NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22143 | 2jmc | 15013 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 10.633 16.985 -4.955 2 1HA GLY 1 2HA GLY 1 11.714 16.205 -2.317 3 2HA GLY 1 1HA GLY 1 10.557 17.509 -2.544 4 H ALA 2 H ALA 2 9.519 16.120 -0.798 5 HA ALA 2 HA ALA 2 7.705 14.212 -2.114 6 1HB ALA 2 1HB ALA 2 8.437 12.549 -0.845 7 2HB ALA 2 2HB ALA 2 9.591 13.630 -0.062 8 3HB ALA 2 3HB ALA 2 7.965 13.450 0.597 9 H MET 3 H MET 3 5.637 14.745 -1.891 10 HA MET 3 HA MET 3 4.822 16.983 -0.352 11 2HB MET 3 2HB MET 3 2.570 15.368 -1.024 12 2HG MET 3 2HG MET 3 3.041 17.948 -1.161 13 1HE MET 3 1HE MET 3 2.678 19.474 -4.731 14 2HE MET 3 2HE MET 3 2.103 19.470 -3.064 15 3HE MET 3 3HE MET 3 3.654 20.212 -3.460 16 H GLY 4 H GLY 4 3.322 17.040 1.407 17 1HA GLY 4 2HA GLY 4 2.582 16.414 3.488 18 2HA GLY 4 1HA GLY 4 2.393 14.803 2.810 19 HA PRO 5 HA PRO 5 6.144 15.285 5.801 20 2HB PRO 5 2HB PRO 5 5.203 16.454 7.541 21 2HG PRO 5 2HG PRO 5 2.901 16.469 7.870 22 2HD PRO 5 2HD PRO 5 2.985 17.006 5.631 23 H ARG 6 H ARG 6 3.345 13.179 5.685 24 HA ARG 6 HA ARG 6 5.041 10.899 6.452 25 2HB ARG 6 2HB ARG 6 3.137 11.112 7.909 26 2HG ARG 6 2HG ARG 6 1.351 10.917 5.495 27 2HD ARG 6 2HD ARG 6 0.425 9.909 7.513 28 HE ARG 6 HE ARG 6 0.400 12.380 9.021 29 1HH1 ARG 6 2HH1 ARG 6 1.925 9.295 8.495 30 2HH1 ARG 6 1HH1 ARG 6 2.646 9.237 10.069 31 1HH2 ARG 6 2HH2 ARG 6 1.343 12.315 11.097 32 2HH2 ARG 6 1HH2 ARG 6 2.314 10.955 11.549 33 H GLU 7 H GLU 7 5.841 9.900 4.723 34 HA GLU 7 HA GLU 7 4.096 9.557 2.374 35 2HB GLU 7 2HB GLU 7 5.867 10.824 1.569 36 2HG GLU 7 2HG GLU 7 8.297 9.783 2.154 37 H VAL 8 H VAL 8 3.510 7.550 1.891 38 HA VAL 8 HA VAL 8 4.886 5.329 3.227 39 HB VAL 8 HB VAL 8 2.542 5.345 3.695 40 1HG1 VAL 8 1HG1 VAL 8 0.851 5.220 1.890 41 2HG1 VAL 8 2HG1 VAL 8 1.752 6.738 1.890 42 3HG1 VAL 8 3HG1 VAL 8 2.135 5.483 0.711 43 1HG2 VAL 8 1HG2 VAL 8 2.360 3.251 1.671 44 2HG2 VAL 8 2HG2 VAL 8 3.854 3.195 2.608 45 3HG2 VAL 8 3HG2 VAL 8 2.295 3.136 3.430 46 H THR 9 H THR 9 6.208 4.078 2.097 47 HA THR 9 HA THR 9 5.788 3.836 -0.809 48 HB THR 9 HB THR 9 8.222 3.716 -1.125 49 HG1 THR 9 HG1 THR 9 8.262 4.239 1.675 50 1HG2 THR 9 1HG2 THR 9 8.188 5.915 -1.478 51 2HG2 THR 9 2HG2 THR 9 8.282 6.232 0.255 52 3HG2 THR 9 3HG2 THR 9 6.712 6.013 -0.519 53 H MET 10 H MET 10 5.365 1.814 -1.378 54 HA MET 10 HA MET 10 5.901 -0.374 0.429 55 2HB MET 10 2HB MET 10 4.653 -1.734 -1.137 56 2HG MET 10 2HG MET 10 3.497 0.973 -0.619 57 1HE MET 10 1HE MET 10 1.831 -2.083 -3.536 58 2HE MET 10 2HE MET 10 3.407 -1.294 -3.603 59 3HE MET 10 3HE MET 10 3.043 -2.429 -2.302 60 H LYS 11 H LYS 11 7.529 -1.792 0.321 61 HA LYS 11 HA LYS 11 9.381 -1.573 -1.955 62 2HB LYS 11 2HB LYS 11 9.854 -2.496 0.885 63 2HG LYS 11 2HG LYS 11 11.246 -3.574 -1.063 64 2HD LYS 11 2HD LYS 11 13.147 -1.386 -0.601 65 2HE LYS 11 2HE LYS 11 12.280 -3.061 -2.948 66 1HZ LYS 11 1HZ LYS 11 14.609 -1.893 -3.654 67 2HZ LYS 11 2HZ LYS 11 13.791 -0.611 -2.915 68 3HZ LYS 11 3HZ LYS 11 13.082 -1.427 -4.216 69 H LYS 12 H LYS 12 9.716 -3.273 -3.244 70 HA LYS 12 HA LYS 12 8.081 -5.471 -3.359 71 2HB LYS 12 2HB LYS 12 10.957 -5.658 -4.217 72 2HG LYS 12 2HG LYS 12 8.418 -6.903 -5.018 73 2HD LYS 12 2HD LYS 12 10.354 -5.751 -6.992 74 2HE LYS 12 2HE LYS 12 8.533 -8.064 -7.608 75 1HZ LYS 12 1HZ LYS 12 9.241 -7.825 -9.689 76 2HZ LYS 12 2HZ LYS 12 10.853 -7.609 -9.229 77 3HZ LYS 12 3HZ LYS 12 9.792 -6.293 -9.233 78 H GLY 13 H GLY 13 7.721 -6.956 -1.846 79 1HA GLY 13 2HA GLY 13 8.341 -8.922 -0.689 80 2HA GLY 13 1HA GLY 13 10.014 -8.384 -0.719 81 H ASP 14 H ASP 14 7.654 -6.068 0.211 82 HA ASP 14 HA ASP 14 8.488 -6.381 3.020 83 2HB ASP 14 2HB ASP 14 7.385 -3.779 2.152 84 H ILE 15 H ILE 15 6.962 -6.323 4.627 85 HA ILE 15 HA ILE 15 4.206 -6.729 3.755 86 HB ILE 15 HB ILE 15 5.316 -7.038 6.543 87 2HG1 ILE 15 2HG1 ILE 15 6.017 -8.546 4.306 88 1HG2 ILE 15 1HG2 ILE 15 3.306 -7.851 7.155 89 2HG2 ILE 15 2HG2 ILE 15 2.735 -6.909 5.779 90 3HG2 ILE 15 3HG2 ILE 15 3.032 -8.638 5.602 91 1HD1 ILE 15 1HD1 ILE 15 6.027 -9.796 7.012 92 2HD1 ILE 15 2HD1 ILE 15 7.241 -9.866 5.733 93 3HD1 ILE 15 3HD1 ILE 15 7.043 -8.393 6.681 94 H LEU 16 H LEU 16 2.645 -5.268 4.015 95 HA LEU 16 HA LEU 16 3.092 -3.047 5.894 96 2HB LEU 16 2HB LEU 16 2.489 -1.448 4.368 97 HG LEU 16 HG LEU 16 4.375 -3.214 3.320 98 1HD1 LEU 16 1HD1 LEU 16 3.272 -4.147 1.582 99 2HD1 LEU 16 2HD1 LEU 16 3.703 -2.625 0.801 100 3HD1 LEU 16 3HD1 LEU 16 2.091 -2.841 1.483 101 1HD2 LEU 16 1HD2 LEU 16 5.201 -1.133 3.321 102 2HD2 LEU 16 2HD2 LEU 16 3.613 -0.398 3.096 103 3HD2 LEU 16 3HD2 LEU 16 4.504 -1.018 1.704 104 H THR 17 H THR 17 1.508 -2.791 7.320 105 HA THR 17 HA THR 17 -0.590 -4.438 7.756 106 HB THR 17 HB THR 17 -0.626 -1.457 8.272 107 HG1 THR 17 HG1 THR 17 0.078 -3.511 10.099 108 1HG2 THR 17 1HG2 THR 17 -2.843 -2.512 8.485 109 2HG2 THR 17 2HG2 THR 17 -2.216 -1.970 10.042 110 3HG2 THR 17 3HG2 THR 17 -2.164 -3.681 9.618 111 H LEU 18 H LEU 18 -2.394 -4.967 6.723 112 HA LEU 18 HA LEU 18 -3.186 -3.708 4.314 113 2HB LEU 18 2HB LEU 18 -4.869 -5.554 5.990 114 HG LEU 18 HG LEU 18 -5.165 -6.464 3.471 115 1HD1 LEU 18 1HD1 LEU 18 -6.870 -4.235 4.541 116 2HD1 LEU 18 2HD1 LEU 18 -6.868 -5.851 5.247 117 3HD1 LEU 18 3HD1 LEU 18 -7.358 -5.623 3.568 118 1HD2 LEU 18 1HD2 LEU 18 -5.112 -3.466 3.177 119 2HD2 LEU 18 2HD2 LEU 18 -5.449 -4.666 1.929 120 3HD2 LEU 18 3HD2 LEU 18 -3.827 -4.533 2.610 121 H LEU 19 H LEU 19 -3.301 -1.500 5.308 122 HA LEU 19 HA LEU 19 -5.265 -0.713 7.118 123 2HB LEU 19 2HB LEU 19 -5.097 1.462 5.533 124 HG LEU 19 HG LEU 19 -4.334 1.636 7.788 125 1HD1 LEU 19 1HD1 LEU 19 -3.328 -0.425 8.253 126 2HD1 LEU 19 2HD1 LEU 19 -2.008 0.741 8.339 127 3HD1 LEU 19 3HD1 LEU 19 -2.193 -0.275 6.910 128 1HD2 LEU 19 1HD2 LEU 19 -1.992 2.226 5.984 129 2HD2 LEU 19 2HD2 LEU 19 -2.375 3.001 7.521 130 3HD2 LEU 19 3HD2 LEU 19 -3.427 3.241 6.125 131 H ASN 20 H ASN 20 -6.968 1.064 6.200 132 HA ASN 20 HA ASN 20 -9.174 -0.258 5.336 133 2HB ASN 20 2HB ASN 20 -9.251 2.324 4.105 134 1HD2 ASN 20 1HD2 ASN 20 -11.404 1.742 4.048 135 2HD2 ASN 20 2HD2 ASN 20 -12.404 1.744 5.457 136 H SER 21 H SER 21 -9.140 -1.672 3.684 137 HA SER 21 HA SER 21 -7.926 -0.907 1.142 138 2HB SER 21 2HB SER 21 -7.320 -3.102 1.748 139 HG SER 21 HG SER 21 -9.392 -4.547 2.071 140 H THR 22 H THR 22 -10.653 -0.059 2.412 141 HA THR 22 HA THR 22 -12.876 -0.875 1.189 142 HB THR 22 HB THR 22 -12.979 1.070 2.581 143 HG1 THR 22 HG1 THR 22 -14.357 0.840 0.484 144 1HG2 THR 22 1HG2 THR 22 -11.797 2.844 0.495 145 2HG2 THR 22 2HG2 THR 22 -10.715 1.926 1.543 146 3HG2 THR 22 3HG2 THR 22 -11.872 3.058 2.243 147 H ASN 23 H ASN 23 -10.640 1.424 -0.379 148 HA ASN 23 HA ASN 23 -11.923 1.535 -2.849 149 2HB ASN 23 2HB ASN 23 -9.261 1.839 -3.494 150 1HD2 ASN 23 1HD2 ASN 23 -9.991 3.266 -4.944 151 2HD2 ASN 23 2HD2 ASN 23 -10.718 4.784 -4.553 152 H LYS 24 H LYS 24 -11.672 0.434 -4.781 153 HA LYS 24 HA LYS 24 -10.731 -2.312 -4.506 154 2HB LYS 24 2HB LYS 24 -11.734 -2.050 -7.068 155 2HG LYS 24 2HG LYS 24 -13.547 -2.599 -4.747 156 2HD LYS 24 2HD LYS 24 -13.730 -2.890 -7.551 157 2HE LYS 24 2HE LYS 24 -14.145 -5.249 -7.823 158 1HZ LYS 24 1HZ LYS 24 -11.742 -6.012 -6.945 159 2HZ LYS 24 2HZ LYS 24 -11.534 -4.334 -6.969 160 3HZ LYS 24 3HZ LYS 24 -11.988 -5.149 -8.379 161 H ASP 25 H ASP 25 -10.088 0.596 -6.384 162 HA ASP 25 HA ASP 25 -7.972 -0.742 -7.876 163 2HB ASP 25 2HB ASP 25 -7.800 1.339 -9.136 164 H TRP 26 H TRP 26 -8.230 0.577 -4.902 165 HA TRP 26 HA TRP 26 -5.369 0.986 -4.710 166 2HB TRP 26 2HB TRP 26 -5.684 3.193 -3.525 167 HD1 TRP 26 HD1 TRP 26 -7.622 3.250 -6.872 168 HE1 TRP 26 HE1 TRP 26 -6.152 4.429 -8.624 169 HE3 TRP 26 HE3 TRP 26 -3.392 3.905 -4.076 170 HZ2 TRP 26 HZ2 TRP 26 -3.543 5.494 -8.800 171 HZ3 TRP 26 HZ3 TRP 26 -1.455 5.012 -5.111 172 HH2 TRP 26 HH2 TRP 26 -1.530 5.789 -7.424 173 H TRP 27 H TRP 27 -4.712 -0.038 -2.947 174 HA TRP 27 HA TRP 27 -6.630 -0.414 -0.746 175 2HB TRP 27 2HB TRP 27 -4.695 -2.225 -0.207 176 HD1 TRP 27 HD1 TRP 27 -7.950 -1.574 -1.959 177 HE1 TRP 27 HE1 TRP 27 -9.393 -3.705 -1.925 178 HE3 TRP 27 HE3 TRP 27 -4.439 -4.906 -0.312 179 HZ2 TRP 27 HZ2 TRP 27 -9.085 -6.436 -1.284 180 HZ3 TRP 27 HZ3 TRP 27 -5.095 -7.259 -0.014 181 HH2 TRP 27 HH2 TRP 27 -7.370 -8.006 -0.490 182 H LYS 28 H LYS 28 -6.299 0.881 0.927 183 HA LYS 28 HA LYS 28 -3.969 2.396 1.349 184 2HB LYS 28 2HB LYS 28 -5.840 1.723 3.592 185 2HG LYS 28 2HG LYS 28 -4.909 4.436 2.725 186 2HD LYS 28 2HD LYS 28 -5.576 3.403 5.472 187 2HE LYS 28 2HE LYS 28 -5.103 6.074 4.223 188 1HZ LYS 28 1HZ LYS 28 -7.151 5.469 6.159 189 2HZ LYS 28 2HZ LYS 28 -6.929 6.856 5.216 190 3HZ LYS 28 3HZ LYS 28 -6.073 6.671 6.663 191 H VAL 29 H VAL 29 -2.146 2.048 2.486 192 HA VAL 29 HA VAL 29 -1.983 -0.230 4.306 193 HB VAL 29 HB VAL 29 0.038 -1.110 3.306 194 1HG1 VAL 29 1HG1 VAL 29 -0.957 -2.301 1.608 195 2HG1 VAL 29 2HG1 VAL 29 -2.371 -1.669 2.453 196 3HG1 VAL 29 3HG1 VAL 29 -1.807 -0.893 0.973 197 1HG2 VAL 29 1HG2 VAL 29 0.754 -0.278 1.051 198 2HG2 VAL 29 2HG2 VAL 29 -0.325 1.097 1.288 199 3HG2 VAL 29 3HG2 VAL 29 1.038 0.847 2.379 200 H GLU 30 H GLU 30 -0.586 0.068 5.979 201 HA GLU 30 HA GLU 30 0.611 2.719 6.202 202 2HB GLU 30 2HB GLU 30 -0.029 0.542 8.172 203 2HG GLU 30 2HG GLU 30 1.627 2.996 8.700 204 H VAL 31 H VAL 31 2.780 2.945 7.136 205 HA VAL 31 HA VAL 31 4.568 0.679 6.637 206 HB VAL 31 HB VAL 31 4.779 3.389 5.350 207 1HG1 VAL 31 1HG1 VAL 31 6.941 1.636 6.294 208 2HG1 VAL 31 2HG1 VAL 31 7.085 2.172 4.620 209 3HG1 VAL 31 3HG1 VAL 31 6.956 3.358 5.918 210 1HG2 VAL 31 1HG2 VAL 31 5.278 1.946 3.353 211 2HG2 VAL 31 2HG2 VAL 31 4.863 0.549 4.347 212 3HG2 VAL 31 3HG2 VAL 31 3.649 1.782 4.007 213 H ASN 32 H ASN 32 4.782 0.553 8.907 214 HA ASN 32 HA ASN 32 5.856 0.919 10.879 215 2HB ASN 32 2HB ASN 32 7.863 2.364 10.877 216 1HD2 ASN 32 1HD2 ASN 32 6.556 0.463 8.221 217 2HD2 ASN 32 2HD2 ASN 32 7.933 -0.562 8.037 218 H ASP 33 H ASP 33 5.964 4.198 9.501 219 HA ASP 33 HA ASP 33 4.032 5.068 11.531 220 2HB ASP 33 2HB ASP 33 6.465 6.728 10.920 221 H ARG 34 H ARG 34 4.755 4.856 8.371 222 HA ARG 34 HA ARG 34 3.293 7.329 7.717 223 2HB ARG 34 2HB ARG 34 4.819 7.894 6.180 224 2HG ARG 34 2HG ARG 34 6.321 5.656 7.491 225 2HD ARG 34 2HD ARG 34 7.416 7.617 5.479 226 HE ARG 34 HE ARG 34 8.852 6.428 7.388 227 1HH1 ARG 34 2HH1 ARG 34 8.591 5.775 3.978 228 2HH1 ARG 34 1HH1 ARG 34 10.210 5.174 3.837 229 1HH2 ARG 34 2HH2 ARG 34 10.984 5.638 7.215 230 2HH2 ARG 34 1HH2 ARG 34 11.570 5.096 5.679 231 H GLN 35 H GLN 35 1.395 7.032 6.757 232 HA GLN 35 HA GLN 35 0.919 4.493 5.342 233 2HB GLN 35 2HB GLN 35 -0.888 4.050 6.585 234 2HG GLN 35 2HG GLN 35 -0.231 6.456 8.263 235 1HE2 GLN 35 1HE2 GLN 35 0.007 4.498 10.462 236 2HE2 GLN 35 2HE2 GLN 35 -1.615 4.104 10.903 237 H GLY 36 H GLY 36 -0.861 4.608 3.738 238 1HA GLY 36 2HA GLY 36 -1.959 6.997 2.792 239 2HA GLY 36 1HA GLY 36 -0.444 6.744 1.939 240 H PHE 37 H PHE 37 -2.634 6.840 0.426 241 HA PHE 37 HA PHE 37 -3.763 4.215 0.030 242 2HB PHE 37 2HB PHE 37 -4.756 5.399 -2.043 243 HD1 PHE 37 HD1 PHE 37 -5.041 7.894 0.576 244 HD2 PHE 37 HD2 PHE 37 -6.552 4.195 -0.889 245 HE1 PHE 37 HE1 PHE 37 -7.025 8.140 2.010 246 HE2 PHE 37 HE2 PHE 37 -8.539 4.436 0.540 247 HZ PHE 37 HZ PHE 37 -8.778 6.411 1.991 248 H VAL 38 H VAL 38 -3.086 2.690 -1.342 249 HA VAL 38 HA VAL 38 -1.174 3.418 -3.450 250 HB VAL 38 HB VAL 38 0.019 1.220 -2.936 251 1HG1 VAL 38 1HG1 VAL 38 1.444 2.877 -2.419 252 2HG1 VAL 38 2HG1 VAL 38 0.212 3.805 -1.561 253 3HG1 VAL 38 3HG1 VAL 38 1.038 2.473 -0.751 254 1HG2 VAL 38 1HG2 VAL 38 -1.636 0.267 -1.438 255 2HG2 VAL 38 2HG2 VAL 38 -0.099 0.467 -0.596 256 3HG2 VAL 38 3HG2 VAL 38 -1.416 1.604 -0.310 257 HA PRO 39 HA PRO 39 -3.566 0.830 -6.070 258 2HB PRO 39 2HB PRO 39 -2.243 1.560 -7.801 259 2HG PRO 39 2HG PRO 39 0.033 1.925 -7.500 260 2HD PRO 39 2HD PRO 39 -0.798 3.105 -5.703 261 H ALA 40 H ALA 40 -4.430 -1.043 -5.450 262 HA ALA 40 HA ALA 40 -3.204 -3.024 -3.945 263 1HB ALA 40 1HB ALA 40 -5.281 -4.084 -5.679 264 2HB ALA 40 2HB ALA 40 -5.241 -3.931 -3.921 265 3HB ALA 40 3HB ALA 40 -5.745 -2.565 -4.914 266 H ALA 41 H ALA 41 -2.891 -2.358 -7.280 267 HA ALA 41 HA ALA 41 -2.286 -4.954 -8.238 268 1HB ALA 41 1HB ALA 41 -0.890 -2.857 -9.658 269 2HB ALA 41 2HB ALA 41 -2.183 -3.923 -10.206 270 3HB ALA 41 3HB ALA 41 -2.574 -2.429 -9.354 271 H TYR 42 H TYR 42 -0.502 -2.661 -6.392 272 HA TYR 42 HA TYR 42 2.057 -3.923 -7.006 273 2HB TYR 42 2HB TYR 42 2.907 -2.143 -5.364 274 HD1 TYR 42 HD1 TYR 42 0.539 -1.726 -8.220 275 HD2 TYR 42 HD2 TYR 42 4.285 -0.669 -6.503 276 HE1 TYR 42 HE1 TYR 42 1.114 -0.476 -10.259 277 HE2 TYR 42 HE2 TYR 42 4.870 0.586 -8.537 278 HH TYR 42 HH TYR 42 4.307 0.876 -10.746 279 H VAL 43 H VAL 43 -0.480 -4.317 -4.859 280 HA VAL 43 HA VAL 43 1.261 -5.779 -2.985 281 HB VAL 43 HB VAL 43 -0.467 -5.278 -1.215 282 1HG1 VAL 43 1HG1 VAL 43 0.780 -3.542 -0.487 283 2HG1 VAL 43 2HG1 VAL 43 1.782 -3.960 -1.878 284 3HG1 VAL 43 3HG1 VAL 43 0.612 -2.646 -1.996 285 1HG2 VAL 43 1HG2 VAL 43 -1.891 -3.315 -1.553 286 2HG2 VAL 43 2HG2 VAL 43 -1.347 -3.209 -3.228 287 3HG2 VAL 43 3HG2 VAL 43 -2.286 -4.602 -2.693 288 H LYS 44 H LYS 44 -0.154 -7.346 -1.620 289 HA LYS 44 HA LYS 44 -2.510 -8.403 -2.815 290 2HB LYS 44 2HB LYS 44 -0.042 -10.122 -3.087 291 2HG LYS 44 2HG LYS 44 -2.772 -10.433 -4.318 292 2HD LYS 44 2HD LYS 44 -1.066 -11.375 -5.727 293 2HE LYS 44 2HE LYS 44 0.115 -12.136 -3.154 294 1HZ LYS 44 1HZ LYS 44 0.796 -13.973 -5.307 295 2HZ LYS 44 2HZ LYS 44 -0.663 -14.270 -4.505 296 3HZ LYS 44 3HZ LYS 44 0.786 -14.222 -3.633 297 H LYS 45 H LYS 45 -3.635 -9.398 -1.271 298 HA LYS 45 HA LYS 45 -2.787 -9.582 1.364 299 2HB LYS 45 2HB LYS 45 -4.759 -11.547 1.084 300 2HG LYS 45 2HG LYS 45 -5.523 -8.677 1.350 301 2HD LYS 45 2HD LYS 45 -6.566 -10.077 3.444 302 2HE LYS 45 2HE LYS 45 -7.575 -8.620 1.474 303 1HZ LYS 45 1HZ LYS 45 -8.120 -9.787 -0.310 304 2HZ LYS 45 2HZ LYS 45 -9.198 -10.695 0.625 305 3HZ LYS 45 3HZ LYS 45 -7.610 -11.234 0.403 306 H LEU 46 H LEU 46 -1.848 -11.129 2.604 307 HA LEU 46 HA LEU 46 -0.774 -13.463 1.183 308 2HB LEU 46 2HB LEU 46 0.880 -13.586 2.957 309 HG LEU 46 HG LEU 46 0.599 -10.913 1.649 310 1HD1 LEU 46 1HD1 LEU 46 1.690 -11.041 4.129 311 2HD1 LEU 46 2HD1 LEU 46 2.164 -9.887 2.884 312 3HD1 LEU 46 3HD1 LEU 46 3.097 -11.366 3.117 313 1HD2 LEU 46 1HD2 LEU 46 1.814 -13.390 1.037 314 2HD2 LEU 46 2HD2 LEU 46 3.109 -12.224 1.310 315 3HD2 LEU 46 3HD2 LEU 46 1.861 -11.890 0.109 316 H ASP 47 H ASP 47 -0.282 -15.303 2.939 317 HA ASP 47 HA ASP 47 -2.796 -15.780 4.399 318 2HB ASP 47 2HB ASP 47 -2.019 -18.297 3.859 319 H SER 48 H SER 48 -2.452 -15.865 6.509 320 HA SER 48 HA SER 48 0.129 -16.907 7.475 321 2HB SER 48 2HB SER 48 -1.712 -14.915 8.823 322 HG SER 48 HG SER 48 -0.353 -16.299 10.189 323 H GLY 49 H GLY 49 -3.173 -16.420 8.751 324 1HA GLY 49 2HA GLY 49 -4.335 -18.693 9.081 325 2HA GLY 49 1HA GLY 49 -2.935 -19.034 10.086 326 H THR 50 H THR 50 -2.594 -16.664 11.424 327 HA THR 50 HA THR 50 -4.325 -16.876 13.567 328 HB THR 50 HB THR 50 -3.497 -14.700 14.324 329 HG1 THR 50 HG1 THR 50 -1.841 -13.799 12.692 330 1HG2 THR 50 1HG2 THR 50 -1.254 -15.303 14.590 331 2HG2 THR 50 2HG2 THR 50 -1.173 -16.064 13.001 332 3HG2 THR 50 3HG2 THR 50 -2.065 -16.843 14.308 333 H GLY 51 H GLY 51 -4.491 -14.652 10.806 334 1HA GLY 51 2HA GLY 51 -6.756 -14.214 9.935 335 2HA GLY 51 1HA GLY 51 -7.269 -14.042 11.607 336 H LYS 52 H LYS 52 -4.199 -12.740 10.791 337 HA LYS 52 HA LYS 52 -5.053 -10.093 11.460 338 2HB LYS 52 2HB LYS 52 -2.688 -9.482 10.920 339 2HG LYS 52 2HG LYS 52 -2.097 -11.825 12.490 340 2HD LYS 52 2HD LYS 52 -1.434 -9.152 12.443 341 2HE LYS 52 2HE LYS 52 -3.694 -9.117 13.916 342 1HZ LYS 52 1HZ LYS 52 -3.197 -9.132 16.205 343 2HZ LYS 52 2HZ LYS 52 -1.535 -9.289 15.937 344 3HZ LYS 52 3HZ LYS 52 -2.572 -10.581 15.597 345 H GLU 53 H GLU 53 -4.155 -8.248 9.962 346 HA GLU 53 HA GLU 53 -5.100 -8.806 7.227 347 2HB GLU 53 2HB GLU 53 -6.180 -6.748 7.133 348 2HG GLU 53 2HG GLU 53 -7.228 -8.249 8.861 349 H LEU 54 H LEU 54 -3.019 -9.255 6.451 350 HA LEU 54 HA LEU 54 -1.256 -6.900 6.274 351 2HB LEU 54 2HB LEU 54 0.059 -8.276 7.531 352 HG LEU 54 HG LEU 54 -1.440 -10.240 7.646 353 1HD1 LEU 54 1HD1 LEU 54 -2.038 -10.880 5.535 354 2HD1 LEU 54 2HD1 LEU 54 -0.748 -12.038 5.854 355 3HD1 LEU 54 3HD1 LEU 54 -0.426 -10.608 4.874 356 1HD2 LEU 54 1HD2 LEU 54 1.499 -10.599 7.170 357 2HD2 LEU 54 2HD2 LEU 54 0.470 -11.956 7.625 358 3HD2 LEU 54 3HD2 LEU 54 0.618 -10.563 8.698 359 H VAL 55 H VAL 55 0.069 -6.796 4.329 360 HA VAL 55 HA VAL 55 -0.785 -8.425 2.073 361 HB VAL 55 HB VAL 55 -0.961 -6.123 0.772 362 1HG1 VAL 55 1HG1 VAL 55 -2.807 -7.399 0.477 363 2HG1 VAL 55 2HG1 VAL 55 -2.959 -7.771 2.196 364 3HG1 VAL 55 3HG1 VAL 55 -3.513 -6.215 1.577 365 1HG2 VAL 55 1HG2 VAL 55 -2.087 -5.357 3.456 366 2HG2 VAL 55 2HG2 VAL 55 -0.489 -4.855 2.902 367 3HG2 VAL 55 3HG2 VAL 55 -1.928 -4.351 2.016 368 H LEU 56 H LEU 56 1.023 -9.046 1.108 369 HA LEU 56 HA LEU 56 3.521 -7.747 1.531 370 2HB LEU 56 2HB LEU 56 2.803 -9.855 -0.501 371 HG LEU 56 HG LEU 56 5.150 -10.640 -0.186 372 1HD1 LEU 56 1HD1 LEU 56 5.651 -8.006 -1.271 373 2HD1 LEU 56 2HD1 LEU 56 4.134 -8.683 -1.864 374 3HD1 LEU 56 3HD1 LEU 56 5.640 -9.576 -2.074 375 1HD2 LEU 56 1HD2 LEU 56 6.036 -7.981 0.692 376 2HD2 LEU 56 2HD2 LEU 56 6.653 -9.580 1.107 377 3HD2 LEU 56 3HD2 LEU 56 5.225 -8.945 1.926 378 H ALA 57 H ALA 57 4.830 -6.650 0.049 379 HA ALA 57 HA ALA 57 3.336 -5.211 -2.006 380 1HB ALA 57 1HB ALA 57 4.497 -3.697 -0.691 381 2HB ALA 57 2HB ALA 57 5.925 -4.726 -0.588 382 3HB ALA 57 3HB ALA 57 5.554 -3.883 -2.091 383 H LEU 58 H LEU 58 3.231 -6.377 -3.847 384 HA LEU 58 HA LEU 58 5.274 -8.102 -4.777 385 2HB LEU 58 2HB LEU 58 3.957 -8.397 -6.712 386 HG LEU 58 HG LEU 58 2.115 -7.812 -4.403 387 1HD1 LEU 58 1HD1 LEU 58 0.324 -8.022 -5.693 388 2HD1 LEU 58 2HD1 LEU 58 0.959 -9.498 -6.419 389 3HD1 LEU 58 3HD1 LEU 58 1.379 -7.928 -7.104 390 1HD2 LEU 58 1HD2 LEU 58 2.986 -10.407 -5.671 391 2HD2 LEU 58 2HD2 LEU 58 1.993 -10.213 -4.225 392 3HD2 LEU 58 3HD2 LEU 58 3.685 -9.714 -4.207 393 H TYR 59 H TYR 59 4.423 -4.755 -5.491 394 HA TYR 59 HA TYR 59 6.947 -4.517 -6.994 395 2HB TYR 59 2HB TYR 59 5.965 -3.100 -8.574 396 HD1 TYR 59 HD1 TYR 59 5.972 -6.077 -8.415 397 HD2 TYR 59 HD2 TYR 59 2.761 -3.325 -8.886 398 HE1 TYR 59 HE1 TYR 59 4.662 -7.813 -9.565 399 HE2 TYR 59 HE2 TYR 59 1.442 -5.054 -10.036 400 HH TYR 59 HH TYR 59 2.332 -8.342 -10.050 401 H ASP 60 H ASP 60 7.605 -2.110 -7.145 402 HA ASP 60 HA ASP 60 7.627 -1.082 -4.415 403 2HB ASP 60 2HB ASP 60 9.804 -1.210 -5.300 404 H TYR 61 H TYR 61 6.747 0.818 -3.793 405 HA TYR 61 HA TYR 61 5.625 2.589 -5.844 406 2HB TYR 61 2HB TYR 61 4.099 1.635 -3.412 407 HD1 TYR 61 HD1 TYR 61 2.441 2.311 -6.531 408 HD2 TYR 61 HD2 TYR 61 3.686 4.066 -2.860 409 HE1 TYR 61 HE1 TYR 61 0.861 4.162 -6.887 410 HE2 TYR 61 HE2 TYR 61 2.110 5.921 -3.205 411 HH TYR 61 HH TYR 61 0.840 6.980 -4.828 412 H GLN 62 H GLN 62 4.923 4.707 -4.891 413 HA GLN 62 HA GLN 62 6.267 5.434 -2.413 414 2HB GLN 62 2HB GLN 62 7.030 6.432 -5.128 415 2HG GLN 62 2HG GLN 62 6.340 8.430 -3.799 416 1HE2 GLN 62 1HE2 GLN 62 5.815 8.091 -1.626 417 2HE2 GLN 62 2HE2 GLN 62 6.984 8.274 -0.369 418 H GLU 63 H GLU 63 4.892 6.591 -1.250 419 HA GLU 63 HA GLU 63 2.943 8.291 -2.664 420 2HB GLU 63 2HB GLU 63 2.287 7.371 0.070 421 2HG GLU 63 2HG GLU 63 0.113 7.450 -0.609 422 H SER 64 H SER 64 2.884 10.386 -2.132 423 HA SER 64 HA SER 64 4.512 11.256 0.163 424 2HB SER 64 2HB SER 64 4.339 13.518 -1.229 425 HG SER 64 HG SER 64 6.361 12.936 -1.151 426 H GLY 65 H GLY 65 3.013 11.327 1.784 427 1HA GLY 65 2HA GLY 65 1.466 12.459 3.086 428 2HA GLY 65 1HA GLY 65 1.173 13.544 1.733 429 H ASP 66 H ASP 66 -0.163 11.179 3.629 430 HA ASP 66 HA ASP 66 -1.626 9.455 2.196 431 2HB ASP 66 2HB ASP 66 -2.355 11.140 4.555 432 H ASN 67 H ASN 67 -2.396 9.810 0.201 433 HA ASN 67 HA ASN 67 -4.272 12.054 -0.153 434 2HB ASN 67 2HB ASN 67 -3.570 12.070 -2.559 435 1HD2 ASN 67 1HD2 ASN 67 -3.493 13.770 -0.430 436 2HD2 ASN 67 2HD2 ASN 67 -1.972 14.590 -0.391 437 H ALA 68 H ALA 68 -6.171 11.651 -1.235 438 HA ALA 68 HA ALA 68 -7.069 8.933 -1.265 439 1HB ALA 68 1HB ALA 68 -9.139 10.105 -2.346 440 2HB ALA 68 2HB ALA 68 -8.760 10.363 -0.643 441 3HB ALA 68 3HB ALA 68 -8.317 11.581 -1.840 442 HA PRO 69 HA PRO 69 -6.066 7.885 -5.425 443 2HB PRO 69 2HB PRO 69 -6.415 5.703 -4.796 444 2HG PRO 69 2HG PRO 69 -8.053 5.151 -3.241 445 2HD PRO 69 2HD PRO 69 -6.977 6.839 -2.101 446 H SER 70 H SER 70 -6.924 10.014 -6.145 447 HA SER 70 HA SER 70 -9.653 10.046 -7.129 448 2HB SER 70 2HB SER 70 -8.721 12.339 -8.080 449 HG SER 70 HG SER 70 -9.162 11.800 -5.328 450 H TYR 71 H TYR 71 -6.778 8.836 -8.229 451 HA TYR 71 HA TYR 71 -7.708 8.959 -11.015 452 2HB TYR 71 2HB TYR 71 -5.909 10.473 -11.065 453 HD1 TYR 71 HD1 TYR 71 -4.576 7.450 -9.309 454 HD2 TYR 71 HD2 TYR 71 -4.328 11.659 -9.876 455 HE1 TYR 71 HE1 TYR 71 -2.841 7.576 -7.571 456 HE2 TYR 71 HE2 TYR 71 -2.592 11.797 -8.140 457 HH TYR 71 HH TYR 71 -1.494 10.688 -6.543 458 H SER 72 H SER 72 -6.466 7.270 -12.368 459 HA SER 72 HA SER 72 -6.958 4.723 -11.196 460 2HB SER 72 2HB SER 72 -5.665 4.048 -13.442 461 HG SER 72 HG SER 72 -7.780 3.576 -13.360 462 HA PRO 73 HA PRO 73 -3.057 3.631 -9.513 463 2HB PRO 73 2HB PRO 73 -4.015 1.646 -8.864 464 2HG PRO 73 2HG PRO 73 -5.557 0.558 -10.224 465 2HD PRO 73 2HD PRO 73 -6.457 2.680 -10.224 466 HA PRO 74 HA PRO 74 -0.032 3.897 -12.719 467 2HB PRO 74 2HB PRO 74 1.359 4.786 -11.123 468 2HG PRO 74 2HG PRO 74 1.263 4.069 -8.913 469 2HD PRO 74 2HD PRO 74 -0.972 4.483 -9.292 470 HA PRO 75 HA PRO 75 0.502 -0.180 -14.316 471 2HB PRO 75 2HB PRO 75 0.875 0.824 -16.349 472 2HG PRO 75 2HG PRO 75 1.987 2.861 -16.495 473 2HD PRO 75 2HD PRO 75 0.425 3.376 -14.881 474 HA PRO 76 HA PRO 76 3.730 -1.763 -11.667 475 2HB PRO 76 2HB PRO 76 2.250 -3.435 -11.122 476 2HG PRO 76 2HG PRO 76 0.654 -4.167 -12.645 477 2HD PRO 76 2HD PRO 76 0.302 -1.892 -12.765 478 HA PRO 77 HA PRO 77 7.167 -2.704 -14.243 479 2HB PRO 77 2HB PRO 77 8.418 -2.995 -12.338 480 2HG PRO 77 2HG PRO 77 7.523 -4.040 -10.463 481 2HD PRO 77 2HD PRO 77 5.859 -2.504 -10.893 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -2.860 24.615 2.768 2 1HA GLY 1 2HA GLY 1 -2.919 23.449 4.917 3 2HA GLY 1 1HA GLY 1 -4.635 23.179 4.643 4 H ALA 2 H ALA 2 -1.553 21.870 4.378 5 HA ALA 2 HA ALA 2 -2.575 19.708 2.654 6 1HB ALA 2 1HB ALA 2 -0.649 19.599 1.451 7 2HB ALA 2 2HB ALA 2 -0.622 21.318 1.850 8 3HB ALA 2 3HB ALA 2 0.349 20.181 2.784 9 H MET 3 H MET 3 -2.476 17.699 3.461 10 HA MET 3 HA MET 3 -2.013 17.183 6.140 11 2HB MET 3 2HB MET 3 -1.503 14.760 4.857 12 2HG MET 3 2HG MET 3 -3.827 14.219 5.272 13 1HE MET 3 1HE MET 3 -4.373 13.651 8.810 14 2HE MET 3 2HE MET 3 -5.147 15.191 8.438 15 3HE MET 3 3HE MET 3 -5.135 13.897 7.238 16 H GLY 4 H GLY 4 -0.346 16.003 7.229 17 1HA GLY 4 2HA GLY 4 2.191 16.946 7.023 18 2HA GLY 4 1HA GLY 4 1.827 15.350 7.663 19 HA PRO 5 HA PRO 5 4.364 15.199 3.647 20 2HB PRO 5 2HB PRO 5 6.279 16.165 4.471 21 2HG PRO 5 2HG PRO 5 6.712 16.214 6.755 22 2HD PRO 5 2HD PRO 5 4.557 17.032 6.741 23 H ARG 6 H ARG 6 3.221 13.277 6.076 24 HA ARG 6 HA ARG 6 4.367 10.863 6.116 25 2HB ARG 6 2HB ARG 6 1.957 9.903 5.910 26 2HG ARG 6 2HG ARG 6 3.006 11.723 7.997 27 2HD ARG 6 2HD ARG 6 0.741 10.850 9.183 28 HE ARG 6 HE ARG 6 1.463 13.423 8.075 29 1HH1 ARG 6 2HH1 ARG 6 -0.808 11.603 9.986 30 2HH1 ARG 6 1HH1 ARG 6 -1.422 12.994 10.816 31 1HH2 ARG 6 2HH2 ARG 6 0.661 15.262 9.161 32 2HH2 ARG 6 1HH2 ARG 6 -0.587 15.074 10.345 33 H GLU 7 H GLU 7 5.491 10.011 4.460 34 HA GLU 7 HA GLU 7 4.082 9.628 1.901 35 2HB GLU 7 2HB GLU 7 6.334 9.458 0.877 36 2HG GLU 7 2HG GLU 7 6.717 11.992 2.247 37 H VAL 8 H VAL 8 3.229 7.641 1.928 38 HA VAL 8 HA VAL 8 4.619 5.435 3.204 39 HB VAL 8 HB VAL 8 2.036 5.896 3.151 40 1HG1 VAL 8 1HG1 VAL 8 1.865 5.950 0.706 41 2HG1 VAL 8 2HG1 VAL 8 2.410 4.273 0.635 42 3HG1 VAL 8 3HG1 VAL 8 0.871 4.670 1.400 43 1HG2 VAL 8 1HG2 VAL 8 2.916 3.067 2.662 44 2HG2 VAL 8 2HG2 VAL 8 3.351 3.937 4.133 45 3HG2 VAL 8 3HG2 VAL 8 1.654 3.658 3.742 46 H THR 9 H THR 9 5.887 4.025 2.194 47 HA THR 9 HA THR 9 5.699 3.808 -0.739 48 HB THR 9 HB THR 9 8.011 3.829 -1.021 49 HG1 THR 9 HG1 THR 9 9.366 3.804 1.023 50 1HG2 THR 9 1HG2 THR 9 7.798 5.703 1.320 51 2HG2 THR 9 2HG2 THR 9 6.990 6.035 -0.213 52 3HG2 THR 9 3HG2 THR 9 8.746 5.885 -0.154 53 H MET 10 H MET 10 6.088 1.777 -1.638 54 HA MET 10 HA MET 10 5.980 -0.442 0.288 55 2HB MET 10 2HB MET 10 4.998 -1.752 -1.583 56 2HG MET 10 2HG MET 10 3.502 -0.558 -0.027 57 1HE MET 10 1HE MET 10 3.864 2.903 0.707 58 2HE MET 10 2HE MET 10 2.319 2.080 0.925 59 3HE MET 10 3HE MET 10 3.829 1.194 1.143 60 H LYS 11 H LYS 11 7.415 -2.108 0.183 61 HA LYS 11 HA LYS 11 9.574 -1.859 -1.810 62 2HB LYS 11 2HB LYS 11 10.426 -3.375 0.456 63 2HG LYS 11 2HG LYS 11 11.221 -0.552 -0.203 64 2HD LYS 11 2HD LYS 11 13.470 -1.911 0.445 65 2HE LYS 11 2HE LYS 11 12.247 -1.045 2.888 66 1HZ LYS 11 1HZ LYS 11 14.608 -0.719 1.600 67 2HZ LYS 11 2HZ LYS 11 14.150 0.078 3.020 68 3HZ LYS 11 3HZ LYS 11 13.936 0.831 1.520 69 H LYS 12 H LYS 12 9.773 -3.499 -3.173 70 HA LYS 12 HA LYS 12 8.124 -5.675 -3.352 71 2HB LYS 12 2HB LYS 12 10.990 -5.953 -4.187 72 2HG LYS 12 2HG LYS 12 8.403 -6.995 -5.065 73 2HD LYS 12 2HD LYS 12 9.038 -5.326 -6.872 74 2HE LYS 12 2HE LYS 12 11.379 -7.182 -6.963 75 1HZ LYS 12 1HZ LYS 12 11.802 -6.631 -9.213 76 2HZ LYS 12 2HZ LYS 12 10.479 -5.582 -9.291 77 3HZ LYS 12 3HZ LYS 12 10.228 -7.249 -9.158 78 H GLY 13 H GLY 13 7.730 -7.191 -1.878 79 1HA GLY 13 2HA GLY 13 8.328 -9.202 -0.779 80 2HA GLY 13 1HA GLY 13 10.000 -8.659 -0.750 81 H ASP 14 H ASP 14 7.560 -6.414 0.194 82 HA ASP 14 HA ASP 14 8.394 -6.745 3.000 83 2HB ASP 14 2HB ASP 14 7.129 -4.215 2.055 84 H ILE 15 H ILE 15 6.793 -6.291 4.649 85 HA ILE 15 HA ILE 15 4.081 -7.018 3.757 86 HB ILE 15 HB ILE 15 5.419 -7.491 6.423 87 2HG1 ILE 15 2HG1 ILE 15 6.014 -8.963 4.424 88 1HG2 ILE 15 1HG2 ILE 15 3.228 -8.882 6.725 89 2HG2 ILE 15 2HG2 ILE 15 3.235 -7.151 7.059 90 3HG2 ILE 15 3HG2 ILE 15 2.583 -7.753 5.535 91 1HD1 ILE 15 1HD1 ILE 15 4.702 -10.296 6.781 92 2HD1 ILE 15 2HD1 ILE 15 5.765 -11.087 5.616 93 3HD1 ILE 15 3HD1 ILE 15 6.392 -9.807 6.655 94 H LEU 16 H LEU 16 2.878 -5.230 3.616 95 HA LEU 16 HA LEU 16 3.149 -3.170 5.693 96 2HB LEU 16 2HB LEU 16 2.502 -1.595 4.180 97 HG LEU 16 HG LEU 16 4.314 -3.349 3.037 98 1HD1 LEU 16 1HD1 LEU 16 3.113 -4.387 1.429 99 2HD1 LEU 16 2HD1 LEU 16 3.438 -2.894 0.552 100 3HD1 LEU 16 3HD1 LEU 16 1.889 -3.119 1.364 101 1HD2 LEU 16 1HD2 LEU 16 4.849 -1.091 3.147 102 2HD2 LEU 16 2HD2 LEU 16 3.345 -0.593 2.371 103 3HD2 LEU 16 3HD2 LEU 16 4.617 -1.363 1.421 104 H THR 17 H THR 17 1.604 -2.916 7.164 105 HA THR 17 HA THR 17 -0.447 -4.631 7.660 106 HB THR 17 HB THR 17 -0.440 -1.668 8.264 107 HG1 THR 17 HG1 THR 17 1.241 -2.442 9.372 108 1HG2 THR 17 1HG2 THR 17 -2.677 -2.786 8.455 109 2HG2 THR 17 2HG2 THR 17 -2.061 -2.121 9.968 110 3HG2 THR 17 3HG2 THR 17 -1.972 -3.856 9.666 111 H LEU 18 H LEU 18 -2.142 -5.224 6.489 112 HA LEU 18 HA LEU 18 -3.083 -3.876 4.223 113 2HB LEU 18 2HB LEU 18 -4.696 -5.791 5.890 114 HG LEU 18 HG LEU 18 -5.125 -6.676 3.432 115 1HD1 LEU 18 1HD1 LEU 18 -6.762 -5.881 5.173 116 2HD1 LEU 18 2HD1 LEU 18 -7.241 -5.619 3.496 117 3HD1 LEU 18 3HD1 LEU 18 -6.622 -4.276 4.455 118 1HD2 LEU 18 1HD2 LEU 18 -3.632 -4.810 2.542 119 2HD2 LEU 18 2HD2 LEU 18 -4.957 -3.717 2.940 120 3HD2 LEU 18 3HD2 LEU 18 -5.206 -5.017 1.774 121 H LEU 19 H LEU 19 -3.260 -1.691 5.153 122 HA LEU 19 HA LEU 19 -5.194 -1.004 7.077 123 2HB LEU 19 2HB LEU 19 -5.035 1.244 5.606 124 HG LEU 19 HG LEU 19 -4.256 1.325 7.852 125 1HD1 LEU 19 1HD1 LEU 19 -1.627 0.134 7.446 126 2HD1 LEU 19 2HD1 LEU 19 -2.952 -1.018 7.281 127 3HD1 LEU 19 3HD1 LEU 19 -2.781 -0.079 8.763 128 1HD2 LEU 19 1HD2 LEU 19 -1.937 1.968 6.033 129 2HD2 LEU 19 2HD2 LEU 19 -2.239 2.646 7.634 130 3HD2 LEU 19 3HD2 LEU 19 -3.338 3.006 6.301 131 H ASN 20 H ASN 20 -6.904 0.803 6.239 132 HA ASN 20 HA ASN 20 -9.101 -0.489 5.308 133 2HB ASN 20 2HB ASN 20 -9.204 2.142 4.200 134 1HD2 ASN 20 1HD2 ASN 20 -11.352 1.517 4.142 135 2HD2 ASN 20 2HD2 ASN 20 -12.337 1.464 5.561 136 H SER 21 H SER 21 -9.301 -1.708 3.551 137 HA SER 21 HA SER 21 -7.970 -0.902 1.071 138 2HB SER 21 2HB SER 21 -8.218 -3.365 2.297 139 HG SER 21 HG SER 21 -9.920 -3.333 0.026 140 H THR 22 H THR 22 -10.587 0.139 2.312 141 HA THR 22 HA THR 22 -12.890 -0.476 1.130 142 HB THR 22 HB THR 22 -12.918 1.477 2.434 143 HG1 THR 22 HG1 THR 22 -14.324 1.574 0.577 144 1HG2 THR 22 1HG2 THR 22 -11.539 3.332 2.214 145 2HG2 THR 22 2HG2 THR 22 -11.223 3.022 0.507 146 3HG2 THR 22 3HG2 THR 22 -10.468 2.014 1.742 147 H ASN 23 H ASN 23 -10.370 1.423 -0.525 148 HA ASN 23 HA ASN 23 -11.741 1.552 -3.001 149 2HB ASN 23 2HB ASN 23 -9.034 1.792 -3.598 150 1HD2 ASN 23 1HD2 ASN 23 -9.237 3.310 -5.058 151 2HD2 ASN 23 2HD2 ASN 23 -10.173 4.754 -4.912 152 H LYS 24 H LYS 24 -11.360 0.426 -4.935 153 HA LYS 24 HA LYS 24 -10.611 -2.352 -4.535 154 2HB LYS 24 2HB LYS 24 -11.257 -2.017 -7.221 155 2HG LYS 24 2HG LYS 24 -13.269 -2.578 -5.057 156 2HD LYS 24 2HD LYS 24 -12.992 -3.488 -7.922 157 2HE LYS 24 2HE LYS 24 -15.470 -4.089 -6.507 158 1HZ LYS 24 1HZ LYS 24 -14.944 -6.318 -7.508 159 2HZ LYS 24 2HZ LYS 24 -13.575 -5.608 -8.202 160 3HZ LYS 24 3HZ LYS 24 -15.117 -5.047 -8.611 161 H ASP 25 H ASP 25 -9.722 0.292 -6.750 162 HA ASP 25 HA ASP 25 -7.433 -1.184 -7.721 163 2HB ASP 25 2HB ASP 25 -7.019 1.098 -8.907 164 H TRP 26 H TRP 26 -8.051 0.599 -5.006 165 HA TRP 26 HA TRP 26 -5.189 1.088 -4.596 166 2HB TRP 26 2HB TRP 26 -5.796 3.235 -3.411 167 HD1 TRP 26 HD1 TRP 26 -7.624 3.331 -6.794 168 HE1 TRP 26 HE1 TRP 26 -6.149 4.604 -8.476 169 HE3 TRP 26 HE3 TRP 26 -3.437 3.919 -3.919 170 HZ2 TRP 26 HZ2 TRP 26 -3.554 5.710 -8.572 171 HZ3 TRP 26 HZ3 TRP 26 -1.502 5.096 -4.882 172 HH2 TRP 26 HH2 TRP 26 -1.561 5.972 -7.160 173 H TRP 27 H TRP 27 -4.608 -0.099 -2.911 174 HA TRP 27 HA TRP 27 -6.552 -0.528 -0.744 175 2HB TRP 27 2HB TRP 27 -4.605 -2.347 -0.239 176 HD1 TRP 27 HD1 TRP 27 -7.878 -1.656 -1.934 177 HE1 TRP 27 HE1 TRP 27 -9.318 -3.789 -1.942 178 HE3 TRP 27 HE3 TRP 27 -4.343 -5.029 -0.428 179 HZ2 TRP 27 HZ2 TRP 27 -8.999 -6.537 -1.383 180 HZ3 TRP 27 HZ3 TRP 27 -4.992 -7.390 -0.189 181 HH2 TRP 27 HH2 TRP 27 -7.272 -8.127 -0.657 182 H LYS 28 H LYS 28 -6.245 0.815 0.904 183 HA LYS 28 HA LYS 28 -3.933 2.291 1.419 184 2HB LYS 28 2HB LYS 28 -5.799 1.535 3.637 185 2HG LYS 28 2HG LYS 28 -4.920 4.284 2.831 186 2HD LYS 28 2HD LYS 28 -5.567 3.171 5.552 187 2HE LYS 28 2HE LYS 28 -5.293 5.924 4.377 188 1HZ LYS 28 1HZ LYS 28 -7.336 5.746 5.761 189 2HZ LYS 28 2HZ LYS 28 -6.184 6.828 6.365 190 3HZ LYS 28 3HZ LYS 28 -6.363 5.301 7.072 191 H VAL 29 H VAL 29 -2.099 1.907 2.513 192 HA VAL 29 HA VAL 29 -1.923 -0.395 4.300 193 HB VAL 29 HB VAL 29 0.075 -1.278 3.266 194 1HG1 VAL 29 1HG1 VAL 29 -2.296 -0.947 1.454 195 2HG1 VAL 29 2HG1 VAL 29 -0.916 -1.955 1.015 196 3HG1 VAL 29 3HG1 VAL 29 -1.860 -2.330 2.457 197 1HG2 VAL 29 1HG2 VAL 29 0.772 -0.413 1.012 198 2HG2 VAL 29 2HG2 VAL 29 -0.275 0.976 1.299 199 3HG2 VAL 29 3HG2 VAL 29 1.098 0.673 2.364 200 H GLU 30 H GLU 30 -0.498 -0.126 5.957 201 HA GLU 30 HA GLU 30 0.658 2.525 6.246 202 2HB GLU 30 2HB GLU 30 0.248 0.215 8.132 203 2HG GLU 30 2HG GLU 30 1.603 2.821 8.791 204 H VAL 31 H VAL 31 2.863 2.745 7.159 205 HA VAL 31 HA VAL 31 4.701 0.593 6.417 206 HB VAL 31 HB VAL 31 4.848 3.408 5.347 207 1HG1 VAL 31 1HG1 VAL 31 7.023 2.400 4.292 208 2HG1 VAL 31 2HG1 VAL 31 7.058 3.111 5.907 209 3HG1 VAL 31 3HG1 VAL 31 6.983 1.359 5.714 210 1HG2 VAL 31 1HG2 VAL 31 4.891 2.342 3.184 211 2HG2 VAL 31 2HG2 VAL 31 4.930 0.746 3.931 212 3HG2 VAL 31 3HG2 VAL 31 3.494 1.758 4.088 213 H ASN 32 H ASN 32 4.879 0.408 8.730 214 HA ASN 32 HA ASN 32 