 483 HA PRO 46 HA PRO 46 -13.055 7.260 -3.057 484 1HB PRO 46 1HB PRO 46 -14.239 9.667 -3.578 485 2HB PRO 46 2HB PRO 46 -13.057 8.930 -4.643 486 1HG PRO 46 1HG PRO 46 -15.988 9.126 -4.979 487 2HG PRO 46 2HG PRO 46 -14.764 8.789 -6.187 488 1HD PRO 46 1HD PRO 46 -16.530 6.893 -4.956 489 2HD PRO 46 2HD PRO 46 -15.230 6.540 -6.078 490 QB PRO 46 QB PRO 46 -13.648 9.299 -4.111 491 QG PRO 46 QG PRO 46 -15.376 8.958 -5.583 492 QD PRO 46 QD PRO 46 -15.880 6.717 -5.517 493 H GLY 47 H GLY 47 -13.454 9.355 -1.502 494 1HA GLY 47 2HA GLY 47 -15.834 9.280 -0.003 495 2HA GLY 47 1HA GLY 47 -14.312 10.003 0.472 496 QA GLY 47 QA GLY 47 -15.073 9.642 0.235 497 H GLU 48 H GLU 48 -13.027 7.174 -0.079 498 HA GLU 48 HA GLU 48 -13.607 6.238 2.597 499 1HB GLU 48 1HB GLU 48 -14.128 4.037 1.984 500 2HB GLU 48 2HB GLU 48 -14.950 4.963 0.744 501 1HG GLU 48 1HG GLU 48 -12.970 4.653 -0.776 502 2HG GLU 48 2HG GLU 48 -12.187 3.688 0.461 503 QB GLU 48 QB GLU 48 -14.539 4.500 1.364 504 QG GLU 48 QG GLU 48 -12.578 4.171 -0.157 505 H THR 49 H THR 49 -11.748 5.682 3.699 506 HA THR 49 HA THR 49 -9.256 5.953 2.246 507 HB THR 49 HB THR 49 -8.444 5.626 4.739 508 HG1 THR 49 HG1 THR 49 -10.375 6.155 6.136 509 1HG2 THR 49 2HG2 THR 49 -9.596 7.912 3.365 510 2HG2 THR 49 3HG2 THR 49 -10.099 7.951 5.072 511 3HG2 THR 49 1HG2 THR 49 -8.370 7.907 4.656 512 MG THR 49 QG2 THR 49 -9.355 7.923 4.364 513 H ALA 50 H ALA 50 -7.695 4.393 1.920 514 HA ALA 50 HA ALA 50 -8.612 1.658 2.495 515 1HB ALA 50 2HB ALA 50 -8.045 1.039 0.375 516 2HB ALA 50 3HB ALA 50 -8.275 2.770 0.031 517 3HB ALA 50 1HB ALA 50 -6.640 2.130 0.320 518 MB ALA 50 QB ALA 50 -7.654 1.980 0.242 519 H HIS 51 H HIS 51 -6.882 0.079 2.961 520 HA HIS 51 HA HIS 51 -4.309 1.195 3.610 521 1HB HIS 51 1HB HIS 51 -5.609 -0.268 5.862 522 2HB HIS 51 2HB HIS 51 -4.338 0.939 5.891 523 HD1 HIS 51 HD1 HIS 51 -7.858 0.534 6.603 524 HD2 HIS 51 HD2 HIS 51 -5.444 3.669 5.209 525 HE1 HIS 51 HE1 HIS 51 -9.181 2.681 6.989 526 HE2 HIS 51 HE2 HIS 51 -7.625 4.576 6.163 527 QB HIS 51 QB HIS 51 -4.974 0.335 5.876 528 H VAL 52 H VAL 52 -3.204 -0.203 2.286 529 HA VAL 52 HA VAL 52 -3.766 -3.059 2.697 530 HB VAL 52 HB VAL 52 -4.270 -2.783 0.500 531 1HG1 VAL 52 1HG1 VAL 52 -2.335 -0.473 0.546 532 2HG1 VAL 52 2HG1 VAL 52 -2.874 -1.175 -0.998 533 3HG1 VAL 52 3HG1 VAL 52 -4.067 -0.491 0.133 534 1HG2 VAL 52 1HG2 VAL 52 -2.115 -4.214 0.879 535 2HG2 VAL 52 2HG2 VAL 52 -2.623 -3.805 -0.778 536 3HG2 VAL 52 3HG2 VAL 52 -1.305 -2.896 -0.001 537 MG1 VAL 52 QG1 VAL 52 -3.092 -0.713 -0.107 538 MG2 VAL 52 QG2 VAL 52 -2.014 -3.638 0.033 539 QG VAL 52 QQG VAL 52 -2.553 -2.176 -0.037 540 H ARG 53 H ARG 53 -1.942 -4.496 2.859 541 HA ARG 53 HA ARG 53 0.309 -3.126 4.005 542 1HB ARG 53 1HB ARG 53 -0.456 -6.085 3.864 543 2HB ARG 53 2HB ARG 53 1.003 -5.508 4.643 544 1HG ARG 53 1HG ARG 53 -0.726 -3.886 5.914 545 2HG ARG 53 2HG ARG 53 -1.870 -5.143 5.486 546 1HD ARG 53 1HD ARG 53 0.706 -6.137 6.624 547 2HD ARG 53 2HD ARG 53 -0.273 -5.199 7.735 548 HE ARG 53 HE ARG 53 -1.861 -7.174 6.298 549 1HH1 ARG 53 2HH1 ARG 53 -2.679 -8.965 7.458 550 2HH1 ARG 53 1HH1 ARG 53 -2.022 -9.365 9.010 551 1HH2 ARG 53 2HH2 ARG 53 0.310 -6.725 9.031 552 2HH2 ARG 53 1HH2 ARG 53 -0.310 -8.082 9.910 553 QB ARG 53 QB ARG 53 0.274 -5.796 4.253 554 QG ARG 53 QG ARG 53 -1.298 -4.514 5.700 555 QD ARG 53 QD ARG 53 0.216 -5.668 7.180 556 QH1 ARG 53 QH1 ARG 53 -2.351 -9.165 8.234 557 QH2 ARG 53 QH2 ARG 53 0.000 -7.404 9.471 558 H VAL 54 H VAL 54 1.412 -2.295 2.134 559 HA VAL 54 HA VAL 54 2.128 -4.187 0.056 560 HB VAL 54 HB VAL 54 1.365 -1.663 -0.103 561 1HG1 VAL 54 3HG1 VAL 54 3.632 -1.203 1.288 562 2HG1 VAL 54 1HG1 VAL 54 4.270 -1.088 -0.369 563 3HG1 VAL 54 2HG1 VAL 54 2.930 -0.035 0.143 564 1HG2 VAL 54 1HG2 VAL 54 2.260 -3.457 -1.870 565 2HG2 VAL 54 2HG2 VAL 54 1.966 -1.757 -2.307 566 3HG2 VAL 54 3HG2 VAL 54 3.620 -2.311 -1.951 567 MG1 VAL 54 QG1 VAL 54 3.611 -0.775 0.354 568 MG2 VAL 54 QG2 VAL 54 2.615 -2.508 -2.043 569 QG VAL 54 QQG VAL 54 3.113 -1.642 -0.844 570 HA PRO 55 HA PRO 55 6.038 -4.957 1.737 571 1HB PRO 55 1HB PRO 55 7.354 -5.896 -0.466 572 2HB PRO 55 2HB PRO 55 6.267 -6.881 0.493 573 1HG PRO 55 1HG PRO 55 5.812 -5.669 -2.163 574 2HG PRO 55 2HG PRO 55 4.938 -6.976 -1.389 575 1HD PRO 55 1HD PRO 55 4.077 -4.252 -1.649 576 2HD PRO 55 2HD PRO 55 3.258 -5.531 -0.775 577 QB PRO 55 QB PRO 55 6.810 -6.388 0.014 578 QG PRO 55 QG PRO 55 5.375 -6.322 -1.776 579 QD PRO 55 QD PRO 55 3.667 -4.892 -1.212 580 H PHE 56 H PHE 56 7.845 -3.890 2.346 581 HA PHE 56 HA PHE 56 8.190 -1.324 1.516 582 1HB PHE 56 1HB PHE 56 9.246 -2.888 3.418 583 2HB PHE 56 2HB PHE 56 10.506 -3.188 2.238 584 HD1 PHE 56 HD1 PHE 56 9.551 -1.155 4.909 585 HD2 PHE 56 HD2 PHE 56 11.525 -0.977 1.157 586 HE1 PHE 56 HE1 PHE 56 10.724 0.946 5.625 587 HE2 PHE 56 HE2 PHE 56 12.697 1.123 1.873 588 HZ PHE 56 HZ PHE 56 12.283 2.060 4.098 589 QB PHE 56 QB PHE 56 9.876 -3.038 2.828 590 QD PHE 56 QD PHE 56 10.538 -1.066 3.033 591 QE PHE 56 QE PHE 56 11.710 1.034 3.749 592 QR PHE 56 QR PHE 56 11.356 0.399 3.532 593 H VAL 57 H VAL 57 9.596 -4.330 0.126 594 HA VAL 57 HA VAL 57 11.395 -3.008 -1.590 595 HB VAL 57 HB VAL 57 11.823 -5.247 -1.069 596 1HG1 VAL 57 3HG1 VAL 57 8.919 -5.687 -1.695 597 2HG1 VAL 57 1HG1 VAL 57 10.064 -7.041 -1.855 598 3HG1 VAL 57 2HG1 VAL 57 9.876 -6.214 -0.289 599 1HG2 VAL 57 1HG2 VAL 57 11.902 -4.454 -3.600 600 2HG2 VAL 57 2HG2 VAL 57 12.280 -6.132 -3.140 601 3HG2 VAL 57 3HG2 VAL 57 10.674 -5.729 -3.793 602 MG1 VAL 57 QG1 VAL 57 9.620 -6.314 -1.280 603 MG2 VAL 57 QG2 VAL 57 11.619 -5.439 -3.511 604 QG VAL 57 QQG VAL 57 10.619 -5.876 -2.395 605 H ASN 58 H ASN 58 7.936 -3.401 -1.586 606 HA ASN 58 HA ASN 58 7.917 -2.595 -4.388 607 1HB ASN 58 1HB ASN 58 6.758 -4.823 -3.675 608 2HB ASN 58 2HB ASN 58 5.571 -3.824 -2.863 609 1HD2 ASN 58 1HD2 ASN 58 6.937 -4.810 -5.908 610 2HD2 ASN 58 2HD2 ASN 58 5.700 -4.197 -6.953 611 QB ASN 58 QB ASN 58 6.165 -4.324 -3.269 612 QD ASN 58 QD2 ASN 58 6.318 -4.504 -6.430 613 H VAL 59 H VAL 59 8.002 -1.235 -1.486 614 HA VAL 59 HA VAL 59 5.531 0.192 -1.371 615 HB VAL 59 HB VAL 59 8.088 0.062 0.133 616 1HG1 VAL 59 3HG1 VAL 59 7.900 2.471 -0.279 617 2HG1 VAL 59 1HG1 VAL 59 6.224 2.454 0.319 618 3HG1 VAL 59 2HG1 VAL 59 7.568 2.090 1.428 619 1HG2 VAL 59 2HG2 VAL 59 6.047 -1.263 0.710 620 2HG2 VAL 59 3HG2 VAL 59 6.622 -0.213 2.029 621 3HG2 VAL 59 1HG2 VAL 59 5.206 0.266 1.062 622 MG1 VAL 59 QG1 VAL 59 7.230 2.338 0.489 623 MG2 VAL 59 QG2 VAL 59 5.958 -0.403 1.267 624 QG VAL 59 QQG VAL 59 6.594 0.968 0.878 625 H GLN 60 H GLN 60 8.712 0.597 -2.883 626 HA GLN 60 HA GLN 60 8.417 3.367 -3.297 627 1HB GLN 60 1HB GLN 60 10.598 2.043 -3.267 628 2HB GLN 60 2HB GLN 60 10.177 1.424 -4.851 629 1HG GLN 60 1HG GLN 60 11.397 3.272 -5.525 630 2HG GLN 60 2HG GLN 60 9.825 4.037 -5.394 631 1HE2 GLN 60 1HE2 GLN 60 12.966 3.600 -3.968 632 2HE2 GLN 60 2HE2 GLN 60 12.903 4.888 -2.812 633 QB GLN 60 QB GLN 60 10.388 1.734 -4.059 634 QG GLN 60 QG GLN 60 10.611 3.654 -5.459 635 QE GLN 60 QE2 GLN 60 12.935 4.244 -3.390 636 H ALA 61 H ALA 61 8.314 0.543 -5.599 637 HA ALA 61 HA ALA 61 7.479 1.871 -7.820 638 1HB ALA 61 2HB ALA 61 6.267 -0.420 -8.265 639 2HB ALA 61 1HB ALA 61 7.032 -0.909 -6.734 640 3HB ALA 61 3HB ALA 61 8.039 -0.379 -8.104 641 MB ALA 61 QB ALA 61 7.113 -0.569 -7.701 642 H VAL 62 H VAL 62 5.564 0.823 -4.970 643 HA VAL 62 HA VAL 62 3.078 1.536 -6.181 644 HB VAL 62 HB VAL 62 3.860 0.945 -3.319 645 1HG1 VAL 62 3HG1 VAL 62 1.275 1.670 -4.595 646 2HG1 VAL 62 1HG1 VAL 62 1.237 0.301 -3.458 647 3HG1 VAL 62 2HG1 VAL 62 1.834 1.889 -2.919 648 1HG2 VAL 62 1HG2 VAL 62 4.089 -0.818 -5.286 649 2HG2 VAL 62 2HG2 VAL 62 3.437 -1.282 -3.697 650 3HG2 VAL 62 3HG2 VAL 62 2.330 -0.960 -5.053 651 MG1 VAL 62 QG1 VAL 62 1.449 1.287 -3.657 652 MG2 VAL 62 QG2 VAL 62 3.285 -1.020 -4.679 653 QG VAL 62 QQG VAL 62 2.367 0.133 -4.168 654 H LYS 63 H LYS 63 5.469 3.054 -3.969 655 HA LYS 63 HA LYS 63 3.890 5.259 -3.284 656 1HB LYS 63 1HB LYS 63 5.659 5.056 -1.867 657 2HB LYS 63 2HB LYS 63 6.753 4.485 -3.111 658 1HG LYS 63 1HG LYS 63 7.104 6.715 -3.972 659 2HG LYS 63 2HG LYS 63 5.748 7.360 -3.070 660 1HD LYS 63 1HD LYS 63 7.890 6.035 -1.443 661 2HD LYS 63 2HD LYS 63 8.341 7.539 -2.223 662 1HE LYS 63 1HE LYS 63 5.759 8.018 -1.130 663 2HE LYS 63 2HE LYS 63 6.617 7.117 0.104 664 1HZ LYS 63 2HZ LYS 63 8.491 8.760 -0.422 665 2HZ LYS 63 3HZ LYS 63 7.315 9.686 -1.076 666 3HZ LYS 63 1HZ LYS 63 7.240 9.264 0.500 667 QB LYS 63 QB LYS 63 6.206 4.771 -2.489 668 QD LYS 63 QD LYS 63 8.115 6.787 -1.833 669 QG LYS 63 QG LYS 63 6.426 7.038 -3.521 670 QE LYS 63 QE LYS 63 6.188 7.568 -0.513 671 QZ LYS 63 QZ LYS 63 7.682 9.237 -0.333 672 H VAL 64 H VAL 64 5.801 4.437 -6.160 673 HA VAL 64 HA VAL 64 5.814 7.119 -7.154 674 HB VAL 64 HB VAL 64 6.603 4.407 -8.155 675 1HG1 VAL 64 2HG1 VAL 64 5.802 6.703 -9.816 676 2HG1 VAL 64 3HG1 VAL 64 7.430 6.076 -10.175 677 3HG1 VAL 64 1HG1 VAL 64 6.020 4.991 -10.249 678 1HG2 VAL 64 2HG2 VAL 64 7.932 6.896 -7.234 679 2HG2 VAL 64 3HG2 VAL 64 8.433 5.195 -7.073 680 3HG2 VAL 64 1HG2 VAL 64 8.702 6.061 -8.605 681 MG1 VAL 64 QG1 VAL 64 6.417 5.923 -10.080 682 MG2 VAL 64 QG2 VAL 64 8.356 6.050 -7.638 683 QG VAL 64 QQG VAL 64 7.387 5.987 -8.859 684 H PHE 65 H PHE 65 3.839 4.144 -7.577 685 HA PHE 65 HA PHE 65 2.346 4.978 -9.743 686 1HB PHE 65 1HB PHE 65 2.516 2.733 -8.325 687 2HB PHE 65 2HB PHE 65 1.284 3.452 -7.308 688 HD1 PHE 65 HD1 PHE 65 1.665 3.496 -11.019 689 HD2 PHE 65 HD2 PHE 65 -0.659 2.254 -7.694 690 HE1 PHE 65 HE1 PHE 65 -0.113 2.652 -12.576 691 HE2 PHE 65 HE2 PHE 65 -2.438 1.410 -9.251 692 HZ PHE 65 HZ PHE 65 -2.143 1.619 -11.674 693 QB PHE 65 QB PHE 65 1.900 3.093 -7.817 694 QD PHE 65 QD PHE 65 0.503 2.875 -9.356 695 QE PHE 65 QE PHE 65 -1.275 2.031 -10.914 696 QR PHE 65 QR PHE 65 -0.737 2.286 -10.443 697 H LEU 66 H LEU 66 1.703 5.394 -6.194 698 HA LEU 66 HA LEU 66 -0.744 6.642 -6.438 699 1HB LEU 66 1HB LEU 66 1.447 6.782 -4.383 700 2HB LEU 66 2HB LEU 66 -0.033 7.703 -4.205 701 HG LEU 66 HG LEU 66 -0.633 4.931 -4.812 702 1HD1 LEU 66 1HD1 LEU 66 1.718 4.995 -3.500 703 2HD1 LEU 66 2HD1 LEU 66 0.598 5.069 -2.119 704 3HD1 LEU 66 3HD1 LEU 66 0.496 3.721 -3.276 705 1HD2 LEU 66 2HD2 LEU 66 -1.378 7.015 -2.825 706 2HD2 LEU 66 3HD2 LEU 66 -2.400 5.983 -3.854 707 3HD2 LEU 66 1HD2 LEU 66 -1.664 5.317 -2.377 708 MD1 LEU 66 QD1 LEU 66 0.937 4.595 -2.965 709 MD2 LEU 66 QD2 LEU 66 -1.814 6.105 -3.018 710 QB LEU 66 QB LEU 66 0.707 7.242 -4.294 711 QD LEU 66 QQD LEU 66 -0.438 5.350 -2.992 712 H GLU 67 H GLU 67 2.576 8.099 -6.329 713 HA GLU 67 HA GLU 67 1.637 10.703 -6.615 714 1HB GLU 67 1HB GLU 67 4.274 9.303 -6.811 715 2HB GLU 67 2HB GLU 67 4.175 10.866 -7.596 716 1HG GLU 67 1HG GLU 67 2.922 10.888 -4.924 717 2HG GLU 67 2HG GLU 67 4.607 10.409 -4.856 718 QB GLU 67 QB GLU 67 4.225 10.085 -7.204 719 QG GLU 67 QG GLU 67 3.764 10.648 -4.890 720 H SER 68 H SER 68 2.364 8.097 -8.924 721 HA SER 68 HA SER 68 2.488 9.781 -11.170 722 1HB SER 68 1HB SER 68 2.800 7.825 -12.389 723 2HB SER 68 2HB SER 68 3.296 7.289 -10.796 724 HG SER 68 HG SER 68 0.881 6.720 -12.229 725 QB SER 68 QB SER 68 3.048 7.557 -11.593 726 H GLN 69 H GLN 69 -0.073 7.671 -9.705 727 HA GLN 69 HA GLN 69 -1.969 8.391 -11.666 728 1HB GLN 69 1HB GLN 69 -3.581 7.225 -10.114 729 2HB GLN 69 2HB GLN 69 -2.189 6.255 -10.554 730 1HG GLN 69 1HG GLN 69 -1.266 7.564 -8.282 731 2HG GLN 69 2HG GLN 69 -2.964 7.355 -7.904 732 1HE2 GLN 69 1HE2 GLN 69 -3.304 5.639 -6.735 733 2HE2 GLN 69 2HE2 GLN 69 -2.550 4.087 -6.891 734 QB GLN 69 QB GLN 69 -2.885 6.740 -10.334 735 QG GLN 69 QG GLN 69 -2.115 7.459 -8.093 736 QE GLN 69 QE2 GLN 69 -2.927 4.863 -6.813 737 H GLY 70 H GLY 70 -0.511 10.308 -9.454 738 1HA GLY 70 2HA GLY 70 -2.323 12.399 -9.594 739 2HA GLY 70 1HA GLY 70 -1.020 12.242 -8.431 740 QA GLY 70 QA GLY 70 -1.671 12.320 -9.013 741 H ILE 71 H ILE 71 -1.653 10.178 -6.784 742 HA ILE 71 HA ILE 71 -4.347 10.855 -5.824 743 HB ILE 71 HB ILE 71 -3.913 8.509 -6.685 744 1HG1 ILE 71 1HG1 ILE 71 -4.763 8.332 -3.829 745 2HG1 ILE 71 2HG1 ILE 71 -5.641 9.442 -4.862 746 1HG2 ILE 71 1HG2 ILE 71 -1.617 8.498 -5.428 747 2HG2 ILE 71 2HG2 ILE 71 -2.600 7.956 -4.046 748 3HG2 ILE 71 3HG2 ILE 71 -2.584 7.009 -5.553 749 1HD1 ILE 71 1HD1 ILE 71 -5.561 7.302 -6.533 750 2HD1 ILE 71 2HD1 ILE 71 -5.496 6.455 -4.969 751 3HD1 ILE 71 3HD1 ILE 71 -6.857 7.542 -5.336 752 MG ILE 71 QG2 ILE 71 -2.267 7.821 -5.009 753 MD ILE 71 QD1 ILE 71 -5.971 7.100 -5.613 754 QG ILE 71 QG1 ILE 71 -5.202 8.887 -4.346 755 H ALA 72 H ALA 72 -4.378 10.156 -3.274 756 HA ALA 72 HA ALA 72 -1.976 11.373 -2.095 757 1HB ALA 72 1HB ALA 72 -3.392 13.144 -1.774 758 2HB ALA 72 3HB ALA 72 -3.921 12.164 -0.386 759 3HB ALA 72 2HB ALA 72 -4.855 12.137 -1.901 760 MB ALA 72 QB ALA 72 -4.056 12.482 -1.354 761 H TYR 73 H TYR 73 -1.030 10.086 -0.591 762 HA TYR 73 HA TYR 73 -2.748 8.114 0.745 763 1HB TYR 73 1HB TYR 73 -0.471 6.737 0.552 764 2HB TYR 73 2HB TYR 73 -1.507 6.820 -0.858 765 HD1 TYR 73 HD1 TYR 73 1.789 7.187 0.269 766 HD2 TYR 73 HD2 TYR 73 -1.017 8.937 -2.444 767 HE1 TYR 73 HE1 TYR 73 3.703 8.169 -1.086 768 HE2 TYR 73 HE2 TYR 73 0.905 9.914 -3.791 769 HH TYR 73 HH TYR 73 4.160 8.952 -3.244 770 QB TYR 73 QB TYR 73 -0.989 6.779 -0.153 771 QD TYR 73 QD TYR 73 0.386 8.062 -1.088 772 QE TYR 73 QE TYR 73 2.304 9.041 -2.439 773 QR TYR 73 QR TYR 73 1.345 8.552 -1.763 774 H SER 74 H SER 74 -0.865 6.961 2.421 775 HA SER 74 HA SER 74 0.701 8.986 3.638 776 1HB SER 74 1HB SER 74 -1.838 9.233 4.416 777 2HB SER 74 2HB SER 74 -1.443 7.876 5.452 778 HG SER 74 HG SER 74 -1.028 10.340 6.088 779 QB SER 74 QB SER 74 -1.640 8.554 4.934 780 H ILE 75 H ILE 75 1.861 8.060 5.634 781 HA ILE 75 HA ILE 75 2.246 5.197 5.188 782 HB ILE 75 HB ILE 75 3.992 7.269 6.522 783 1HG1 ILE 75 1HG1 ILE 75 3.931 6.068 3.767 784 2HG1 ILE 75 2HG1 ILE 75 4.092 7.746 4.244 785 1HG2 ILE 75 2HG2 ILE 75 3.991 4.656 7.178 786 2HG2 ILE 75 3HG2 ILE 75 5.082 4.617 5.772 787 3HG2 ILE 75 1HG2 ILE 75 5.453 5.671 7.158 788 1HD1 ILE 75 3HD1 ILE 75 6.335 6.891 5.407 789 2HD1 ILE 75 1HD1 ILE 75 6.177 5.566 4.230 790 3HD1 ILE 75 2HD1 ILE 75 6.299 7.249 3.664 791 MG ILE 75 QG2 ILE 75 4.842 4.981 6.703 792 MD ILE 75 QD1 ILE 75 6.270 6.569 4.433 793 QG ILE 75 QG1 ILE 75 4.012 6.907 4.006 794 H MET 76 H MET 76 1.339 3.783 6.574 795 HA MET 76 HA MET 76 0.206 4.825 8.986 796 1HB MET 76 1HB MET 76 0.088 2.291 7.359 797 2HB MET 76 2HB MET 76 -0.242 2.110 9.071 798 1HG MET 76 1HG MET 76 -2.304 2.557 7.655 799 2HG MET 76 2HG MET 76 -2.088 3.682 8.981 800 1HE MET 76 3HE MET 76 -2.975 5.637 8.618 801 2HE MET 76 1HE MET 76 -1.392 6.440 8.497 802 3HE MET 76 2HE MET 76 -2.670 6.814 7.318 803 QB MET 76 QB MET 76 -0.077 2.200 8.215 804 QG MET 76 QG MET 76 -2.196 3.120 8.318 805 ME MET 76 QE MET 76 -2.345 6.297 8.144 806 H ILE 77 H ILE 77 1.627 1.553 8.811 807 HA ILE 77 HA ILE 77 3.351 2.312 11.059 808 HB ILE 77 HB ILE 77 1.625 0.690 11.591 809 1HG1 ILE 77 1HG1 ILE 77 3.042 -1.009 12.606 810 2HG1 ILE 77 2HG1 ILE 77 4.362 -0.611 11.525 811 1HG2 ILE 77 2HG2 ILE 77 2.774 -0.806 9.244 812 2HG2 ILE 77 3HG2 ILE 77 1.926 -1.656 10.558 813 3HG2 ILE 77 1HG2 ILE 77 1.079 -0.408 9.613 814 1HD1 ILE 77 1HD1 ILE 77 3.275 1.738 12.974 815 2HD1 ILE 77 2HD1 ILE 77 3.987 0.495 14.030 816 3HD1 ILE 77 3HD1 ILE 77 4.964 1.230 12.736 817 MG ILE 77 QG2 ILE 77 1.926 -0.957 9.805 818 MD ILE 77 QD1 ILE 77 4.076 1.154 13.247 819 QG ILE 77 QG1 ILE 77 3.702 -0.810 12.066 820 H GLU 78 H GLU 78 5.559 1.883 10.999 821 HA GLU 78 HA GLU 78 6.525 1.304 8.340 822 1HB GLU 78 1HB GLU 78 8.152 2.166 10.765 823 2HB GLU 78 2HB GLU 78 8.630 2.254 9.081 824 1HG GLU 78 1HG GLU 78 7.760 4.343 8.976 825 2HG GLU 78 2HG GLU 78 6.165 3.663 9.228 826 QB GLU 78 QB GLU 78 8.391 2.210 9.923 827 QG GLU 78 QG GLU 78 6.963 4.003 9.102 828 H ASP 79 H ASP 79 9.202 0.554 9.845 829 HA ASP 79 HA ASP 79 8.620 -2.246 9.772 830 1HB ASP 79 1HB ASP 79 11.067 -0.504 9.857 831 2HB ASP 79 2HB ASP 79 11.242 -2.118 10.516 832 QB ASP 79 QB ASP 79 11.154 -1.311 10.186 833 H VAL 80 H VAL 80 7.181 -2.081 11.784 834 HA VAL 80 HA VAL 80 8.630 -1.576 14.252 835 HB VAL 80 HB VAL 80 6.256 -0.754 13.591 836 1HG1 VAL 80 1HG1 VAL 80 5.484 -3.085 12.988 837 2HG1 VAL 80 2HG1 VAL 80 5.505 -3.462 14.728 838 3HG1 VAL 80 3HG1 VAL 80 4.421 -2.195 14.105 839 1HG2 VAL 80 2HG2 VAL 80 6.937 -1.973 16.284 840 2HG2 VAL 80 3HG2 VAL 80 7.188 -0.293 15.751 841 3HG2 VAL 80 1HG2 VAL 80 5.537 -0.911 15.998 842 MG1 VAL 80 QG1 VAL 80 5.137 -2.914 13.940 843 MG2 VAL 80 QG2 VAL 80 6.554 -1.059 16.011 844 QG VAL 80 QQG VAL 80 5.845 -1.987 14.976 845 H GLN 81 H GLN 81 9.796 -3.216 15.106 846 HA GLN 81 HA GLN 81 9.485 -5.840 14.262 847 1HB GLN 81 1HB GLN 81 11.030 -4.415 16.398 848 2HB GLN 81 2HB GLN 81 10.845 -6.147 16.593 849 1HG GLN 81 1HG GLN 81 11.832 -6.572 14.393 850 2HG GLN 81 2HG GLN 81 11.829 -4.863 14.004 851 1HE2 GLN 81 1HE2 GLN 81 12.811 -6.857 16.795 852 2HE2 GLN 81 2HE2 GLN 81 14.408 -6.211 16.974 853 QB GLN 81 QB GLN 81 10.938 -5.281 16.496 854 QG GLN 81 QG GLN 81 11.830 -5.717 14.199 855 QE GLN 81 QE2 GLN 81 13.609 -6.534 16.885 No H/Q in entry = 855 Start of MODEL 18 1 H MET 1 H MET 1 33.357 -14.981 11.874 2 HA MET 1 HA MET 1 33.557 -12.236 12.283 3 1HB MET 1 1HB MET 1 33.018 -13.210 9.433 4 2HB MET 1 2HB MET 1 32.475 -11.634 9.973 5 1HG MET 1 1HG MET 1 34.539 -10.921 9.274 6 2HG MET 1 2HG MET 1 35.100 -11.561 10.807 7 1HE MET 1 1HE MET 1 36.703 -11.121 8.091 8 2HE MET 1 2HE MET 1 37.564 -11.762 9.511 9 3HE MET 1 3HE MET 1 37.701 -12.587 7.940 10 QB MET 1 QB MET 1 32.747 -12.422 9.703 11 QG MET 1 QG MET 1 34.820 -11.241 10.041 12 ME MET 1 QE MET 1 37.323 -11.823 8.514 13 H ARG 2 H ARG 2 31.218 -11.177 11.689 14 HA ARG 2 HA ARG 2 29.396 -12.932 12.996 15 1HB ARG 2 1HB ARG 2 27.893 -10.944 13.019 16 2HB ARG 2 2HB ARG 2 29.492 -10.529 13.602 17 1HG ARG 2 1HG ARG 2 30.097 -9.495 11.491 18 2HG ARG 2 2HG ARG 2 28.684 -10.150 10.688 19 1HD ARG 2 1HD ARG 2 27.191 -8.750 12.082 20 2HD ARG 2 2HD ARG 2 28.558 -8.162 13.007 21 HE ARG 2 HE ARG 2 27.814 -7.360 10.270 22 1HH1 ARG 2 2HH1 ARG 2 28.939 -5.587 9.367 23 2HH1 ARG 2 1HH1 ARG 2 30.378 -4.997 10.129 24 1HH2 ARG 2 2HH2 ARG 2 30.312 -7.350 12.750 25 2HH2 ARG 2 1HH2 ARG 2 31.165 -6.006 12.066 26 QB ARG 2 QB ARG 2 28.693 -10.736 13.310 27 QG ARG 2 QG ARG 2 29.390 -9.823 11.089 28 QD ARG 2 QD ARG 2 27.874 -8.456 12.544 29 QH1 ARG 2 QH1 ARG 2 29.658 -5.292 9.748 30 QH2 ARG 2 QH2 ARG 2 30.738 -6.678 12.408 31 H SER 3 H SER 3 27.026 -13.044 12.117 32 HA SER 3 HA SER 3 27.235 -13.607 9.275 33 1HB SER 3 1HB SER 3 25.209 -14.566 11.345 34 2HB SER 3 2HB SER 3 25.194 -15.020 9.653 35 HG SER 3 HG SER 3 27.082 -16.196 9.897 36 QB SER 3 QB SER 3 25.201 -14.793 10.499 37 H LEU 4 H LEU 4 24.696 -13.499 8.335 38 HA LEU 4 HA LEU 4 24.197 -10.760 8.123 39 1HB LEU 4 1HB LEU 4 22.592 -11.334 6.605 40 2HB LEU 4 2HB LEU 4 23.660 -12.722 6.544 41 HG LEU 4 HG LEU 4 21.676 -13.269 8.518 42 1HD1 LEU 4 3HD1 LEU 4 20.491 -11.402 7.144 43 2HD1 LEU 4 1HD1 LEU 4 20.309 -12.674 5.912 44 3HD1 LEU 4 2HD1 LEU 4 19.616 -12.902 7.535 45 1HD2 LEU 4 3HD2 LEU 4 23.018 -14.797 6.955 46 2HD2 LEU 4 1HD2 LEU 4 21.320 -15.222 7.278 47 3HD2 LEU 4 2HD2 LEU 4 21.765 -14.442 5.742 48 MD1 LEU 4 QD1 LEU 4 20.139 -12.326 6.864 49 MD2 LEU 4 QD2 LEU 4 22.034 -14.820 6.658 50 QB LEU 4 QB LEU 4 23.126 -12.028 6.575 51 QD LEU 4 QQD LEU 4 21.086 -13.573 6.761 52 H GLU 5 H GLU 5 21.821 -9.884 8.533 53 HA GLU 5 HA GLU 5 21.191 -10.626 11.284 54 1HB GLU 5 1HB GLU 5 22.217 -8.280 10.766 55 2HB GLU 5 2HB GLU 5 20.650 -7.889 10.086 56 1HG GLU 5 1HG GLU 5 19.581 -7.919 12.148 57 2HG GLU 5 2HG GLU 5 20.620 -9.172 12.796 58 QB GLU 5 QB GLU 5 21.434 -8.084 10.426 59 QG GLU 5 QG GLU 5 20.100 -8.545 12.472 60 H THR 6 H THR 6 18.786 -9.667 11.800 61 HA THR 6 HA THR 6 17.020 -11.257 10.378 62 HB THR 6 HB THR 6 15.333 -9.612 11.563 63 HG1 THR 6 HG1 THR 6 16.676 -8.368 13.194 64 1HG2 THR 6 1HG2 THR 6 17.492 -11.249 12.949 65 2HG2 THR 6 2HG2 THR 6 16.327 -10.307 13.911 66 3HG2 THR 6 3HG2 THR 6 15.749 -11.591 12.823 67 MG THR 6 QG2 THR 6 16.523 -11.049 13.227 68 H PHE 7 H PHE 7 14.790 -9.775 9.682 69 HA PHE 7 HA PHE 7 15.793 -8.107 7.489 70 1HB PHE 7 1HB PHE 7 14.968 -10.642 7.092 71 2HB PHE 7 2HB PHE 7 13.369 -9.957 7.300 72 HD1 PHE 7 HD1 PHE 7 16.322 -8.467 5.594 73 HD2 PHE 7 HD2 PHE 7 12.421 -10.084 5.179 74 HE1 PHE 7 HE1 PHE 7 16.298 -7.788 3.177 75 HE2 PHE 7 HE2 PHE 7 12.396 -9.405 2.762 76 HZ PHE 7 HZ PHE 7 14.335 -8.265 1.790 77 QB PHE 7 QB PHE 7 14.168 -10.300 7.196 78 QD PHE 7 QD PHE 7 14.372 -9.276 5.386 79 QE PHE 7 QE PHE 7 14.347 -8.597 2.970 80 QR PHE 7 QR PHE 7 14.354 -8.802 3.700 81 H VAL 8 H VAL 8 13.384 -7.352 6.348 82 HA VAL 8 HA VAL 8 12.240 -5.794 8.533 83 HB VAL 8 HB VAL 8 13.244 -4.870 6.328 84 1HG1 VAL 8 3HG1 VAL 8 11.303 -6.520 5.207 85 2HG1 VAL 8 1HG1 VAL 8 10.602 -4.889 5.082 86 3HG1 VAL 8 2HG1 VAL 8 12.202 -5.226 4.378 87 1HG2 VAL 8 2HG2 VAL 8 10.869 -4.046 7.887 88 2HG2 VAL 8 3HG2 VAL 8 12.362 -3.154 7.504 89 3HG2 VAL 8 1HG2 VAL 8 11.050 -3.252 6.304 90 MG1 VAL 8 QG1 VAL 8 11.369 -5.545 4.889 91 MG2 VAL 8 QG2 VAL 8 11.427 -3.484 7.232 92 QG VAL 8 QQG VAL 8 11.398 -4.514 6.060 93 H GLY 9 H GLY 9 9.806 -5.272 6.806 94 1HA GLY 9 2HA GLY 9 7.971 -6.881 7.971 95 2HA GLY 9 1HA GLY 9 8.480 -7.825 6.585 96 QA GLY 9 QA GLY 9 8.225 -7.353 7.278 97 H ASP 10 H ASP 10 5.879 -7.130 6.536 98 HA ASP 10 HA ASP 10 5.745 -5.546 4.230 99 1HB ASP 10 1HB ASP 10 3.818 -6.978 6.034 100 2HB ASP 10 2HB ASP 10 3.142 -5.711 5.029 101 QB ASP 10 QB ASP 10 3.480 -6.344 5.532 102 H GLN 11 H GLN 11 3.574 -3.866 4.395 103 HA GLN 11 HA GLN 11 3.508 -2.386 6.789 104 1HB GLN 11 1HB GLN 11 5.732 -1.660 5.776 105 2HB GLN 11 2HB GLN 11 4.836 -0.989 4.428 106 1HG GLN 11 1HG GLN 11 3.466 0.326 6.212 107 2HG GLN 11 2HG GLN 11 4.713 -0.143 7.351 108 1HE2 GLN 11 1HE2 GLN 11 3.885 1.773 4.590 109 2HE2 GLN 11 2HE2 GLN 11 5.315 2.745 4.507 110 QB GLN 11 QB GLN 11 5.284 -1.325 5.102 111 QG GLN 11 QG GLN 11 4.090 0.091 6.781 112 QE GLN 11 QE2 GLN 11 4.600 2.259 4.548 113 H VAL 12 H VAL 12 1.704 -0.961 6.817 114 HA VAL 12 HA VAL 12 -0.004 -1.241 4.466 115 HB VAL 12 HB VAL 12 -0.929 -0.038 7.029 116 1HG1 VAL 12 2HG1 VAL 12 -2.126 -0.921 4.665 117 2HG1 VAL 12 3HG1 VAL 12 -2.511 -2.185 5.857 118 3HG1 VAL 12 1HG1 VAL 12 -2.950 -0.491 6.184 119 1HG2 VAL 12 2HG2 VAL 12 0.180 -2.782 6.763 120 2HG2 VAL 12 3HG2 VAL 12 0.014 -1.742 8.197 121 3HG2 VAL 12 1HG2 VAL 12 -1.392 -2.643 7.583 122 MG1 VAL 12 QG1 VAL 12 -2.529 -1.199 5.568 123 MG2 VAL 12 QG2 VAL 12 -0.399 -2.389 7.514 124 QG VAL 12 QQG VAL 12 -1.464 -1.794 6.541 125 H LEU 13 H LEU 13 -1.451 0.773 4.033 126 HA LEU 13 HA LEU 13 -0.172 3.276 4.653 127 1HB LEU 13 1HB LEU 13 0.590 3.874 2.594 128 2HB LEU 13 2HB LEU 13 1.016 2.175 2.637 129 HG LEU 13 HG LEU 13 -1.542 2.213 1.502 130 1HD1 LEU 13 2HD1 LEU 13 0.072 4.601 0.635 131 2HD1 LEU 13 3HD1 LEU 13 -1.044 3.785 -0.488 132 3HD1 LEU 13 1HD1 LEU 13 -1.661 4.486 1.028 133 1HD2 LEU 13 1HD2 LEU 13 0.858 1.055 1.000 134 2HD2 LEU 13 2HD2 LEU 13 -0.540 0.989 -0.098 135 3HD2 LEU 13 3HD2 LEU 13 0.746 2.190 -0.367 136 MD1 LEU 13 QD1 LEU 13 -0.878 4.290 0.391 137 MD2 LEU 13 QD2 LEU 13 0.355 1.411 0.178 138 QB LEU 13 QB LEU 13 0.803 3.025 2.616 139 QD LEU 13 QQD LEU 13 -0.262 2.851 0.285 140 H GLU 14 H GLU 14 -1.591 5.054 4.374 141 HA GLU 14 HA GLU 14 -4.326 4.179 3.974 142 1HB GLU 14 1HB GLU 14 -3.622 6.931 4.980 143 2HB GLU 14 2HB GLU 14 -4.993 5.919 5.391 144 1HG GLU 14 1HG GLU 14 -3.390 4.336 6.574 145 2HG GLU 14 2HG GLU 14 -2.100 5.482 6.268 146 QB GLU 14 QB GLU 14 -4.308 6.425 5.186 147 QG GLU 14 QG GLU 14 -2.745 4.909 6.421 148 H ILE 15 H ILE 15 -5.373 4.647 2.089 149 HA ILE 15 HA ILE 15 -4.245 6.828 0.475 150 HB ILE 15 HB ILE 15 -5.753 4.411 -0.517 151 1HG1 ILE 15 1HG1 ILE 15 -2.756 4.799 -0.643 152 2HG1 ILE 15 2HG1 ILE 15 -3.533 3.907 0.649 153 1HG2 ILE 15 2HG2 ILE 15 -4.523 6.809 -1.776 154 2HG2 ILE 15 3HG2 ILE 15 -4.324 5.253 -2.616 155 3HG2 ILE 15 1HG2 ILE 15 -5.955 5.864 -2.247 156 1HD1 ILE 15 3HD1 ILE 15 -4.757 2.760 -1.521 157 2HD1 ILE 15 1HD1 ILE 15 -3.168 3.167 -2.213 158 3HD1 ILE 15 2HD1 ILE 15 -3.273 2.126 -0.772 159 MG ILE 15 QG2 ILE 15 -4.934 5.975 -2.213 160 MD ILE 15 QD1 ILE 15 -3.733 2.684 -1.502 161 QG ILE 15 QG1 ILE 15 -3.144 4.353 0.003 162 H VAL 16 H VAL 16 -5.634 8.400 -0.348 163 HA VAL 16 HA VAL 16 -8.435 8.127 0.495 164 HB VAL 16 HB VAL 16 -6.675 10.585 0.587 165 1HG1 VAL 16 1HG1 VAL 16 -9.617 10.200 0.722 166 2HG1 VAL 16 2HG1 VAL 16 -8.910 11.282 1.946 167 3HG1 VAL 16 3HG1 VAL 16 -8.664 11.615 0.215 168 1HG2 VAL 16 2HG2 VAL 16 -6.902 8.504 2.438 169 2HG2 VAL 16 3HG2 VAL 16 -6.244 10.132 2.733 170 3HG2 VAL 16 1HG2 VAL 16 -7.957 9.788 3.077 171 MG1 VAL 16 QG1 VAL 16 -9.063 11.032 0.961 172 MG2 VAL 16 QG2 VAL 16 -7.034 9.475 2.749 173 QG VAL 16 QQG VAL 16 -8.049 10.253 1.855 174 HA PRO 17 HA PRO 17 -8.463 8.752 -3.916 175 1HB PRO 17 1HB PRO 17 -10.644 7.189 -4.436 176 2HB PRO 17 2HB PRO 17 -9.002 6.578 -4.456 177 1HG PRO 17 1HG PRO 17 -11.097 6.190 -2.408 178 2HG PRO 17 2HG PRO 17 -9.629 5.268 -2.665 179 1HD PRO 17 1HD PRO 17 -10.091 7.229 -0.622 180 2HD PRO 17 2HD PRO 17 -8.585 6.392 -0.952 181 QB PRO 17 QB PRO 17 -9.823 6.884 -4.446 182 QG PRO 17 QG PRO 17 -10.363 5.729 -2.536 183 QD PRO 17 QD PRO 17 -9.338 6.811 -0.787 184 H SER 18 H SER 18 -10.556 9.182 -5.464 185 HA SER 18 HA SER 18 -12.689 10.413 -4.289 186 1HB SER 18 1HB SER 18 -11.227 12.093 -3.341 187 2HB SER 18 2HB SER 18 -10.383 12.314 -4.860 188 HG SER 18 HG SER 18 -12.277 13.256 -5.774 189 QB SER 18 QB SER 18 -10.805 12.203 -4.101 190 H ASN 19 H ASN 19 -10.262 10.347 -6.914 191 HA ASN 19 HA ASN 19 -12.365 11.035 -8.794 192 1HB ASN 19 1HB ASN 19 -9.322 11.014 -8.939 193 2HB ASN 19 2HB ASN 19 -10.270 11.028 -10.413 194 1HD2 ASN 19 1HD2 ASN 19 -8.466 13.028 -9.300 195 2HD2 ASN 19 2HD2 ASN 19 -9.362 14.500 -9.132 196 QB ASN 19 QB ASN 19 -9.796 11.021 -9.676 197 QD ASN 19 QD2 ASN 19 -8.914 13.764 -9.216 198 H GLU 20 H GLU 20 -13.006 9.492 -10.392 199 HA GLU 20 HA GLU 20 -12.760 6.851 -9.818 200 1HB GLU 20 1HB GLU 20 -13.583 8.443 -12.214 201 2HB GLU 20 2HB GLU 20 -13.242 6.749 -12.501 202 1HG GLU 20 1HG GLU 20 -15.418 6.445 -11.847 203 2HG GLU 20 2HG GLU 20 -14.753 6.529 -10.229 204 QB GLU 20 QB GLU 20 -13.413 7.596 -12.358 205 QG GLU 20 QG GLU 20 -15.086 6.487 -11.038 206 H GLU 21 H GLU 21 -10.623 8.958 -11.753 207 HA GLU 21 HA GLU 21 -9.218 6.992 -13.067 208 1HB GLU 21 1HB GLU 21 -8.829 9.180 -13.823 209 2HB GLU 21 2HB GLU 21 -8.618 9.820 -12.206 210 1HG GLU 21 1HG GLU 21 -6.639 7.746 -13.118 211 2HG GLU 21 2HG GLU 21 -6.529 9.329 -13.861 212 QB GLU 21 QB GLU 21 -8.724 9.500 -13.014 213 QG GLU 21 QG GLU 21 -6.584 8.538 -13.489 214 H GLN 22 H GLN 22 -8.968 8.257 -9.732 215 HA GLN 22 HA GLN 22 -6.494 7.012 -9.220 216 1HB GLN 22 1HB GLN 22 -8.628 8.348 -7.553 217 2HB GLN 22 2HB GLN 22 -7.383 7.419 -6.742 218 1HG GLN 22 1HG GLN 22 -5.615 8.775 -7.825 219 2HG GLN 22 2HG GLN 22 -6.818 9.655 -8.745 220 1HE2 GLN 22 1HE2 GLN 22 -5.697 11.469 -7.694 221 2HE2 GLN 22 2HE2 GLN 22 -6.245 12.018 -6.145 222 QB GLN 22 QB GLN 22 -8.006 7.884 -7.147 223 QG GLN 22 QG GLN 22 -6.217 9.215 -8.285 224 QE GLN 22 QE2 GLN 22 -5.971 11.743 -6.919 225 H ILE 23 H ILE 23 -9.955 6.168 -8.645 226 HA ILE 23 HA ILE 23 -9.324 3.775 -7.249 227 HB ILE 23 HB ILE 23 -11.772 5.100 -8.313 228 1HG1 ILE 23 1HG1 ILE 23 -11.035 3.972 -5.596 229 2HG1 ILE 23 2HG1 ILE 23 -10.852 5.646 -6.079 230 1HG2 ILE 23 1HG2 ILE 23 -12.033 2.777 -9.044 231 2HG2 ILE 23 2HG2 ILE 23 -11.709 2.215 -7.386 232 3HG2 ILE 23 3HG2 ILE 23 -13.163 3.183 -7.730 233 1HD1 ILE 23 2HD1 ILE 23 -13.356 5.671 -6.609 234 2HD1 ILE 23 3HD1 ILE 23 -13.450 4.072 -5.833 235 3HD1 ILE 23 1HD1 ILE 23 -12.943 5.493 -4.887 236 MG ILE 23 QG2 ILE 23 -12.302 2.725 -8.053 237 MD ILE 23 QD1 ILE 23 -13.250 5.078 -5.777 238 QG ILE 23 QG1 ILE 23 -10.944 4.809 -5.838 239 H LYS 24 H LYS 24 -9.845 4.720 -10.645 240 HA LYS 24 HA LYS 24 -10.147 2.071 -11.598 241 1HB LYS 24 1HB LYS 24 -9.799 4.790 -12.766 242 2HB LYS 24 2HB LYS 24 -9.356 3.434 -13.781 243 1HG LYS 24 1HG LYS 24 -11.678 2.422 -13.002 244 2HG LYS 24 2HG LYS 24 -12.057 4.075 -12.563 245 1HD LYS 24 1HD LYS 24 -12.801 4.110 -14.759 246 2HD LYS 24 2HD LYS 24 -11.140 4.595 -15.030 247 1HE LYS 24 1HE LYS 24 -10.486 2.398 -15.738 248 2HE LYS 24 2HE LYS 24 -11.919 1.656 -15.055 249 1HZ LYS 24 2HZ LYS 24 -12.002 3.588 -17.265 250 2HZ LYS 24 3HZ LYS 24 -11.992 1.968 -17.475 251 3HZ LYS 24 1HZ LYS 24 -13.242 2.684 -16.706 252 QB LYS 24 QB LYS 24 -9.577 4.112 -13.273 253 QD LYS 24 QD LYS 24 -11.971 4.352 -14.894 254 QG LYS 24 QG LYS 24 -11.868 3.249 -12.783 255 QE LYS 24 QE LYS 24 -11.203 2.027 -15.397 256 QZ LYS 24 QZ LYS 24 -12.412 2.747 -17.149 257 H ASN 25 H ASN 25 -7.472 3.893 -10.382 258 HA ASN 25 HA ASN 25 -5.532 2.560 -11.978 259 1HB ASN 25 1HB ASN 25 -5.549 4.567 -9.739 260 2HB ASN 25 2HB ASN 25 -4.099 3.591 -9.875 261 1HD2 ASN 25 1HD2 ASN 25 -5.389 6.425 -10.710 262 2HD2 ASN 25 2HD2 ASN 25 -4.576 6.775 -12.198 263 QB ASN 25 QB ASN 25 -4.824 4.079 -9.807 264 QD ASN 25 QD2 ASN 25 -4.982 6.600 -11.454 265 H LEU 26 H LEU 26 -6.899 2.409 -8.634 266 HA LEU 26 HA LEU 26 -5.129 0.550 -7.574 267 1HB LEU 26 1HB LEU 26 -7.054 2.043 -6.562 268 2HB LEU 26 2HB LEU 26 -8.010 0.591 -6.785 269 HG LEU 26 HG LEU 26 -5.450 0.049 -5.470 270 1HD1 LEU 26 3HD1 LEU 26 -7.221 2.209 -4.400 271 2HD1 LEU 26 1HD1 LEU 26 -6.477 1.061 -3.260 272 3HD1 LEU 26 2HD1 LEU 26 -5.450 2.037 -4.338 273 1HD2 LEU 26 1HD2 LEU 26 -8.356 -0.513 -4.833 274 2HD2 LEU 26 2HD2 LEU 26 -7.151 -1.624 -5.528 275 3HD2 LEU 26 3HD2 LEU 26 -6.990 -1.078 -3.842 276 MD1 LEU 26 QD1 LEU 26 -6.383 1.769 -4.000 277 MD2 LEU 26 QD2 LEU 26 -7.499 -1.071 -4.734 278 QB LEU 26 QB LEU 26 -7.532 1.317 -6.673 279 QD LEU 26 QQD LEU 26 -6.941 0.349 -4.367 280 H LEU 27 H LEU 27 -8.481 -0.055 -8.855 281 HA LEU 27 HA LEU 27 -8.429 -2.763 -8.789 282 1HB LEU 27 1HB LEU 27 -9.784 -0.727 -10.476 283 2HB LEU 27 2HB LEU 27 -9.848 -2.389 -11.027 284 HG LEU 27 HG LEU 27 -10.494 -2.261 -8.210 285 1HD1 LEU 27 2HD1 LEU 27 -11.150 0.085 -8.886 286 2HD1 LEU 27 3HD1 LEU 27 -12.366 -0.651 -9.955 287 3HD1 LEU 27 1HD1 LEU 27 -12.448 -0.919 -8.197 288 1HD2 LEU 27 2HD2 LEU 27 -11.022 -4.091 -9.818 289 2HD2 LEU 27 3HD2 LEU 27 -12.422 -3.520 -8.879 290 3HD2 LEU 27 1HD2 LEU 27 -12.225 -3.020 -10.576 291 MD1 LEU 27 QD1 LEU 27 -11.988 -0.495 -9.013 292 MD2 LEU 27 QD2 LEU 27 -11.890 -3.543 -9.758 293 QB LEU 27 QB LEU 27 -9.816 -1.558 -10.751 294 QD LEU 27 QQD LEU 27 -11.939 -2.019 -9.385 295 H GLN 28 H GLN 28 -7.238 -0.650 -11.487 296 HA GLN 28 HA GLN 28 -6.433 -2.713 -13.109 297 1HB GLN 28 1HB GLN 28 -6.543 -0.057 -13.412 298 2HB GLN 28 2HB GLN 28 -4.838 -0.156 -13.016 299 1HG GLN 28 1HG GLN 28 -5.440 -2.248 -14.920 300 2HG GLN 28 2HG GLN 28 -6.118 -0.750 -15.526 301 1HE2 GLN 28 1HE2 GLN 28 -4.845 0.501 -16.650 302 2HE2 GLN 28 2HE2 GLN 28 -3.115 0.551 -16.608 303 QB GLN 28 QB GLN 28 -5.691 -0.106 -13.214 304 QG GLN 28 QG GLN 28 -5.779 -1.499 -15.223 305 QE GLN 28 QE2 GLN 28 -3.980 0.526 -16.629 306 H LEU 29 H LEU 29 -4.820 -1.133 -10.331 307 HA LEU 29 HA LEU 29 -2.280 -2.261 -10.785 308 1HB LEU 29 1HB LEU 29 -2.314 -0.381 -9.442 309 2HB LEU 29 2HB LEU 29 -3.677 -0.942 -8.492 310 HG LEU 29 HG LEU 29 -2.177 -2.689 -7.483 311 1HD1 LEU 29 3HD1 LEU 29 -0.188 -1.330 -9.259 312 2HD1 LEU 29 1HD1 LEU 29 0.344 -1.956 -7.679 313 3HD1 LEU 29 2HD1 LEU 29 -0.390 -3.055 -8.873 314 1HD2 LEU 29 1HD2 LEU 29 -1.585 0.251 -7.113 315 2HD2 LEU 29 2HD2 LEU 29 -2.655 -0.800 -6.154 316 3HD2 LEU 29 3HD2 LEU 29 -0.891 -1.014 -6.070 317 MD1 LEU 29 QD1 LEU 29 -0.078 -2.114 -8.604 318 MD2 LEU 29 QD2 LEU 29 -1.710 -0.521 -6.446 319 QB LEU 29 QB LEU 29 -2.995 -0.661 -8.967 320 QD LEU 29 QQD LEU 29 -0.894 -1.317 -7.525 321 H GLU 30 H GLU 30 -4.830 -3.131 -8.338 322 HA GLU 30 HA GLU 30 -3.712 -5.346 -7.364 323 1HB GLU 30 1HB GLU 30 -6.075 -4.179 -6.982 324 2HB GLU 30 2HB GLU 30 -6.652 -5.441 -8.052 325 1HG GLU 30 1HG GLU 30 -5.001 -6.856 -6.300 326 2HG GLU 30 2HG GLU 30 -5.697 -5.636 -5.252 327 QB GLU 30 QB GLU 30 -6.363 -4.810 -7.517 328 QG GLU 30 QG GLU 30 -5.349 -6.246 -5.776 329 H ALA 31 H ALA 31 -4.965 -4.875 -10.619 330 HA ALA 31 HA ALA 31 -5.295 -7.632 -11.227 331 1HB ALA 31 2HB ALA 31 -5.932 -6.861 -13.318 332 2HB ALA 31 3HB ALA 31 -6.234 -5.408 -12.336 333 3HB ALA 31 1HB ALA 31 -4.748 -5.533 -13.309 334 MB ALA 31 QB ALA 31 -5.638 -5.934 -12.988 335 H GLN 32 H GLN 32 -2.710 -5.157 -11.786 336 HA GLN 32 HA GLN 32 -1.011 -6.440 -13.330 337 1HB GLN 32 1HB GLN 32 -0.648 -4.653 -10.954 338 2HB GLN 32 2HB GLN 32 0.790 -5.470 -11.532 339 1HG GLN 32 1HG GLN 32 -1.074 -3.910 -13.376 340 2HG GLN 32 2HG GLN 32 0.306 -3.177 -12.582 341 1HE2 GLN 32 1HE2 GLN 32 1.647 -2.797 -14.211 342 2HE2 GLN 32 2HE2 GLN 32 2.299 -3.978 -15.298 343 QB GLN 32 QB GLN 32 0.071 -5.062 -11.243 344 QG GLN 32 QG GLN 32 -0.384 -3.543 -12.979 345 QE GLN 32 QE2 GLN 32 1.973 -3.387 -14.754 346 H GLU 33 H GLU 33 -0.259 -8.508 -13.410 347 HA GLU 33 HA GLU 33 -0.449 -10.183 -11.177 348 1HB GLU 33 1HB GLU 33 0.679 -10.418 -13.964 349 2HB GLU 33 2HB GLU 33 1.080 -11.661 -12.796 350 1HG GLU 33 1HG GLU 33 -1.490 -11.757 -12.305 351 2HG GLU 33 2HG GLU 33 -1.675 -10.855 -13.797 352 QB GLU 33 QB GLU 33 0.880 -11.040 -13.380 353 QG GLU 33 QG GLU 33 -1.583 -11.306 -13.051 354 H HIS 34 H HIS 34 0.849 -8.434 -9.831 355 HA HIS 34 HA HIS 34 3.266 -9.600 -9.134 356 1HB HIS 34 1HB HIS 34 4.909 -8.026 -9.877 357 2HB HIS 34 2HB HIS 34 4.047 -8.635 -11.277 358 HD1 HIS 34 HD1 HIS 34 4.504 -5.513 -9.200 359 HD2 HIS 34 HD2 HIS 34 2.558 -6.725 -12.712 360 HE1 HIS 34 HE1 HIS 34 3.736 -3.377 -10.365 361 HE2 HIS 34 HE2 HIS 34 2.596 -4.183 -12.543 362 QB HIS 34 QB HIS 34 4.478 -8.331 -10.577 363 H LEU 35 H LEU 35 1.244 -6.637 -9.317 364 HA LEU 35 HA