6.048 0.680 10.665 215 2HB ASN 32 2HB ASN 32 8.080 1.977 10.670 216 1HD2 ASN 32 1HD2 ASN 32 7.877 2.025 7.252 217 2HD2 ASN 32 2HD2 ASN 32 8.694 0.531 6.958 218 H ASP 33 H ASP 33 6.066 4.018 9.426 219 HA ASP 33 HA ASP 33 4.204 4.771 11.567 220 2HB ASP 33 2HB ASP 33 6.568 6.508 10.908 221 H ARG 34 H ARG 34 4.797 4.695 8.368 222 HA ARG 34 HA ARG 34 3.238 7.147 7.877 223 2HB ARG 34 2HB ARG 34 4.549 7.745 6.117 224 2HG ARG 34 2HG ARG 34 6.381 6.007 7.735 225 2HD ARG 34 2HD ARG 34 6.845 6.897 5.099 226 HE ARG 34 HE ARG 34 7.565 9.002 6.613 227 1HH1 ARG 34 2HH1 ARG 34 9.404 6.577 4.922 228 2HH1 ARG 34 1HH1 ARG 34 10.751 7.623 4.619 229 1HH2 ARG 34 2HH2 ARG 34 9.333 10.390 6.219 230 2HH2 ARG 34 1HH2 ARG 34 10.710 9.791 5.358 231 H GLN 35 H GLN 35 1.326 6.844 6.942 232 HA GLN 35 HA GLN 35 0.874 4.346 5.449 233 2HB GLN 35 2HB GLN 35 -0.862 3.791 6.746 234 2HG GLN 35 2HG GLN 35 -0.267 6.171 8.479 235 1HE2 GLN 35 1HE2 GLN 35 -2.249 6.228 9.431 236 2HE2 GLN 35 2HE2 GLN 35 -2.900 4.927 10.364 237 H GLY 36 H GLY 36 -0.765 4.448 3.793 238 1HA GLY 36 2HA GLY 36 -2.049 6.840 3.021 239 2HA GLY 36 1HA GLY 36 -0.544 6.683 2.128 240 H PHE 37 H PHE 37 -2.677 6.761 0.601 241 HA PHE 37 HA PHE 37 -3.776 4.130 0.136 242 2HB PHE 37 2HB PHE 37 -4.808 5.335 -1.886 243 HD1 PHE 37 HD1 PHE 37 -4.993 7.772 0.820 244 HD2 PHE 37 HD2 PHE 37 -6.637 4.188 -0.784 245 HE1 PHE 37 HE1 PHE 37 -6.953 8.019 2.286 246 HE2 PHE 37 HE2 PHE 37 -8.599 4.429 0.681 247 HZ PHE 37 HZ PHE 37 -8.760 6.347 2.217 248 H VAL 38 H VAL 38 -3.062 2.653 -1.268 249 HA VAL 38 HA VAL 38 -1.173 3.471 -3.362 250 HB VAL 38 HB VAL 38 0.111 1.332 -2.900 251 1HG1 VAL 38 1HG1 VAL 38 1.472 2.986 -2.251 252 2HG1 VAL 38 2HG1 VAL 38 0.173 3.864 -1.442 253 3HG1 VAL 38 3HG1 VAL 38 0.997 2.543 -0.613 254 1HG2 VAL 38 1HG2 VAL 38 -0.012 0.451 -0.612 255 2HG2 VAL 38 2HG2 VAL 38 -1.375 1.519 -0.280 256 3HG2 VAL 38 3HG2 VAL 38 -1.533 0.236 -1.479 257 HA PRO 39 HA PRO 39 -3.509 0.868 -6.016 258 2HB PRO 39 2HB PRO 39 -2.231 1.682 -7.743 259 2HG PRO 39 2HG PRO 39 0.036 2.118 -7.454 260 2HD PRO 39 2HD PRO 39 -0.818 3.229 -5.623 261 H ALA 40 H ALA 40 -4.299 -1.022 -5.331 262 HA ALA 40 HA ALA 40 -2.969 -2.999 -3.928 263 1HB ALA 40 1HB ALA 40 -5.402 -3.208 -5.692 264 2HB ALA 40 2HB ALA 40 -4.848 -4.492 -4.618 265 3HB ALA 40 3HB ALA 40 -5.357 -2.942 -3.949 266 H ALA 41 H ALA 41 -2.797 -2.268 -7.263 267 HA ALA 41 HA ALA 41 -2.177 -4.813 -8.311 268 1HB ALA 41 1HB ALA 41 -2.480 -2.241 -9.325 269 2HB ALA 41 2HB ALA 41 -0.811 -2.677 -9.693 270 3HB ALA 41 3HB ALA 41 -2.132 -3.708 -10.241 271 H TYR 42 H TYR 42 -0.323 -2.495 -6.521 272 HA TYR 42 HA TYR 42 2.207 -3.770 -7.190 273 2HB TYR 42 2HB TYR 42 3.104 -2.018 -5.551 274 HD1 TYR 42 HD1 TYR 42 0.623 -1.523 -8.299 275 HD2 TYR 42 HD2 TYR 42 4.451 -0.542 -6.719 276 HE1 TYR 42 HE1 TYR 42 1.124 -0.230 -10.330 277 HE2 TYR 42 HE2 TYR 42 4.961 0.754 -8.746 278 HH TYR 42 HH TYR 42 4.305 1.061 -10.950 279 H VAL 43 H VAL 43 -0.273 -4.203 -4.986 280 HA VAL 43 HA VAL 43 1.512 -5.711 -3.192 281 HB VAL 43 HB VAL 43 -0.104 -5.211 -1.340 282 1HG1 VAL 43 1HG1 VAL 43 1.783 -3.983 -1.028 283 2HG1 VAL 43 2HG1 VAL 43 1.691 -3.231 -2.623 284 3HG1 VAL 43 3HG1 VAL 43 0.654 -2.659 -1.315 285 1HG2 VAL 43 1HG2 VAL 43 -1.064 -2.886 -2.952 286 2HG2 VAL 43 2HG2 VAL 43 -1.868 -4.449 -3.099 287 3HG2 VAL 43 3HG2 VAL 43 -1.788 -3.641 -1.532 288 H LYS 44 H LYS 44 0.009 -7.199 -1.742 289 HA LYS 44 HA LYS 44 -2.343 -8.234 -2.969 290 2HB LYS 44 2HB LYS 44 -0.069 -10.187 -3.026 291 2HG LYS 44 2HG LYS 44 -2.657 -9.936 -4.540 292 2HD LYS 44 2HD LYS 44 -1.058 -10.737 -6.121 293 2HE LYS 44 2HE LYS 44 0.091 -12.038 -3.765 294 1HZ LYS 44 1HZ LYS 44 -0.859 -13.892 -5.285 295 2HZ LYS 44 2HZ LYS 44 0.721 -14.021 -4.696 296 3HZ LYS 44 3HZ LYS 44 0.451 -13.507 -6.285 297 H LYS 45 H LYS 45 -3.488 -9.493 -1.572 298 HA LYS 45 HA LYS 45 -2.773 -9.491 1.151 299 2HB LYS 45 2HB LYS 45 -4.714 -11.512 0.720 300 2HG LYS 45 2HG LYS 45 -5.586 -8.718 1.185 301 2HD LYS 45 2HD LYS 45 -6.271 -10.549 3.242 302 2HE LYS 45 2HE LYS 45 -7.601 -8.935 1.165 303 1HZ LYS 45 1HZ LYS 45 -8.641 -11.175 0.945 304 2HZ LYS 45 2HZ LYS 45 -9.708 -9.953 1.421 305 3HZ LYS 45 3HZ LYS 45 -9.128 -11.059 2.562 306 H LEU 46 H LEU 46 -2.310 -11.250 2.555 307 HA LEU 46 HA LEU 46 -1.131 -13.595 1.219 308 2HB LEU 46 2HB LEU 46 0.682 -13.606 2.764 309 HG LEU 46 HG LEU 46 0.241 -10.892 1.578 310 1HD1 LEU 46 1HD1 LEU 46 1.603 -11.093 3.900 311 2HD1 LEU 46 2HD1 LEU 46 1.977 -9.926 2.632 312 3HD1 LEU 46 3HD1 LEU 46 2.888 -11.432 2.741 313 1HD2 LEU 46 1HD2 LEU 46 1.240 -13.295 0.624 314 2HD2 LEU 46 2HD2 LEU 46 2.678 -12.330 0.958 315 3HD2 LEU 46 3HD2 LEU 46 1.428 -11.707 -0.120 316 H ASP 47 H ASP 47 -0.544 -15.231 3.189 317 HA ASP 47 HA ASP 47 -3.099 -15.626 4.600 318 2HB ASP 47 2HB ASP 47 -1.284 -17.932 4.403 319 H SER 48 H SER 48 -2.804 -14.728 6.568 320 HA SER 48 HA SER 48 -0.323 -14.960 8.001 321 2HB SER 48 2HB SER 48 -3.014 -13.952 8.957 322 HG SER 48 HG SER 48 -0.843 -12.826 10.079 323 H GLY 49 H GLY 49 -3.647 -15.947 8.862 324 1HA GLY 49 2HA GLY 49 -3.847 -18.426 9.334 325 2HA GLY 49 1HA GLY 49 -2.460 -18.183 10.385 326 H THR 50 H THR 50 -2.843 -16.275 11.995 327 HA THR 50 HA THR 50 -4.948 -17.062 13.700 328 HB THR 50 HB THR 50 -2.945 -16.090 14.640 329 HG1 THR 50 HG1 THR 50 -4.005 -14.979 16.157 330 1HG2 THR 50 1HG2 THR 50 -3.527 -13.319 13.872 331 2HG2 THR 50 2HG2 THR 50 -3.002 -14.349 12.540 332 3HG2 THR 50 3HG2 THR 50 -1.985 -14.169 13.969 333 H GLY 51 H GLY 51 -4.668 -14.562 11.271 334 1HA GLY 51 2HA GLY 51 -6.866 -13.959 10.260 335 2HA GLY 51 1HA GLY 51 -7.430 -13.720 11.907 336 H LYS 52 H LYS 52 -4.406 -12.719 10.331 337 HA LYS 52 HA LYS 52 -4.921 -9.986 11.253 338 2HB LYS 52 2HB LYS 52 -2.517 -9.612 10.739 339 2HG LYS 52 2HG LYS 52 -2.166 -12.011 12.314 340 2HD LYS 52 2HD LYS 52 -0.803 -9.891 12.343 341 2HE LYS 52 2HE LYS 52 -3.278 -8.701 12.796 342 1HZ LYS 52 1HZ LYS 52 -2.701 -7.509 14.944 343 2HZ LYS 52 2HZ LYS 52 -1.669 -8.808 15.272 344 3HZ LYS 52 3HZ LYS 52 -3.329 -9.074 15.084 345 H GLU 53 H GLU 53 -4.395 -8.186 9.818 346 HA GLU 53 HA GLU 53 -5.118 -8.815 7.036 347 2HB GLU 53 2HB GLU 53 -6.191 -6.755 6.878 348 2HG GLU 53 2HG GLU 53 -6.536 -7.195 9.824 349 H LEU 54 H LEU 54 -3.082 -9.225 6.206 350 HA LEU 54 HA LEU 54 -1.267 -6.905 6.128 351 2HB LEU 54 2HB LEU 54 0.111 -8.290 7.245 352 HG LEU 54 HG LEU 54 -1.589 -10.134 7.502 353 1HD1 LEU 54 1HD1 LEU 54 -0.620 -12.034 5.750 354 2HD1 LEU 54 2HD1 LEU 54 -0.780 -10.588 4.753 355 3HD1 LEU 54 3HD1 LEU 54 -2.173 -11.205 5.641 356 1HD2 LEU 54 1HD2 LEU 54 0.122 -11.860 7.919 357 2HD2 LEU 54 2HD2 LEU 54 0.586 -10.279 8.547 358 3HD2 LEU 54 3HD2 LEU 54 1.299 -10.878 7.049 359 H VAL 55 H VAL 55 0.206 -6.945 4.197 360 HA VAL 55 HA VAL 55 -0.775 -8.377 1.875 361 HB VAL 55 HB VAL 55 -0.788 -6.028 0.654 362 1HG1 VAL 55 1HG1 VAL 55 -3.084 -7.169 2.240 363 2HG1 VAL 55 2HG1 VAL 55 -3.251 -5.969 0.958 364 3HG1 VAL 55 3HG1 VAL 55 -2.628 -7.578 0.587 365 1HG2 VAL 55 1HG2 VAL 55 -1.738 -5.324 3.431 366 2HG2 VAL 55 2HG2 VAL 55 -0.232 -4.770 2.698 367 3HG2 VAL 55 3HG2 VAL 55 -1.780 -4.278 2.012 368 H LEU 56 H LEU 56 0.996 -9.082 0.899 369 HA LEU 56 HA LEU 56 3.575 -7.992 1.391 370 2HB LEU 56 2HB LEU 56 2.737 -9.906 -0.782 371 HG LEU 56 HG LEU 56 4.998 -10.902 -0.467 372 1HD1 LEU 56 1HD1 LEU 56 5.762 -8.250 -1.324 373 2HD1 LEU 56 2HD1 LEU 56 4.211 -8.735 -2.008 374 3HD1 LEU 56 3HD1 LEU 56 5.636 -9.744 -2.252 375 1HD2 LEU 56 1HD2 LEU 56 5.138 -9.382 1.774 376 2HD2 LEU 56 2HD2 LEU 56 6.078 -8.408 0.644 377 3HD2 LEU 56 3HD2 LEU 56 6.533 -10.084 0.954 378 H ALA 57 H ALA 57 4.983 -6.934 -0.037 379 HA ALA 57 HA ALA 57 3.619 -5.249 -1.990 380 1HB ALA 57 1HB ALA 57 5.938 -4.967 -0.263 381 2HB ALA 57 2HB ALA 57 6.250 -4.428 -1.914 382 3HB ALA 57 3HB ALA 57 4.915 -3.731 -0.997 383 H LEU 58 H LEU 58 3.482 -6.062 -3.981 384 HA LEU 58 HA LEU 58 5.400 -7.941 -5.006 385 2HB LEU 58 2HB LEU 58 4.010 -8.112 -6.901 386 HG LEU 58 HG LEU 58 2.170 -7.496 -4.591 387 1HD1 LEU 58 1HD1 LEU 58 1.195 -9.328 -6.616 388 2HD1 LEU 58 2HD1 LEU 58 1.473 -7.709 -7.255 389 3HD1 LEU 58 3HD1 LEU 58 0.405 -7.939 -5.871 390 1HD2 LEU 58 1HD2 LEU 58 3.687 -9.313 -4.111 391 2HD2 LEU 58 2HD2 LEU 58 3.309 -10.079 -5.653 392 3HD2 LEU 58 3HD2 LEU 58 2.071 -9.955 -4.403 393 H TYR 59 H TYR 59 4.575 -4.554 -5.600 394 HA TYR 59 HA TYR 59 7.122 -4.277 -7.049 395 2HB TYR 59 2HB TYR 59 6.170 -2.928 -8.701 396 HD1 TYR 59 HD1 TYR 59 6.292 -5.850 -8.613 397 HD2 TYR 59 HD2 TYR 59 2.925 -3.279 -8.991 398 HE1 TYR 59 HE1 TYR 59 5.064 -7.639 -9.773 399 HE2 TYR 59 HE2 TYR 59 1.687 -5.060 -10.151 400 HH TYR 59 HH TYR 59 3.202 -7.912 -11.285 401 H ASP 60 H ASP 60 8.120 -2.191 -6.907 402 HA ASP 60 HA ASP 60 7.847 -1.019 -4.304 403 2HB ASP 60 2HB ASP 60 10.053 -1.261 -5.310 404 H TYR 61 H TYR 61 6.780 0.768 -3.721 405 HA TYR 61 HA TYR 61 5.858 2.621 -5.801 406 2HB TYR 61 2HB TYR 61 4.110 1.438 -3.633 407 HD1 TYR 61 HD1 TYR 61 2.525 2.349 -6.658 408 HD2 TYR 61 HD2 TYR 61 3.830 3.936 -2.933 409 HE1 TYR 61 HE1 TYR 61 0.960 4.229 -6.918 410 HE2 TYR 61 HE2 TYR 61 2.268 5.820 -3.181 411 HH TYR 61 HH TYR 61 1.039 6.858 -5.774 412 H GLN 62 H GLN 62 5.228 4.725 -4.972 413 HA GLN 62 HA GLN 62 6.132 5.347 -2.264 414 2HB GLN 62 2HB GLN 62 7.058 7.439 -3.964 415 2HG GLN 62 2HG GLN 62 9.339 6.437 -3.163 416 1HE2 GLN 62 1HE2 GLN 62 6.300 7.470 -1.740 417 2HE2 GLN 62 2HE2 GLN 62 6.970 8.720 -0.753 418 H GLU 63 H GLU 63 4.755 6.670 -1.277 419 HA GLU 63 HA GLU 63 2.955 8.301 -2.946 420 2HB GLU 63 2HB GLU 63 1.997 7.699 -0.249 421 2HG GLU 63 2HG GLU 63 -0.064 7.405 -1.246 422 H SER 64 H SER 64 2.571 10.405 -2.353 423 HA SER 64 HA SER 64 4.271 11.446 -0.184 424 2HB SER 64 2HB SER 64 4.483 13.501 -1.414 425 HG SER 64 HG SER 64 5.658 11.540 -2.181 426 H GLY 65 H GLY 65 2.914 11.527 1.537 427 1HA GLY 65 2HA GLY 65 1.330 12.504 2.900 428 2HA GLY 65 1HA GLY 65 0.919 13.579 1.571 429 H ASP 66 H ASP 66 -0.039 10.899 3.403 430 HA ASP 66 HA ASP 66 -1.539 9.254 1.919 431 2HB ASP 66 2HB ASP 66 -1.514 9.180 4.366 432 H ASN 67 H ASN 67 -2.568 9.798 0.090 433 HA ASN 67 HA ASN 67 -4.636 11.890 0.265 434 2HB ASN 67 2HB ASN 67 -2.522 11.427 -1.760 435 1HD2 ASN 67 1HD2 ASN 67 -3.078 10.626 -3.660 436 2HD2 ASN 67 2HD2 ASN 67 -4.452 11.103 -4.592 437 H ALA 68 H ALA 68 -6.528 11.564 -1.018 438 HA ALA 68 HA ALA 68 -7.364 8.822 -1.092 439 1HB ALA 68 1HB ALA 68 -8.638 11.458 -1.396 440 2HB ALA 68 2HB ALA 68 -9.398 10.135 -2.282 441 3HB ALA 68 3HB ALA 68 -9.188 10.020 -0.535 442 HA PRO 69 HA PRO 69 -6.292 7.905 -5.269 443 2HB PRO 69 2HB PRO 69 -6.519 5.697 -4.677 444 2HG PRO 69 2HG PRO 69 -8.117 5.029 -3.125 445 2HD PRO 69 2HD PRO 69 -7.130 6.755 -1.961 446 H SER 70 H SER 70 -7.217 9.954 -6.035 447 HA SER 70 HA SER 70 -9.965 9.862 -6.987 448 2HB SER 70 2HB SER 70 -8.258 12.156 -7.738 449 HG SER 70 HG SER 70 -10.717 11.993 -6.331 450 H TYR 71 H TYR 71 -7.048 8.805 -8.095 451 HA TYR 71 HA TYR 71 -7.959 8.958 -10.885 452 2HB TYR 71 2HB TYR 71 -6.214 10.542 -10.869 453 HD1 TYR 71 HD1 TYR 71 -4.745 7.497 -9.264 454 HD2 TYR 71 HD2 TYR 71 -4.712 11.738 -9.598 455 HE1 TYR 71 HE1 TYR 71 -3.014 7.614 -7.521 456 HE2 TYR 71 HE2 TYR 71 -2.980 11.868 -7.856 457 HH TYR 71 HH TYR 71 -1.505 8.958 -6.511 458 H SER 72 H SER 72 -6.646 7.346 -12.265 459 HA SER 72 HA SER 72 -7.046 4.757 -11.147 460 2HB SER 72 2HB SER 72 -5.983 4.007 -13.351 461 HG SER 72 HG SER 72 -8.129 5.841 -13.615 462 HA PRO 73 HA PRO 73 -3.102 3.804 -9.476 463 2HB PRO 73 2HB PRO 73 -3.998 1.796 -8.813 464 2HG PRO 73 2HG PRO 73 -5.519 0.658 -10.155 465 2HD PRO 73 2HD PRO 73 -6.480 2.753 -10.154 466 HA PRO 74 HA PRO 74 -0.101 4.132 -12.696 467 2HB PRO 74 2HB PRO 74 1.291 5.026 -11.101 468 2HG PRO 74 2HG PRO 74 1.224 4.283 -8.898 469 2HD PRO 74 2HD PRO 74 -1.021 4.668 -9.255 470 HA PRO 75 HA PRO 75 0.536 0.101 -14.358 471 2HB PRO 75 2HB PRO 75 0.996 1.147 -16.351 472 2HG PRO 75 2HG PRO 75 2.120 3.182 -16.406 473 2HD PRO 75 2HD PRO 75 0.494 3.669 -14.846 474 HA PRO 76 HA PRO 76 3.646 -1.551 -11.612 475 2HB PRO 76 2HB PRO 76 2.137 -3.222 -11.156 476 2HG PRO 76 2HG PRO 76 0.596 -3.915 -12.753 477 2HD PRO 76 2HD PRO 76 0.264 -1.637 -12.843 478 HA PRO 77 HA PRO 77 7.176 -2.472 -14.067 479 2HB PRO 77 2HB PRO 77 8.348 -2.817 -12.122 480 2HG PRO 77 2HG PRO 77 7.369 -3.895 -10.307 481 2HD PRO 77 2HD PRO 77 5.737 -2.334 -10.768 Start of MODEL 3 1 1H GLY 1 1H GLY 1 7.678 18.602 -7.605 2 1HA GLY 1 2HA GLY 1 7.060 19.560 -5.050 3 2HA GLY 1 1HA GLY 1 5.956 19.544 -6.417 4 H ALA 2 H ALA 2 7.431 17.050 -4.335 5 HA ALA 2 HA ALA 2 4.769 16.209 -3.489 6 1HB ALA 2 1HB ALA 2 6.116 14.885 -5.565 7 2HB ALA 2 2HB ALA 2 6.264 13.850 -4.143 8 3HB ALA 2 3HB ALA 2 4.669 14.355 -4.704 9 H MET 3 H MET 3 5.296 16.823 -1.400 10 HA MET 3 HA MET 3 7.462 15.286 -0.123 11 2HB MET 3 2HB MET 3 6.287 17.813 1.006 12 2HG MET 3 2HG MET 3 8.500 18.060 2.020 13 1HE MET 3 1HE MET 3 9.217 15.947 4.748 14 2HE MET 3 2HE MET 3 9.233 17.558 4.032 15 3HE MET 3 3HE MET 3 8.027 17.147 5.251 16 H GLY 4 H GLY 4 4.564 17.014 1.038 17 1HA GLY 4 2HA GLY 4 2.882 16.357 2.453 18 2HA GLY 4 1HA GLY 4 3.085 14.752 1.765 19 HA PRO 5 HA PRO 5 4.802 15.242 6.245 20 2HB PRO 5 2HB PRO 5 3.099 16.391 7.275 21 2HG PRO 5 2HG PRO 5 0.946 16.387 6.396 22 2HD PRO 5 2HD PRO 5 2.145 16.941 4.507 23 H ARG 6 H ARG 6 2.460 13.117 4.732 24 HA ARG 6 HA ARG 6 3.757 10.829 6.061 25 2HB ARG 6 2HB ARG 6 1.702 9.687 6.244 26 2HG ARG 6 2HG ARG 6 1.163 12.582 6.859 27 2HD ARG 6 2HD ARG 6 -0.257 10.457 8.320 28 HE ARG 6 HE ARG 6 -0.782 13.202 7.581 29 1HH1 ARG 6 2HH1 ARG 6 -2.069 10.247 8.896 30 2HH1 ARG 6 1HH1 ARG 6 -3.372 11.031 9.727 31 1HH2 ARG 6 2HH2 ARG 6 -2.494 14.245 8.670 32 2HH2 ARG 6 1HH2 ARG 6 -3.614 13.305 9.596 33 H GLU 7 H GLU 7 5.083 10.071 4.514 34 HA GLU 7 HA GLU 7 3.959 9.642 1.826 35 2HB GLU 7 2HB GLU 7 6.249 9.676 0.984 36 2HG GLU 7 2HG GLU 7 4.926 11.900 1.876 37 H VAL 8 H VAL 8 3.143 7.619 1.884 38 HA VAL 8 HA VAL 8 4.606 5.468 3.178 39 HB VAL 8 HB VAL 8 2.017 5.806 3.125 40 1HG1 VAL 8 1HG1 VAL 8 0.885 4.624 1.337 41 2HG1 VAL 8 2HG1 VAL 8 1.870 5.926 0.668 42 3HG1 VAL 8 3HG1 VAL 8 2.429 4.257 0.570 43 1HG2 VAL 8 1HG2 VAL 8 1.746 3.585 3.724 44 2HG2 VAL 8 2HG2 VAL 8 2.907 3.012 2.525 45 3HG2 VAL 8 3HG2 VAL 8 3.474 3.837 3.977 46 H THR 9 H THR 9 5.962 4.141 2.174 47 HA THR 9 HA THR 9 5.799 3.909 -0.760 48 HB THR 9 HB THR 9 8.126 4.013 -1.017 49 HG1 THR 9 HG1 THR 9 8.670 2.667 0.775 50 1HG2 THR 9 1HG2 THR 9 8.681 6.158 -0.303 51 2HG2 THR 9 2HG2 THR 9 7.834 5.973 1.233 52 3HG2 THR 9 3HG2 THR 9 6.919 6.181 -0.261 53 H MET 10 H MET 10 5.715 1.892 -1.527 54 HA MET 10 HA MET 10 5.974 -0.314 0.368 55 2HB MET 10 2HB MET 10 4.889 -1.662 -1.396 56 2HG MET 10 2HG MET 10 3.551 0.904 -0.625 57 1HE MET 10 1HE MET 10 2.074 -2.122 -3.676 58 2HE MET 10 2HE MET 10 3.552 -1.164 -3.785 59 3HE MET 10 3HE MET 10 3.381 -2.382 -2.520 60 H LYS 11 H LYS 11 7.569 -1.781 0.314 61 HA LYS 11 HA LYS 11 9.546 -1.553 -1.858 62 2HB LYS 11 2HB LYS 11 10.960 -1.200 -0.149 63 2HG LYS 11 2HG LYS 11 8.876 -2.373 1.672 64 2HD LYS 11 2HD LYS 11 10.272 -1.781 3.538 65 2HE LYS 11 2HE LYS 11 12.359 -3.163 2.017 66 1HZ LYS 11 1HZ LYS 11 11.343 -3.177 4.578 67 2HZ LYS 11 2HZ LYS 11 12.564 -4.172 3.964 68 3HZ LYS 11 3HZ LYS 11 10.956 -4.698 3.945 69 H LYS 12 H LYS 12 9.676 -3.203 -3.217 70 HA LYS 12 HA LYS 12 8.123 -5.435 -3.273 71 2HB LYS 12 2HB LYS 12 10.978 -5.566 -4.213 72 2HG LYS 12 2HG LYS 12 8.471 -6.914 -4.897 73 2HD LYS 12 2HD LYS 12 8.957 -5.284 -6.833 74 2HE LYS 12 2HE LYS 12 10.929 -7.332 -7.718 75 1HZ LYS 12 1HZ LYS 12 11.714 -4.868 -8.522 76 2HZ LYS 12 2HZ LYS 12 10.029 -4.728 -8.532 77 3HZ LYS 12 3HZ LYS 12 10.782 -5.943 -9.437 78 H GLY 13 H GLY 13 7.826 -6.931 -1.756 79 1HA GLY 13 2HA GLY 13 8.534 -8.907 -0.653 80 2HA GLY 13 1HA GLY 13 10.182 -8.295 -0.670 81 H ASP 14 H ASP 14 7.453 -6.358 0.345 82 HA ASP 14 HA ASP 14 8.372 -6.595 3.134 83 2HB ASP 14 2HB ASP 14 7.187 -4.025 2.212 84 H ILE 15 H ILE 15 6.792 -6.386 4.753 85 HA ILE 15 HA ILE 15 4.068 -6.941 3.805 86 HB ILE 15 HB ILE 15 5.214 -7.407 6.559 87 2HG1 ILE 15 2HG1 ILE 15 6.268 -8.774 4.726 88 1HG2 ILE 15 1HG2 ILE 15 2.885 -8.941 5.688 89 2HG2 ILE 15 2HG2 ILE 15 3.191 -8.105 7.210 90 3HG2 ILE 15 3HG2 ILE 15 2.594 -7.206 5.815 91 1HD1 ILE 15 1HD1 ILE 15 6.315 -10.754 5.891 92 2HD1 ILE 15 2HD1 ILE 15 5.830 -9.608 7.140 93 3HD1 ILE 15 3HD1 ILE 15 4.622 -10.636 6.370 94 H LEU 16 H LEU 16 2.931 -5.106 3.652 95 HA LEU 16 HA LEU 16 3.182 -3.103 5.786 96 2HB LEU 16 2HB LEU 16 2.571 -1.480 4.292 97 HG LEU 16 HG LEU 16 4.449 -3.206 3.203 98 1HD1 LEU 16 1HD1 LEU 16 3.333 -4.187 1.498 99 2HD1 LEU 16 2HD1 LEU 16 3.713 -2.667 0.689 100 3HD1 LEU 16 3HD1 LEU 16 2.120 -2.909 1.407 101 1HD2 LEU 16 1HD2 LEU 16 3.597 -0.409 2.900 102 2HD2 LEU 16 2HD2 LEU 16 4.548 -1.052 1.561 103 3HD2 LEU 16 3HD2 LEU 16 5.198 -1.085 3.202 104 H THR 17 H THR 17 1.607 -2.859 7.225 105 HA THR 17 HA THR 17 -0.478 -4.523 7.665 106 HB THR 17 HB THR 17 -0.398 -1.556 8.235 107 HG1 THR 17 HG1 THR 17 0.074 -3.797 9.933 108 1HG2 THR 17 1HG2 THR 17 -2.200 -1.843 9.759 109 2HG2 THR 17 2HG2 THR 17 -2.178 -3.595 9.560 110 3HG2 THR 17 3HG2 THR 17 -2.716 -2.564 8.235 111 H LEU 18 H LEU 18 -2.312 -5.038 6.674 112 HA LEU 18 HA LEU 18 -3.125 -3.771 4.271 113 2HB LEU 18 2HB LEU 18 -4.776 -5.637 5.959 114 HG LEU 18 HG LEU 18 -5.111 -6.516 3.428 115 1HD1 LEU 18 1HD1 LEU 18 -6.775 -5.934 5.269 116 2HD1 LEU 18 2HD1 LEU 18 -7.312 -5.735 3.601 117 3HD1 LEU 18 3HD1 LEU 18 -6.832 -4.326 4.547 118 1HD2 LEU 18 1HD2 LEU 18 -3.819 -4.559 2.569 119 2HD2 LEU 18 2HD2 LEU 18 -5.093 -3.512 3.194 120 3HD2 LEU 18 3HD2 LEU 18 -5.459 -4.687 1.931 121 H LEU 19 H LEU 19 -3.222 -1.571 5.310 122 HA LEU 19 HA LEU 19 -5.178 -0.805 7.135 123 2HB LEU 19 2HB LEU 19 -5.023 1.391 5.588 124 HG LEU 19 HG LEU 19 -4.214 1.523 7.829 125 1HD1 LEU 19 1HD1 LEU 19 -2.105 -0.384 6.876 126 2HD1 LEU 19 2HD1 LEU 19 -3.204 -0.542 8.244 127 3HD1 LEU 19 3HD1 LEU 19 -1.874 0.614 8.312 128 1HD2 LEU 19 1HD2 LEU 19 -2.280 2.904 7.549 129 2HD2 LEU 19 2HD2 LEU 19 -3.330 3.144 6.152 130 3HD2 LEU 19 3HD2 LEU 19 -1.889 2.135 6.011 131 H ASN 20 H ASN 20 -6.887 0.981 6.249 132 HA ASN 20 HA ASN 20 -9.098 -0.332 5.384 133 2HB ASN 20 2HB ASN 20 -9.191 2.262 4.186 134 1HD2 ASN 20 1HD2 ASN 20 -11.345 1.698 4.149 135 2HD2 ASN 20 2HD2 ASN 20 -12.327 1.676 5.571 136 H SER 21 H SER 21 -9.207 -1.669 3.693 137 HA SER 21 HA SER 21 -7.946 -0.917 1.165 138 2HB SER 21 2HB SER 21 -7.633 -3.217 2.175 139 HG SER 21 HG SER 21 -9.372 -4.261 2.674 140 H THR 22 H THR 22 -10.602 0.068 2.421 141 HA THR 22 HA THR 22 -12.883 -0.640 1.254 142 HB THR 22 HB THR 22 -12.936 1.334 2.550 143 HG1 THR 22 HG1 THR 22 -13.392 2.241 -0.109 144 1HG2 THR 22 1HG2 THR 22 -11.614 3.195 2.296 145 2HG2 THR 22 2HG2 THR 22 -11.464 2.983 0.551 146 3HG2 THR 22 3HG2 THR 22 -10.535 1.960 1.647 147 H ASN 23 H ASN 23 -10.569 1.496 -0.429 148 HA ASN 23 HA ASN 23 -11.909 1.490 -2.894 149 2HB ASN 23 2HB ASN 23 -9.209 1.828 -3.503 150 1HD2 ASN 23 1HD2 ASN 23 -9.293 3.439 -4.877 151 2HD2 ASN 23 2HD2 ASN 23 -10.360 4.795 -4.799 152 H LYS 24 H LYS 24 -11.399 0.419 -4.864 153 HA LYS 24 HA LYS 24 -10.527 -2.335 -4.445 154 2HB LYS 24 2HB LYS 24 -11.302 -2.134 -7.085 155 2HG LYS 24 2HG LYS 24 -13.445 -2.550 -5.074 156 2HD LYS 24 2HD LYS 24 -12.941 -3.241 -7.771 157 2HE LYS 24 2HE LYS 24 -12.526 -5.453 -5.877 158 1HZ LYS 24 1HZ LYS 24 -13.770 -7.042 -6.991 159 2HZ LYS 24 2HZ LYS 24 -14.069 -6.042 -8.323 160 3HZ LYS 24 3HZ LYS 24 -14.854 -5.751 -6.853 161 H ASP 25 H ASP 25 -9.939 0.293 -6.783 162 HA ASP 25 HA ASP 25 -7.629 -1.020 -7.873 163 2HB ASP 25 2HB ASP 25 -7.404 0.926 -9.281 164 H TRP 26 H TRP 26 -8.098 0.469 -5.006 165 HA TRP 26 HA TRP 26 -5.252 0.977 -4.687 166 2HB TRP 26 2HB TRP 26 -5.755 3.169 -3.521 167 HD1 TRP 26 HD1 TRP 26 -7.530 3.227 -6.942 168 HE1 TRP 26 HE1 TRP 26 -5.997 4.429 -8.624 169 HE3 TRP 26 HE3 TRP 26 -3.401 3.830 -3.990 170 HZ2 TRP 26 HZ2 TRP 26 -3.383 5.492 -8.691 171 HZ3 TRP 26 HZ3 TRP 26 -1.426 4.949 -4.939 172 HH2 TRP 26 HH2 TRP 26 -1.419 5.761 -7.242 173 H TRP 27 H TRP 27 -4.625 -0.030 -2.904 174 HA TRP 27 HA TRP 27 -6.591 -0.418 -0.745 175 2HB TRP 27 2HB TRP 27 -4.694 -2.257 -0.182 176 HD1 TRP 27 HD1 TRP 27 -7.922 -1.550 -1.945 177 HE1 TRP 27 HE1 TRP 27 -9.395 -3.661 -1.945 178 HE3 TRP 27 HE3 TRP 27 -4.465 -4.952 -0.330 179 HZ2 TRP 27 HZ2 TRP 27 -9.127 -6.404 -1.338 180 HZ3 TRP 27 HZ3 TRP 27 -5.154 -7.299 -0.065 181 HH2 TRP 27 HH2 TRP 27 -7.438 -8.008 -0.560 182 H LYS 28 H LYS 28 -6.258 0.854 0.945 183 HA LYS 28 HA LYS 28 -3.930 2.358 1.389 184 2HB LYS 28 2HB LYS 28 -5.792 1.651 3.629 185 2HG LYS 28 2HG LYS 28 -4.818 4.358 2.772 186 2HD LYS 28 2HD LYS 28 -5.633 3.384 5.500 187 2HE LYS 28 2HE LYS 28 -5.175 6.060 4.220 188 1HZ LYS 28 1HZ LYS 28 -6.923 6.817 5.352 189 2HZ LYS 28 2HZ LYS 28 -5.992 6.580 6.744 190 3HZ LYS 28 3HZ LYS 28 -7.095 5.395 6.254 191 H VAL 29 H VAL 29 -2.097 1.987 2.496 192 HA VAL 29 HA VAL 29 -1.927 -0.299 4.303 193 HB VAL 29 HB VAL 29 0.010 -1.252 3.277 194 1HG1 VAL 29 1HG1 VAL 29 -0.909 -1.793 0.955 195 2HG1 VAL 29 2HG1 VAL 29 -1.929 -2.181 2.342 196 3HG1 VAL 29 3HG1 VAL 29 -2.260 -0.741 1.379 197 1HG2 VAL 29 1HG2 VAL 29 0.879 -0.358 1.109 198 2HG2 VAL 29 2HG2 VAL 29 -0.140 1.061 1.350 199 3HG2 VAL 29 3HG2 VAL 29 1.151 0.698 2.495 200 H GLU 30 H GLU 30 -0.494 -0.024 5.954 201 HA GLU 30 HA GLU 30 0.726 2.620 6.168 202 2HB GLU 30 2HB GLU 30 0.107 0.447 8.153 203 2HG GLU 30 2HG GLU 30 1.486 3.017 8.864 204 H VAL 31 H VAL 31 2.909 2.886 6.909 205 HA VAL 31 HA VAL 31 4.665 0.581 6.411 206 HB VAL 31 HB VAL 31 5.007 3.366 5.302 207 1HG1 VAL 31 1HG1 VAL 31 7.181 2.956 5.861 208 2HG1 VAL 31 2HG1 VAL 31 6.985 1.203 5.793 209 3HG1 VAL 31 3HG1 VAL 31 7.121 2.135 4.301 210 1HG2 VAL 31 1HG2 VAL 31 5.202 0.847 3.719 211 2HG2 VAL 31 2HG2 VAL 31 3.609 1.458 4.167 212 3HG2 VAL 31 3HG2 VAL 31 4.702 2.460 3.211 213 H ASN 32 H ASN 32 4.584 0.554 8.796 214 HA ASN 32 HA ASN 32 5.687 0.813 10.774 215 2HB ASN 32 2HB ASN 32 7.848 1.846 10.830 216 1HD2 ASN 32 1HD2 ASN 32 7.789 1.821 7.399 217 2HD2 ASN 32 2HD2 ASN 32 8.460 0.243 7.179 218 H ASP 33 H ASP 33 6.111 4.040 9.330 219 HA ASP 33 HA ASP 33 4.336 5.117 11.418 220 2HB ASP 33 2HB ASP 33 6.633 6.754 10.433 221 H ARG 34 H ARG 34 5.281 5.026 8.131 222 HA ARG 34 HA ARG 34 3.604 7.349 7.485 223 2HB ARG 34 2HB ARG 34 4.796 7.612 5.522 224 2HG ARG 34 2HG ARG 34 6.662 6.391 7.517 225 2HD ARG 34 2HD ARG 34 7.160 6.562 4.743 226 HE ARG 34 HE ARG 34 8.015 8.952 5.953 227 1HH1 ARG 34 2HH1 ARG 34 9.194 6.392 3.909 228 2HH1 ARG 34 1HH1 ARG 34 10.361 7.392 3.108 229 1HH2 ARG 34 2HH2 ARG 34 9.547 10.279 4.905 230 2HH2 ARG 34 1HH2 ARG 34 10.560 9.603 3.676 231 H GLN 35 H GLN 35 1.597 6.997 6.824 232 HA GLN 35 HA GLN 35 0.989 4.467 5.447 233 2HB GLN 35 2HB GLN 35 -0.519 3.941 7.003 234 2HG GLN 35 2HG GLN 35 0.264 6.526 8.325 235 1HE2 GLN 35 1HE2 GLN 35 -2.090 6.824 8.654 236 2HE2 GLN 35 2HE2 GLN 35 -2.823 6.026 9.999 237 H GLY 36 H GLY 36 -0.540 4.543 3.786 238 1HA GLY 36 2HA GLY 36 -2.029 6.863 3.120 239 2HA GLY 36 1HA GLY 36 -0.551 6.806 2.172 240 H PHE 37 H PHE 37 -2.563 6.778 0.604 241 HA PHE 37 HA PHE 37 -3.667 4.139 0.193 242 2HB PHE 37 2HB PHE 37 -4.629 5.298 -1.902 243 HD1 PHE 37 HD1 PHE 37 -4.881 7.716 0.838 244 HD2 PHE 37 HD2 PHE 37 -6.535 4.212 -0.925 245 HE1 PHE 37 HE1 PHE 37 -6.894 7.970 2.229 246 HE2 PHE 37 HE2 PHE 37 -8.551 4.462 0.463 247 HZ PHE 37 HZ PHE 37 -8.733 6.343 2.041 248 H VAL 38 H VAL 38 -3.056 2.662 -1.296 249 HA VAL 38 HA VAL 38 -1.051 3.402 -3.298 250 HB VAL 38 HB VAL 38 0.169 1.238 -2.783 251 1HG1 VAL 38 1HG1 VAL 38 0.315 3.813 -1.512 252 2HG1 VAL 38 2HG1 VAL 38 0.892 2.553 -0.420 253 3HG1 VAL 38 3HG1 VAL 38 1.618 2.738 -2.016 254 1HG2 VAL 38 1HG2 VAL 38 -1.567 0.221 -1.390 255 2HG2 VAL 38 2HG2 VAL 38 -0.040 0.352 -0.517 256 3HG2 VAL 38 3HG2 VAL 38 -1.346 1.490 -0.185 257 HA PRO 39 HA PRO 39 -3.375 0.828 -5.992 258 2HB PRO 39 2HB PRO 39 -2.031 1.598 -7.690 259 2HG PRO 39 2HG PRO 39 0.235 1.984 -7.344 260 2HD PRO 39 2HD PRO 39 -0.641 3.131 -5.547 261 H ALA 40 H ALA 40 -4.224 -1.030 -5.289 262 HA ALA 40 HA ALA 40 -2.974 -3.026 -3.843 263 1HB ALA 40 1HB ALA 40 -5.122 -3.579 -3.697 264 2HB ALA 40 2HB ALA 40 -5.518 -2.670 -5.156 265 3HB ALA 40 3HB ALA 40 -4.965 -4.340 -5.280 266 H ALA 41 H ALA 41 -2.837 -2.394 -7.228 267 HA ALA 41 HA ALA 41 -2.194 -4.958 -8.191 268 1HB ALA 41 1HB ALA 41 -2.409 -2.356 -9.252 269 2HB ALA 41 2HB ALA 41 -0.811 -2.959 -9.691 270 3HB ALA 41 3HB ALA 41 -2.251 -3.877 -10.127 271 H TYR 42 H TYR 42 -0.328 -2.574 -6.492 272 HA TYR 42 HA TYR 42 2.201 -3.857 -7.128 273 2HB TYR 42 2HB TYR 42 3.084 -2.085 -5.498 274 HD1 TYR 42 HD1 TYR 42 0.625 -1.650 -8.275 275 HD2 TYR 42 HD2 TYR 42 4.421 -0.598 -6.668 276 HE1 TYR 42 HE1 TYR 42 1.131 -0.378 -10.319 277 HE2 TYR 42 HE2 TYR 42 4.937 0.678 -8.706 278 HH TYR 42 HH TYR 42 3.746 1.781 -10.539 279 H VAL 43 H VAL 43 -0.274 -4.417 -5.008 280 HA VAL 43 HA VAL 43 1.523 -5.845 -3.168 281 HB VAL 43 HB VAL 43 -0.093 -5.367 -1.322 282 1HG1 VAL 43 1HG1 VAL 43 1.970 -3.789 -2.342 283 2HG1 VAL 43 2HG1 VAL 43 0.682 -2.657 -1.927 284 3HG1 VAL 43 3HG1 VAL 43 1.316 -3.761 -0.705 285 1HG2 VAL 43 1HG2 VAL 43 -1.887 -3.986 -1.539 286 2HG2 VAL 43 2HG2 VAL 43 -1.136 -3.025 -2.813 287 3HG2 VAL 43 3HG2 VAL 43 -1.829 -4.602 -3.191 288 H LYS 44 H LYS 44 -0.045 -7.301 -1.689 289 HA LYS 44 HA LYS 44 -2.342 -8.391 -2.946 290 2HB LYS 44 2HB LYS 44 0.121 -10.136 -3.066 291 2HG LYS 44 2HG LYS 44 -2.670 -10.490 -4.129 292 2HD LYS 44 2HD LYS 44 -1.090 -11.179 -5.843 293 2HE LYS 44 2HE LYS 44 0.444 -12.043 -3.573 294 1HZ LYS 44 1HZ LYS 44 -0.518 -14.231 -4.172 295 2HZ LYS 44 2HZ LYS 44 1.163 -14.160 -4.351 296 3HZ LYS 44 3HZ LYS 44 0.162 -14.078 -5.714 297 H LYS 45 H LYS 45 -3.518 -9.505 -1.491 298 HA LYS 45 HA LYS 45 -2.770 -9.546 1.215 299 2HB LYS 45 2HB LYS 45 -4.786 -11.508 0.775 300 2HG LYS 45 2HG LYS 45 -5.442 -8.660 1.371 301 2HD LYS 45 2HD LYS 45 -6.420 -10.581 3.236 302 2HE LYS 45 2HE LYS 45 -7.440 -8.564 1.363 303 1HZ LYS 45 1HZ LYS 45 -9.657 -9.329 1.335 304 2HZ LYS 45 2HZ LYS 45 -9.313 -10.636 2.350 305 3HZ LYS 45 3HZ LYS 45 -8.718 -10.617 0.767 306 H LEU 46 H LEU 46 -1.931 -11.092 2.531 307 HA LEU 46 HA LEU 46 -0.875 -13.493 1.205 308 2HB LEU 46 2HB LEU 46 0.725 -13.601 3.050 309 HG LEU 46 HG LEU 46 0.620 -10.922 1.686 310 1HD1 LEU 46 1HD1 LEU 46 2.223 -10.105 2.981 311 2HD1 LEU 46 2HD1 LEU 46 3.194 -11.563 2.784 312 3HD1 LEU 46 3HD1 LEU 46 1.985 -11.476 4.065 313 1HD2 LEU 46 1HD2 LEU 46 2.239 -11.787 0.249 314 2HD2 LEU 46 2HD2 LEU 46 1.115 -13.129 0.470 315 3HD2 LEU 46 3HD2 LEU 46 2.645 -13.106 1.346 316 H ASP 47 H ASP 47 -0.510 -15.329 2.938 317 HA ASP 47 HA ASP 47 -3.081 -15.703 4.331 318 2HB ASP 47 2HB ASP 47 -2.575 -18.185 4.015 319 H SER 48 H SER 48 -2.644 -15.187 6.402 320 HA SER 48 HA SER 48 -0.172 -16.100 7.643 321 2HB SER 48 2HB SER 48 -0.871 -13.812 8.108 322 HG SER 48 HG SER 48 -3.192 -14.965 9.268 323 H GLY 49 H GLY 49 -3.681 -16.454 8.096 324 1HA GLY 49 2HA GLY 49 -4.835 -18.335 8.826 325 2HA GLY 49 1HA GLY 49 -3.296 -19.135 9.110 326 H THR 50 H THR 50 -4.364 -16.025 10.403 327 HA THR 50 HA THR 50 -4.629 -17.225 13.063 328 HB THR 50 HB THR 50 -2.362 -16.464 13.099 329 HG1 THR 50 HG1 THR 50 -2.740 -14.481 14.554 330 1HG2 THR 50 1HG2 THR 50 -2.328 -14.988 11.201 331 2HG2 THR 50 2HG2 THR 50 -1.801 -14.079 12.618 332 3HG2 THR 50 3HG2 THR 50 -3.437 -13.871 11.994 333 H GLY 51 H GLY 51 -5.096 -14.430 10.959 334 1HA GLY 51 2HA GLY 51 -7.481 -13.635 10.994 335 2HA GLY 51 1HA GLY 51 -7.287 -13.555 12.739 336 H LYS 52 H LYS 52 -4.724 -12.646 10.552 337 HA LYS 52 HA LYS 52 -4.995 -9.874 11.488 338 2HB LYS 52 2HB LYS 52 -2.621 -9.631 10.832 339 2HG LYS 52 2HG LYS 52 -2.068 -11.943 12.355 340 2HD LYS 52 2HD LYS 52 -1.326 -9.389 12.411 341 2HE LYS 52 2HE LYS 52 -2.655 -9.236 14.978 342 1HZ LYS 52 1HZ LYS 52 -3.280 -7.011 13.964 343 2HZ LYS 52 2HZ LYS 52 -2.333 -7.461 12.637 344 3HZ LYS 52 3HZ LYS 52 -1.629 -7.320 14.169 345 H GLU 53 H GLU 53 -4.176 -8.203 9.881 346 HA GLU 53 HA GLU 53 -5.117 -8.879 7.172 347 2HB GLU 53 2HB GLU 53 -6.256 -6.850 6.982 348 2HG GLU 53 2HG GLU 53 -6.547 -7.637 9.871 349 H LEU 54 H LEU 54 -3.036 -9.248 6.392 350 HA LEU 54 HA LEU 54 -1.346 -6.843 6.204 351 2HB LEU 54 2HB LEU 54 0.121 -8.078 7.371 352 HG LEU 54 HG LEU 54 -1.586 -9.988 7.678 353 1HD1 LEU 54 1HD1 LEU 54 -1.844 -11.160 5.771 354 2HD1 LEU 54 2HD1 LEU 54 -0.430 -12.028 6.367 355 3HD1 LEU 54 3HD1 LEU 54 -0.238 -10.748 5.169 356 1HD2 LEU 54 1HD2 LEU 54 0.779 -11.479 7.862 357 2HD2 LEU 54 2HD2 LEU 54 0.004 -10.530 9.131 358 3HD2 LEU 54 3HD2 LEU 54 1.247 -9.797 8.116 359 H VAL 55 H VAL 55 0.045 -6.780 4.271 360 HA VAL 55 HA VAL 55 -0.804 -8.419 2.022 361 HB VAL 55 HB VAL 55 -0.947 -6.120 0.703 362 1HG1 VAL 55 1HG1 VAL 55 -2.795 -7.386 0.382 363 2HG1 VAL 55 2HG1 VAL 55 -2.969 -7.764 2.097 364 3HG1 VAL 55 3HG1 VAL 55 -3.513 -6.204 1.475 365 1HG2 VAL 55 1HG2 VAL 55 -2.105 -5.345 3.372 366 2HG2 VAL 55 2HG2 VAL 55 -0.504 -4.841 2.828 367 3HG2 VAL 55 3HG2 VAL 55 -1.939 -4.344 1.929 368 H LEU 56 H LEU 56 1.007 -9.060 1.079 369 HA LEU 56 HA LEU 56 3.519 -7.823 1.528 370 2HB LEU 56 2HB LEU 56 2.765 -9.833 -0.588 371 HG LEU 56 HG LEU 56 5.089 -10.689 -0.287 372 1HD1 LEU 56 1HD1 LEU 56 5.680 -8.035 -1.259 373 2HD1 LEU 56 2HD1 LEU 56 4.140 -8.624 -1.882 374 3HD1 LEU 56 3HD1 LEU 56 5.610 -9.566 -2.131 375 1HD2 LEU 56 1HD2 LEU 56 6.036 -8.093 0.709 376 2HD2 LEU 56 2HD2 LEU 56 6.605 -9.724 1.063 377 3HD2 LEU 56 3HD2 LEU 56 5.187 -9.084 1.894 378 H ALA 57 H ALA 57 4.872 -6.720 0.081 379 HA ALA 57 HA ALA 57 3.425 -5.154 -1.913 380 1HB ALA 57 1HB ALA 57 5.939 -4.121 -1.891 381 2HB ALA 57 2HB ALA 57 4.622 -3.583 -0.848 382 3HB ALA 57 3HB ALA 57 5.804 -4.747 -0.247 383 H LEU 58 H LEU 58 3.270 -6.268 -3.785 384 HA LEU 58 HA LEU 58 5.243 -8.024 -4.792 385 2HB LEU 58 2HB LEU 58 3.934 -8.110 -6.789 386 HG LEU 58 HG LEU 58 2.033 -7.707 -4.479 387 1HD1 LEU 58 1HD1 LEU 58 0.692 -9.344 -6.039 388 2HD1 LEU 58 2HD1 LEU 58 1.638 -8.559 -7.303 389 3HD1 LEU 58 3HD1 LEU 58 0.596 -7.595 -6.255 390 1HD2 LEU 58 1HD2 LEU 58 3.330 -9.496 -3.838 391 2HD2 LEU 58 2HD2 LEU 58 3.629 -10.016 -5.496 392 3HD2 LEU 58 3HD2 LEU 58 2.057 -10.304 -4.751 393 H TYR 59 H TYR 59 4.405 -4.669 -5.608 394 HA TYR 59 HA TYR 59 7.022 -4.441 -6.946 395 2HB TYR 59 2HB TYR 59 6.124 -3.076 -8.609 396 HD1 TYR 59 HD1 TYR 59 2.928 -3.253 -9.043 397 HD2 TYR 59 HD2 TYR 59 6.066 -6.047 -8.368 398 HE1 TYR 59 HE1 TYR 59 1.623 -4.988 -10.199 399 HE2 TYR 59 HE2 TYR 59 4.769 -7.789 -9.523 400 HH TYR 59 HH TYR 59 2.030 -8.079 -9.929 401 H ASP 60 H ASP 60 7.820 -2.137 -7.020 402 HA ASP 60 HA ASP 60 7.685 -1.045 -4.338 403 2HB ASP 60 2HB ASP 60 9.753 -1.322 -6.041 404 H TYR 61 H TYR 61 6.878 0.923 -3.759 405 HA TYR 61 HA TYR 61 5.795 2.681 -5.823 406 2HB TYR 61 2HB TYR 61 4.127 1.614 -3.534 407 HD1 TYR 61 HD1 TYR 61 3.894 4.167 -3.011 408 HD2 TYR 61 HD2 TYR 61 2.426 2.311 -6.548 409 HE1 TYR 61 HE1 TYR 61 2.332 6.039 -3.338 410 HE2 TYR 61 HE2 TYR 61 0.861 4.179 -6.884 411 HH TYR 61 HH TYR 61 0.014 6.306 -4.578 412 H GLN 62 H GLN 62 5.243 4.811 -5.022 413 HA GLN 62 HA GLN 62 6.277 5.480 -2.371 414 2HB GLN 62 2HB GLN 62 7.123 7.494 -4.243 415 2HG GLN 62 2HG GLN 62 9.424 6.668 -3.375 416 1HE2 GLN 62 1HE2 GLN 62 6.391 7.431 -1.722 417 2HE2 GLN 62 2HE2 GLN 62 6.983 8.837 -0.910 418 H GLU 63 H GLU 63 4.744 6.591 -1.374 419 HA GLU 63 HA GLU 63 3.001 8.340 -2.981 420 2HB GLU 63 2HB GLU 63 2.047 7.666 -0.300 421 2HG GLU 63 2HG GLU 63 -0.001 7.578 -1.258 422 H SER 64 H SER 64 2.615 10.424 -2.319 423 HA SER 64 HA SER 64 4.308 11.394 -0.109 424 2HB SER 64 2HB SER 64 3.355 13.213 -2.288 425 HG SER 64 HG SER 64 5.444 13.091 -0.434 426 H GLY 65 H GLY 65 3.023 11.638 1.616 427 1HA GLY 65 2HA GLY 65 1.408 12.584 2.955 428 2HA GLY 65 1HA GLY 65 1.005 13.645 1.614 429 H ASP 66 H ASP 66 -0.061 11.123 3.533 430 HA ASP 66 HA ASP 66 -1.517 9.379 2.120 431 2HB ASP 66 2HB ASP 66 -1.577 9.607 4.597 432 H ASN 67 H ASN 67 -2.451 9.775 0.206 433 HA ASN 67 HA ASN 67 -4.481 11.909 0.098 434 2HB ASN 67 2HB ASN 67 -3.957 12.187 -2.291 435 1HD2 ASN 67 1HD2 ASN 67 -3.570 13.625 0.005 436 2HD2 ASN 67 2HD2 ASN 67 -2.029 14.407 -0.054 437 H ALA 68 H ALA 68 -6.366 11.486 -1.097 438 HA ALA 68 HA ALA 68 -7.169 8.726 -1.080 439 1HB ALA 68 1HB ALA 68 -8.505 11.337 -1.491 440 2HB ALA 68 2HB ALA 68 -9.275 9.915 -2.196 441 3HB ALA 68 3HB ALA 68 -8.959 9.978 -0.462 442 HA PRO 69 HA PRO 69 -6.209 7.731 -5.263 443 2HB PRO 69 2HB PRO 69 -6.461 5.535 -4.637 444 2HG PRO 69 2HG PRO 69 -8.044 4.914 -3.051 445 2HD PRO 69 2HD PRO 69 -7.012 6.641 -1.926 446 H SER 70 H SER 70 -7.153 9.818 -5.977 447 HA SER 70 HA SER 70 -9.900 9.715 -6.932 448 2HB SER 70 2HB SER 70 -9.388 12.085 -7.681 449 HG SER 70 HG SER 70 -10.051 11.242 -5.397 450 H TYR 71 H TYR 71 -6.993 8.671 -8.052 451 HA TYR 71 HA TYR 71 -7.892 8.879 -10.843 452 2HB TYR 71 2HB TYR 71 -6.136 10.451 -10.793 453 HD1 TYR 71 HD1 TYR 71 -4.626 11.614 -9.501 454 HD2 TYR 71 HD2 TYR 71 -4.697 7.369 -9.232 455 HE1 TYR 71 HE1 TYR 71 -2.901 11.703 -7.750 456 HE2 TYR 71 HE2 TYR 71 -2.972 7.445 -7.480 457 HH TYR 71 HH TYR 71 -2.093 10.303 -5.889 458 H SER 72 H SER 72 -6.585 7.282 -12.245 459 HA SER 72 HA SER 72 -7.004 4.676 -11.169 460 2HB SER 72 2HB SER 72 -7.427 4.908 -13.486 461 HG SER 72 HG SER 72 -6.348 6.336 -14.564 462 HA PRO 73 HA PRO 73 -3.063 3.695 -9.506 463 2HB PRO 73 2HB PRO 73 -3.982 1.701 -8.826 464 2HG PRO 73 2HG PRO 73 -5.529 0.579 -10.151 465 2HD PRO 73 2HD PRO 73 -6.460 2.688 -10.153 466 HA PRO 74 HA PRO 74 -0.090 3.971 -12.759 467 2HB PRO 74 2HB PRO 74 1.319 4.879 -11.188 468 2HG PRO 74 2HG PRO 74 1.265 4.166 -8.975 469 2HD PRO 74 2HD PRO 74 -0.979 4.560 -9.320 470 HA PRO 75 HA PRO 75 0.472 -0.099 -14.361 471 2HB PRO 75 2HB PRO 75 0.838 0.908 -16.393 472 2HG PRO 75 2HG PRO 75 1.943 2.949 -16.538 473 2HD PRO 75 2HD PRO 75 0.381 3.458 -14.922 474 HA PRO 76 HA PRO 76 3.707 -1.675 -11.719 475 2HB PRO 76 2HB PRO 76 2.235 -3.354 -11.177 476 2HG PRO 76 2HG PRO 76 0.640 -4.090 -12.702 477 2HD PRO 76 2HD PRO 76 0.279 -1.816 -12.816 478 HA PRO 77 HA PRO 77 7.147 -2.599 -14.294 479 2HB PRO 77 2HB PRO 77 8.397 -2.901 -12.391 480 2HG PRO 77 2HG PRO 77 7.502 -3.958 -10.523 481 2HD PRO 77 2HD PRO 77 5.838 -2.422 -10.945 Start of MODEL 4 1 1H GLY 1 1H GLY 1 9.689 21.863 -2.132 2 1HA GLY 1 2HA GLY 1 8.311 20.386 -3.574 3 2HA GLY 1 1HA GLY 1 9.750 19.395 -3.758 4 H ALA 2 H ALA 2 7.178 20.359 -1.597 5 HA ALA 2 HA ALA 2 7.495 17.861 -0.142 6 1HB ALA 2 1HB ALA 2 8.845 19.727 1.000 7 2HB ALA 2 2HB ALA 2 7.274 20.376 1.474 8 3HB ALA 2 3HB ALA 2 7.754 18.759 1.991 9 H MET 3 H MET 3 5.532 17.033 -0.513 10 HA MET 3 HA MET 3 3.177 18.737 -0.488 11 2HB MET 3 2HB MET 3 3.243 15.746 -0.875 12 2HG MET 3 2HG MET 3 1.385 16.533 -2.556 13 1HE MET 3 1HE MET 3 -1.328 17.109 0.363 14 2HE MET 3 2HE MET 3 -0.947 17.499 -1.313 15 3HE MET 3 3HE MET 3 -1.769 15.987 -0.924 16 H GLY 4 H GLY 4 3.755 15.519 0.941 17 1HA GLY 4 2HA GLY 4 2.452 16.509 3.402 18 2HA GLY 4 1HA GLY 4 2.117 14.918 2.734 19 HA PRO 5 HA PRO 5 5.983 15.106 5.610 20 2HB PRO 5 2HB PRO 5 5.185 16.337 7.377 21 2HG PRO 5 2HG PRO 5 2.902 16.524 7.775 22 2HD PRO 5 2HD PRO 5 2.959 17.061 5.535 23 H ARG 6 H ARG 6 3.039 13.214 5.544 24 HA ARG 6 HA ARG 6 4.504 10.826 6.414 25 2HB ARG 6 2HB ARG 6 2.296 9.779 6.648 26 2HG ARG 6 2HG ARG 6 1.308 11.206 8.399 27 2HD ARG 6 2HD ARG 6 3.610 9.841 8.521 28 HE ARG 6 HE ARG 6 5.283 11.423 8.369 29 1HH1 ARG 6 2HH1 ARG 6 2.849 12.462 10.631 30 2HH1 ARG 6 1HH1 ARG 6 3.803 13.766 11.257 31 1HH2 ARG 6 2HH2 ARG 6 6.548 13.136 9.186 32 2HH2 ARG 6 1HH2 ARG 6 5.905 14.149 10.435 33 H GLU 7 H GLU 7 5.589 10.070 4.668 34 HA GLU 7 HA GLU 7 4.072 9.675 2.178 35 2HB GLU 7 2HB GLU 7 5.890 10.777 1.391 36 2HG GLU 7 2HG GLU 7 7.692 9.627 3.504 37 H VAL 8 H VAL 8 3.339 7.692 1.856 38 HA VAL 8 HA VAL 8 4.631 5.437 3.204 39 HB VAL 8 HB VAL 8 2.064 5.938 3.206 40 1HG1 VAL 8 1HG1 VAL 8 2.320 4.367 0.646 41 2HG1 VAL 8 2HG1 VAL 8 0.825 4.874 1.432 42 3HG1 VAL 8 3HG1 VAL 8 1.910 6.078 0.739 43 1HG2 VAL 8 1HG2 VAL 8 1.636 3.674 3.689 44 2HG2 VAL 8 2HG2 VAL 8 2.898 3.116 2.592 45 3HG2 VAL 8 3HG2 VAL 8 3.334 3.921 4.100 46 H THR 9 H THR 9 5.931 4.105 2.141 47 HA THR 9 HA THR 9 5.655 3.894 -0.785 48 HB THR 9 HB THR 9 8.119 3.601 -0.925 49 HG1 THR 9 HG1 THR 9 7.924 4.219 1.839 50 1HG2 THR 9 1HG2 THR 9 6.693 6.052 -0.317 51 2HG2 THR 9 2HG2 THR 9 7.943 5.747 -1.524 52 3HG2 THR 9 3HG2 THR 9 8.395 6.156 0.131 53 H MET 10 H MET 10 6.129 1.878 -1.712 54 HA MET 10 HA MET 10 6.092 -0.352 0.207 55 2HB MET 10 2HB MET 10 5.138 -1.678 -1.676 56 2HG MET 10 2HG MET 10 3.618 -0.589 -0.080 57 1HE MET 10 1HE MET 10 3.890 2.941 0.709 58 2HE MET 10 2HE MET 10 2.545 1.860 1.075 59 3HE MET 10 3HE MET 10 4.198 1.243 1.076 60 H LYS 11 H LYS 11 7.607 -1.932 0.122 61 HA LYS 11 HA LYS 11 9.713 -1.644 -1.920 62 2HB LYS 11 2HB LYS 11 11.248 -2.635 -0.207 63 2HG LYS 11 2HG LYS 11 10.648 -0.506 1.470 64 2HD LYS 11 2HD LYS 11 12.502 -1.090 -0.745 65 2HE LYS 11 2HE LYS 11 13.239 1.474 -0.082 66 1HZ LYS 11 1HZ LYS 11 11.694 0.601 -2.464 67 2HZ LYS 11 2HZ LYS 11 13.372 0.494 -2.283 68 3HZ LYS 11 3HZ LYS 11 12.625 2.010 -2.357 69 H LYS 12 H LYS 12 9.723 -3.252 -3.332 70 HA LYS 12 HA LYS 12 8.228 -5.490 -3.428 71 2HB LYS 12 2HB LYS 12 11.103 -5.668 -4.280 72 2HG LYS 12 2HG LYS 12 8.576 -6.907 -5.082 73 2HD LYS 12 2HD LYS 12 9.139 -5.263 -6.961 74 2HE LYS 12 2HE LYS 12 10.871 -6.510 -8.514 75 1HZ LYS 12 1HZ LYS 12 11.465 -4.577 -6.360 76 2HZ LYS 12 2HZ LYS 12 11.273 -4.285 -8.015 77 3HZ LYS 12 3HZ LYS 12 12.659 -5.073 -7.450 78 H GLY 13 H GLY 13 7.878 -6.991 -1.928 79 1HA GLY 13 2HA GLY 13 8.524 -8.970 -0.801 80 2HA GLY 13 1HA GLY 13 10.185 -8.395 -0.798 81 H ASP 14 H ASP 14 7.515 -6.368 0.177 82 HA ASP 14 HA ASP 14 8.462 -6.557 2.961 83 2HB ASP 14 2HB ASP 14 7.099 -4.109 1.895 84 H ILE 15 H ILE 15 6.843 -6.089 4.617 85 HA ILE 15 HA ILE 15 4.161 -6.965 3.767 86 HB ILE 15 HB ILE 15 5.508 -7.352 6.444 87 2HG1 ILE 15 2HG1 ILE 15 6.257 -8.771 4.448 88 1HG2 ILE 15 1HG2 ILE 15 2.719 -7.563 5.571 89 2HG2 ILE 15 2HG2 ILE 15 3.326 -8.979 6.429 90 3HG2 ILE 15 3HG2 ILE 15 3.394 -7.391 7.192 91 1HD1 ILE 15 1HD1 ILE 15 6.453 -9.467 6.878 92 2HD1 ILE 15 2HD1 ILE 15 5.005 -10.435 6.602 93 3HD1 ILE 15 3HD1 ILE 15 6.468 -10.752 5.671 94 H LEU 16 H LEU 16 3.088 -5.067 3.506 95 HA LEU 16 HA LEU 16 3.218 -3.071 5.645 96 2HB LEU 16 2HB LEU 16 2.616 -1.490 4.127 97 HG LEU 16 HG LEU 16 4.429 -3.230 2.989 98 1HD1 LEU 16 1HD1 LEU 16 2.002 -3.055 1.315 99 2HD1 LEU 16 2HD1 LEU 16 3.247 -4.301 1.389 100 3HD1 LEU 16 3HD1 LEU 16 3.546 -2.811 0.496 101 1HD2 LEU 16 1HD2 LEU 16 4.878 -0.928 3.112 102 2HD2 LEU 16 2HD2 LEU 16 3.424 -0.509 2.206 103 3HD2 LEU 16 3HD2 LEU 16 4.781 -1.283 1.386 104 H THR 17 H THR 17 1.674 -2.958 7.125 105 HA THR 17 HA THR 17 -0.373 -4.676 7.533 106 HB THR 17 HB THR 17 -0.365 -1.727 8.202 107 HG1 THR 17 HG1 THR 17 1.288 -2.725 9.272 108 1HG2 THR 17 1HG2 THR 17 -2.093 -2.164 9.799 109 2HG2 THR 17 2HG2 THR 17 -2.039 -3.896 9.468 110 3HG2 THR 17 3HG2 THR 17 -2.643 -2.781 8.241 111 H LEU 18 H LEU 18 -2.234 -5.173 6.577 112 HA LEU 18 HA LEU 18 -3.094 -3.869 4.214 113 2HB LEU 18 2HB LEU 18 -4.738 -5.745 5.893 114 HG LEU 18 HG LEU 18 -5.163 -6.657 3.446 115 1HD1 LEU 18 1HD1 LEU 18 -7.267 -5.626 3.508 116 2HD1 LEU 18 2HD1 LEU 18 -6.644 -4.205 4.347 117 3HD1 LEU 18 3HD1 LEU 18 -6.774 -5.745 5.198 118 1HD2 LEU 18 1HD2 LEU 18 -4.898 -3.707 2.925 119 2HD2 LEU 18 2HD2 LEU 18 -5.232 -4.997 1.770 120 3HD2 LEU 18 3HD2 LEU 18 -3.636 -4.868 2.510 121 H LEU 19 H LEU 19 -3.178 -1.683 5.268 122 HA LEU 19 HA LEU 19 -5.102 -0.945 7.143 123 2HB LEU 19 2HB LEU 19 -4.961 1.276 5.625 124 HG LEU 19 HG LEU 19 -4.138 1.365 7.868 125 1HD1 LEU 19 1HD1 LEU 19 -1.783 0.466 8.303 126 2HD1 LEU 19 2HD1 LEU 19 -2.027 -0.509 6.855 127 3HD1 LEU 19 3HD1 LEU 19 -3.107 -0.697 8.236 128 1HD2 LEU 19 1HD2 LEU 19 -1.864 2.038 6.006 129 2HD2 LEU 19 2HD2 LEU 19 -2.183 2.743 7.591 130 3HD2 LEU 19 3HD2 LEU 19 -3.293 3.042 6.252 131 H ASN 20 H ASN 20 -6.818 0.862 6.309 132 HA ASN 20 HA ASN 20 -9.044 -0.428 5.453 133 2HB ASN 20 2HB ASN 20 -9.143 2.181 4.292 134 1HD2 ASN 20 1HD2 ASN 20 -11.296 1.548 4.280 135 2HD2 ASN 20 2HD2 ASN 20 -12.260 1.542 5.714 136 H SER 21 H SER 21 -9.099 -1.780 3.758 137 HA SER 21 HA SER 21 -7.896 -0.985 1.222 138 2HB SER 21 2HB SER 21 -7.355 -3.214 1.739 139 HG SER 21 HG SER 21 -10.059 -3.882 2.188 140 H THR 22 H THR 22 -10.532 -0.002 2.510 141 HA THR 22 HA THR 22 -12.829 -0.697 1.362 142 HB THR 22 HB THR 22 -12.877 1.262 2.673 143 HG1 THR 22 HG1 THR 22 -13.304 2.474 0.175 144 1HG2 THR 22 1HG2 THR 22 -11.461 3.012 0.752 145 2HG2 THR 22 2HG2 THR 22 -10.464 1.876 1.662 146 3HG2 THR 22 3HG2 THR 22 -11.476 3.041 2.516 147 H ASN 23 H ASN 23 -10.457 1.365 -0.326 148 HA ASN 23 HA ASN 23 -11.839 1.427 -2.780 149 2HB ASN 23 2HB ASN 23 -9.194 1.764 -3.471 150 1HD2 ASN 23 1HD2 ASN 23 -9.666 3.271 -4.893 151 2HD2 ASN 23 2HD2 ASN 23 -10.541 4.727 -4.580 152 H LYS 24 H LYS 24 -11.363 0.365 -4.762 153 HA LYS 24 HA LYS 24 -10.565 -2.412 -4.374 154 2HB LYS 24 2HB LYS 24 -11.283 -2.126 -7.032 155 2HG LYS 24 2HG LYS 24 -13.382 -2.594 -4.956 156 2HD LYS 24 2HD LYS 24 -13.278 -2.893 -7.710 157 2HE LYS 24 2HE LYS 24 -13.064 -5.589 -6.371 158 1HZ LYS 24 1HZ LYS 24 -14.623 -5.772 -8.108 159 2HZ LYS 24 2HZ LYS 24 -13.167 -6.350 -8.744 160 3HZ LYS 24 3HZ LYS 24 -13.712 -4.801 -9.153 161 H ASP 25 H ASP 25 -9.924 0.104 -6.824 162 HA ASP 25 HA ASP 25 -7.606 -1.235 -7.812 163 2HB ASP 25 2HB ASP 25 -7.332 0.652 -9.264 164 H TRP 26 H TRP 26 -8.140 0.513 -5.035 165 HA TRP 26 HA TRP 26 -5.262 0.933 -4.684 166 2HB TRP 26 2HB TRP 26 -5.788 3.101 -3.494 167 HD1 TRP 26 HD1 TRP 26 -7.591 3.131 -6.906 168 HE1 TRP 26 HE1 TRP 26 -6.106 4.394 -8.586 169 HE3 TRP 26 HE3 TRP 26 -3.475 3.865 -3.962 170 HZ2 TRP 26 HZ2 TRP 26 -3.530 5.548 -8.656 171 HZ3 TRP 26 HZ3 TRP 26 -1.544 5.057 -4.912 172 HH2 TRP 26 HH2 TRP 26 -1.572 5.879 -7.210 173 H TRP 27 H TRP 27 -4.602 -0.060 -2.903 174 HA TRP 27 HA TRP 27 -6.556 -0.516 -0.747 175 2HB TRP 27 2HB TRP 27 -4.599 -2.320 -0.223 176 HD1 TRP 27 HD1 TRP 27 -7.897 -1.663 -1.867 177 HE1 TRP 27 HE1 TRP 27 -9.327 -3.803 -1.840 178 HE3 TRP 27 HE3 TRP 27 -4.318 -5.014 -0.417 179 HZ2 TRP 27 HZ2 TRP 27 -8.984 -6.548 -1.277 180 HZ3 TRP 27 HZ3 TRP 27 -4.952 -7.378 -0.157 181 HH2 TRP 27 HH2 TRP 27 -7.237 -8.127 -0.578 182 H LYS 28 H LYS 28 -6.238 0.732 0.963 183 HA LYS 28 HA LYS 28 -3.935 2.276 1.414 184 2HB LYS 28 2HB LYS 28 -5.762 1.520 3.663 185 2HG LYS 28 2HG LYS 28 -4.930 4.268 2.802 186 2HD LYS 28 2HD LYS 28 -5.579 3.175 5.534 187 2HE LYS 28 2HE LYS 28 -5.148 5.900 4.365 188 1HZ LYS 28 1HZ LYS 28 -6.619 5.293 6.872 189 2HZ LYS 28 2HZ LYS 28 -7.269 6.022 5.492 190 3HZ LYS 28 3HZ LYS 28 -6.090 6.828 6.397 191 H VAL 29 H VAL 29 -2.087 1.913 2.493 192 HA VAL 29 HA VAL 29 -1.874 -0.385 4.282 193 HB VAL 29 HB VAL 29 0.090 -1.281 3.238 194 1HG1 VAL 29 1HG1 VAL 29 -2.327 -1.700 2.302 195 2HG1 VAL 29 2HG1 VAL 29 -1.678 -0.900 0.869 196 3HG1 VAL 29 3HG1 VAL 29 -0.914 -2.366 1.483 197 1HG2 VAL 29 1HG2 VAL 29 0.871 -0.360 1.036 198 2HG2 VAL 29 2HG2 VAL 29 -0.158 1.041 1.333 199 3HG2 VAL 29 3HG2 VAL 29 1.175 0.678 2.428 200 H GLU 30 H GLU 30 -0.430 -0.108 5.925 201 HA GLU 30 HA GLU 30 0.709 2.559 6.195 202 2HB GLU 30 2HB GLU 30 0.194 0.293 8.095 203 2HG GLU 30 2HG GLU 30 1.849 2.737 8.670 204 H VAL 31 H VAL 31 2.906 2.801 7.094 205 HA VAL 31 HA VAL 31 4.742 0.625 6.409 206 HB VAL 31 HB VAL 31 4.865 3.414 5.282 207 1HG1 VAL 31 1HG1 VAL 31 7.073 3.356 5.641 208 2HG1 VAL 31 2HG1 VAL 31 7.056 1.637 6.037 209 3HG1 VAL 31 3HG1 VAL 31 7.110 2.153 4.352 210 1HG2 VAL 31 1HG2 VAL 31 3.701 1.335 4.180 211 2HG2 VAL 31 2HG2 VAL 31 4.675 2.439 3.210 212 3HG2 VAL 31 3HG2 VAL 31 5.356 0.904 3.750 213 H ASN 32 H ASN 32 5.042 0.395 8.662 214 HA ASN 32 HA ASN 32 6.172 0.699 10.613 215 2HB ASN 32 2HB ASN 32 8.139 2.200 10.612 216 1HD2 ASN 32 1HD2 ASN 32 6.789 0.393 7.911 217 2HD2 ASN 32 2HD2 ASN 32 8.187 -0.584 7.630 218 H ASP 33 H ASP 33 6.154 4.044 9.398 219 HA ASP 33 HA ASP 33 4.274 4.761 11.535 220 2HB ASP 33 2HB ASP 33 6.121 6.909 11.202 221 H ARG 34 H ARG 34 4.915 4.737 8.337 222 HA ARG 34 HA ARG 34 3.340 7.182 7.858 223 2HB ARG 34 2HB ARG 34 4.718 7.834 6.198 224 2HG ARG 34 2HG ARG 34 6.463 5.821 7.578 225 2HD ARG 34 2HD ARG 34 7.181 7.762 5.387 226 HE ARG 34 HE ARG 34 8.814 7.362 7.459 227 1HH1 ARG 34 2HH1 ARG 34 8.876 6.099 4.215 228 2HH1 ARG 34 1HH1 ARG 34 10.603 5.960 4.164 229 1HH2 ARG 34 2HH2 ARG 34 11.088 7.183 7.403 230 2HH2 ARG 34 1HH2 ARG 34 11.860 6.576 5.977 231 H GLN 35 H GLN 35 1.432 6.890 6.912 232 HA GLN 35 HA GLN 35 0.971 4.383 5.434 233 2HB GLN 35 2HB GLN 35 -0.811 3.884 6.693 234 2HG GLN 35 2HG GLN 35 -0.340 6.238 8.473 235 1HE2 GLN 35 1HE2 GLN 35 0.484 3.847 10.275 236 2HE2 GLN 35 2HE2 GLN 35 -1.038 3.262 10.847 237 H GLY 36 H GLY 36 -0.867 4.517 3.883 238 1HA GLY 36 2HA GLY 36 -2.022 6.893 3.007 239 2HA GLY 36 1HA GLY 36 -0.505 6.718 2.136 240 H PHE 37 H PHE 37 -2.688 6.794 0.626 241 HA PHE 37 HA PHE 37 -3.763 4.158 0.161 242 2HB PHE 37 2HB PHE 37 -4.748 5.388 -1.904 243 HD1 PHE 37 HD1 PHE 37 -5.131 7.732 0.852 244 HD2 PHE 37 HD2 PHE 37 -6.553 4.111 -0.877 245 HE1 PHE 37 HE1 PHE 37 -7.148 7.859 2.254 246 HE2 PHE 37 HE2 PHE 37 -8.574 4.234 0.522 247 HZ PHE 37 HZ PHE 37 -8.874 6.110 2.090 248 H VAL 38 H VAL 38 -3.030 2.673 -1.221 249 HA VAL 38 HA VAL 38 -1.134 3.483 -3.313 250 HB VAL 38 HB VAL 38 0.126 1.326 -2.841 251 1HG1 VAL 38 1HG1 VAL 38 1.500 2.982 -2.217 252 2HG1 VAL 38 2HG1 VAL 38 0.214 3.868 -1.396 253 3HG1 VAL 38 3HG1 VAL 38 1.037 2.543 -0.573 254 1HG2 VAL 38 1HG2 VAL 38 -1.324 1.562 -0.206 255 2HG2 VAL 38 2HG2 VAL 38 -1.558 0.288 -1.403 256 3HG2 VAL 38 3HG2 VAL 38 -0.012 0.441 -0.569 257 HA PRO 39 HA PRO 39 -3.463 0.895 -5.987 258 2HB PRO 39 2HB PRO 39 -2.162 1.699 -7.703 259 2HG PRO 39 2HG PRO 39 0.104 2.118 -7.395 260 2HD PRO 39 2HD PRO 39 -0.757 3.236 -5.572 261 H ALA 40 H ALA 40 -4.274 -0.998 -5.346 262 HA ALA 40 HA ALA 40 -2.968 -2.983 -3.919 263 1HB ALA 40 1HB ALA 40 -4.903 -4.424 -5.102 264 2HB ALA 40 2HB ALA 40 -5.194 -3.320 -3.757 265 3HB ALA 40 3HB ALA 40 -5.505 -2.795 -5.411 266 H ALA 41 H ALA 41 -2.751 -2.242 -7.243 267 HA ALA 41 HA ALA 41 -2.138 -4.803 -8.280 268 1HB ALA 41 1HB ALA 41 -2.119 -3.714 -10.216 269 2HB ALA 41 2HB ALA 41 -2.455 -2.236 -9.314 270 3HB ALA 41 3HB ALA 41 -0.790 -2.679 -9.691 271 H TYR 42 H TYR 42 -0.335 -2.534 -6.420 272 HA TYR 42 HA TYR 42 2.218 -3.773 -7.115 273 2HB TYR 42 2HB TYR 42 3.108 -1.999 -5.496 274 HD1 TYR 42 HD1 TYR 42 4.451 -0.536 -6.685 275 HD2 TYR 42 HD2 TYR 42 0.620 -1.535 -8.244 276 HE1 TYR 42 HE1 TYR 42 4.956 0.739 -8.726 277 HE2 TYR 42 HE2 TYR 42 1.115 -0.263 -10.290 278 HH TYR 42 HH TYR 42 2.564 1.056 -11.333 279 H VAL 43 H VAL 43 -0.264 -4.187 -4.909 280 HA VAL 43 HA VAL 43 1.528 -5.646 -3.080 281 HB VAL 43 HB VAL 43 -0.113 -5.161 -1.255 282 1HG1 VAL 43 1HG1 VAL 43 1.490 -3.009 -2.580 283 2HG1 VAL 43 2HG1 VAL 43 0.572 -2.664 -1.113 284 3HG1 VAL 43 3HG1 VAL 43 1.828 -3.904 -1.097 285 1HG2 VAL 43 1HG2 VAL 43 -1.878 -3.717 -1.492 286 2HG2 VAL 43 2HG2 VAL 43 -1.149 -2.873 -2.859 287 3HG2 VAL 43 3HG2 VAL 43 -1.867 -4.467 -3.088 288 H LYS 44 H LYS 44 0.107 -7.199 -1.667 289 HA LYS 44 HA LYS 44 -2.208 -8.303 -2.952 290 2HB LYS 44 2HB LYS 44 -0.069 -10.339 -2.771 291 2HG LYS 44 2HG LYS 44 -2.385 -9.758 -4.555 292 2HD LYS 44 2HD LYS 44 -0.592 -10.157 -6.129 293 2HE LYS 44 2HE LYS 44 0.679 -11.518 -4.203 294 1HZ LYS 44 1HZ LYS 44 -0.204 -13.558 -4.073 295 2HZ LYS 44 2HZ LYS 44 0.682 -13.866 -5.480 296 3HZ LYS 44 3HZ LYS 44 -0.958 -13.464 -5.584 297 H LYS 45 H LYS 45 -3.303 -9.790 -1.656 298 HA LYS 45 HA LYS 45 -2.776 -9.587 1.137 299 2HB LYS 45 2HB LYS 45 -4.624 -11.657 0.764 300 2HG LYS 45 2HG LYS 45 -5.763 -8.956 0.765 301 2HD LYS 45 2HD LYS 45 -6.381 -10.142 3.135 302 2HE LYS 45 2HE LYS 45 -7.630 -9.680 0.619 303 1HZ LYS 45 1HZ LYS 45 -7.984 -12.373 1.696 304 2HZ LYS 45 2HZ LYS 45 -8.082 -11.829 0.098 305 3HZ LYS 45 3HZ LYS 45 -9.369 -11.562 1.163 306 H LEU 46 H LEU 46 -2.240 -11.233 2.608 307 HA LEU 46 HA LEU 46 -0.951 -13.596 1.408 308 2HB LEU 46 2HB LEU 46 0.758 -13.498 3.107 309 HG LEU 46 HG LEU 46 0.500 -10.719 1.960 310 1HD1 LEU 46 1HD1 LEU 46 2.492 -10.254 2.836 311 2HD1 LEU 46 2HD1 LEU 46 3.159 -11.810 2.344 312 3HD1 LEU 46 3HD1 LEU 46 2.265 -11.673 3.858 313 1HD2 LEU 46 1HD2 LEU 46 2.376 -12.075 0.491 314 2HD2 LEU 46 2HD2 LEU 46 0.713 -11.761 -0.006 315 3HD2 LEU 46 3HD2 LEU 46 1.131 -13.298 0.750 316 H ASP 47 H ASP 47 -0.551 -15.323 3.167 317 HA ASP 47 HA ASP 47 -3.102 -15.729 4.544 318 2HB ASP 47 2HB ASP 47 -1.001 -17.520 3.441 319 H SER 48 H SER 48 -3.167 -15.079 6.588 320 HA SER 48 HA SER 48 -0.742 -15.004 8.191 321 2HB SER 48 2HB SER 48 -2.420 -13.118 8.167 322 HG SER 48 HG SER 48 -3.941 -14.789 9.867 323 H GLY 49 H GLY 49 -4.041 -16.312 8.587 324 1HA GLY 49 2HA GLY 49 -4.244 -18.690 9.176 325 2HA GLY 49 1HA GLY 49 -2.856 -18.464 10.229 326 H THR 50 H THR 50 -3.376 -16.314 11.690 327 HA THR 50 HA THR 50 -5.410 -17.225 13.475 328 HB THR 50 HB THR 50 -3.389 -16.165 14.343 329 HG1 THR 50 HG1 THR 50 -5.904 -14.993 14.843 330 1HG2 THR 50 1HG2 THR 50 -4.395 -13.538 13.275 331 2HG2 THR 50 2HG2 THR 50 -3.232 -14.527 12.393 332 3HG2 THR 50 3HG2 THR 50 -2.825 -13.903 13.989 333 H GLY 51 H GLY 51 -5.031 -14.241 11.553 334 1HA GLY 51 2HA GLY 51 -7.354 -13.888 10.368 335 2HA GLY 51 1HA GLY 51 -7.847 -13.604 12.031 336 H LYS 52 H LYS 52 -4.743 -12.681 10.658 337 HA LYS 52 HA LYS 52 -5.244 -9.928 11.426 338 2HB LYS 52 2HB LYS 52 -2.850 -9.604 10.746 339 2HG LYS 52 2HG LYS 52 -2.101 -11.641 12.418 340 2HD LYS 52 2HD LYS 52 -1.997 -8.987 12.491 341 2HE LYS 52 2HE LYS 52 -4.173 -9.738 14.437 342 1HZ LYS 52 1HZ LYS 52 -3.976 -7.575 15.357 343 2HZ LYS 52 2HZ LYS 52 -2.787 -7.123 14.242 344 3HZ LYS 52 3HZ LYS 52 -2.437 -8.277 15.428 345 H GLU 53 H GLU 53 -3.902 -8.407 9.688 346 HA GLU 53 HA GLU 53 -4.980 -8.972 7.020 347 2HB GLU 53 2HB GLU 53 -6.074 -6.918 6.809 348 2HG GLU 53 2HG GLU 53 -7.273 -6.517 9.085 349 H LEU 54 H LEU 54 -2.968 -9.316 6.152 350 HA LEU 54 HA LEU 54 -1.162 -6.987 6.135 351 2HB LEU 54 2HB LEU 54 0.229 -8.393 7.206 352 HG LEU 54 HG LEU 54 -1.460 -10.624 6.201 353 1HD1 LEU 54 1HD1 LEU 54 1.152 -11.345 7.407 354 2HD1 LEU 54 2HD1 LEU 54 1.121 -10.934 5.693 355 3HD1 LEU 54 3HD1 LEU 54 0.123 -12.254 6.302 356 1HD2 LEU 54 1HD2 LEU 54 -0.344 -9.674 8.811 357 2HD2 LEU 54 2HD2 LEU 54 -0.935 -11.326 8.634 358 3HD2 LEU 54 3HD2 LEU 54 -2.022 -9.965 8.352 359 H VAL 55 H VAL 55 0.308 -6.971 4.201 360 HA VAL 55 HA VAL 55 -0.675 -8.340 1.842 361 HB VAL 55 HB VAL 55 -0.716 -5.994 0.661 362 1HG1 VAL 55 1HG1 VAL 55 -3.034 -6.895 2.365 363 2HG1 VAL 55 2HG1 VAL 55 -3.115 -5.943 0.882 364 3HG1 VAL 55 3HG1 VAL 55 -2.577 -7.621 0.826 365 1HG2 VAL 55 1HG2 VAL 55 -1.363 -5.313 3.525 366 2HG2 VAL 55 2HG2 VAL 55 -0.074 -4.637 2.529 367 3HG2 VAL 55 3HG2 VAL 55 -1.759 -4.284 2.149 368 H LEU 56 H LEU 56 1.092 -9.023 0.845 369 HA LEU 56 HA LEU 56 3.670 -7.918 1.354 370 2HB LEU 56 2HB LEU 56 2.821 -9.874 -0.778 371 HG LEU 56 HG LEU 56 5.116 -10.813 -0.527 372 1HD1 LEU 56 1HD1 LEU 56 4.216 -8.703 -2.087 373 2HD1 LEU 56 2HD1 LEU 56 5.655 -9.684 -2.364 374 3HD1 LEU 56 3HD1 LEU 56 5.781 -8.165 -1.477 375 1HD2 LEU 56 1HD2 LEU 56 6.685 -9.923 0.809 376 2HD2 LEU 56 2HD2 LEU 56 5.307 -9.237 1.670 377 3HD2 LEU 56 3HD2 LEU 56 6.176 -8.267 0.480 378 H ALA 57 H ALA 57 5.056 -6.831 -0.060 379 HA ALA 57 HA ALA 57 3.675 -5.195 -2.045 380 1HB ALA 57 1HB ALA 57 5.970 -4.844 -0.296 381 2HB ALA 57 2HB ALA 57 6.283 -4.309 -1.948 382 3HB ALA 57 3HB ALA 57 4.923 -3.640 -1.046 383 H LEU 58 H LEU 58 3.541 -6.143 -3.988 384 HA LEU 58 HA LEU 58 5.526 -7.948 -4.983 385 2HB LEU 58 2HB LEU 58 4.154 -8.203 -6.867 386 HG LEU 58 HG LEU 58 2.344 -7.548 -4.552 387 1HD1 LEU 58 1HD1 LEU 58 1.353 -9.154 -6.831 388 2HD1 LEU 58 2HD1 LEU 58 1.443 -7.407 -7.056 389 3HD1 LEU 58 3HD1 LEU 58 0.487 -8.077 -5.735 390 1HD2 LEU 58 1HD2 LEU 58 2.071 -10.107 -4.748 391 2HD2 LEU 58 2HD2 LEU 58 3.542 -9.464 -4.020 392 3HD2 LEU 58 3HD2 LEU 58 3.561 -10.037 -5.688 393 H TYR 59 H TYR 59 4.597 -4.605 -5.704 394 HA TYR 59 HA TYR 59 7.139 -4.309 -7.165 395 2HB TYR 59 2HB TYR 59 6.142 -2.926 -8.760 396 HD1 TYR 59 HD1 TYR 59 6.190 -5.880 -8.645 397 HD2 TYR 59 HD2 TYR 59 2.910 -3.192 -9.000 398 HE1 TYR 59 HE1 TYR 59 4.886 -7.629 -9.779 399 HE2 TYR 59 HE2 TYR 59 1.598 -4.935 -10.134 400 HH TYR 59 HH TYR 59 2.388 -8.145 -10.104 401 H ASP 60 H ASP 60 7.943 -2.029 -7.202 402 HA ASP 60 HA ASP 60 7.856 -0.963 -4.508 403 2HB ASP 60 2HB ASP 60 9.607 -0.600 -6.892 404 H TYR 61 H TYR 61 6.795 0.808 -3.873 405 HA TYR 61 HA TYR 61 5.771 2.655 -5.915 406 2HB TYR 61 2HB TYR 61 4.161 1.543 -3.605 407 HD1 TYR 61 HD1 TYR 61 2.514 2.374 -6.662 408 HD2 TYR 61 HD2 TYR 61 3.793 3.992 -2.941 409 HE1 TYR 61 HE1 TYR 61 0.926 4.232 -6.932 410 HE2 TYR 61 HE2 TYR 61 2.208 5.855 -3.200 411 HH TYR 61 HH TYR 61 1.054 6.976 -5.535 412 H GLN 62 H GLN 62 5.082 4.750 -5.002 413 HA GLN 62 HA GLN 62 6.170 5.420 -2.389 414 2HB GLN 62 2HB GLN 62 7.279 6.408 -4.986 415 2HG GLN 62 2HG GLN 62 6.508 8.417 -3.712 416 1HE2 GLN 62 1HE2 GLN 62 5.743 8.081 -1.613 417 2HE2 GLN 62 2HE2 GLN 62 6.778 8.211 -0.236 418 H GLU 63 H GLU 63 4.713 6.626 -1.385 419 HA GLU 63 HA GLU 63 2.946 8.335 -3.010 420 2HB GLU 63 2HB GLU 63 1.961 7.761 -0.338 421 2HG GLU 63 2HG GLU 63 0.032 6.814 -1.687 422 H SER 64 H SER 64 2.399 10.392 -2.217 423 HA SER 64 HA SER 64 4.198 11.405 -0.113 424 2HB SER 64 2HB SER 64 4.877 12.285 -2.272 425 HG SER 64 HG SER 64 2.222 13.264 -2.498 426 H GLY 65 H GLY 65 2.873 11.448 1.632 427 1HA GLY 65 2HA GLY 65 1.281 12.334 3.040 428 2HA GLY 65 1HA GLY 65 0.901 13.499 1.782 429 H ASP 66 H ASP 66 -0.335 11.041 3.581 430 HA ASP 66 HA ASP 66 -1.782 9.327 2.122 431 2HB ASP 66 2HB ASP 66 -2.039 9.450 4.526 432 H ASN 67 H ASN 67 -2.586 9.723 0.149 433 HA ASN 67 HA ASN 67 -4.524 11.927 -0.112 434 2HB ASN 67 2HB ASN 67 -3.850 12.145 -2.469 435 1HD2 ASN 67 1HD2 ASN 67 -3.509 13.535 -0.087 436 2HD2 ASN 67 2HD2 ASN 67 -1.953 14.285 -0.102 437 H ALA 68 H ALA 68 -6.477 11.447 -0.958 438 HA ALA 68 HA ALA 68 -7.295 8.741 -1.118 439 1HB ALA 68 1HB ALA 68 -9.335 10.058 -2.303 440 2HB ALA 68 2HB ALA 68 -9.111 9.946 -0.556 441 3HB ALA 68 3HB ALA 68 -8.561 11.378 -1.426 442 HA PRO 69 HA PRO 69 -6.288 7.768 -5.298 443 2HB PRO 69 2HB PRO 69 -6.534 5.569 -4.680 444 2HG PRO 69 2HG PRO 69 -8.121 4.936 -3.104 445 2HD PRO 69 2HD PRO 69 -7.101 6.662 -1.968 446 H SER 70 H SER 70 -7.249 9.862 -5.989 447 HA SER 70 HA SER 70 -9.986 9.746 -6.964 448 2HB SER 70 2HB SER 70 -9.078 12.136 -7.853 449 HG SER 70 HG SER 70 -10.074 12.964 -6.067 450 H TYR 71 H TYR 71 -7.067 8.728 -8.077 451 HA TYR 71 HA TYR 71 -7.956 8.943 -10.870 452 2HB TYR 71 2HB TYR 71 -6.214 10.527 -10.807 453 HD1 TYR 71 HD1 TYR 71 -4.761 7.453 -9.244 454 HD2 TYR 71 HD2 TYR 71 -4.717 11.700 -9.506 455 HE1 TYR 71 HE1 TYR 71 -3.046 7.538 -7.483 456 HE2 TYR 71 HE2 TYR 71 -3.001 11.796 -7.747 457 HH TYR 71 HH TYR 71 -2.138 10.468 -5.944 458 H SER 72 H SER 72 -6.631 7.364 -12.275 459 HA SER 72 HA SER 72 -7.041 4.750 -11.223 460 2HB SER 72 2HB SER 72 -7.417 4.792 -13.502 461 HG SER 72 HG SER 72 -5.177 5.873 -14.523 462 HA PRO 73 HA PRO 73 -3.117 3.786 -9.507 463 2HB PRO 73 2HB PRO 73 -4.036 1.787 -8.843 464 2HG PRO 73 2HG PRO 73 -5.560 0.661 -10.192 465 2HD PRO 73 2HD PRO 73 -6.500 2.765 -10.201 466 HA PRO 74 HA PRO 74 -0.098 4.079 -12.714 467 2HB PRO 74 2HB PRO 74 1.290 4.975 -11.117 468 2HG PRO 74 2HG PRO 74 1.206 4.248 -8.911 469 2HD PRO 74 2HD PRO 74 -1.033 4.643 -9.282 470 HA PRO 75 HA PRO 75 0.491 0.023 -14.339 471 2HB PRO 75 2HB PRO 75 0.899 1.046 -16.355 472 2HG PRO 75 2HG PRO 75 2.010 3.086 -16.462 473 2HD PRO 75 2HD PRO 75 0.418 3.584 -14.871 474 HA PRO 76 HA PRO 76 3.673 -1.575 -11.643 475 2HB PRO 76 2HB PRO 76 2.184 -3.246 -11.127 476 2HG PRO 76 2HG PRO 76 0.608 -3.969 -12.677 477 2HD PRO 76 2HD PRO 76 0.262 -1.693 -12.792 478 HA PRO 77 HA PRO 77 7.147 -2.516 -14.169 479 2HB PRO 77 2HB PRO 77 8.367 -2.828 -12.247 480 2HG PRO 77 2HG PRO 77 7.437 -3.883 -10.395 481 2HD PRO 77 2HD PRO 77 5.788 -2.336 -10.838 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -9.583 11.101 6.364 2 1HA GLY 1 2HA GLY 1 -10.490 13.127 7.498 3 2HA GLY 1 1HA GLY 1 -10.106 12.315 9.008 4 H ALA 2 H ALA 2 -7.770 11.742 9.314 5 HA ALA 2 HA ALA 2 -6.184 14.079 8.955 6 1HB ALA 2 1HB ALA 2 -6.049 12.526 10.911 7 2HB ALA 2 2HB ALA 2 -5.232 11.368 9.860 8 3HB ALA 2 3HB ALA 2 -4.493 12.935 10.188 9 H MET 3 H MET 3 -4.516 14.493 7.579 10 HA MET 3 HA MET 3 -4.098 12.540 5.416 11 2HB MET 3 2HB MET 3 -3.735 15.542 5.358 12 2HG MET 3 2HG MET 3 -4.007 14.059 2.846 13 1HE MET 3 1HE MET 3 -0.915 15.297 1.536 14 2HE MET 3 2HE MET 3 -0.338 16.421 2.767 15 3HE MET 3 3HE MET 3 -0.692 14.746 3.196 16 H GLY 4 H GLY 4 -2.232 15.363 6.519 17 1HA GLY 4 2HA GLY 4 -0.032 15.574 7.143 18 2HA GLY 4 1HA GLY 4 -0.105 13.894 7.653 19 HA PRO 5 HA PRO 5 2.333 14.618 3.572 20 2HB PRO 5 2HB PRO 5 3.729 16.329 4.205 21 2HG PRO 5 2HG PRO 5 4.183 16.740 6.448 22 2HD PRO 5 2HD PRO 5 1.882 16.635 6.522 23 H ARG 6 H ARG 6 2.111 12.605 6.167 24 HA ARG 6 HA ARG 6 4.194 10.862 6.186 25 2HB ARG 6 2HB ARG 6 2.611 9.102 6.796 26 2HG ARG 6 2HG ARG 6 1.711 10.016 8.710 27 2HD ARG 6 2HD ARG 6 3.229 11.718 9.520 28 HE ARG 6 HE ARG 6 4.262 9.444 8.149 29 1HH1 ARG 6 2HH1 ARG 6 5.181 12.360 9.814 30 2HH1 ARG 6 1HH1 ARG 6 6.734 11.754 10.289 31 1HH2 ARG 6 2HH2 ARG 6 6.302 8.636 8.769 32 2HH2 ARG 6 1HH2 ARG 6 7.370 9.636 9.694 33 H GLU 7 H GLU 7 5.288 10.410 4.341 34 HA GLU 7 HA GLU 7 3.877 9.567 1.953 35 2HB GLU 7 2HB GLU 7 5.706 10.907 1.419 36 2HG GLU 7 2HG GLU 7 8.049 9.875 2.362 37 H VAL 8 H VAL 8 3.186 7.544 1.798 38 HA VAL 8 HA VAL 8 4.576 5.407 3.218 39 HB VAL 8 HB VAL 8 1.988 5.771 3.119 40 1HG1 VAL 8 1HG1 VAL 8 2.457 4.190 0.592 41 2HG1 VAL 8 2HG1 VAL 8 0.892 4.510 1.342 42 3HG1 VAL 8 3HG1 VAL 8 1.842 5.841 0.678 43 1HG2 VAL 8 1HG2 VAL 8 1.678 3.544 3.730 44 2HG2 VAL 8 2HG2 VAL 8 2.913 2.963 2.613 45 3HG2 VAL 8 3HG2 VAL 8 3.383 3.829 4.076 46 H THR 9 H THR 9 5.880 3.989 2.258 47 HA THR 9 HA THR 9 5.793 3.763 -0.678 48 HB THR 9 HB THR 9 8.212 3.551 -0.751 49 HG1 THR 9 HG1 THR 9 9.258 4.212 1.393 50 1HG2 THR 9 1HG2 THR 9 8.777 5.806 -0.443 51 2HG2 THR 9 2HG2 THR 9 7.671 5.990 0.918 52 3HG2 THR 9 3HG2 THR 9 7.036 5.835 -0.719 53 H MET 10 H MET 10 6.039 1.738 -1.543 54 HA MET 10 HA MET 10 6.211 -0.480 0.389 55 2HB MET 10 2HB MET 10 4.689 -1.735 -0.912 56 2HG MET 10 2HG MET 10 3.862 1.113 -0.645 57 1HE MET 10 1HE MET 10 3.201 -2.194 -2.189 58 2HE MET 10 2HE MET 10 1.788 -1.983 -3.223 59 3HE MET 10 3HE MET 10 3.317 -1.214 -3.651 60 H LYS 11 H LYS 11 8.183 -1.336 0.273 61 HA LYS 11 HA LYS 11 9.621 -1.391 -2.257 62 2HB LYS 11 2HB LYS 11 11.386 -2.512 -0.666 63 2HG LYS 11 2HG LYS 11 11.065 0.225 0.286 64 2HD LYS 11 2HD LYS 11 13.131 -1.496 -0.192 65 2HE LYS 11 2HE LYS 11 14.474 -0.430 -1.971 66 1HZ LYS 11 1HZ LYS 11 12.361 -2.194 -2.322 67 2HZ LYS 11 2HZ LYS 11 13.724 -2.011 -3.306 68 3HZ LYS 11 3HZ LYS 11 12.316 -1.135 -3.641 69 H LYS 12 H LYS 12 9.752 -3.116 -3.534 70 HA LYS 12 HA LYS 12 8.223 -5.321 -3.484 71 2HB LYS 12 2HB LYS 12 11.064 -5.748 -4.305 72 2HG LYS 12 2HG LYS 12 8.386 -6.561 -5.257 73 2HD LYS 12 2HD LYS 12 9.909 -5.191 -7.049 74 2HE LYS 12 2HE LYS 12 10.511 -8.102 -7.534 75 1HZ LYS 12 1HZ LYS 12 10.439 -6.147 -9.310 76 2HZ LYS 12 2HZ LYS 12 11.546 -7.423 -9.404 77 3HZ LYS 12 3HZ LYS 12 12.025 -5.935 -8.756 78 H GLY 13 H GLY 13 7.840 -6.767 -1.944 79 1HA GLY 13 2HA GLY 13 8.400 -8.647 -0.647 80 2HA GLY 13 1HA GLY 13 10.090 -8.167 -0.723 81 H ASP 14 H ASP 14 7.059 -6.708 0.470 82 HA ASP 14 HA ASP 14 8.204 -6.534 3.139 83 2HB ASP 14 2HB ASP 14 6.980 -3.996 2.284 84 H ILE 15 H ILE 15 6.691 -6.544 4.750 85 HA ILE 15 HA ILE 15 3.933 -7.007 3.893 86 HB ILE 15 HB ILE 15 5.189 -7.463 6.602 87 2HG1 ILE 15 2HG1 ILE 15 5.956 -8.858 4.535 88 1HG2 ILE 15 1HG2 ILE 15 2.677 -8.781 5.711 89 2HG2 ILE 15 2HG2 ILE 15 3.206 -8.332 7.332 90 3HG2 ILE 15 3HG2 ILE 15 2.603 -7.096 6.228 91 1HD1 ILE 15 1HD1 ILE 15 6.393 -9.483 6.906 92 2HD1 ILE 15 2HD1 ILE 15 4.887 -10.399 6.882 93 3HD1 ILE 15 3HD1 ILE 15 6.210 -10.849 5.805 94 H LEU 16 H LEU 16 2.785 -5.180 3.757 95 HA LEU 16 HA LEU 16 3.072 -3.175 5.888 96 2HB LEU 16 2HB LEU 16 2.468 -1.531 4.402 97 HG LEU 16 HG LEU 16 4.370 -3.269 3.334 98 1HD1 LEU 16 1HD1 LEU 16 2.110 -2.846 1.478 99 2HD1 LEU 16 2HD1 LEU 16 3.289 -4.153 1.555 100 3HD1 LEU 16 3HD1 LEU 16 3.730 -2.611 0.823 101 1HD2 LEU 16 1HD2 LEU 16 3.604 -0.447 3.165 102 2HD2 LEU 16 2HD2 LEU 16 4.528 -1.033 1.782 103 3HD2 LEU 16 3HD2 LEU 16 5.188 -1.183 3.411 104 H THR 17 H THR 17 1.473 -2.881 7.298 105 HA THR 17 HA THR 17 -0.628 -4.525 7.730 106 HB THR 17 HB THR 17 -0.623 -1.544 8.242 107 HG1 THR 17 HG1 THR 17 -0.110 -2.565 10.446 108 1HG2 THR 17 1HG2 THR 17 -2.316 -1.943 9.895 109 2HG2 THR 17 2HG2 THR 17 -2.239 -3.684 9.627 110 3HG2 THR 17 3HG2 THR 17 -2.875 -2.624 8.368 111 H LEU 18 H LEU 18 -2.434 -5.052 6.698 112 HA LEU 18 HA LEU 18 -3.213 -3.795 4.280 113 2HB LEU 18 2HB LEU 18 -4.921 -5.635 5.933 114 HG LEU 18 HG LEU 18 -5.272 -6.617 3.522 115 1HD1 LEU 18 1HD1 LEU 18 -6.699 -4.074 4.240 116 2HD1 LEU 18 2HD1 LEU 18 -6.938 -5.578 5.131 117 3HD1 LEU 18 3HD1 LEU 18 -7.334 -5.498 3.414 118 1HD2 LEU 18 1HD2 LEU 18 -4.971 -3.722 2.809 119 2HD2 LEU 18 2HD2 LEU 18 -5.121 -5.122 1.746 120 3HD2 LEU 18 3HD2 LEU 18 -3.623 -4.847 2.638 121 H LEU 19 H LEU 19 -3.333 -1.590 5.291 122 HA LEU 19 HA LEU 19 -5.322 -0.821 7.084 123 2HB LEU 19 2HB LEU 19 -5.127 1.374 5.537 124 HG LEU 19 HG LEU 19 -4.378 1.507 7.800 125 1HD1 LEU 19 1HD1 LEU 19 -3.374 -0.554 8.244 126 2HD1 LEU 19 2HD1 LEU 19 -2.046 0.602 8.337 127 3HD1 LEU 19 3HD1 LEU 19 -2.244 -0.398 6.899 128 1HD2 LEU 19 1HD2 LEU 19 -1.990 2.118 6.068 129 2HD2 LEU 19 2HD2 LEU 19 -2.468 2.910 7.570 130 3HD2 LEU 19 3HD2 LEU 19 -3.446 3.113 6.115 131 H ASN 20 H ASN 20 -7.014 0.962 6.170 132 HA ASN 20 HA ASN 20 -9.201 -0.355 5.243 133 2HB ASN 20 2HB ASN 20 -9.290 2.248 4.073 134 1HD2 ASN 20 1HD2 ASN 20 -11.442 1.977 4.026 135 2HD2 ASN 20 2HD2 ASN 20 -12.441 1.820 5.428 136 H SER 21 H SER 21 -9.230 -1.688 3.541 137 HA SER 21 HA SER 21 -7.970 -0.848 1.034 138 2HB SER 21 2HB SER 21 -8.800 -3.347 0.490 139 HG SER 21 HG SER 21 -6.715 -4.010 1.301 140 H THR 22 H THR 22 -10.546 0.211 2.097 141 HA THR 22 HA THR 22 -12.792 -0.779 0.847 142 HB THR 22 HB THR 22 -13.050 1.019 2.394 143 HG1 THR 22 HG1 THR 22 -14.652 1.853 1.284 144 1HG2 THR 22 1HG2 THR 22 -11.756 2.967 0.518 145 2HG2 THR 22 2HG2 THR 22 -10.785 2.053 1.673 146 3HG2 THR 22 3HG2 THR 22 -12.064 3.122 2.247 147 H ASN 23 H ASN 23 -10.338 1.410 -0.473 148 HA ASN 23 HA ASN 23 -11.630 1.823 -2.962 149 2HB ASN 23 2HB ASN 23 -8.929 2.193 -3.450 150 1HD2 ASN 23 1HD2 ASN 23 -10.113 3.459 -4.925 151 2HD2 ASN 23 2HD2 ASN 23 -10.694 5.027 -4.490 152 H LYS 24 H LYS 24 -11.978 0.345 -4.469 153 HA LYS 24 HA LYS 24 -10.715 -2.190 -4.506 154 2HB LYS 24 2HB LYS 24 -11.847 -1.660 -7.055 155 2HG LYS 24 2HG LYS 24 -13.701 -2.848 -5.174 156 2HD LYS 24 2HD LYS 24 -13.049 -3.123 -7.813 157 2HE LYS 24 2HE LYS 24 -12.513 -5.849 -7.148 158 1HZ LYS 24 1HZ LYS 24 -11.758 -5.425 -9.197 159 2HZ LYS 24 2HZ LYS 24 -10.334 -4.942 -8.424 160 3HZ LYS 24 3HZ LYS 24 -11.479 -3.786 -8.885 161 H ASP 25 H ASP 25 -10.125 0.824 -6.186 162 HA ASP 25 HA ASP 25 -8.093 -0.409 -7.877 163 2HB ASP 25 2HB ASP 25 -7.949 1.770 -8.971 164 H TRP 26 H TRP 26 -8.219 0.674 -4.801 165 HA TRP 26 HA TRP 26 -5.354 0.998 -4.664 166 2HB TRP 26 2HB TRP 26 -5.521 3.172 -3.418 167 HD1 TRP 26 HD1 TRP 26 -7.624 3.421 -6.655 168 HE1 TRP 26 HE1 TRP 26 -6.200 4.607 -8.441 169 HE3 TRP 26 HE3 TRP 26 -3.239 3.828 -4.059 170 HZ2 TRP 26 HZ2 TRP 26 -3.567 5.587 -8.712 171 HZ3 TRP 26 HZ3 TRP 26 -1.316 4.903 -5.154 172 HH2 TRP 26 HH2 TRP 26 -1.477 5.762 -7.432 173 H TRP 27 H TRP 27 -4.685 -0.075 -2.934 174 HA TRP 27 HA TRP 27 -6.591 -0.517 -0.738 175 2HB TRP 27 2HB TRP 27 -4.609 -2.310 -0.261 176 HD1 TRP 27 HD1 TRP 27 -7.911 -1.668 -1.929 177 HE1 TRP 27 HE1 TRP 27 -9.326 -3.818 -1.906 178 HE3 TRP 27 HE3 TRP 27 -4.324 -4.982 -0.419 179 HZ2 TRP 27 HZ2 TRP 27 -8.968 -6.557 -1.323 180 HZ3 TRP 27 HZ3 TRP 27 -4.942 -7.349 -0.152 181 HH2 TRP 27 HH2 TRP 27 -7.216 -8.118 -0.595 182 H LYS 28 H LYS 28 -6.286 0.857 0.887 183 HA LYS 28 HA LYS 28 -3.961 2.330 1.383 184 2HB LYS 28 2HB LYS 28 -5.882 1.620 3.577 185 2HG LYS 28 2HG LYS 28 -4.830 4.323 2.803 186 2HD LYS 28 2HD LYS 28 -5.614 3.395 5.538 187 2HE LYS 28 2HE LYS 28 -6.099 6.081 4.314 188 1HZ LYS 28 1HZ LYS 28 -6.283 6.778 6.444 189 2HZ LYS 28 2HZ LYS 28 -5.148 5.675 7.040 190 3HZ LYS 28 3HZ LYS 28 -6.724 5.165 6.701 191 H VAL 29 H VAL 29 -2.147 1.959 2.524 192 HA VAL 29 HA VAL 29 -2.008 -0.328 4.332 193 HB VAL 29 HB VAL 29 -0.008 -1.240 3.338 194 1HG1 VAL 29 1HG1 VAL 29 -0.947 -1.913 1.070 195 2HG1 VAL 29 2HG1 VAL 29 -1.951 -2.254 2.481 196 3HG1 VAL 29 3HG1 VAL 29 -2.316 -0.870 1.450 197 1HG2 VAL 29 1HG2 VAL 29 0.782 -0.387 1.123 198 2HG2 VAL 29 2HG2 VAL 29 -0.280 1.004 1.343 199 3HG2 VAL 29 3HG2 VAL 29 1.048 0.720 2.470 200 H GLU 30 H GLU 30 -0.612 -0.047 6.011 201 HA GLU 30 HA GLU 30 0.634 2.587 6.222 202 2HB GLU 30 2HB GLU 30 -0.059 0.462 8.240 203 2HG GLU 30 2HG GLU 30 1.325 3.061 8.853 204 H VAL 31 H VAL 31 2.790 2.788 7.146 205 HA VAL 31 HA VAL 31 4.516 0.450 6.721 206 HB VAL 31 HB VAL 31 4.974 3.203 5.572 207 1HG1 VAL 31 1HG1 VAL 31 7.071 1.842 4.660 208 2HG1 VAL 31 2HG1 VAL 31 7.120 2.747 6.173 209 3HG1 VAL 31 3HG1 VAL 31 6.861 1.003 6.197 210 1HG2 VAL 31 1HG2 VAL 31 5.224 0.740 3.957 211 2HG2 VAL 31 2HG2 VAL 31 3.596 1.190 4.463 212 3HG2 VAL 31 3HG2 VAL 31 4.571 2.320 3.524 213 H ASN 32 H ASN 32 4.238 0.566 9.130 214 HA ASN 32 HA ASN 32 5.255 0.850 11.151 215 2HB ASN 32 2HB ASN 32 7.477 1.710 11.280 216 1HD2 ASN 32 1HD2 ASN 32 7.576 1.601 7.848 217 2HD2 ASN 32 2HD2 ASN 32 8.151 -0.022 7.698 218 H ASP 33 H ASP 33 5.935 3.958 9.546 219 HA ASP 33 HA ASP 33 4.169 5.260 11.511 220 2HB ASP 33 2HB ASP 33 6.113 7.149 10.811 221 H ARG 34 H ARG 34 5.193 4.918 8.259 222 HA ARG 34 HA ARG 34 3.641 7.269 7.429 223 2HB ARG 34 2HB ARG 34 4.904 7.372 5.499 224 2HG ARG 34 2HG ARG 34 6.655 6.147 7.595 225 2HD ARG 34 2HD ARG 34 7.224 6.420 4.769 226 HE ARG 34 HE ARG 34 8.278 8.543 5.996 227 1HH1 ARG 34 2HH1 ARG 34 9.722 5.558 4.937 228 2HH1 ARG 34 1HH1 ARG 34 11.275 6.266 4.635 229 1HH2 ARG 34 2HH2 ARG 34 10.318 9.486 5.603 230 2HH2 ARG 34 1HH2 ARG 34 11.612 8.499 5.015 231 H GLN 35 H GLN 35 1.665 6.993 6.641 232 HA GLN 35 HA GLN 35 0.984 4.421 5.388 233 2HB GLN 35 2HB GLN 35 -0.631 3.991 6.870 234 2HG GLN 35 2HG GLN 35 0.103 6.488 8.368 235 1HE2 GLN 35 1HE2 GLN 35 0.669 4.069 10.324 236 2HE2 GLN 35 2HE2 GLN 35 -0.878 3.843 11.059 237 H GLY 36 H GLY 36 -0.739 4.506 3.837 238 1HA GLY 36 2HA GLY 36 -2.086 6.830 3.052 239 2HA GLY 36 1HA GLY 36 -0.597 6.740 2.124 240 H PHE 37 H PHE 37 -2.600 6.712 0.537 241 HA PHE 37 HA PHE 37 -3.705 4.065 0.148 242 2HB PHE 37 2HB PHE 37 -4.701 5.198 -1.931 243 HD1 PHE 37 HD1 PHE 37 -4.835 7.603 0.850 244 HD2 PHE 37 HD2 PHE 37 -6.650 4.219 -0.988 245 HE1 PHE 37 HE1 PHE 37 -6.822 7.899 2.272 246 HE2 PHE 37 HE2 PHE 37 -8.639 4.511 0.431 247 HZ PHE 37 HZ PHE 37 -8.727 6.353 2.063 248 H VAL 38 H VAL 38 -3.101 2.593 -1.349 249 HA VAL 38 HA VAL 38 -1.100 3.340 -3.355 250 HB VAL 38 HB VAL 38 0.110 1.158 -2.840 251 1HG1 VAL 38 1HG1 VAL 38 0.975 2.423 -0.556 252 2HG1 VAL 38 2HG1 VAL 38 1.532 2.758 -2.197 253 3HG1 VAL 38 3HG1 VAL 38 0.246 3.732 -1.484 254 1HG2 VAL 38 1HG2 VAL 38 -0.071 0.342 -0.532 255 2HG2 VAL 38 2HG2 VAL 38 -1.402 1.462 -0.246 256 3HG2 VAL 38 3HG2 VAL 38 -1.586 0.153 -1.414 257 HA PRO 39 HA PRO 39 -3.417 0.766 -6.052 258 2HB PRO 39 2HB PRO 39 -2.067 1.530 -7.748 259 2HG PRO 39 2HG PRO 39 0.199 1.912 -7.397 260 2HD PRO 39 2HD PRO 39 -0.679 3.062 -5.603 261 H ALA 40 H ALA 40 -4.275 -1.115 -5.440 262 HA ALA 40 HA ALA 40 -3.058 -3.104 -3.948 263 1HB ALA 40 1HB ALA 40 -5.161 -3.983 -5.828 264 2HB ALA 40 2HB ALA 40 -5.030 -4.204 -4.083 265 3HB ALA 40 3HB ALA 40 -5.577 -2.661 -4.737 266 H ALA 41 H ALA 41 -2.682 -2.392 -7.264 267 HA ALA 41 HA ALA 41 -2.032 -4.983 -8.228 268 1HB ALA 41 1HB ALA 41 -0.650 -2.958 -9.696 269 2HB ALA 41 2HB ALA 41 -2.054 -3.914 -10.171 270 3HB ALA 41 3HB ALA 41 -2.275 -2.393 -9.308 271 H TYR 42 H TYR 42 -0.267 -2.560 -6.481 272 HA TYR 42 HA TYR 42 2.298 -3.830 -7.025 273 2HB TYR 42 2HB TYR 42 3.149 -1.981 -5.491 274 HD1 TYR 42 HD1 TYR 42 4.502 -0.612 -6.765 275 HD2 TYR 42 HD2 TYR 42 0.617 -1.571 -8.211 276 HE1 TYR 42 HE1 TYR 42 4.985 0.600 -8.850 277 HE2 TYR 42 HE2 TYR 42 1.090 -0.362 -10.300 278 HH TYR 42 HH TYR 42 4.212 0.640 -11.178 279 H VAL 43 H VAL 43 -0.198 -4.509 -5.070 280 HA VAL 43 HA VAL 43 1.543 -5.806 -3.105 281 HB VAL 43 HB VAL 43 -0.254 -5.233 -1.347 282 1HG1 VAL 43 1HG1 VAL 43 0.957 -2.708 -1.554 283 2HG1 VAL 43 2HG1 VAL 43 1.492 -4.088 -0.593 284 3HG1 VAL 43 3HG1 VAL 43 2.102 -3.863 -2.233 285 1HG2 VAL 43 1HG2 VAL 43 -1.333 -3.030 -1.720 286 2HG2 VAL 43 2HG2 VAL 43 -0.781 -3.081 -3.393 287 3HG2 VAL 43 3HG2 VAL 43 -1.922 -4.289 -2.805 288 H LYS 44 H LYS 44 0.157 -7.333 -1.692 289 HA LYS 44 HA LYS 44 -2.263 -8.348 -2.820 290 2HB LYS 44 2HB LYS 44 0.342 -9.676 -3.443 291 2HG LYS 44 2HG LYS 44 -1.443 -11.615 -4.095 292 2HD LYS 44 2HD LYS 44 -0.492 -12.880 -2.186 293 2HE LYS 44 2HE LYS 44 1.990 -11.766 -2.858 294 1HZ LYS 44 1HZ LYS 44 0.445 -13.916 -4.202 295 2HZ LYS 44 2HZ LYS 44 1.474 -14.114 -2.874 296 3HZ LYS 44 3HZ LYS 44 2.108 -13.656 -4.373 297 H LYS 45 H LYS 45 -3.340 -9.667 -1.408 298 HA LYS 45 HA LYS 45 -2.640 -9.613 1.295 299 2HB LYS 45 2HB LYS 45 -4.360 -11.760 1.094 300 2HG LYS 45 2HG LYS 45 -5.439 -8.980 0.896 301 2HD LYS 45 2HD LYS 45 -6.515 -10.339 3.061 302 2HE LYS 45 2HE LYS 45 -7.533 -10.108 0.230 303 1HZ LYS 45 1HZ LYS 45 -9.732 -10.134 1.519 304 2HZ LYS 45 2HZ LYS 45 -8.855 -10.905 2.742 305 3HZ LYS 45 3HZ LYS 45 -8.970 -11.612 1.209 306 H LEU 46 H LEU 46 -1.841 -11.168 2.710 307 HA LEU 46 HA LEU 46 -0.322 -13.333 1.420 308 2HB LEU 46 2HB LEU 46 1.104 -13.270 3.444 309 HG LEU 46 HG LEU 46 0.921 -10.916 1.661 310 1HD1 LEU 46 1HD1 LEU 46 1.442 -9.482 3.304 311 2HD1 LEU 46 2HD1 LEU 46 3.047 -10.203 3.188 312 3HD1 LEU 46 3HD1 LEU 46 1.914 -10.767 4.416 313 1HD2 LEU 46 1HD2 LEU 46 3.521 -12.035 2.337 314 2HD2 LEU 46 2HD2 LEU 46 2.747 -11.833 0.765 315 3HD2 LEU 46 3HD2 LEU 46 2.381 -13.247 1.753 316 H ASP 47 H ASP 47 0.145 -15.176 3.072 317 HA ASP 47 HA ASP 47 -2.460 -16.091 4.021 318 2HB ASP 47 2HB ASP 47 -0.928 -18.244 4.391 319 H SER 48 H SER 48 -2.966 -15.687 6.064 320 HA SER 48 HA SER 48 -0.911 -16.084 8.126 321 2HB SER 48 2HB SER 48 -1.200 -13.645 7.688 322 HG SER 48 HG SER 48 -3.125 -12.817 7.615 323 H GLY 49 H GLY 49 -1.692 -17.972 8.929 324 1HA GLY 49 2HA GLY 49 -4.503 -18.420 9.339 325 2HA GLY 49 1HA GLY 49 -3.193 -19.484 9.828 326 H THR 50 H THR 50 -4.015 -16.124 10.674 327 HA THR 50 HA THR 50 -4.281 -16.970 13.476 328 HB THR 50 HB THR 50 -2.100 -16.077 13.485 329 HG1 THR 50 HG1 THR 50 -3.884 -15.010 14.895 330 1HG2 THR 50 1HG2 THR 50 -3.165 -13.788 11.825 331 2HG2 THR 50 2HG2 THR 50 -2.083 -15.067 11.275 332 3HG2 THR 50 3HG2 THR 50 -1.530 -13.898 12.472 333 H GLY 51 H GLY 51 -4.987 -14.605 10.970 334 1HA GLY 51 2HA GLY 51 -7.293 -13.826 10.808 335 2HA GLY 51 1HA GLY 51 -7.323 -13.752 12.564 336 H LYS 52 H LYS 52 -4.939 -12.562 10.210 337 HA LYS 52 HA LYS 52 -5.408 -9.847 11.258 338 2HB LYS 52 2HB LYS 52 -3.003 -9.398 10.934 339 2HG LYS 52 2HG LYS 52 -2.160 -11.297 12.586 340 2HD LYS 52 2HD LYS 52 -3.064 -8.718 12.848 341 2HE LYS 52 2HE LYS 52 -5.270 -9.926 13.576 342 1HZ LYS 52 1HZ LYS 52 -5.253 -11.011 15.495 343 2HZ LYS 52 2HZ LYS 52 -4.422 -9.768 16.286 344 3HZ LYS 52 3HZ LYS 52 -3.561 -10.964 15.456 345 H GLU 53 H GLU 53 -4.669 -8.114 9.748 346 HA GLU 53 HA GLU 53 -5.243 -8.900 6.968 347 2HB GLU 53 2HB GLU 53 -6.368 -6.894 6.626 348 2HG GLU 53 2HG GLU 53 -7.178 -6.619 9.369 349 H LEU 54 H LEU 54 -3.211 -9.227 6.172 350 HA LEU 54 HA LEU 54 -1.406 -6.899 6.218 351 2HB LEU 54 2HB LEU 54 -0.078 -8.307 7.370 352 HG LEU 54 HG LEU 54 -1.685 -10.163 7.605 353 1HD1 LEU 54 1HD1 LEU 54 -2.450 -11.039 5.700 354 2HD1 LEU 54 2HD1 LEU 54 -0.967 -11.993 5.701 355 3HD1 LEU 54 3HD1 LEU 54 -1.049 -10.493 4.776 356 1HD2 LEU 54 1HD2 LEU 54 1.218 -10.517 7.209 357 2HD2 LEU 54 2HD2 LEU 54 0.254 -11.993 7.285 358 3HD2 LEU 54 3HD2 LEU 54 0.214 -10.842 8.623 359 H VAL 55 H VAL 55 0.143 -6.889 4.349 360 HA VAL 55 HA VAL 55 -0.703 -8.290 1.964 361 HB VAL 55 HB VAL 55 -0.777 -5.968 0.751 362 1HG1 VAL 55 1HG1 VAL 55 -3.177 -5.986 0.875 363 2HG1 VAL 55 2HG1 VAL 55 -2.598 -7.654 0.898 364 3HG1 VAL 55 3HG1 VAL 55 -3.135 -6.884 2.391 365 1HG2 VAL 55 1HG2 VAL 55 -1.673 -5.228 3.536 366 2HG2 VAL 55 2HG2 VAL 55 -0.217 -4.644 2.730 367 3HG2 VAL 55 3HG2 VAL 55 -1.807 -4.211 2.101 368 H LEU 56 H LEU 56 1.065 -8.820 0.872 369 HA LEU 56 HA LEU 56 3.595 -7.587 1.514 370 2HB LEU 56 2HB LEU 56 2.895 -9.784 -0.429 371 HG LEU 56 HG LEU 56 5.477 -8.536 0.125 372 1HD1 LEU 56 1HD1 LEU 56 6.378 -10.183 1.320 373 2HD1 LEU 56 2HD1 LEU 56 6.274 -11.160 -0.145 374 3HD1 LEU 56 3HD1 LEU 56 4.992 -11.242 1.062 375 1HD2 LEU 56 1HD2 LEU 56 5.372 -10.640 -1.862 376 2HD2 LEU 56 2HD2 LEU 56 5.715 -8.921 -2.055 377 3HD2 LEU 56 3HD2 LEU 56 4.046 -9.493 -2.050 378 H ALA 57 H ALA 57 5.030 -6.660 -0.029 379 HA ALA 57 HA ALA 57 3.622 -5.156 -2.096 380 1HB ALA 57 1HB ALA 57 5.270 -3.569 -1.954 381 2HB ALA 57 2HB ALA 57 5.304 -4.221 -0.315 382 3HB ALA 57 3HB ALA 57 6.509 -4.738 -1.494 383 H LEU 58 H LEU 58 3.506 -6.073 -4.038 384 HA LEU 58 HA LEU 58 5.434 -8.017 -4.924 385 2HB LEU 58 2HB LEU 58 3.987 -8.489 -6.638 386 HG LEU 58 HG LEU 58 2.066 -7.099 -4.770 387 1HD1 LEU 58 1HD1 LEU 58 1.025 -7.565 -6.885 388 2HD1 LEU 58 2HD1 LEU 58 0.449 -8.731 -5.695 389 3HD1 LEU 58 3HD1 LEU 58 1.660 -9.210 -6.884 390 1HD2 LEU 58 1HD2 LEU 58 3.756 -9.280 -4.281 391 2HD2 LEU 58 2HD2 LEU 58 2.154 -9.964 -4.568 392 3HD2 LEU 58 3HD2 LEU 58 2.381 -8.744 -3.313 393 H TYR 59 H TYR 59 4.707 -4.646 -5.566 394 HA TYR 59 HA TYR 59 7.142 -4.505 -7.217 395 2HB TYR 59 2HB TYR 59 6.134 -3.039 -8.751 396 HD1 TYR 59 HD1 TYR 59 6.169 -5.992 -8.695 397 HD2 TYR 59 HD2 TYR 59 2.893 -3.283 -8.895 398 HE1 TYR 59 HE1 TYR 59 4.821 -7.713 -9.823 399 HE2 TYR 59 HE2 TYR 59 1.537 -4.998 -10.021 400 HH TYR 59 HH TYR 59 1.510 -7.035 -10.908 401 H ASP 60 H ASP 60 7.709 -2.017 -7.477 402 HA ASP 60 HA ASP 60 7.950 -1.005 -4.740 403 2HB ASP 60 2HB ASP 60 9.543 -0.696 -7.244 404 H TYR 61 H TYR 61 6.801 0.674 -4.063 405 HA TYR 61 HA TYR 61 5.754 2.571 -6.053 406 2HB TYR 61 2HB TYR 61 4.225 1.497 -3.672 407 HD1 TYR 61 HD1 TYR 61 3.853 3.951 -3.063 408 HD2 TYR 61 HD2 TYR 61 2.501 2.235 -6.715 409 HE1 TYR 61 HE1 TYR 61 2.256 5.802 -3.335 410 HE2 TYR 61 HE2 TYR 61 0.902 4.082 -6.997 411 HH TYR 61 HH TYR 61 0.077 6.193 -4.532 412 H GLN 62 H GLN 62 5.087 4.660 -5.081 413 HA GLN 62 HA GLN 62 6.290 5.313 -2.519 414 2HB GLN 62 2HB GLN 62 7.097 7.327 -4.420 415 2HG GLN 62 2HG GLN 62 9.412 6.519 -3.581 416 1HE2 GLN 62 1HE2 GLN 62 6.419 7.245 -1.833 417 2HE2 GLN 62 2HE2 GLN 62 7.011 8.671 -1.060 418 H GLU 63 H GLU 63 4.835 6.474 -1.463 419 HA GLU 63 HA GLU 63 3.057 8.244 -3.009 420 2HB GLU 63 2HB GLU 63 2.151 7.541 -0.319 421 2HG GLU 63 2HG GLU 63 0.086 6.929 -1.505 422 H SER 64 H SER 64 2.663 10.313 -2.263 423 HA SER 64 HA SER 64 4.414 11.225 -0.074 424 2HB SER 64 2HB SER 64 5.174 12.074 -2.241 425 HG SER 64 HG SER 64 2.481 12.843 -2.460 426 H GLY 65 H GLY 65 3.070 11.365 1.637 427 1HA GLY 65 2HA GLY 65 1.501 12.377 2.995 428 2HA GLY 65 1HA GLY 65 1.108 13.452 1.662 429 H ASP 66 H ASP 66 0.108 10.794 3.504 430 HA ASP 66 HA ASP 66 -1.414 9.165 2.025 431 2HB ASP 66 2HB ASP 66 -2.072 10.527 4.624 432 H ASN 67 H ASN 67 -2.433 9.714 0.192 433 HA ASN 67 HA ASN 67 -4.469 11.838 0.354 434 2HB ASN 67 2HB ASN 67 -2.361 11.332 -1.667 435 1HD2 ASN 67 1HD2 ASN 67 -3.422 10.056 -3.220 436 2HD2 ASN 67 2HD2 ASN 67 -4.597 10.737 -4.287 437 H ALA 68 H ALA 68 -6.363 11.537 -0.934 438 HA ALA 68 HA ALA 68 -7.229 8.799 -1.006 439 1HB ALA 68 1HB ALA 68 -8.576 11.399 -1.690 440 2HB ALA 68 2HB ALA 68 -9.364 9.833 -1.885 441 3HB ALA 68 3HB ALA 68 -8.843 10.364 -0.287 442 HA PRO 69 HA PRO 69 -6.212 7.904 -5.201 443 2HB PRO 69 2HB PRO 69 -6.467 5.694 -4.628 444 2HG PRO 69 2HG PRO 69 -8.062 5.035 -3.069 445 2HD PRO 69 2HD PRO 69 -7.039 6.737 -1.896 446 H SER 70 H SER 70 -7.050 9.912 -6.053 447 HA SER 70 HA SER 70 -9.828 9.892 -6.948 448 2HB SER 70 2HB SER 70 -9.068 12.246 -7.822 449 HG SER 70 HG SER 70 -9.354 11.548 -5.092 450 H TYR 71 H TYR 71 -6.940 8.786 -8.069 451 HA TYR 71 HA TYR 71 -7.853 8.974 -10.858 452 2HB TYR 71 2HB TYR 71 -6.075 10.520 -10.837 453 HD1 TYR 71 HD1 TYR 71 -4.673 7.440 -9.241 454 HD2 TYR 71 HD2 TYR 71 -4.542 11.679 -9.569 455 HE1 TYR 71 HE1 TYR 71 -2.938 7.515 -7.500 456 HE2 TYR 71 HE2 TYR 71 -2.805 11.766 -7.829 457 HH TYR 71 HH TYR 71 -2.181 9.449 -5.739 458 H SER 72 H SER 72 -6.577 7.344 -12.250 459 HA SER 72 HA SER 72 -7.028 4.757 -11.142 460 2HB SER 72 2HB SER 72 -5.739 4.166 -13.416 461 HG SER 72 HG SER 72 -8.069 5.140 -14.214 462 HA PRO 73 HA PRO 73 -3.095 3.728 -9.489 463 2HB PRO 73 2HB PRO 73 -4.036 1.750 -8.799 464 2HG PRO 73 2HG PRO 73 -5.599 0.641 -10.116 465 2HD PRO 73 2HD PRO 73 -6.504 2.759 -10.125 466 HA PRO 74 HA PRO 74 -0.124 3.956 -12.748 467 2HB PRO 74 2HB PRO 74 1.299 4.851 -11.182 468 2HG PRO 74 2HG PRO 74 1.241 4.146 -8.966 469 2HD PRO 74 2HD PRO 74 -0.999 4.567 -9.308 470 HA PRO 75 HA PRO 75 0.391 -0.124 -14.339 471 2HB PRO 75 2HB PRO 75 0.784 0.874 -16.371 472 2HG PRO 75 2HG PRO 75 1.921 2.898 -16.514 473 2HD PRO 75 2HD PRO 75 0.358 3.433 -14.907 474 HA PRO 76 HA PRO 76 3.590 -1.727 -11.665 475 2HB PRO 76 2HB PRO 76 2.081 -3.363 -11.091 476 2HG PRO 76 2HG PRO 76 0.464 -4.084 -12.599 477 2HD PRO 76 2HD PRO 76 0.157 -1.804 -12.749 478 HA PRO 77 HA PRO 77 7.000 -2.774 -14.236 479 2HB PRO 77 2HB PRO 77 8.249 -3.075 -12.332 480 2HG PRO 77 2HG PRO 77 7.336 -4.081 -10.445 481 2HD PRO 77 2HD PRO 77 5.706 -2.511 -10.885 Start of MODEL 6 1 1H GLY 1 1H GLY 1 5.177 8.794 12.940 2 1HA GLY 1 2HA GLY 1 5.062 10.339 14.759 3 2HA GLY 1 1HA GLY 1 5.129 11.658 13.601 4 H ALA 2 H ALA 2 3.228 12.026 12.257 5 HA ALA 2 HA ALA 2 0.743 10.772 12.960 6 1HB ALA 2 1HB ALA 2 0.374 12.073 14.757 7 2HB ALA 2 2HB ALA 2 1.542 13.293 14.246 8 3HB ALA 2 3HB ALA 2 -0.080 13.279 13.553 9 H MET 3 H MET 3 -1.135 12.202 11.966 10 HA MET 3 HA MET 3 -1.113 12.122 9.303 11 2HB MET 3 2HB MET 3 -2.334 14.367 10.918 12 2HG MET 3 2HG MET 3 -3.718 13.407 8.523 13 1HE MET 3 1HE MET 3 -6.026 14.940 8.411 14 2HE MET 3 2HE MET 3 -5.580 14.144 9.921 15 3HE MET 3 3HE MET 3 -6.169 15.808 9.941 16 H GLY 4 H GLY 4 -0.549 13.397 7.537 17 1HA GLY 4 2HA GLY 4 0.324 15.898 7.253 18 2HA GLY 4 1HA GLY 4 1.722 15.156 8.018 19 HA PRO 5 HA PRO 5 2.312 14.718 3.473 20 2HB PRO 5 2HB PRO 5 3.761 16.501 3.466 21 2HG PRO 5 2HG PRO 5 4.884 17.142 5.399 22 2HD PRO 5 2HD PRO 5 2.732 17.016 6.214 23 H ARG 6 H ARG 6 3.009 12.974 6.176 24 HA ARG 6 HA ARG 6 5.033 11.272 5.860 25 2HB ARG 6 2HB ARG 6 3.516 9.416 6.647 26 2HG ARG 6 2HG ARG 6 3.262 12.055 8.073 27 2HD ARG 6 2HD ARG 6 2.778 10.752 10.059 28 HE ARG 6 HE ARG 6 0.909 11.143 8.167 29 1HH1 ARG 6 2HH1 ARG 6 1.538 8.490 10.332 30 2HH1 ARG 6 1HH1 ARG 6 -0.123 8.010 10.435 31 1HH2 ARG 6 2HH2 ARG 6 -1.281 10.521 8.294 32 2HH2 ARG 6 1HH2 ARG 6 -1.726 9.165 9.275 33 H GLU 7 H GLU 7 5.874 10.601 3.983 34 HA GLU 7 HA GLU 7 4.163 9.726 1.811 35 2HB GLU 7 2HB GLU 7 5.959 10.959 0.998 36 2HG GLU 7 2HG GLU 7 8.370 9.958 1.702 37 H VAL 8 H VAL 8 3.404 7.723 1.785 38 HA VAL 8 HA VAL 8 4.822 5.596 3.183 39 HB VAL 8 HB VAL 8 2.445 5.710 3.580 40 1HG1 VAL 8 1HG1 VAL 8 1.676 6.831 1.614 41 2HG1 VAL 8 2HG1 VAL 8 2.185 5.491 0.585 42 3HG1 VAL 8 3HG1 VAL 8 0.844 5.279 1.711 43 1HG2 VAL 8 1HG2 VAL 8 3.533 3.386 2.074 44 2HG2 VAL 8 2HG2 VAL 8 3.026 3.502 3.759 45 3HG2 VAL 8 3HG2 VAL 8 1.817 3.398 2.480 46 H THR 9 H THR 9 6.007 4.081 2.211 47 HA THR 9 HA THR 9 5.747 3.754 -0.706 48 HB THR 9 HB THR 9 8.119 3.516 -0.952 49 HG1 THR 9 HG1 THR 9 9.427 3.921 1.043 50 1HG2 THR 9 1HG2 THR 9 7.008 5.861 -0.599 51 2HG2 THR 9 2HG2 THR 9 8.764 5.720 -0.690 52 3HG2 THR 9 3HG2 THR 9 7.970 5.875 0.878 53 H MET 10 H MET 10 6.032 1.682 -1.527 54 HA MET 10 HA MET 10 6.073 -0.463 0.493 55 2HB MET 10 2HB MET 10 4.611 -1.753 -0.890 56 2HG MET 10 2HG MET 10 3.768 1.080 -0.531 57 1HE MET 10 1HE MET 10 3.110 -2.186 -2.194 58 2HE MET 10 2HE MET 10 1.737 -1.913 -3.266 59 3HE MET 10 3HE MET 10 3.289 -1.149 -3.608 60 H LYS 11 H LYS 11 7.995 -1.425 0.487 61 HA LYS 11 HA LYS 11 9.556 -1.586 -1.965 62 2HB LYS 11 2HB LYS 11 10.736 -2.928 0.310 63 2HG LYS 11 2HG LYS 11 11.708 -0.285 -0.606 64 2HD LYS 11 2HD LYS 11 12.851 -2.927 0.205 65 2HE LYS 11 2HE LYS 11 14.946 -1.161 -0.524 66 1HZ LYS 11 1HZ LYS 11 15.502 -3.358 -0.571 67 2HZ LYS 11 2HZ LYS 11 15.244 -3.104 -2.224 68 3HZ LYS 11 3HZ LYS 11 14.047 -3.845 -1.286 69 H LYS 12 H LYS 12 9.831 -3.378 -3.149 70 HA LYS 12 HA LYS 12 8.148 -5.533 -3.081 71 2HB LYS 12 2HB LYS 12 10.940 -6.057 -3.969 72 2HG LYS 12 2HG LYS 12 8.227 -6.778 -4.806 73 2HD LYS 12 2HD LYS 12 8.851 -5.355 -6.698 74 2HE LYS 12 2HE LYS 12 11.271 -7.150 -6.869 75 1HZ LYS 12 1HZ LYS 12 9.910 -5.929 -8.925 76 2HZ LYS 12 2HZ LYS 12 11.479 -6.558 -8.980 77 3HZ LYS 12 3HZ LYS 12 11.236 -4.922 -8.627 78 H GLY 13 H GLY 13 7.871 -7.225 -1.783 79 1HA GLY 13 2HA GLY 13 8.425 -9.013 -0.410 80 2HA GLY 13 1HA GLY 13 10.112 -8.532 -0.515 81 H ASP 14 H ASP 14 7.348 -6.597 0.552 82 HA ASP 14 HA ASP 14 8.431 -6.631 3.282 83 2HB ASP 14 2HB ASP 14 7.338 -4.047 2.319 84 H ILE 15 H ILE 15 6.920 -6.291 4.934 85 HA ILE 15 HA ILE 15 4.155 -6.803 4.119 86 HB ILE 15 HB ILE 15 5.287 -6.940 6.911 87 2HG1 ILE 15 2HG1 ILE 15 6.399 -8.473 5.184 88 1HG2 ILE 15 1HG2 ILE 15 3.005 -8.601 6.060 89 2HG2 ILE 15 2HG2 ILE 15 3.288 -7.750 7.577 90 3HG2 ILE 15 3HG2 ILE 15 2.706 -6.866 6.167 91 1HD1 ILE 15 1HD1 ILE 15 6.042 -8.911 7.763 92 2HD1 ILE 15 2HD1 ILE 15 5.034 -10.220 7.146 93 3HD1 ILE 15 3HD1 ILE 15 6.736 -10.129 6.693 94 H LEU 16 H LEU 16 2.485 -5.462 4.591 95 HA LEU 16 HA LEU 16 2.984 -3.110 6.263 96 2HB LEU 16 2HB LEU 16 2.487 -1.556 4.676 97 HG LEU 16 HG LEU 16 4.318 -3.339 3.700 98 1HD1 LEU 16 1HD1 LEU 16 1.956 -3.331 1.932 99 2HD1 LEU 16 2HD1 LEU 16 3.219 -4.544 2.140 100 3HD1 LEU 16 3HD1 LEU 16 3.522 -3.116 1.149 101 1HD2 LEU 16 1HD2 LEU 16 5.084 -1.276 3.332 102 2HD2 LEU 16 2HD2 LEU 16 3.458 -0.608 3.177 103 3HD2 LEU 16 3HD2 LEU 16 4.240 -1.362 1.786 104 H THR 17 H THR 17 1.401 -2.869 7.684 105 HA THR 17 HA THR 17 -0.738 -4.472 8.085 106 HB THR 17 HB THR 17 -0.645 -1.501 8.639 107 HG1 THR 17 HG1 THR 17 0.974 -2.481 9.772 108 1HG2 THR 17 1HG2 THR 17 -2.782 -1.717 9.260 109 2HG2 THR 17 2HG2 THR 17 -2.204 -2.741 10.574 110 3HG2 THR 17 3HG2 THR 17 -2.735 -3.467 9.058 111 H LEU 18 H LEU 18 -2.404 -5.030 6.859 112 HA LEU 18 HA LEU 18 -3.179 -3.699 4.515 113 2HB LEU 18 2HB LEU 18 -5.146 -5.398 5.954 114 HG LEU 18 HG LEU 18 -4.244 -6.248 3.303 115 1HD1 LEU 18 1HD1 LEU 18 -7.019 -5.536 4.181 116 2HD1 LEU 18 2HD1 LEU 18 -6.238 -7.022 4.719 117 3HD1 LEU 18 3HD1 LEU 18 -6.500 -6.738 2.999 118 1HD2 LEU 18 1HD2 LEU 18 -5.349 -3.502 3.748 119 2HD2 LEU 18 2HD2 LEU 18 -5.727 -4.396 2.276 120 3HD2 LEU 18 3HD2 LEU 18 -4.050 -4.023 2.675 121 H LEU 19 H LEU 19 -3.336 -1.496 5.414 122 HA LEU 19 HA LEU 19 -5.316 -0.704 7.231 123 2HB LEU 19 2HB LEU 19 -5.086 1.484 5.677 124 HG LEU 19 HG LEU 19 -4.359 1.625 7.944 125 1HD1 LEU 19 1HD1 LEU 19 -3.058 -0.739 7.476 126 2HD1 LEU 19 2HD1 LEU 19 -2.900 0.252 8.927 127 3HD1 LEU 19 3HD1 LEU 19 -1.728 0.411 7.619 128 1HD2 LEU 19 1HD2 LEU 19 -1.912 2.181 6.286 129 2HD2 LEU 19 2HD2 LEU 19 -2.471 3.030 7.727 130 3HD2 LEU 19 3HD2 LEU 19 -3.365 3.178 6.214 131 H ASN 20 H ASN 20 -6.976 1.099 6.287 132 HA ASN 20 HA ASN 20 -9.174 -0.192 5.358 133 2HB ASN 20 2HB ASN 20 -9.208 2.394 4.145 134 1HD2 ASN 20 1HD2 ASN 20 -11.352 1.602 4.082 135 2HD2 ASN 20 2HD2 ASN 20 -12.373 1.699 5.473 136 H SER 21 H SER 21 -9.250 -1.534 3.669 137 HA SER 21 HA SER 21 -7.925 -0.781 1.168 138 2HB SER 21 2HB SER 21 -8.189 -3.221 2.521 139 HG SER 21 HG SER 21 -9.666 -3.234 0.095 140 H THR 22 H THR 22 -10.655 0.100 2.390 141 HA THR 22 HA THR 22 -12.851 -0.712 1.071 142 HB THR 22 HB THR 22 -13.012 1.144 2.581 143 HG1 THR 22 HG1 THR 22 -14.702 1.645 1.420 144 1HG2 THR 22 1HG2 THR 22 -11.993 3.218 2.321 145 2HG2 THR 22 2HG2 THR 22 -11.754 2.994 0.588 146 3HG2 THR 22 3HG2 THR 22 -10.755 2.108 1.738 147 H ASN 23 H ASN 23 -10.324 1.355 -0.307 148 HA ASN 23 HA ASN 23 -11.612 1.725 -2.811 149 2HB ASN 23 2HB ASN 23 -8.919 2.054 -3.319 150 1HD2 ASN 23 1HD2 ASN 23 -10.298 3.255 -4.766 151 2HD2 ASN 23 2HD2 ASN 23 -10.772 4.864 -4.351 152 H LYS 24 H LYS 24 -11.888 0.298 -4.381 153 HA LYS 24 HA LYS 24 -10.704 -2.292 -4.305 154 2HB LYS 24 2HB LYS 24 -11.777 -1.821 -6.882 155 2HG LYS 24 2HG LYS 24 -13.621 -2.876 -4.856 156 2HD LYS 24 2HD LYS 24 -13.426 -4.848 -6.502 157 2HE LYS 24 2HE LYS 24 -14.510 -2.135 -7.188 158 1HZ LYS 24 1HZ LYS 24 -15.849 -3.502 -8.881 159 2HZ LYS 24 2HZ LYS 24 -14.549 -4.583 -8.831 160 3HZ LYS 24 3HZ LYS 24 -14.299 -2.980 -9.314 161 H ASP 25 H ASP 25 -10.098 0.646 -6.143 162 HA ASP 25 HA ASP 25 -8.029 -0.657 -7.723 163 2HB ASP 25 2HB ASP 25 -7.843 1.490 -8.885 164 H TRP 26 H TRP 26 -8.194 0.541 -4.691 165 HA TRP 26 HA TRP 26 -5.325 0.882 -4.544 166 2HB TRP 26 2HB TRP 26 -5.524 3.063 -3.324 167 HD1 TRP 26 HD1 TRP 26 -7.660 3.249 -6.543 168 HE1 TRP 26 HE1 TRP 26 -6.274 4.449 -8.351 169 HE3 TRP 26 HE3 TRP 26 -3.261 3.757 -3.990 170 HZ2 TRP 26 HZ2 TRP 26 -3.661 5.473 -8.654 171 HZ3 TRP 26 HZ3 TRP 26 -1.367 4.857 -5.110 172 HH2 TRP 26 HH2 TRP 26 -1.565 5.697 -7.393 173 H TRP 27 H TRP 27 -4.618 -0.107 -2.774 174 HA TRP 27 HA TRP 27 -6.531 -0.572 -0.585 175 2HB TRP 27 2HB TRP 27 -4.544 -2.350 -0.093 176 HD1 TRP 27 HD1 TRP 27 -7.881 -1.714 -1.618 177 HE1 TRP 27 HE1 TRP 27 -9.269 -3.882 -1.644 178 HE3 TRP 27 HE3 TRP 27 -4.192 -5.056 -0.450 179 HZ2 TRP 27 HZ2 TRP 27 -8.856 -6.643 -1.226 180 HZ3 TRP 27 HZ3 TRP 27 -4.772 -7.441 -0.282 181 HH2 TRP 27 HH2 TRP 27 -7.056 -8.216 -0.661 182 H LYS 28 H LYS 28 -6.227 0.877 0.981 183 HA LYS 28 HA LYS 28 -3.890 2.328 1.467 184 2HB LYS 28 2HB LYS 28 -5.805 1.717 3.686 185 2HG LYS 28 2HG LYS 28 -4.873 4.409 2.765 186 2HD LYS 28 2HD LYS 28 -5.524 3.442 5.538 187 2HE LYS 28 2HE LYS 28 -5.066 6.069 4.208 188 1HZ LYS 28 1HZ LYS 28 -7.048 5.540 6.305 189 2HZ LYS 28 2HZ LYS 28 -7.084 6.675 5.052 190 3HZ LYS 28 3HZ LYS 28 -6.117 6.949 6.413 191 H VAL 29 H VAL 29 -2.076 1.938 2.589 192 HA VAL 29 HA VAL 29 -1.987 -0.270 4.497 193 HB VAL 29 HB VAL 29 0.019 -1.243 3.528 194 1HG1 VAL 29 1HG1 VAL 29 -2.350 -1.904 2.802 195 2HG1 VAL 29 2HG1 VAL 29 -1.972 -1.078 1.290 196 3HG1 VAL 29 3HG1 VAL 29 -1.000 -2.455 1.810 197 1HG2 VAL 29 1HG2 VAL 29 0.589 -0.528 1.133 198 2HG2 VAL 29 2HG2 VAL 29 -0.311 0.944 1.497 199 3HG2 VAL 29 3HG2 VAL 29 1.113 0.523 2.448 200 H GLU 30 H GLU 30 -0.587 0.056 6.159 201 HA GLU 30 HA GLU 30 0.752 2.653 6.231 202 2HB GLU 30 2HB GLU 30 0.096 0.655 8.399 203 2HG GLU 30 2HG GLU 30 0.697 3.150 9.527 204 H VAL 31 H VAL 31 2.929 2.901 6.783 205 HA VAL 31 HA VAL 31 4.567 0.456 6.611 206 HB VAL 31 HB VAL 31 5.099 3.127 5.306 207 1HG1 VAL 31 1HG1 VAL 31 7.239 2.622 5.882 208 2HG1 VAL 31 2HG1 VAL 31 6.914 0.893 6.015 209 3HG1 VAL 31 3HG1 VAL 31 7.121 1.632 4.428 210 1HG2 VAL 31 1HG2 VAL 31 4.483 2.192 3.366 211 2HG2 VAL 31 2HG2 VAL 31 5.296 0.671 3.730 212 3HG2 VAL 31 3HG2 VAL 31 3.682 0.982 4.368 213 H ASN 32 H ASN 32 4.306 0.745 9.022 214 HA ASN 32 HA ASN 32 5.375 1.099 11.005 215 2HB ASN 32 2HB ASN 32 7.626 1.884 11.053 216 1HD2 ASN 32 1HD2 ASN 32 7.648 1.579 7.628 217 2HD2 ASN 32 2HD2 ASN 32 8.173 -0.065 7.560 218 H ASP 33 H ASP 33 6.067 4.076 9.167 219 HA ASP 33 HA ASP 33 4.406 5.551 11.100 220 2HB ASP 33 2HB ASP 33 6.037 7.413 10.992 221 H ARG 34 H ARG 34 5.456 5.067 7.845 222 HA ARG 34 HA ARG 34 3.897 7.369 6.910 223 2HB ARG 34 2HB ARG 34 5.123 7.328 4.947 224 2HG ARG 34 2HG ARG 34 6.885 6.283 7.126 225 2HD ARG 34 2HD ARG 34 7.442 6.092 4.350 226 HE ARG 34 HE ARG 34 8.348 8.548 5.171 227 1HH1 ARG 34 2HH1 ARG 34 9.804 5.581 4.075 228 2HH1 ARG 34 1HH1 ARG 34 11.178 6.364 3.369 229 1HH2 ARG 34 2HH2 ARG 34 10.153 9.590 4.245 230 2HH2 ARG 34 1HH2 ARG 34 11.377 8.644 3.468 231 H GLN 35 H GLN 35 1.882 7.063 6.254 232 HA GLN 35 HA GLN 35 1.153 4.462 5.085 233 2HB GLN 35 2HB GLN 35 -0.564 4.131 6.510 234 2HG GLN 35 2HG GLN 35 0.807 6.288 8.102 235 1HE2 GLN 35 1HE2 GLN 35 0.803 5.271 10.485 236 2HE2 GLN 35 2HE2 GLN 35 -0.787 4.952 11.078 237 H GLY 36 H GLY 36 -1.219 4.744 4.116 238 1HA GLY 36 2HA GLY 36 -2.390 6.933 3.158 239 2HA GLY 36 1HA GLY 36 -0.942 6.888 2.163 240 H PHE 37 H PHE 37 -2.528 6.730 0.400 241 HA PHE 37 HA PHE 37 -3.766 4.091 0.133 242 2HB PHE 37 2HB PHE 37 -4.797 5.184 -1.946 243 HD1 PHE 37 HD1 PHE 37 -6.697 4.154 -0.935 244 HD2 PHE 37 HD2 PHE 37 -4.975 7.658 0.761 245 HE1 PHE 37 HE1 PHE 37 -8.681 4.433 0.493 246 HE2 PHE 37 HE2 PHE 37 -6.955 7.942 2.194 247 HZ PHE 37 HZ PHE 37 -8.811 6.328 2.062 248 H VAL 38 H VAL 38 -3.130 2.614 -1.343 249 HA VAL 38 HA VAL 38 -1.161 3.383 -3.371 250 HB VAL 38 HB VAL 38 0.048 1.170 -2.812 251 1HG1 VAL 38 1HG1 VAL 38 1.428 2.931 -2.465 252 2HG1 VAL 38 2HG1 VAL 38 0.246 3.807 -1.490 253 3HG1 VAL 38 3HG1 VAL 38 1.179 2.492 -0.776 254 1HG2 VAL 38 1HG2 VAL 38 -1.588 0.314 -1.228 255 2HG2 VAL 38 2HG2 VAL 38 -0.027 0.540 -0.440 256 3HG2 VAL 38 3HG2 VAL 38 -1.323 1.707 -0.178 257 HA PRO 39 HA PRO 39 -3.405 0.705 -6.027 258 2HB PRO 39 2HB PRO 39 -2.044 1.436 -7.728 259 2HG PRO 39 2HG PRO 39 0.216 1.845 -7.363 260 2HD PRO 39 2HD PRO 39 -0.691 3.035 -5.610 261 H ALA 40 H ALA 40 -4.255 -1.165 -5.374 262 HA ALA 40 HA ALA 40 -3.030 -3.106 -3.821 263 1HB ALA 40 1HB ALA 40 -5.045 -4.068 -3.832 264 2HB ALA 40 2HB ALA 40 -5.559 -2.696 -4.815 265 3HB ALA 40 3HB ALA 40 -5.067 -4.201 -5.591 266 H ALA 41 H ALA 41 -2.785 -2.546 -7.210 267 HA ALA 41 HA ALA 41 -2.067 -5.140 -8.068 268 1HB ALA 41 1HB ALA 41 -1.955 -4.191 -10.083 269 2HB ALA 41 2HB ALA 41 -2.496 -2.710 -9.291 270 3HB ALA 41 3HB ALA 41 -0.774 -2.995 -9.547 271 H TYR 42 H TYR 42 -0.355 -2.708 -6.329 272 HA TYR 42 HA TYR 42 2.243 -3.909 -6.907 273 2HB TYR 42 2HB TYR 42 3.062 -2.029 -5.388 274 HD1 TYR 42 HD1 TYR 42 0.520 -1.708 -8.111 275 HD2 TYR 42 HD2 TYR 42 4.380 -0.639 -6.676 276 HE1 TYR 42 HE1 TYR 42 0.963 -0.509 -10.213 277 HE2 TYR 42 HE2 TYR 42 4.833 0.564 -8.773 278 HH TYR 42 HH TYR 42 3.963 0.409 -11.207 279 H VAL 43 H VAL 43 -0.263 -4.344 -4.759 280 HA VAL 43 HA VAL 43 1.535 -5.656 -2.831 281 HB VAL 43 HB VAL 43 -0.321 -5.122 -1.112 282 1HG1 VAL 43 1HG1 VAL 43 1.226 -3.756 -0.287 283 2HG1 VAL 43 2HG1 VAL 43 2.065 -3.854 -1.836 284 3HG1 VAL 43 3HG1 VAL 43 0.908 -2.557 -1.539 285 1HG2 VAL 43 1HG2 VAL 43 -2.015 -4.251 -2.533 286 2HG2 VAL 43 2HG2 VAL 43 -1.403 -2.899 -1.580 287 3HG2 VAL 43 3HG2 VAL 43 -0.901 -3.092 -3.259 288 H LYS 44 H LYS 44 0.073 -7.121 -1.329 289 HA LYS 44 HA LYS 44 -2.256 -8.283 -2.428 290 2HB LYS 44 2HB LYS 44 0.375 -9.500 -3.147 291 2HG LYS 44 2HG LYS 44 -1.347 -11.527 -3.708 292 2HD LYS 44 2HD LYS 44 -0.239 -12.736 -1.849 293 2HE LYS 44 2HE LYS 44 2.148 -11.499 -2.649 294 1HZ LYS 44 1HZ LYS 44 1.347 -13.470 -4.492 295 2HZ LYS 44 2HZ LYS 44 0.862 -13.945 -2.943 296 3HZ LYS 44 3HZ LYS 44 2.487 -13.588 -3.248 297 H LYS 45 H LYS 45 -3.227 -9.680 -1.001 298 HA LYS 45 HA LYS 45 -2.367 -9.614 1.684 299 2HB LYS 45 2HB LYS 45 -4.182 -11.720 1.498 300 2HG LYS 45 2HG LYS 45 -5.201 -8.925 1.620 301 2HD LYS 45 2HD LYS 45 -6.205 -10.103 3.750 302 2HE LYS 45 2HE LYS 45 -7.096 -9.640 1.144 303 1HZ LYS 45 1HZ LYS 45 -8.529 -12.034 1.853 304 2HZ LYS 45 2HZ LYS 45 -6.945 -12.325 1.340 305 3HZ LYS 45 3HZ LYS 45 -8.018 -11.488 0.335 306 H LEU 46 H LEU 46 -1.345 -11.093 2.959 307 HA LEU 46 HA LEU 46 0.010 -13.276 1.560 308 2HB LEU 46 2HB LEU 46 1.447 -13.364 3.567 309 HG LEU 46 HG LEU 46 1.283 -10.942 1.913 310 1HD1 LEU 46 1HD1 LEU 46 3.047 -10.797 4.326 311 2HD1 LEU 46 2HD1 LEU 46 1.399 -10.173 4.376 312 3HD1 LEU 46 3HD1 LEU 46 2.555 -9.514 3.220 313 1HD2 LEU 46 1HD2 LEU 46 3.110 -11.872 1.069 314 2HD2 LEU 46 2HD2 LEU 46 2.908 -13.213 2.198 315 3HD2 LEU 46 3HD2 LEU 46 3.910 -11.830 2.640 316 H ASP 47 H ASP 47 -0.433 -15.360 1.921 317 HA ASP 47 HA ASP 47 -2.705 -16.093 3.467 318 2HB ASP 47 2HB ASP 47 -0.725 -17.507 1.761 319 H SER 48 H SER 48 -2.532 -15.815 5.625 320 HA SER 48 HA SER 48 -0.341 -17.245 6.982 321 2HB SER 48 2HB SER 48 -0.976 -15.411 8.838 322 HG SER 48 HG SER 48 1.105 -15.721 7.942 323 H GLY 49 H GLY 49 -3.686 -16.831 6.582 324 1HA GLY 49 2HA GLY 49 -5.531 -17.596 7.742 325 2HA GLY 49 1HA GLY 49 -4.530 -19.028 7.938 326 H THR 50 H THR 50 -4.435 -15.751 9.338 327 HA THR 50 HA THR 50 -4.540 -17.000 12.004 328 HB THR 50 HB THR 50 -2.255 -16.125 11.387 329 HG1 THR 50 HG1 THR 50 -3.239 -16.243 13.607 330 1HG2 THR 50 1HG2 THR 50 -3.081 -13.363 11.973 331 2HG2 THR 50 2HG2 THR 50 -3.583 -13.972 10.396 332 3HG2 THR 50 3HG2 THR 50 -1.876 -13.970 10.838 333 H GLY 51 H GLY 51 -5.404 -14.291 9.957 334 1HA GLY 51 2HA GLY 51 -7.718 -13.462 10.407 335 2HA GLY 51 1HA GLY 51 -7.219 -13.342 12.088 336 H LYS 52 H LYS 52 -4.597 -12.298 11.555 337 HA LYS 52 HA LYS 52 -5.142 -9.556 11.558 338 2HB LYS 52 2HB LYS 52 -2.605 -9.395 11.057 339 2HG LYS 52 2HG LYS 52 -3.992 -10.022 13.420 340 2HD LYS 52 2HD LYS 52 -1.716 -11.102 14.406 341 2HE LYS 52 2HE LYS 52 -3.028 -13.360 14.071 342 1HZ LYS 52 1HZ LYS 52 -4.683 -12.522 15.780 343 2HZ LYS 52 2HZ LYS 52 -3.902 -11.027 15.663 344 3HZ LYS 52 3HZ LYS 52 -3.045 -12.391 16.179 345 H GLU 53 H GLU 53 -4.982 -7.951 10.026 346 HA GLU 53 HA GLU 53 -5.200 -8.849 7.260 347 2HB GLU 53 2HB GLU 53 -6.263 -6.829 6.792 348 2HG GLU 53 2HG GLU 53 -7.456 -8.196 8.603 349 H LEU 54 H LEU 54 -3.150 -9.253 6.547 350 HA LEU 54 HA LEU 54 -1.300 -6.961 6.535 351 2HB LEU 54 2HB LEU 54 -0.124 -8.405 7.849 352 HG LEU 54 HG LEU 54 -1.747 -10.317 7.746 353 1HD1 LEU 54 1HD1 LEU 54 -0.533 -12.049 5.989 354 2HD1 LEU 54 2HD1 LEU 54 -0.574 -10.532 5.092 355 3HD1 LEU 54 3HD1 LEU 54 -2.067 -11.217 5.733 356 1HD2 LEU 54 1HD2 LEU 54 0.293 -12.041 7.819 357 2HD2 LEU 54 2HD2 LEU 54 -0.038 -10.892 9.116 358 3HD2 LEU 54 3HD2 LEU 54 1.199 -10.530 7.912 359 H VAL 55 H VAL 55 0.119 -6.819 4.681 360 HA VAL 55 HA VAL 55 -0.584 -8.402 2.343 361 HB VAL 55 HB VAL 55 -0.626 -5.992 1.139 362 1HG1 VAL 55 1HG1 VAL 55 -3.214 -6.230 1.398 363 2HG1 VAL 55 2HG1 VAL 55 -2.292 -7.471 0.547 364 3HG1 VAL 55 3HG1 VAL 55 -2.797 -7.735 2.216 365 1HG2 VAL 55 1HG2 VAL 55 -0.524 -4.702 3.169 366 2HG2 VAL 55 2HG2 VAL 55 -2.125 -4.513 2.453 367 3HG2 VAL 55 3HG2 VAL 55 -1.899 -5.577 3.841 368 H LEU 56 H LEU 