LEU 35 2.075 -5.986 -6.589 365 1HB LEU 35 1HB LEU 35 1.044 -4.447 -8.910 366 2HB LEU 35 2HB LEU 35 0.544 -3.911 -7.318 367 HG LEU 35 HG LEU 35 3.429 -4.283 -8.167 368 1HD1 LEU 35 1HD1 LEU 35 1.856 -2.396 -9.222 369 2HD1 LEU 35 2HD1 LEU 35 2.299 -1.570 -7.707 370 3HD1 LEU 35 3HD1 LEU 35 3.570 -2.118 -8.828 371 1HD2 LEU 35 3HD2 LEU 35 2.102 -3.534 -5.616 372 2HD2 LEU 35 1HD2 LEU 35 3.637 -4.384 -5.914 373 3HD2 LEU 35 2HD2 LEU 35 3.555 -2.613 -6.074 374 MD1 LEU 35 QD1 LEU 35 2.575 -2.028 -8.585 375 MD2 LEU 35 QD2 LEU 35 3.098 -3.510 -5.868 376 QB LEU 35 QB LEU 35 0.794 -4.179 -8.114 377 QD LEU 35 QQD LEU 35 2.837 -2.769 -7.227 378 H GLN 36 H GLN 36 0.563 -8.328 -6.836 379 HA GLN 36 HA GLN 36 -2.179 -7.811 -6.667 380 1HB GLN 36 1HB GLN 36 -1.487 -10.021 -7.265 381 2HB GLN 36 2HB GLN 36 -0.426 -10.161 -5.878 382 1HG GLN 36 1HG GLN 36 -3.107 -9.590 -4.933 383 2HG GLN 36 2HG GLN 36 -3.191 -10.919 -6.073 384 1HE2 GLN 36 1HE2 GLN 36 -3.845 -12.081 -4.126 385 2HE2 GLN 36 2HE2 GLN 36 -2.641 -12.792 -3.105 386 QB GLN 36 QB GLN 36 -0.957 -10.091 -6.572 387 QG GLN 36 QG GLN 36 -3.149 -10.255 -5.503 388 QE GLN 36 QE2 GLN 36 -3.243 -12.437 -3.616 389 H LEU 37 H LEU 37 -1.782 -5.848 -5.138 390 HA LEU 37 HA LEU 37 -1.148 -6.434 -2.434 391 1HB LEU 37 1HB LEU 37 -2.668 -3.993 -3.192 392 2HB LEU 37 2HB LEU 37 -1.334 -4.191 -2.072 393 HG LEU 37 HG LEU 37 -0.155 -4.770 -4.506 394 1HD1 LEU 37 1HD1 LEU 37 -2.243 -4.025 -5.646 395 2HD1 LEU 37 2HD1 LEU 37 -1.989 -2.402 -4.959 396 3HD1 LEU 37 3HD1 LEU 37 -0.797 -3.087 -6.090 397 1HD2 LEU 37 1HD2 LEU 37 -0.090 -2.662 -2.497 398 2HD2 LEU 37 2HD2 LEU 37 1.236 -3.421 -3.409 399 3HD2 LEU 37 3HD2 LEU 37 0.331 -2.064 -4.119 400 MD1 LEU 37 QD1 LEU 37 -1.677 -3.171 -5.565 401 MD2 LEU 37 QD2 LEU 37 0.492 -2.716 -3.342 402 QB LEU 37 QB LEU 37 -2.001 -4.092 -2.632 403 QD LEU 37 QQD LEU 37 -0.592 -2.944 -4.453 404 H ASP 38 H ASP 38 -2.768 -5.848 -0.621 405 HA ASP 38 HA ASP 38 -5.377 -6.896 -1.392 406 1HB ASP 38 1HB ASP 38 -3.723 -8.397 0.027 407 2HB ASP 38 2HB ASP 38 -4.156 -7.335 1.351 408 QB ASP 38 QB ASP 38 -3.939 -7.866 0.689 409 H PHE 39 H PHE 39 -6.851 -5.219 -1.079 410 HA PHE 39 HA PHE 39 -6.201 -3.181 0.889 411 1HB PHE 39 1HB PHE 39 -8.681 -3.234 -0.862 412 2HB PHE 39 2HB PHE 39 -7.691 -1.855 -0.430 413 HD1 PHE 39 HD1 PHE 39 -8.448 -4.208 -2.962 414 HD2 PHE 39 HD2 PHE 39 -5.307 -1.777 -1.466 415 HE1 PHE 39 HE1 PHE 39 -7.282 -4.350 -5.180 416 HE2 PHE 39 HE2 PHE 39 -4.142 -1.919 -3.684 417 HZ PHE 39 HZ PHE 39 -5.142 -3.204 -5.515 418 QB PHE 39 QB PHE 39 -8.186 -2.545 -0.646 419 QD PHE 39 QD PHE 39 -6.878 -2.993 -2.214 420 QE PHE 39 QE PHE 39 -5.712 -3.134 -4.432 421 QR PHE 39 QR PHE 39 -6.064 -3.092 -3.761 422 H TRP 40 H TRP 40 -6.976 -3.377 2.932 423 HA TRP 40 HA TRP 40 -8.737 -5.303 3.769 424 1HB TRP 40 1HB TRP 40 -8.231 -2.586 4.994 425 2HB TRP 40 2HB TRP 40 -8.977 -3.949 5.804 426 HD1 TRP 40 HD1 TRP 40 -6.145 -5.167 3.694 427 HE1 TRP 40 HE1 TRP 40 -3.969 -5.696 5.092 428 HE3 TRP 40 HE3 TRP 40 -7.698 -2.879 7.960 429 HZ2 TRP 40 HZ2 TRP 40 -3.161 -5.111 7.765 430 HZ3 TRP 40 HZ3 TRP 40 -6.155 -2.902 9.918 431 HH2 TRP 40 HH2 TRP 40 -3.956 -3.968 9.869 432 QB TRP 40 QB TRP 40 -8.604 -3.268 5.399 433 H LYS 41 H LYS 41 -9.379 -1.810 2.985 434 HA LYS 41 HA LYS 41 -12.194 -2.572 2.623 435 1HB LYS 41 1HB LYS 41 -12.863 -0.439 3.431 436 2HB LYS 41 2HB LYS 41 -11.730 -1.094 4.596 437 1HG LYS 41 1HG LYS 41 -9.942 0.227 3.079 438 2HG LYS 41 2HG LYS 41 -11.350 1.176 2.646 439 1HD LYS 41 1HD LYS 41 -10.540 0.614 5.535 440 2HD LYS 41 2HD LYS 41 -10.029 2.042 4.656 441 1HE LYS 41 1HE LYS 41 -11.955 3.014 5.389 442 2HE LYS 41 2HE LYS 41 -12.781 2.028 4.199 443 1HZ LYS 41 2HZ LYS 41 -12.262 0.500 6.481 444 2HZ LYS 41 3HZ LYS 41 -13.013 1.880 6.927 445 3HZ LYS 41 1HZ LYS 41 -13.704 0.894 5.824 446 QB LYS 41 QB LYS 41 -12.297 -0.767 4.014 447 QD LYS 41 QD LYS 41 -10.285 1.328 5.095 448 QG LYS 41 QG LYS 41 -10.646 0.702 2.862 449 QE LYS 41 QE LYS 41 -12.368 2.521 4.794 450 QZ LYS 41 QZ LYS 41 -12.993 1.091 6.411 451 H SER 42 H SER 42 -11.729 -3.185 0.411 452 HA SER 42 HA SER 42 -10.378 -1.928 -1.448 453 1HB SER 42 1HB SER 42 -12.182 -2.615 -3.091 454 2HB SER 42 2HB SER 42 -11.662 -3.886 -2.003 455 HG SER 42 HG SER 42 -13.893 -3.973 -1.959 456 QB SER 42 QB SER 42 -11.922 -3.251 -2.547 457 HA PRO 43 HA PRO 43 -12.042 2.106 -1.714 458 1HB PRO 43 1HB PRO 43 -10.590 3.017 -3.843 459 2HB PRO 43 2HB PRO 43 -9.978 3.003 -2.201 460 1HG PRO 43 1HG PRO 43 -9.304 1.202 -4.447 461 2HG PRO 43 2HG PRO 43 -8.420 1.480 -2.959 462 1HD PRO 43 1HD PRO 43 -10.059 -0.790 -3.582 463 2HD PRO 43 2HD PRO 43 -9.269 -0.455 -2.054 464 QB PRO 43 QB PRO 43 -10.284 3.010 -3.022 465 QG PRO 43 QG PRO 43 -8.862 1.341 -3.703 466 QD PRO 43 QD PRO 43 -9.664 -0.623 -2.818 467 H THR 44 H THR 44 -13.915 0.411 -2.432 468 HA THR 44 HA THR 44 -14.633 0.310 -5.078 469 HB THR 44 HB THR 44 -16.053 0.251 -2.411 470 HG1 THR 44 HG1 THR 44 -15.078 -1.665 -3.253 471 1HG2 THR 44 1HG2 THR 44 -17.331 0.883 -5.020 472 2HG2 THR 44 2HG2 THR 44 -17.958 -0.600 -4.260 473 3HG2 THR 44 3HG2 THR 44 -18.023 0.946 -3.381 474 MG THR 44 QG2 THR 44 -17.771 0.410 -4.220 475 H THR 45 H THR 45 -15.778 2.797 -2.691 476 HA THR 45 HA THR 45 -16.183 4.564 -5.017 477 HB THR 45 HB THR 45 -18.123 5.429 -3.873 478 HG1 THR 45 HG1 THR 45 -18.244 5.176 -1.625 479 1HG2 THR 45 2HG2 THR 45 -17.982 2.664 -4.400 480 2HG2 THR 45 3HG2 THR 45 -18.573 2.748 -2.722 481 3HG2 THR 45 1HG2 THR 45 -19.464 3.575 -4.023 482 MG THR 45 QG2 THR 45 -18.673 2.995 -3.715 483 HA PRO 46 HA PRO 46 -13.533 7.409 -3.208 484 1HB PRO 46 1HB PRO 46 -14.593 9.821 -3.937 485 2HB PRO 46 2HB PRO 46 -13.649 8.821 -5.024 486 1HG PRO 46 1HG PRO 46 -16.571 9.257 -4.976 487 2HG PRO 46 2HG PRO 46 -15.577 8.626 -6.273 488 1HD PRO 46 1HD PRO 46 -17.275 7.117 -4.522 489 2HD PRO 46 2HD PRO 46 -16.192 6.475 -5.742 490 QB PRO 46 QB PRO 46 -14.121 9.321 -4.481 491 QG PRO 46 QG PRO 46 -16.074 8.942 -5.624 492 QD PRO 46 QD PRO 46 -16.733 6.796 -5.132 493 H GLY 47 H GLY 47 -12.976 8.534 -1.363 494 1HA GLY 47 2HA GLY 47 -15.298 9.270 0.306 495 2HA GLY 47 1HA GLY 47 -13.698 9.981 0.397 496 QA GLY 47 QA GLY 47 -14.498 9.626 0.351 497 H GLU 48 H GLU 48 -14.214 6.472 -0.052 498 HA GLU 48 HA GLU 48 -13.750 6.031 2.758 499 1HB GLU 48 1HB GLU 48 -14.032 3.565 2.001 500 2HB GLU 48 2HB GLU 48 -15.440 4.606 1.927 501 1HG GLU 48 1HG GLU 48 -15.350 4.798 -0.429 502 2HG GLU 48 2HG GLU 48 -13.646 4.396 -0.501 503 QB GLU 48 QB GLU 48 -14.736 4.085 1.964 504 QG GLU 48 QG GLU 48 -14.498 4.597 -0.465 505 H THR 49 H THR 49 -11.617 6.279 3.345 506 HA THR 49 HA THR 49 -9.444 5.937 1.650 507 HB THR 49 HB THR 49 -8.163 6.117 3.733 508 HG1 THR 49 HG1 THR 49 -10.770 5.521 4.943 509 1HG2 THR 49 3HG2 THR 49 -10.046 8.000 3.079 510 2HG2 THR 49 1HG2 THR 49 -10.650 7.503 4.677 511 3HG2 THR 49 2HG2 THR 49 -8.997 8.141 4.510 512 MG THR 49 QG2 THR 49 -9.897 7.881 4.089 513 H ALA 50 H ALA 50 -7.739 4.309 1.645 514 HA ALA 50 HA ALA 50 -8.852 1.639 2.183 515 1HB ALA 50 3HB ALA 50 -8.771 1.532 -0.098 516 2HB ALA 50 2HB ALA 50 -7.049 1.197 0.199 517 3HB ALA 50 1HB ALA 50 -7.575 2.844 -0.223 518 MB ALA 50 QB ALA 50 -7.799 1.858 -0.041 519 H HIS 51 H HIS 51 -7.253 -0.011 2.783 520 HA HIS 51 HA HIS 51 -4.665 1.036 3.561 521 1HB HIS 51 1HB HIS 51 -6.164 -0.519 5.634 522 2HB HIS 51 2HB HIS 51 -4.830 0.601 5.824 523 HD1 HIS 51 HD1 HIS 51 -8.290 0.391 6.548 524 HD2 HIS 51 HD2 HIS 51 -5.843 3.415 4.978 525 HE1 HIS 51 HE1 HIS 51 -9.542 2.585 6.912 526 HE2 HIS 51 HE2 HIS 51 -7.965 4.411 5.976 527 QB HIS 51 QB HIS 51 -5.497 0.041 5.729 528 H VAL 52 H VAL 52 -3.594 -0.294 2.106 529 HA VAL 52 HA VAL 52 -4.180 -3.159 2.333 530 HB VAL 52 HB VAL 52 -4.482 -2.662 0.126 531 1HG1 VAL 52 3HG1 VAL 52 -2.243 -0.623 0.345 532 2HG1 VAL 52 1HG1 VAL 52 -3.096 -1.030 -1.164 533 3HG1 VAL 52 2HG1 VAL 52 -3.987 -0.300 0.192 534 1HG2 VAL 52 2HG2 VAL 52 -2.277 -4.143 0.713 535 2HG2 VAL 52 3HG2 VAL 52 -2.918 -3.911 -0.931 536 3HG2 VAL 52 1HG2 VAL 52 -1.569 -2.906 -0.352 537 MG1 VAL 52 QG1 VAL 52 -3.109 -0.651 -0.209 538 MG2 VAL 52 QG2 VAL 52 -2.255 -3.653 -0.190 539 QG VAL 52 QQG VAL 52 -2.682 -2.152 -0.200 540 H ARG 53 H ARG 53 -2.508 -4.631 2.790 541 HA ARG 53 HA ARG 53 -0.292 -3.389 4.110 542 1HB ARG 53 1HB ARG 53 -1.759 -5.511 4.832 543 2HB ARG 53 2HB ARG 53 -0.618 -6.390 3.834 544 1HG ARG 53 1HG ARG 53 0.951 -4.616 5.429 545 2HG ARG 53 2HG ARG 53 -0.245 -5.299 6.512 546 1HD ARG 53 1HD ARG 53 1.555 -6.939 4.661 547 2HD ARG 53 2HD ARG 53 1.852 -6.686 6.370 548 HE ARG 53 HE ARG 53 -0.816 -7.767 5.786 549 1HH1 ARG 53 2HH1 ARG 53 -1.283 -9.877 6.528 550 2HH1 ARG 53 1HH1 ARG 53 0.001 -10.911 7.061 551 1HH2 ARG 53 2HH2 ARG 53 2.547 -8.554 6.458 552 2HH2 ARG 53 1HH2 ARG 53 2.193 -10.154 7.021 553 QB ARG 53 QB ARG 53 -1.188 -5.950 4.333 554 QG ARG 53 QG ARG 53 0.353 -4.957 5.971 555 QD ARG 53 QD ARG 53 1.703 -6.813 5.515 556 QH1 ARG 53 QH1 ARG 53 -0.641 -10.394 6.794 557 QH2 ARG 53 QH2 ARG 53 2.370 -9.354 6.739 558 H VAL 54 H VAL 54 0.882 -2.563 2.229 559 HA VAL 54 HA VAL 54 1.764 -4.497 0.269 560 HB VAL 54 HB VAL 54 1.130 -2.402 -0.590 561 1HG1 VAL 54 2HG1 VAL 54 2.754 -1.250 1.674 562 2HG1 VAL 54 3HG1 VAL 54 2.408 -0.286 0.219 563 3HG1 VAL 54 1HG1 VAL 54 1.069 -0.917 1.208 564 1HG2 VAL 54 2HG2 VAL 54 4.092 -2.882 -0.502 565 2HG2 VAL 54 3HG2 VAL 54 2.954 -3.015 -1.865 566 3HG2 VAL 54 1HG2 VAL 54 3.473 -1.411 -1.291 567 MG1 VAL 54 QG1 VAL 54 2.077 -0.818 1.034 568 MG2 VAL 54 QG2 VAL 54 3.506 -2.436 -1.219 569 QG VAL 54 QQG VAL 54 2.792 -1.627 -0.093 570 HA PRO 55 HA PRO 55 5.501 -5.304 2.294 571 1HB PRO 55 1HB PRO 55 6.943 -6.381 0.238 572 2HB PRO 55 2HB PRO 55 5.761 -7.291 1.159 573 1HG PRO 55 1HG PRO 55 5.534 -6.193 -1.576 574 2HG PRO 55 2HG PRO 55 4.568 -7.438 -0.809 575 1HD PRO 55 1HD PRO 55 3.810 -4.708 -1.255 576 2HD PRO 55 2HD PRO 55 2.893 -5.923 -0.386 577 QB PRO 55 QB PRO 55 6.352 -6.836 0.698 578 QG PRO 55 QG PRO 55 5.051 -6.815 -1.193 579 QD PRO 55 QD PRO 55 3.351 -5.315 -0.820 580 H PHE 56 H PHE 56 7.263 -4.231 2.999 581 HA PHE 56 HA PHE 56 7.750 -1.727 2.073 582 1HB PHE 56 1HB PHE 56 8.618 -3.236 4.118 583 2HB PHE 56 2HB PHE 56 9.963 -3.596 3.053 584 HD1 PHE 56 HD1 PHE 56 8.433 -1.113 5.203 585 HD2 PHE 56 HD2 PHE 56 11.490 -1.777 2.335 586 HE1 PHE 56 HE1 PHE 56 9.576 1.001 5.930 587 HE2 PHE 56 HE2 PHE 56 12.632 0.337 3.062 588 HZ PHE 56 HZ PHE 56 11.661 1.701 4.850 589 QB PHE 56 QB PHE 56 9.290 -3.416 3.586 590 QD PHE 56 QD PHE 56 9.962 -1.445 3.769 591 QE PHE 56 QE PHE 56 11.104 0.669 4.496 592 QR PHE 56 QR PHE 56 10.758 0.030 4.276 593 H VAL 57 H VAL 57 9.134 -4.834 0.915 594 HA VAL 57 HA VAL 57 11.104 -3.636 -0.715 595 HB VAL 57 HB VAL 57 11.439 -5.853 -0.040 596 1HG1 VAL 57 2HG1 VAL 57 8.588 -6.275 -0.891 597 2HG1 VAL 57 3HG1 VAL 57 9.713 -7.654 -0.877 598 3HG1 VAL 57 1HG1 VAL 57 9.408 -6.740 0.619 599 1HG2 VAL 57 3HG2 VAL 57 12.144 -5.435 -2.345 600 2HG2 VAL 57 1HG2 VAL 57 11.610 -7.121 -2.147 601 3HG2 VAL 57 2HG2 VAL 57 10.544 -5.938 -2.942 602 MG1 VAL 57 QG1 VAL 57 9.237 -6.890 -0.383 603 MG2 VAL 57 QG2 VAL 57 11.433 -6.165 -2.478 604 QG VAL 57 QQG VAL 57 10.335 -6.527 -1.431 605 H ASN 58 H ASN 58 7.650 -3.937 -0.938 606 HA ASN 58 HA ASN 58 7.856 -3.243 -3.764 607 1HB ASN 58 1HB ASN 58 6.650 -5.475 -3.026 608 2HB ASN 58 2HB ASN 58 5.363 -4.426 -2.469 609 1HD2 ASN 58 1HD2 ASN 58 5.695 -6.424 -4.712 610 2HD2 ASN 58 2HD2 ASN 58 5.127 -5.621 -6.138 611 QB ASN 58 QB ASN 58 6.007 -4.950 -2.747 612 QD ASN 58 QD2 ASN 58 5.411 -6.022 -5.425 613 H VAL 59 H VAL 59 7.738 -1.764 -0.957 614 HA VAL 59 HA VAL 59 5.224 -0.403 -1.030 615 HB VAL 59 HB VAL 59 7.692 -0.416 0.621 616 1HG1 VAL 59 3HG1 VAL 59 5.792 1.952 0.544 617 2HG1 VAL 59 1HG1 VAL 59 6.998 1.648 1.817 618 3HG1 VAL 59 2HG1 VAL 59 7.527 1.959 0.146 619 1HG2 VAL 59 1HG2 VAL 59 5.654 -1.763 1.141 620 2HG2 VAL 59 2HG2 VAL 59 6.119 -0.640 2.441 621 3HG2 VAL 59 3HG2 VAL 59 4.754 -0.243 1.369 622 MG1 VAL 59 QG1 VAL 59 6.772 1.853 0.836 623 MG2 VAL 59 QG2 VAL 59 5.509 -0.882 1.650 624 QG VAL 59 QQG VAL 59 6.141 0.485 1.243 625 H GLN 60 H GLN 60 8.477 0.018 -2.377 626 HA GLN 60 HA GLN 60 8.189 2.761 -2.895 627 1HB GLN 60 1HB GLN 60 10.332 1.254 -2.820 628 2HB GLN 60 2HB GLN 60 9.963 0.890 -4.494 629 1HG GLN 60 1HG GLN 60 11.385 2.757 -4.697 630 2HG GLN 60 2HG GLN 60 9.796 3.490 -4.809 631 1HE2 GLN 60 1HE2 GLN 60 12.194 4.777 -4.033 632 2HE2 GLN 60 2HE2 GLN 60 12.031 5.342 -2.404 633 QB GLN 60 QB GLN 60 10.148 1.072 -3.657 634 QG GLN 60 QG GLN 60 10.591 3.123 -4.753 635 QE GLN 60 QE2 GLN 60 12.112 5.060 -3.219 636 H ALA 61 H ALA 61 8.164 -0.099 -5.155 637 HA ALA 61 HA ALA 61 7.419 1.118 -7.434 638 1HB ALA 61 1HB ALA 61 7.381 -1.037 -8.058 639 2HB ALA 61 3HB ALA 61 5.862 -1.288 -7.163 640 3HB ALA 61 2HB ALA 61 7.427 -1.520 -6.345 641 MB ALA 61 QB ALA 61 6.890 -1.282 -7.189 642 H VAL 62 H VAL 62 5.314 0.276 -4.636 643 HA VAL 62 HA VAL 62 2.930 1.083 -5.951 644 HB VAL 62 HB VAL 62 3.569 0.708 -3.018 645 1HG1 VAL 62 2HG1 VAL 62 1.412 1.999 -3.871 646 2HG1 VAL 62 3HG1 VAL 62 0.827 0.342 -4.162 647 3HG1 VAL 62 1HG1 VAL 62 1.329 0.835 -2.527 648 1HG2 VAL 62 3HG2 VAL 62 3.948 -1.254 -4.664 649 2HG2 VAL 62 1HG2 VAL 62 2.959 -1.544 -3.213 650 3HG2 VAL 62 2HG2 VAL 62 2.173 -1.296 -4.790 651 MG1 VAL 62 QG1 VAL 62 1.189 1.059 -3.520 652 MG2 VAL 62 QG2 VAL 62 3.026 -1.364 -4.222 653 QG VAL 62 QQG VAL 62 2.108 -0.153 -3.871 654 H LYS 63 H LYS 63 5.231 2.608 -3.618 655 HA LYS 63 HA LYS 63 3.798 4.938 -3.201 656 1HB LYS 63 1HB LYS 63 6.631 4.065 -2.920 657 2HB LYS 63 2HB LYS 63 6.341 5.793 -2.941 658 1HG LYS 63 1HG LYS 63 4.680 3.953 -1.178 659 2HG LYS 63 2HG LYS 63 6.241 4.543 -0.644 660 1HD LYS 63 1HD LYS 63 5.302 6.920 -1.310 661 2HD LYS 63 2HD LYS 63 3.734 6.139 -1.259 662 1HE LYS 63 1HE LYS 63 4.263 7.167 0.932 663 2HE LYS 63 2HE LYS 63 4.133 5.426 1.087 664 1HZ LYS 63 1HZ LYS 63 6.762 6.078 0.440 665 2HZ LYS 63 2HZ LYS 63 6.302 7.008 1.702 666 3HZ LYS 63 3HZ LYS 63 6.196 5.382 1.804 667 QB LYS 63 QB LYS 63 6.486 4.929 -2.931 668 QD LYS 63 QD LYS 63 4.518 6.530 -1.284 669 QG LYS 63 QG LYS 63 5.461 4.248 -0.911 670 QE LYS 63 QE LYS 63 4.198 6.297 1.009 671 QZ LYS 63 QZ LYS 63 6.420 6.156 1.315 672 H VAL 64 H VAL 64 5.841 3.878 -5.923 673 HA VAL 64 HA VAL 64 5.954 6.475 -7.098 674 HB VAL 64 HB VAL 64 6.683 3.680 -7.913 675 1HG1 VAL 64 1HG1 VAL 64 6.109 5.952 -9.703 676 2HG1 VAL 64 2HG1 VAL 64 7.710 5.211 -9.943 677 3HG1 VAL 64 3HG1 VAL 64 6.241 4.213 -10.058 678 1HG2 VAL 64 2HG2 VAL 64 8.237 6.250 -7.478 679 2HG2 VAL 64 3HG2 VAL 64 8.258 4.784 -6.467 680 3HG2 VAL 64 1HG2 VAL 64 8.946 4.745 -8.108 681 MG1 VAL 64 QG1 VAL 64 6.687 5.125 -9.902 682 MG2 VAL 64 QG2 VAL 64 8.480 5.260 -7.351 683 QG VAL 64 QQG VAL 64 7.583 5.193 -8.626 684 H PHE 65 H PHE 65 3.854 3.583 -7.314 685 HA PHE 65 HA PHE 65 2.497 4.295 -9.633 686 1HB PHE 65 1HB PHE 65 2.510 2.107 -8.231 687 2HB PHE 65 2HB PHE 65 1.449 2.912 -7.093 688 HD1 PHE 65 HD1 PHE 65 1.668 2.051 -10.715 689 HD2 PHE 65 HD2 PHE 65 -0.846 2.729 -7.364 690 HE1 PHE 65 HE1 PHE 65 -0.323 1.334 -12.063 691 HE2 PHE 65 HE2 PHE 65 -2.837 2.012 -8.712 692 HZ PHE 65 HZ PHE 65 -2.552 1.323 -11.046 693 QB PHE 65 QB PHE 65 1.979 2.510 -7.662 694 QD PHE 65 QD PHE 65 0.411 2.390 -9.039 695 QE PHE 65 QE PHE 65 -1.580 1.673 -10.388 696 QR PHE 65 QR PHE 65 -0.978 1.890 -9.980 697 H LEU 66 H LEU 66 1.561 4.810 -6.152 698 HA LEU 66 HA LEU 66 -0.767 6.172 -6.606 699 1HB LEU 66 1HB LEU 66 1.283 6.303 -4.412 700 2HB LEU 66 2HB LEU 66 -0.158 7.300 -4.370 701 HG LEU 66 HG LEU 66 -0.869 4.546 -4.916 702 1HD1 LEU 66 2HD1 LEU 66 1.309 4.172 -3.696 703 2HD1 LEU 66 3HD1 LEU 66 0.556 4.939 -2.278 704 3HD1 LEU 66 1HD1 LEU 66 -0.133 3.442 -2.950 705 1HD2 LEU 66 3HD2 LEU 66 -1.539 6.632 -2.855 706 2HD2 LEU 66 1HD2 LEU 66 -2.563 5.927 -4.129 707 3HD2 LEU 66 2HD2 LEU 66 -2.132 4.961 -2.698 708 MD1 LEU 66 QD1 LEU 66 0.577 4.184 -2.974 709 MD2 LEU 66 QD2 LEU 66 -2.078 5.840 -3.227 710 QB LEU 66 QB LEU 66 0.562 6.801 -4.391 711 QD LEU 66 QQD LEU 66 -0.750 5.012 -3.101 712 H GLU 67 H GLU 67 2.532 7.621 -6.112 713 HA GLU 67 HA GLU 67 1.804 10.202 -6.531 714 1HB GLU 67 1HB GLU 67 4.123 8.998 -5.941 715 2HB GLU 67 2HB GLU 67 4.430 9.232 -7.650 716 1HG GLU 67 1HG GLU 67 3.299 11.663 -6.475 717 2HG GLU 67 2HG GLU 67 4.718 11.154 -5.580 718 QB GLU 67 QB GLU 67 4.277 9.115 -6.796 719 QG GLU 67 QG GLU 67 4.009 11.409 -6.027 720 H SER 68 H SER 68 2.640 7.657 -8.945 721 HA SER 68 HA SER 68 2.746 9.281 -11.152 722 1HB SER 68 1HB SER 68 3.188 6.679 -10.767 723 2HB SER 68 2HB SER 68 1.538 6.519 -11.335 724 HG SER 68 HG SER 68 2.750 6.415 -13.192 725 QB SER 68 QB SER 68 2.363 6.599 -11.051 726 H GLN 69 H GLN 69 -0.037 7.757 -9.458 727 HA GLN 69 HA GLN 69 -1.837 8.778 -11.456 728 1HB GLN 69 1HB GLN 69 -3.586 7.634 -10.053 729 2HB GLN 69 2HB GLN 69 -2.315 6.559 -10.604 730 1HG GLN 69 1HG GLN 69 -1.204 6.633 -8.430 731 2HG GLN 69 