56 1.143 -8.768 1.093 369 HA LEU 56 HA LEU 56 3.653 -7.487 1.804 370 2HB LEU 56 2HB LEU 56 2.998 -9.775 -0.044 371 HG LEU 56 HG LEU 56 5.568 -8.403 0.358 372 1HD1 LEU 56 1HD1 LEU 56 5.217 -11.097 1.307 373 2HD1 LEU 56 2HD1 LEU 56 6.647 -10.065 1.356 374 3HD1 LEU 56 3HD1 LEU 56 6.324 -11.057 -0.067 375 1HD2 LEU 56 1HD2 LEU 56 4.051 -9.198 -1.767 376 2HD2 LEU 56 2HD2 LEU 56 5.267 -10.473 -1.690 377 3HD2 LEU 56 3HD2 LEU 56 5.765 -8.787 -1.840 378 H ALA 57 H ALA 57 5.079 -6.572 0.228 379 HA ALA 57 HA ALA 57 3.630 -5.128 -1.854 380 1HB ALA 57 1HB ALA 57 6.509 -4.621 -1.357 381 2HB ALA 57 2HB ALA 57 5.198 -3.489 -1.692 382 3HB ALA 57 3HB ALA 57 5.369 -4.189 -0.081 383 H LEU 58 H LEU 58 3.539 -6.020 -3.804 384 HA LEU 58 HA LEU 58 5.486 -7.966 -4.667 385 2HB LEU 58 2HB LEU 58 4.050 -8.456 -6.402 386 HG LEU 58 HG LEU 58 2.119 -7.201 -4.451 387 1HD1 LEU 58 1HD1 LEU 58 0.552 -8.882 -5.394 388 2HD1 LEU 58 2HD1 LEU 58 1.747 -9.238 -6.640 389 3HD1 LEU 58 3HD1 LEU 58 1.028 -7.630 -6.541 390 1HD2 LEU 58 1HD2 LEU 58 2.312 -9.006 -3.125 391 2HD2 LEU 58 2HD2 LEU 58 3.900 -9.157 -3.877 392 3HD2 LEU 58 3HD2 LEU 58 2.544 -10.109 -4.481 393 H TYR 59 H TYR 59 4.667 -4.625 -5.387 394 HA TYR 59 HA TYR 59 7.095 -4.464 -7.048 395 2HB TYR 59 2HB TYR 59 6.043 -2.999 -8.572 396 HD1 TYR 59 HD1 TYR 59 2.846 -3.339 -8.797 397 HD2 TYR 59 HD2 TYR 59 6.163 -5.982 -8.447 398 HE1 TYR 59 HE1 TYR 59 1.557 -5.099 -9.933 399 HE2 TYR 59 HE2 TYR 59 4.883 -7.748 -9.584 400 HH TYR 59 HH TYR 59 2.572 -7.461 -11.410 401 H ASP 60 H ASP 60 7.596 -1.954 -7.351 402 HA ASP 60 HA ASP 60 7.840 -0.903 -4.626 403 2HB ASP 60 2HB ASP 60 9.981 -0.984 -5.504 404 H TYR 61 H TYR 61 6.674 0.782 -3.992 405 HA TYR 61 HA TYR 61 5.581 2.589 -6.044 406 2HB TYR 61 2HB TYR 61 4.174 1.680 -3.523 407 HD1 TYR 61 HD1 TYR 61 2.503 2.367 -6.671 408 HD2 TYR 61 HD2 TYR 61 3.630 4.019 -2.915 409 HE1 TYR 61 HE1 TYR 61 0.890 4.196 -6.997 410 HE2 TYR 61 HE2 TYR 61 2.019 5.851 -3.231 411 HH TYR 61 HH TYR 61 0.033 6.362 -4.477 412 H GLN 62 H GLN 62 4.807 4.699 -5.024 413 HA GLN 62 HA GLN 62 6.251 5.511 -2.645 414 2HB GLN 62 2HB GLN 62 6.935 6.495 -5.397 415 2HG GLN 62 2HG GLN 62 6.392 8.476 -3.983 416 1HE2 GLN 62 1HE2 GLN 62 5.954 7.969 -1.792 417 2HE2 GLN 62 2HE2 GLN 62 7.183 8.117 -0.587 418 H GLU 63 H GLU 63 4.812 6.609 -1.502 419 HA GLU 63 HA GLU 63 2.868 8.297 -2.934 420 2HB GLU 63 2HB GLU 63 2.214 7.544 -0.170 421 2HG GLU 63 2HG GLU 63 0.073 7.556 -0.875 422 H SER 64 H SER 64 2.663 10.396 -2.367 423 HA SER 64 HA SER 64 4.416 11.366 -0.206 424 2HB SER 64 2HB SER 64 5.147 12.154 -2.393 425 HG SER 64 HG SER 64 2.444 12.901 -2.634 426 H GLY 65 H GLY 65 2.870 11.220 1.433 427 1HA GLY 65 2HA GLY 65 1.401 12.374 2.830 428 2HA GLY 65 1HA GLY 65 1.005 13.442 1.491 429 H ASP 66 H ASP 66 -0.009 10.821 3.366 430 HA ASP 66 HA ASP 66 -1.538 9.174 1.913 431 2HB ASP 66 2HB ASP 66 -2.810 8.782 3.793 432 H ASN 67 H ASN 67 -2.545 9.699 0.067 433 HA ASN 67 HA ASN 67 -4.574 11.832 0.187 434 2HB ASN 67 2HB ASN 67 -2.456 11.294 -1.813 435 1HD2 ASN 67 1HD2 ASN 67 -3.719 9.880 -3.202 436 2HD2 ASN 67 2HD2 ASN 67 -4.804 10.586 -4.347 437 H ALA 68 H ALA 68 -6.470 11.513 -1.084 438 HA ALA 68 HA ALA 68 -7.346 8.782 -1.122 439 1HB ALA 68 1HB ALA 68 -9.050 10.192 -0.491 440 2HB ALA 68 2HB ALA 68 -8.620 11.422 -1.681 441 3HB ALA 68 3HB ALA 68 -9.425 9.940 -2.196 442 HA PRO 69 HA PRO 69 -6.283 7.799 -5.288 443 2HB PRO 69 2HB PRO 69 -6.530 5.600 -4.664 444 2HG PRO 69 2HG PRO 69 -8.131 4.969 -3.102 445 2HD PRO 69 2HD PRO 69 -7.127 6.702 -1.962 446 H SER 70 H SER 70 -7.218 9.869 -6.035 447 HA SER 70 HA SER 70 -9.957 9.768 -7.008 448 2HB SER 70 2HB SER 70 -8.067 12.030 -7.574 449 HG SER 70 HG SER 70 -10.517 11.720 -8.079 450 H TYR 71 H TYR 71 -7.049 8.692 -8.099 451 HA TYR 71 HA TYR 71 -7.936 8.860 -10.896 452 2HB TYR 71 2HB TYR 71 -6.172 10.427 -10.851 453 HD1 TYR 71 HD1 TYR 71 -4.729 7.341 -9.300 454 HD2 TYR 71 HD2 TYR 71 -4.678 11.588 -9.543 455 HE1 TYR 71 HE1 TYR 71 -3.000 7.414 -7.552 456 HE2 TYR 71 HE2 TYR 71 -2.947 11.673 -7.796 457 HH TYR 71 HH TYR 71 -1.062 9.310 -6.958 458 H SER 72 H SER 72 -6.632 7.236 -12.268 459 HA SER 72 HA SER 72 -7.064 4.649 -11.149 460 2HB SER 72 2HB SER 72 -7.478 4.971 -13.500 461 HG SER 72 HG SER 72 -4.769 5.330 -14.083 462 HA PRO 73 HA PRO 73 -3.122 3.694 -9.471 463 2HB PRO 73 2HB PRO 73 -4.054 1.731 -8.725 464 2HG PRO 73 2HG PRO 73 -5.618 0.583 -10.007 465 2HD PRO 73 2HD PRO 73 -6.532 2.698 -10.067 466 HA PRO 74 HA PRO 74 -0.157 3.838 -12.738 467 2HB PRO 74 2HB PRO 74 1.278 4.749 -11.192 468 2HG PRO 74 2HG PRO 74 1.223 4.081 -8.965 469 2HD PRO 74 2HD PRO 74 -1.015 4.510 -9.305 470 HA PRO 75 HA PRO 75 0.314 -0.274 -14.260 471 2HB PRO 75 2HB PRO 75 0.681 0.685 -16.316 472 2HG PRO 75 2HG PRO 75 1.821 2.702 -16.512 473 2HD PRO 75 2HD PRO 75 0.282 3.271 -14.893 474 HA PRO 76 HA PRO 76 3.545 -1.849 -11.610 475 2HB PRO 76 2HB PRO 76 2.045 -3.484 -11.010 476 2HG PRO 76 2HG PRO 76 0.419 -4.223 -12.498 477 2HD PRO 76 2HD PRO 76 0.103 -1.946 -12.665 478 HA PRO 77 HA PRO 77 6.936 -2.908 -14.200 479 2HB PRO 77 2HB PRO 77 8.201 -3.188 -12.303 480 2HG PRO 77 2HG PRO 77 7.307 -4.180 -10.400 481 2HD PRO 77 2HD PRO 77 5.669 -2.621 -10.842 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -1.836 15.404 -7.579 2 1HA GLY 1 2HA GLY 1 -1.141 17.460 -5.803 3 2HA GLY 1 1HA GLY 1 -2.636 16.538 -5.751 4 H ALA 2 H ALA 2 0.802 15.825 -5.119 5 HA ALA 2 HA ALA 2 -0.018 14.376 -2.707 6 1HB ALA 2 1HB ALA 2 2.808 14.248 -3.337 7 2HB ALA 2 2HB ALA 2 1.633 12.946 -3.142 8 3HB ALA 2 3HB ALA 2 1.801 13.757 -4.699 9 H MET 3 H MET 3 -0.265 15.865 -1.111 10 HA MET 3 HA MET 3 2.125 17.429 -0.406 11 2HB MET 3 2HB MET 3 0.015 18.906 0.597 12 2HG MET 3 2HG MET 3 1.578 19.255 -1.942 13 1HE MET 3 1HE MET 3 2.181 21.449 -2.617 14 2HE MET 3 2HE MET 3 0.820 21.984 -3.602 15 3HE MET 3 3HE MET 3 1.359 22.963 -2.238 16 H GLY 4 H GLY 4 2.857 16.280 1.300 17 1HA GLY 4 2HA GLY 4 1.637 16.491 3.803 18 2HA GLY 4 1HA GLY 4 1.226 14.911 3.154 19 HA PRO 5 HA PRO 5 5.685 15.234 4.963 20 2HB PRO 5 2HB PRO 5 5.309 16.355 6.932 21 2HG PRO 5 2HG PRO 5 3.198 16.393 7.908 22 2HD PRO 5 2HD PRO 5 2.651 17.007 5.754 23 H ARG 6 H ARG 6 2.919 13.174 5.563 24 HA ARG 6 HA ARG 6 4.567 10.860 6.153 25 2HB ARG 6 2HB ARG 6 2.340 11.300 7.253 26 2HG ARG 6 2HG ARG 6 0.998 10.060 4.918 27 2HD ARG 6 2HD ARG 6 0.208 10.825 7.420 28 HE ARG 6 HE ARG 6 0.192 13.225 6.117 29 1HH1 ARG 6 2HH1 ARG 6 -2.243 11.135 7.467 30 2HH1 ARG 6 1HH1 ARG 6 -3.325 12.431 7.856 31 1HH2 ARG 6 2HH2 ARG 6 -1.224 14.940 6.624 32 2HH2 ARG 6 1HH2 ARG 6 -2.745 14.595 7.376 33 H GLU 7 H GLU 7 5.537 9.815 4.551 34 HA GLU 7 HA GLU 7 4.100 9.529 1.994 35 2HB GLU 7 2HB GLU 7 6.370 9.342 0.943 36 2HG GLU 7 2HG GLU 7 5.043 11.676 1.732 37 H VAL 8 H VAL 8 3.364 7.525 1.796 38 HA VAL 8 HA VAL 8 4.760 5.314 3.091 39 HB VAL 8 HB VAL 8 2.184 5.718 3.098 40 1HG1 VAL 8 1HG1 VAL 8 2.466 4.186 0.517 41 2HG1 VAL 8 2HG1 VAL 8 0.966 4.672 1.310 42 3HG1 VAL 8 3HG1 VAL 8 2.039 5.894 0.625 43 1HG2 VAL 8 1HG2 VAL 8 3.466 3.744 3.993 44 2HG2 VAL 8 2HG2 VAL 8 1.814 3.401 3.480 45 3HG2 VAL 8 3HG2 VAL 8 3.169 2.947 2.448 46 H THR 9 H THR 9 6.125 4.047 2.032 47 HA THR 9 HA THR 9 5.857 3.807 -0.892 48 HB THR 9 HB THR 9 8.333 3.622 -1.030 49 HG1 THR 9 HG1 THR 9 8.428 4.716 1.581 50 1HG2 THR 9 1HG2 THR 9 8.187 5.769 -1.605 51 2HG2 THR 9 2HG2 THR 9 8.389 6.215 0.089 52 3HG2 THR 9 3HG2 THR 9 6.773 5.975 -0.573 53 H MET 10 H MET 10 5.424 1.787 -1.462 54 HA MET 10 HA MET 10 5.955 -0.401 0.365 55 2HB MET 10 2HB MET 10 4.457 -1.651 -0.881 56 2HG MET 10 2HG MET 10 3.634 1.161 -1.566 57 1HE MET 10 1HE MET 10 1.220 -0.059 -4.123 58 2HE MET 10 2HE MET 10 2.327 1.186 -3.544 59 3HE MET 10 3HE MET 10 2.953 -0.380 -4.065 60 H LYS 11 H LYS 11 7.918 -1.274 0.377 61 HA LYS 11 HA LYS 11 9.545 -1.277 -2.037 62 2HB LYS 11 2HB LYS 11 11.348 -2.064 -0.568 63 2HG LYS 11 2HG LYS 11 10.121 0.439 -0.366 64 2HD LYS 11 2HD LYS 11 10.867 -0.698 2.326 65 2HE LYS 11 2HE LYS 11 10.524 1.591 3.176 66 1HZ LYS 11 1HZ LYS 11 12.637 2.366 2.674 67 2HZ LYS 11 2HZ LYS 11 12.617 1.745 1.101 68 3HZ LYS 11 3HZ LYS 11 12.782 0.699 2.420 69 H LYS 12 H LYS 12 9.695 -2.963 -3.354 70 HA LYS 12 HA LYS 12 8.198 -5.214 -3.336 71 2HB LYS 12 2HB LYS 12 11.051 -5.386 -4.263 72 2HG LYS 12 2HG LYS 12 8.482 -6.622 -5.022 73 2HD LYS 12 2HD LYS 12 10.340 -5.400 -6.969 74 2HE LYS 12 2HE LYS 12 10.351 -8.132 -6.879 75 1HZ LYS 12 1HZ LYS 12 8.501 -8.912 -7.785 76 2HZ LYS 12 2HZ LYS 12 8.933 -8.158 -9.236 77 3HZ LYS 12 3HZ LYS 12 7.926 -7.360 -8.137 78 H GLY 13 H GLY 13 7.923 -6.737 -1.848 79 1HA GLY 13 2HA GLY 13 8.613 -8.637 -0.642 80 2HA GLY 13 1HA GLY 13 10.269 -8.055 -0.716 81 H ASP 14 H ASP 14 7.216 -6.686 0.512 82 HA ASP 14 HA ASP 14 8.319 -6.639 3.205 83 2HB ASP 14 2HB ASP 14 7.126 -4.061 2.366 84 H ILE 15 H ILE 15 6.758 -6.467 4.831 85 HA ILE 15 HA ILE 15 4.023 -6.988 3.908 86 HB ILE 15 HB ILE 15 5.192 -7.456 6.653 87 2HG1 ILE 15 2HG1 ILE 15 6.119 -8.815 4.652 88 1HG2 ILE 15 1HG2 ILE 15 2.542 -7.313 5.820 89 2HG2 ILE 15 2HG2 ILE 15 2.890 -9.038 5.922 90 3HG2 ILE 15 3HG2 ILE 15 3.143 -8.003 7.327 91 1HD1 ILE 15 1HD1 ILE 15 6.537 -9.581 6.886 92 2HD1 ILE 15 2HD1 ILE 15 4.903 -10.236 7.007 93 3HD1 ILE 15 3HD1 ILE 15 6.058 -10.950 5.882 94 H LEU 16 H LEU 16 2.668 -5.330 3.941 95 HA LEU 16 HA LEU 16 3.002 -3.278 6.029 96 2HB LEU 16 2HB LEU 16 2.454 -1.628 4.556 97 HG LEU 16 HG LEU 16 4.313 -3.294 3.454 98 1HD1 LEU 16 1HD1 LEU 16 3.482 -2.967 0.928 99 2HD1 LEU 16 2HD1 LEU 16 1.930 -3.258 1.712 100 3HD1 LEU 16 3HD1 LEU 16 3.224 -4.449 1.849 101 1HD2 LEU 16 1HD2 LEU 16 3.413 -0.568 3.162 102 2HD2 LEU 16 2HD2 LEU 16 4.068 -1.189 1.646 103 3HD2 LEU 16 3HD2 LEU 16 5.050 -1.225 3.111 104 H THR 17 H THR 17 1.334 -2.853 7.352 105 HA THR 17 HA THR 17 -0.743 -4.593 7.766 106 HB THR 17 HB THR 17 -0.715 -1.631 8.378 107 HG1 THR 17 HG1 THR 17 0.986 -2.920 9.327 108 1HG2 THR 17 1HG2 THR 17 -2.250 -3.494 10.074 109 2HG2 THR 17 2HG2 THR 17 -2.918 -3.198 8.468 110 3HG2 THR 17 3HG2 THR 17 -2.627 -1.848 9.566 111 H LEU 18 H LEU 18 -2.578 -5.058 6.749 112 HA LEU 18 HA LEU 18 -3.328 -3.764 4.345 113 2HB LEU 18 2HB LEU 18 -5.280 -5.432 5.846 114 HG LEU 18 HG LEU 18 -4.491 -6.314 3.177 115 1HD1 LEU 18 1HD1 LEU 18 -6.589 -6.694 4.858 116 2HD1 LEU 18 2HD1 LEU 18 -6.617 -7.023 3.126 117 3HD1 LEU 18 3HD1 LEU 18 -7.249 -5.497 3.743 118 1HD2 LEU 18 1HD2 LEU 18 -4.220 -4.072 2.572 119 2HD2 LEU 18 2HD2 LEU 18 -5.544 -3.536 3.609 120 3HD2 LEU 18 3HD2 LEU 18 -5.887 -4.440 2.133 121 H LEU 19 H LEU 19 -3.388 -1.558 5.347 122 HA LEU 19 HA LEU 19 -5.338 -0.730 7.155 123 2HB LEU 19 2HB LEU 19 -5.097 1.449 5.584 124 HG LEU 19 HG LEU 19 -4.352 1.593 7.846 125 1HD1 LEU 19 1HD1 LEU 19 -3.415 -0.487 8.330 126 2HD1 LEU 19 2HD1 LEU 19 -2.050 0.626 8.406 127 3HD1 LEU 19 3HD1 LEU 19 -2.278 -0.393 6.985 128 1HD2 LEU 19 1HD2 LEU 19 -3.377 3.174 6.198 129 2HD2 LEU 19 2HD2 LEU 19 -1.971 2.116 6.072 130 3HD2 LEU 19 3HD2 LEU 19 -2.351 2.899 7.606 131 H ASN 20 H ASN 20 -6.984 1.102 6.241 132 HA ASN 20 HA ASN 20 -9.221 -0.149 5.352 133 2HB ASN 20 2HB ASN 20 -9.230 2.437 4.139 134 1HD2 ASN 20 1HD2 ASN 20 -11.397 2.105 4.101 135 2HD2 ASN 20 2HD2 ASN 20 -12.386 2.058 5.517 136 H SER 21 H SER 21 -9.134 -1.585 3.704 137 HA SER 21 HA SER 21 -7.901 -0.836 1.177 138 2HB SER 21 2HB SER 21 -7.376 -3.050 1.716 139 HG SER 21 HG SER 21 -9.937 -3.997 2.107 140 H THR 22 H THR 22 -10.601 0.126 2.406 141 HA THR 22 HA THR 22 -12.846 -0.588 1.171 142 HB THR 22 HB THR 22 -12.877 1.376 2.531 143 HG1 THR 22 HG1 THR 22 -14.261 1.197 0.464 144 1HG2 THR 22 1HG2 THR 22 -11.759 3.394 2.065 145 2HG2 THR 22 2HG2 THR 22 -11.436 2.928 0.395 146 3HG2 THR 22 3HG2 THR 22 -10.574 2.137 1.714 147 H ASN 23 H ASN 23 -10.444 1.522 -0.412 148 HA ASN 23 HA ASN 23 -11.725 1.647 -2.901 149 2HB ASN 23 2HB ASN 23 -9.065 1.902 -3.533 150 1HD2 ASN 23 1HD2 ASN 23 -9.998 3.256 -5.000 151 2HD2 ASN 23 2HD2 ASN 23 -10.598 4.827 -4.596 152 H LYS 24 H LYS 24 -11.363 0.547 -4.847 153 HA LYS 24 HA LYS 24 -10.594 -2.240 -4.494 154 2HB LYS 24 2HB LYS 24 -12.687 -1.220 -5.782 155 2HG LYS 24 2HG LYS 24 -10.574 -1.427 -7.917 156 2HD LYS 24 2HD LYS 24 -13.565 -1.494 -8.029 157 2HE LYS 24 2HE LYS 24 -12.329 -0.997 -10.596 158 1HZ LYS 24 1HZ LYS 24 -14.089 0.935 -10.298 159 2HZ LYS 24 2HZ LYS 24 -14.638 -0.084 -9.064 160 3HZ LYS 24 3HZ LYS 24 -14.550 -0.653 -10.655 161 H ASP 25 H ASP 25 -9.834 0.447 -6.703 162 HA ASP 25 HA ASP 25 -7.597 -0.980 -7.835 163 2HB ASP 25 2HB ASP 25 -7.312 0.916 -9.264 164 H TRP 26 H TRP 26 -8.043 0.590 -4.981 165 HA TRP 26 HA TRP 26 -5.170 0.964 -4.642 166 2HB TRP 26 2HB TRP 26 -5.580 3.158 -3.475 167 HD1 TRP 26 HD1 TRP 26 -7.444 3.221 -6.857 168 HE1 TRP 26 HE1 TRP 26 -5.951 4.428 -8.572 169 HE3 TRP 26 HE3 TRP 26 -3.268 3.871 -3.981 170 HZ2 TRP 26 HZ2 TRP 26 -3.347 5.512 -8.689 171 HZ3 TRP 26 HZ3 TRP 26 -1.319 5.001 -4.969 172 HH2 TRP 26 HH2 TRP 26 -1.360 5.804 -7.275 173 H TRP 27 H TRP 27 -4.578 -0.084 -2.873 174 HA TRP 27 HA TRP 27 -6.564 -0.467 -0.734 175 2HB TRP 27 2HB TRP 27 -4.658 -2.308 -0.170 176 HD1 TRP 27 HD1 TRP 27 -7.933 -1.568 -1.757 177 HE1 TRP 27 HE1 TRP 27 -9.390 -3.689 -1.821 178 HE3 TRP 27 HE3 TRP 27 -4.375 -5.036 -0.550 179 HZ2 TRP 27 HZ2 TRP 27 -9.074 -6.464 -1.415 180 HZ3 TRP 27 HZ3 TRP 27 -5.034 -7.402 -0.408 181 HH2 TRP 27 HH2 TRP 27 -7.335 -8.100 -0.832 182 H LYS 28 H LYS 28 -6.256 0.849 0.930 183 HA LYS 28 HA LYS 28 -3.916 2.309 1.432 184 2HB LYS 28 2HB LYS 28 -5.861 1.645 3.616 185 2HG LYS 28 2HG LYS 28 -4.757 4.317 2.796 186 2HD LYS 28 2HD LYS 28 -5.657 3.488 5.529 187 2HE LYS 28 2HE LYS 28 -5.077 5.989 4.064 188 1HZ LYS 28 1HZ LYS 28 -6.557 6.887 6.140 189 2HZ LYS 28 2HZ LYS 28 -7.510 5.620 5.550 190 3HZ LYS 28 3HZ LYS 28 -7.052 6.884 4.522 191 H VAL 29 H VAL 29 -2.111 1.901 2.567 192 HA VAL 29 HA VAL 29 -2.030 -0.362 4.409 193 HB VAL 29 HB VAL 29 -0.008 -1.294 3.434 194 1HG1 VAL 29 1HG1 VAL 29 -1.824 -1.128 1.084 195 2HG1 VAL 29 2HG1 VAL 29 -1.053 -2.534 1.820 196 3HG1 VAL 29 3HG1 VAL 29 -2.457 -1.793 2.590 197 1HG2 VAL 29 1HG2 VAL 29 1.043 0.583 2.446 198 2HG2 VAL 29 2HG2 VAL 29 0.660 -0.516 1.121 199 3HG2 VAL 29 3HG2 VAL 29 -0.345 0.904 1.406 200 H GLU 30 H GLU 30 -0.639 -0.089 6.092 201 HA GLU 30 HA GLU 30 0.630 2.528 6.303 202 2HB GLU 30 2HB GLU 30 -0.076 0.379 8.281 203 2HG GLU 30 2HG GLU 30 0.803 2.350 9.882 204 H VAL 31 H VAL 31 2.807 2.814 6.904 205 HA VAL 31 HA VAL 31 4.539 0.466 6.502 206 HB VAL 31 HB VAL 31 4.923 3.237 5.369 207 1HG1 VAL 31 1HG1 VAL 31 6.861 1.028 5.848 208 2HG1 VAL 31 2HG1 VAL 31 7.020 1.994 4.380 209 3HG1 VAL 31 3HG1 VAL 31 7.087 2.773 5.961 210 1HG2 VAL 31 1HG2 VAL 31 4.843 2.189 3.234 211 2HG2 VAL 31 2HG2 VAL 31 4.873 0.579 3.953 212 3HG2 VAL 31 3HG2 VAL 31 3.452 1.605 4.148 213 H ASN 32 H ASN 32 4.488 0.438 8.874 214 HA ASN 32 HA ASN 32 5.601 0.703 10.846 215 2HB ASN 32 2HB ASN 32 7.748 1.762 10.896 216 1HD2 ASN 32 1HD2 ASN 32 7.660 1.761 7.463 217 2HD2 ASN 32 2HD2 ASN 32 8.355 0.197 7.227 218 H ASP 33 H ASP 33 5.961 3.941 9.409 219 HA ASP 33 HA ASP 33 4.172 4.983 11.501 220 2HB ASP 33 2HB ASP 33 6.506 6.598 10.538 221 H ARG 34 H ARG 34 5.197 4.977 8.222 222 HA ARG 34 HA ARG 34 3.473 7.268 7.587 223 2HB ARG 34 2HB ARG 34 4.752 7.658 5.737 224 2HG ARG 34 2HG ARG 34 6.574 6.081 7.522 225 2HD ARG 34 2HD ARG 34 7.125 6.305 4.906 226 HE ARG 34 HE ARG 34 7.529 8.956 5.846 227 1HH1 ARG 34 2HH1 ARG 34 8.908 6.493 3.809 228 2HH1 ARG 34 1HH1 ARG 34 9.723 7.620 2.776 229 1HH2 ARG 34 2HH2 ARG 34 8.597 10.450 4.492 230 2HH2 ARG 34 1HH2 ARG 34 9.546 9.871 3.165 231 H GLN 35 H GLN 35 1.485 6.886 6.888 232 HA GLN 35 HA GLN 35 0.954 4.377 5.441 233 2HB GLN 35 2HB GLN 35 -0.806 3.842 6.757 234 2HG GLN 35 2HG GLN 35 0.454 5.844 8.617 235 1HE2 GLN 35 1HE2 GLN 35 0.542 4.113 10.754 236 2HE2 GLN 35 2HE2 GLN 35 -1.065 3.811 11.313 237 H GLY 36 H GLY 36 -0.455 4.480 3.711 238 1HA GLY 36 2HA GLY 36 -2.006 6.812 3.123 239 2HA GLY 36 1HA GLY 36 -0.538 6.745 2.159 240 H PHE 37 H PHE 37 -2.503 6.748 0.572 241 HA PHE 37 HA PHE 37 -3.660 4.123 0.164 242 2HB PHE 37 2HB PHE 37 -4.633 5.313 -1.909 243 HD1 PHE 37 HD1 PHE 37 -4.864 7.711 0.843 244 HD2 PHE 37 HD2 PHE 37 -6.523 4.206 -0.909 245 HE1 PHE 37 HE1 PHE 37 -6.864 7.957 2.256 246 HE2 PHE 37 HE2 PHE 37 -8.527 4.446 0.498 247 HZ PHE 37 HZ PHE 37 -8.700 6.323 2.083 248 H VAL 38 H VAL 38 -3.045 2.645 -1.311 249 HA VAL 38 HA VAL 38 -1.067 3.396 -3.340 250 HB VAL 38 HB VAL 38 0.101 1.168 -2.838 251 1HG1 VAL 38 1HG1 VAL 38 1.053 2.484 -0.608 252 2HG1 VAL 38 2HG1 VAL 38 1.594 2.726 -2.270 253 3HG1 VAL 38 3HG1 VAL 38 0.355 3.777 -1.583 254 1HG2 VAL 38 1HG2 VAL 38 -0.031 0.415 -0.507 255 2HG2 VAL 38 2HG2 VAL 38 -1.315 1.585 -0.205 256 3HG2 VAL 38 3HG2 VAL 38 -1.582 0.254 -1.331 257 HA PRO 39 HA PRO 39 -3.411 0.851 -6.041 258 2HB PRO 39 2HB PRO 39 -2.051 1.596 -7.735 259 2HG PRO 39 2HG PRO 39 0.221 1.946 -7.385 260 2HD PRO 39 2HD PRO 39 -0.641 3.107 -5.590 261 H ALA 40 H ALA 40 -4.294 -0.995 -5.347 262 HA ALA 40 HA ALA 40 -3.074 -3.012 -3.898 263 1HB ALA 40 1HB ALA 40 -5.094 -4.291 -5.323 264 2HB ALA 40 2HB ALA 40 -5.233 -3.519 -3.742 265 3HB ALA 40 3HB ALA 40 -5.616 -2.610 -5.204 266 H ALA 41 H ALA 41 -2.813 -2.324 -7.235 267 HA ALA 41 HA ALA 41 -2.260 -4.921 -8.219 268 1HB ALA 41 1HB ALA 41 -2.462 -2.328 -9.286 269 2HB ALA 41 2HB ALA 41 -0.855 -2.922 -9.711 270 3HB ALA 41 3HB ALA 41 -2.286 -3.850 -10.161 271 H TYR 42 H TYR 42 -0.361 -2.556 -6.529 272 HA TYR 42 HA TYR 42 2.148 -3.887 -7.157 273 2HB TYR 42 2HB TYR 42 3.073 -2.101 -5.574 274 HD1 TYR 42 HD1 TYR 42 4.432 -0.686 -6.799 275 HD2 TYR 42 HD2 TYR 42 0.566 -1.629 -8.304 276 HE1 TYR 42 HE1 TYR 42 4.939 0.552 -8.862 277 HE2 TYR 42 HE2 TYR 42 1.063 -0.395 -10.372 278 HH TYR 42 HH TYR 42 3.774 0.270 -11.512 279 H VAL 43 H VAL 43 -0.330 -4.230 -4.934 280 HA VAL 43 HA VAL 43 1.441 -5.718 -3.112 281 HB VAL 43 HB VAL 43 -0.138 -5.133 -1.257 282 1HG1 VAL 43 1HG1 VAL 43 1.572 -3.108 -2.636 283 2HG1 VAL 43 2HG1 VAL 43 0.679 -2.663 -1.180 284 3HG1 VAL 43 3HG1 VAL 43 1.856 -3.976 -1.127 285 1HG2 VAL 43 1HG2 VAL 43 -1.904 -4.382 -3.033 286 2HG2 VAL 43 2HG2 VAL 43 -1.810 -3.563 -1.474 287 3HG2 VAL 43 3HG2 VAL 43 -1.082 -2.827 -2.902 288 H LYS 44 H LYS 44 -0.084 -7.129 -1.604 289 HA LYS 44 HA LYS 44 -2.492 -8.130 -2.688 290 2HB LYS 44 2HB LYS 44 0.049 -9.462 -3.503 291 2HG LYS 44 2HG LYS 44 -1.678 -11.434 -4.052 292 2HD LYS 44 2HD LYS 44 -0.727 -12.632 -2.081 293 2HE LYS 44 2HE LYS 44 1.755 -11.658 -2.770 294 1HZ LYS 44 1HZ LYS 44 1.263 -13.931 -2.984 295 2HZ LYS 44 2HZ LYS 44 1.618 -13.408 -4.554 296 3HZ LYS 44 3HZ LYS 44 0.011 -13.656 -4.087 297 H LYS 45 H LYS 45 -3.549 -9.358 -1.210 298 HA LYS 45 HA LYS 45 -2.690 -9.430 1.435 299 2HB LYS 45 2HB LYS 45 -4.508 -11.524 1.224 300 2HG LYS 45 2HG LYS 45 -5.334 -8.640 1.380 301 2HD LYS 45 2HD LYS 45 -6.472 -10.560 3.242 302 2HE LYS 45 2HE LYS 45 -7.319 -8.361 1.470 303 1HZ LYS 45 1HZ LYS 45 -8.793 -10.734 1.460 304 2HZ LYS 45 2HZ LYS 45 -9.218 -9.239 0.794 305 3HZ LYS 45 3HZ LYS 45 -9.653 -9.610 2.386 306 H LEU 46 H LEU 46 -2.115 -11.212 2.799 307 HA LEU 46 HA LEU 46 -0.713 -13.371 1.364 308 2HB LEU 46 2HB LEU 46 0.901 -13.407 3.207 309 HG LEU 46 HG LEU 46 0.604 -10.768 1.810 310 1HD1 LEU 46 1HD1 LEU 46 1.899 -11.077 4.257 311 2HD1 LEU 46 2HD1 LEU 46 2.090 -9.753 3.108 312 3HD1 LEU 46 3HD1 LEU 46 3.180 -11.138 3.046 313 1HD2 LEU 46 1HD2 LEU 46 2.008 -13.297 1.377 314 2HD2 LEU 46 2HD2 LEU 46 3.021 -11.867 1.173 315 3HD2 LEU 46 3HD2 LEU 46 1.543 -12.043 0.227 316 H ASP 47 H ASP 47 -0.114 -15.122 3.228 317 HA ASP 47 HA ASP 47 -2.725 -16.024 4.179 318 2HB ASP 47 2HB ASP 47 -0.230 -17.669 4.386 319 H SER 48 H SER 48 -3.169 -15.083 6.099 320 HA SER 48 HA SER 48 -1.104 -15.159 8.191 321 2HB SER 48 2HB SER 48 -2.173 -12.948 7.595 322 HG SER 48 HG SER 48 -4.270 -13.079 7.420 323 H GLY 49 H GLY 49 -1.428 -17.383 8.675 324 1HA GLY 49 2HA GLY 49 -3.594 -18.865 9.150 325 2HA GLY 49 1HA GLY 49 -2.230 -18.894 10.258 326 H THR 50 H THR 50 -2.377 -16.512 11.527 327 HA THR 50 HA THR 50 -4.281 -16.925 13.503 328 HB THR 50 HB THR 50 -2.360 -15.556 13.968 329 HG1 THR 50 HG1 THR 50 -4.648 -15.017 14.825 330 1HG2 THR 50 1HG2 THR 50 -2.231 -14.578 11.647 331 2HG2 THR 50 2HG2 THR 50 -1.928 -13.441 12.960 332 3HG2 THR 50 3HG2 THR 50 -3.488 -13.443 12.138 333 H GLY 51 H GLY 51 -4.397 -14.770 10.687 334 1HA GLY 51 2HA GLY 51 -6.552 -14.531 9.559 335 2HA GLY 51 1HA GLY 51 -7.302 -14.505 11.149 336 H LYS 52 H LYS 52 -4.342 -12.780 10.545 337 HA LYS 52 HA LYS 52 -5.605 -10.296 11.272 338 2HB LYS 52 2HB LYS 52 -3.196 -9.438 10.767 339 2HG LYS 52 2HG LYS 52 -2.301 -10.576 12.872 340 2HD LYS 52 2HD LYS 52 -3.969 -9.371 14.327 341 2HE LYS 52 2HE LYS 52 -3.445 -7.401 12.236 342 1HZ LYS 52 1HZ LYS 52 -3.051 -7.747 15.070 343 2HZ LYS 52 2HZ LYS 52 -3.379 -6.342 14.187 344 3HZ LYS 52 3HZ LYS 52 -1.791 -6.914 14.306 345 H GLU 53 H GLU 53 -4.459 -8.350 9.855 346 HA GLU 53 HA GLU 53 -5.293 -8.871 7.076 347 2HB GLU 53 2HB GLU 53 -6.301 -6.759 6.940 348 2HG GLU 53 2HG GLU 53 -7.049 -6.855 9.739 349 H LEU 54 H LEU 54 -3.220 -9.301 6.327 350 HA LEU 54 HA LEU 54 -1.396 -6.988 6.323 351 2HB LEU 54 2HB LEU 54 0.014 -8.338 7.408 352 HG LEU 54 HG LEU 54 -1.745 -10.612 6.606 353 1HD1 LEU 54 1HD1 LEU 54 0.762 -11.259 8.035 354 2HD1 LEU 54 2HD1 LEU 54 0.875 -10.996 6.295 355 3HD1 LEU 54 3HD1 LEU 54 -0.204 -12.239 6.931 356 1HD2 LEU 54 1HD2 LEU 54 -1.437 -11.042 9.101 357 2HD2 LEU 54 2HD2 LEU 54 -2.364 -9.615 8.636 358 3HD2 LEU 54 3HD2 LEU 54 -0.688 -9.447 9.163 359 H VAL 55 H VAL 55 0.040 -6.877 4.433 360 HA VAL 55 HA VAL 55 -0.760 -8.367 2.077 361 HB VAL 55 HB VAL 55 -0.854 -5.931 0.932 362 1HG1 VAL 55 1HG1 VAL 55 -3.066 -7.587 2.116 363 2HG1 VAL 55 2HG1 VAL 55 -3.382 -6.173 1.108 364 3HG1 VAL 55 3HG1 VAL 55 -2.494 -7.546 0.448 365 1HG2 VAL 55 1HG2 VAL 55 -2.082 -5.581 3.666 366 2HG2 VAL 55 2HG2 VAL 55 -0.684 -4.717 3.025 367 3HG2 VAL 55 3HG2 VAL 55 -2.278 -4.468 2.311 368 H LEU 56 H LEU 56 1.084 -8.935 1.149 369 HA LEU 56 HA LEU 56 3.540 -7.555 1.685 370 2HB LEU 56 2HB LEU 56 2.877 -9.846 -0.157 371 HG LEU 56 HG LEU 56 5.458 -8.485 0.262 372 1HD1 LEU 56 1HD1 LEU 56 5.091 -11.177 1.168 373 2HD1 LEU 56 2HD1 LEU 56 6.549 -10.185 1.172 374 3HD1 LEU 56 3HD1 LEU 56 6.148 -11.156 -0.245 375 1HD2 LEU 56 1HD2 LEU 56 5.682 -8.849 -1.945 376 2HD2 LEU 56 2HD2 LEU 56 3.944 -9.142 -1.883 377 3HD2 LEU 56 3HD2 LEU 56 5.070 -10.499 -1.843 378 H ALA 57 H ALA 57 4.938 -6.615 0.112 379 HA ALA 57 HA ALA 57 3.466 -5.199 -1.974 380 1HB ALA 57 1HB ALA 57 5.687 -3.927 -2.148 381 2HB ALA 57 2HB ALA 57 4.719 -3.708 -0.689 382 3HB ALA 57 3HB ALA 57 6.129 -4.769 -0.661 383 H LEU 58 H LEU 58 3.391 -6.100 -3.921 384 HA LEU 58 HA LEU 58 5.329 -8.043 -4.778 385 2HB LEU 58 2HB LEU 58 3.881 -8.555 -6.451 386 HG LEU 58 HG LEU 58 1.930 -6.944 -4.809 387 1HD1 LEU 58 1HD1 LEU 58 1.596 -9.259 -6.707 388 2HD1 LEU 58 2HD1 LEU 58 0.968 -7.622 -6.892 389 3HD1 LEU 58 3HD1 LEU 58 0.335 -8.670 -5.623 390 1HD2 LEU 58 1HD2 LEU 58 3.539 -8.897 -3.827 391 2HD2 LEU 58 2HD2 LEU 58 2.153 -9.838 -4.376 392 3HD2 LEU 58 3HD2 LEU 58 1.926 -8.528 -3.217 393 H TYR 59 H TYR 59 4.509 -4.709 -5.615 394 HA TYR 59 HA TYR 59 7.039 -4.553 -7.117 395 2HB TYR 59 2HB TYR 59 6.073 -3.234 -8.780 396 HD1 TYR 59 HD1 TYR 59 2.860 -3.414 -9.066 397 HD2 TYR 59 HD2 TYR 59 6.021 -6.194 -8.449 398 HE1 TYR 59 HE1 TYR 59 1.502 -5.180 -10.109 399 HE2 TYR 59 HE2 TYR 59 4.672 -7.967 -9.490 400 HH TYR 59 HH TYR 59 2.504 -8.523 -10.084 401 H ASP 60 H ASP 60 7.821 -2.240 -7.316 402 HA ASP 60 HA ASP 60 7.856 -1.080 -4.663 403 2HB ASP 60 2HB ASP 60 9.980 -1.231 -5.743 404 H TYR 61 H TYR 61 7.083 0.905 -4.073 405 HA TYR 61 HA TYR 61 5.847 2.621 -6.074 406 2HB TYR 61 2HB TYR 61 4.291 1.516 -3.725 407 HD1 TYR 61 HD1 TYR 61 3.916 3.977 -3.097 408 HD2 TYR 61 HD2 TYR 61 2.575 2.274 -6.759 409 HE1 TYR 61 HE1 TYR 61 2.307 5.819 -3.358 410 HE2 TYR 61 HE2 TYR 61 0.963 4.111 -7.029 411 HH TYR 61 HH TYR 61 0.339 6.140 -6.271 412 H GLN 62 H GLN 62 5.167 4.716 -5.158 413 HA GLN 62 HA GLN 62 6.315 5.399 -2.571 414 2HB GLN 62 2HB GLN 62 7.317 6.419 -5.203 415 2HG GLN 62 2HG GLN 62 6.575 8.403 -3.872 416 1HE2 GLN 62 1HE2 GLN 62 5.895 8.040 -1.751 417 2HE2 GLN 62 2HE2 GLN 62 6.981 8.160 -0.414 418 H GLU 63 H GLU 63 4.870 6.578 -1.520 419 HA GLU 63 HA GLU 63 3.043 8.281 -3.084 420 2HB GLU 63 2HB GLU 63 2.129 7.609 -0.398 421 2HG GLU 63 2HG GLU 63 0.133 6.792 -1.676 422 H SER 64 H SER 64 2.535 10.330 -2.292 423 HA SER 64 HA SER 64 4.303 11.307 -0.144 424 2HB SER 64 2HB SER 64 3.597 12.488 -2.805 425 HG SER 64 HG SER 64 4.275 14.520 -2.005 426 H GLY 65 H GLY 65 3.099 11.628 1.613 427 1HA GLY 65 2HA GLY 65 1.468 12.488 2.983 428 2HA GLY 65 1HA GLY 65 1.053 13.580 1.670 429 H ASP 66 H ASP 66 -0.020 11.048 3.556 430 HA ASP 66 HA ASP 66 -1.486 9.321 2.132 431 2HB ASP 66 2HB ASP 66 -2.266 10.881 4.584 432 H ASN 67 H ASN 67 -2.416 9.735 0.219 433 HA ASN 67 HA ASN 67 -4.434 11.879 0.123 434 2HB ASN 67 2HB ASN 67 -3.908 12.028 -2.339 435 1HD2 ASN 67 1HD2 ASN 67 -3.954 13.822 -0.461 436 2HD2 ASN 67 2HD2 ASN 67 -2.477 14.712 -0.355 437 H ALA 68 H ALA 68 -6.323 11.471 -1.069 438 HA ALA 68 HA ALA 68 -7.134 8.714 -1.078 439 1HB ALA 68 1HB ALA 68 -8.915 9.971 -0.440 440 2HB ALA 68 2HB ALA 68 -8.465 11.333 -1.467 441 3HB ALA 68 3HB ALA 68 -9.240 9.914 -2.173 442 HA PRO 69 HA PRO 69 -6.186 7.761 -5.274 443 2HB PRO 69 2HB PRO 69 -6.443 5.559 -4.669 444 2HG PRO 69 2HG PRO 69 -8.025 4.925 -3.087 445 2HD PRO 69 2HD PRO 69 -6.986 6.638 -1.946 446 H SER 70 H SER 70 -7.105 9.840 -5.998 447 HA SER 70 HA SER 70 -9.862 9.763 -6.935 448 2HB SER 70 2HB SER 70 -8.693 11.797 -5.834 449 HG SER 70 HG SER 70 -7.996 12.909 -8.133 450 H TYR 71 H TYR 71 -6.964 8.713 -8.069 451 HA TYR 71 HA TYR 71 -7.868 8.944 -10.857 452 2HB TYR 71 2HB TYR 71 -6.103 10.505 -10.800 453 HD1 TYR 71 HD1 TYR 71 -4.679 7.406 -9.260 454 HD2 TYR 71 HD2 TYR 71 -4.586 11.653 -9.503 455 HE1 TYR 71 HE1 TYR 71 -2.950 7.463 -7.511 456 HE2 TYR 71 HE2 TYR 71 -2.857 11.721 -7.754 457 HH TYR 71 HH TYR 71 -1.067 9.127 -6.836 458 H SER 72 H SER 72 -6.572 7.350 -12.274 459 HA SER 72 HA SER 72 -7.006 4.740 -11.219 460 2HB SER 72 2HB SER 72 -7.392 5.186 -13.579 461 HG SER 72 HG SER 72 -4.676 5.933 -13.525 462 HA PRO 73 HA PRO 73 -3.076 3.726 -9.549 463 2HB PRO 73 2HB PRO 73 -4.013 1.740 -8.872 464 2HG PRO 73 2HG PRO 73 -5.567 0.633 -10.201 465 2HD PRO 73 2HD PRO 73 -6.481 2.750 -10.201 466 HA PRO 74 HA PRO 74 -0.095 3.981 -12.796 467 2HB PRO 74 2HB PRO 74 1.321 4.868 -11.219 468 2HG PRO 74 2HG PRO 74 1.257 4.148 -9.008 469 2HD PRO 74 2HD PRO 74 -0.982 4.566 -9.355 470 HA PRO 75 HA PRO 75 0.435 -0.087 -14.413 471 2HB PRO 75 2HB PRO 75 0.835 0.926 -16.437 472 2HG PRO 75 2HG PRO 75 1.968 2.952 -16.561 473 2HD PRO 75 2HD PRO 75 0.398 3.474 -14.956 474 HA PRO 76 HA PRO 76 3.625 -1.712 -11.743 475 2HB PRO 76 2HB PRO 76 2.120 -3.362 -11.204 476 2HG PRO 76 2HG PRO 76 0.520 -4.072 -12.735 477 2HD PRO 76 2HD PRO 76 0.201 -1.793 -12.855 478 HA PRO 77 HA PRO 77 7.060 -2.701 -14.302 479 2HB PRO 77 2HB PRO 77 8.297 -3.013 -12.392 480 2HG PRO 77 2HG PRO 77 7.378 -4.046 -10.523 481 2HD PRO 77 2HD PRO 77 5.740 -2.484 -10.958 Start of MODEL 8 1 1H GLY 1 1H GLY 1 8.408 18.973 17.408 2 1HA GLY 1 2HA GLY 1 8.867 18.176 14.630 3 2HA GLY 1 1HA GLY 1 8.612 17.092 15.989 4 H ALA 2 H ALA 2 7.049 19.206 13.670 5 HA ALA 2 HA ALA 2 4.437 18.090 14.424 6 1HB ALA 2 1HB ALA 2 3.969 20.294 14.384 7 2HB ALA 2 2HB ALA 2 5.312 20.669 13.302 8 3HB ALA 2 3HB ALA 2 3.810 20.016 12.649 9 H MET 3 H MET 3 2.999 18.367 12.162 10 HA MET 3 HA MET 3 3.234 16.116 10.744 11 2HB MET 3 2HB MET 3 2.364 17.513 8.717 12 2HG MET 3 2HG MET 3 1.058 16.354 10.754 13 1HE MET 3 1HE MET 3 1.673 17.101 12.781 14 2HE MET 3 2HE MET 3 1.349 18.647 13.564 15 3HE MET 3 3HE MET 3 0.126 17.376 13.583 16 H GLY 4 H GLY 4 4.147 15.458 8.727 17 1HA GLY 4 2HA GLY 4 6.345 17.069 7.672 18 2HA GLY 4 1HA GLY 4 6.763 15.505 8.352 19 HA PRO 5 HA PRO 5 5.594 15.161 3.797 20 2HB PRO 5 2HB PRO 5 7.562 16.040 3.000 21 2HG PRO 5 2HG PRO 5 9.482 16.065 4.312 22 2HD PRO 5 2HD PRO 5 7.974 16.979 5.797 23 H ARG 6 H ARG 6 6.401 13.293 6.385 24 HA ARG 6 HA ARG 6 7.181 10.833 5.725 25 2HB ARG 6 2HB ARG 6 6.337 11.371 7.944 26 2HG ARG 6 2HG ARG 6 3.536 11.013 6.929 27 2HD ARG 6 2HD ARG 6 4.844 11.475 9.519 28 HE ARG 6 HE ARG 6 3.373 13.590 8.823 29 1HH1 ARG 6 2HH1 ARG 6 2.674 10.910 10.933 30 2HH1 ARG 6 1HH1 ARG 6 1.619 11.824 11.959 31 1HH2 ARG 6 2HH2 ARG 6 1.986 14.803 10.167 32 2HH2 ARG 6 1HH2 ARG 6 1.228 14.039 11.522 33 H GLU 7 H GLU 7 6.865 9.832 3.834 34 HA GLU 7 HA GLU 7 4.109 9.608 2.820 35 2HB GLU 7 2HB GLU 7 5.718 10.747 1.316 36 2HG GLU 7 2HG GLU 7 7.025 8.234 0.549 37 H VAL 8 H VAL 8 3.593 7.567 1.689 38 HA VAL 8 HA VAL 8 4.734 5.295 3.159 39 HB VAL 8 HB VAL 8 2.187 5.864 3.091 40 1HG1 VAL 8 1HG1 VAL 8 2.111 6.012 0.617 41 2HG1 VAL 8 2HG1 VAL 8 2.450 4.282 0.538 42 3HG1 VAL 8 3HG1 VAL 8 0.958 4.857 1.284 43 1HG2 VAL 8 1HG2 VAL 8 1.674 3.610 3.547 44 2HG2 VAL 8 2HG2 VAL 8 2.958 3.020 2.492 45 3HG2 VAL 8 3HG2 VAL 8 3.363 3.810 4.016 46 H THR 9 H THR 9 6.038 3.929 2.149 47 HA THR 9 HA THR 9 5.833 3.680 -0.779 48 HB THR 9 HB THR 9 8.235 3.469 -0.962 49 HG1 THR 9 HG1 THR 9 9.553 3.462 0.797 50 1HG2 THR 9 1HG2 THR 9 7.015 5.780 -0.708 51 2HG2 THR 9 2HG2 THR 9 8.776 5.701 -0.764 52 3HG2 THR 9 3HG2 THR 9 7.950 5.875 0.784 53 H MET 10 H MET 10 5.984 1.648 -1.628 54 HA MET 10 HA MET 10 6.247 -0.557 0.308 55 2HB MET 10 2HB MET 10 4.477 -1.643 -0.616 56 2HG MET 10 2HG MET 10 3.921 1.137 -1.624 57 1HE MET 10 1HE MET 10 2.250 1.337 -3.431 58 2HE MET 10 2HE MET 10 3.042 -0.159 -3.927 59 3HE MET 10 3HE MET 10 1.283 -0.030 -3.987 60 H LYS 11 H LYS 11 8.188 -1.458 0.079 61 HA LYS 11 HA LYS 11 9.461 -1.555 -2.543 62 2HB LYS 11 2HB LYS 11 10.698 -2.681 -0.060 63 2HG LYS 11 2HG LYS 11 11.626 -1.645 -2.642 64 2HD LYS 11 2HD LYS 11 13.853 -1.308 -1.009 65 2HE LYS 11 2HE LYS 11 12.187 0.288 -2.791 66 1HZ LYS 11 1HZ LYS 11 12.220 1.682 -0.729 67 2HZ LYS 11 2HZ LYS 11 12.908 2.408 -2.092 68 3HZ LYS 11 3HZ LYS 11 13.903 1.770 -0.882 69 H LYS 12 H LYS 12 9.824 -3.382 -3.694 70 HA LYS 12 HA LYS 12 8.190 -5.559 -3.566 71 2HB LYS 12 2HB LYS 12 11.025 -5.967 -4.442 72 2HG LYS 12 2HG LYS 12 8.402 -7.052 -5.129 73 2HD LYS 12 2HD LYS 12 9.046 -5.548 -7.110 74 2HE LYS 12 2HE LYS 12 11.125 -7.718 -7.323 75 1HZ LYS 12 1HZ LYS 12 10.540 -7.640 -9.494 76 2HZ LYS 12 2HZ LYS 12 11.530 -6.269 -9.480 77 3HZ LYS 12 3HZ LYS 12 9.850 -6.099 -9.388 78 H GLY 13 H GLY 13 7.835 -6.911 -1.933 79 1HA GLY 13 2HA GLY 13 8.411 -8.747 -0.584 80 2HA GLY 13 1HA GLY 13 10.104 -8.306 -0.744 81 H ASP 14 H ASP 14 7.103 -6.913 0.588 82 HA ASP 14 HA ASP 14 8.341 -6.626 3.179 83 2HB ASP 14 2HB ASP 14 7.254 -4.063 2.133 84 H ILE 15 H ILE 15 6.858 -6.368 4.835 85 HA ILE 15 HA ILE 15 4.084 -6.865 4.071 86 HB ILE 15 HB ILE 15 5.260 -6.904 6.848 87 2HG1 ILE 15 2HG1 ILE 15 6.197 -8.524 4.971 88 1HG2 ILE 15 1HG2 ILE 15 2.972 -8.606 6.136 89 2HG2 ILE 15 2HG2 ILE 15 3.266 -7.639 7.582 90 3HG2 ILE 15 3HG2 ILE 15 2.657 -6.871 6.116 91 1HD1 ILE 15 1HD1 ILE 15 6.609 -10.256 6.584 92 2HD1 ILE 15 2HD1 ILE 15 6.778 -8.680 7.360 93 3HD1 ILE 15 3HD1 ILE 15 5.324 -9.641 7.623 94 H LEU 16 H LEU 16 2.419 -5.507 4.478 95 HA LEU 16 HA LEU 16 2.904 -3.108 6.084 96 2HB LEU 16 2HB LEU 16 2.360 -1.603 4.451 97 HG LEU 16 HG LEU 16 4.181 -3.511 3.497 98 1HD1 LEU 16 1HD1 LEU 16 2.998 -4.424 1.789 99 2HD1 LEU 16 2HD1 LEU 16 3.583 -2.980 0.964 100 3HD1 LEU 16 3HD1 LEU 16 1.945 -3.020 1.616 101 1HD2 LEU 16 1HD2 LEU 16 5.098 -1.461 3.489 102 2HD2 LEU 16 2HD2 LEU 16 3.562 -0.661 3.159 103 3HD2 LEU 16 3HD2 LEU 16 4.481 -1.385 1.839 104 H THR 17 H THR 17 1.340 -2.900 7.529 105 HA THR 17 HA THR 17 -0.809 -4.490 7.930 106 HB THR 17 HB THR 17 -0.666 -1.526 8.510 107 HG1 THR 17 HG1 THR 17 -0.137 -3.813 10.133 108 1HG2 THR 17 1HG2 THR 17 -2.912 -3.169 8.660 109 2HG2 THR 17 2HG2 THR 17 -2.690 -1.608 9.450 110 3HG2 THR 17 3HG2 THR 17 -2.297 -3.097 10.311 111 H LEU 18 H LEU 18 -2.516 -5.011 6.747 112 HA LEU 18 HA LEU 18 -3.286 -3.667 4.402 113 2HB LEU 18 2HB LEU 18 -5.253 -5.355 5.857 114 HG LEU 18 HG LEU 18 -4.409 -6.201 3.190 115 1HD1 LEU 18 1HD1 LEU 18 -6.551 -6.889 3.052 116 2HD1 LEU 18 2HD1 LEU 18 -7.186 -5.426 3.803 117 3HD1 LEU 18 3HD1 LEU 18 -6.497 -6.702 4.805 118 1HD2 LEU 18 1HD2 LEU 18 -5.519 -3.449 3.643 119 2HD2 LEU 18 2HD2 LEU 18 -5.816 -4.337 2.149 120 3HD2 LEU 18 3HD2 LEU 18 -4.164 -3.943 2.627 121 H LEU 19 H LEU 19 -3.402 -1.467 5.331 122 HA LEU 19 HA LEU 19 -5.352 -0.656 7.163 123 2HB LEU 19 2HB LEU 19 -5.131 1.526 5.598 124 HG LEU 19 HG LEU 19 -4.369 1.661 7.858 125 1HD1 LEU 19 1HD1 LEU 19 -1.743 0.456 7.496 126 2HD1 LEU 19 2HD1 LEU 19 -3.066 -0.701 7.352 127 3HD1 LEU 19 3HD1 LEU 19 -2.904 0.275 8.811 128 1HD2 LEU 19 1HD2 LEU 19 -3.418 3.233 6.143 129 2HD2 LEU 19 2HD2 LEU 19 -1.972 2.223 6.125 130 3HD2 LEU 19 3HD2 LEU 19 -2.456 3.046 7.609 131 H ASN 20 H ASN 20 -7.009 1.164 6.238 132 HA ASN 20 HA ASN 20 -9.237 -0.106 5.357 133 2HB ASN 20 2HB ASN 20 -9.253 2.472 4.122 134 1HD2 ASN 20 1HD2 ASN 20 -11.415 1.822 4.073 135 2HD2 ASN 20 2HD2 ASN 20 -12.417 1.898 5.479 136 H SER 21 H SER 21 -9.200 -1.535 3.713 137 HA SER 21 HA SER 21 -7.958 -0.802 1.178 138 2HB SER 21 2HB SER 21 -7.407 -3.008 1.768 139 HG SER 21 HG SER 21 -10.148 -3.360 2.418 140 H THR 22 H THR 22 -10.666 0.134 2.415 141 HA THR 22 HA THR 22 -12.906 -0.621 1.195 142 HB THR 22 HB THR 22 -12.945 1.358 2.543 143 HG1 THR 22 HG1 THR 22 -13.633 2.109 -0.120 144 1HG2 THR 22 1HG2 THR 22 -10.660 2.136 1.633 145 2HG2 THR 22 2HG2 THR 22 -11.846 3.367 2.071 146 3HG2 THR 22 3HG2 THR 22 -11.599 2.942 0.378 147 H ASN 23 H ASN 23 -10.495 1.450 -0.416 148 HA ASN 23 HA ASN 23 -11.808 1.541 -2.906 149 2HB ASN 23 2HB ASN 23 -9.141 1.847 -3.524 150 1HD2 ASN 23 1HD2 ASN 23 -9.609 3.339 -4.969 151 2HD2 ASN 23 2HD2 ASN 23 -10.452 4.816 -4.665 152 H LYS 24 H LYS 24 -11.413 0.429 -4.839 153 HA LYS 24 HA LYS 24 -10.590 -2.336 -4.452 154 2HB LYS 24 2HB LYS 24 -11.315 -2.048 -7.111 155 2HG LYS 24 2HG LYS 24 -13.486 -2.511 -5.142 156 2HD LYS 24 2HD LYS 24 -12.905 -3.158 -7.853 157 2HE LYS 24 2HE LYS 24 -13.818 -5.658 -7.259 158 1HZ LYS 24 1HZ LYS 24 -11.927 -6.374 -8.276 159 2HZ LYS 24 2HZ LYS 24 -10.918 -5.298 -7.449 160 3HZ LYS 24 3HZ LYS 24 -11.875 -4.744 -8.730 161 H ASP 25 H ASP 25 -9.900 0.259 -6.801 162 HA ASP 25 HA ASP 25 -7.601 -1.114 -7.833 163 2HB ASP 25 2HB ASP 25 -7.280 0.873 -9.212 164 H TRP 26 H TRP 26 -8.110 0.510 -5.015 165 HA TRP 26 HA TRP 26 -5.246 0.957 -4.664 166 2HB TRP 26 2HB TRP 26 -5.749 3.135 -3.486 167 HD1 TRP 26 HD1 TRP 26 -7.558 3.203 -6.891 168 HE1 TRP 26 HE1 TRP 26 -6.052 4.433 -8.578 169 HE3 TRP 26 HE3 TRP 26 -3.412 3.833 -3.967 170 HZ2 TRP 26 HZ2 TRP 26 -3.451 5.525 -8.658 171 HZ3 TRP 26 HZ3 TRP 26 -1.457 4.980 -4.925 172 HH2 TRP 26 HH2 TRP 26 -1.478 5.807 -7.222 173 H TRP 27 H TRP 27 -4.605 -0.025 -2.871 174 HA TRP 27 HA TRP 27 -6.585 -0.473 -0.736 175 2HB TRP 27 2HB TRP 27 -4.632 -2.271 -0.178 176 HD1 TRP 27 HD1 TRP 27 -7.939 -1.607 -1.740 177 HE1 TRP 27 HE1 TRP 27 -9.354 -3.757 -1.775 178 HE3 TRP 27 HE3 TRP 27 -4.301 -4.992 -0.539 179 HZ2 TRP 27 HZ2 TRP 27 -8.977 -6.522 -1.349 180 HZ3 TRP 27 HZ3 TRP 27 -4.912 -7.370 -0.372 181 HH2 TRP 27 HH2 TRP 27 -7.202 -8.117 -0.769 182 H LYS 28 H LYS 28 -6.298 0.912 0.881 183 HA LYS 28 HA LYS 28 -3.978 2.393 1.380 184 2HB LYS 28 2HB LYS 28 -5.872 1.741 3.602 185 2HG LYS 28 2HG LYS 28 -5.001 4.449 2.660 186 2HD LYS 28 2HD LYS 28 -5.701 3.454 5.418 187 2HE LYS 28 2HE LYS 28 -5.057 6.077 4.187 188 1HZ LYS 28 1HZ LYS 28 -6.513 6.316 6.654 189 2HZ LYS 28 2HZ LYS 28 -7.483 5.829 5.358 190 3HZ LYS 28 3HZ LYS 28 -6.594 7.265 5.255 191 H VAL 29 H VAL 29 -2.155 2.002 2.476 192 HA VAL 29 HA VAL 29 -2.040 -0.211 4.378 193 HB VAL 29 HB VAL 29 -0.092 -1.223 3.395 194 1HG1 VAL 29 1HG1 VAL 29 -2.527 -1.635 2.502 195 2HG1 VAL 29 2HG1 VAL 29 -1.865 -0.950 1.016 196 3HG1 VAL 29 3HG1 VAL 29 -1.139 -2.394 1.723 197 1HG2 VAL 29 1HG2 VAL 29 0.647 -0.455 1.093 198 2HG2 VAL 29 2HG2 VAL 29 -0.279 1.016 1.395 199 3HG2 VAL 29 3HG2 VAL 29 1.075 0.594 2.444 200 H GLU 30 H GLU 30 -0.616 0.109 6.024 201 HA GLU 30 HA GLU 30 0.682 2.721 6.115 202 2HB GLU 30 2HB GLU 30 0.101 0.659 8.241 203 2HG GLU 30 2HG GLU 30 1.415 3.346 8.580 204 H VAL 31 H VAL 31 2.851 2.855 7.155 205 HA VAL 31 HA VAL 31 4.538 0.506 6.689 206 HB VAL 31 HB VAL 31 5.012 3.226 5.471 207 1HG1 VAL 31 1HG1 VAL 31 7.157 2.761 6.097 208 2HG1 VAL 31 2HG1 VAL 31 6.894 1.015 6.108 209 3HG1 VAL 31 3HG1 VAL 31 7.100 1.868 4.578 210 1HG2 VAL 31 1HG2 VAL 31 3.631 1.156 4.439 211 2HG2 VAL 31 2HG2 VAL 31 4.552 2.301 3.463 212 3HG2 VAL 31 3HG2 VAL 31 5.259 0.745 3.897 213 H ASN 32 H ASN 32 4.388 0.596 9.074 214 HA ASN 32 HA ASN 32 5.445 0.905 11.069 215 2HB ASN 32 2HB ASN 32 7.650 1.842 11.138 216 1HD2 ASN 32 1HD2 ASN 32 7.691 1.634 7.714 217 2HD2 ASN 32 2HD2 ASN 32 8.289 0.017 7.598 218 H ASP 33 H ASP 33 6.074 4.034 9.492 219 HA ASP 33 HA ASP 33 4.292 5.296 11.467 220 2HB ASP 33 2HB ASP 33 6.435 7.052 10.615 221 H ARG 34 H ARG 34 5.257 4.945 8.221 222 HA ARG 34 HA ARG 34 3.749 7.335 7.410 223 2HB ARG 34 2HB ARG 34 5.093 7.526 5.590 224 2HG ARG 34 2HG ARG 34 6.745 5.782 7.389 225 2HD ARG 34 2HD ARG 34 7.329 5.868 4.812 226 HE ARG 34 HE ARG 34 7.770 8.562 5.517 227 1HH1 ARG 34 2HH1 ARG 34 9.265 5.921 3.812 228 2HH1 ARG 34 1HH1 ARG 34 10.155 6.947 2.736 229 1HH2 ARG 34 2HH2 ARG 34 8.936 9.924 4.106 230 2HH2 ARG 34 1HH2 ARG 34 9.968 9.223 2.905 231 H GLN 35 H GLN 35 1.787 7.105 6.567 232 HA GLN 35 HA GLN 35 1.058 4.529 5.352 233 2HB GLN 35 2HB GLN 35 -0.439 4.145 6.958 234 2HG GLN 35 2HG GLN 35 0.341 6.843 8.013 235 1HE2 GLN 35 1HE2 GLN 35 -1.773 7.593 8.379 236 2HE2 GLN 35 2HE2 GLN 35 -2.754 6.937 9.641 237 H GLY 36 H GLY 36 -0.788 4.655 3.876 238 1HA GLY 36 2HA GLY 36 -2.033 6.973 3.012 239 2HA GLY 36 1HA GLY 36 -0.533 6.865 2.103 240 H PHE 37 H PHE 37 -2.647 6.850 0.575 241 HA PHE 37 HA PHE 37 -3.710 4.200 0.161 242 2HB PHE 37 2HB PHE 37 -4.687 5.357 -1.935 243 HD1 PHE 37 HD1 PHE 37 -6.517 4.162 -0.873 244 HD2 PHE 37 HD2 PHE 37 -5.033 7.816 0.729 245 HE1 PHE 37 HE1 PHE 37 -8.537 4.370 0.518 246 HE2 PHE 37 HE2 PHE 37 -7.050 8.028 2.122 247 HZ PHE 37 HZ PHE 37 -8.805 6.304 2.018 248 H VAL 38 H VAL 38 -3.098 2.725 -1.327 249 HA VAL 38 HA VAL 38 -1.116 3.476 -3.349 250 HB VAL 38 HB VAL 38 0.089 1.279 -2.824 251 1HG1 VAL 38 1HG1 VAL 38 0.283 3.894 -1.567 252 2HG1 VAL 38 2HG1 VAL 38 1.008 2.613 -0.595 253 3HG1 VAL 38 3HG1 VAL 38 1.545 2.872 -2.254 254 1HG2 VAL 38 1HG2 VAL 38 -0.050 0.496 -0.521 255 2HG2 VAL 38 2HG2 VAL 38 -1.314 1.678 -0.182 256 3HG2 VAL 38 3HG2 VAL 38 -1.616 0.366 -1.320 257 HA PRO 39 HA PRO 39 -3.425 0.868 -6.022 258 2HB PRO 39 2HB PRO 39 -2.077 1.617 -7.725 259 2HG PRO 39 2HG PRO 39 0.190 2.004 -7.379 260 2HD PRO 39 2HD PRO 39 -0.688 3.172 -5.596 261 H ALA 40 H ALA 40 -4.279 -0.984 -5.312 262 HA ALA 40 HA ALA 40 -3.034 -2.966 -3.839 263 1HB ALA 40 1HB ALA 40 -5.330 -3.086 -3.766 264 2HB ALA 40 2HB ALA 40 -5.504 -2.903 -5.512 265 3HB ALA 40 3HB ALA 40 -4.949 -4.435 -4.838 266 H ALA 41 H ALA 41 -2.751 -2.301 -7.176 267 HA ALA 41 HA ALA 41 -2.157 -4.897 -8.140 268 1HB ALA 41 1HB ALA 41 -2.337 -3.758 -10.036 269 2HB ALA 41 2HB ALA 41 -2.207 -2.222 -9.180 270 3HB ALA 41 3HB ALA 41 -0.750 -3.058 -9.717 271 H TYR 42 H TYR 42 -0.296 -2.495 -6.454 272 HA TYR 42 HA TYR 42 2.227 -3.820 -7.035 273 2HB TYR 42 2HB TYR 42 3.131 -2.007 -5.480 274 HD1 TYR 42 HD1 TYR 42 4.492 -0.624 -6.733 275 HD2 TYR 42 HD2 TYR 42 0.609 -1.555 -8.201 276 HE1 TYR 42 HE1 TYR 42 4.991 0.595 -8.811 277 HE2 TYR 42 HE2 TYR 42 1.097 -0.339 -10.283 278 HH TYR 42 HH TYR 42 3.932 0.354 -11.385 279 H VAL 43 H VAL 43 -0.274 -4.187 -4.861 280 HA VAL 43 HA VAL 43 1.489 -5.615 -2.983 281 HB VAL 43 HB VAL 43 -0.189 -5.034 -1.180 282 1HG1 VAL 43 1HG1 VAL 43 0.699 -2.542 -1.147 283 2HG1 VAL 43 2HG1 VAL 43 1.773 -3.912 -0.859 284 3HG1 VAL 43 3HG1 VAL 43 1.725 -3.147 -2.448 285 1HG2 VAL 43 1HG2 VAL 43 -1.107 -3.148 -3.335 286 2HG2 VAL 43 2HG2 VAL 43 -2.067 -4.303 -2.412 287 3HG2 VAL 43 3HG2 VAL 43 -1.423 -2.863 -1.623 288 H LYS 44 H LYS 44 -0.015 -7.048 -1.493 289 HA LYS 44 HA LYS 44 -2.403 -8.089 -2.590 290 2HB LYS 44 2HB LYS 44 0.168 -9.446 -3.310 291 2HG LYS 44 2HG LYS 44 -1.670 -11.311 -4.001 292 2HD LYS 44 2HD LYS 44 -0.757 -12.653 -2.123 293 2HE LYS 44 2HE LYS 44 1.691 -11.328 -2.929 294 1HZ LYS 44 1HZ LYS 44 0.428 -13.956 -3.254 295 2HZ LYS 44 2HZ LYS 44 1.924 -13.559 -2.572 296 3HZ LYS 44 3HZ LYS 44 1.733 -13.554 -4.252 297 H LYS 45 H LYS 45 -3.403 -9.531 -1.207 298 HA LYS 45 HA LYS 45 -2.588 -9.505 1.486 299 2HB LYS 45 2HB LYS 45 -4.361 -11.626 1.278 300 2HG LYS 45 2HG LYS 45 -5.419 -8.838 1.300 301 2HD LYS 45 2HD LYS 45 -6.032 -10.835 3.388 302 2HE LYS 45 2HE LYS 45 -7.359 -8.645 1.911 303 1HZ LYS 45 1HZ LYS 45 -8.828 -10.477 1.391 304 2HZ LYS 45 2HZ LYS 45 -9.555 -9.464 2.535 305 3HZ LYS 45 3HZ LYS 45 -8.886 -10.940 3.018 306 H LEU 46 H LEU 46 -1.817 -11.157 2.832 307 HA LEU 46 HA LEU 46 -0.364 -13.284 1.408 308 2HB LEU 46 2HB LEU 46 1.131 -13.332 3.365 309 HG LEU 46 HG LEU 46 0.881 -10.846 1.774 310 1HD1 LEU 46 1HD1 LEU 46 3.113 -10.417 3.384 311 2HD1 LEU 46 2HD1 LEU 46 1.811 -10.822 4.501 312 3HD1 LEU 46 3HD1 LEU 46 1.616 -9.486 3.366 313 1HD2 LEU 46 1HD2 LEU 46 3.503 -12.015 2.247 314 2HD2 LEU 46 2HD2 LEU 46 2.661 -11.694 0.730 315 3HD2 LEU 46 3HD2 LEU 46 2.335 -13.180 1.623 316 H ASP 47 H ASP 47 0.193 -15.102 3.197 317 HA ASP 47 HA ASP 47 -2.428 -15.983 4.206 318 2HB ASP 47 2HB ASP 47 -1.100 -18.273 4.202 319 H SER 48 H SER 48 -2.663 -15.771 6.323 320 HA SER 48 HA SER 48 -0.295 -16.113 8.043 321 2HB SER 48 2HB SER 48 -2.697 -14.761 9.140 322 HG SER 48 HG SER 48 -0.977 -13.392 9.934 323 H GLY 49 H GLY 49 -3.820 -16.612 7.948 324 1HA GLY 49 2HA GLY 49 -5.041 -18.451 8.649 325 2HA GLY 49 1HA GLY 49 -3.535 -19.234 9.102 326 H THR 50 H THR 50 -3.871 -16.111 10.383 327 HA THR 50 HA THR 50 -4.683 -17.249 12.978 328 HB THR 50 HB THR 50 -2.411 -16.520 13.143 329 HG1 THR 50 HG1 THR 50 -3.964 -14.395 14.225 330 1HG2 THR 50 1HG2 THR 50 -3.410 -14.085 11.712 331 2HG2 THR 50 2HG2 THR 50 -2.007 -15.093 11.356 332 3HG2 THR 50 3HG2 THR 50 -1.975 -13.991 12.732 333 H GLY 51 H GLY 51 -5.311 -14.851 10.582 334 1HA GLY 51 2HA GLY 51 -7.508 -13.863 10.480 335 2HA GLY 51 1HA GLY 51 -7.531 -13.846 12.237 336 H LYS 52 H LYS 52 -4.846 -12.811 10.207 337 HA LYS 52 HA LYS 52 -5.166 -10.104 11.312 338 2HB LYS 52 2HB LYS 52 -2.743 -9.833 10.759 339 2HG LYS 52 2HG LYS 52 -1.868 -11.551 12.422 340 2HD LYS 52 2HD LYS 52 -3.245 -10.490 14.319 341 2HE LYS 52 2HE LYS 52 -1.966 -8.559 12.398 342 1HZ LYS 52 1HZ LYS 52 -1.080 -7.965 14.835 343 2HZ LYS 52 2HZ LYS 52 -2.618 -8.550 15.225 344 3HZ LYS 52 3HZ LYS 52 -2.454 -7.257 14.146 345 H GLU 53 H GLU 53 -4.466 -8.306 9.898 346 HA GLU 53 HA GLU 53 -5.206 -8.844 7.098 347 2HB GLU 53 2HB GLU 53 -6.214 -6.715 6.966 348 2HG GLU 53 2HG GLU 53 -7.285 -6.658 9.525 349 H LEU 54 H LEU 54 -3.105 -9.251 6.385 350 HA LEU 54 HA LEU 54 -1.339 -6.893 6.360 351 2HB LEU 54 2HB LEU 54 0.017 -8.239 7.552 352 HG LEU 54 HG LEU 54 -1.675 -10.125 7.710 353 1HD1 LEU 54 1HD1 LEU 54 -0.754 -10.540 5.035 354 2HD1 LEU 54 2HD1 LEU 54 -2.038 -11.369 5.914 355 3HD1 LEU 54 3HD1 LEU 54 -0.378 -11.957 6.017 356 1HD2 LEU 54 1HD2 LEU 54 0.338 -11.842 7.925 357 2HD2 LEU 54 2HD2 LEU 54 0.105 -10.521 9.072 358 3HD2 LEU 54 3HD2 LEU 54 1.283 -10.360 7.767 359 H VAL 55 H VAL 55 0.088 -6.749 4.480 360 HA VAL 55 HA VAL 55 -0.691 -8.289 2.135 361 HB VAL 55 HB VAL 55 -0.711 -5.849 0.979 362 1HG1 VAL 55 1HG1 VAL 55 -2.883 -7.604 2.030 363 2HG1 VAL 55 2HG1 VAL 55 -3.299 -6.073 1.257 364 3HG1 VAL 55 3HG1 VAL 55 -2.393 -7.296 0.364 365 1HG2 VAL 55 1HG2 VAL 55 -1.884 -5.502 3.731 366 2HG2 VAL 55 2HG2 VAL 55 -0.592 -4.564 2.983 367 3HG2 VAL 55 3HG2 VAL 55 -2.242 -4.432 2.376 368 H LEU 56 H LEU 56 1.118 -8.867 1.146 369 HA LEU 56 HA LEU 56 3.615 -7.562 1.720 370 2HB LEU 56 2HB LEU 56 2.854 -9.866 -0.058 371 HG LEU 56 HG LEU 56 5.517 -8.573 0.220 372 1HD1 LEU 56 1HD1 LEU 56 5.462 -10.925 1.342 373 2HD1 LEU 56 2HD1 LEU 56 6.752 -10.513 0.213 374 3HD1 LEU 56 3HD1 LEU 56 5.396 -11.504 -0.322 375 1HD2 LEU 56 1HD2 LEU 56 4.094 -8.570 -1.861 376 2HD2 LEU 56 2HD2 LEU 56 4.386 -10.306 -1.965 377 3HD2 LEU 56 3HD2 LEU 56 5.737 -9.178 -2.058 378 H ALA 57 H ALA 57 5.063 -6.709 0.114 379 HA ALA 57 HA ALA 57 3.632 -5.204 -1.937 380 1HB ALA 57 1HB ALA 57 5.911 -4.712 -0.265 381 2HB ALA 57 2HB ALA 57 6.339 -4.474 -1.960 382 3HB ALA 57 3HB ALA 57 4.988 -3.583 -1.258 383 H LEU 58 H LEU 58 3.514 -6.007 -3.921 384 HA LEU 58 HA LEU 58 5.345 -8.057 -4.814 385 2HB LEU 58 2HB LEU 58 3.864 -8.476 -6.518 386 HG LEU 58 HG LEU 58 2.016 -7.079 -4.583 387 1HD1 LEU 58 1HD1 LEU 58 0.265 -8.369 -5.527 388 2HD1 LEU 58 2HD1 LEU 58 1.391 -9.300 -6.514 389 3HD1 LEU 58 3HD1 LEU 58 1.109 -7.596 -6.870 390 1HD2 LEU 58 1HD2 LEU 58 3.593 -9.479 -4.353 391 2HD2 LEU 58 2HD2 LEU 58 1.870 -9.850 -4.280 392 3HD2 LEU 58 3HD2 LEU 58 2.571 -8.686 -3.154 393 H TYR 59 H TYR 59 4.582 -4.704 -5.627 394 HA TYR 59 HA TYR 59 7.036 -4.626 -7.258 395 2HB TYR 59 2HB TYR 59 6.033 -3.171 -8.798 396 HD1 TYR 59 HD1 TYR 59 5.879 -6.172 -8.500 397 HD2 TYR 59 HD2 TYR 59 2.849 -3.230 -9.017 398 HE1 TYR 59 HE1 TYR 59 4.427 -7.859 -9.547 399 HE2 TYR 59 HE2 TYR 59 1.389 -4.910 -10.063 400 HH TYR 59 HH TYR 59 2.444 -8.282 -10.442 401 H ASP 60 H ASP 60 7.528 -2.073 -7.592 402 HA ASP 60 HA ASP 60 7.895 -1.063 -4.861 403 2HB ASP 60 2HB ASP 60 9.334 -0.246 -7.392 404 H TYR 61 H TYR 61 6.703 0.584 -4.191 405 HA TYR 61 HA TYR 61 5.652 2.471 -6.194 406 2HB TYR 61 2HB TYR 61 4.222 1.507 -3.707 407 HD1 TYR 61 HD1 TYR 61 3.876 3.956 -3.135 408 HD2 TYR 61 HD2 TYR 61 2.408 2.199 -6.723 409 HE1 TYR 61 HE1 TYR 61 2.296 5.823 -3.396 410 HE2 TYR 61 HE2 TYR 61 0.825 4.062 -6.994 411 HH TYR 61 HH TYR 61 0.664 6.465 -6.244 412 H GLN 62 H GLN 62 5.016 4.594 -5.226 413 HA GLN 62 HA GLN 62 6.349 5.321 -2.757 414 2HB GLN 62 2HB GLN 62 7.126 7.222 -4.801 415 2HG GLN 62 2HG GLN 62 9.440 6.549 -3.941 416 1HE2 GLN 62 1HE2 GLN 62 6.514 7.078 -2.002 417 2HE2 GLN 62 2HE2 GLN 62 7.032 8.578 -1.319 418 H GLU 63 H GLU 63 4.730 6.317 -1.750 419 HA GLU 63 HA GLU 63 2.951 8.073 -3.284 420 2HB GLU 63 2HB GLU 63 2.284 7.679 -0.471 421 2HG GLU 63 2HG GLU 63 0.149 7.476 -1.203 422 H SER 64 H SER 64 2.021 9.725 -1.304 423 HA SER 64 HA SER 64 4.094 10.991 0.175 424 2HB SER 64 2HB SER 64 3.209 12.331 -2.392 425 HG SER 64 HG SER 64 4.383 14.076 -1.700 426 H GLY 65 H GLY 65 2.855 11.340 1.915 427 1HA GLY 65 2HA GLY 65 1.234 12.266 3.252 428 2HA GLY 65 1HA GLY 65 0.938 13.405 1.947 429 H ASP 66 H ASP 66 -0.518 11.186 3.828 430 HA ASP 66 HA ASP 66 -2.008 9.441 2.451 431 2HB ASP 66 2HB ASP 66 -2.300 9.929 4.861 432 H ASN 67 H ASN 67 -2.688 9.711 0.410 433 HA ASN 67 HA ASN 67 -4.467 11.994 -0.138 434 2HB ASN 67 2HB ASN 67 -3.672 11.904 -2.493 435 1HD2 ASN 67 1HD2 ASN 67 -3.512 13.623 -0.358 436 2HD2 ASN 67 2HD2 ASN 67 -1.942 14.344 -0.319 437 H ALA 68 H ALA 68 -6.378 11.575 -1.134 438 HA ALA 68 HA ALA 68 -7.309 8.868 -1.141 439 1HB ALA 68 1HB ALA 68 -9.360 10.083 -2.248 440 2HB ALA 68 2HB ALA 68 -8.997 10.290 -0.534 441 3HB ALA 68 3HB ALA 68 -8.520 11.532 -1.691 442 HA PRO 69 HA PRO 69 -6.284 7.802 -5.298 443 2HB PRO 69 2HB PRO 69 -6.529 5.618 -4.629 444 2HG PRO 69 2HG PRO 69 -8.113 5.022 -3.035 445 2HD PRO 69 2HD PRO 69 -7.088 6.773 -1.941 446 H SER 70 H SER 70 -7.245 9.882 -6.033 447 HA SER 70 HA SER 70 -9.982 9.728 -7.014 448 2HB SER 70 2HB SER 70 -9.122 11.805 -5.922 449 HG SER 70 HG SER 70 -7.413 12.773 -6.677 450 H TYR 71 H TYR 71 -7.065 8.706 -8.093 451 HA TYR 71 HA TYR 71 -7.918 8.920 -10.897 452 2HB TYR 71 2HB TYR 71 -6.165 10.497 -10.809 453 HD1 TYR 71 HD1 TYR 71 -4.688 11.652 -9.474 454 HD2 TYR 71 HD2 TYR 71 -4.730 7.403 -9.269 455 HE1 TYR 71 HE1 TYR 71 -2.984 11.726 -7.701 456 HE2 TYR 71 HE2 TYR 71 -3.029 7.466 -7.494 457 HH TYR 71 HH TYR 71 -1.077 9.683 -6.896 458 H SER 72 H SER 72 -6.584 7.330 -12.283 459 HA SER 72 HA SER 72 -7.012 4.721 -11.213 460 2HB SER 72 2HB SER 72 -5.749 4.123 -13.460 461 HG SER 72 HG SER 72 -7.725 4.362 -14.519 462 HA PRO 73 HA PRO 73 -3.082 3.754 -9.513 463 2HB PRO 73 2HB PRO 73 -4.003 1.763 -8.831 464 2HG PRO 73 2HG PRO 73 -5.538 0.633 -10.164 465 2HD PRO 73 2HD PRO 73 -6.473 2.740 -10.181 466 HA PRO 74 HA PRO 74 -0.080 4.020 -12.738 467 2HB PRO 74 2HB PRO 74 1.319 4.924 -11.156 468 2HG PRO 74 2HG PRO 74 1.245 4.211 -8.943 469 2HD PRO 74 2HD PRO 74 -0.995 4.610 -9.305 470 HA PRO 75 HA PRO 75 0.482 -0.053 -14.335 471 2HB PRO 75 2HB PRO 75 0.864 0.954 -16.365 472 2HG PRO 75 2HG PRO 75 1.973 2.993 -16.504 473 2HD PRO 75 2HD PRO 75 0.402 3.504 -14.897 474 HA PRO 76 HA PRO 76 3.700 -1.621 -11.663 475 2HB PRO 76 2HB PRO 76 2.215 -3.282 -11.104 476 2HG PRO 76 2HG PRO 76 0.615 -4.021 -12.621 477 2HD PRO 76 2HD PRO 76 0.272 -1.746 -12.759 478 HA PRO 77 HA PRO 77 7.134 -2.600 -14.230 479 2HB PRO 77 2HB PRO 77 8.382 -2.890 -12.321 480 2HG PRO 77 2HG PRO 77 7.478 -3.921 -10.444 481 2HD PRO 77 2HD PRO 77 5.825 -2.375 -10.881 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -5.149 19.645 -3.830 2 1HA GLY 1 2HA GLY 1 -3.735 17.885 -3.224 3 2HA GLY 1 1HA GLY 1 -2.557 19.128 -3.620 4 H ALA 2 H ALA 2 -3.925 17.196 -1.150 5 HA ALA 2 HA ALA 2 -2.736 18.724 1.014 6 1HB ALA 2 1HB ALA 2 -3.884 17.338 2.483 7 2HB ALA 2 2HB ALA 2 -4.968 17.437 1.096 8 3HB ALA 2 3HB ALA 2 -3.960 16.009 1.327 9 H MET 3 H MET 3 -0.523 18.600 0.603 10 HA MET 3 HA MET 3 0.814 16.115 0.162 11 2HB MET 3 2HB MET 3 2.485 18.254 1.224 12 2HG MET 3 2HG MET 3 2.625 16.274 -0.781 13 1HE MET 3 1HE MET 3 4.059 17.308 -4.130 14 2HE MET 3 2HE MET 3 4.272 16.263 -2.725 15 3HE MET 3 3HE MET 3 2.757 16.229 -3.629 16 H GLY 4 H GLY 4 0.033 14.840 1.929 17 1HA GLY 4 2HA GLY 4 0.309 15.498 4.637 18 2HA GLY 4 1HA GLY 4 0.235 13.864 3.996 19 HA PRO 5 HA PRO 5 4.621 15.249 5.447 20 2HB PRO 5 2HB PRO 5 4.151 16.249 7.460 21 2HG PRO 5 2HG PRO 5 2.180 15.780 8.603 22 2HD PRO 5 2HD PRO 5 1.328 16.243 6.511 23 H ARG 6 H ARG 6 2.487 12.586 6.225 24 HA ARG 6 HA ARG 6 4.718 10.743 6.560 25 2HB ARG 6 2HB ARG 6 3.111 10.159 8.096 26 2HG ARG 6 2HG ARG 6 0.618 9.926 7.197 27 2HD ARG 6 2HD ARG 6 0.715 12.629 7.789 28 HE ARG 6 HE ARG 6 0.213 10.248 9.355 29 1HH1 ARG 6 2HH1 ARG 6 0.251 13.728 9.269 30 2HH1 ARG 6 1HH1 ARG 6 -0.846 13.902 10.599 31 1HH2 ARG 6 2HH2 ARG 6 -1.233 10.464 11.106 32 2HH2 ARG 6 1HH2 ARG 6 -1.689 12.046 11.643 33 H GLU 7 H GLU 7 5.620 9.876 4.819 34 HA GLU 7 HA GLU 7 3.969 9.465 2.422 35 2HB GLU 7 2HB GLU 7 5.778 10.824 1.817 36 2HG GLU 7 2HG GLU 7 8.156 9.563 2.416 37 H VAL 8 H VAL 8 3.420 7.464 1.881 38 HA VAL 8 HA VAL 8 4.812 5.224 3.169 39 HB VAL 8 HB VAL 8 2.455 5.199 3.602 40 1HG1 VAL 8 1HG1 VAL 8 0.786 5.122 1.811 41 2HG1 VAL 8 2HG1 VAL 8 1.724 6.617 1.759 42 3HG1 VAL 8 3HG1 VAL 8 2.065 5.321 0.612 43 1HG2 VAL 8 1HG2 VAL 8 2.423 2.989 3.380 44 2HG2 VAL 8 2HG2 VAL 8 2.197 3.124 1.636 45 3HG2 VAL 8 3HG2 VAL 8 3.824 3.111 2.316 46 H THR 9 H THR 9 6.211 4.093 2.009 47 HA THR 9 HA THR 9 5.802 3.891 -0.901 48 HB THR 9 HB THR 9 8.268 3.848 -1.176 49 HG1 THR 9 HG1 THR 9 8.793 3.266 0.996 50 1HG2 THR 9 1HG2 THR 9 8.225 6.413 0.036 51 2HG2 THR 9 2HG2 THR 9 6.613 6.094 -0.604 52 3HG2 THR 9 3HG2 THR 9 8.018 6.005 -1.666 53 H MET 10 H MET 10 5.441 1.861 -1.486 54 HA MET 10 HA MET 10 6.219 -0.324 0.261 55 2HB MET 10 2HB MET 10 4.814 -1.709 -1.095 56 2HG MET 10 2HG MET 10 3.757 0.934 -0.348 57 1HE MET 10 1HE MET 10 1.686 -1.717 -3.419 58 2HE MET 10 2HE MET 10 3.233 -0.956 -3.793 59 3HE MET 10 3HE MET 10 3.108 -2.079 -2.439 60 H LYS 11 H LYS 11 7.645 -1.950 -0.247 61 HA LYS 11 HA LYS 11 9.169 -1.655 -2.747 62 2HB LYS 11 2HB LYS 11 10.713 -2.666 -0.469 63 2HG LYS 11 2HG LYS 11 11.959 -0.408 -1.428 64 2HD LYS 11 2HD LYS 11 12.347 -3.018 -2.821 65 2HE LYS 11 2HE LYS 11 14.407 -1.409 -1.370 66 1HZ LYS 11 1HZ LYS 11 14.714 -3.651 -2.621 67 2HZ LYS 11 2HZ LYS 11 15.874 -2.430 -2.777 68 3HZ LYS 11 3HZ LYS 11 14.731 -2.672 -4.000 69 H LYS 12 H LYS 12 9.724 -3.517 -3.778 70 HA LYS 12 HA LYS 12 8.253 -5.811 -3.486 71 2HB LYS 12 2HB LYS 12 11.051 -6.151 -4.432 72 2HG LYS 12 2HG LYS 12 8.430 -7.226 -5.049 73 2HD LYS 12 2HD LYS 12 8.826 -5.663 -7.007 74 2HE LYS 12 2HE LYS 12 11.180 -7.495 -7.274 75 1HZ LYS 12 1HZ LYS 12 11.259 -6.404 -9.610 76 2HZ LYS 12 2HZ LYS 12 9.579 -6.311 -9.436 77 3HZ LYS 12 3HZ LYS 12 10.353 -7.814 -9.376 78 H GLY 13 H GLY 13 8.091 -7.164 -1.828 79 1HA GLY 13 2HA GLY 13 8.926 -8.880 -0.440 80 2HA GLY 13 1HA GLY 13 10.534 -8.188 -0.592 81 H ASP 14 H ASP 14 7.449 -6.738 0.417 82 HA ASP 14 HA ASP 14 8.510 -6.386 3.116 83 2HB ASP 14 2HB ASP 14 7.181 -3.978 2.065 84 H ILE 15 H ILE 15 6.913 -5.992 4.707 85 HA ILE 15 HA ILE 15 4.189 -6.679 3.823 86 HB ILE 15 HB ILE 15 5.430 -7.146 6.537 87 2HG1 ILE 15 2HG1 ILE 15 6.293 -8.544 4.578 88 1HG2 ILE 15 1HG2 ILE 15 2.725 -7.045 5.696 89 2HG2 ILE 15 2HG2 ILE 15 3.121 -8.727 6.049 90 3HG2 ILE 15 3HG2 ILE 15 3.368 -7.486 7.279 91 1HD1 ILE 15 1HD1 ILE 15 4.932 -9.934 6.870 92 2HD1 ILE 15 2HD1 ILE 15 6.039 -10.718 5.742 93 3HD1 ILE 15 3HD1 ILE 15 6.614 -9.411 6.778 94 H LEU 16 H LEU 16 2.810 -5.043 3.887 95 HA LEU 16 HA LEU 16 3.158 -2.988 5.971 96 2HB LEU 16 2HB LEU 16 2.583 -1.323 4.508 97 HG LEU 16 HG LEU 16 4.526 -2.942 3.463 98 1HD1 LEU 16 1HD1 LEU 16 3.529 -4.075 1.784 99 2HD1 LEU 16 2HD1 LEU 16 3.790 -2.566 0.911 100 3HD1 LEU 16 3HD1 LEU 16 2.216 -2.909 1.626 101 1HD2 LEU 16 1HD2 LEU 16 4.425 -0.840 1.698 102 2HD2 LEU 16 2HD2 LEU 16 5.192 -0.817 3.287 103 3HD2 LEU 16 3HD2 LEU 16 3.542 -0.222 3.095 104 H THR 17 H THR 17 1.518 -2.668 7.335 105 HA THR 17 HA THR 17 -0.556 -4.350 7.760 106 HB THR 17 HB THR 17 -0.698 -1.361 8.203 107 HG1 THR 17 HG1 THR 17 0.666 -1.696 9.784 108 1HG2 THR 17 1HG2 THR 17 -2.862 -2.536 8.435 109 2HG2 THR 17 2HG2 THR 17 -2.278 -1.888 9.967 110 3HG2 THR 17 3HG2 THR 17 -2.127 -3.610 9.625 111 H LEU 18 H LEU 18 -2.372 -4.907 6.753 112 HA LEU 18 HA LEU 18 -3.121 -3.713 4.283 113 2HB LEU 18 2HB LEU 18 -4.786 -5.587 5.949 114 HG LEU 18 HG LEU 18 -5.002 -6.525 3.426 115 1HD1 LEU 18 1HD1 LEU 18 -7.224 -5.814 3.507 116 2HD1 LEU 18 2HD1 LEU 18 -6.822 -4.354 4.409 117 3HD1 LEU 18 3HD1 LEU 18 -6.744 -5.928 5.201 118 1HD2 LEU 18 1HD2 LEU 18 -3.725 -4.556 2.573 119 2HD2 LEU 18 2HD2 LEU 18 -5.044 -3.526 3.131 120 3HD2 LEU 18 3HD2 LEU 18 -5.335 -4.734 1.878 121 H LEU 19 H LEU 19 -3.280 -1.504 5.350 122 HA LEU 19 HA LEU 19 -5.326 -0.763 7.072 123 2HB LEU 19 2HB LEU 19 -5.160 1.431 5.541 124 HG LEU 19 HG LEU 19 -4.391 1.591 7.786 125 1HD1 LEU 19 1HD1 LEU 19 -3.401 -0.481 8.235 126 2HD1 LEU 19 2HD1 LEU 19 -2.075 0.676 8.342 127 3HD1 LEU 19 3HD1 LEU 19 -2.256 -0.325 6.903 128 1HD2 LEU 19 1HD2 LEU 19 -1.961 2.167 6.110 129 2HD2 LEU 19 2HD2 LEU 19 -2.531 3.021 7.544 130 3HD2 LEU 19 3HD2 LEU 19 -3.428 3.145 6.030 131 H ASN 20 H ASN 20 -7.031 0.987 6.102 132 HA ASN 20 HA ASN 20 -9.185 -0.372 5.171 133 2HB ASN 20 2HB ASN 20 -9.264 2.208 3.933 134 1HD2 ASN 20 1HD2 ASN 20 -11.411 1.809 3.804 135 2HD2 ASN 20 2HD2 ASN 20 -12.457 1.709 5.176 136 H SER 21 H SER 21 -9.123 -1.770 3.513 137 HA SER 21 HA SER 21 -7.866 -0.960 0.997 138 2HB SER 21 2HB SER 21 -7.138 -3.115 1.676 139 HG SER 21 HG SER 21 -9.706 -4.199 1.800 140 H THR 22 H THR 22 -10.565 -0.091 2.106 141 HA THR 22 HA THR 22 -12.714 -1.164 0.785 142 HB THR 22 HB THR 22 -13.081 0.603 2.356 143 HG1 THR 22 HG1 THR 22 -13.772 1.701 -0.175 144 1HG2 THR 22 1HG2 THR 22 -12.170 2.712 2.285 145 2HG2 THR 22 2HG2 THR 22 -12.006 2.700 0.528 146 3HG2 THR 22 3HG2 THR 22 -10.877 1.785 1.526 147 H ASN 23 H ASN 23 -10.516 1.351 -0.447 148 HA ASN 23 HA ASN 23 -11.729 1.724 -2.930 149 2HB ASN 23 2HB ASN 23 -9.025 2.098 -3.418 150 1HD2 ASN 23 1HD2 ASN 23 -10.236 3.388 -4.862 151 2HD2 ASN 23 2HD2 ASN 23 -10.805 4.950 -4.392 152 H LYS 24 H LYS 24 -12.133 0.242 -4.422 153 HA LYS 24 HA LYS 24 -10.823 -2.265 -4.564 154 2HB LYS 24 2HB LYS 24 -13.184 -1.404 -5.456 155 2HG LYS 24 2HG LYS 24 -11.420 -1.322 -7.895 156 2HD LYS 24 2HD LYS 24 -14.300 -0.798 -8.149 157 2HE LYS 24 2HE LYS 24 -12.789 -0.808 -10.063 158 1HZ LYS 24 1HZ LYS 24 -12.445 -3.658 -10.158 159 2HZ LYS 24 2HZ LYS 24 -11.593 -2.934 -8.889 160 3HZ LYS 24 3HZ LYS 24 -11.333 -2.425 -10.481 161 H ASP 25 H ASP 25 -10.197 0.822 -5.996 162 HA ASP 25 HA ASP 25 -8.269 -0.341 -7.871 163 2HB ASP 25 2HB ASP 25 -8.169 1.881 -8.882 164 H TRP 26 H TRP 26 -8.325 0.685 -4.753 165 HA TRP 26 HA TRP 26 -5.453 0.971 -4.675 166 2HB TRP 26 2HB TRP 26 -5.593 3.130 -3.373 167 HD1 TRP 26 HD1 TRP 26 -7.650 3.458 -6.631 168 HE1 TRP 26 HE1 TRP 26 -6.184 4.637 -8.385 169 HE3 TRP 26 HE3 TRP 26 -3.287 3.742 -3.981 170 HZ2 TRP 26 HZ2 TRP 26 -3.527 5.566 -8.616 171 HZ3 TRP 26 HZ3 TRP 26 -1.330 4.790 -5.042 172 HH2 TRP 26 HH2 TRP 26 -1.450 5.682 -7.312 173 H TRP 27 H TRP 27 -4.693 0.021 -2.894 174 HA TRP 27 HA TRP 27 -6.582 -0.487 -0.693 175 2HB TRP 27 2HB TRP 27 -4.645 -2.297 -0.235 176 HD1 TRP 27 HD1 TRP 27 -7.871 -1.613 -2.036 177 HE1 TRP 27 HE1 TRP 27 -9.292 -3.758 -2.107 178 HE3 TRP 27 HE3 TRP 27 -4.367 -4.963 -0.411 179 HZ2 TRP 27 HZ2 TRP 27 -8.970 -6.505 -1.546 180 HZ3 TRP 27 HZ3 TRP 27 -5.005 -7.330 -0.206 181 HH2 TRP 27 HH2 TRP 27 -7.260 -8.084 -0.763 182 H LYS 28 H LYS 28 -6.247 0.939 0.888 183 HA LYS 28 HA LYS 28 -3.894 2.371 1.356 184 2HB LYS 28 2HB LYS 28 -5.825 1.723 3.562 185 2HG LYS 28 2HG LYS 28 -4.759 4.413 2.787 186 2HD LYS 28 2HD LYS 28 -5.457 3.408 5.524 187 2HE LYS 28 2HE LYS 28 -5.143 6.060 4.178 188 1HZ LYS 28 1HZ LYS 28 -7.355 5.840 5.440 189 2HZ LYS 28 2HZ LYS 28 -6.358 7.165 5.779 190 3HZ LYS 28 3HZ LYS 28 -6.397 5.844 6.835 191 H VAL 29 H VAL 29 -2.095 2.006 2.533 192 HA VAL 29 HA VAL 29 -1.984 -0.280 4.344 193 HB VAL 29 HB VAL 29 0.047 -1.178 3.366 194 1HG1 VAL 29 1HG1 VAL 29 -2.217 -0.878 1.400 195 2HG1 VAL 29 2HG1 VAL 29 -0.891 -2.029 1.220 196 3HG1 VAL 29 3HG1 VAL 29 -1.997 -2.161 2.589 197 1HG2 VAL 29 1HG2 VAL 29 0.759 -0.361 1.098 198 2HG2 VAL 29 2HG2 VAL 29 -0.294 1.031 1.346 199 3HG2 VAL 29 3HG2 VAL 29 1.072 0.753 2.428 200 H GLU 30 H GLU 30 -0.610 0.000 6.037 201 HA GLU 30 HA GLU 30 0.703 2.611 6.216 202 2HB GLU 30 2HB GLU 30 -0.082 0.584 8.309 203 2HG GLU 30 2HG GLU 30 1.049 3.283 8.936 204 H VAL 31 H VAL 31 2.853 2.827 6.949 205 HA VAL 31 HA VAL 31 4.505 0.428 6.495 206 HB VAL 31 HB VAL 31 5.415 3.290 6.208 207 1HG1 VAL 31 1HG1 VAL 31 6.621 0.613 5.618 208 2HG1 VAL 31 2HG1 VAL 31 7.153 2.056 4.753 209 3HG1 VAL 31 3HG1 VAL 31 7.306 1.972 6.509 210 1HG2 VAL 31 1HG2 VAL 31 5.215 1.898 3.711 211 2HG2 VAL 31 2HG2 VAL 31 3.648 1.896 4.522 212 3HG2 VAL 31 3HG2 VAL 31 4.472 3.422 4.200 213 H ASN 32 H ASN 32 3.508 0.621 8.988 214 HA ASN 32 HA ASN 32 4.239 0.416 11.145 215 2HB ASN 32 2HB ASN 32 6.547 0.481 11.676 216 1HD2 ASN 32 1HD2 ASN 32 7.166 0.696 8.290 217 2HD2 ASN 32 2HD2 ASN 32 7.281 -1.002 7.986 218 H ASP 33 H ASP 33 5.480 3.334 9.539 219 HA ASP 33 HA ASP 33 4.421 4.909 11.796 220 2HB ASP 33 2HB ASP 33 6.306 6.551 10.686 221 H ARG 34 H ARG 34 5.204 4.979 8.330 222 HA ARG 34 HA ARG 34 3.411 7.238 7.932 223 2HB ARG 34 2HB ARG 34 4.349 7.467 5.801 224 2HG ARG 34 2HG ARG 34 6.189 6.917 7.921 225 2HD ARG 34 2HD ARG 34 6.797 5.684 5.329 226 HE ARG 34 HE ARG 34 8.305 7.877 5.750 227 1HH1 ARG 34 2HH1 ARG 34 8.965 4.468 5.998 228 2HH1 ARG 34 1HH1 ARG 34 10.640 4.629 5.584 229 1HH2 ARG 34 2HH2 ARG 34 10.508 8.103 5.204 230 2HH2 ARG 34 1HH2 ARG 34 11.517 6.697 5.133 231 H GLN 35 H GLN 35 2.252 6.894 5.577 232 HA GLN 35 HA GLN 35 1.125 4.376 5.036 233 2HB GLN 35 2HB GLN 35 -0.459 4.191 6.596 234 2HG GLN 35 2HG GLN 35 0.489 6.887 7.418 235 1HE2 GLN 35 1HE2 GLN 35 -1.768 7.699 6.889 236 2HE2 GLN 35 2HE2 GLN 35 -2.930 7.613 8.164 237 H GLY 36 H GLY 36 -1.150 4.793 3.832 238 1HA GLY 36 2HA GLY 36 -2.000 6.994 2.607 239 2HA GLY 36 1HA GLY 36 -0.478 6.738 1.767 240 H PHE 37 H PHE 37 -2.752 6.762 0.307 241 HA PHE 37 HA PHE 37 -3.775 4.087 -0.042 242 2HB PHE 37 2HB PHE 37 -4.908 5.179 -2.066 243 HD1 PHE 37 HD1 PHE 37 -4.896 7.581 0.730 244 HD2 PHE 37 HD2 PHE 37 -6.814 4.223 -1.047 245 HE1 PHE 37 HE1 PHE 37 -6.802 7.866 2.259 246 HE2 PHE 37 HE2 PHE 37 -8.724 4.503 0.478 247 HZ PHE 37 HZ PHE 37 -8.721 6.327 2.133 248 H VAL 38 H VAL 38 -2.915 2.559 -1.275 249 HA VAL 38 HA VAL 38 -1.096 3.358 -3.453 250 HB VAL 38 HB VAL 38 0.037 1.075 -2.944 251 1HG1 VAL 38 1HG1 VAL 38 0.399 3.731 -1.749 252 2HG1 VAL 38 2HG1 VAL 38 1.220 2.418 -0.901 253 3HG1 VAL 38 3HG1 VAL 38 1.546 2.707 -2.611 254 1HG2 VAL 38 1HG2 VAL 38 0.013 0.485 -0.553 255 2HG2 VAL 38 2HG2 VAL 38 -1.250 1.686 -0.283 256 3HG2 VAL 38 3HG2 VAL 38 -1.569 0.285 -1.306 257 HA PRO 39 HA PRO 39 -3.423 0.790 -6.147 258 2HB PRO 39 2HB PRO 39 -2.047 1.507 -7.840 259 2HG PRO 39 2HG PRO 39 0.227 1.841 -7.479 260 2HD PRO 39 2HD PRO 39 -0.637 3.028 -5.701 261 H ALA 40 H ALA 40 -4.328 -1.079 -5.576 262 HA ALA 40 HA ALA 40 -3.170 -3.078 -4.037 263 1HB ALA 40 1HB ALA 40 -5.187 -4.180 -5.771 264 2HB ALA 40 2HB ALA 40 -5.244 -3.873 -4.035 265 3HB ALA 40 3HB ALA 40 -5.675 -2.595 -5.170 266 H ALA 41 H ALA 41 -2.743 -2.399 -7.354 267 HA ALA 41 HA ALA 41 -2.124 -5.018 -8.274 268 1HB ALA 41 1HB ALA 41 -0.739 -3.009 -9.774 269 2HB ALA 41 2HB ALA 41 -2.121 -3.998 -10.245 270 3HB ALA 41 3HB ALA 41 -2.377 -2.464 -9.413 271 H TYR 42 H TYR 42 -0.386 -2.643 -6.481 272 HA TYR 42 HA TYR 42 2.199 -3.864 -7.057 273 2HB TYR 42 2HB TYR 42 3.015 -2.052 -5.451 274 HD1 TYR 42 HD1 TYR 42 0.545 -1.628 -8.225 275 HD2 TYR 42 HD2 TYR 42 4.366 -0.613 -6.652 276 HE1 TYR 42 HE1 TYR 42 1.046 -0.365 -10.275 277 HE2 TYR 42 HE2 TYR 42 4.878 0.654 -8.697 278 HH TYR 42 HH TYR 42 2.471 1.323 -11.096 279 H VAL 43 H VAL 43 -0.339 -4.294 -4.919 280 HA VAL 43 HA VAL 43 1.416 -5.740 -3.048 281 HB VAL 43 HB VAL 43 -0.227 -5.190 -1.234 282 1HG1 VAL 43 1HG1 VAL 43 0.627 -2.520 -1.798 283 2HG1 VAL 43 2HG1 VAL 43 1.282 -3.675 -0.634 284 3HG1 VAL 43 3HG1 VAL 43 1.884 -3.654 -2.292 285 1HG2 VAL 43 1HG2 VAL 43 -1.155 -2.838 -2.778 286 2HG2 VAL 43 2HG2 VAL 43 -1.894 -4.395 -3.154 287 3HG2 VAL 43 3HG2 VAL 43 -1.970 -3.756 -1.512 288 H LYS 44 H LYS 44 0.079 -7.323 -1.687 289 HA LYS 44 HA LYS 44 -2.343 -8.336 -2.827 290 2HB LYS 44 2HB LYS 44 0.276 -9.650 -3.438 291 2HG LYS 44 2HG LYS 44 -1.551 -11.541 -4.175 292 2HD LYS 44 2HD LYS 44 -0.545 -12.934 -2.460 293 2HE LYS 44 2HE LYS 44 1.880 -11.487 -2.876 294 1HZ LYS 44 1HZ LYS 44 1.808 -13.846 -2.940 295 2HZ LYS 44 2HZ LYS 44 2.246 -13.324 -4.488 296 3HZ LYS 44 3HZ LYS 44 0.667 -13.854 -4.190 297 H LYS 45 H LYS 45 -3.463 -9.430 -1.325 298 HA LYS 45 HA LYS 45 -2.652 -9.520 1.336 299 2HB LYS 45 2HB LYS 45 -4.564 -11.546 1.056 300 2HG LYS 45 2HG LYS 45 -5.265 -8.642 1.330 301 2HD LYS 45 2HD LYS 45 -6.637 -10.051 3.212 302 2HE LYS 45 2HE LYS 45 -7.699 -9.849 0.418 303 1HZ LYS 45 1HZ LYS 45 -9.239 -10.611 2.056 304 2HZ LYS 45 2HZ LYS 45 -9.652 -9.020 1.657 305 3HZ LYS 45 3HZ LYS 45 -8.846 -9.345 3.109 306 H LEU 46 H LEU 46 -1.958 -11.178 2.695 307 HA LEU 46 HA LEU 46 -0.740 -13.475 1.309 308 2HB LEU 46 2HB LEU 46 0.924 -13.522 3.083 309 HG LEU 46 HG LEU 46 0.651 -10.815 1.799 310 1HD1 LEU 46 1HD1 LEU 46 2.277 -9.972 3.048 311 2HD1 LEU 46 2HD1 LEU 46 3.292 -11.388 2.774 312 3HD1 LEU 46 3HD1 LEU 46 2.132 -11.379 4.102 313 1HD2 LEU 46 1HD2 LEU 46 2.414 -11.581 0.371 314 2HD2 LEU 46 2HD2 LEU 46 1.141 -12.801 0.380 315 3HD2 LEU 46 3HD2 LEU 46 2.611 -13.053 1.321 316 H ASP 47 H ASP 47 -0.182 -15.198 3.211 317 HA ASP 47 HA ASP 47 -2.789 -15.799 4.438 318 2HB ASP 47 2HB ASP 47 -1.354 -18.153 4.503 319 H SER 48 H SER 48 -2.673 -14.994 6.464 320 HA SER 48 HA SER 48 -0.265 -15.279 8.047 321 2HB SER 48 2HB SER 48 -1.573 -13.212 8.217 322 HG SER 48 HG SER 48 -3.655 -14.023 7.896 323 H GLY 49 H GLY 49 -3.664 -16.014 8.843 324 1HA GLY 49 2HA GLY 49 -3.987 -18.546 9.198 325 2HA GLY 49 1HA GLY 49 -2.695 -18.338 10.371 326 H THR 50 H THR 50 -3.115 -16.647 12.072 327 HA THR 50 HA THR 50 -5.412 -17.292 13.519 328 HB THR 50 HB THR 50 -3.409 -16.374 14.588 329 HG1 THR 50 HG1 THR 50 -5.215 -16.107 15.828 330 1HG2 THR 50 1HG2 THR 50 -3.066 -14.660 12.696 331 2HG2 THR 50 2HG2 THR 50 -2.675 -14.166 14.343 332 3HG2 THR 50 3HG2 THR 50 -4.188 -13.647 13.603 333 H GLY 51 H GLY 51 -4.698 -14.383 11.593 334 1HA GLY 51 2HA GLY 51 -6.915 -13.865 10.286 335 2HA GLY 51 1HA GLY 51 -7.476 -13.508 11.913 336 H LYS 52 H LYS 52 -4.283 -12.854 10.544 337 HA LYS 52 HA LYS 52 -4.522 -10.078 11.354 338 2HB LYS 52 2HB LYS 52 -2.143 -9.934 10.651 339 2HG LYS 52 2HG LYS 52 -1.370 -11.992 12.156 340 2HD LYS 52 2HD LYS 52 -1.551 -9.373 12.550 341 2HE LYS 52 2HE LYS 52 -3.842 -10.567 14.028 342 1HZ LYS 52 1HZ LYS 52 -2.043 -8.475 15.092 343 2HZ LYS 52 2HZ LYS 52 -2.646 -9.844 15.880 344 3HZ LYS 52 3HZ LYS 52 -3.676 -8.549 15.530 345 H GLU 53 H GLU 53 -4.209 -8.295 9.955 346 HA GLU 53 HA GLU 53 -4.985 -8.857 7.173 347 2HB GLU 53 2HB GLU 53 -6.100 -6.795 7.103 348 2HG GLU 53 2HG GLU 53 -6.715 -8.506 9.228 349 H LEU 54 H LEU 54 -2.860 -9.225 6.435 350 HA LEU 54 HA LEU 54 -1.215 -6.786 6.265 351 2HB LEU 54 2HB LEU 54 0.290 -7.979 7.412 352 HG LEU 54 HG LEU 54 -1.344 -9.863 7.879 353 1HD1 LEU 54 1HD1 LEU 54 -0.423 -11.948 6.469 354 2HD1 LEU 54 2HD1 LEU 54 -0.289 -10.683 5.248 355 3HD1 LEU 54 3HD1 LEU 54 -1.846 -11.016 6.005 356 1HD2 LEU 54 1HD2 LEU 54 0.563 -11.497 8.326 357 2HD2 LEU 54 2HD2 LEU 54 0.684 -9.895 9.055 358 3HD2 LEU 54 3HD2 LEU 54 1.618 -10.279 7.609 359 H VAL 55 H VAL 55 0.186 -6.691 4.341 360 HA VAL 55 HA VAL 55 -0.614 -8.341 2.083 361 HB VAL 55 HB VAL 55 -0.797 -6.038 0.770 362 1HG1 VAL 55 1HG1 VAL 55 -2.593 -7.393 0.442 363 2HG1 VAL 55 2HG1 VAL 55 -2.813 -7.706 2.164 364 3HG1 VAL 55 3HG1 VAL 55 -3.361 -6.181 1.468 365 1HG2 VAL 55 1HG2 VAL 55 -0.410 -4.770 2.919 366 2HG2 VAL 55 2HG2 VAL 55 -1.832 -4.290 1.991 367 3HG2 VAL 55 3HG2 VAL 55 -2.013 -5.303 3.424 368 H LEU 56 H LEU 56 1.218 -8.939 1.149 369 HA LEU 56 HA LEU 56 3.686 -7.583 1.598 370 2HB LEU 56 2HB LEU 56 3.002 -9.776 -0.356 371 HG LEU 56 HG LEU 56 5.558 -8.490 0.202 372 1HD1 LEU 56 1HD1 LEU 56 5.130 -11.210 1.137 373 2HD1 LEU 56 2HD1 LEU 56 6.480 -10.112 1.420 374 3HD1 LEU 56 3HD1 LEU 56 6.428 -11.084 -0.051 375 1HD2 LEU 56 1HD2 LEU 56 4.153 -9.470 -1.970 376 2HD2 LEU 56 2HD2 LEU 56 5.483 -10.613 -1.774 377 3HD2 LEU 56 3HD2 LEU 56 5.819 -8.892 -1.974 378 H ALA 57 H ALA 57 5.044 -6.589 0.041 379 HA ALA 57 HA ALA 57 3.546 -5.137 -2.001 380 1HB ALA 57 1HB ALA 57 4.921 -3.841 -0.461 381 2HB ALA 57 2HB ALA 57 6.356 -4.722 -0.984 382 3HB ALA 57 3HB ALA 57 5.502 -3.675 -2.118 383 H LEU 58 H LEU 58 3.411 -6.126 -3.911 384 HA LEU 58 HA LEU 58 5.369 -7.994 -4.840 385 2HB LEU 58 2HB LEU 58 3.917 -8.468 -6.537 386 HG LEU 58 HG LEU 58 1.960 -6.991 -4.780 387 1HD1 LEU 58 1HD1 LEU 58 0.983 -7.622 -6.879 388 2HD1 LEU 58 2HD1 LEU 58 0.395 -8.719 -5.630 389 3HD1 LEU 58 3HD1 LEU 58 1.649 -9.250 -6.750 390 1HD2 LEU 58 1HD2 LEU 58 3.646 -8.895 -3.882 391 2HD2 LEU 58 2HD2 LEU 58 2.329 -9.899 -4.489 392 3HD2 LEU 58 3HD2 LEU 58 2.008 -8.664 -3.271 393 H TYR 59 H TYR 59 4.631 -4.618 -5.457 394 HA TYR 59 HA TYR 59 7.078 -4.453 -7.088 395 2HB TYR 59 2HB TYR 59 6.071 -2.923 -8.586 396 HD1 TYR 59 HD1 TYR 59 6.210 -5.896 -8.588 397 HD2 TYR 59 HD2 TYR 59 2.871 -3.277 -8.876 398 HE1 TYR 59 HE1 TYR 59 4.967 -7.628 -9.814 399 HE2 TYR 59 HE2 TYR 59 1.617 -5.001 -10.103 400 HH TYR 59 HH TYR 59 2.223 -8.063 -10.106 401 H ASP 60 H ASP 60 7.613 -1.942 -7.326 402 HA ASP 60 HA ASP 60 7.808 -0.951 -4.572 403 2HB ASP 60 2HB ASP 60 9.962 -1.166 -5.515 404 H TYR 61 H TYR 61 6.560 0.676 -3.958 405 HA TYR 61 HA TYR 61 5.576 2.549 -6.010 406 2HB TYR 61 2HB TYR 61 4.130 1.652 -3.508 407 HD1 TYR 61 HD1 TYR 61 2.461 2.365 -6.642 408 HD2 TYR 61 HD2 TYR 61 3.661 4.024 -2.911 409 HE1 TYR 61 HE1 TYR 61 0.886 4.224 -6.969 410 HE2 TYR 61 HE2 TYR 61 2.088 5.888 -3.229 411 HH TYR 61 HH TYR 61 -0.021 6.320 -4.507 412 H GLN 62 H GLN 62 4.848 4.675 -5.013 413 HA GLN 62 HA GLN 62 6.330 5.448 -2.631 414 2HB GLN 62 2HB GLN 62 6.941 6.412 -5.396 415 2HG GLN 62 2HG GLN 62 6.282 8.427 -4.082 416 1HE2 GLN 62 1HE2 GLN 62 5.858 8.070 -1.876 417 2HE2 GLN 62 2HE2 GLN 62 7.076 8.322 -0.676 418 H GLU 63 H GLU 63 4.949 6.536 -1.410 419 HA GLU 63 HA GLU 63 2.960 8.261 -2.734 420 2HB GLU 63 2HB GLU 63 2.338 7.298 -0.016 421 2HG GLU 63 2HG GLU 63 0.191 7.460 -0.655 422 H SER 64 H SER 64 3.007 10.346 -2.209 423 HA SER 64 HA SER 64 4.597 11.146 0.137 424 2HB SER 64 2HB SER 64 3.963 13.105 -2.020 425 HG SER 64 HG SER 64 5.436 14.077 -0.899 426 H GLY 65 H GLY 65 2.821 10.970 1.574 427 1HA GLY 65 2HA GLY 65 1.388 12.319 2.888 428 2HA GLY 65 1HA GLY 65 1.068 13.313 1.475 429 H ASP 66 H ASP 66 0.107 10.564 3.312 430 HA ASP 66 HA ASP 66 -1.445 9.014 1.777 431 2HB ASP 66 2HB ASP 66 -2.058 10.205 4.472 432 H ASN 67 H ASN 67 -2.527 9.666 0.017 433 HA ASN 67 HA ASN 67 -4.576 11.754 0.376 434 2HB ASN 67 2HB ASN 67 -3.422 11.242 -2.328 435 1HD2 ASN 67 1HD2 ASN 67 -4.299 13.619 0.148 436 2HD2 ASN 67 2HD2 ASN 67 -5.089 14.711 -0.935 437 H ALA 68 H ALA 68 -6.488 11.530 -0.936 438 HA ALA 68 HA ALA 68 -7.406 8.825 -1.060 439 1HB ALA 68 1HB ALA 68 -8.630 11.485 -1.689 440 2HB ALA 68 2HB ALA 68 -9.457 9.987 -2.115 441 3HB ALA 68 3HB ALA 68 -9.060 10.326 -0.430 442 HA PRO 69 HA PRO 69 -6.279 7.863 -5.213 443 2HB PRO 69 2HB PRO 69 -6.593 5.666 -4.622 444 2HG PRO 69 2HG PRO 69 -8.246 5.056 -3.104 445 2HD PRO 69 2HD PRO 69 -7.225 6.750 -1.921 446 H SER 70 H SER 70 -7.168 9.985 -5.918 447 HA SER 70 HA SER 70 -9.875 9.944 -6.977 448 2HB SER 70 2HB SER 70 -8.877 12.312 -7.827 449 HG SER 70 HG SER 70 -9.727 13.147 -5.853 450 H TYR 71 H TYR 71 -6.963 8.838 -8.008 451 HA TYR 71 HA TYR 71 -7.755 9.102 -10.826 452 2HB TYR 71 2HB TYR 71 -5.957 10.626 -10.681 453 HD1 TYR 71 HD1 TYR 71 -4.481 11.713 -9.290 454 HD2 TYR 71 HD2 TYR 71 -4.628 7.462 -9.185 455 HE1 TYR 71 HE1 TYR 71 -2.803 11.705 -7.491 456 HE2 TYR 71 HE2 TYR 71 -2.953 7.442 -7.384 457 HH TYR 71 HH TYR 71 -1.024 9.175 -6.648 458 H SER 72 H SER 72 -6.444 7.485 -12.201 459 HA SER 72 HA SER 72 -6.954 4.880 -11.145 460 2HB SER 72 2HB SER 72 -6.925 5.885 -13.656 461 HG SER 72 HG SER 72 -4.922 4.265 -14.239 462 HA PRO 73 HA PRO 73 -3.043 3.800 -9.472 463 2HB PRO 73 2HB PRO 73 -4.011 1.826 -8.803 464 2HG PRO 73 2HG PRO 73 -5.580 0.746 -10.137 465 2HD PRO 73 2HD PRO 73 -6.461 2.876 -10.135 466 HA PRO 74 HA PRO 74 -0.056 4.024 -12.717 467 2HB PRO 74 2HB PRO 74 1.365 4.903 -11.140 468 2HG PRO 74 2HG PRO 74 1.290 4.191 -8.928 469 2HD PRO 74 2HD PRO 74 -0.946 4.628 -9.279 470 HA PRO 75 HA PRO 75 0.436 -0.055 -14.318 471 2HB PRO 75 2HB PRO 75 0.843 0.946 -16.346 472 2HG PRO 75 2HG PRO 75 1.992 2.963 -16.479 473 2HD PRO 75 2HD PRO 75 0.428 3.504 -14.875 474 HA PRO 76 HA PRO 76 3.614 -1.704 -11.651 475 2HB PRO 76 2HB PRO 76 2.102 -3.352 -11.124 476 2HG PRO 76 2HG PRO 76 0.505 -4.052 -12.664 477 2HD PRO 76 2HD PRO 76 0.193 -1.770 -12.777 478 HA PRO 77 HA PRO 77 7.056 -2.699 -14.198 479 2HB PRO 77 2HB PRO 77 8.283 -3.030 -12.285 480 2HG PRO 77 2HG PRO 77 7.349 -4.071 -10.427 481 2HD PRO 77 2HD PRO 77 5.721 -2.498 -10.860 Start of MODEL 10 1 1H GLY 1 1H GLY 1 10.831 20.881 -2.235 2 1HA GLY 1 2HA GLY 1 9.394 23.116 -2.646 3 2HA GLY 1 1HA GLY 1 8.391 21.900 -3.423 4 H ALA 2 H ALA 2 6.849 21.074 -2.194 5 HA ALA 2 HA ALA 2 7.359 20.652 0.659 6 1HB ALA 2 1HB ALA 2 4.893 22.046 -0.374 7 2HB ALA 2 2HB ALA 2 5.254 21.654 1.308 8 3HB ALA 2 3HB ALA 2 6.240 22.835 0.447 9 H MET 3 H MET 3 7.479 18.428 0.062 10 HA MET 3 HA MET 3 5.181 17.149 -1.125 11 2HB MET 3 2HB MET 3 7.581 16.417 -1.463 12 2HG MET 3 2HG MET 3 7.194 15.263 1.288 13 1HE MET 3 1HE MET 3 11.257 15.022 0.028 14 2HE MET 3 2HE MET 3 10.549 15.034 -1.587 15 3HE MET 3 3HE MET 3 10.154 16.316 -0.442 16 H GLY 4 H GLY 4 3.807 15.650 -0.115 17 1HA GLY 4 2HA GLY 4 2.607 16.228 2.204 18 2HA GLY 4 1HA GLY 4 2.772 14.563 1.663 19 HA PRO 5 HA PRO 5 5.299 15.626 5.619 20 2HB PRO 5 2HB PRO 5 3.710 16.705 6.881 21 2HG PRO 5 2HG PRO 5 1.442 16.415 6.458 22 2HD PRO 5 2HD PRO 5 2.185 16.895 4.330 23 H ARG 6 H ARG 6 2.937 13.158 4.808 24 HA ARG 6 HA ARG 6 4.727 11.137 5.988 25 2HB ARG 6 2HB ARG 6 2.685 11.301 7.314 26 2HG ARG 6 2HG ARG 6 1.017 10.277 5.078 27 2HD ARG 6 2HD ARG 6 0.519 10.612 7.682 28 HE ARG 6 HE ARG 6 0.660 13.229 7.021 29 1HH1 ARG 6 2HH1 ARG 6 -1.966 11.136 7.943 30 2HH1 ARG 6 1HH1 ARG 6 -2.885 12.401 8.690 31 1HH2 ARG 6 2HH2 ARG 6 -0.541 14.903 8.002 32 2HH2 ARG 6 1HH2 ARG 6 -2.073 14.543 8.722 33 H GLU 7 H GLU 7 5.783 10.441 4.203 34 HA GLU 7 HA GLU 7 4.190 9.696 1.850 35 2HB GLU 7 2HB GLU 7 5.946 11.184 1.249 36 2HG GLU 7 2HG GLU 7 7.455 9.815 3.286 37 H VAL 8 H VAL 8 3.613 7.635 1.771 38 HA VAL 8 HA VAL 8 5.255 5.614 3.104 39 HB VAL 8 HB VAL 8 2.910 5.532 3.660 40 1HG1 VAL 8 1HG1 VAL 8 2.481 5.373 0.684 41 2HG1 VAL 8 2HG1 VAL 8 1.237 4.970 1.868 42 3HG1 VAL 8 3HG1 VAL 8 1.894 6.607 1.799 43 1HG2 VAL 8 1HG2 VAL 8 4.353 3.404 3.065 44 2HG2 VAL 8 2HG2 VAL 8 2.648 3.265 3.494 45 3HG2 VAL 8 3HG2 VAL 8 3.138 3.221 1.800 46 H THR 9 H THR 9 6.450 4.167 2.036 47 HA THR 9 HA THR 9 6.051 3.897 -0.871 48 HB THR 9 HB THR 9 8.468 3.687 -1.176 49 HG1 THR 9 HG1 THR 9 9.855 3.801 0.505 50 1HG2 THR 9 1HG2 THR 9 8.643 6.181 0.243 51 2HG2 THR 9 2HG2 THR 9 7.075 6.047 -0.554 52 3HG2 THR 9 3HG2 THR 9 8.558 5.891 -1.495 53 H MET 10 H MET 10 5.547 1.886 -1.415 54 HA MET 10 HA MET 10 5.943 -0.292 0.431 55 2HB MET 10 2HB MET 10 4.749 -1.637 -1.247 56 2HG MET 10 2HG MET 10 3.568 1.020 -0.543 57 1HE MET 10 1HE MET 10 1.901 -1.955 -3.536 58 2HE MET 10 2HE MET 10 3.390 -1.030 -3.719 59 3HE MET 10 3HE MET 10 3.248 -2.227 -2.430 60 H LYS 11 H LYS 11 7.635 -1.610 0.484 61 HA LYS 11 HA LYS 11 9.557 -1.524 -1.722 62 2HB LYS 11 2HB LYS 11 10.379 -3.120 0.550 63 2HG LYS 11 2HG LYS 11 11.388 -0.630 -0.779 64 2HD LYS 11 2HD LYS 11 12.349 -1.947 1.748 65 2HE LYS 11 2HE LYS 11 14.321 -0.281 1.361 66 1HZ LYS 11 1HZ LYS 11 15.535 -2.080 0.124 67 2HZ LYS 11 2HZ LYS 11 14.078 -2.938 0.076 68 3HZ LYS 11 3HZ LYS 11 14.790 -2.564 1.564 69 H LYS 12 H LYS 12 9.905 -3.200 -3.044 70 HA LYS 12 HA LYS 12 8.147 -5.314 -3.303 71 2HB LYS 12 2HB LYS 12 11.028 -5.568 -4.129 72 2HG LYS 12 2HG LYS 12 8.442 -6.640 -5.062 73 2HD LYS 12 2HD LYS 12 10.210 -5.198 -6.832 74 2HE LYS 12 2HE LYS 12 9.807 -8.140 -7.354 75 1HZ LYS 12 1HZ LYS 12 9.426 -7.141 -9.407 76 2HZ LYS 12 2HZ LYS 12 11.074 -7.520 -9.453 77 3HZ LYS 12 3HZ LYS 12 10.581 -5.929 -9.156 78 H GLY 13 H GLY 13 7.714 -6.851 -1.862 79 1HA GLY 13 2HA GLY 13 8.223 -8.870 -0.762 80 2HA GLY 13 1HA GLY 13 9.925 -8.433 -0.795 81 H ASP 14 H ASP 14 7.320 -6.359 0.340 82 HA ASP 14 HA ASP 14 8.347 -6.668 3.083 83 2HB ASP 14 2HB ASP 14 7.192 -4.045 2.394 84 H ILE 15 H ILE 15 6.862 -6.741 4.717 85 HA ILE 15 HA ILE 15 4.099 -7.156 3.902 86 HB ILE 15 HB ILE 15 5.323 -7.513 6.638 87 2HG1 ILE 15 2HG1 ILE 15 6.275 -8.926 4.711 88 1HG2 ILE 15 1HG2 ILE 15 2.886 -8.929 5.674 89 2HG2 ILE 15 2HG2 ILE 15 3.361 -8.490 7.314 90 3HG2 ILE 15 3HG2 ILE 15 2.750 -7.256 6.213 91 1HD1 ILE 15 1HD1 ILE 15 6.665 -9.676 6.939 92 2HD1 ILE 15 2HD1 ILE 15 5.013 -10.279 7.080 93 3HD1 ILE 15 3HD1 ILE 15 6.145 -11.058 5.974 94 H LEU 16 H LEU 16 2.765 -5.478 3.872 95 HA LEU 16 HA LEU 16 3.103 -3.374 5.907 96 2HB LEU 16 2HB LEU 16 2.552 -1.763 4.392 97 HG LEU 16 HG LEU 16 4.368 -3.530 3.299 98 1HD1 LEU 16 1HD1 LEU 16 3.578 -3.070 0.784 99 2HD1 LEU 16 2HD1 LEU 16 2.002 -3.283 1.547 100 3HD1 LEU 16 3HD1 LEU 16 3.213 -4.562 1.653 101 1HD2 LEU 16 1HD2 LEU 16 4.352 -1.395 1.568 102 2HD2 LEU 16 2HD2 LEU 16 5.187 -1.460 3.121 103 3HD2 LEU 16 3HD2 LEU 16 3.580 -0.740 3.012 104 H THR 17 H THR 17 1.447 -2.933 7.234 105 HA THR 17 HA THR 17 -0.643 -4.660 7.674 106 HB THR 17 HB THR 17 -0.591 -1.696 8.272 107 HG1 THR 17 HG1 THR 17 -0.081 -2.756 10.440 108 1HG2 THR 17 1HG2 THR 17 -2.459 -1.920 9.556 109 2HG2 THR 17 2HG2 THR 17 -2.124 -3.607 9.943 110 3HG2 THR 17 3HG2 THR 17 -2.812 -3.182 8.376 111 H LEU 18 H LEU 18 -2.518 -5.089 6.707 112 HA LEU 18 HA LEU 18 -3.261 -3.810 4.288 113 2HB LEU 18 2HB LEU 18 -5.226 -5.434 5.818 114 HG LEU 18 HG LEU 18 -4.464 -6.350 3.151 115 1HD1 LEU 18 1HD1 LEU 18 -6.449 -6.977 4.677 116 2HD1 LEU 18 2HD1 LEU 18 -6.734 -6.772 2.949 117 3HD1 LEU 18 3HD1 LEU 18 -7.177 -5.487 4.074 118 1HD2 LEU 18 1HD2 LEU 18 -4.180 -4.130 2.505 119 2HD2 LEU 18 2HD2 LEU 18 -5.458 -3.554 3.575 120 3HD2 LEU 18 3HD2 LEU 18 -5.868 -4.462 2.119 121 H LEU 19 H LEU 19 -3.266 -1.598 5.301 122 HA LEU 19 HA LEU 19 -5.210 -0.738 7.105 123 2HB LEU 19 2HB LEU 19 -4.910 1.450 5.567 124 HG LEU 19 HG LEU 19 -4.147 1.511 7.838 125 1HD1 LEU 19 1HD1 LEU 19 -3.195 -0.567 8.264 126 2HD1 LEU 19 2HD1 LEU 19 -1.816 0.531 8.303 127 3HD1 LEU 19 3HD1 LEU 19 -2.109 -0.463 6.877 128 1HD2 LEU 19 1HD2 LEU 19 -2.318 2.944 7.604 129 2HD2 LEU 19 2HD2 LEU 19 -3.147 3.051 6.050 130 3HD2 LEU 19 3HD2 LEU 19 -1.691 2.067 6.208 131 H ASN 20 H ASN 20 -6.809 1.132 6.193 132 HA ASN 20 HA ASN 20 -9.064 -0.066 5.275 133 2HB ASN 20 2HB ASN 20 -9.012 2.532 4.088 134 1HD2 ASN 20 1HD2 ASN 20 -11.189 2.079 4.024 135 2HD2 ASN 20 2HD2 ASN 20 -12.190 2.101 5.432 136 H SER 21 H SER 21 -9.207 -1.387 3.573 137 HA SER 21 HA SER 21 -7.880 -0.659 1.068 138 2HB SER 21 2HB SER 21 -8.329 -3.120 2.407 139 HG SER 21 HG SER 21 -9.388 -4.308 0.851 140 H THR 22 H THR 22 -10.619 0.209 2.378 141 HA THR 22 HA THR 22 -12.839 -0.467 1.078 142 HB THR 22 HB THR 22 -12.880 1.412 2.576 143 HG1 THR 22 HG1 THR 22 -14.340 1.285 0.582 144 1HG2 THR 22 1HG2 THR 22 -11.792 3.439 2.260 145 2HG2 THR 22 2HG2 THR 22 -11.633 3.197 0.520 146 3HG2 THR 22 3HG2 THR 22 -10.618 2.281 1.633 147 H ASN 23 H ASN 23 -10.266 1.497 -0.367 148 HA ASN 23 HA ASN 23 -11.601 1.838 -2.864 149 2HB ASN 23 2HB ASN 23 -8.867 2.152 -3.337 150 1HD2 ASN 23 1HD2 ASN 23 -9.714 3.382 -4.960 151 2HD2 ASN 23 2HD2 ASN 23 -10.427 4.934 -4.701 152 H LYS 24 H LYS 24 -11.909 0.337 -4.355 153 HA LYS 24 HA LYS 24 -10.681 -2.220 -4.255 154 2HB LYS 24 2HB LYS 24 -11.775 -1.805 -6.836 155 2HG LYS 24 2HG LYS 24 -13.719 -2.855 -5.005 156 2HD LYS 24 2HD LYS 24 -11.962 -4.057 -7.140 157 2HE LYS 24 2HE LYS 24 -13.406 -5.414 -5.154 158 1HZ LYS 24 1HZ LYS 24 -14.724 -5.815 -7.774 159 2HZ LYS 24 2HZ LYS 24 -15.387 -4.826 -6.573 160 3HZ LYS 24 3HZ LYS 24 -15.155 -6.475 -6.277 161 H ASP 25 H ASP 25 -10.113 0.685 -6.155 162 HA ASP 25 HA ASP 25 -8.050 -0.627 -7.732 163 2HB ASP 25 2HB ASP 25 -7.923 1.423 -8.985 164 H TRP 26 H TRP 26 -8.189 0.599 -4.710 165 HA TRP 26 HA TRP 26 -5.318 0.952 -4.595 166 2HB TRP 26 2HB TRP 26 -5.553 3.135 -3.347 167 HD1 TRP 26 HD1 TRP 26 -7.595 3.357 -6.619 168 HE1 TRP 26 HE1 TRP 26 -6.145 4.533 -8.391 169 HE3 TRP 26 HE3 TRP 26 -3.243 3.755 -3.967 170 HZ2 TRP 26 HZ2 TRP 26 -3.503 5.499 -8.632 171 HZ3 TRP 26 HZ3 TRP 26 -1.300 4.817 -5.042 172 HH2 TRP 26 HH2 TRP 26 -1.430 5.670 -7.326 173 H TRP 27 H TRP 27 -4.648 -0.160 -2.893 174 HA TRP 27 HA TRP 27 -6.505 -0.552 -0.646 175 2HB TRP 27 2HB TRP 27 -4.555 -2.388 -0.212 176 HD1 TRP 27 HD1 TRP 27 -7.912 -1.653 -1.651 177 HE1 TRP 27 HE1 TRP 27 -9.361 -3.779 -1.646 178 HE3 TRP 27 HE3 TRP 27 -4.291 -5.100 -0.580 179 HZ2 TRP 27 HZ2 TRP 27 -9.016 -6.551 -1.241 180 HZ3 TRP 27 HZ3 TRP 27 -4.935 -7.468 -0.400 181 HH2 TRP 27 HH2 TRP 27 -7.248 -8.177 -0.724 182 H LYS 28 H LYS 28 -6.124 0.880 0.919 183 HA LYS 28 HA LYS 28 -3.726 2.253 1.354 184 2HB LYS 28 2HB LYS 28 -5.644 1.706 3.593 185 2HG LYS 28 2HG LYS 28 -4.599 4.370 2.716 186 2HD LYS 28 2HD LYS 28 -5.093 3.459 5.519 187 2HE LYS 28 2HE LYS 28 -5.058 6.040 4.009 188 1HZ LYS 28 1HZ LYS 28 -6.010 6.058 6.768 189 2HZ LYS 28 2HZ LYS 28 -7.130 5.631 5.574 190 3HZ LYS 28 3HZ LYS 28 -6.345 7.127 5.502 191 H VAL 29 H VAL 29 -1.925 1.831 2.497 192 HA VAL 29 HA VAL 29 -1.880 -0.409 4.368 193 HB VAL 29 HB VAL 29 0.054 -1.454 3.388 194 1HG1 VAL 29 1HG1 VAL 29 -0.977 -2.544 1.623 195 2HG1 VAL 29 2HG1 VAL 29 -2.349 -1.871 2.506 196 3HG1 VAL 29 3HG1 VAL 29 -1.765 -1.077 1.043 197 1HG2 VAL 29 1HG2 VAL 29 1.325 0.240 2.437 198 2HG2 VAL 29 2HG2 VAL 29 0.728 -0.635 1.027 199 3HG2 VAL 29 3HG2 VAL 29 -0.034 0.880 1.513 200 H GLU 30 H GLU 30 -0.451 -0.155 6.024 201 HA GLU 30 HA GLU 30 0.980 2.401 6.105 202 2HB GLU 30 2HB GLU 30 0.177 0.493 8.305 203 2HG GLU 30 2HG GLU 30 1.608 3.131 8.487 204 H VAL 31 H VAL 31 3.093 2.418 7.258 205 HA VAL 31 HA VAL 31 4.641 -0.019 6.656 206 HB VAL 31 HB VAL 31 6.424 2.152 6.676 207 1HG1 VAL 31 1HG1 VAL 31 5.290 0.364 4.553 208 2HG1 VAL 31 2HG1 VAL 31 6.496 1.595 4.172 209 3HG1 VAL 31 3HG1 VAL 31 6.876 0.307 5.317 210 1HG2 VAL 31 1HG2 VAL 31 4.749 3.775 6.349 211 2HG2 VAL 31 2HG2 VAL 31 5.430 3.481 4.748 212 3HG2 VAL 31 3HG2 VAL 31 3.881 2.764 5.195 213 H ASN 32 H ASN 32 4.457 2.877 8.699 214 HA ASN 32 HA ASN 32 4.980 1.522 11.087 215 2HB ASN 32 2HB ASN 32 7.266 1.421 9.847 216 1HD2 ASN 32 1HD2 ASN 32 7.536 3.071 8.278 217 2HD2 ASN 32 2HD2 ASN 32 8.308 4.560 8.691 218 H ASP 33 H ASP 33 5.061 4.474 9.237 219 HA ASP 33 HA ASP 33 3.854 5.893 11.474 220 2HB ASP 33 2HB ASP 33 5.808 7.621 10.219 221 H ARG 34 H ARG 34 4.788 5.806 8.089 222 HA ARG 34 HA ARG 34 2.729 7.812 7.477 223 2HB ARG 34 2HB ARG 34 3.885 8.355 5.538 224 2HG ARG 34 2HG ARG 34 5.861 7.561 7.631 225 2HD ARG 34 2HD ARG 34 6.655 9.045 5.150 226 HE ARG 34 HE ARG 34 8.032 8.703 7.427 227 1HH1 ARG 34 2HH1 ARG 34 8.439 7.378 4.233 228 2HH1 ARG 34 1HH1 ARG 34 10.160 7.233 4.371 229 1HH2 ARG 34 2HH2 ARG 34 10.297 8.517 7.621 230 2HH2 ARG 34 1HH2 ARG 34 11.215 7.879 6.299 231 H GLN 35 H GLN 35 0.845 7.114 6.738 232 HA GLN 35 HA GLN 35 0.769 4.605 5.202 233 2HB GLN 35 2HB GLN 35 -0.514 3.658 6.759 234 2HG GLN 35 2HG GLN 35 -0.220 6.295 8.121 235 1HE2 GLN 35 1HE2 GLN 35 -0.482 5.083 10.682 236 2HE2 GLN 35 2HE2 GLN 35 -2.170 4.874 10.986 237 H GLY 36 H GLY 36 -0.251 4.733 3.300 238 1HA GLY 36 2HA GLY 36 -2.261 6.826 2.887 239 2HA GLY 36 1HA GLY 36 -0.856 6.815 1.832 240 H PHE 37 H PHE 37 -2.741 6.630 0.265 241 HA PHE 37 HA PHE 37 -3.806 3.926 0.039 242 2HB PHE 37 2HB PHE 37 -5.048 4.941 -1.937 243 HD1 PHE 37 HD1 PHE 37 -5.103 7.598 0.568 244 HD2 PHE 37 HD2 PHE 37 -6.752 3.855 -0.611 245 HE1 PHE 37 HE1 PHE 37 -6.949 7.913 2.164 246 HE2 PHE 37 HE2 PHE 37 -8.601 4.164 0.982 247 HZ PHE 37 HZ PHE 37 -8.702 6.196 2.372 248 H VAL 38 H VAL 38 -2.915 2.426 -1.205 249 HA VAL 38 HA VAL 38 -1.144 3.285 -3.401 250 HB VAL 38 HB VAL 38 0.008 0.992 -2.924 251 1HG1 VAL 38 1HG1 VAL 38 1.178 2.398 -0.879 252 2HG1 VAL 38 2HG1 VAL 38 1.554 2.576 -2.594 253 3HG1 VAL 38 3HG1 VAL 38 0.400 3.667 -1.825 254 1HG2 VAL 38 1HG2 VAL 38 -1.457 0.119 -1.267 255 2HG2 VAL 38 2HG2 VAL 38 0.053 0.528 -0.452 256 3HG2 VAL 38 3HG2 VAL 38 -1.346 1.590 -0.301 257 HA PRO 39 HA PRO 39 -3.440 0.718 -6.121 258 2HB PRO 39 2HB PRO 39 -2.065 1.459 -7.807 259 2HG PRO 39 2HG PRO 39 0.204 1.804 -7.440 260 2HD PRO 39 2HD PRO 39 -0.668 2.970 -5.653 261 H ALA 40 H ALA 40 -4.332 -1.152 -5.531 262 HA ALA 40 HA ALA 40 -3.176 -3.156 -4.014 263 1HB ALA 40 1HB ALA 40 -5.566 -3.015 -5.778 264 2HB ALA 40 2HB ALA 40 -5.045 -4.596 -5.192 265 3HB ALA 40 3HB ALA 40 -5.456 -3.321 -4.045 266 H ALA 41 H ALA 41 -2.706 -2.453 -7.321 267 HA ALA 41 HA ALA 41 -2.054 -5.056 -8.256 268 1HB ALA 41 1HB ALA 41 -2.351 -2.535 -9.393 269 2HB ALA 41 2HB ALA 41 -0.658 -2.953 -9.661 270 3HB ALA 41 3HB ALA 41 -1.935 -4.033 -10.227 271 H TYR 42 H TYR 42 -0.305 -2.602 -6.524 272 HA TYR 42 HA TYR 42 2.265 -3.880 -7.004 273 2HB TYR 42 2HB TYR 42 3.085 -2.032 -5.453 274 HD1 TYR 42 HD1 TYR 42 0.591 -1.612 -8.207 275 HD2 TYR 42 HD2 TYR 42 4.459 -0.667 -6.708 276 HE1 TYR 42 HE1 TYR 42 1.092 -0.395 -10.285 277 HE2 TYR 42 HE2 TYR 42 4.971 0.552 -8.781 278 HH TYR 42 HH TYR 42 3.785 0.244 -11.437 279 H VAL 43 H VAL 43 -0.304 -4.231 -4.888 280 HA VAL 43 HA VAL 43 1.420 -5.606 -2.935 281 HB VAL 43 HB VAL 43 -0.310 -5.047 -1.199 282 1HG1 VAL 43 1HG1 VAL 43 1.889 -3.641 -2.039 283 2HG1 VAL 43 2HG1 VAL 43 0.637 -2.400 -1.980 284 3HG1 VAL 43 3HG1 VAL 43 0.999 -3.356 -0.543 285 1HG2 VAL 43 1HG2 VAL 43 -1.191 -2.883 -3.087 286 2HG2 VAL 43 2HG2 VAL 43 -2.033 -4.430 -2.980 287 3HG2 VAL 43 3HG2 VAL 43 -1.928 -3.383 -1.564 288 H LYS 44 H LYS 44 -0.018 -7.119 -1.525 289 HA LYS 44 HA LYS 44 -2.368 -8.224 -2.643 290 2HB LYS 44 2HB LYS 44 0.047 -9.994 -2.989 291 2HG LYS 44 2HG LYS 44 -2.645 -10.121 -4.328 292 2HD LYS 44 2HD LYS 44 -1.018 -11.225 -5.652 293 2HE LYS 44 2HE LYS 44 0.075 -12.093 -3.018 294 1HZ LYS 44 1HZ LYS 44 -0.319 -14.153 -4.268 295 2HZ LYS 44 2HZ LYS 44 1.329 -13.834 -4.066 296 3HZ LYS 44 3HZ LYS 44 0.588 -13.542 -5.560 297 H LYS 45 H LYS 45 -3.404 -9.374 -1.122 298 HA LYS 45 HA LYS 45 -2.501 -9.490 1.504 299 2HB LYS 45 2HB LYS 45 -4.353 -11.572 1.257 300 2HG LYS 45 2HG LYS 45 -5.277 -8.751 1.547 301 2HD LYS 45 2HD LYS 45 -6.342 -10.039 3.591 302 2HE LYS 45 2HE LYS 45 -7.157 -9.951 0.727 303 1HZ LYS 45 1HZ LYS 45 -8.158 -11.853 2.593 304 2HZ LYS 45 2HZ LYS 45 -8.523 -11.668 0.952 305 3HZ LYS 45 3HZ LYS 45 -9.375 -10.780 2.113 306 H LEU 46 H LEU 46 -1.838 -11.234 2.833 307 HA LEU 46 HA LEU 46 -0.527 -13.422 1.357 308 2HB LEU 46 2HB LEU 46 1.145 -13.478 3.135 309 HG LEU 46 HG LEU 46 0.797 -10.827 1.783 310 1HD1 LEU 46 1HD1 LEU 46 3.392 -11.003 2.888 311 2HD1 LEU 46 2HD1 LEU 46 2.239 -11.251 4.199 312 3HD1 LEU 46 3HD1 LEU 46 2.144 -9.797 3.206 313 1HD2 LEU 46 1HD2 LEU 46 2.202 -11.654 0.249 314 2HD2 LEU 46 2HD2 LEU 46 1.779 -13.225 0.932 315 3HD2 LEU 46 3HD2 LEU 46 3.245 -12.397 1.463 316 H ASP 47 H ASP 47 -0.133 -15.387 2.756 317 HA ASP 47 HA ASP 47 -2.638 -16.247 3.840 318 2HB ASP 47 2HB ASP 47 -0.689 -18.150 4.515 319 H SER 48 H SER 48 -3.204 -15.304 5.724 320 HA SER 48 HA SER 48 -1.270 -15.433 7.944 321 2HB SER 48 2HB SER 48 -3.660 -13.668 8.140 322 HG SER 48 HG SER 48 -0.966 -13.635 8.968 323 H GLY 49 H GLY 49 -1.886 -17.616 8.395 324 1HA GLY 49 2HA GLY 49 -4.405 -18.631 8.807 325 2HA GLY 49 1HA GLY 49 -2.992 -19.140 9.719 326 H THR 50 H THR 50 -2.430 -16.849 11.158 327 HA THR 50 HA THR 50 -3.984 -17.094 13.407 328 HB THR 50 HB THR 50 -1.845 -15.940 13.464 329 HG1 THR 50 HG1 THR 50 -2.469 -14.331 14.893 330 1HG2 THR 50 1HG2 THR 50 -1.631 -13.633 12.632 331 2HG2 THR 50 2HG2 THR 50 -3.252 -13.739 11.946 332 3HG2 THR 50 3HG2 THR 50 -1.964 -14.772 11.329 333 H GLY 51 H GLY 51 -4.463 -14.929 10.659 334 1HA GLY 51 2HA GLY 51 -6.739 -14.389 10.012 335 2HA GLY 51 1HA GLY 51 -7.155 -14.344 11.719 336 H LYS 52 H LYS 52 -4.289 -12.887 10.289 337 HA LYS 52 HA LYS 52 -5.214 -10.282 11.257 338 2HB LYS 52 2HB LYS 52 -2.816 -9.609 10.851 339 2HG LYS 52 2HG LYS 52 -1.851 -11.189 12.648 340 2HD LYS 52 2HD LYS 52 -3.891 -9.094 12.818 341 2HE LYS 52 2HE LYS 52 -4.678 -11.047 14.345 342 1HZ LYS 52 1HZ LYS 52 -3.647 -11.134 16.463 343 2HZ LYS 52 2HZ LYS 52 -2.581 -9.876 16.085 344 3HZ LYS 52 3HZ LYS 52 -2.425 -11.377 15.319 345 H GLU 53 H GLU 53 -4.428 -8.374 9.874 346 HA GLU 53 HA GLU 53 -5.135 -8.938 7.072 347 2HB GLU 53 2HB GLU 53 -6.143 -6.826 6.923 348 2HG GLU 53 2HG GLU 53 -7.399 -6.516 9.185 349 H LEU 54 H LEU 54 -3.060 -9.369 6.323 350 HA LEU 54 HA LEU 54 -1.244 -7.050 6.300 351 2HB LEU 54 2HB LEU 54 0.086 -8.442 7.473 352 HG LEU 54 HG LEU 54 -1.530 -10.289 7.746 353 1HD1 LEU 54 1HD1 LEU 54 -0.926 -12.188 5.942 354 2HD1 LEU 54 2HD1 LEU 54 -0.794 -10.750 4.931 355 3HD1 LEU 54 3HD1 LEU 54 -2.297 -11.091 5.785 356 1HD2 LEU 54 1HD2 LEU 54 0.414 -12.125 7.447 357 2HD2 LEU 54 2HD2 LEU 54 0.362 -10.965 8.775 358 3HD2 LEU 54 3HD2 LEU 54 1.373 -10.646 7.365 359 H VAL 55 H VAL 55 0.129 -6.878 4.401 360 HA VAL 55 HA VAL 55 -0.675 -8.402 2.055 361 HB VAL 55 HB VAL 55 -0.709 -5.949 0.920 362 1HG1 VAL 55 1HG1 VAL 55 -2.939 -7.614 2.044 363 2HG1 VAL 55 2HG1 VAL 55 -3.252 -6.161 1.092 364 3HG1 VAL 55 3HG1 VAL 55 -2.368 -7.511 0.379 365 1HG2 VAL 55 1HG2 VAL 55 -0.570 -4.679 2.927 366 2HG2 VAL 55 2HG2 VAL 55 -2.232 -4.552 2.350 367 3HG2 VAL 55 3HG2 VAL 55 -1.844 -5.629 3.692 368 H LEU 56 H LEU 56 1.074 -8.899 0.916 369 HA LEU 56 HA LEU 56 3.606 -7.665 1.521 370 2HB LEU 56 2HB LEU 56 2.982 -9.721 -0.590 371 HG LEU 56 HG LEU 56 5.278 -10.560 -0.120 372 1HD1 LEU 56 1HD1 LEU 56 4.447 -8.490 -1.774 373 2HD1 LEU 56 2HD1 LEU 56 5.933 -9.429 -1.916 374 3HD1 LEU 56 3HD1 LEU 56 5.936 -7.901 -1.034 375 1HD2 LEU 56 1HD2 LEU 56 6.745 -9.518 1.264 376 2HD2 LEU 56 2HD2 LEU 56 5.251 -9.081 2.093 377 3HD2 LEU 56 3HD2 LEU 56 6.030 -7.926 1.011 378 H ALA 57 H ALA 57 4.987 -6.634 0.018 379 HA ALA 57 HA ALA 57 3.533 -5.102 -1.997 380 1HB ALA 57 1HB ALA 57 6.064 -4.729 -0.490 381 2HB ALA 57 2HB ALA 57 5.925 -3.972 -2.077 382 3HB ALA 57 3HB ALA 57 4.758 -3.589 -0.812 383 H LEU 58 H LEU 58 3.345 -6.259 -3.840 384 HA LEU 58 HA LEU 58 5.303 -8.048 -4.826 385 2HB LEU 58 2HB LEU 58 3.932 -8.303 -6.712 386 HG LEU 58 HG LEU 58 2.037 -7.456 -4.522 387 1HD1 LEU 58 1HD1 LEU 58 0.316 -7.985 -5.829 388 2HD1 LEU 58 2HD1 LEU 58 1.104 -9.456 -6.401 389 3HD1 LEU 58 3HD1 LEU 58 1.445 -7.911 -7.183 390 1HD2 LEU 58 1HD2 LEU 58 3.613 -9.277 -3.935 391 2HD2 LEU 58 2HD2 LEU 58 3.005 -10.202 -5.307 392 3HD2 LEU 58 3HD2 LEU 58 1.928 -9.796 -3.971 393 H TYR 59 H TYR 59 4.562 -4.666 -5.512 394 HA TYR 59 HA TYR 59 7.098 -4.498 -7.001 395 2HB TYR 59 2HB TYR 59 6.165 -3.089 -8.621 396 HD1 TYR 59 HD1 TYR 59 2.909 -3.341 -8.859 397 HD2 TYR 59 HD2 TYR 59 6.201 -6.019 -8.553 398 HE1 TYR 59 HE1 TYR 59 1.598 -5.075 -10.012 399 HE2 TYR 59 HE2 TYR 59 4.900 -7.758 -9.706 400 HH TYR 59 HH TYR 59 2.370 -8.267 -10.008 401 H ASP 60 H ASP 60 7.852 -2.145 -7.154 402 HA ASP 60 HA ASP 60 7.814 -1.053 -4.453 403 2HB ASP 60 2HB ASP 60 10.004 -1.287 -5.351 404 H TYR 61 H TYR 61 6.526 0.565 -3.906 405 HA TYR 61 HA TYR 61 5.581 2.388 -6.020 406 2HB TYR 61 2HB TYR 61 4.118 1.522 -3.517 407 HD1 TYR 61 HD1 TYR 61 3.647 3.882 -2.894 408 HD2 TYR 61 HD2 TYR 61 2.474 2.276 -6.657 409 HE1 TYR 61 HE1 TYR 61 2.085 5.757 -3.200 410 HE2 TYR 61 HE2 TYR 61 0.910 4.149 -6.973 411 HH TYR 61 HH TYR 61 0.242 6.141 -6.196 412 H GLN 62 H GLN 62 4.805 4.532 -5.070 413 HA GLN 62 HA GLN 62 6.301 5.387 -2.722 414 2HB GLN 62 2HB GLN 62 6.825 6.324 -5.516 415 2HG GLN 62 2HG GLN 62 6.163 8.337 -4.195 416 1HE2 GLN 62 1HE2 GLN 62 5.821 7.969 -1.972 417 2HE2 GLN 62 2HE2 GLN 62 7.071 8.263 -0.815 418 H GLU 63 H GLU 63 4.931 6.479 -1.495 419 HA GLU 63 HA GLU 63 2.855 8.106 -2.810 420 2HB GLU 63 2HB GLU 63 2.344 7.229 -0.044 421 2HG GLU 63 2HG GLU 63 0.156 7.176 -0.654 422 H SER 64 H SER 64 2.680 10.193 -2.228 423 HA SER 64 HA SER 64 4.432 11.137 -0.057 424 2HB SER 64 2HB SER 64 3.605 13.237 -1.863 425 HG SER 64 HG SER 64 6.160 12.739 -2.113 426 H GLY 65 H GLY 65 3.088 11.234 1.673 427 1HA GLY 65 2HA GLY 65 1.539 12.229 3.062 428 2HA GLY 65 1HA GLY 65 1.179 13.360 1.766 429 H ASP 66 H ASP 66 -0.029 10.871 3.610 430 HA ASP 66 HA ASP 66 -1.545 9.211 2.159 431 2HB ASP 66 2HB ASP 66 -1.604 9.550 4.674 432 H ASN 67 H ASN 67 -2.418 9.667 0.228 433 HA ASN 67 HA ASN 67 -4.345 11.893 0.102 434 2HB ASN 67 2HB ASN 67 -3.765 12.079 -2.323 435 1HD2 ASN 67 1HD2 ASN 67 -3.589 13.652 -0.121 436 2HD2 ASN 67 2HD2 ASN 67 -2.069 14.474 -0.097 437 H ALA 68 H ALA 68 -6.267 11.538 -0.986 438 HA ALA 68 HA ALA 68 -7.176 8.831 -1.061 439 1HB ALA 68 1HB ALA 68 -8.363 11.495 -1.323 440 2HB ALA 68 2HB ALA 68 -9.154 10.247 -2.286 441 3HB ALA 68 3HB ALA 68 -8.990 10.043 -0.542 442 HA PRO 69 HA PRO 69 -6.175 7.821 -5.232 443 2HB PRO 69 2HB PRO 69 -6.492 5.631 -4.614 444 2HG PRO 69 2HG PRO 69 -8.109 5.049 -3.048 445 2HD PRO 69 2HD PRO 69 -7.045 6.746 -1.907 446 H SER 70 H SER 70 -7.067 9.943 -5.935 447 HA SER 70 HA SER 70 -9.798 9.900 -6.936 448 2HB SER 70 2HB SER 70 -9.379 12.258 -7.537 449 HG SER 70 HG SER 70 -8.756 12.926 -5.307 450 H TYR 71 H TYR 71 -6.907 8.798 -8.017 451 HA TYR 71 HA TYR 71 -7.745 9.068 -10.821 452 2HB TYR 71 2HB TYR 71 -5.945 10.588 -10.709 453 HD1 TYR 71 HD1 TYR 71 -4.435 11.680 -9.356 454 HD2 TYR 71 HD2 TYR 71 -4.609 7.431 -9.205 455 HE1 TYR 71 HE1 TYR 71 -2.734 11.679 -7.580 456 HE2 TYR 71 HE2 TYR 71 -2.910 7.419 -7.427 457 HH TYR 71 HH TYR 71 -1.567 8.639 -6.155 458 H SER 72 H SER 72 -6.458 7.452 -12.221 459 HA SER 72 HA SER 72 -6.966 4.846 -11.178 460 2HB SER 72 2HB SER 72 -7.353 5.212 -13.517 461 HG SER 72 HG SER 72 -6.080 6.582 -14.465 462 HA PRO 73 HA PRO 73 -3.064 3.749 -9.492 463 2HB PRO 73 2HB PRO 73 -4.047 1.784 -8.818 464 2HG PRO 73 2HG PRO 73 -5.622 0.712 -10.152 465 2HD PRO 73 2HD PRO 73 -6.488 2.848 -10.155 466 HA PRO 74 HA PRO 74 -0.069 3.936 -12.730 467 2HB PRO 74 2HB PRO 74 1.361 4.795 -11.149 468 2HG PRO 74 2HG PRO 74 1.275 4.079 -8.939 469 2HD PRO 74 2HD PRO 74 -0.954 4.544 -9.293 470 HA PRO 75 HA PRO 75 0.351 -0.152 -14.333 471 2HB PRO 75 2HB PRO 75 0.721 0.844 -16.370 472 2HG PRO 75 2HG PRO 75 1.876 2.856 -16.530 473 2HD PRO 75 2HD PRO 75 0.347 3.406 -14.897 474 HA PRO 76 HA PRO 76 3.578 -1.792 -11.714 475 2HB PRO 76 2HB PRO 76 2.061 -3.411 -11.117 476 2HG PRO 76 2HG PRO 76 0.411 -4.114 -12.599 477 2HD PRO 76 2HD PRO 76 0.126 -1.831 -12.741 478 HA PRO 77 HA PRO 77 6.933 -2.873 -14.344 479 2HB PRO 77 2HB PRO 77 8.209 -3.188 -12.460 480 2HG PRO 77 2HG PRO 77 7.318 -4.186 -10.559 481 2HD PRO 77 2HD PRO 77 5.697 -2.599 -10.971 Start of MODEL 11 1 1H GLY 1 1H GLY 1 9.229 15.411 -5.218 2 1HA GLY 1 2HA GLY 1 9.841 18.245 -5.796 3 2HA GLY 1 1HA GLY 1 8.265 17.525 -6.090 4 H ALA 2 H ALA 2 6.885 18.422 -4.705 5 HA ALA 2 HA ALA 2 7.652 19.366 -2.124 6 1HB ALA 2 1HB ALA 2 5.903 20.620 -2.804 7 2HB ALA 2 2HB ALA 2 5.181 19.305 -3.734 8 3HB ALA 2 3HB ALA 2 4.969 19.367 -1.984 9 H MET 3 H MET 3 8.476 17.622 -0.963 10 HA MET 3 HA MET 3 7.041 15.176 -0.637 11 2HB MET 3 2HB MET 3 9.512 15.386 -0.409 12 2HG MET 3 2HG MET 3 8.738 17.081 1.885 13 1HE MET 3 1HE MET 3 9.437 15.354 4.718 14 2HE MET 3 2HE MET 3 8.302 15.335 3.369 15 3HE MET 3 3HE MET 3 9.333 13.937 3.673 16 H GLY 4 H GLY 4 5.841 14.446 1.108 17 1HA GLY 4 2HA GLY 4 4.749 16.587 2.803 18 2HA GLY 4 1HA GLY 4 3.950 15.066 2.437 19 HA PRO 5 HA PRO 5 6.165 14.965 6.619 20 2HB PRO 5 2HB PRO 5 4.718 16.378 7.708 21 2HG PRO 5 2HG PRO 5 2.568 16.747 6.904 22 2HD PRO 5 2HD PRO 5 3.778 17.104 4.976 23 H ARG 6 H ARG 6 3.447 13.279 5.182 24 HA ARG 6 HA ARG 6 4.380 10.795 6.461 25 2HB ARG 6 2HB ARG 6 2.191 10.035 6.772 26 2HG ARG 6 2HG ARG 6 2.319 12.966 7.335 27 2HD ARG 6 2HD ARG 6 0.133 11.526 8.621 28 HE ARG 6 HE ARG 6 0.658 14.191 7.794 29 1HH1 ARG 6 2HH1 ARG 6 -1.927 11.943 8.414 30 2HH1 ARG 6 1HH1 ARG 6 -3.079 13.176 8.808 31 1HH2 ARG 6 2HH2 ARG 6 -0.850 15.823 8.312 32 2HH2 ARG 6 1HH2 ARG 6 -2.465 15.382 8.749 33 H GLU 7 H GLU 7 5.576 9.969 4.814 34 HA GLU 7 HA GLU 7 4.183 9.540 2.252 35 2HB GLU 7 2HB GLU 7 6.271 9.688 1.098 36 2HG GLU 7 2HG GLU 7 5.470 11.875 2.818 37 H VAL 8 H VAL 8 3.654 7.491 1.944 38 HA VAL 8 HA VAL 8 5.215 5.395 3.285 39 HB VAL 8 HB VAL 8 2.871 5.318 3.837 40 1HG1 VAL 8 1HG1 VAL 8 2.438 5.300 0.857 41 2HG1 VAL 8 2HG1 VAL 8 1.188 4.864 2.023 42 3HG1 VAL 8 3HG1 VAL 8 1.870 6.491 2.027 43 1HG2 VAL 8 1HG2 VAL 8 3.274 3.109 1.844 44 2HG2 VAL 8 2HG2 VAL 8 4.202 3.192 3.341 45 3HG2 VAL 8 3HG2 VAL 8 2.445 3.053 3.400 46 H THR 9 H