2HG GLN 69 -2.259 7.915 -7.870 732 1HE2 GLN 69 1HE2 GLN 69 -1.653 4.751 -7.606 733 2HE2 GLN 69 2HE2 GLN 69 -3.214 4.114 -7.210 734 QB GLN 69 QB GLN 69 -2.950 7.097 -10.328 735 QG GLN 69 QG GLN 69 -1.731 7.274 -8.150 736 QE GLN 69 QE2 GLN 69 -2.433 4.432 -7.408 737 H GLY 70 H GLY 70 -0.166 10.582 -9.673 738 1HA GLY 70 2HA GLY 70 -1.688 12.730 -9.337 739 2HA GLY 70 1HA GLY 70 -0.414 12.310 -8.209 740 QA GLY 70 QA GLY 70 -1.051 12.520 -8.773 741 H ILE 71 H ILE 71 -1.393 10.092 -6.849 742 HA ILE 71 HA ILE 71 -3.999 10.956 -5.835 743 HB ILE 71 HB ILE 71 -3.701 8.636 -6.709 744 1HG1 ILE 71 1HG1 ILE 71 -4.377 8.493 -3.786 745 2HG1 ILE 71 2HG1 ILE 71 -5.341 9.504 -4.845 746 1HG2 ILE 71 1HG2 ILE 71 -1.327 8.533 -5.579 747 2HG2 ILE 71 2HG2 ILE 71 -2.254 7.924 -4.187 748 3HG2 ILE 71 3HG2 ILE 71 -2.328 7.071 -5.746 749 1HD1 ILE 71 1HD1 ILE 71 -5.415 7.378 -6.407 750 2HD1 ILE 71 2HD1 ILE 71 -4.952 6.504 -4.929 751 3HD1 ILE 71 3HD1 ILE 71 -6.464 7.440 -4.971 752 MG ILE 71 QG2 ILE 71 -1.970 7.843 -5.171 753 MD ILE 71 QD1 ILE 71 -5.610 7.107 -5.436 754 QG ILE 71 QG1 ILE 71 -4.859 8.999 -4.316 755 H ALA 72 H ALA 72 -4.180 10.365 -3.320 756 HA ALA 72 HA ALA 72 -1.756 11.441 -2.049 757 1HB ALA 72 1HB ALA 72 -3.850 12.980 -2.327 758 2HB ALA 72 2HB ALA 72 -4.554 11.973 -1.040 759 3HB ALA 72 3HB ALA 72 -3.057 12.886 -0.736 760 MB ALA 72 QB ALA 72 -3.820 12.613 -1.368 761 H TYR 73 H TYR 73 -0.860 9.986 -0.684 762 HA TYR 73 HA TYR 73 -2.697 8.129 0.667 763 1HB TYR 73 1HB TYR 73 -0.408 6.695 0.466 764 2HB TYR 73 2HB TYR 73 -1.545 6.722 -0.867 765 HD1 TYR 73 HD1 TYR 73 1.826 7.215 0.056 766 HD2 TYR 73 HD2 TYR 73 -1.165 8.660 -2.639 767 HE1 TYR 73 HE1 TYR 73 3.639 8.122 -1.479 768 HE2 TYR 73 HE2 TYR 73 0.657 9.562 -4.166 769 HH TYR 73 HH TYR 73 2.772 9.822 -4.481 770 QB TYR 73 QB TYR 73 -0.977 6.708 -0.201 771 QD TYR 73 QD TYR 73 0.331 7.938 -1.291 772 QE TYR 73 QE TYR 73 2.148 8.842 -2.823 773 QR TYR 73 QR TYR 73 1.239 8.390 -2.057 774 H SER 74 H SER 74 -0.950 6.860 2.363 775 HA SER 74 HA SER 74 0.758 8.764 3.597 776 1HB SER 74 1HB SER 74 -1.700 9.267 4.368 777 2HB SER 74 2HB SER 74 -1.551 7.798 5.311 778 HG SER 74 HG SER 74 0.644 9.525 5.581 779 QB SER 74 QB SER 74 -1.626 8.532 4.840 780 H ILE 75 H ILE 75 2.107 7.747 5.260 781 HA ILE 75 HA ILE 75 2.022 4.831 5.045 782 HB ILE 75 HB ILE 75 4.239 6.740 5.789 783 1HG1 ILE 75 1HG1 ILE 75 5.224 5.612 3.660 784 2HG1 ILE 75 2HG1 ILE 75 3.563 5.181 3.300 785 1HG2 ILE 75 2HG2 ILE 75 3.994 3.782 6.045 786 2HG2 ILE 75 3HG2 ILE 75 5.537 4.439 5.449 787 3HG2 ILE 75 1HG2 ILE 75 4.902 4.954 7.029 788 1HD1 ILE 75 2HD1 ILE 75 3.682 7.968 4.133 789 2HD1 ILE 75 3HD1 ILE 75 4.836 7.672 2.811 790 3HD1 ILE 75 1HD1 ILE 75 3.113 7.283 2.592 791 MG ILE 75 QG2 ILE 75 4.811 4.391 6.174 792 MD ILE 75 QD1 ILE 75 3.877 7.641 3.178 793 QG ILE 75 QG1 ILE 75 4.393 5.397 3.480 794 H MET 76 H MET 76 1.019 3.785 6.669 795 HA MET 76 HA MET 76 0.632 5.149 9.146 796 1HB MET 76 1HB MET 76 -1.202 3.791 8.307 797 2HB MET 76 2HB MET 76 -0.149 2.422 8.004 798 1HG MET 76 1HG MET 76 -0.242 1.699 10.186 799 2HG MET 76 2HG MET 76 -0.138 3.322 10.838 800 1HE MET 76 1HE MET 76 -1.543 2.701 12.595 801 2HE MET 76 2HE MET 76 -3.323 2.720 12.567 802 3HE MET 76 3HE MET 76 -2.444 1.211 12.225 803 QB MET 76 QB MET 76 -0.676 3.106 8.156 804 QG MET 76 QG MET 76 -0.190 2.510 10.512 805 ME MET 76 QE MET 76 -2.437 2.211 12.462 806 H ILE 77 H ILE 77 1.327 1.647 9.021 807 HA ILE 77 HA ILE 77 3.239 1.986 11.140 808 HB ILE 77 HB ILE 77 3.325 -0.569 10.868 809 1HG1 ILE 77 1HG1 ILE 77 0.667 -0.456 9.573 810 2HG1 ILE 77 2HG1 ILE 77 2.021 -0.102 8.518 811 1HG2 ILE 77 2HG2 ILE 77 1.632 1.187 12.256 812 2HG2 ILE 77 3HG2 ILE 77 0.575 -0.093 11.614 813 3HG2 ILE 77 1HG2 ILE 77 1.975 -0.519 12.628 814 1HD1 ILE 77 1HD1 ILE 77 3.035 -2.268 9.838 815 2HD1 ILE 77 2HD1 ILE 77 1.298 -2.651 9.890 816 3HD1 ILE 77 3HD1 ILE 77 2.105 -2.390 8.326 817 MG ILE 77 QG2 ILE 77 1.394 0.191 12.166 818 MD ILE 77 QD1 ILE 77 2.146 -2.436 9.352 819 QG ILE 77 QG1 ILE 77 1.344 -0.279 9.046 820 H GLU 78 H GLU 78 5.316 0.465 10.908 821 HA GLU 78 HA GLU 78 6.366 0.523 8.248 822 1HB GLU 78 1HB GLU 78 6.746 2.846 9.480 823 2HB GLU 78 2HB GLU 78 8.016 1.978 10.320 824 1HG GLU 78 1HG GLU 78 8.426 1.226 7.658 825 2HG GLU 78 2HG GLU 78 7.909 2.894 7.507 826 QB GLU 78 QB GLU 78 7.381 2.412 9.900 827 QG GLU 78 QG GLU 78 8.168 2.060 7.582 828 H ASP 79 H ASP 79 9.171 0.543 9.677 829 HA ASP 79 HA ASP 79 9.108 -1.678 11.385 830 1HB ASP 79 1HB ASP 79 8.783 -2.544 8.870 831 2HB ASP 79 2HB ASP 79 10.514 -2.287 8.779 832 QB ASP 79 QB ASP 79 9.649 -2.415 8.824 833 H VAL 80 H VAL 80 10.206 0.794 11.782 834 HA VAL 80 HA VAL 80 13.029 0.581 11.031 835 HB VAL 80 HB VAL 80 11.527 2.624 10.534 836 1HG1 VAL 80 1HG1 VAL 80 10.694 2.642 12.973 837 2HG1 VAL 80 2HG1 VAL 80 12.257 3.400 13.363 838 3HG1 VAL 80 3HG1 VAL 80 11.136 4.200 12.234 839 1HG2 VAL 80 3HG2 VAL 80 14.320 2.460 11.493 840 2HG2 VAL 80 1HG2 VAL 80 13.655 3.153 9.994 841 3HG2 VAL 80 2HG2 VAL 80 13.612 4.093 11.504 842 MG1 VAL 80 QG1 VAL 80 11.362 3.414 12.856 843 MG2 VAL 80 QG2 VAL 80 13.862 3.235 10.997 844 QG VAL 80 QQG VAL 80 12.612 3.324 11.927 845 H GLN 81 H GLN 81 14.352 -0.321 12.516 846 HA GLN 81 HA GLN 81 13.590 -1.092 14.987 847 1HB GLN 81 1HB GLN 81 15.968 -1.406 15.470 848 2HB GLN 81 2HB GLN 81 15.652 -1.835 13.801 849 1HG GLN 81 1HG GLN 81 16.308 0.643 13.250 850 2HG GLN 81 2HG GLN 81 16.981 0.683 14.868 851 1HE2 GLN 81 1HE2 GLN 81 18.612 1.095 12.780 852 2HE2 GLN 81 2HE2 GLN 81 19.687 -0.238 12.523 853 QB GLN 81 QB GLN 81 15.810 -1.620 14.636 854 QG GLN 81 QG GLN 81 16.644 0.663 14.059 855 QE GLN 81 QE2 GLN 81 19.149 0.429 12.651 No H/Q in entry = 855 Start of MODEL 19 1 H MET 1 H MET 1 32.100 -16.865 17.394 2 HA MET 1 HA MET 1 31.799 -18.330 15.038 3 1HB MET 1 1HB MET 1 29.707 -18.631 17.217 4 2HB MET 1 2HB MET 1 29.154 -18.562 15.555 5 1HG MET 1 1HG MET 1 29.642 -20.773 15.367 6 2HG MET 1 2HG MET 1 31.341 -20.361 15.491 7 1HE MET 1 1HE MET 1 29.918 -22.888 16.120 8 2HE MET 1 2HE MET 1 31.484 -23.140 16.929 9 3HE MET 1 3HE MET 1 29.966 -23.410 17.820 10 QB MET 1 QB MET 1 29.431 -18.596 16.386 11 QG MET 1 QG MET 1 30.491 -20.567 15.429 12 ME MET 1 QE MET 1 30.456 -23.146 16.956 13 H ARG 2 H ARG 2 29.937 -17.316 13.637 14 HA ARG 2 HA ARG 2 29.996 -14.484 14.242 15 1HB ARG 2 1HB ARG 2 29.624 -14.120 11.860 16 2HB ARG 2 2HB ARG 2 30.887 -15.325 12.019 17 1HG ARG 2 1HG ARG 2 29.238 -17.144 11.641 18 2HG ARG 2 2HG ARG 2 27.935 -15.975 11.568 19 1HD ARG 2 1HD ARG 2 28.877 -14.955 9.541 20 2HD ARG 2 2HD ARG 2 30.323 -15.936 9.663 21 HE ARG 2 HE ARG 2 27.756 -16.769 8.582 22 1HH1 ARG 2 2HH1 ARG 2 27.533 -18.908 7.808 23 2HH1 ARG 2 1HH1 ARG 2 28.690 -20.116 8.256 24 1HH2 ARG 2 2HH2 ARG 2 30.635 -17.942 10.231 25 2HH2 ARG 2 1HH2 ARG 2 30.466 -19.563 9.645 26 QB ARG 2 QB ARG 2 30.255 -14.723 11.939 27 QG ARG 2 QG ARG 2 28.586 -16.560 11.605 28 QD ARG 2 QD ARG 2 29.600 -15.445 9.602 29 QH1 ARG 2 QH1 ARG 2 28.112 -19.512 8.032 30 QH2 ARG 2 QH2 ARG 2 30.550 -18.753 9.938 31 H SER 3 H SER 3 27.950 -13.211 13.528 32 HA SER 3 HA SER 3 25.665 -14.723 14.471 33 1HB SER 3 1HB SER 3 26.469 -11.836 14.476 34 2HB SER 3 2HB SER 3 24.753 -12.163 14.336 35 HG SER 3 HG SER 3 24.771 -13.274 16.313 36 QB SER 3 QB SER 3 25.611 -12.000 14.406 37 H LEU 4 H LEU 4 23.463 -13.903 13.399 38 HA LEU 4 HA LEU 4 23.901 -14.067 10.511 39 1HB LEU 4 1HB LEU 4 21.805 -15.076 10.334 40 2HB LEU 4 2HB LEU 4 22.587 -15.830 11.710 41 HG LEU 4 HG LEU 4 20.897 -13.526 12.425 42 1HD1 LEU 4 3HD1 LEU 4 19.769 -15.834 10.879 43 2HD1 LEU 4 1HD1 LEU 4 18.819 -15.099 12.194 44 3HD1 LEU 4 2HD1 LEU 4 19.354 -14.103 10.819 45 1HD2 LEU 4 3HD2 LEU 4 21.798 -16.056 13.534 46 2HD2 LEU 4 1HD2 LEU 4 21.212 -14.588 14.353 47 3HD2 LEU 4 2HD2 LEU 4 20.053 -15.809 13.778 48 MD1 LEU 4 QD1 LEU 4 19.314 -15.012 11.297 49 MD2 LEU 4 QD2 LEU 4 21.021 -15.484 13.888 50 QB LEU 4 QB LEU 4 22.196 -15.453 11.022 51 QD LEU 4 QQD LEU 4 20.168 -15.248 12.593 52 H GLU 5 H GLU 5 22.004 -12.913 9.234 53 HA GLU 5 HA GLU 5 21.980 -10.210 10.298 54 1HB GLU 5 1HB GLU 5 22.896 -10.944 7.918 55 2HB GLU 5 2HB GLU 5 21.204 -10.916 7.463 56 1HG GLU 5 1HG GLU 5 21.741 -8.522 8.982 57 2HG GLU 5 2HG GLU 5 23.007 -8.685 7.782 58 QB GLU 5 QB GLU 5 22.050 -10.930 7.690 59 QG GLU 5 QG GLU 5 22.374 -8.604 8.382 60 H THR 6 H THR 6 19.962 -8.878 9.878 61 HA THR 6 HA THR 6 17.611 -10.577 10.333 62 HB THR 6 HB THR 6 16.716 -8.310 11.217 63 HG1 THR 6 HG1 THR 6 18.603 -6.840 11.624 64 1HG2 THR 6 2HG2 THR 6 19.297 -9.338 12.509 65 2HG2 THR 6 3HG2 THR 6 18.034 -8.373 13.309 66 3HG2 THR 6 1HG2 THR 6 17.686 -10.039 12.788 67 MG THR 6 QG2 THR 6 18.339 -9.250 12.869 68 H PHE 7 H PHE 7 15.574 -8.830 9.679 69 HA PHE 7 HA PHE 7 16.056 -8.048 6.925 70 1HB PHE 7 1HB PHE 7 15.206 -10.567 7.348 71 2HB PHE 7 2HB PHE 7 13.673 -9.796 7.700 72 HD1 PHE 7 HD1 PHE 7 16.183 -8.877 5.111 73 HD2 PHE 7 HD2 PHE 7 12.311 -10.414 5.915 74 HE1 PHE 7 HE1 PHE 7 15.650 -8.819 2.658 75 HE2 PHE 7 HE2 PHE 7 11.777 -10.355 3.464 76 HZ PHE 7 HZ PHE 7 13.454 -9.558 1.864 77 QB PHE 7 QB PHE 7 14.440 -10.181 7.524 78 QD PHE 7 QD PHE 7 14.247 -9.646 5.513 79 QE PHE 7 QE PHE 7 13.714 -9.587 3.061 80 QR PHE 7 QR PHE 7 13.875 -9.604 3.802 81 H VAL 8 H VAL 8 13.474 -7.494 6.118 82 HA VAL 8 HA VAL 8 12.671 -5.516 8.129 83 HB VAL 8 HB VAL 8 13.518 -4.922 5.751 84 1HG1 VAL 8 3HG1 VAL 8 11.434 -6.611 5.007 85 2HG1 VAL 8 1HG1 VAL 8 10.784 -4.978 4.727 86 3HG1 VAL 8 2HG1 VAL 8 12.307 -5.476 3.951 87 1HG2 VAL 8 2HG2 VAL 8 11.310 -3.803 7.371 88 2HG2 VAL 8 3HG2 VAL 8 12.795 -3.035 6.762 89 3HG2 VAL 8 1HG2 VAL 8 11.387 -3.224 5.689 90 MG1 VAL 8 QG1 VAL 8 11.508 -5.688 4.562 91 MG2 VAL 8 QG2 VAL 8 11.831 -3.354 6.607 92 QG VAL 8 QQG VAL 8 11.670 -4.521 5.585 93 H GLY 9 H GLY 9 10.121 -5.107 6.542 94 1HA GLY 9 2HA GLY 9 8.341 -6.491 8.050 95 2HA GLY 9 1HA GLY 9 8.690 -7.599 6.738 96 QA GLY 9 QA GLY 9 8.515 -7.045 7.394 97 H ASP 10 H ASP 10 6.153 -6.937 6.683 98 HA ASP 10 HA ASP 10 5.914 -5.455 4.314 99 1HB ASP 10 1HB ASP 10 4.080 -6.874 6.222 100 2HB ASP 10 2HB ASP 10 3.339 -5.664 5.191 101 QB ASP 10 QB ASP 10 3.709 -6.269 5.707 102 H GLN 11 H GLN 11 3.695 -3.835 4.482 103 HA GLN 11 HA GLN 11 3.622 -2.276 6.815 104 1HB GLN 11 1HB GLN 11 5.832 -1.550 5.733 105 2HB GLN 11 2HB GLN 11 4.885 -0.890 4.415 106 1HG GLN 11 1HG GLN 11 3.548 0.384 6.272 107 2HG GLN 11 2HG GLN 11 4.876 -0.038 7.335 108 1HE2 GLN 11 1HE2 GLN 11 3.942 1.648 4.405 109 2HE2 GLN 11 2HE2 GLN 11 5.291 2.732 4.307 110 QB GLN 11 QB GLN 11 5.358 -1.220 5.074 111 QG GLN 11 QG GLN 11 4.212 0.173 6.804 112 QE GLN 11 QE2 GLN 11 4.616 2.190 4.356 113 H VAL 12 H VAL 12 1.853 -0.758 6.756 114 HA VAL 12 HA VAL 12 0.105 -1.210 4.458 115 HB VAL 12 HB VAL 12 -0.794 0.145 6.955 116 1HG1 VAL 12 1HG1 VAL 12 -2.013 -0.889 4.661 117 2HG1 VAL 12 2HG1 VAL 12 -2.387 -2.071 5.938 118 3HG1 VAL 12 3HG1 VAL 12 -2.821 -0.359 6.156 119 1HG2 VAL 12 2HG2 VAL 12 -0.131 -2.812 6.783 120 2HG2 VAL 12 3HG2 VAL 12 0.542 -1.613 7.914 121 3HG2 VAL 12 1HG2 VAL 12 -1.170 -2.087 8.033 122 MG1 VAL 12 QG1 VAL 12 -2.407 -1.106 5.585 123 MG2 VAL 12 QG2 VAL 12 -0.253 -2.171 7.576 124 QG VAL 12 QQG VAL 12 -1.330 -1.639 6.581 125 H LEU 13 H LEU 13 -1.360 0.779 3.940 126 HA LEU 13 HA LEU 13 -0.044 3.309 4.371 127 1HB LEU 13 1HB LEU 13 0.425 3.823 2.130 128 2HB LEU 13 2HB LEU 13 1.167 2.270 2.459 129 HG LEU 13 HG LEU 13 -1.449 1.781 1.414 130 1HD1 LEU 13 1HD1 LEU 13 -1.009 4.198 0.555 131 2HD1 LEU 13 2HD1 LEU 13 0.124 3.404 -0.565 132 3HD1 LEU 13 3HD1 LEU 13 -1.598 2.954 -0.573 133 1HD2 LEU 13 1HD2 LEU 13 0.816 0.481 1.333 134 2HD2 LEU 13 2HD2 LEU 13 -0.346 0.339 -0.007 135 3HD2 LEU 13 3HD2 LEU 13 1.072 1.403 -0.167 136 MD1 LEU 13 QD1 LEU 13 -0.828 3.519 -0.194 137 MD2 LEU 13 QD2 LEU 13 0.514 0.741 0.386 138 QB LEU 13 QB LEU 13 0.796 3.047 2.295 139 QD LEU 13 QQD LEU 13 -0.157 2.130 0.096 140 H GLU 14 H GLU 14 -1.485 5.040 4.204 141 HA GLU 14 HA GLU 14 -4.230 4.179 3.852 142 1HB GLU 14 1HB GLU 14 -3.496 6.921 4.861 143 2HB GLU 14 2HB GLU 14 -4.859 5.910 5.296 144 1HG GLU 14 1HG GLU 14 -3.061 4.283 6.308 145 2HG GLU 14 2HG GLU 14 -1.970 5.649 6.199 146 QB GLU 14 QB GLU 14 -4.178 6.415 5.078 147 QG GLU 14 QG GLU 14 -2.515 4.966 6.253 148 H ILE 15 H ILE 15 -5.305 4.651 1.985 149 HA ILE 15 HA ILE 15 -4.212 6.846 0.366 150 HB ILE 15 HB ILE 15 -5.750 4.445 -0.616 151 1HG1 ILE 15 1HG1 ILE 15 -3.269 3.969 -1.517 152 2HG1 ILE 15 2HG1 ILE 15 -2.845 4.787 -0.026 153 1HG2 ILE 15 1HG2 ILE 15 -5.471 6.781 -1.875 154 2HG2 ILE 15 2HG2 ILE 15 -3.918 6.043 -2.335 155 3HG2 ILE 15 3HG2 ILE 15 -5.446 5.219 -2.729 156 1HD1 ILE 15 3HD1 ILE 15 -4.890 3.071 0.791 157 2HD1 ILE 15 1HD1 ILE 15 -4.011 2.111 -0.424 158 3HD1 ILE 15 2HD1 ILE 15 -3.146 2.773 0.984 159 MG ILE 15 QG2 ILE 15 -4.945 6.014 -2.313 160 MD ILE 15 QD1 ILE 15 -4.016 2.651 0.450 161 QG ILE 15 QG1 ILE 15 -3.057 4.378 -0.771 162 H VAL 16 H VAL 16 -5.608 8.434 -0.401 163 HA VAL 16 HA VAL 16 -8.397 8.154 0.479 164 HB VAL 16 HB VAL 16 -6.707 10.661 0.536 165 1HG1 VAL 16 3HG1 VAL 16 -9.121 11.038 0.137 166 2HG1 VAL 16 1HG1 VAL 16 -9.494 10.136 1.626 167 3HG1 VAL 16 2HG1 VAL 16 -8.588 11.666 1.716 168 1HG2 VAL 16 2HG2 VAL 16 -6.395 8.613 2.270 169 2HG2 VAL 16 3HG2 VAL 16 -6.209 10.323 2.726 170 3HG2 VAL 16 1HG2 VAL 16 -7.737 9.475 3.059 171 MG1 VAL 16 QG1 VAL 16 -9.067 10.947 1.160 172 MG2 VAL 16 QG2 VAL 16 -6.780 9.470 2.685 173 QG VAL 16 QQG VAL 16 -7.924 10.209 1.923 174 HA PRO 17 HA PRO 17 -8.506 8.862 -3.913 175 1HB PRO 17 1HB PRO 17 -10.735 7.361 -4.410 176 2HB PRO 17 2HB PRO 17 -9.109 6.711 -4.472 177 1HG PRO 17 1HG PRO 17 -11.173 6.344 -2.388 178 2HG PRO 17 2HG PRO 17 -9.734 5.391 -2.687 179 1HD PRO 17 1HD PRO 17 -10.106 7.333 -0.609 180 2HD PRO 17 2HD PRO 17 -8.629 6.465 -0.979 181 QB PRO 17 QB PRO 17 -9.922 7.036 -4.441 182 QG PRO 17 QG PRO 17 -10.454 5.867 -2.537 183 QD PRO 17 QD PRO 17 -9.368 6.899 -0.794 184 H SER 18 H SER 18 -10.612 9.370 -5.413 185 HA SER 18 HA SER 18 -12.662 10.677 -4.120 186 1HB SER 18 1HB SER 18 -10.532 12.193 -3.638 187 2HB SER 18 2HB SER 18 -10.788 12.744 -5.281 188 HG SER 18 HG SER 18 -13.076 13.183 -4.601 189 QB SER 18 QB SER 18 -10.660 12.468 -4.460 190 H ASN 19 H ASN 19 -10.423 10.489 -6.914 191 HA ASN 19 HA ASN 19 -12.693 11.054 -8.646 192 1HB ASN 19 1HB ASN 19 -9.714 11.449 -8.874 193 2HB ASN 19 2HB ASN 19 -10.556 11.036 -10.354 194 1HD2 ASN 19 1HD2 ASN 19 -9.271 13.447 -9.988 195 2HD2 ASN 19 2HD2 ASN 19 -10.416 14.745 -9.954 196 QB ASN 19 QB ASN 19 -10.135 11.242 -9.614 197 QD ASN 19 QD2 ASN 19 -9.844 14.096 -9.971 198 H GLU 20 H GLU 20 -13.187 9.505 -10.347 199 HA GLU 20 HA GLU 20 -12.806 6.877 -9.724 200 1HB GLU 20 1HB GLU 20 -13.743 8.396 -12.125 201 2HB GLU 20 2HB GLU 20 -13.303 6.722 -12.401 202 1HG GLU 20 1HG GLU 20 -15.477 6.338 -11.747 203 2HG GLU 20 2HG GLU 20 -14.777 6.391 -10.141 204 QB GLU 20 QB GLU 20 -13.523 7.559 -12.263 205 QG GLU 20 QG GLU 20 -15.127 6.364 -10.944 206 H GLU 21 H GLU 21 -10.747 9.115 -11.548 207 HA GLU 21 HA GLU 21 -9.264 7.267 -12.952 208 1HB GLU 21 1HB GLU 21 -8.945 9.502 -13.591 209 2HB GLU 21 2HB GLU 21 -8.773 10.066 -11.941 210 1HG GLU 21 1HG GLU 21 -6.557 8.996 -11.755 211 2HG GLU 21 2HG GLU 21 -6.734 8.276 -13.343 212 QB GLU 21 QB GLU 21 -8.859 9.784 -12.766 213 QG GLU 21 QG GLU 21 -6.646 8.636 -12.549 214 H GLN 22 H GLN 22 -9.040 8.424 -9.565 215 HA GLN 22 HA GLN 22 -6.550 7.218 -9.089 216 1HB GLN 22 1HB GLN 22 -8.736 8.406 -7.378 217 2HB GLN 22 2HB GLN 22 -7.465 7.483 -6.601 218 1HG GLN 22 1HG GLN 22 -6.126 9.307 -6.697 219 2HG GLN 22 2HG GLN 22 -6.126 9.184 -8.445 220 1HE2 GLN 22 1HE2 GLN 22 -6.119 11.335 -8.855 221 2HE2 GLN 22 2HE2 GLN 22 -7.443 12.405 -8.536 222 QB GLN 22 QB GLN 22 -8.101 7.944 -6.989 223 QG GLN 22 QG GLN 22 -6.126 9.245 -7.571 224 QE GLN 22 QE2 GLN 22 -6.781 11.870 -8.695 225 H ILE 23 H ILE 23 -9.984 6.230 -8.607 226 HA ILE 23 HA ILE 23 -9.291 3.803 -7.298 227 HB ILE 23 HB ILE 23 -11.770 5.078 -8.360 228 1HG1 ILE 23 1HG1 ILE 23 -11.049 3.891 -5.664 229 2HG1 ILE 23 2HG1 ILE 23 -10.890 5.582 -6.093 230 1HG2 ILE 23 2HG2 ILE 23 -11.316 2.173 -8.169 231 2HG2 ILE 23 3HG2 ILE 23 -12.759 2.765 -7.311 232 3HG2 ILE 23 1HG2 ILE 23 -12.559 3.094 -9.049 233 1HD1 ILE 23 2HD1 ILE 23 -13.556 4.654 -6.800 234 2HD1 ILE 23 3HD1 ILE 23 -13.205 4.273 -5.096 235 3HD1 ILE 23 1HD1 ILE 23 -13.084 5.951 -5.677 236 MG ILE 23 QG2 ILE 23 -12.211 2.677 -8.176 237 MD ILE 23 QD1 ILE 23 -13.282 4.959 -5.858 238 QG ILE 23 QG1 ILE 23 -10.969 4.736 -5.878 239 H LYS 24 H LYS 24 -9.860 4.860 -10.665 240 HA LYS 24 HA LYS 24 -10.026 2.248 -11.727 241 1HB LYS 24 1HB LYS 24 -9.771 5.024 -12.779 242 2HB LYS 24 2HB LYS 24 -9.268 3.727 -13.844 243 1HG LYS 24 1HG LYS 24 -11.490 2.581 -13.416 244 2HG LYS 24 2HG LYS 24 -11.986 3.971 -12.471 245 1HD LYS 24 1HD LYS 24 -11.767 5.449 -14.428 246 2HD LYS 24 2HD LYS 24 -11.093 4.145 -15.386 247 1HE LYS 24 1HE LYS 24 -13.246 2.857 -15.094 248 2HE LYS 24 2HE LYS 24 -13.915 4.216 -14.212 249 1HZ LYS 24 2HZ LYS 24 -12.779 4.979 -16.700 250 2HZ LYS 24 3HZ LYS 24 -13.989 3.896 -16.879 251 3HZ LYS 24 1HZ LYS 24 -14.261 5.302 -16.093 252 QB LYS 24 QB LYS 24 -9.519 4.376 -13.312 253 QD LYS 24 QD LYS 24 -11.430 4.797 -14.907 254 QG LYS 24 QG LYS 24 -11.738 3.276 -12.943 255 QE LYS 24 QE LYS 24 -13.581 3.536 -14.653 256 QZ LYS 24 QZ LYS 24 -13.676 4.726 -16.557 257 H ASN 25 H ASN 25 -7.438 4.105 -10.393 258 HA ASN 25 HA ASN 25 -5.432 2.911 -12.024 259 1HB ASN 25 1HB ASN 25 -5.544 4.837 -9.717 260 2HB ASN 25 2HB ASN 25 -4.058 3.924 -9.875 261 1HD2 ASN 25 1HD2 ASN 25 -5.476 6.726 -10.637 262 2HD2 ASN 25 2HD2 ASN 25 -4.657 7.162 -12.099 263 QB ASN 25 QB ASN 25 -4.801 4.380 -9.796 264 QD ASN 25 QD2 ASN 25 -5.067 6.944 -11.368 265 H LEU 26 H LEU 26 -6.534 2.765 -8.554 266 HA LEU 26 HA LEU 26 -4.780 0.805 -7.704 267 1HB LEU 26 1HB LEU 26 -6.542 2.361 -6.498 268 2HB LEU 26 2HB LEU 26 -7.564 0.944 -6.631 269 HG LEU 26 HG LEU 26 -5.677 -0.358 -5.497 270 1HD1 LEU 26 2HD1 LEU 26 -4.281 2.030 -5.851 271 2HD1 LEU 26 3HD1 LEU 26 -4.648 1.975 -4.111 272 3HD1 LEU 26 1HD1 LEU 26 -3.781 0.624 -4.880 273 1HD2 LEU 26 2HD2 LEU 26 -7.788 1.233 -4.460 274 2HD2 LEU 26 3HD2 LEU 26 -7.051 -0.230 -3.763 275 3HD2 LEU 26 1HD2 LEU 26 -6.408 1.376 -3.345 276 MD1 LEU 26 QD1 LEU 26 -4.237 1.543 -4.947 277 MD2 LEU 26 QD2 LEU 26 -7.082 0.793 -3.856 278 QB LEU 26 QB LEU 26 -7.053 1.652 -6.565 279 QD LEU 26 QQD LEU 26 -5.659 1.168 -4.401 280 H LEU 27 H LEU 27 -8.233 0.397 -8.776 281 HA LEU 27 HA LEU 27 -8.383 -2.298 -8.682 282 1HB LEU 27 1HB LEU 27 -9.619 -0.186 -10.364 283 2HB LEU 27 2HB LEU 27 -9.816 -1.843 -10.900 284 HG LEU 27 HG LEU 27 -10.485 -1.033 -8.074 285 1HD1 LEU 27 2HD1 LEU 27 -11.658 0.303 -10.055 286 2HD1 LEU 27 3HD1 LEU 27 -12.663 -1.165 -10.103 287 3HD1 LEU 27 1HD1 LEU 27 -12.542 -0.218 -8.601 288 1HD2 LEU 27 2HD2 LEU 27 -10.391 -3.492 -9.361 289 2HD2 LEU 27 3HD2 LEU 27 -11.217 -3.121 -7.828 290 3HD2 LEU 27 1HD2 LEU 27 -12.120 -3.070 -9.360 291 MD1 LEU 27 QD1 LEU 27 -12.288 -0.360 -9.586 292 MD2 LEU 27 QD2 LEU 27 -11.243 -3.228 -8.850 293 QB LEU 27 QB LEU 27 -9.717 -1.015 -10.632 294 QD LEU 27 QQD LEU 27 -11.765 -1.794 -9.218 295 H GLN 28 H GLN 28 -7.061 -0.318 -11.416 296 HA GLN 28 HA GLN 28 -6.476 -2.446 -13.047 297 1HB GLN 28 1HB GLN 28 -6.336 0.208 -13.351 298 2HB GLN 28 2HB GLN 28 -4.644 -0.052 -12.973 299 1HG GLN 28 1HG GLN 28 -5.461 -2.077 -14.869 300 2HG GLN 28 2HG GLN 28 -6.003 -0.523 -15.468 301 1HE2 GLN 28 1HE2 GLN 28 -3.757 -2.513 -16.090 302 2HE2 GLN 28 2HE2 GLN 28 -2.333 -1.539 -16.248 303 QB GLN 28 QB GLN 28 -5.490 0.078 -13.162 304 QG GLN 28 QG GLN 28 -5.732 -1.300 -15.169 305 QE GLN 28 QE2 GLN 28 -3.045 -2.026 -16.169 306 H LEU 29 H LEU 29 -4.643 -0.993 -10.325 307 HA LEU 29 HA LEU 29 -2.242 -2.360 -10.802 308 1HB LEU 29 1HB LEU 29 -2.052 -0.520 -9.440 309 2HB LEU 29 2HB LEU 29 -3.487 -0.909 -8.511 310 HG LEU 29 HG LEU 29 -2.191 -2.857 -7.522 311 1HD1 LEU 29 3HD1 LEU 29 -0.029 -1.573 -9.152 312 2HD1 LEU 29 1HD1 LEU 29 0.379 -2.324 -7.589 313 3HD1 LEU 29 2HD1 LEU 29 -0.383 -3.296 -8.872 314 1HD2 LEU 29 1HD2 LEU 29 -1.504 0.031 -7.021 315 2HD2 LEU 29 2HD2 LEU 29 -2.550 -1.062 -6.084 316 3HD2 LEU 29 3HD2 LEU 29 -0.784 -1.274 -6.048 317 MD1 LEU 29 QD1 LEU 29 -0.011 -2.397 -8.538 318 MD2 LEU 29 QD2 LEU 29 -1.612 -0.768 -6.384 319 QB LEU 29 QB LEU 29 -2.770 -0.715 -8.975 320 QD LEU 29 QQD LEU 29 -0.812 -1.583 -7.461 321 H GLU 30 H GLU 30 -4.861 -3.029 -8.365 322 HA GLU 30 HA GLU 30 -3.931 -5.336 -7.399 323 1HB GLU 30 1HB GLU 30 -6.187 -3.976 -7.012 324 2HB GLU 30 2HB GLU 30 -6.866 -5.179 -8.091 325 1HG GLU 30 1HG GLU 30 -5.409 -6.792 -6.397 326 2HG GLU 30 2HG GLU 30 -5.843 -5.493 -5.304 327 QB GLU 30 QB GLU 30 -6.526 -4.577 -7.551 328 QG GLU 30 QG GLU 30 -5.626 -6.143 -5.850 329 H ALA 31 H ALA 31 -5.106 -4.735 -10.656 330 HA ALA 31 HA ALA 31 -5.654 -7.466 -11.275 331 1HB ALA 31 2HB ALA 31 -6.225 -6.643 -13.379 332 2HB ALA 31 3HB ALA 31 -6.497 -5.213 -12.355 333 3HB ALA 31 1HB ALA 31 -5.006 -5.347 -13.319 334 MB ALA 31 QB ALA 31 -5.909 -5.734 -13.018 335 H GLN 32 H GLN 32 -2.921 -5.158 -11.836 336 HA GLN 32 HA GLN 32 -1.322 -6.509 -13.419 337 1HB GLN 32 1HB GLN 32 -0.820 -4.828 -10.993 338 2HB GLN 32 2HB GLN 32 0.555 -5.724 -11.607 339 1HG GLN 32 1HG GLN 32 -1.182 -3.767 -13.182 340 2HG GLN 32 2HG GLN 32 0.474 -3.508 -12.670 341 1HE2 GLN 32 1HE2 GLN 32 -0.124 -3.199 -15.259 342 2HE2 GLN 32 2HE2 GLN 32 0.525 -4.473 -16.236 343 QB GLN 32 QB GLN 32 -0.132 -5.276 -11.300 344 QG GLN 32 QG GLN 32 -0.354 -3.637 -12.926 345 QE GLN 32 QE2 GLN 32 0.201 -3.836 -15.747 346 H GLU 33 H GLU 33 -0.723 -8.623 -13.567 347 HA GLU 33 HA GLU 33 -1.009 -10.346 -11.382 348 1HB GLU 33 1HB GLU 33 -0.015 -10.559 -14.207 349 2HB GLU 33 2HB GLU 33 0.449 -11.839 -13.103 350 1HG GLU 33 1HG GLU 33 -1.918 -12.264 -12.532 351 2HG GLU 33 2HG GLU 33 -2.431 -10.905 -13.512 352 QB GLU 33 QB GLU 33 0.217 -11.199 -13.655 353 QG GLU 33 QG GLU 33 -2.175 -11.585 -13.022 354 H HIS 34 H HIS 34 0.428 -8.738 -10.004 355 HA HIS 34 HA HIS 34 2.766 -10.094 -9.380 356 1HB HIS 34 1HB HIS 34 4.504 -8.607 -10.093 357 2HB HIS 34 2HB HIS 34 3.591 -9.122 -11.498 358 HD1 HIS 34 HD1 HIS 34 4.258 -6.091 -9.341 359 HD2 HIS 34 HD2 HIS 34 2.226 -7.082 -12.874 360 HE1 HIS 34 HE1 HIS 34 3.622 -3.880 -10.443 361 HE2 HIS 34 HE2 HIS 34 2.425 -4.553 -12.637 362 QB HIS 34 QB HIS 34 4.048 -8.864 -10.796 363 H LEU 35 H LEU 35 0.955 -6.993 -9.436 364 HA LEU 35 HA LEU 35 1.873 -6.483 -6.707 365 1HB LEU 35 1HB LEU 35 0.899 -4.816 -8.961 366 2HB LEU 35 2HB LEU 35 0.452 -4.299 -7.347 367 HG LEU 35 HG LEU 35 3.302 -4.825 -8.230 368 1HD1 LEU 35 1HD1 LEU 35 1.842 -2.832 -9.256 369 2HD1 LEU 35 2HD1 LEU 35 2.343 -2.054 -7.734 370 3HD1 LEU 35 3HD1 LEU 35 3.571 -2.666 -8.868 371 1HD2 LEU 35 3HD2 LEU 35 2.090 -4.386 -5.653 372 2HD2 LEU 35 1HD2 LEU 35 3.786 -4.738 -6.067 373 3HD2 LEU 35 2HD2 LEU 35 3.205 -3.055 -6.043 374 MD1 LEU 35 QD1 LEU 35 2.585 -2.517 -8.619 375 MD2 LEU 35 QD2 LEU 35 3.027 -4.060 -5.921 376 QB LEU 35 QB LEU 35 0.675 -4.557 -8.154 377 QD LEU 35 QQD LEU 35 2.806 -3.289 -7.270 378 H GLN 36 H GLN 36 0.240 -8.717 -6.929 379 HA GLN 36 HA GLN 36 -2.471 -8.066 -6.722 380 1HB GLN 36 1HB GLN 36 -1.897 -10.306 -7.336 381 2HB GLN 36 2HB GLN 36 -0.826 -10.503 -5.964 382 1HG GLN 36 1HG GLN 36 -3.463 -9.803 -4.981 383 2HG GLN 36 2HG GLN 36 -3.627 -11.122 -6.124 384 1HE2 GLN 36 1HE2 GLN 36 -4.199 -11.434 -3.465 385 2HE2 GLN 36 2HE2 GLN 36 -3.057 -12.495 -2.709 386 QB GLN 36 QB GLN 36 -1.361 -10.405 -6.650 387 QG GLN 36 QG GLN 36 -3.545 -10.462 -5.552 388 QE GLN 36 QE2 GLN 36 -3.628 -11.965 -3.087 389 H LEU 37 H LEU 37 -1.926 -6.127 -5.192 390 HA LEU 37 HA LEU 37 -1.284 -6.742 -2.503 391 1HB LEU 37 1HB LEU 37 -2.732 -4.248 -3.238 392 2HB LEU 37 2HB LEU 37 -1.395 -4.493 -2.132 393 HG LEU 37 HG LEU 37 -0.284 -5.117 -4.600 394 1HD1 LEU 37 1HD1 LEU 37 -2.314 -4.254 -5.717 395 2HD1 LEU 37 2HD1 LEU 37 -2.036 -2.670 -4.955 396 3HD1 LEU 37 3HD1 LEU 37 -0.852 -3.320 -6.115 397 1HD2 LEU 37 1HD2 LEU 37 0.334 -3.554 -2.491 398 2HD2 LEU 37 2HD2 LEU 37 1.212 -3.523 -4.040 399 3HD2 LEU 37 3HD2 LEU 37 -0.040 -2.304 -3.702 400 MD1 LEU 37 QD1 LEU 37 -1.734 -3.415 -5.596 401 MD2 LEU 37 QD2 LEU 37 0.502 -3.127 -3.411 402 QB LEU 37 QB LEU 37 -2.063 -4.371 -2.685 403 QD LEU 37 QQD LEU 37 -0.616 -3.271 -4.503 404 H ASP 38 H ASP 38 -2.825 -6.162 -0.646 405 HA ASP 38 HA ASP 38 -5.468 -7.169 -1.359 406 1HB ASP 38 1HB ASP 38 -3.750 -8.534 0.179 407 2HB ASP 38 2HB ASP 38 -4.315 -7.437 1.424 408 QB ASP 38 QB ASP 38 -4.033 -7.985 0.801 409 H PHE 39 H PHE 39 -7.000 -5.545 -1.064 410 HA PHE 39 HA PHE 39 -6.311 -3.312 0.652 411 1HB PHE 39 1HB PHE 39 -8.844 -3.827 -0.999 412 2HB PHE 39 2HB PHE 39 -8.198 -2.268 -0.527 413 HD1 PHE 39 HD1 PHE 39 -8.758 -4.077 -3.283 414 HD2 PHE 39 HD2 PHE 39 -5.467 -2.251 -1.323 415 HE1 PHE 39 HE1 PHE 39 -7.542 -3.916 -5.473 416 HE2 PHE 39 HE2 PHE 39 -4.251 -2.090 -3.513 417 HZ PHE 39 HZ PHE 39 -5.303 -2.925 -5.562 418 QB PHE 39 QB PHE 39 -8.521 -3.047 -0.763 419 QD PHE 39 QD PHE 39 -7.112 -3.164 -2.303 420 QE PHE 39 QE PHE 39 -5.897 -3.003 -4.493 421 QR PHE 39 QR PHE 39 -6.264 -3.052 -3.831 422 H TRP 40 H TRP 40 -6.963 -3.207 2.743 423 HA TRP 40 HA TRP 40 -8.517 -5.158 3.943 424 1HB TRP 40 1HB TRP 40 -7.900 -2.326 4.798 425 2HB TRP 40 2HB TRP 40 -8.685 -3.512 5.822 426 HD1 TRP 40 HD1 TRP 40 -5.856 -4.841 3.634 427 HE1 TRP 40 HE1 TRP 40 -3.717 -5.447 5.056 428 HE3 TRP 40 HE3 TRP 40 -7.493 -2.734 7.962 429 HZ2 TRP 40 HZ2 TRP 40 -2.968 -4.988 7.772 430 HZ3 TRP 40 HZ3 TRP 40 -5.997 -2.857 9.952 431 HH2 TRP 40 HH2 TRP 40 -3.804 -3.936 9.906 432 QB TRP 40 QB TRP 40 -8.292 -2.919 5.310 433 H LYS 41 H LYS 41 -9.359 -1.829 2.764 434 HA LYS 41 HA LYS 41 -12.175 -2.663 2.878 435 1HB LYS 41 1HB LYS 41 -12.739 -0.303 3.208 436 2HB LYS 41 2HB LYS 41 -11.709 -0.904 4.490 437 1HG LYS 41 1HG LYS 41 -9.899 0.045 2.538 438 2HG LYS 41 2HG LYS 41 -11.190 1.229 2.536 439 1HD LYS 41 1HD LYS 41 -9.859 0.250 5.101 440 2HD LYS 41 2HD LYS 41 -9.281 1.643 4.210 441 1HE LYS 41 1HE LYS 41 -10.865 2.953 5.168 442 2HE LYS 41 2HE LYS 41 -12.136 1.932 4.526 443 1HZ LYS 41 2HZ LYS 41 -10.759 0.819 6.772 444 2HZ LYS 41 3HZ LYS 41 -11.576 2.192 7.110 445 3HZ LYS 41 1HZ LYS 41 -12.362 0.910 6.472 446 QB LYS 41 QB LYS 41 -12.224 -0.604 3.849 447 QD LYS 41 QD LYS 41 -9.570 0.946 4.655 448 QG LYS 41 QG LYS 41 -10.544 0.637 2.537 449 QE LYS 41 QE LYS 41 -11.500 2.443 4.847 450 QZ LYS 41 QZ LYS 41 -11.566 1.307 6.785 451 H SER 42 H SER 42 -12.669 -3.369 0.852 452 HA SER 42 HA SER 42 -11.449 -2.901 -1.434 453 1HB SER 42 1HB SER 42 -13.626 -3.285 -2.581 454 2HB SER 42 2HB SER 42 -13.381 -4.388 -1.241 455 HG SER 42 HG SER 42 -15.525 -3.526 -1.194 456 QB SER 42 QB SER 42 -13.503 -3.836 -1.911 457 HA PRO 43 HA PRO 43 -11.952 1.480 -1.831 458 1HB PRO 43 1HB PRO 43 -9.973 1.866 -3.676 459 2HB PRO 43 2HB PRO 43 -9.686 1.870 -1.947 460 1HG PRO 43 1HG PRO 43 -9.043 -0.228 -3.928 461 2HG PRO 43 2HG PRO 43 -8.402 -0.011 -2.310 462 1HD PRO 43 1HD PRO 43 -10.371 -1.928 -3.133 463 2HD PRO 43 2HD PRO 43 -9.814 -1.632 -1.498 464 QB PRO 43 QB PRO 43 -9.829 1.868 -2.811 465 QG PRO 43 QG PRO 43 -8.722 -0.120 -3.119 466 QD PRO 43 QD PRO 43 -10.093 -1.780 -2.315 467 H THR 44 H THR 44 -13.992 0.144 -2.825 468 HA THR 44 HA THR 44 -14.095 0.207 -5.646 469 HB THR 44 HB THR 44 -15.993 -0.147 -3.322 470 HG1 THR 44 HG1 THR 44 -15.248 -1.456 -5.842 471 1HG2 THR 44 1HG2 THR 44 -16.755 0.885 -6.000 472 2HG2 THR 44 2HG2 THR 44 -17.526 -0.668 -5.597 473 3HG2 THR 44 3HG2 THR 44 -17.743 0.738 -4.526 474 MG THR 44 QG2 THR 44 -17.341 0.318 -5.374 475 H THR 45 H THR 45 -15.646 2.407 -3.205 476 HA THR 45 HA THR 45 -15.646 4.452 -5.327 477 HB THR 45 HB THR 45 -17.705 5.237 -4.388 478 HG1 THR 45 HG1 THR 45 -17.040 5.210 -2.162 479 1HG2 THR 45 2HG2 THR 45 -17.642 2.616 -5.199 480 2HG2 THR 45 3HG2 THR 45 -18.156 2.406 -3.508 481 3HG2 THR 45 1HG2 THR 45 -19.123 3.412 -4.613 482 MG THR 45 QG2 THR 45 -18.307 2.811 -4.440 483 HA PRO 46 HA PRO 46 -13.184 6.980 -2.888 484 1HB PRO 46 1HB PRO 46 -14.112 9.495 -3.416 485 2HB PRO 46 2HB PRO 46 -13.070 8.610 -4.510 486 1HG PRO 46 1HG PRO 46 -15.971 9.129 -4.730 487 2HG PRO 46 2HG PRO 46 -14.847 8.634 -5.980 488 1HD PRO 46 1HD PRO 46 -16.757 6.972 -4.632 489 2HD PRO 46 2HD PRO 46 -15.556 6.454 -5.798 490 QB PRO 46 QB PRO 46 -13.591 9.052 -3.963 491 QG PRO 46 QG PRO 46 -15.409 8.881 -5.355 492 QD PRO 46 QD PRO 46 -16.156 6.713 -5.215 493 H GLY 47 H GLY 47 -13.113 8.915 -1.242 494 1HA GLY 47 2HA GLY 47 -15.522 8.946 0.389 495 2HA GLY 47 1HA GLY 47 -14.070 9.906 0.599 496 QA GLY 47 QA GLY 47 -14.796 9.426 0.494 497 H GLU 48 H GLU 48 -14.260 6.326 0.170 498 HA GLU 48 HA GLU 48 -13.611 6.024 2.973 499 1HB GLU 48 1HB GLU 48 -13.907 3.514 2.339 500 2HB GLU 48 2HB GLU 48 -15.334 4.531 2.386 501 1HG GLU 48 1HG GLU 48 -15.547 4.595 0.049 502 2HG GLU 48 2HG GLU 48 -13.837 4.328 -0.225 503 QB GLU 48 QB GLU 48 -14.621 4.023 2.363 504 QG GLU 48 QG GLU 48 -14.692 4.462 -0.088 505 H THR 49 H THR 49 -11.440 6.313 3.365 506 HA THR 49 HA THR 49 -9.422 5.895 1.488 507 HB THR 49 HB THR 49 -7.962 6.258 3.415 508 HG1 THR 49 HG1 THR 49 -10.424 5.397 4.752 509 1HG2 THR 49 2HG2 THR 49 -9.854 8.087 2.822 510 2HG2 THR 49 3HG2 THR 49 -10.460 7.621 4.429 511 3HG2 THR 49 1HG2 THR 49 -8.814 8.277 4.254 512 MG THR 49 QG2 THR 49 -9.709 7.995 3.835 513 H ALA 50 H ALA 50 -7.750 4.279 1.351 514 HA ALA 50 HA ALA 50 -8.797 1.641 2.114 515 1HB ALA 50 3HB ALA 50 -8.700 1.453 -0.163 516 2HB ALA 50 2HB ALA 50 -6.984 1.115 0.167 517 3HB ALA 50 1HB ALA 50 -7.490 2.748 -0.326 518 MB ALA 50 QB ALA 50 -7.725 1.772 -0.107 519 H HIS 51 H HIS 51 -7.149 0.002 2.716 520 HA HIS 51 HA HIS 51 -4.585 1.086 3.486 521 1HB HIS 51 1HB HIS 51 -6.061 -0.370 5.639 522 2HB HIS 51 2HB HIS 51 -4.756 0.792 5.764 523 HD1 HIS 51 HD1 HIS 51 -8.268 0.516 6.381 524 HD2 HIS 51 HD2 HIS 51 -5.780 3.549 4.895 525 HE1 HIS 51 HE1 HIS 51 -9.557 2.701 6.663 526 HE2 HIS 51 HE2 HIS 51 -7.956 4.533 5.783 527 QB HIS 51 QB HIS 51 -5.408 0.211 5.701 528 H VAL 52 H VAL 52 -3.496 -0.318 2.123 529 HA VAL 52 HA VAL 52 -4.084 -3.169 2.510 530 HB VAL 52 HB VAL 52 -4.421 -2.890 0.290 531 1HG1 VAL 52 3HG1 VAL 52 -2.404 -0.627 0.363 532 2HG1 VAL 52 1HG1 VAL 52 -3.152 -1.233 -1.133 533 3HG1 VAL 52 2HG1 VAL 52 -4.167 -0.517 0.142 534 1HG2 VAL 52 2HG2 VAL 52 -2.121 -4.171 0.876 535 2HG2 VAL 52 3HG2 VAL 52 -2.763 -4.020 -0.777 536 3HG2 VAL 52 1HG2 VAL 52 -1.489 -2.913 -0.213 537 MG1 VAL 52 QG1 VAL 52 -3.241 -0.792 -0.209 538 MG2 VAL 52 QG2 VAL 52 -2.124 -3.701 -0.038 539 QG VAL 52 QQG VAL 52 -2.683 -2.247 -0.124 540 H ARG 53 H ARG 53 -2.400 -4.593 3.037 541 HA ARG 53 HA ARG 53 -0.160 -3.265 4.218 542 1HB ARG 53 1HB ARG 53 -1.587 -5.357 5.089 543 2HB ARG 53 2HB ARG 53 -0.460 -6.278 4.112 544 1HG ARG 53 1HG ARG 53 1.152 -4.432 5.549 545 2HG ARG 53 2HG ARG 53 -0.031 -5.000 6.709 546 1HD ARG 53 1HD ARG 53 1.648 -6.851 4.948 547 2HD ARG 53 2HD ARG 53 2.068 -6.423 6.594 548 HE ARG 53 HE ARG 53 -0.650 -7.428 6.448 549 1HH1 ARG 53 2HH1 ARG 53 -1.111 -9.499 7.292 550 2HH1 ARG 53 1HH1 ARG 53 0.175 -10.622 7.584 551 1HH2 ARG 53 2HH2 ARG 53 2.717 -8.450 6.476 552 2HH2 ARG 53 1HH2 ARG 53 2.368 -10.022 7.116 553 QB ARG 53 QB ARG 53 -1.023 -5.818 4.600 554 QG ARG 53 QG ARG 53 0.561 -4.716 6.129 555 QD ARG 53 QD ARG 53 1.858 -6.637 5.771 556 QH1 ARG 53 QH1 ARG 53 -0.468 -10.061 7.438 557 QH2 ARG 53 QH2 ARG 53 2.542 -9.236 6.796 558 H VAL 54 H VAL 54 1.014 -2.536 2.316 559 HA VAL 54 HA VAL 54 1.852 -4.561 0.423 560 HB VAL 54 HB VAL 54 1.122 -2.044 0.064 561 1HG1 VAL 54 3HG1 VAL 54 3.228 -1.439 1.562 562 2HG1 VAL 54 1HG1 VAL 54 4.080 -1.584 0.006 563 3HG1 VAL 54 2HG1 VAL 54 2.744 -0.422 0.184 564 1HG2 VAL 54 3HG2 VAL 54 2.097 -3.959 -1.532 565 2HG2 VAL 54 1HG2 VAL 54 1.831 -2.291 -2.094 566 3HG2 VAL 54 2HG2 VAL 54 3.463 -2.820 -1.618 567 MG1 VAL 54 QG1 VAL 54 3.351 -1.148 0.584 568 MG2 VAL 54 QG2 VAL 54 2.464 -3.023 -1.748 569 QG VAL 54 QQG VAL 54 2.907 -2.086 -0.582 570 HA PRO 55 HA PRO 55 5.653 -5.233 2.372 571 1HB PRO 55 1HB PRO 55 7.102 -6.286 0.308 572 2HB PRO 55 2HB PRO 55 5.954 -7.220 1.248 573 1HG PRO 55 1HG PRO 55 5.670 -6.149 -1.492 574 2HG PRO 55 2HG PRO 55 4.745 -7.414 -0.707 575 1HD PRO 55 1HD PRO 55 3.909 -4.708 -1.162 576 2HD PRO 55 2HD PRO 55 3.034 -5.940 -0.275 577 QB PRO 55 QB PRO 55 6.528 -6.753 0.778 578 QG PRO 55 QG PRO 55 5.207 -6.782 -1.099 579 QD PRO 55 QD PRO 55 3.472 -5.324 -0.719 580 H PHE 56 H PHE 56 7.421 -4.134 3.036 581 HA PHE 56 HA PHE 56 7.823 -1.615 2.093 582 1HB PHE 56 1HB PHE 56 8.750 -3.075 4.141 583 2HB PHE 56 2HB PHE 56 10.085 -3.432 3.064 584 HD1 PHE 56 HD1 PHE 56 8.363 -0.745 4.900 585 HD2 PHE 56 HD2 PHE 56 11.766 -1.797 2.593 586 HE1 PHE 56 HE1 PHE 56 9.484 1.395 5.579 587 HE2 PHE 56 HE2 PHE 56 12.888 0.344 3.273 588 HZ PHE 56 HZ PHE 56 11.734 1.913 4.757 589 QB PHE 56 QB PHE 56 9.418 -3.253 3.603 590 QD PHE 56 QD PHE 56 10.064 -1.271 3.747 591 QE PHE 56 QE PHE 56 11.186 0.869 4.426 592 QR PHE 56 QR PHE 56 10.847 0.222 4.221 593 H VAL 57 H VAL 57 9.300 -4.693 0.958 594 HA VAL 57 HA VAL 57 11.209 -3.458 -0.710 595 HB VAL 57 HB VAL 57 11.616 -5.657 -0.032 596 1HG1 VAL 57 3HG1 VAL 57 8.759 -6.158 -0.807 597 2HG1 VAL 57 1HG1 VAL 57 9.917 -7.510 -0.816 598 3HG1 VAL 57 2HG1 VAL 57 9.629 -6.594 0.683 599 1HG2 VAL 57 2HG2 VAL 57 10.676 -5.747 -2.917 600 2HG2 VAL 57 3HG2 VAL 57 12.292 -5.282 -2.332 601 3HG2 VAL 57 1HG2 VAL 57 11.725 -6.959 -2.144 602 MG1 VAL 57 QG1 VAL 57 9.435 -6.754 -0.313 603 MG2 VAL 57 QG2 VAL 57 11.565 -5.996 -2.465 604 QG VAL 57 QQG VAL 57 10.500 -6.375 -1.389 605 H ASN 58 H ASN 58 7.764 -3.819 -0.887 606 HA ASN 58 HA ASN 58 7.921 -3.176 -3.727 607 1HB ASN 58 1HB ASN 58 6.748 -5.400 -2.949 608 2HB ASN 58 2HB ASN 58 5.471 -4.362 -2.347 609 1HD2 ASN 58 1HD2 ASN 58 6.480 -6.158 -4.893 610 2HD2 ASN 58 2HD2 ASN 58 5.594 -5.437 -6.195 611 QB ASN 58 QB ASN 58 6.109 -4.881 -2.648 612 QD ASN 58 QD2 ASN 58 6.037 -5.798 -5.544 613 H VAL 59 H VAL 59 7.806 -1.670 -0.915 614 HA VAL 59 HA VAL 59 5.294 -0.313 -0.996 615 HB VAL 59 HB VAL 59 7.775 -0.294 0.634 616 1HG1 VAL 59 2HG1 VAL 59 5.983 2.114 0.297 617 2HG1 VAL 59 3HG1 VAL 59 6.837 1.798 1.827 618 3HG1 VAL 59 1HG1 VAL 59 7.761 2.030 0.323 619 1HG2 VAL 59 2HG2 VAL 59 5.718 -1.621 1.177 620 2HG2 VAL 59 3HG2 VAL 59 6.231 -0.507 2.467 621 3HG2 VAL 59 1HG2 VAL 59 4.852 -0.086 1.422 622 MG1 VAL 59 QG1 VAL 59 6.860 1.980 0.816 623 MG2 VAL 59 QG2 VAL 59 5.600 -0.738 1.689 624 QG VAL 59 QQG VAL 59 6.230 0.621 1.252 625 H GLN 60 H GLN 60 8.529 0.102 -2.384 626 HA GLN 60 HA GLN 60 8.217 2.836 -2.944 627 1HB GLN 60 1HB GLN 60 10.369 1.321 -2.863 628 2HB GLN 60 2HB GLN 60 9.998 0.976 -4.540 629 1HG GLN 60 1HG GLN 60 9.925 3.483 -4.975 630 2HG GLN 60 2HG GLN 60 10.462 3.740 -3.325 631 1HE2 GLN 60 1HE2 GLN 60 11.803 4.537 -5.695 632 2HE2 GLN 60 2HE2 GLN 60 13.340 3.741 -5.765 633 QB GLN 60 QB GLN 60 10.184 1.149 -3.702 634 QG GLN 60 QG GLN 60 10.193 3.611 -4.150 635 QE GLN 60 QE2 GLN 60 12.571 4.139 -5.730 636 H ALA 61 H ALA 61 8.198 -0.070 -5.146 637 HA ALA 61 HA ALA 61 7.430 1.102 -7.444 638 1HB ALA 61 1HB ALA 61 6.058 -1.167 -7.681 639 2HB ALA 61 3HB ALA 61 6.895 -1.561 -6.160 640 3HB ALA 61 2HB ALA 61 7.837 -1.169 -7.619 641 MB ALA 61 QB ALA 61 6.930 -1.299 -7.153 642 H VAL 62 H VAL 62 5.345 0.273 -4.625 643 HA VAL 62 HA VAL 62 2.950 1.046 -5.943 644 HB VAL 62 HB VAL 62 3.553 0.753 -2.994 645 1HG1 VAL 62 3HG1 VAL 62 0.959 0.707 -4.568 646 2HG1 VAL 62 1HG1 VAL 62 1.109 0.201 -2.868 647 3HG1 VAL 62 2HG1 VAL 62 1.456 1.885 -3.331 648 1HG2 VAL 62 3HG2 VAL 62 3.983 -1.217 -4.770 649 2HG2 VAL 62 1HG2 VAL 62 3.344 -1.512 -3.135 650 3HG2 VAL 62 2HG2 VAL 62 2.234 -1.437 -4.524 651 MG1 VAL 62 QG1 VAL 62 1.175 0.931 -3.589 652 MG2 VAL 62 QG2 VAL 62 3.187 -1.389 -4.143 653 QG VAL 62 QQG VAL 62 2.181 -0.229 -3.866 654 H LYS 63 H LYS 63 5.256 2.609 -3.644 655 HA LYS 63 HA LYS 63 3.798 4.930 -3.232 656 1HB LYS 63 1HB LYS 63 6.640 4.084 -2.953 657 2HB LYS 63 2HB LYS 63 6.332 5.809 -2.981 658 1HG LYS 63 1HG LYS 63 4.668 3.983 -1.213 659 2HG LYS 63 2HG LYS 63 6.244 4.534 -0.681 660 1HD LYS 63 1HD LYS 63 5.314 6.935 -1.384 661 2HD LYS 63 2HD LYS 63 3.751 6.162 -1.218 662 1HE LYS 63 1HE LYS 63 4.019 5.788 1.094 663 2HE LYS 63 2HE LYS 63 5.768 5.803 1.004 664 1HZ LYS 63 1HZ LYS 63 4.780 8.272 0.156 665 2HZ LYS 63 2HZ LYS 63 4.112 7.911 1.602 666 3HZ LYS 63 3HZ LYS 63 5.737 7.944 1.438 667 QB LYS 63 QB LYS 63 6.486 4.947 -2.967 668 QD LYS 63 QD LYS 63 4.532 6.548 -1.301 669 QG LYS 63 QG LYS 63 5.456 4.258 -0.947 670 QE LYS 63 QE LYS 63 4.893 5.795 1.049 671 QZ LYS 63 QZ LYS 63 4.876 8.042 1.065 672 H VAL 64 H VAL 64 5.858 3.873 -5.946 673 HA VAL 64 HA VAL 64 5.950 6.458 -7.141 674 HB VAL 64 HB VAL 64 6.681 3.658 -7.941 675 1HG1 VAL 64 1HG1 VAL 64 6.395 6.058 -9.737 676 2HG1 VAL 64 2HG1 VAL 64 7.663 4.848 -10.048 677 3HG1 VAL 64 3HG1 VAL 64 5.952 4.359 -10.034 678 1HG2 VAL 64 2HG2 VAL 64 8.081 5.289 -6.453 679 2HG2 VAL 64 3HG2 VAL 64 8.884 4.370 -7.749 680 3HG2 VAL 64 1HG2 VAL 64 8.465 6.083 -7.999 681 MG1 VAL 64 QG1 VAL 64 6.670 5.088 -9.940 682 MG2 VAL 64 QG2 VAL 64 8.477 5.247 -7.400 683 QG VAL 64 QQG VAL 64 7.574 5.168 -8.670 684 H PHE 65 H PHE 65 3.856 3.558 -7.334 685 HA PHE 65 HA PHE 65 2.488 4.243 -9.650 686 1HB PHE 65 1HB PHE 65 2.497 2.077 -8.217 687 2HB PHE 65 2HB PHE 65 1.447 2.904 -7.084 688 HD1 PHE 65 HD1 PHE 65 1.603 2.190 -10.750 689 HD2 PHE 65 HD2 PHE 65 -0.814 2.526 -7.280 690 HE1 PHE 65 HE1 PHE 65 -0.401 1.462 -12.075 691 HE2 PHE 65 HE2 PHE 65 -2.818 1.798 -8.605 692 HZ PHE 65 HZ PHE 65 -2.588 1.275 -10.987 693 QB PHE 65 QB PHE 65 1.972 2.491 -7.650 694 QD PHE 65 QD PHE 65 0.395 2.358 -9.015 695 QE PHE 65 QE PHE 65 -1.609 1.630 -10.340 696 QR PHE 65 QR PHE 65 -1.003 1.850 -9.939 697 H LEU 66 H LEU 66 1.621 4.865 -6.172 698 HA LEU 66 HA LEU 66 -0.722 6.223 -6.653 699 1HB LEU 66 1HB LEU 66 1.317 6.362 -4.447 700 2HB LEU 66 2HB LEU 66 -0.130 7.352 -4.423 701 HG LEU 66 HG LEU 66 -0.844 4.604 -4.954 702 1HD1 LEU 66 2HD1 LEU 66 1.358 4.241 -3.747 703 2HD1 LEU 66 3HD1 LEU 66 0.584 4.965 -2.317 704 3HD1 LEU 66 1HD1 LEU 66 -0.078 3.474 -3.028 705 1HD2 LEU 66 3HD2 LEU 66 -1.489 6.701 -2.902 706 2HD2 LEU 66 1HD2 LEU 66 -2.533 5.959 -4.139 707 3HD2 LEU 66 2HD2 LEU 66 -2.062 5.028 -2.697 708 MD1 LEU 66 QD1 LEU 66 0.621 4.227 -3.030 709 MD2 LEU 66 QD2 LEU 66 -2.028 5.896 -3.246 710 QB LEU 66 QB LEU 66 0.593 6.857 -4.435 711 QD LEU 66 QQD LEU 66 -0.703 5.061 -3.138 712 H GLU 67 H GLU 67 2.580 7.650 -6.117 713 HA GLU 67 HA GLU 67 1.902 10.229 -6.560 714 1HB GLU 67 1HB GLU 67 4.203 8.990 -5.980 715 2HB GLU 67 2HB GLU 67 4.505 9.213 -7.692 716 1HG GLU 67 1HG GLU 67 3.422 11.666 -6.514 717 2HG GLU 67 2HG GLU 67 4.839 11.135 -5.630 718 QB GLU 67 QB GLU 67 4.354 9.101 -6.836 719 QG GLU 67 QG GLU 67 4.130 11.401 -6.072 720 H SER 68 H SER 68 2.639 7.657 -8.968 721 HA SER 68 HA SER 68 2.776 9.277 -11.183 722 1HB SER 68 1HB SER 68 3.418 6.876 -11.131 723 2HB SER 68 2HB SER 68 1.735 6.418 -10.960 724 HG SER 68 HG SER 68 2.415 6.255 -13.170 725 QB SER 68 QB SER 68 2.577 6.647 -11.045 726 H GLN 69 H GLN 69 -0.027 7.800 -9.476 727 HA GLN 69 HA GLN 69 -1.818 8.872 -11.454 728 1HB GLN 69 1HB GLN 69 -3.581 7.754 -10.038 729 2HB GLN 69 2HB GLN 69 -2.347 6.660 -10.630 730 1HG GLN 69 1HG GLN 69 -1.202 6.653 -8.479 731 2HG GLN 69 2HG GLN 69 -2.194 7.967 -7.879 732 1HE2 GLN 69 1HE2 GLN 69 -1.695 4.815 -7.583 733 2HE2 GLN 69 2HE2 GLN 69 -3.273 4.219 -7.193 734 QB GLN 69 QB GLN 69 -2.964 7.207 -10.334 735 QG GLN 69 QG GLN 69 -1.698 7.310 -8.179 736 QE GLN 69 QE2 GLN 69 -2.484 4.517 -7.388 737 H GLY 70 H GLY 70 -0.109 10.640 -9.687 738 1HA GLY 70 2HA GLY 70 -1.590 12.807 -9.315 739 2HA GLY 70 1HA GLY 70 -0.314 12.357 -8.202 740 QA GLY 70 QA GLY 70 -0.952 12.582 -8.759 741 H ILE 71 H ILE 71 -1.413 10.057 -6.954 742 HA ILE 71 HA ILE 71 -3.971 10.974 -5.890 743 HB ILE 71 HB ILE 71 -3.684 8.655 -6.762 744 1HG1 ILE 71 1HG1 ILE 71 -4.334 8.511 -3.832 745 2HG1 ILE 71 2HG1 ILE 71 -5.309 9.516 -4.884 746 1HG2 ILE 71 3HG2 ILE 71 -1.303 8.525 -5.692 747 2HG2 ILE 71 1HG2 ILE 71 -2.190 7.970 -4.252 748 3HG2 ILE 71 2HG2 ILE 71 -2.326 7.071 -5.783 749 1HD1 ILE 71 2HD1 ILE 71 -5.477 7.438 -6.440 750 2HD1 ILE 71 3HD1 ILE 71 -4.857 6.516 -5.048 751 3HD1 ILE 71 1HD1 ILE 71 -6.397 7.399 -4.916 752 MG ILE 71 QG2 ILE 71 -1.939 7.855 -5.242 753 MD ILE 71 QD1 ILE 71 -5.577 7.118 -5.468 754 QG ILE 71 QG1 ILE 71 -4.822 9.014 -4.358 755 H ALA 72 H ALA 72 -4.161 10.388 -3.377 756 HA ALA 72 HA ALA 72 -1.739 11.462 -2.100 757 1HB ALA 72 1HB ALA 72 -3.004 13.250 -1.573 758 2HB ALA 72 3HB ALA 72 -3.936 12.169 -0.510 759 3HB ALA 72 2HB ALA 72 -4.482 12.465 -2.177 760 MB ALA 72 QB ALA 72 -3.808 12.628 -1.420 761 H TYR 73 H TYR 73 -0.841 10.013 -0.731 762 HA TYR 73 HA TYR 73 -2.675 8.150 0.616 763 1HB TYR 73 1HB TYR 73 -0.386 6.718 0.413 764 2HB TYR 73 2HB TYR 73 -1.520 6.747 -0.923 765 HD1 TYR 73 HD1 TYR 73 1.850 7.221 0.000 766 HD2 TYR 73 HD2 TYR 73 -1.137 8.708 -2.678 767 HE1 TYR 73 HE1 TYR 73 3.664 8.132 -1.531 768 HE2 TYR 73 HE2 TYR 73 0.688 9.613 -4.200 769 HH TYR 73 HH TYR 73 2.808 9.935 -4.469 770 QB TYR 73 QB TYR 73 -0.953 6.732 -0.255 771 QD TYR 73 QD TYR 73 0.357 7.965 -1.339 772 QE TYR 73 QE TYR 73 2.176 8.873 -2.866 773 QR TYR 73 QR TYR 73 1.266 8.419 -2.102 774 H SER 74 H SER 74 -0.889 6.877 2.292 775 HA SER 74 HA SER 74 0.793 8.795 3.536 776 1HB SER 74 1HB SER 74 -1.666 9.259 4.322 777 2HB SER 74 2HB SER 74 -1.495 7.784 5.252 778 HG SER 74 HG SER 74 0.401 9.963 5.411 779 QB SER 74 QB SER 74 -1.580 8.521 4.787 780 H ILE 75 H ILE 75 2.139 7.786 5.222 781 HA ILE 75 HA ILE 75 2.100 4.870 4.973 782 HB ILE 75 HB ILE 75 4.313 6.755 5.795 783 1HG1 ILE 75 1HG1 ILE 75 4.430 5.130 3.298 784 2HG1 ILE 75 2HG1 ILE 75 3.364 6.520 3.293 785 1HG2 ILE 75 1HG2 ILE 75 4.042 3.802 5.849 786 2HG2 ILE 75 2HG2 ILE 75 5.565 4.449 5.193 787 3HG2 ILE 75 3HG2 ILE 75 5.045 4.889 6.838 788 1HD1 ILE 75 2HD1 ILE 75 5.999 7.090 4.518 789 2HD1 ILE 75 3HD1 ILE 75 6.093 6.603 2.808 790 3HD1 ILE 75 1HD1 ILE 75 5.099 8.002 3.282 791 MG ILE 75 QG2 ILE 75 4.884 4.380 5.960 792 MD ILE 75 QD1 ILE 75 5.730 7.231 3.536 793 QG ILE 75 QG1 ILE 75 3.897 5.825 3.296 794 H MET 76 H MET 76 1.082 3.823 6.590 795 HA MET 76 HA MET 76 0.664 5.156 9.064 796 1HB MET 76 1HB MET 76 -1.102 3.713 8.222 797 2HB MET 76 2HB MET 76 0.012 2.391 7.935 798 1HG MET 76 1HG MET 76 -0.067 1.675 10.120 799 2HG MET 76 2HG MET 76 -0.031 3.306 10.762 800 1HE MET 76 3HE MET 76 -1.394 1.041 11.868 801 2HE MET 76 1HE MET 76 -2.357 2.315 12.653 802 3HE MET 76 2HE MET 76 -3.171 0.988 11.791 803 QB MET 76 QB MET 76 -0.545 3.052 8.079 804 QG MET 76 QG MET 76 -0.049 2.490 10.441 805 ME MET 76 QE MET 76 -2.307 1.448 12.104 806 H ILE 77 H ILE 77 1.514 1.688 8.961 807 HA ILE 77 HA ILE 77 3.422 2.140 11.072 808 HB ILE 77 HB ILE 77 3.575 -0.402 10.915 809 1HG1 ILE 77 1HG1 ILE 77 1.004 -0.215 9.359 810 2HG1 ILE 77 2HG1 ILE 77 2.540 -0.304 8.521 811 1HG2 ILE 77 2HG2 ILE 77 1.605 1.356 12.048 812 2HG2 ILE 77 3HG2 ILE 77 0.849 -0.198 11.625 813 3HG2 ILE 77 1HG2 ILE 77 2.273 -0.163 12.693 814 1HD1 ILE 77 1HD1 ILE 77 2.664 -2.286 10.565 815 2HD1 ILE 77 2HD1 ILE 77 1.057 -2.433 9.816 816 3HD1 ILE 77 3HD1 ILE 77 2.520 -2.547 8.810 817 MG ILE 77 QG2 ILE 77 1.576 0.332 12.122 818 MD ILE 77 QD1 ILE 77 2.080 -2.422 9.730 819 QG ILE 77 QG1 ILE 77 1.772 -0.260 8.940 820 H GLU 78 H GLU 78 5.527 0.630 10.843 821 HA GLU 78 HA GLU 78 6.549 0.647 8.179 822 1HB GLU 78 1HB GLU 78 6.872 3.025 9.317 823 2HB GLU 78 2HB GLU 78 8.177 2.230 10.174 824 1HG GLU 78 1HG GLU 78 8.655 1.375 7.590 825 2HG GLU 78 2HG GLU 78 7.970 2.960 7.290 826 QB GLU 78 QB GLU 78 7.524 2.628 9.745 827 QG GLU 78 QG GLU 78 8.313 2.167 7.440 828 H ASP 79 H ASP 79 9.369 0.809 9.572 829 HA ASP 79 HA ASP 79 9.227 -1.669 11.054 830 1HB ASP 79 1HB ASP 79 9.809 -1.879 8.446 831 2HB ASP 79 2HB ASP 79 11.394 -1.345 8.970 832 QB ASP 79 QB ASP 79 10.602 -1.612 8.708 833 H VAL 80 H VAL 80 9.585 0.747 12.280 834 HA VAL 80 HA VAL 80 12.459 1.256 12.397 835 HB VAL 80 HB VAL 80 10.590 3.028 12.080 836 1HG1 VAL 80 2HG1 VAL 80 9.346 2.077 14.141 837 2HG1 VAL 80 3HG1 VAL 80 10.540 2.986 15.098 838 3HG1 VAL 80 1HG1 VAL 80 9.467 3.844 13.966 839 1HG2 VAL 80 3HG2 VAL 80 13.086 3.343 12.592 840 2HG2 VAL 80 1HG2 VAL 80 11.991 4.689 12.992 841 3HG2 VAL 80 2HG2 VAL 80 12.583 3.609 14.278 842 MG1 VAL 80 QG1 VAL 80 9.784 2.969 14.402 843 MG2 VAL 80 QG2 VAL 80 12.553 3.880 13.287 844 QG VAL 80 QQG VAL 80 11.169 3.425 13.845 845 H GLN 81 H GLN 81 13.602 0.112 13.865 846 HA GLN 81 HA GLN 81 12.651 -1.587 15.668 847 1HB GLN 81 1HB GLN 81 14.808 -1.459 16.797 848 2HB GLN 81 2HB GLN 81 15.057 -1.262 15.073 849 1HG GLN 81 1HG GLN 81 15.070 1.247 15.403 850 2HG GLN 81 2HG GLN 81 14.935 0.993 17.132 851 1HE2 GLN 81 1HE2 GLN 81 16.784 1.374 18.068 852 2HE2 GLN 81 2HE2 GLN 81 18.354 0.857 17.550 853 QB GLN 81 QB GLN 81 14.933 -1.360 15.935 854 QG GLN 81 QG GLN 81 15.003 1.120 16.268 855 QE GLN 81 QE2 GLN 81 17.569 1.116 17.809 No H/Q in entry = 855 Start of MODEL 20 1 H MET 1 H MET 1 7.419 -21.204 -3.553 2 HA MET 1 HA MET 1 6.437 -23.394 -2.259 3 1HB MET 1 1HB MET 1 9.249 -22.251 -2.616 4 2HB MET 1 2HB MET 1 9.011 -23.787 -1.806 5 1HG MET 1 1HG MET 1 8.123 -24.828 -3.762 6 2HG MET 1 2HG MET 1 7.753 -23.296 -4.527 7 1HE MET 1 3HE MET 1 8.675 -25.014 -6.205 8 2HE MET 1 1HE MET 1 9.510 -23.660 -7.002 9 3HE MET 1 2HE MET 1 10.396 -25.160 -6.637 10 QB MET 1 QB MET 1 9.130 -23.019 -2.211 11 QG MET 1 QG MET 1 7.938 -24.062 -4.145 12 ME MET 1 QE MET 1 9.527 -24.611 -6.615 13 H ARG 2 H ARG 2 7.129 -24.342 -0.107 14 HA ARG 2 HA ARG 2 6.349 -22.696 1.924 15 1HB ARG 2 1HB ARG 2 7.208 -24.500 3.439 16 2HB ARG 2 2HB ARG 2 6.297 -25.155 2.093 17 1HG ARG 2 1HG ARG 2 8.829 -25.104 1.007 18 2HG ARG 2 2HG ARG 2 9.212 -25.373 2.696 19 1HD ARG 2 1HD ARG 2 6.969 -27.071 1.953 20 2HD ARG 2 2HD ARG 2 8.261 -27.290 0.790 21 HE ARG 2 HE ARG 2 9.628 -28.215 2.478 22 1HH1 ARG 2 2HH1 ARG 2 9.983 -29.136 4.539 23 2HH1 ARG 2 1HH1 ARG 2 8.864 -28.835 5.826 24 1HH2 ARG 2 2HH2 ARG 2 6.737 -26.796 3.897 25 2HH2 ARG 2 1HH2 ARG 2 7.006 -27.494 5.458 26 QB ARG 2 QB ARG 2 6.753 -24.827 2.766 27 QG ARG 2 QG ARG 2 9.021 -25.239 1.851 28 QD ARG 2 QD ARG 2 7.615 -27.181 1.372 29 QH1 ARG 2 QH1 ARG 2 9.424 -28.986 5.182 30 QH2 ARG 2 QH2 ARG 2 6.872 -27.145 4.677 31 H SER 3 H SER 3 9.467 -23.054 0.355 32 HA SER 3 HA SER 3 10.539 -21.130 2.233 33 1HB SER 3 1HB SER 3 11.795 -23.797 1.512 34 2HB SER 3 2HB SER 3 12.791 -22.447 2.016 35 HG SER 3 HG SER 3 11.877 -24.079 3.691 36 QB SER 3 QB SER 3 12.293 -23.122 1.764 37 H LEU 4 H LEU 4 11.224 -19.393 1.041 38 HA LEU 4 HA LEU 4 12.369 -19.963 -1.598 39 1HB LEU 4 1HB LEU 4 11.158 -18.262 -2.629 40 2HB LEU 4 2HB LEU 4 9.985 -19.181 -1.708 41 HG LEU 4 HG LEU 4 11.210 -16.636 -0.637 42 1HD1 LEU 4 2HD1 LEU 4 9.063 -16.980 -2.676 43 2HD1 LEU 4 3HD1 LEU 4 8.829 -15.744 -1.418 44 3HD1 LEU 4 1HD1 LEU 4 10.262 -15.681 -2.471 45 1HD2 LEU 4 2HD2 LEU 4 8.997 -18.465 0.169 46 2HD2 LEU 4 3HD2 LEU 4 10.177 -17.575 1.161 47 3HD2 LEU 4 1HD2 LEU 4 8.784 -16.721 0.453 48 MD1 LEU 4 QD1 LEU 4 9.384 -16.135 -2.188 49 MD2 LEU 4 QD2 LEU 4 9.319 -17.587 0.594 50 QB LEU 4 QB LEU 4 10.572 -18.721 -2.169 51 QD LEU 4 QQD LEU 4 9.352 -16.861 -0.797 52 H GLU 5 H GLU 5 13.222 -17.469 -2.326 53 HA GLU 5 HA GLU 5 15.494 -17.191 -0.802 54 1HB GLU 5 1HB GLU 5 14.863 -16.386 -3.243 55 2HB GLU 5 2HB GLU 5 14.396 -14.898 -2.443 56 1HG GLU 5 1HG GLU 5 16.653 -14.481 -2.948 57 2HG GLU 5 2HG GLU 5 16.755 -15.033 -1.289 58 QB GLU 5 QB GLU 5 14.630 -15.642 -2.843 59 QG GLU 5 QG GLU 5 16.704 -14.757 -2.118 60 H THR 6 H THR 6 16.206 -15.550 0.700 61 HA THR 6 HA THR 6 14.508 -14.925 2.728 62 HB THR 6 HB THR 6 16.283 -13.132 3.225 63 HG1 THR 6 HG1 THR 6 17.468 -12.585 1.438 64 1HG2 THR 6 3HG2 THR 6 16.564 -15.831 3.449 65 2HG2 THR 6 1HG2 THR 6 17.808 -15.521 2.214 66 3HG2 THR 6 2HG2 THR 6 17.901 -14.711 3.796 67 MG THR 6 QG2 THR 6 17.424 -15.354 3.153 68 H PHE 7 H PHE 7 13.880 -12.645 3.506 69 HA PHE 7 HA PHE 7 13.141 -10.847 1.396 70 1HB PHE 7 1HB PHE 7 11.409 -12.879 1.725 71 2HB PHE 7 2HB PHE 7 10.947 -12.012 3.176 72 HD1 PHE 7 HD1 PHE 7 11.545 -11.264 -0.440 73 HD2 PHE 7 HD2 PHE 7 9.148 -10.593 2.997 74 HE1 PHE 7 HE1 PHE 7 10.007 -9.815 -1.796 75 HE2 PHE 7 HE2 PHE 7 7.610 -9.145 1.641 76 HZ PHE 7 HZ PHE 7 8.058 -8.774 -0.739 77 QB PHE 7 QB PHE 7 11.178 -12.446 2.451 78 QD PHE 7 QD PHE 7 10.347 -10.929 1.278 79 QE PHE 7 QE PHE 7 8.809 -9.480 -0.077 80 QR PHE 7 QR PHE 7 9.274 -9.918 0.333 81 H VAL 8 H VAL 8 11.280 -9.266 2.677 82 HA VAL 8 HA VAL 8 12.602 -8.634 5.225 83 HB VAL 8 HB VAL 8 13.059 -7.166 3.133 84 1HG1 VAL 8 3HG1 VAL 8 10.284 -7.025 3.096 85 2HG1 VAL 8 1HG1 VAL 8 10.774 -5.468 3.806 86 3HG1 VAL 8 2HG1 VAL 8 11.408 -5.960 2.217 87 1HG2 VAL 8 1HG2 VAL 8 13.011 -6.686 5.891 88 2HG2 VAL 8 2HG2 VAL 8 13.851 -5.728 4.648 89 3HG2 VAL 8 3HG2 VAL 8 12.212 -5.269 5.168 90 MG1 VAL 8 QG1 VAL 8 10.822 -6.151 3.040 91 MG2 VAL 8 QG2 VAL 8 13.025 -5.894 5.236 92 QG VAL 8 QQG VAL 8 11.924 -6.022 4.138 93 H GLY 9 H GLY 9 10.634 -6.356 5.520 94 1HA GLY 9 2HA GLY 9 8.861 -6.469 7.083 95 2HA GLY 9 1HA GLY 9 8.375 -8.018 6.422 96 QA GLY 9 QA GLY 9 8.618 -7.243 6.752 97 H ASP 10 H ASP 10 6.233 -6.646 6.503 98 HA ASP 10 HA ASP 10 5.862 -5.704 3.804 99 1HB ASP 10 1HB ASP 10 3.375 -5.587 4.852 100 2HB ASP 10 2HB ASP 10 4.064 -7.079 4.240 101 QB ASP 10 QB ASP 10 3.719 -6.333 4.546 102 H GLN 11 H GLN 11 3.889 -3.843 3.890 103 HA GLN 11 HA GLN 11 4.168 -2.033 6.041 104 1HB GLN 11 1HB GLN 11 6.288 -1.603 4.732 105 2HB GLN 11 2HB GLN 11 5.307 -1.152 3.353 106 1HG GLN 11 1HG GLN 11 4.145 0.524 5.030 107 2HG GLN 11 2HG GLN 11 5.563 0.263 6.026 108 1HE2 GLN 11 1HE2 GLN 11 7.692 0.471 4.905 109 2HE2 GLN 11 2HE2 GLN 11 7.897 1.760 3.767 110 QB GLN 11 QB GLN 11 5.797 -1.378 4.042 111 QG GLN 11 QG GLN 11 4.854 0.393 5.528 112 QE GLN 11 QE2 GLN 11 7.794 1.115 4.336 113 H VAL 12 H VAL 12 2.260 -0.900 6.210 114 HA VAL 12 HA VAL 12 0.462 -1.090 3.913 115 HB VAL 12 HB VAL 12 -0.426 -0.139 6.588 116 1HG1 VAL 12 1HG1 VAL 12 -1.676 -0.856 4.225 117 2HG1 VAL 12 2HG1 VAL 12 -1.897 -2.294 5.251 118 3HG1 VAL 12 3HG1 VAL 12 -2.457 -0.703 5.818 119 1HG2 VAL 12 3HG2 VAL 12 0.400 -3.001 6.014 120 2HG2 VAL 12 1HG2 VAL 12 1.011 -1.927 7.296 121 3HG2 VAL 12 2HG2 VAL 12 -0.666 -2.519 7.357 122 MG1 VAL 12 QG1 VAL 12 -2.010 -1.284 5.098 123 MG2 VAL 12 QG2 VAL 12 0.248 -2.482 6.889 124 QG VAL 12 QQG VAL 12 -0.881 -1.883 5.994 125 H LEU 13 H LEU 13 -1.064 0.881 3.666 126 HA LEU 13 HA LEU 13 0.071 3.384 4.493 127 1HB LEU 13 1HB LEU 13 0.688 4.242 2.418 128 2HB LEU 13 2HB LEU 13 1.449 2.667 2.519 129 HG LEU 13 HG LEU 13 -1.086 2.320 1.248 130 1HD1 LEU 13 2HD1 LEU 13 -0.940 4.765 0.795 131 2HD1 LEU 13 3HD1 LEU 13 0.576 4.469 -0.090 132 3HD1 LEU 13 1HD1 LEU 13 -0.948 3.756 -0.672 133 1HD2 LEU 13 2HD2 LEU 13 1.445 1.312 1.051 134 2HD2 LEU 13 3HD2 LEU 13 0.122 0.996 -0.096 135 3HD2 LEU 13 1HD2 LEU 13 1.320 2.266 -0.445 136 MD1 LEU 13 QD1 LEU 13 -0.437 4.330 0.011 137 MD2 LEU 13 QD2 LEU 13 0.962 1.525 0.170 138 QB LEU 13 QB LEU 13 1.069 3.454 2.469 139 QD LEU 13 QQD LEU 13 0.263 2.927 0.091 140 H GLU 14 H GLU 14 -1.445 5.092 4.339 141 HA GLU 14 HA GLU 14 -4.114 4.103 3.785 142 1HB GLU 14 1HB GLU 14 -4.705 6.369 4.978 143 2HB GLU 14 2HB GLU 14 -4.124 5.021 5.936 144 1HG GLU 14 1HG GLU 14 -2.040 5.996 6.321 145 2HG GLU 14 2HG GLU 14 -2.044 6.873 4.803 146 QB GLU 14 QB GLU 14 -4.415 5.695 5.457 147 QG GLU 14 QG GLU 14 -2.042 6.435 5.562 148 H ILE 15 H ILE 15 -5.220 4.744 1.979 149 HA ILE 15 HA ILE 15 -4.129 7.068 0.548 150 HB ILE 15 HB ILE 15 -5.459 4.577 -0.522 151 1HG1 ILE 15 1HG1 ILE 15 -2.744 5.362 -1.397 152 2HG1 ILE 15 2HG1 ILE 15 -2.866 4.855 0.275 153 1HG2 ILE 15 2HG2 ILE 15 -4.877 7.225 -1.754 154 2HG2 ILE 15 3HG2 ILE 15 -4.556 5.770 -2.727 155 3HG2 ILE 15 1HG2 ILE 15 -6.187 6.064 -2.079 156 1HD1 ILE 15 1HD1 ILE 15 -4.412 2.930 -0.938 157 2HD1 ILE 15 2HD1 ILE 15 -3.218 3.267 -2.214 158 3HD1 ILE 15 3HD1 ILE 15 -2.674 2.749 -0.600 159 MG ILE 15 QG2 ILE 15 -5.207 6.353 -2.187 160 MD ILE 15 QD1 ILE 15 -3.435 2.982 -1.250 161 QG ILE 15 QG1 ILE 15 -2.805 5.109 -0.561 162 H VAL 16 H VAL 16 -5.621 8.569 -0.374 163 HA VAL 16 HA VAL 16 -8.383 8.225 0.552 164 HB VAL 16 HB VAL 16 -6.736 10.756 0.730 165 1HG1 VAL 16 2HG1 VAL 16 -9.577 10.142 1.610 166 2HG1 VAL 16 3HG1 VAL 16 -8.688 11.640 1.974 167 3HG1 VAL 16 1HG1 VAL 16 -9.082 11.226 0.289 168 1HG2 VAL 16 2HG2 VAL 16 -7.327 8.585 2.693 169 2HG2 VAL 16 3HG2 VAL 16 -5.891 9.626 2.527 170 3HG2 VAL 16 1HG2 VAL 16 -7.371 10.265 3.280 171 MG1 VAL 16 QG1 VAL 16 -9.116 11.003 1.291 172 MG2 VAL 16 QG2 VAL 16 -6.863 9.492 2.833 173 QG VAL 16 QQG VAL 16 -7.989 10.247 2.062 174 HA PRO 17 HA PRO 17 -8.446 9.097 -3.818 175 1HB PRO 17 1HB PRO 17 -10.575 7.495 -4.423 176 2HB PRO 17 2HB PRO 17 -8.913 6.944 -4.484 177 1HG PRO 17 1HG PRO 17 -10.985 6.364 -2.458 178 2HG PRO 17 2HG PRO 17 -9.488 5.509 -2.772 179 1HD PRO 17 1HD PRO 17 -10.005 7.330 -0.616 180 2HD PRO 17 2HD PRO 17 -8.475 6.566 -0.998 181 QB PRO 17 QB PRO 17 -9.744 7.219 -4.454 182 QG PRO 17 QG PRO 17 -10.236 5.936 -2.615 183 QD PRO 17 QD PRO 17 -9.240 6.948 -0.807 184 H SER 18 H SER 18 -10.507 9.600 -5.343 185 HA SER 18 HA SER 18 -12.544 10.874 -3.845 186 1HB SER 18 1HB SER 18 -10.624 12.533 -3.721 187 2HB SER 18 2HB SER 18 -10.686 12.668 -5.468 188 HG SER 18 HG SER 18 -12.244 14.102 -5.215 189 QB SER 18 QB SER 18 -10.655 12.601 -4.594 190 H ASN 19 H ASN 19 -10.756 10.528 -6.963 191 HA ASN 19 HA ASN 19 -13.266 10.836 -8.368 192 1HB ASN 19 1HB ASN 19 -10.345 10.972 -9.095 193 2HB ASN 19 2HB ASN 19 -11.431 10.411 -10.351 194 1HD2 ASN 19 1HD2 ASN 19 -9.889 13.012 -9.355 195 2HD2 ASN 19 2HD2 ASN 19 -10.979 14.291 -9.772 196 QB ASN 19 QB ASN 19 -10.888 10.692 -9.723 197 QD ASN 19 QD2 ASN 19 -10.434 13.651 -9.564 198 H GLU 20 H GLU 20 -12.941 9.199 -10.590 199 HA GLU 20 HA GLU 20 -13.080 6.596 -9.367 200 1HB GLU 20 1HB GLU 20 -14.063 7.852 -11.904 201 2HB GLU 20 2HB GLU 20 -13.720 6.135 -11.968 202 1HG GLU 20 1HG GLU 20 -15.861 5.935 -11.164 203 2HG GLU 20 2HG GLU 20 -15.100 6.220 -9.613 204 QB GLU 20 QB GLU 20 -13.891 6.994 -11.936 205 QG GLU 20 QG GLU 20 -15.481 6.077 -10.389 206 H GLU 21 H GLU 21 -11.018 8.536 -11.489 207 HA GLU 21 HA GLU 21 -9.664 6.456 -12.720 208 1HB GLU 21 1HB GLU 21 -9.337 8.567 -13.694 209 2HB GLU 21 2HB GLU 21 -9.071 9.359 -12.155 210 1HG GLU 21 1HG GLU 21 -6.936 9.188 -13.348 211 2HG GLU 21 2HG GLU 21 -6.879 8.169 -11.923 212 QB GLU 21 QB GLU 21 -9.204 8.963 -12.924 213 QG GLU 21 QG GLU 21 -6.908 8.678 -12.635 214 H GLN 22 H GLN 22 -8.880 8.375 -9.737 215 HA GLN 22 HA GLN 22 -6.532 7.052 -9.175 216 1HB GLN 22 1HB GLN 22 -8.488 8.724 -7.637 217 2HB GLN 22 2HB GLN 22 -7.352 7.783 -6.692 218 1HG GLN 22 1HG GLN 22 -5.701 9.267 -7.138 219 2HG GLN 22 2HG GLN 22 -5.882 8.989 -8.859 220 1HE2 GLN 22 1HE2 GLN 22 -6.646 11.003 -6.156 221 2HE2 GLN 22 2HE2 GLN 22 -7.388 12.317 -7.007 222 QB GLN 22 QB GLN 22 -7.920 8.253 -7.165 223 QG GLN 22 QG GLN 22 -5.791 9.128 -7.998 224 QE GLN 22 QE2 GLN 22 -7.017 11.660 -6.582 225 H ILE 23 H ILE 23 -9.941 6.222 -8.519 226 HA ILE 23 HA ILE 23 -9.268 4.098 -6.724 227 HB ILE 23 HB ILE 23 -11.756 5.186 -7.970 228 1HG1 ILE 23 1HG1 ILE 23 -10.957 4.612 -5.101 229 2HG1 ILE 23 2HG1 ILE 23 -10.819 6.166 -5.897 230 1HG2 ILE 23 3HG2 ILE 23 -11.354 2.396 -7.009 231 2HG2 ILE 23 1HG2 ILE 23 -12.842 3.236 -6.512 232 3HG2 ILE 23 2HG2 ILE 23 -12.463 3.044 -8.240 233 1HD1 ILE 23 2HD1 ILE 23 -13.369 5.902 -6.425 234 2HD1 ILE 23 3HD1 ILE 23 -13.337 4.640 -5.171 235 3HD1 ILE 23 1HD1 ILE 23 -12.891 6.313 -4.761 236 MG ILE 23 QG2 ILE 23 -12.220 2.892 -7.254 237 MD ILE 23 QD1 ILE 23 -13.199 5.619 -5.452 238 QG ILE 23 QG1 ILE 23 -10.888 5.389 -5.499 239 H LYS 24 H LYS 24 -10.078 4.470 -10.206 240 HA LYS 24 HA LYS 24 -10.117 1.660 -10.660 241 1HB LYS 24 1HB LYS 24 -11.416 2.789 -12.185 242 2HB LYS 24 2HB LYS 24 -10.310 4.142 -12.315 243 1HG LYS 24 1HG LYS 24 -8.669 2.632 -13.515 244 2HG LYS 24 2HG LYS 24 -9.857 1.345 -13.459 245 1HD LYS 24 1HD LYS 24 -11.122 2.259 -15.143 246 2HD LYS 24 2HD LYS 24 -10.938 3.891 -14.532 247 1HE LYS 24 1HE LYS 24 -8.346 3.218 -15.406 248 2HE LYS 24 2HE LYS 24 -9.388 2.490 -16.612 249 1HZ LYS 24 2HZ LYS 24 -10.544 4.701 -16.657 250 2HZ LYS 24 3HZ LYS 24 -9.286 5.303 -15.808 251 3HZ LYS 24 1HZ LYS 24 -9.039 4.668 -17.292 252 QB LYS 24 QB LYS 24 -10.863 3.466 -12.250 253 QD LYS 24 QD LYS 24 -11.030 3.075 -14.837 254 QG LYS 24 QG LYS 24 -9.263 1.989 -13.487 255 QE LYS 24 QE LYS 24 -8.867 2.854 -16.009 256 QZ LYS 24 QZ LYS 24 -9.623 4.890 -16.586 257 H ASN 25 H ASN 25 -7.644 3.926 -10.010 258 HA ASN 25 HA ASN 25 -5.698 2.857 -11.741 259 1HB ASN 25 1HB ASN 25 -5.775 4.769 -9.419 260 2HB ASN 25 2HB ASN 25 -4.223 4.023 -9.746 261 1HD2 ASN 25 1HD2 ASN 25 -3.806 3.864 -12.251 262 2HD2 ASN 25 2HD2 ASN 25 -3.971 5.354 -13.118 263 QB ASN 25 QB ASN 25 -4.999 4.396 -9.583 264 QD ASN 25 QD2 ASN 25 -3.888 4.609 -12.685 265 H LEU 26 H LEU 26 -6.731 2.396 -8.312 266 HA LEU 26 HA LEU 26 -4.602 0.722 -7.565 267 1HB LEU 26 1HB LEU 26 -7.250 1.505 -6.482 268 2HB LEU 26 2HB LEU 26 -6.566 0.011 -5.876 269 HG LEU 26 HG LEU 26 -5.398 2.793 -5.692 270 1HD1 LEU 26 2HD1 LEU 26 -6.815 0.967 -3.868 271 2HD1 LEU 26 3HD1 LEU 26 -5.339 1.696 -3.191 272 3HD1 LEU 26 1HD1 LEU 26 -6.635 2.738 -3.823 273 1HD2 LEU 26 3HD2 LEU 26 -4.014 0.201 -5.687 274 2HD2 LEU 26 1HD2 LEU 26 -3.378 1.851 -5.893 275 3HD2 LEU 26 2HD2 LEU 26 -3.679 1.211 -4.260 276 MD1 LEU 26 QD1 LEU 26 -6.263 1.800 -3.627 277 MD2 LEU 26 QD2 LEU 26 -3.690 1.088 -5.280 278 QB LEU 26 QB LEU 26 -6.908 0.758 -6.179 279 QD LEU 26 QQD LEU 26 -4.976 1.444 -4.454 280 H LEU 27 H LEU 27 -7.888 0.105 -8.925 281 HA LEU 27 HA LEU 27 -7.916 -2.628 -8.699 282 1HB LEU 27 1HB LEU 27 -9.126 -0.657 -10.592 283 2HB LEU 27 2HB LEU 27 -9.272 -2.367 -10.944 284 HG LEU 27 HG LEU 27 -10.331 -0.868 -8.544 285 1HD1 LEU 27 3HD1 LEU 27 -11.535 -2.238 -10.924 286 2HD1 LEU 27 1HD1 LEU 27 -12.450 -2.138 -9.401 287 3HD1 LEU 27 2HD1 LEU 27 -11.905 -0.650 -10.211 288 1HD2 LEU 27 3HD2 LEU 27 -9.691 -3.755 -8.826 289 2HD2 LEU 27 1HD2 LEU 27 -9.757 -2.723 -7.378 290 3HD2 LEU 27 2HD2 LEU 27 -11.262 -3.342 -8.098 291 MD1 LEU 27 QD1 LEU 27 -11.964 -1.676 -10.179 292 MD2 LEU 27 QD2 LEU 27 -10.237 -3.273 -8.101 293 QB LEU 27 QB LEU 27 -9.199 -1.512 -10.768 294 QD LEU 27 QQD LEU 27 -11.100 -2.474 -9.140 295 H GLN 28 H GLN 28 -6.672 -0.650 -11.482 296 HA GLN 28 HA GLN 28 -5.796 -2.767 -12.968 297 1HB GLN 28 1HB GLN 28 -5.876 -0.124 -13.378 298 2HB GLN 28 2HB GLN 28 -4.186 -0.216 -12.920 299 1HG GLN 28 1HG GLN 28 -4.750 -2.378 -14.764 300 2HG GLN 28 2HG GLN 28 -5.376 -0.893 -15.450 301 1HE2 GLN 28 1HE2 GLN 28 -2.534 -2.329 -13.903 302 2HE2 GLN 28 2HE2 GLN 28 -1.329 -1.394 -14.723 303 QB GLN 28 QB GLN 28 -5.031 -0.170 -13.149 304 QG GLN 28 QG GLN 28 -5.063 -1.635 -15.107 305 QE GLN 28 QE2 GLN 28 -1.931 -1.862 -14.313 306 H LEU 29 H LEU 29 -4.264 -1.087 -10.201 307 HA LEU 29 HA LEU 29 -1.727 -2.287 -10.531 308 1HB LEU 29 1HB LEU 29 -1.752 -0.312 -9.327 309 2HB LEU 29 2HB LEU 29 -3.138 -0.781 -8.363 310 HG LEU 29 HG LEU 29 -1.675 -2.494 -7.229 311 1HD1 LEU 29 2HD1 LEU 29 0.366 -1.224 -9.017 312 2HD1 LEU 29 3HD1 LEU 29 0.850 -1.798 -7.403 313 3HD1 LEU 29 1HD1 LEU 29 0.135 -2.933 -8.574 314 1HD2 LEU 29 1HD2 LEU 29 -1.863 0.321 -6.843 315 2HD2 LEU 29 2HD2 LEU 29 -1.602 -0.958 -5.633 316 3HD2 LEU 29 3HD2 LEU 29 -0.209 -0.184 -6.426 317 MD1 LEU 29 QD1 LEU 29 0.450 -1.985 -8.331 318 MD2 LEU 29 QD2 LEU 29 -1.225 -0.274 -6.301 319 QB LEU 29 QB LEU 29 -2.445 -0.547 -8.845 320 QD LEU 29 QQD LEU 29 -0.387 -1.129 -7.316 321 H GLU 30 H GLU 30 -4.329 -2.908 -8.063 322 HA GLU 30 HA GLU 30 -3.204 -5.180 -7.067 323 1HB GLU 30 1HB GLU 30 -5.349 -3.752 -6.392 324 2HB GLU 30 2HB GLU 30 -6.206 -4.971 -7.314 325 1HG GLU 30 1HG GLU 30 -4.247 -6.250 -5.570 326 2HG GLU 30 2HG GLU 30 -5.262 -5.174 -4.631 327 QB GLU 30 QB GLU 30 -5.778 -4.361 -6.853 328 QG GLU 30 QG GLU 30 -4.754 -5.712 -5.101 329 H ALA 31 H ALA 31 -4.811 -4.648 -10.139 330 HA ALA 31 HA ALA 31 -5.640 -7.301 -10.612 331 1HB ALA 31 1HB ALA 31 -5.897 -6.525 -12.918 332 2HB ALA 31 2HB ALA 31 -6.487 -5.277 -11.796 333 3HB ALA 31 3HB ALA 31 -4.897 -5.093 -12.574 334 MB ALA 31 QB ALA 31 -5.760 -5.632 -12.429 335 H GLN 32 H GLN 32 -2.610 -5.454 -11.225 336 HA GLN 32 HA GLN 32 -1.373 -7.275 -12.836 337 1HB GLN 32 1HB GLN 32 -0.477 -5.129 -10.949 338 2HB GLN 32 2HB GLN 32 0.748 -6.274 -11.455 339 1HG GLN 32 1HG GLN 32 -1.077 -4.831 -13.429 340 2HG GLN 32 2HG GLN 32 0.479 -4.192 -12.936 341 1HE2 GLN 32 1HE2 GLN 32 1.839 -4.449 -14.535 342 2HE2 GLN 32 2HE2 GLN 32 2.119 -5.891 -15.451 343 QB GLN 32 QB GLN 32 0.136 -5.701 -11.202 344 QG GLN 32 QG GLN 32 -0.299 -4.512 -13.182 345 QE GLN 32 QE2 GLN 32 1.979 -5.170 -14.993 346 H GLU 33 H GLU 33 -1.728 -9.456 -12.243 347 HA GLU 33 HA GLU 33 -1.723 -10.590 -9.863 348 1HB GLU 33 1HB GLU 33 -1.925 -11.676 -12.180 349 2HB GLU 33 2HB GLU 33 -0.178 -11.807 -12.187 350 1HG GLU 33 1HG GLU 33 -0.327 -13.070 -9.982 351 2HG GLU 33 2HG GLU 33 -2.073 -13.046 -10.138 352 QB GLU 33 QB GLU 33 -1.051 -11.742 -12.184 353 QG GLU 33 QG GLU 33 -1.200 -13.058 -10.060 354 H HIS 34 H HIS 34 1.251 -9.730 -11.735 355 HA HIS 34 HA HIS 34 3.188 -10.844 -10.282 356 1HB HIS 34 1HB HIS 34 3.330 -7.938 -11.097 357 2HB HIS 34 2HB HIS 34 4.637 -9.102 -11.008 358 HD1 HIS 34 HD1 HIS 34 4.211 -11.284 -12.772 359 HD2 HIS 34 HD2 HIS 34 2.407 -7.597 -13.638 360 HE1 HIS 34 HE1 HIS 34 3.638 -11.335 -15.257 361 HE2 HIS 34 HE2 HIS 34 2.483 -9.065 -15.719 362 QB HIS 34 QB HIS 34 3.984 -8.520 -11.053 363 H LEU 35 H LEU 35 1.264 -7.938 -9.363 364 HA LEU 35 HA LEU 35 2.718 -7.754 -6.864 365 1HB LEU 35 1HB LEU 35 0.687 -6.086 -8.300 366 2HB LEU 35 2HB LEU 35 0.929 -5.866 -6.578 367 HG LEU 35 HG LEU 35 2.910 -5.425 -8.814 368 1HD1 LEU 35 1HD1 LEU 35 1.237 -3.740 -7.116 369 2HD1 LEU 35 2HD1 LEU 35 2.953 -3.267 -7.080 370 3HD1 LEU 35 3HD1 LEU 35 2.087 -3.361 -8.633 371 1HD2 LEU 35 2HD2 LEU 35 3.455 -5.761 -5.866 372 2HD2 LEU 35 3HD2 LEU 35 4.257 -6.541 -7.251 373 3HD2 LEU 35 1HD2 LEU 35 4.521 -4.810 -6.927 374 MD1 LEU 35 QD1 LEU 35 2.092 -3.456 -7.610 375 MD2 LEU 35 QD2 LEU 35 4.077 -5.704 -6.681 376 QB LEU 35 QB LEU 35 0.808 -5.976 -7.439 377 QD LEU 35 QQD LEU 35 3.085 -4.580 -7.145 378 H GLN 36 H GLN 36 -0.832 -7.696 -7.617 379 HA GLN 36 HA GLN 36 -2.521 -8.711 -6.703 380 1HB GLN 36 1HB GLN 36 -0.353 -10.718 -6.222 381 2HB GLN 36 2HB GLN 36 -1.817 -10.925 -5.282 382 1HG GLN 36 1HG GLN 36 -2.676 -10.330 -7.940 383 2HG GLN 36 2HG GLN 36 -1.363 -11.479 -8.108 384 1HE2 GLN 36 1HE2 GLN 36 -4.113 -11.912 -8.687 385 2HE2 GLN 36 2HE2 GLN 36 -4.704 -13.183 -7.670 386 QB GLN 36 QB GLN 36 -1.085 -10.822 -5.752 387 QG GLN 36 QG GLN 36 -2.019 -10.904 -8.024 388 QE GLN 36 QE2 GLN 36 -4.409 -12.548 -8.178 389 H LEU 37 H LEU 37 -1.953 -6.521 -5.374 390 HA LEU 37 HA LEU 37 -1.294 -7.043 -2.627 391 1HB LEU 37 1HB LEU 37 -2.415 -4.455 -3.611 392 2HB LEU 37 2HB LEU 37 -1.222 -4.758 -2.363 393 HG LEU 37 HG LEU 37 0.075 -5.675 -4.609 394 1HD1 LEU 37 3HD1 LEU 37 -2.004 -3.790 -5.467 395 2HD1 LEU 37 1HD1 LEU 37 -0.361 -3.341 -5.983 396 3HD1 LEU 37 2HD1 LEU 37 -1.023 -4.936 -6.412 397 1HD2 LEU 37 2HD2 LEU 37 0.777 -4.115 -2.679 398 2HD2 LEU 37 3HD2 LEU 37 1.557 -3.913 -4.266 399 3HD2 LEU 37 1HD2 LEU 37 0.269 -2.794 -3.759 400 MD1 LEU 37 QD1 LEU 37 -1.129 -4.022 -5.954 401 MD2 LEU 37 QD2 LEU 37 0.868 -3.607 -3.568 402 QB LEU 37 QB LEU 37 -1.819 -4.606 -2.987 403 QD LEU 37 QQD LEU 37 -0.131 -3.815 -4.761 404 H ASP 38 H ASP 38 -2.799 -6.236 -0.847 405 HA ASP 38 HA ASP 38 -5.514 -6.998 -1.588 406 1HB ASP 38 1HB ASP 38 -3.773 -7.626 0.776 407 2HB ASP 38 2HB ASP 38 -5.470 -7.354 1.117 408 QB ASP 38 QB ASP 38 -4.622 -7.490 0.947 409 H PHE 39 H PHE 39 -7.119 -5.455 -1.106 410 HA PHE 39 HA PHE 39 -6.188 -3.022 0.202 411 1HB PHE 39 1HB PHE 39 -8.636 -3.849 -1.467 412 2HB PHE 39 2HB PHE 39 -8.482 -2.248 -0.770 413 HD1 PHE 39 HD1 PHE 39 -8.433 -3.619 -3.757 414 HD2 PHE 39 HD2 PHE 39 -5.695 -1.560 -1.252 415 HE1 PHE 39 HE1 PHE 39 -7.151 -2.862 -5.778 416 HE2 PHE 39 HE2 PHE 39 -4.414 -0.803 -3.273 417 HZ PHE 39 HZ PHE 39 -5.157 -1.463 -5.513 418 QB PHE 39 QB PHE 39 -8.559 -3.048 -1.118 419 QD PHE 39 QD PHE 39 -7.064 -2.589 -2.505 420 QE PHE 39 QE PHE 39 -5.783 -1.832 -4.526 421 QR PHE 39 QR PHE 39 -6.170 -2.061 -3.915 422 H TRP 40 H TRP 40 -6.878 -2.398 2.209 423 HA TRP 40 HA TRP 40 -8.382 -4.237 3.755 424 1HB TRP 40 1HB TRP 40 -7.151 -1.546 4.200 425 2HB TRP 40 2HB TRP 40 -8.317 -2.153 5.359 426 HD1 TRP 40 HD1 TRP 40 -6.332 -5.004 3.977 427 HE1 TRP 40 HE1 TRP 40 -4.455 -5.849 5.628 428 HE3 TRP 40 HE3 TRP 40 -6.589 -1.028 7.135 429 HZ2 TRP 40 HZ2 TRP 40 -3.315 -4.783 8.018 430 HZ3 TRP 40 HZ3 TRP 40 -5.060 -1.008 9.104 431 HH2 TRP 40 HH2 TRP 40 -3.463 -2.799 9.568 432 QB TRP 40 QB TRP 40 -7.734 -1.849 4.779 433 H LYS 41 H LYS 41 -9.008 -0.749 2.898 434 HA LYS 41 HA LYS 41 -11.861 -1.333 3.129 435 1HB LYS 41 1HB LYS 41 -10.152 1.080 3.503 436 2HB LYS 41 2HB LYS 41 -11.765 1.342 2.870 437 1HG LYS 41 1HG LYS 41 -12.245 -0.482 4.916 438 2HG LYS 41 2HG LYS 41 -10.921 0.456 5.576 439 1HD LYS 41 1HD LYS 41 -12.599 1.882 6.229 440 2HD LYS 41 2HD LYS 41 -12.446 2.495 4.595 441 1HE LYS 41 1HE LYS 41 -14.482 1.659 3.961 442 2HE LYS 41 2HE LYS 41 -14.200 0.119 4.748 443 1HZ LYS 41 3HZ LYS 41 -14.479 1.849 6.798 444 2HZ LYS 41 1HZ LYS 41 -15.578 2.394 5.722 445 3HZ LYS 41 2HZ LYS 41 -15.639 0.846 6.239 446 QB LYS 41 QB LYS 41 -10.959 1.211 3.187 447 QD LYS 41 QD LYS 41 -12.522 2.188 5.412 448 QG LYS 41 QG LYS 41 -11.583 -0.013 5.246 449 QE LYS 41 QE LYS 41 -14.341 0.889 4.354 450 QZ LYS 41 QZ LYS 41 -15.232 1.696 6.253 451 H SER 42 H SER 42 -12.786 -2.020 1.271 452 HA SER 42 HA SER 42 -11.795 -1.991 -1.173 453 1HB SER 42 1HB SER 42 -14.243 -1.835 -1.984 454 2HB SER 42 2HB SER 42 -13.859 -3.108 -0.842 455 HG SER 42 HG SER 42 -15.795 -2.014 -0.211 456 QB SER 42 QB SER 42 -14.051 -2.471 -1.413 457 HA PRO 43 HA PRO 43 -11.564 2.378 -1.919 458 1HB PRO 43 1HB PRO 43 -9.681 2.262 -3.897 459 2HB PRO 43 2HB PRO 43 -9.278 2.367 -2.194 460 1HG PRO 43 1HG PRO 43 -9.126 0.028 -3.994 461 2HG PRO 43 2HG PRO 43 -8.347 0.272 -2.443 462 1HD PRO 43 1HD PRO 43 -10.655 -1.349 -2.968 463 2HD PRO 43 2HD PRO 43 -9.946 -1.012 -1.402 464 QB PRO 43 QB PRO 43 -9.480 2.315 -3.045 465 QG PRO 43 QG PRO 43 -8.736 0.150 -3.219 466 QD PRO 43 QD PRO 43 -10.301 -1.180 -2.185 467 H THR 44 H THR 44 -12.967 -0.046 -3.552 468 HA THR 44 HA THR 44 -13.321 0.743 -6.113 469 HB THR 44 HB THR 44 -15.714 -0.090 -4.448 470 HG1 THR 44 HG1 THR 44 -13.193 -1.478 -5.024 471 1HG2 THR 44 3HG2 THR 44 -14.528 -0.671 -7.162 472 2HG2 THR 44 1HG2 THR 44 -15.382 -1.998 -6.339 473 3HG2 THR 44 2HG2 THR 44 -16.236 -0.478 -6.698 474 MG THR 44 QG2 THR 44 -15.382 -1.049 -6.733 475 H THR 45 H THR 45 -14.516 2.386 -3.208 476 HA THR 45 HA THR 45 -15.587 4.465 -4.995 477 HB THR 45 HB THR 45 -17.534 4.659 -3.604 478 HG1 THR 45 HG1 THR 45 -16.544 4.527 -1.537 479 1HG2 THR 45 1HG2 THR 45 -17.067 2.209 -4.793 480 2HG2 THR 45 2HG2 THR 45 -17.263 1.728 -3.092 481 3HG2 THR 45 3HG2 THR 45 -18.565 2.613 -3.922 482 MG THR 45 QG2 THR 45 -17.632 2.183 -3.936 483 HA PRO 46 HA PRO 46 -13.120 7.138 -2.723 484 1HB PRO 46 1HB PRO 46 -14.371 9.530 -3.149 485 2HB PRO 46 2HB PRO 46 -13.306 8.783 -4.323 486 1HG PRO 46 1HG PRO 46 -16.258 8.955 -4.344 487 2HG PRO 46 2HG PRO 46 -15.169 8.607 -5.673 488 1HD PRO 46 1HD PRO 46 -16.775 6.719 -4.230 489 2HD PRO 46 2HD PRO 46 -15.601 6.357 -5.480 490 QB PRO 46 QB PRO 46 -13.839 9.157 -3.736 491 QG PRO 46 QG PRO 46 -15.713 8.781 -5.008 492 QD PRO 46 QD PRO 46 -16.188 6.538 -4.855 493 H GLY 47 H GLY 47 -13.072 8.932 -0.999 494 1HA GLY 47 2HA GLY 47 -15.391 8.822 0.744 495 2HA GLY 47 1HA GLY 47 -13.939 9.785 0.944 496 QA GLY 47 QA GLY 47 -14.665 9.304 0.844 497 H GLU 48 H GLU 48 -14.273 6.215 0.403 498 HA GLU 48 HA GLU 48 -13.498 5.761 3.132 499 1HB GLU 48 1HB GLU 48 -13.836 3.565 1.085 500 2HB GLU 48 2HB GLU 48 -14.179 3.529 2.803 501 1HG GLU 48 1HG GLU 48 -15.771 4.995 0.651 502 2HG GLU 48 2HG GLU 48 -16.297 3.608 1.586 503 QB GLU 48 QB GLU 48 -14.007 3.547 1.944 504 QG GLU 48 QG GLU 48 -16.034 4.302 1.119 505 H THR 49 H THR 49 -11.331 6.160 3.496 506 HA THR 49 HA THR 49 -9.301 5.971 1.647 507 HB THR 49 HB THR 49 -7.852 5.971 3.678 508 HG1 THR 49 HG1 THR 49 -9.366 4.314 4.694 509 1HG2 THR 49 1HG2 THR 49 -9.576 7.982 3.103 510 2HG2 THR 49 2HG2 THR 49 -10.281 7.468 4.654 511 3HG2 THR 49 3HG2 THR 49 -8.584 8.001 4.580 512 MG THR 49 QG2 THR 49 -9.480 7.817 4.112 513 H ALA 50 H ALA 50 -7.446 4.425 1.574 514 HA ALA 50 HA ALA 50 -8.474 1.683 1.850 515 1HB ALA 50 3HB ALA 50 -8.021 1.357 -0.326 516 2HB ALA 50 1HB ALA 50 -7.675 3.096 -0.472 517 3HB ALA 50 2HB ALA 50 -6.358 1.955 -0.111 518 MB ALA 50 QB ALA 50 -7.351 2.136 -0.303 519 H HIS 51 H HIS 51 -6.801 0.031 2.301 520 HA HIS 51 HA HIS 51 -4.270 1.048 3.230 521 1HB HIS 51 1HB HIS 51 -5.743 -0.594 5.238 522 2HB HIS 51 2HB HIS 51 -4.475 0.594 5.469 523 HD1 HIS 51 HD1 HIS 51 -8.030 0.159 5.902 524 HD2 HIS 51 HD2 HIS 51 -5.530 3.384 4.927 525 HE1 HIS 51 HE1 HIS 51 -9.376 2.275 6.371 526 HE2 HIS 51 HE2 HIS 51 -7.768 4.223 5.805 527 QB HIS 51 QB HIS 51 -5.109 0.000 5.353 528 H VAL 52 H VAL 52 -3.205 -0.231 1.717 529 HA VAL 52 HA VAL 52 -3.778 -3.107 1.873 530 HB VAL 52 HB VAL 52 -4.101 -2.642 -0.317 531 1HG1 VAL 52 3HG1 VAL 52 -2.154 -0.354 0.034 532 2HG1 VAL 52 1HG1 VAL 52 -2.730 -0.871 -1.569 533 3HG1 VAL 52 2HG1 VAL 52 -3.891 -0.293 -0.350 534 1HG2 VAL 52 3HG2 VAL 52 -1.083 -2.924 -0.150 535 2HG2 VAL 52 1HG2 VAL 52 -2.283 -4.229 -0.300 536 3HG2 VAL 52 2HG2 VAL 52 -2.031 -3.092 -1.646 537 MG1 VAL 52 QG1 VAL 52 -2.925 -0.506 -0.628 538 MG2 VAL 52 QG2 VAL 52 -1.799 -3.415 -0.699 539 QG VAL 52 QQG VAL 52 -2.362 -1.961 -0.663 540 H ARG 53 H ARG 53 -2.075 -4.578 2.232 541 HA ARG 53 HA ARG 53 0.106 -3.395 3.628 542 1HB ARG 53 1HB ARG 53 -0.679 -6.292 3.050 543 2HB ARG 53 2HB ARG 53 0.748 -5.869 3.975 544 1HG ARG 53 1HG ARG 53 -1.047 -4.358 5.328 545 2HG ARG 53 2HG ARG 53 -2.156 -5.566 4.711 546 1HD ARG 53 1HD ARG 53 0.426 -6.302 6.166 547 2HD ARG 53 2HD ARG 53 -1.095 -6.068 7.006 548 HE ARG 53 HE ARG 53 -1.400 -7.901 4.772 549 1HH1 ARG 53 2HH1 ARG 53 -1.728 -10.121 5.205 550 2HH1 ARG 53 1HH1 ARG 53 -1.353 -10.762 6.770 551 1HH2 ARG 53 2HH2 ARG 53 -0.270 -7.684 8.098 552 2HH2 ARG 53 1HH2 ARG 53 -0.518 -9.365 8.427 553 QB ARG 53 QB ARG 53 0.034 -6.081 3.513 554 QG ARG 53 QG ARG 53 -1.601 -4.962 5.019 555 QD ARG 53 QD ARG 53 -0.334 -6.185 6.586 556 QH1 ARG 53 QH1 ARG 53 -1.541 -10.441 5.988 557 QH2 ARG 53 QH2 ARG 53 -0.394 -8.524 8.262 558 H VAL 54 H VAL 54 1.237 -2.307 1.853 559 HA VAL 54 HA VAL 54 2.125 -3.844 -0.386 560 HB VAL 54 HB VAL 54 1.573 -1.463 -0.515 561 1HG1 VAL 54 2HG1 VAL 54 3.810 -1.216 1.489 562 2HG1 VAL 54 3HG1 VAL 54 3.426 0.128 0.387 563 3HG1 VAL 54 1HG1 VAL 54 2.187 -0.485 1.509 564 1HG2 VAL 54 1HG2 VAL 54 4.459 -2.176 -1.125 565 2HG2 VAL 54 2HG2 VAL 54 3.051 -2.333 -2.203 566 3HG2 VAL 54 3HG2 VAL 54 3.637 -0.719 -1.732 567 MG1 VAL 54 QG1 VAL 54 3.141 -0.524 1.128 568 MG2 VAL 54 QG2 VAL 54 3.716 -1.743 -1.686 569 QG VAL 54 QQG VAL 54 3.428 -1.134 -0.279 570 HA PRO 55 HA PRO 55 5.737 -5.371 1.447 571 1HB PRO 55 1HB PRO 55 7.095 -6.165 -0.788 572 2HB PRO 55 2HB PRO 55 5.829 -7.123 -0.044 573 1HG PRO 55 1HG PRO 55 5.722 -5.514 -2.522 574 2HG PRO 55 2HG PRO 55 4.644 -6.790 -1.995 575 1HD PRO 55 1HD PRO 55 4.134 -3.968 -1.911 576 2HD PRO 55 2HD PRO 55 3.106 -5.239 -1.278 577 QB PRO 55 QB PRO 55 6.462 -6.644 -0.416 578 QG PRO 55 QG PRO 55 5.183 -6.152 -2.259 579 QD PRO 55 QD PRO 55 3.620 -4.603 -1.595 580 H PHE 56 H PHE 56 7.302 -4.325 2.486 581 HA PHE 56 HA PHE 56 8.092 -1.847 1.957 582 1HB PHE 56 1HB PHE 56 8.803 -3.797 3.700 583 2HB PHE 56 2HB PHE 56 10.183 -3.961 2.633 584 HD1 PHE 56 HD1 PHE 56 8.410 -0.855 3.663 585 HD2 PHE 56 HD2 PHE 56 11.966 -3.158 3.895 586 HE1 PHE 56 HE1 PHE 56 9.555 1.034 4.854 587 HE2 PHE 56 HE2 PHE 56 13.112 -1.268 5.086 588 HZ PHE 56 HZ PHE 56 11.893 0.805 5.552 589 QB PHE 56 QB PHE 56 9.493 -3.879 3.167 590 QD PHE 56 QD PHE 56 10.188 -2.006 3.779 591 QE PHE 56 QE PHE 56 11.333 -0.117 4.970 592 QR PHE 56 QR PHE 56 10.987 -0.688 4.610 593 H VAL 57 H VAL 57 9.157 -4.773 0.211 594 HA VAL 57 HA VAL 57 11.331 -3.524 -1.101 595 HB VAL 57 HB VAL 57 10.633 -6.042 -0.689 596 1HG1 VAL 57 1HG1 VAL 57 9.489 -5.431 -3.433 597 2HG1 VAL 57 2HG1 VAL 57 9.846 -7.069 -2.834 598 3HG1 VAL 57 3HG1 VAL 57 8.622 -6.069 -2.016 599 1HG2 VAL 57 2HG2 VAL 57 12.520 -4.675 -2.341 600 2HG2 VAL 57 3HG2 VAL 57 12.655 -6.286 -1.594 601 3HG2 VAL 57 1HG2 VAL 57 11.954 -6.115 -3.222 602 MG1 VAL 57 QG1 VAL 57 9.319 -6.190 -2.761 603 MG2 VAL 57 QG2 VAL 57 12.377 -5.692 -2.386 604 QG VAL 57 QQG VAL 57 10.848 -5.941 -2.573 605 H ASN 58 H ASN 58 7.919 -4.295 -2.068 606 HA ASN 58 HA ASN 58 8.307 -2.756 -4.458 607 1HB ASN 58 1HB ASN 58 6.846 -4.969 -4.055 608 2HB ASN 58 2HB ASN 58 5.620 -3.828 -3.539 609 1HD2 ASN 58 1HD2 ASN 58 4.570 -2.576 -4.980 610 2HD2 ASN 58 2HD2 ASN 58 4.767 -2.657 -6.699 611 QB ASN 58 QB ASN 58 6.233 -4.398 -3.797 612 QD ASN 58 QD2 ASN 58 4.668 -2.617 -5.840 613 H VAL 59 H VAL 59 8.163 -1.746 -1.454 614 HA VAL 59 HA VAL 59 5.806 -0.324 -1.095 615 HB VAL 59 HB VAL 59 7.967 -0.851 0.382 616 1HG1 VAL 59 2HG1 VAL 59 8.372 1.994 -0.587 617 2HG1 VAL 59 3HG1 VAL 59 9.126 1.325 0.880 618 3HG1 VAL 59 1HG1 VAL 59 9.506 0.628 -0.713 619 1HG2 VAL 59 3HG2 VAL 59 5.733 1.091 0.619 620 2HG2 VAL 59 1HG2 VAL 59 6.198 -0.264 1.675 621 3HG2 VAL 59 2HG2 VAL 59 7.068 1.286 1.780 622 MG1 VAL 59 QG1 VAL 59 9.001 1.316 -0.140 623 MG2 VAL 59 QG2 VAL 59 6.333 0.704 1.358 624 QG VAL 59 QQG VAL 59 7.667 1.010 0.609 625 H GLN 60 H GLN 60 8.976 0.713 -2.529 626 HA GLN 60 HA GLN 60 8.164 3.282 -3.099 627 1HB GLN 60 1HB GLN 60 10.518 2.043 -3.228 628 2HB GLN 60 2HB GLN 60 10.089 1.824 -4.913 629 1HG GLN 60 1HG GLN 60 10.407 4.036 -5.409 630 2HG GLN 60 2HG GLN 60 9.576 4.577 -3.964 631 1HE2 GLN 60 1HE2 GLN 60 11.257 6.175 -3.874 632 2HE2 GLN 60 2HE2 GLN 60 12.782 5.816 -3.136 633 QB GLN 60 QB GLN 60 10.303 1.934 -4.070 634 QG GLN 60 QG GLN 60 9.992 4.307 -4.687 635 QE GLN 60 QE2 GLN 60 12.020 5.995 -3.505 636 H ALA 61 H ALA 61 8.199 0.329 -5.217 637 HA ALA 61 HA ALA 61 7.298 1.361 -7.537 638 1HB ALA 61 3HB ALA 61 7.312 -0.835 -7.997 639 2HB ALA 61 1HB ALA 61 7.441 -1.193 -6.258 640 3HB ALA 61 2HB ALA 61 5.839 -1.062 -7.023 641 MB ALA 61 QB ALA 61 6.864 -1.030 -7.093 642 H VAL 62 H VAL 62 5.319 0.516 -4.629 643 HA VAL 62 HA VAL 62 2.880 1.265 -5.867 644 HB VAL 62 HB VAL 62 3.688 0.835 -2.985 645 1HG1 VAL 62 3HG1 VAL 62 1.041 1.510 -4.240 646 2HG1 VAL 62 1HG1 VAL 62 1.096 0.446 -2.814 647 3HG1 VAL 62 2HG1 VAL 62 1.763 2.092 -2.721 648 1HG2 VAL 62 2HG2 VAL 62 2.880 -0.942 -5.205 649 2HG2 VAL 62 3HG2 VAL 62 3.810 -1.294 -3.729 650 3HG2 VAL 62 1HG2 VAL 62 2.033 -1.228 -3.666 651 MG1 VAL 62 QG1 VAL 62 1.300 1.349 -3.258 652 MG2 VAL 62 QG2 VAL 62 2.908 -1.154 -4.200 653 QG VAL 62 QQG VAL 62 2.104 0.097 -3.729 654 H LYS 63 H LYS 63 5.166 2.852 -3.548 655 HA LYS 63 HA LYS 63 3.696 5.154 -3.144 656 1HB LYS 63 1HB LYS 63 5.433 5.011 -1.681 657 2HB LYS 63 2HB LYS 63 6.531 4.319 -2.857 658 1HG LYS 63 1HG LYS 63 6.967 6.466 -3.874 659 2HG LYS 63 2HG LYS 63 5.612 7.215 -3.051 660 1HD LYS 63 1HD LYS 63 7.695 5.957 -1.296 661 2HD LYS 63 2HD LYS 63 8.183 7.400 -2.162 662 1HE LYS 63 1HE LYS 63 5.589 7.981 -1.143 663 2HE LYS 63 2HE LYS 63 6.424 7.157 0.160 664 1HZ LYS 63 3HZ LYS 63 7.518 9.445 -1.325 665 2HZ LYS 63 1HZ LYS 63 6.813 9.538 0.145 666 3HZ LYS 63 2HZ LYS 63 8.210 8.714 -0.040 667 QB LYS 63 QB LYS 63 5.982 4.665 -2.269 668 QD LYS 63 QD LYS 63 7.939 6.678 -1.729 669 QG LYS 63 QG LYS 63 6.290 6.841 -3.463 670 QE LYS 63 QE LYS 63 6.006 7.569 -0.492 671 QZ LYS 63 QZ LYS 63 7.514 9.233 -0.406 672 H VAL 64 H VAL 64 5.686 4.102 -5.899 673 HA VAL 64 HA VAL 64 5.776 6.695 -7.085 674 HB VAL 64 HB VAL 64 6.497 3.896 -7.878 675 1HG1 VAL 64 3HG1 VAL 64 5.854 6.131 -9.710 676 2HG1 VAL 64 1HG1 VAL 64 7.417 5.331 -10.004 677 3HG1 VAL 64 2HG1 VAL 64 5.913 4.378 -10.009 678 1HG2 VAL 64 1HG2 VAL 64 7.846 6.139 -6.753 679 2HG2 VAL 64 2HG2 VAL 64 8.513 4.547 -7.188 680 3HG2 VAL 64 3HG2 VAL 64 8.514 5.869 -8.381 681 MG1 VAL 64 QG1 VAL 64 6.395 5.280 -9.908 682 MG2 VAL 64 QG2 VAL 64 8.291 5.519 -7.441 683 QG VAL 64 QQG VAL 64 7.343 5.399 -8.674 684 H PHE 65 H PHE 65 3.750 3.731 -7.400 685 HA PHE 65 HA PHE 65 2.314 4.479 -9.628 686 1HB PHE 65 1HB PHE 65 2.378 2.293 -8.188 687 2HB PHE 65 2HB PHE 65 1.267 3.092 -7.093 688 HD1 PHE 65 HD1 PHE 65 1.591 2.301 -10.730 689 HD2 PHE 65 HD2 PHE 65 -0.994 2.745 -7.393 690 HE1 PHE 65 HE1 PHE 65 -0.346 1.526 -12.125 691 HE2 PHE 65 HE2 PHE 65 -2.930 1.970 -8.788 692 HZ PHE 65 HZ PHE 65 -2.583 1.369 -11.139 693 QB PHE 65 QB PHE 65 1.823 2.692 -7.640 694 QD PHE 65 QD PHE 65 0.299 2.523 -9.061 695 QE PHE 65 QE PHE 65 -1.638 1.748 -10.456 696 QR PHE 65 QR PHE 65 -1.052 1.982 -10.035 697 H LEU 66 H LEU 66 1.729 5.228 -6.135 698 HA LEU 66 HA LEU 66 -0.725 6.484 -6.497 699 1HB LEU 66 1HB LEU 66 1.423 6.884 -4.412 700 2HB LEU 66 2HB LEU 66 -0.189 7.565 -4.314 701 HG LEU 66 HG LEU 66 0.427 4.600 -4.438 702 1HD1 LEU 66 3HD1 LEU 66 1.051 6.118 -2.332 703 2HD1 LEU 66 1HD1 LEU 66 -0.675 5.862 -1.978 704 3HD1 LEU 66 2HD1 LEU 66 0.411 4.465 -2.172 705 1HD2 LEU 66 1HD2 LEU 66 -1.765 5.173 -5.371 706 2HD2 LEU 66 2HD2 LEU 66 -1.916 4.282 -3.838 707 3HD2 LEU 66 3HD2 LEU 66 -2.179 6.043 -3.875 708 MD1 LEU 66 QD1 LEU 66 0.262 5.482 -2.161 709 MD2 LEU 66 QD2 LEU 66 -1.953 5.166 -4.361 710 QB LEU 66 QB LEU 66 0.617 7.224 -4.363 711 QD LEU 66 QQD LEU 66 -0.845 5.324 -3.261 712 H GLU 67 H GLU 67 2.544 8.026 -6.073 713 HA GLU 67 HA GLU 67 1.736 10.561 -6.621 714 1HB GLU 67 1HB GLU 67 4.324 9.065 -6.787 715 2HB GLU 67 2HB GLU 67 4.270 10.608 -7.618 716 1HG GLU 67 1HG GLU 67 3.015 10.844 -4.989 717 2HG GLU 67 2HG GLU 67 4.623 10.163 -4.828 718 QB GLU 67 QB GLU 67 4.297 9.837 -7.202 719 QG GLU 67 QG GLU 67 3.819 10.503 -4.909 720 H SER 68 H SER 68 2.420 7.863 -8.851 721 HA SER 68 HA SER 68 2.557 9.467 -11.148 722 1HB SER 68 1HB SER 68 2.811 7.463 -12.310 723 2HB SER 68 2HB SER 68 3.323 6.978 -10.705 724 HG SER 68 HG SER 68 1.035 6.274 -10.354 725 QB SER 68 QB SER 68 3.067 7.220 -11.508 726 H GLN 69 H GLN 69 -0.052 7.618 -9.474 727 HA GLN 69 HA GLN 69 -1.941 8.292 -11.498 728 1HB GLN 69 1HB GLN 69 -3.360 6.808 -10.428 729 2HB GLN 69 2HB GLN 69 -1.820 6.200 -9.852 730 1HG GLN 69 1HG GLN 69 -2.150 7.895 -7.864 731 2HG GLN 69 2HG GLN 69 -3.825 7.940 -8.376 732 1HE2 GLN 69 1HE2 GLN 69 -1.330 5.402 -8.157 733 2HE2 GLN 69 2HE2 GLN 69 -2.245 4.276 -7.213 734 QB GLN 69 QB GLN 69 -2.590 6.504 -10.140 735 QG GLN 69 QG GLN 69 -2.987 7.918 -8.120 736 QE GLN 69 QE2 GLN 69 -1.788 4.839 -7.685 737 H GLY 70 H GLY 70 -0.408 10.279 -9.508 738 1HA GLY 70 2HA GLY 70 -2.183 12.366 -9.575 739 2HA GLY 70 1HA GLY 70 -0.860 12.205 -8.436 740 QA GLY 70 QA GLY 70 -1.522 12.285 -9.006 741 H ILE 71 H ILE 71 -1.522 10.143 -6.766 742 HA ILE 71 HA ILE 71 -4.178 10.897 -5.760 743 HB ILE 71 HB ILE 71 -3.919 8.558 -6.547 744 1HG1 ILE 71 1HG1 ILE 71 -4.342 8.514 -3.570 745 2HG1 ILE 71 2HG1 ILE 71 -5.421 9.445 -4.591 746 1HG2 ILE 71 3HG2 ILE 71 -1.467 8.478 -5.695 747 2HG2 ILE 71 1HG2 ILE 71 -2.201 8.013 -4.141 748 3HG2 ILE 71 2HG2 ILE 71 -2.478 7.017 -5.589 749 1HD1 ILE 71 1HD1 ILE 71 -5.545 7.241 -6.044 750 2HD1 ILE 71 2HD1 ILE 71 -4.948 6.458 -4.561 751 3HD1 ILE 71 3HD1 ILE 71 -6.487 7.352 -4.537 752 MG ILE 71 QG2 ILE 71 -2.049 7.836 -5.142 753 MD ILE 71 QD1 ILE 71 -5.660 7.017 -5.047 754 QG ILE 71 QG1 ILE 71 -4.882 8.980 -4.080 755 H ALA 72 H ALA 72 -4.251 10.431 -3.225 756 HA ALA 72 HA ALA 72 -1.771 11.524 -2.088 757 1HB ALA 72 3HB ALA 72 -4.025 12.994 -2.408 758 2HB ALA 72 1HB ALA 72 -4.385 12.235 -0.839 759 3HB ALA 72 2HB ALA 72 -2.909 13.210 -1.038 760 MB ALA 72 QB ALA 72 -3.773 12.813 -1.428 761 H TYR 73 H TYR 73 -0.897 10.140 -0.639 762 HA TYR 73 HA TYR 73 -2.758 8.481 0.912 763 1HB TYR 73 1HB TYR 73 -0.793 6.748 0.637 764 2HB TYR 73 2HB TYR 73 -1.809 7.007 -0.768 765 HD1 TYR 73 HD1 TYR 73 1.530 6.992 0.464 766 HD2 TYR 73 HD2 TYR 73 -0.982 8.783 -2.500 767 HE1 TYR 73 HE1 TYR 73 3.579 7.606 -0.912 768 HE2 TYR 73 HE2 TYR 73 1.075 9.391 -3.866 769 HH TYR 73 HH TYR 73 3.828 8.046 -3.670 770 QB TYR 73 QB TYR 73 -1.301 6.878 -0.066 771 QD TYR 73 QD TYR 73 0.274 7.887 -1.018 772 QE TYR 73 QE TYR 73 2.327 8.498 -2.389 773 QR TYR 73 QR TYR 73 1.300 8.193 -1.703 774 H SER 74 H SER 74 -0.888 7.146 2.493 775 HA SER 74 HA SER 74 1.040 8.952 3.477 776 1HB SER 74 1HB SER 74 -1.648 8.812 4.792 777 2HB SER 74 2HB SER 74 -0.262 8.779 5.863 778 HG SER 74 HG SER 74 -0.049 10.722 3.859 779 QB SER 74 QB SER 74 -0.955 8.796 5.327 780 H ILE 75 H ILE 75 1.899 7.987 5.742 781 HA ILE 75 HA ILE 75 2.005 5.097 5.319 782 HB ILE 75 HB ILE 75 3.840 7.046 6.703 783 1HG1 ILE 75 1HG1 ILE 75 4.680 5.188 4.519 784 2HG1 ILE 75 2HG1 ILE 75 3.690 6.566 4.079 785 1HG2 ILE 75 2HG2 ILE 75 3.429 4.319 7.370 786 2HG2 ILE 75 1HG2 ILE 75 4.692 5.429 7.954 787 3HG2 ILE 75 3HG2 ILE 75 4.983 4.431 6.509 788 1HD1 ILE 75 1HD1 ILE 75 6.200 6.822 5.792 789 2HD1 ILE 75 2HD1 ILE 75 6.206 6.978 4.018 790 3HD1 ILE 75 3HD1 ILE 75 5.283 8.133 5.010 791 MG ILE 75 QG2 ILE 75 4.368 4.727 7.278 792 MD ILE 75 QD1 ILE 75 5.896 7.311 4.940 793 QG ILE 75 QG1 ILE 75 4.185 5.877 4.299 794 H MET 76 H MET 76 1.042 3.706 6.710 795 HA MET 76 HA MET 76 -0.160 4.917 9.056 796 1HB MET 76 1HB MET 76 -1.326 3.389 7.185 797 2HB MET 76 2HB MET 76 -0.637 2.066 8.104 798 1HG MET 76 1HG MET 76 -2.863 2.421 8.977 799 2HG MET 76 2HG MET 76 -1.753 3.027 10.190 800 1HE MET 76 2HE MET 76 -2.907 4.537 11.442 801 2HE MET 76 3HE MET 76 -3.861 5.949 10.927 802 3HE MET 76 1HE MET 76 -4.524 4.308 10.737 803 QB MET 76 QB MET 76 -0.982 2.728 7.645 804 QG MET 76 QG MET 76 -2.308 2.724 9.583 805 ME MET 76 QE MET 76 -3.764 4.931 11.035 806 H ILE 77 H ILE 77 1.713 1.965 8.065 807 HA ILE 77 HA ILE 77 3.009 2.037 10.667 808 HB ILE 77 HB ILE 77 1.036 0.589 10.928 809 1HG1 ILE 77 1HG1 ILE 77 2.185 -1.238 11.991 810 2HG1 ILE 77 2HG1 ILE 77 3.606 -1.012 10.992 811 1HG2 ILE 77 3HG2 ILE 77 1.834 -0.384 8.359 812 2HG2 ILE 77 1HG2 ILE 77 1.861 -1.733 9.520 813 3HG2 ILE 77 2HG2 ILE 77 0.378 -0.770 9.307 814 1HD1 ILE 77 2HD1 ILE 77 2.690 1.386 12.539 815 2HD1 ILE 77 3HD1 ILE 77 3.384 0.043 13.478 816 3HD1 ILE 77 1HD1 ILE 77 4.342 0.818 12.194 817 MG ILE 77 QG2 ILE 77 1.358 -0.962 9.062 818 MD ILE 77 QD1 ILE 77 3.472 0.749 12.737 819 QG ILE 77 QG1 ILE 77 2.895 -1.125 11.491 820 H GLU 78 H GLU 78 5.162 1.483 10.552 821 HA GLU 78 HA GLU 78 6.008 0.426 7.967 822 1HB GLU 78 1HB GLU 78 6.511 2.956 8.624 823 2HB GLU 78 2HB GLU 78 7.795 2.247 9.583 824 1HG GLU 78 1HG GLU 78 9.070 1.906 7.737 825 2HG GLU 78 2HG GLU 78 7.786 1.005 6.956 826 QB GLU 78 QB GLU 78 7.153 2.601 9.103 827 QG GLU 78 QG GLU 78 8.428 1.455 7.346 828 H ASP 79 H ASP 79 8.872 0.633 9.213 829 HA ASP 79 HA ASP 79 8.766 -1.998 10.310 830 1HB ASP 79 1HB ASP 79 10.882 -0.062 9.415 831 2HB ASP 79 2HB ASP 79 11.373 -1.252 10.605 832 QB ASP 79 QB ASP 79 11.128 -0.657 10.010 833 H VAL 80 H VAL 80 7.356 -0.871 12.177 834 HA VAL 80 HA VAL 80 8.811 0.690 14.064 835 HB VAL 80 HB VAL 80 6.308 0.677 13.552 836 1HG1 VAL 80 1HG1 VAL 80 6.196 -1.877 13.857 837 2HG1 VAL 80 2HG1 VAL 80 6.193 -1.539 15.604 838 3HG1 VAL 80 3HG1 VAL 80 4.892 -0.899 14.572 839 1HG2 VAL 80 3HG2 VAL 80 7.603 0.790 16.249 840 2HG2 VAL 80 1HG2 VAL 80 6.838 2.080 15.291 841 3HG2 VAL 80 2HG2 VAL 80 5.829 0.895 16.153 842 MG1 VAL 80 QG1 VAL 80 5.760 -1.438 14.678 843 MG2 VAL 80 QG2 VAL 80 6.757 1.255 15.898 844 QG VAL 80 QQG VAL 80 6.258 -0.092 15.288 845 H GLN 81 H GLN 81 10.521 -0.199 15.123 846 HA GLN 81 HA GLN 81 10.779 -2.932 15.521 847 1HB GLN 81 1HB GLN 81 12.184 -0.459 16.472 848 2HB GLN 81 2HB GLN 81 12.484 -1.930 17.378 849 1HG GLN 81 1HG GLN 81 12.589 -2.176 14.390 850 2HG GLN 81 2HG GLN 81 13.875 -1.245 15.132 851 1HE2 GLN 81 1HE2 GLN 81 15.593 -2.317 15.706 852 2HE2 GLN 81 2HE2 GLN 81 15.697 -3.991 16.140 853 QB GLN 81 QB GLN 81 12.334 -1.195 16.925 854 QG GLN 81 QG GLN 81 13.232 -1.710 14.761 855 QE GLN 81 QE2 GLN 81 15.645 -3.154 15.923 No H/Q in entry = 855
Contact the webmaster for help, if required. Friday, July 5, 2024 2:43:49 AM GMT (wattos1)