THR 9 6.397 3.984 2.156 47 HA THR 9 HA THR 9 5.993 3.835 -0.758 48 HB THR 9 HB THR 9 8.308 3.834 -1.189 49 HG1 THR 9 HG1 THR 9 8.511 3.241 1.551 50 1HG2 THR 9 1HG2 THR 9 7.136 6.016 -0.112 51 2HG2 THR 9 2HG2 THR 9 8.783 6.000 -0.739 52 3HG2 THR 9 3HG2 THR 9 8.497 5.814 0.990 53 H MET 10 H MET 10 5.659 1.845 -1.502 54 HA MET 10 HA MET 10 5.962 -0.413 0.293 55 2HB MET 10 2HB MET 10 4.839 -1.677 -1.551 56 2HG MET 10 2HG MET 10 3.561 0.791 -0.452 57 1HE MET 10 1HE MET 10 3.303 -2.186 -2.734 58 2HE MET 10 2HE MET 10 1.895 -1.864 -3.747 59 3HE MET 10 3HE MET 10 3.343 -0.868 -3.905 60 H LYS 11 H LYS 11 7.389 -2.066 0.077 61 HA LYS 11 HA LYS 11 9.391 -1.809 -2.071 62 2HB LYS 11 2HB LYS 11 9.781 -3.031 0.666 63 2HG LYS 11 2HG LYS 11 11.922 -2.095 -1.212 64 2HD LYS 11 2HD LYS 11 11.979 -4.096 1.043 65 2HE LYS 11 2HE LYS 11 13.727 -4.044 -0.893 66 1HZ LYS 11 1HZ LYS 11 14.055 -1.471 0.213 67 2HZ LYS 11 2HZ LYS 11 14.855 -2.167 -1.103 68 3HZ LYS 11 3HZ LYS 11 15.468 -2.365 0.461 69 H LYS 12 H LYS 12 9.928 -3.577 -3.265 70 HA LYS 12 HA LYS 12 8.086 -5.668 -3.527 71 2HB LYS 12 2HB LYS 12 10.958 -5.856 -4.411 72 2HG LYS 12 2HG LYS 12 8.437 -7.143 -5.181 73 2HD LYS 12 2HD LYS 12 9.275 -5.459 -7.073 74 2HE LYS 12 2HE LYS 12 10.593 -7.850 -8.152 75 1HZ LYS 12 1HZ LYS 12 11.885 -5.258 -8.194 76 2HZ LYS 12 2HZ LYS 12 10.361 -5.306 -8.927 77 3HZ LYS 12 3HZ LYS 12 11.589 -6.341 -9.459 78 H GLY 13 H GLY 13 7.693 -7.195 -2.064 79 1HA GLY 13 2HA GLY 13 8.264 -9.218 -0.984 80 2HA GLY 13 1HA GLY 13 9.951 -8.723 -1.003 81 H ASP 14 H ASP 14 7.517 -6.489 0.046 82 HA ASP 14 HA ASP 14 8.458 -6.836 2.817 83 2HB ASP 14 2HB ASP 14 7.199 -4.268 2.177 84 H ILE 15 H ILE 15 6.921 -6.397 4.517 85 HA ILE 15 HA ILE 15 4.172 -7.059 3.701 86 HB ILE 15 HB ILE 15 5.433 -7.469 6.413 87 2HG1 ILE 15 2HG1 ILE 15 6.340 -8.850 4.431 88 1HG2 ILE 15 1HG2 ILE 15 2.768 -7.342 5.701 89 2HG2 ILE 15 2HG2 ILE 15 3.111 -9.071 5.721 90 3HG2 ILE 15 3HG2 ILE 15 3.424 -8.095 7.155 91 1HD1 ILE 15 1HD1 ILE 15 6.276 -10.987 5.676 92 2HD1 ILE 15 2HD1 ILE 15 6.785 -9.610 6.654 93 3HD1 ILE 15 3HD1 ILE 15 5.147 -10.246 6.812 94 H LEU 16 H LEU 16 2.920 -5.311 3.649 95 HA LEU 16 HA LEU 16 3.260 -3.275 5.749 96 2HB LEU 16 2HB LEU 16 2.712 -1.626 4.270 97 HG LEU 16 HG LEU 16 4.530 -3.386 3.149 98 1HD1 LEU 16 1HD1 LEU 16 3.779 -2.830 0.644 99 2HD1 LEU 16 2HD1 LEU 16 2.190 -3.042 1.378 100 3HD1 LEU 16 3HD1 LEU 16 3.377 -4.343 1.456 101 1HD2 LEU 16 1HD2 LEU 16 4.570 -1.195 1.496 102 2HD2 LEU 16 2HD2 LEU 16 5.374 -1.320 3.060 103 3HD2 LEU 16 3HD2 LEU 16 3.778 -0.577 2.946 104 H THR 17 H THR 17 1.624 -2.881 7.107 105 HA THR 17 HA THR 17 -0.462 -4.558 7.570 106 HB THR 17 HB THR 17 -0.494 -1.570 8.035 107 HG1 THR 17 HG1 THR 17 0.195 -2.304 10.177 108 1HG2 THR 17 1HG2 THR 17 -2.717 -2.739 8.197 109 2HG2 THR 17 2HG2 THR 17 -2.177 -1.954 9.681 110 3HG2 THR 17 3HG2 THR 17 -2.035 -3.702 9.506 111 H LEU 18 H LEU 18 -2.402 -4.992 6.713 112 HA LEU 18 HA LEU 18 -3.133 -3.832 4.206 113 2HB LEU 18 2HB LEU 18 -4.841 -5.608 5.930 114 HG LEU 18 HG LEU 18 -5.183 -6.611 3.482 115 1HD1 LEU 18 1HD1 LEU 18 -7.323 -5.773 3.580 116 2HD1 LEU 18 2HD1 LEU 18 -6.797 -4.203 4.190 117 3HD1 LEU 18 3HD1 LEU 18 -6.806 -5.607 5.258 118 1HD2 LEU 18 1HD2 LEU 18 -5.404 -4.841 1.842 119 2HD2 LEU 18 2HD2 LEU 18 -3.743 -4.920 2.427 120 3HD2 LEU 18 3HD2 LEU 18 -4.824 -3.654 3.011 121 H LEU 19 H LEU 19 -3.115 -1.630 5.453 122 HA LEU 19 HA LEU 19 -5.134 -0.802 7.132 123 2HB LEU 19 2HB LEU 19 -4.865 1.406 5.651 124 HG LEU 19 HG LEU 19 -4.041 1.444 7.891 125 1HD1 LEU 19 1HD1 LEU 19 -1.986 -0.490 6.869 126 2HD1 LEU 19 2HD1 LEU 19 -3.103 -0.677 8.221 127 3HD1 LEU 19 3HD1 LEU 19 -1.746 0.441 8.348 128 1HD2 LEU 19 1HD2 LEU 19 -1.601 2.006 6.243 129 2HD2 LEU 19 2HD2 LEU 19 -2.226 2.883 7.640 130 3HD2 LEU 19 3HD2 LEU 19 -3.056 2.990 6.087 131 H ASN 20 H ASN 20 -6.751 1.046 6.191 132 HA ASN 20 HA ASN 20 -8.974 -0.192 5.249 133 2HB ASN 20 2HB ASN 20 -8.787 2.459 4.073 134 1HD2 ASN 20 1HD2 ASN 20 -10.914 1.594 3.642 135 2HD2 ASN 20 2HD2 ASN 20 -12.141 1.722 4.852 136 H SER 21 H SER 21 -8.877 -1.613 3.595 137 HA SER 21 HA SER 21 -7.666 -0.773 1.065 138 2HB SER 21 2HB SER 21 -8.373 -3.307 0.562 139 HG SER 21 HG SER 21 -6.153 -2.322 2.001 140 H THR 22 H THR 22 -10.243 0.262 2.063 141 HA THR 22 HA THR 22 -12.476 -0.850 0.883 142 HB THR 22 HB THR 22 -12.844 0.985 2.318 143 HG1 THR 22 HG1 THR 22 -14.422 1.579 1.052 144 1HG2 THR 22 1HG2 THR 22 -10.497 1.998 1.343 145 2HG2 THR 22 2HG2 THR 22 -11.607 2.861 2.408 146 3HG2 THR 22 3HG2 THR 22 -11.687 3.107 0.664 147 H ASN 23 H ASN 23 -10.404 1.691 -0.529 148 HA ASN 23 HA ASN 23 -11.633 1.800 -3.025 149 2HB ASN 23 2HB ASN 23 -8.854 2.252 -3.402 150 1HD2 ASN 23 1HD2 ASN 23 -9.323 3.450 -5.120 151 2HD2 ASN 23 2HD2 ASN 23 -10.299 4.876 -5.105 152 H LYS 24 H LYS 24 -11.988 0.115 -4.313 153 HA LYS 24 HA LYS 24 -10.534 -2.279 -4.323 154 2HB LYS 24 2HB LYS 24 -12.877 -1.894 -5.206 155 2HG LYS 24 2HG LYS 24 -12.752 -1.587 -7.805 156 2HD LYS 24 2HD LYS 24 -12.526 1.056 -6.582 157 2HE LYS 24 2HE LYS 24 -13.743 0.726 -8.631 158 1HZ LYS 24 1HZ LYS 24 -15.908 -0.560 -8.460 159 2HZ LYS 24 2HZ LYS 24 -15.255 -1.285 -7.079 160 3HZ LYS 24 3HZ LYS 24 -14.487 -1.470 -8.574 161 H ASP 25 H ASP 25 -10.069 0.715 -6.041 162 HA ASP 25 HA ASP 25 -8.019 -0.471 -7.753 163 2HB ASP 25 2HB ASP 25 -8.000 1.645 -8.927 164 H TRP 26 H TRP 26 -8.159 0.667 -4.697 165 HA TRP 26 HA TRP 26 -5.311 1.106 -4.593 166 2HB TRP 26 2HB TRP 26 -5.567 3.306 -3.387 167 HD1 TRP 26 HD1 TRP 26 -7.651 3.497 -6.628 168 HE1 TRP 26 HE1 TRP 26 -6.219 4.642 -8.436 169 HE3 TRP 26 HE3 TRP 26 -3.247 3.876 -4.059 170 HZ2 TRP 26 HZ2 TRP 26 -3.575 5.580 -8.733 171 HZ3 TRP 26 HZ3 TRP 26 -1.314 4.909 -5.178 172 HH2 TRP 26 HH2 TRP 26 -1.476 5.742 -7.466 173 H TRP 27 H TRP 27 -4.661 -0.034 -2.903 174 HA TRP 27 HA TRP 27 -6.494 -0.362 -0.627 175 2HB TRP 27 2HB TRP 27 -4.633 -2.241 -0.161 176 HD1 TRP 27 HD1 TRP 27 -7.872 -1.440 -1.846 177 HE1 TRP 27 HE1 TRP 27 -9.368 -3.534 -1.909 178 HE3 TRP 27 HE3 TRP 27 -4.425 -4.944 -0.440 179 HZ2 TRP 27 HZ2 TRP 27 -9.121 -6.304 -1.425 180 HZ3 TRP 27 HZ3 TRP 27 -5.136 -7.294 -0.263 181 HH2 TRP 27 HH2 TRP 27 -7.435 -7.957 -0.746 182 H LYS 28 H LYS 28 -6.065 0.862 1.075 183 HA LYS 28 HA LYS 28 -3.659 2.299 1.424 184 2HB LYS 28 2HB LYS 28 -5.422 1.755 3.765 185 2HG LYS 28 2HG LYS 28 -4.710 4.442 2.674 186 2HD LYS 28 2HD LYS 28 -4.910 3.470 5.516 187 2HE LYS 28 2HE LYS 28 -5.102 6.199 4.246 188 1HZ LYS 28 1HZ LYS 28 -6.001 6.927 6.118 189 2HZ LYS 28 2HZ LYS 28 -4.812 6.180 7.060 190 3HZ LYS 28 3HZ LYS 28 -6.205 5.327 6.623 191 H VAL 29 H VAL 29 -1.853 1.897 2.590 192 HA VAL 29 HA VAL 29 -1.763 -0.415 4.368 193 HB VAL 29 HB VAL 29 0.260 -1.318 3.348 194 1HG1 VAL 29 1HG1 VAL 29 -1.774 -1.063 1.154 195 2HG1 VAL 29 2HG1 VAL 29 -0.757 -2.446 1.563 196 3HG1 VAL 29 3HG1 VAL 29 -2.095 -1.991 2.618 197 1HG2 VAL 29 1HG2 VAL 29 1.370 0.428 2.318 198 2HG2 VAL 29 2HG2 VAL 29 0.721 -0.456 0.938 199 3HG2 VAL 29 3HG2 VAL 29 -0.081 1.009 1.502 200 H GLU 30 H GLU 30 -0.324 -0.209 6.028 201 HA GLU 30 HA GLU 30 1.062 2.370 6.205 202 2HB GLU 30 2HB GLU 30 0.243 0.395 8.339 203 2HG GLU 30 2HG GLU 30 1.676 3.025 8.616 204 H VAL 31 H VAL 31 3.127 2.301 7.548 205 HA VAL 31 HA VAL 31 4.718 -0.074 6.825 206 HB VAL 31 HB VAL 31 6.366 2.275 7.025 207 1HG1 VAL 31 1HG1 VAL 31 6.681 1.506 4.510 208 2HG1 VAL 31 2HG1 VAL 31 7.341 0.576 5.856 209 3HG1 VAL 31 3HG1 VAL 31 5.828 0.080 5.099 210 1HG2 VAL 31 1HG2 VAL 31 4.590 3.647 6.329 211 2HG2 VAL 31 2HG2 VAL 31 5.501 3.304 4.858 212 3HG2 VAL 31 3HG2 VAL 31 3.996 2.444 5.184 213 H ASN 32 H ASN 32 4.534 2.760 8.963 214 HA ASN 32 HA ASN 32 4.960 1.310 11.319 215 2HB ASN 32 2HB ASN 32 7.286 1.277 10.069 216 1HD2 ASN 32 1HD2 ASN 32 7.806 3.016 8.748 217 2HD2 ASN 32 2HD2 ASN 32 8.516 4.462 9.372 218 H ASP 33 H ASP 33 5.167 4.326 9.577 219 HA ASP 33 HA ASP 33 3.975 5.692 11.866 220 2HB ASP 33 2HB ASP 33 6.551 6.480 10.527 221 H ARG 34 H ARG 34 4.810 5.666 8.453 222 HA ARG 34 HA ARG 34 2.810 7.744 7.925 223 2HB ARG 34 2HB ARG 34 3.820 8.050 5.805 224 2HG ARG 34 2HG ARG 34 5.740 7.703 8.029 225 2HD ARG 34 2HD ARG 34 6.838 8.597 5.418 226 HE ARG 34 HE ARG 34 7.930 7.968 7.930 227 1HH1 ARG 34 2HH1 ARG 34 8.564 7.524 4.536 228 2HH1 ARG 34 1HH1 ARG 34 10.283 7.444 4.734 229 1HH2 ARG 34 2HH2 ARG 34 10.191 7.865 8.204 230 2HH2 ARG 34 1HH2 ARG 34 11.207 7.638 6.822 231 H GLN 35 H GLN 35 1.897 7.229 5.488 232 HA GLN 35 HA GLN 35 1.236 4.640 4.764 233 2HB GLN 35 2HB GLN 35 -0.127 4.004 6.435 234 2HG GLN 35 2HG GLN 35 -0.006 6.839 7.213 235 1HE2 GLN 35 1HE2 GLN 35 -1.155 6.379 9.767 236 2HE2 GLN 35 2HE2 GLN 35 -2.872 6.412 9.582 237 H GLY 36 H GLY 36 -1.292 4.799 3.789 238 1HA GLY 36 2HA GLY 36 -2.438 6.971 2.751 239 2HA GLY 36 1HA GLY 36 -0.984 6.873 1.770 240 H PHE 37 H PHE 37 -2.767 6.723 0.100 241 HA PHE 37 HA PHE 37 -3.899 4.036 -0.121 242 2HB PHE 37 2HB PHE 37 -5.087 5.071 -2.129 243 HD1 PHE 37 HD1 PHE 37 -6.502 3.763 -0.440 244 HD2 PHE 37 HD2 PHE 37 -5.535 7.885 -0.010 245 HE1 PHE 37 HE1 PHE 37 -8.395 4.041 1.108 246 HE2 PHE 37 HE2 PHE 37 -7.425 8.171 1.539 247 HZ PHE 37 HZ PHE 37 -8.856 6.247 2.101 248 H VAL 38 H VAL 38 -2.987 2.532 -1.346 249 HA VAL 38 HA VAL 38 -1.188 3.381 -3.521 250 HB VAL 38 HB VAL 38 -0.008 1.122 -3.019 251 1HG1 VAL 38 1HG1 VAL 38 0.989 2.610 -0.878 252 2HG1 VAL 38 2HG1 VAL 38 1.554 2.632 -2.549 253 3HG1 VAL 38 3HG1 VAL 38 0.344 3.798 -2.011 254 1HG2 VAL 38 1HG2 VAL 38 -1.553 1.621 -0.498 255 2HG2 VAL 38 2HG2 VAL 38 -1.383 0.125 -1.415 256 3HG2 VAL 38 3HG2 VAL 38 -0.022 0.744 -0.479 257 HA PRO 39 HA PRO 39 -3.442 0.777 -6.241 258 2HB PRO 39 2HB PRO 39 -2.062 1.521 -7.921 259 2HG PRO 39 2HG PRO 39 0.201 1.892 -7.539 260 2HD PRO 39 2HD PRO 39 -0.697 3.060 -5.767 261 H ALA 40 H ALA 40 -4.319 -1.066 -5.531 262 HA ALA 40 HA ALA 40 -3.110 -3.060 -4.050 263 1HB ALA 40 1HB ALA 40 -5.111 -4.315 -5.589 264 2HB ALA 40 2HB ALA 40 -5.234 -3.689 -3.945 265 3HB ALA 40 3HB ALA 40 -5.638 -2.653 -5.314 266 H ALA 41 H ALA 41 -2.767 -2.391 -7.379 267 HA ALA 41 HA ALA 41 -2.167 -5.001 -8.321 268 1HB ALA 41 1HB ALA 41 -2.411 -2.432 -9.434 269 2HB ALA 41 2HB ALA 41 -0.783 -2.991 -9.822 270 3HB ALA 41 3HB ALA 41 -2.181 -3.962 -10.282 271 H TYR 42 H TYR 42 -0.333 -2.556 -6.663 272 HA TYR 42 HA TYR 42 2.215 -3.819 -7.243 273 2HB TYR 42 2HB TYR 42 3.049 -2.034 -5.602 274 HD1 TYR 42 HD1 TYR 42 0.633 -1.650 -8.421 275 HD2 TYR 42 HD2 TYR 42 4.375 -0.515 -6.746 276 HE1 TYR 42 HE1 TYR 42 1.150 -0.373 -10.459 277 HE2 TYR 42 HE2 TYR 42 4.903 0.766 -8.779 278 HH TYR 42 HH TYR 42 2.568 1.044 -11.433 279 H VAL 43 H VAL 43 -0.283 -4.282 -5.066 280 HA VAL 43 HA VAL 43 1.503 -5.765 -3.256 281 HB VAL 43 HB VAL 43 -0.110 -5.239 -1.401 282 1HG1 VAL 43 1HG1 VAL 43 0.773 -2.573 -1.900 283 2HG1 VAL 43 2HG1 VAL 43 1.448 -3.776 -0.799 284 3HG1 VAL 43 3HG1 VAL 43 2.003 -3.700 -2.472 285 1HG2 VAL 43 1HG2 VAL 43 -1.021 -2.841 -2.887 286 2HG2 VAL 43 2HG2 VAL 43 -1.793 -4.378 -3.276 287 3HG2 VAL 43 3HG2 VAL 43 -1.830 -3.766 -1.623 288 H LYS 44 H LYS 44 -0.115 -7.145 -1.731 289 HA LYS 44 HA LYS 44 -2.432 -8.202 -2.988 290 2HB LYS 44 2HB LYS 44 -0.179 -10.181 -2.930 291 2HG LYS 44 2HG LYS 44 -2.825 -9.991 -4.309 292 2HD LYS 44 2HD LYS 44 -1.281 -10.524 -6.089 293 2HE LYS 44 2HE LYS 44 0.165 -11.823 -4.018 294 1HZ LYS 44 1HZ LYS 44 -0.785 -13.611 -6.167 295 2HZ LYS 44 2HZ LYS 44 -0.699 -13.910 -4.504 296 3HZ LYS 44 3HZ LYS 44 0.717 -13.856 -5.427 297 H LYS 45 H LYS 45 -3.445 -9.869 -1.738 298 HA LYS 45 HA LYS 45 -2.894 -9.625 1.067 299 2HB LYS 45 2HB LYS 45 -4.767 -11.672 0.730 300 2HG LYS 45 2HG LYS 45 -5.774 -8.891 0.756 301 2HD LYS 45 2HD LYS 45 -6.437 -10.452 3.041 302 2HE LYS 45 2HE LYS 45 -8.374 -10.296 0.837 303 1HZ LYS 45 1HZ LYS 45 -8.397 -10.276 3.607 304 2HZ LYS 45 2HZ LYS 45 -9.726 -10.163 2.567 305 3HZ LYS 45 3HZ LYS 45 -8.970 -8.758 3.129 306 H LEU 46 H LEU 46 -2.184 -11.193 2.489 307 HA LEU 46 HA LEU 46 -0.946 -13.559 1.244 308 2HB LEU 46 2HB LEU 46 0.719 -13.502 3.002 309 HG LEU 46 HG LEU 46 0.424 -10.800 1.699 310 1HD1 LEU 46 1HD1 LEU 46 2.100 -10.019 2.919 311 2HD1 LEU 46 2HD1 LEU 46 3.098 -11.410 2.499 312 3HD1 LEU 46 3HD1 LEU 46 2.035 -11.480 3.905 313 1HD2 LEU 46 1HD2 LEU 46 1.000 -13.196 0.561 314 2HD2 LEU 46 2HD2 LEU 46 2.613 -12.621 0.982 315 3HD2 LEU 46 3HD2 LEU 46 1.566 -11.638 -0.044 316 H ASP 47 H ASP 47 -0.403 -15.169 3.248 317 HA ASP 47 HA ASP 47 -2.986 -15.621 4.595 318 2HB ASP 47 2HB ASP 47 -1.339 -17.999 4.349 319 H SER 48 H SER 48 -2.809 -15.141 6.679 320 HA SER 48 HA SER 48 -0.256 -15.500 8.047 321 2HB SER 48 2HB SER 48 -2.828 -14.195 8.971 322 HG SER 48 HG SER 48 -0.279 -14.451 10.172 323 H GLY 49 H GLY 49 -3.672 -16.161 8.858 324 1HA GLY 49 2HA GLY 49 -4.220 -18.558 9.287 325 2HA GLY 49 1HA GLY 49 -2.740 -18.606 10.233 326 H THR 50 H THR 50 -2.766 -16.553 11.855 327 HA THR 50 HA THR 50 -4.635 -17.209 13.834 328 HB THR 50 HB THR 50 -2.540 -16.168 14.440 329 HG1 THR 50 HG1 THR 50 -3.536 -15.290 16.079 330 1HG2 THR 50 1HG2 THR 50 -3.528 -13.609 13.193 331 2HG2 THR 50 2HG2 THR 50 -2.427 -14.718 12.376 332 3HG2 THR 50 3HG2 THR 50 -1.938 -13.936 13.879 333 H GLY 51 H GLY 51 -4.487 -14.335 11.723 334 1HA GLY 51 2HA GLY 51 -6.892 -13.940 10.812 335 2HA GLY 51 1HA GLY 51 -7.240 -13.679 12.515 336 H LYS 52 H LYS 52 -4.409 -12.703 10.612 337 HA LYS 52 HA LYS 52 -4.896 -9.939 11.470 338 2HB LYS 52 2HB LYS 52 -2.527 -9.551 10.904 339 2HG LYS 52 2HG LYS 52 -1.628 -11.573 12.447 340 2HD LYS 52 2HD LYS 52 -1.871 -8.971 12.779 341 2HE LYS 52 2HE LYS 52 -4.115 -10.139 14.408 342 1HZ LYS 52 1HZ LYS 52 -4.148 -7.677 15.216 343 2HZ LYS 52 2HZ LYS 52 -2.489 -7.746 14.894 344 3HZ LYS 52 3HZ LYS 52 -3.180 -8.820 16.003 345 H GLU 53 H GLU 53 -4.009 -8.274 9.826 346 HA GLU 53 HA GLU 53 -4.922 -9.027 7.128 347 2HB GLU 53 2HB GLU 53 -6.030 -6.972 6.861 348 2HG GLU 53 2HG GLU 53 -6.727 -6.990 9.690 349 H LEU 54 H LEU 54 -2.890 -9.372 6.281 350 HA LEU 54 HA LEU 54 -1.159 -6.992 6.128 351 2HB LEU 54 2HB LEU 54 0.362 -8.240 7.176 352 HG LEU 54 HG LEU 54 -1.356 -10.611 6.581 353 1HD1 LEU 54 1HD1 LEU 54 1.201 -11.107 7.967 354 2HD1 LEU 54 2HD1 LEU 54 1.285 -10.894 6.219 355 3HD1 LEU 54 3HD1 LEU 54 0.259 -12.154 6.905 356 1HD2 LEU 54 1HD2 LEU 54 -0.290 -9.212 9.007 357 2HD2 LEU 54 2HD2 LEU 54 -0.886 -10.869 9.100 358 3HD2 LEU 54 3HD2 LEU 54 -1.961 -9.573 8.573 359 H VAL 55 H VAL 55 0.052 -6.739 4.168 360 HA VAL 55 HA VAL 55 -0.842 -8.347 1.888 361 HB VAL 55 HB VAL 55 -0.870 -5.990 0.656 362 1HG1 VAL 55 1HG1 VAL 55 -3.287 -6.021 0.802 363 2HG1 VAL 55 2HG1 VAL 55 -2.673 -7.672 0.700 364 3HG1 VAL 55 3HG1 VAL 55 -3.213 -7.025 2.250 365 1HG2 VAL 55 1HG2 VAL 55 -0.342 -4.733 2.705 366 2HG2 VAL 55 2HG2 VAL 55 -1.899 -4.266 2.021 367 3HG2 VAL 55 3HG2 VAL 55 -1.838 -5.318 3.435 368 H LEU 56 H LEU 56 0.914 -9.056 0.888 369 HA LEU 56 HA LEU 56 3.499 -7.976 1.328 370 2HB LEU 56 2HB LEU 56 2.584 -9.875 -0.827 371 HG LEU 56 HG LEU 56 4.868 -10.854 -0.635 372 1HD1 LEU 56 1HD1 LEU 56 3.975 -8.699 -2.136 373 2HD1 LEU 56 2HD1 LEU 56 5.394 -9.695 -2.457 374 3HD1 LEU 56 3HD1 LEU 56 5.558 -8.197 -1.542 375 1HD2 LEU 56 1HD2 LEU 56 5.121 -9.326 1.591 376 2HD2 LEU 56 2HD2 LEU 56 5.982 -8.343 0.406 377 3HD2 LEU 56 3HD2 LEU 56 6.474 -10.013 0.692 378 H ALA 57 H ALA 57 4.876 -6.879 -0.087 379 HA ALA 57 HA ALA 57 3.486 -5.185 -2.015 380 1HB ALA 57 1HB ALA 57 4.757 -3.718 -0.879 381 2HB ALA 57 2HB ALA 57 5.919 -4.950 -0.381 382 3HB ALA 57 3HB ALA 57 6.020 -4.241 -1.993 383 H LEU 58 H LEU 58 3.305 -6.091 -3.974 384 HA LEU 58 HA LEU 58 5.191 -7.937 -5.043 385 2HB LEU 58 2HB LEU 58 3.831 -8.002 -6.963 386 HG LEU 58 HG LEU 58 1.920 -7.290 -4.738 387 1HD1 LEU 58 1HD1 LEU 58 0.201 -8.123 -5.999 388 2HD1 LEU 58 2HD1 LEU 58 1.264 -9.119 -6.992 389 3HD1 LEU 58 3HD1 LEU 58 1.187 -7.378 -7.258 390 1HD2 LEU 58 1HD2 LEU 58 3.364 -9.797 -5.488 391 2HD2 LEU 58 2HD2 LEU 58 1.773 -9.884 -4.732 392 3HD2 LEU 58 3HD2 LEU 58 3.107 -9.085 -3.896 393 H TYR 59 H TYR 59 4.415 -4.548 -5.788 394 HA TYR 59 HA TYR 59 7.050 -4.334 -7.091 395 2HB TYR 59 2HB TYR 59 6.185 -2.928 -8.751 396 HD1 TYR 59 HD1 TYR 59 6.284 -5.810 -8.806 397 HD2 TYR 59 HD2 TYR 59 2.898 -3.244 -9.036 398 HE1 TYR 59 HE1 TYR 59 5.053 -7.555 -10.026 399 HE2 TYR 59 HE2 TYR 59 1.657 -4.981 -10.257 400 HH TYR 59 HH TYR 59 1.648 -7.153 -10.868 401 H ASP 60 H ASP 60 7.932 -2.094 -7.091 402 HA ASP 60 HA ASP 60 7.742 -0.999 -4.423 403 2HB ASP 60 2HB ASP 60 9.951 -1.082 -5.188 404 H TYR 61 H TYR 61 6.692 0.791 -3.817 405 HA TYR 61 HA TYR 61 5.650 2.579 -5.910 406 2HB TYR 61 2HB TYR 61 4.138 1.622 -3.469 407 HD1 TYR 61 HD1 TYR 61 2.564 2.452 -6.626 408 HD2 TYR 61 HD2 TYR 61 3.626 3.958 -2.791 409 HE1 TYR 61 HE1 TYR 61 0.988 4.315 -6.929 410 HE2 TYR 61 HE2 TYR 61 2.052 5.825 -3.083 411 HH TYR 61 HH TYR 61 -0.007 6.309 -4.408 412 H GLN 62 H GLN 62 4.832 4.684 -4.907 413 HA GLN 62 HA GLN 62 6.281 5.470 -2.503 414 2HB GLN 62 2HB GLN 62 6.610 7.520 -4.512 415 2HG GLN 62 2HG GLN 62 9.087 6.965 -3.988 416 1HE2 GLN 62 1HE2 GLN 62 6.581 7.208 -1.483 417 2HE2 GLN 62 2HE2 GLN 62 7.016 8.796 -0.962 418 H GLU 63 H GLU 63 4.923 6.550 -1.251 419 HA GLU 63 HA GLU 63 2.817 8.169 -2.527 420 2HB GLU 63 2HB GLU 63 2.309 7.185 0.207 421 2HG GLU 63 2HG GLU 63 0.121 7.137 -0.408 422 H SER 64 H SER 64 2.641 10.239 -1.906 423 HA SER 64 HA SER 64 4.298 11.122 0.366 424 2HB SER 64 2HB SER 64 5.222 11.990 -1.684 425 HG SER 64 HG SER 64 4.016 12.948 -3.219 426 H GLY 65 H GLY 65 2.589 10.886 1.856 427 1HA GLY 65 2HA GLY 65 1.049 12.014 3.201 428 2HA GLY 65 1HA GLY 65 0.800 13.173 1.904 429 H ASP 66 H ASP 66 -0.443 10.473 3.516 430 HA ASP 66 HA ASP 66 -1.899 8.985 1.830 431 2HB ASP 66 2HB ASP 66 -2.023 8.900 4.326 432 H ASN 67 H ASN 67 -2.752 9.680 -0.038 433 HA ASN 67 HA ASN 67 -4.721 11.868 0.098 434 2HB ASN 67 2HB ASN 67 -4.102 12.481 -2.199 435 1HD2 ASN 67 1HD2 ASN 67 -3.746 13.558 0.281 436 2HD2 ASN 67 2HD2 ASN 67 -2.178 14.275 0.387 437 H ALA 68 H ALA 68 -6.690 11.488 -0.751 438 HA ALA 68 HA ALA 68 -7.598 8.900 -1.207 439 1HB ALA 68 1HB ALA 68 -9.606 10.035 -2.233 440 2HB ALA 68 2HB ALA 68 -9.178 10.553 -0.602 441 3HB ALA 68 3HB ALA 68 -8.759 11.563 -1.986 442 HA PRO 69 HA PRO 69 -6.245 8.001 -5.311 443 2HB PRO 69 2HB PRO 69 -6.544 5.792 -4.754 444 2HG PRO 69 2HG PRO 69 -8.246 5.139 -3.308 445 2HD PRO 69 2HD PRO 69 -7.303 6.840 -2.070 446 H SER 70 H SER 70 -7.144 10.114 -6.030 447 HA SER 70 HA SER 70 -9.817 10.114 -7.129 448 2HB SER 70 2HB SER 70 -7.946 12.279 -7.886 449 HG SER 70 HG SER 70 -9.756 13.356 -7.823 450 H TYR 71 H TYR 71 -6.905 8.905 -8.135 451 HA TYR 71 HA TYR 71 -7.760 8.987 -10.946 452 2HB TYR 71 2HB TYR 71 -5.966 10.526 -10.926 453 HD1 TYR 71 HD1 TYR 71 -4.572 7.447 -9.315 454 HD2 TYR 71 HD2 TYR 71 -4.473 11.690 -9.619 455 HE1 TYR 71 HE1 TYR 71 -2.848 7.526 -7.563 456 HE2 TYR 71 HE2 TYR 71 -2.747 11.780 -7.870 457 HH TYR 71 HH TYR 71 -1.847 8.968 -6.028 458 H SER 72 H SER 72 -6.471 7.291 -12.244 459 HA SER 72 HA SER 72 -6.937 4.756 -11.002 460 2HB SER 72 2HB SER 72 -7.405 4.584 -13.241 461 HG SER 72 HG SER 72 -5.342 6.461 -13.554 462 HA PRO 73 HA PRO 73 -2.960 3.729 -9.460 463 2HB PRO 73 2HB PRO 73 -3.850 1.718 -8.796 464 2HG PRO 73 2HG PRO 73 -5.403 0.598 -10.116 465 2HD PRO 73 2HD PRO 73 -6.355 2.697 -10.077 466 HA PRO 74 HA PRO 74 -0.025 4.073 -12.740 467 2HB PRO 74 2HB PRO 74 1.402 4.949 -11.167 468 2HG PRO 74 2HG PRO 74 1.379 4.189 -8.970 469 2HD PRO 74 2HD PRO 74 -0.871 4.584 -9.277 470 HA PRO 75 HA PRO 75 0.585 0.061 -14.454 471 2HB PRO 75 2HB PRO 75 1.056 1.127 -16.434 472 2HG PRO 75 2HG PRO 75 2.203 3.150 -16.464 473 2HD PRO 75 2HD PRO 75 0.585 3.636 -14.897 474 HA PRO 76 HA PRO 76 3.679 -1.663 -11.734 475 2HB PRO 76 2HB PRO 76 2.152 -3.324 -11.300 476 2HG PRO 76 2HG PRO 76 0.604 -3.978 -12.907 477 2HD PRO 76 2HD PRO 76 0.295 -1.694 -12.965 478 HA PRO 77 HA PRO 77 7.198 -2.587 -14.203 479 2HB PRO 77 2HB PRO 77 8.366 -2.972 -12.262 480 2HG PRO 77 2HG PRO 77 7.377 -4.063 -10.463 481 2HD PRO 77 2HD PRO 77 5.762 -2.479 -10.902 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -0.744 25.856 3.208 2 1HA GLY 1 2HA GLY 1 2.135 25.911 3.160 3 2HA GLY 1 1HA GLY 1 1.126 25.023 4.291 4 H ALA 2 H ALA 2 2.864 23.396 3.932 5 HA ALA 2 HA ALA 2 2.561 21.919 1.416 6 1HB ALA 2 1HB ALA 2 4.588 21.355 3.561 7 2HB ALA 2 2HB ALA 2 4.631 20.892 1.858 8 3HB ALA 2 3HB ALA 2 4.842 22.582 2.319 9 H MET 3 H MET 3 1.647 19.947 1.316 10 HA MET 3 HA MET 3 -0.126 19.017 3.184 11 2HB MET 3 2HB MET 3 1.318 16.962 1.589 12 2HG MET 3 2HG MET 3 -1.238 17.219 2.736 13 1HE MET 3 1HE MET 3 -3.207 15.573 -0.547 14 2HE MET 3 2HE MET 3 -1.558 15.652 -1.166 15 3HE MET 3 3HE MET 3 -1.870 14.953 0.424 16 H GLY 4 H GLY 4 0.083 16.669 4.164 17 1HA GLY 4 2HA GLY 4 1.963 16.874 6.283 18 2HA GLY 4 1HA GLY 4 0.920 15.497 5.957 19 HA PRO 5 HA PRO 5 5.514 14.888 4.621 20 2HB PRO 5 2HB PRO 5 6.643 15.703 6.449 21 2HG PRO 5 2HG PRO 5 5.606 15.868 8.523 22 2HD PRO 5 2HD PRO 5 4.025 16.906 7.206 23 H ARG 6 H ARG 6 2.895 13.279 5.802 24 HA ARG 6 HA ARG 6 3.898 10.668 6.233 25 2HB ARG 6 2HB ARG 6 1.528 9.963 5.868 26 2HG ARG 6 2HG ARG 6 0.600 10.953 7.779 27 2HD ARG 6 2HD ARG 6 2.852 9.760 8.048 28 HE ARG 6 HE ARG 6 3.865 12.372 7.789 29 1HH1 ARG 6 2HH1 ARG 6 4.212 9.524 9.759 30 2HH1 ARG 6 1HH1 ARG 6 5.866 9.847 10.164 31 1HH2 ARG 6 2HH2 ARG 6 6.041 12.810 8.315 32 2HH2 ARG 6 1HH2 ARG 6 6.904 11.716 9.343 33 H GLU 7 H GLU 7 5.178 9.839 4.664 34 HA GLU 7 HA GLU 7 4.000 9.600 1.973 35 2HB GLU 7 2HB GLU 7 6.160 9.777 0.986 36 2HG GLU 7 2HG GLU 7 5.466 11.851 2.959 37 H VAL 8 H VAL 8 3.228 7.577 1.904 38 HA VAL 8 HA VAL 8 4.700 5.391 3.139 39 HB VAL 8 HB VAL 8 2.109 5.734 3.144 40 1HG1 VAL 8 1HG1 VAL 8 0.932 4.636 1.354 41 2HG1 VAL 8 2HG1 VAL 8 1.958 5.900 0.673 42 3HG1 VAL 8 3HG1 VAL 8 2.450 4.209 0.565 43 1HG2 VAL 8 1HG2 VAL 8 3.140 2.983 2.495 44 2HG2 VAL 8 2HG2 VAL 8 3.474 3.790 4.028 45 3HG2 VAL 8 3HG2 VAL 8 1.810 3.426 3.565 46 H THR 9 H THR 9 6.093 4.168 2.065 47 HA THR 9 HA THR 9 5.826 3.953 -0.861 48 HB THR 9 HB THR 9 8.289 3.860 -1.031 49 HG1 THR 9 HG1 THR 9 8.449 3.281 1.337 50 1HG2 THR 9 1HG2 THR 9 8.237 6.401 0.270 51 2HG2 THR 9 2HG2 THR 9 6.686 6.137 -0.527 52 3HG2 THR 9 3HG2 THR 9 8.182 6.043 -1.455 53 H MET 10 H MET 10 5.551 1.932 -1.522 54 HA MET 10 HA MET 10 6.088 -0.267 0.302 55 2HB MET 10 2HB MET 10 4.819 -1.630 -1.225 56 2HG MET 10 2HG MET 10 3.650 1.074 -0.730 57 1HE MET 10 1HE MET 10 1.987 -2.059 -3.560 58 2HE MET 10 2HE MET 10 3.484 -1.153 -3.785 59 3HE MET 10 3HE MET 10 3.324 -2.270 -2.429 60 H LYS 11 H LYS 11 7.562 -1.880 -0.018 61 HA LYS 11 HA LYS 11 9.379 -1.566 -2.317 62 2HB LYS 11 2HB LYS 11 10.292 -2.708 0.302 63 2HG LYS 11 2HG LYS 11 11.707 -2.732 -1.819 64 2HD LYS 11 2HD LYS 11 12.980 -0.310 -1.596 65 2HE LYS 11 2HE LYS 11 11.269 0.102 -3.693 66 1HZ LYS 11 1HZ LYS 11 13.290 0.019 -4.569 67 2HZ LYS 11 2HZ LYS 11 13.137 -1.664 -4.651 68 3HZ LYS 11 3HZ LYS 11 13.887 -0.946 -3.314 69 H LYS 12 H LYS 12 9.786 -3.334 -3.510 70 HA LYS 12 HA LYS 12 8.198 -5.581 -3.450 71 2HB LYS 12 2HB LYS 12 11.032 -5.733 -4.436 72 2HG LYS 12 2HG LYS 12 8.472 -7.034 -5.097 73 2HD LYS 12 2HD LYS 12 10.381 -5.996 -7.159 74 2HE LYS 12 2HE LYS 12 8.660 -7.897 -8.342 75 1HZ LYS 12 1HZ LYS 12 10.577 -8.638 -9.312 76 2HZ LYS 12 2HZ LYS 12 11.513 -8.441 -7.917 77 3HZ LYS 12 3HZ LYS 12 11.072 -7.091 -8.838 78 H GLY 13 H GLY 13 7.965 -7.000 -1.850 79 1HA GLY 13 2HA GLY 13 8.741 -8.903 -0.664 80 2HA GLY 13 1HA GLY 13 10.373 -8.253 -0.741 81 H ASP 14 H ASP 14 7.352 -6.746 0.362 82 HA ASP 14 HA ASP 14 8.391 -6.705 3.096 83 2HB ASP 14 2HB ASP 14 7.152 -4.164 2.319 84 H ILE 15 H ILE 15 6.791 -6.372 4.709 85 HA ILE 15 HA ILE 15 4.069 -6.965 3.761 86 HB ILE 15 HB ILE 15 5.256 -7.498 6.486 87 2HG1 ILE 15 2HG1 ILE 15 6.093 -8.853 4.442 88 1HG2 ILE 15 1HG2 ILE 15 2.895 -9.003 5.804 89 2HG2 ILE 15 2HG2 ILE 15 3.206 -7.972 7.200 90 3HG2 ILE 15 3HG2 ILE 15 2.590 -7.269 5.705 91 1HD1 ILE 15 1HD1 ILE 15 6.385 -9.594 6.789 92 2HD1 ILE 15 2HD1 ILE 15 4.841 -10.438 6.668 93 3HD1 ILE 15 3HD1 ILE 15 6.191 -10.915 5.637 94 H LEU 16 H LEU 16 2.896 -5.158 3.673 95 HA LEU 16 HA LEU 16 3.187 -3.178 5.827 96 2HB LEU 16 2HB LEU 16 2.612 -1.521 4.363 97 HG LEU 16 HG LEU 16 4.468 -3.228 3.247 98 1HD1 LEU 16 1HD1 LEU 16 3.361 -4.243 1.562 99 2HD1 LEU 16 2HD1 LEU 16 3.695 -2.722 0.733 100 3HD1 LEU 16 3HD1 LEU 16 2.119 -2.994 1.476 101 1HD2 LEU 16 1HD2 LEU 16 3.630 -0.447 3.008 102 2HD2 LEU 16 2HD2 LEU 16 4.435 -1.057 1.563 103 3HD2 LEU 16 3HD2 LEU 16 5.249 -1.139 3.126 104 H THR 17 H THR 17 1.595 -2.907 7.248 105 HA THR 17 HA THR 17 -0.495 -4.565 7.677 106 HB THR 17 HB THR 17 -0.559 -1.587 8.208 107 HG1 THR 17 HG1 THR 17 0.948 -2.056 9.607 108 1HG2 THR 17 1HG2 THR 17 -2.757 -2.595 8.467 109 2HG2 THR 17 2HG2 THR 17 -2.085 -2.198 10.050 110 3HG2 THR 17 3HG2 THR 17 -2.078 -3.867 9.481 111 H LEU 18 H LEU 18 -2.341 -5.066 6.696 112 HA LEU 18 HA LEU 18 -3.130 -3.800 4.278 113 2HB LEU 18 2HB LEU 18 -4.785 -5.678 5.950 114 HG LEU 18 HG LEU 18 -5.091 -6.534 3.397 115 1HD1 LEU 18 1HD1 LEU 18 -6.868 -4.408 4.548 116 2HD1 LEU 18 2HD1 LEU 18 -6.766 -6.020 5.257 117 3HD1 LEU 18 3HD1 LEU 18 -7.309 -5.822 3.590 118 1HD2 LEU 18 1HD2 LEU 18 -5.534 -4.636 1.971 119 2HD2 LEU 18 2HD2 LEU 18 -3.861 -4.578 2.527 120 3HD2 LEU 18 3HD2 LEU 18 -5.071 -3.521 3.256 121 H LEU 19 H LEU 19 -3.221 -1.608 5.371 122 HA LEU 19 HA LEU 19 -5.205 -0.860 7.166 123 2HB LEU 19 2HB LEU 19 -5.028 1.361 5.675 124 HG LEU 19 HG LEU 19 -4.198 1.435 7.912 125 1HD1 LEU 19 1HD1 LEU 19 -2.110 -0.464 6.897 126 2HD1 LEU 19 2HD1 LEU 19 -3.202 -0.647 8.270 127 3HD1 LEU 19 3HD1 LEU 19 -1.863 0.497 8.355 128 1HD2 LEU 19 1HD2 LEU 19 -2.251 2.804 7.648 129 2HD2 LEU 19 2HD2 LEU 19 -3.316 3.091 6.273 130 3HD2 LEU 19 3HD2 LEU 19 -1.887 2.074 6.085 131 H ASN 20 H ASN 20 -6.900 0.939 6.282 132 HA ASN 20 HA ASN 20 -9.099 -0.361 5.364 133 2HB ASN 20 2HB ASN 20 -9.173 2.253 4.208 134 1HD2 ASN 20 1HD2 ASN 20 -11.315 2.183 4.184 135 2HD2 ASN 20 2HD2 ASN 20 -12.324 1.946 5.567 136 H SER 21 H SER 21 -9.320 -1.597 3.624 137 HA SER 21 HA SER 21 -7.953 -0.859 1.142 138 2HB SER 21 2HB SER 21 -8.230 -3.290 2.399 139 HG SER 21 HG SER 21 -9.580 -4.501 1.011 140 H THR 22 H THR 22 -10.509 0.329 2.293 141 HA THR 22 HA THR 22 -12.847 -0.243 1.175 142 HB THR 22 HB THR 22 -12.928 2.346 0.516 143 HG1 THR 22 HG1 THR 22 -11.393 3.332 2.134 144 1HG2 THR 22 1HG2 THR 22 -14.203 1.318 2.322 145 2HG2 THR 22 2HG2 THR 22 -13.478 2.830 2.868 146 3HG2 THR 22 3HG2 THR 22 -12.765 1.289 3.342 147 H ASN 23 H ASN 23 -10.460 1.684 -0.657 148 HA ASN 23 HA ASN 23 -11.809 1.547 -3.108 149 2HB ASN 23 2HB ASN 23 -9.112 1.766 -3.762 150 1HD2 ASN 23 1HD2 ASN 23 -9.012 3.416 -5.113 151 2HD2 ASN 23 2HD2 ASN 23 -10.092 4.763 -5.142 152 H LYS 24 H LYS 24 -11.342 0.335 -5.007 153 HA LYS 24 HA LYS 24 -10.624 -2.421 -4.419 154 2HB LYS 24 2HB LYS 24 -11.238 -2.269 -7.122 155 2HG LYS 24 2HG LYS 24 -13.374 -2.608 -5.050 156 2HD LYS 24 2HD LYS 24 -13.177 -4.619 -7.095 157 2HE LYS 24 2HE LYS 24 -15.181 -2.635 -6.118 158 1HZ LYS 24 1HZ LYS 24 -16.362 -2.648 -7.973 159 2HZ LYS 24 2HZ LYS 24 -16.308 -4.336 -8.068 160 3HZ LYS 24 3HZ LYS 24 -15.082 -3.409 -8.776 161 H ASP 25 H ASP 25 -9.656 0.145 -6.681 162 HA ASP 25 HA ASP 25 -7.393 -1.406 -7.608 163 2HB ASP 25 2HB ASP 25 -6.925 0.889 -8.796 164 H TRP 26 H TRP 26 -8.052 0.745 -5.075 165 HA TRP 26 HA TRP 26 -5.168 1.084 -4.592 166 2HB TRP 26 2HB TRP 26 -5.742 3.274 -3.492 167 HD1 TRP 26 HD1 TRP 26 -7.625 3.324 -6.840 168 HE1 TRP 26 HE1 TRP 26 -6.150 4.507 -8.585 169 HE3 TRP 26 HE3 TRP 26 -3.360 3.855 -4.071 170 HZ2 TRP 26 HZ2 TRP 26 -3.525 5.530 -8.764 171 HZ3 TRP 26 HZ3 TRP 26 -1.411 4.947 -5.103 172 HH2 TRP 26 HH2 TRP 26 -1.494 5.765 -7.402 173 H TRP 27 H TRP 27 -4.617 -0.057 -2.866 174 HA TRP 27 HA TRP 27 -6.581 -0.380 -0.697 175 2HB TRP 27 2HB TRP 27 -4.726 -2.249 -0.118 176 HD1 TRP 27 HD1 TRP 27 -7.922 -1.479 -1.891 177 HE1 TRP 27 HE1 TRP 27 -9.418 -3.573 -1.954 178 HE3 TRP 27 HE3 TRP 27 -4.511 -4.961 -0.351 179 HZ2 TRP 27 HZ2 TRP 27 -9.183 -6.335 -1.420 180 HZ3 TRP 27 HZ3 TRP 27 -5.227 -7.306 -0.151 181 HH2 TRP 27 HH2 TRP 27 -7.515 -7.977 -0.676 182 H LYS 28 H LYS 28 -6.235 0.868 1.007 183 HA LYS 28 HA LYS 28 -3.899 2.356 1.459 184 2HB LYS 28 2HB LYS 28 -5.775 1.636 3.685 185 2HG LYS 28 2HG LYS 28 -4.720 4.332 2.883 186 2HD LYS 28 2HD LYS 28 -5.622 3.379 5.587 187 2HE LYS 28 2HE LYS 28 -4.806 5.930 4.355 188 1HZ LYS 28 1HZ LYS 28 -6.434 7.217 5.120 189 2HZ LYS 28 2HZ LYS 28 -6.555 6.376 6.583 190 3HZ LYS 28 3HZ LYS 28 -7.379 5.816 5.215 191 H VAL 29 H VAL 29 -2.071 1.977 2.576 192 HA VAL 29 HA VAL 29 -1.907 -0.335 4.352 193 HB VAL 29 HB VAL 29 0.061 -1.248 3.322 194 1HG1 VAL 29 1HG1 VAL 29 -0.888 -1.781 0.992 195 2HG1 VAL 29 2HG1 VAL 29 -1.838 -2.245 2.405 196 3HG1 VAL 29 3HG1 VAL 29 -2.267 -0.801 1.487 197 1HG2 VAL 29 1HG2 VAL 29 -0.165 1.056 1.393 198 2HG2 VAL 29 2HG2 VAL 29 1.150 0.725 2.521 199 3HG2 VAL 29 3HG2 VAL 29 0.881 -0.341 1.141 200 H GLU 30 H GLU 30 -0.482 -0.083 6.013 201 HA GLU 30 HA GLU 30 0.717 2.561 6.286 202 2HB GLU 30 2HB GLU 30 0.118 0.329 8.210 203 2HG GLU 30 2HG GLU 30 1.972 2.628 8.607 204 H VAL 31 H VAL 31 2.899 2.856 6.966 205 HA VAL 31 HA VAL 31 4.687 0.577 6.455 206 HB VAL 31 HB VAL 31 4.949 3.354 5.304 207 1HG1 VAL 31 1HG1 VAL 31 7.088 2.178 4.299 208 2HG1 VAL 31 2HG1 VAL 31 7.141 3.007 5.857 209 3HG1 VAL 31 3HG1 VAL 31 6.992 1.249 5.795 210 1HG2 VAL 31 1HG2 VAL 31 3.543 1.638 4.119 211 2HG2 VAL 31 2HG2 VAL 31 4.886 2.290 3.179 212 3HG2 VAL 31 3HG2 VAL 31 5.014 0.687 3.906 213 H ASN 32 H ASN 32 4.694 0.541 8.824 214 HA ASN 32 HA ASN 32 5.815 0.847 10.782 215 2HB ASN 32 2HB ASN 32 7.953 1.932 10.787 216 1HD2 ASN 32 1HD2 ASN 32 7.851 1.881 7.363 217 2HD2 ASN 32 2HD2 ASN 32 8.543 0.313 7.143 218 H ASP 33 H ASP 33 6.100 4.070 9.287 219 HA ASP 33 HA ASP 33 4.363 5.123 11.417 220 2HB ASP 33 2HB ASP 33 6.251 7.115 10.583 221 H ARG 34 H ARG 34 5.284 5.078 8.106 222 HA ARG 34 HA ARG 34 3.519 7.337 7.483 223 2HB ARG 34 2HB ARG 34 4.598 7.511 5.403 224 2HG ARG 34 2HG ARG 34 6.381 7.014 7.666 225 2HD ARG 34 2HD ARG 34 7.273 6.600 4.841 226 HE ARG 34 HE ARG 34 8.911 8.148 5.333 227 1HH1 ARG 34 2HH1 ARG 34 8.490 5.954 8.003 228 2HH1 ARG 34 1HH1 ARG 34 9.919 6.479 8.829 229 1HH2 ARG 34 2HH2 ARG 34 10.795 8.848 6.412 230 2HH2 ARG 34 1HH2 ARG 34 11.229 8.126 7.925 231 H GLN 35 H GLN 35 1.503 6.941 6.878 232 HA GLN 35 HA GLN 35 0.911 4.408 5.502 233 2HB GLN 35 2HB GLN 35 -0.661 3.824 6.993 234 2HG GLN 35 2HG GLN 35 0.547 6.072 8.581 235 1HE2 GLN 35 1HE2 GLN 35 -1.054 6.801 9.848 236 2HE2 GLN 35 2HE2 GLN 35 -2.017 5.809 10.884 237 H GLY 36 H GLY 36 -0.408 4.527 3.752 238 1HA GLY 36 2HA GLY 36 -2.106 6.797 3.265 239 2HA GLY 36 1HA GLY 36 -0.665 6.796 2.258 240 H PHE 37 H PHE 37 -2.495 6.729 0.621 241 HA PHE 37 HA PHE 37 -3.664 4.091 0.250 242 2HB PHE 37 2HB PHE 37 -4.683 5.241 -1.805 243 HD1 PHE 37 HD1 PHE 37 -6.624 4.265 -0.847 244 HD2 PHE 37 HD2 PHE 37 -4.778 7.631 0.991 245 HE1 PHE 37 HE1 PHE 37 -8.596 4.554 0.595 246 HE2 PHE 37 HE2 PHE 37 -6.747 7.926 2.437 247 HZ PHE 37 HZ PHE 37 -8.658 6.386 2.241 248 H VAL 38 H VAL 38 -3.064 2.635 -1.264 249 HA VAL 38 HA VAL 38 -1.081 3.407 -3.278 250 HB VAL 38 HB VAL 38 0.128 1.212 -2.790 251 1HG1 VAL 38 1HG1 VAL 38 0.311 3.798 -1.488 252 2HG1 VAL 38 2HG1 VAL 38 1.005 2.505 -0.508 253 3HG1 VAL 38 3HG1 VAL 38 1.584 2.774 -2.152 254 1HG2 VAL 38 1HG2 VAL 38 -0.020 0.392 -0.487 255 2HG2 VAL 38 2HG2 VAL 38 -1.326 1.532 -0.164 256 3HG2 VAL 38 3HG2 VAL 38 -1.560 0.229 -1.329 257 HA PRO 39 HA PRO 39 -3.407 0.847 -5.983 258 2HB PRO 39 2HB PRO 39 -2.065 1.623 -7.679 259 2HG PRO 39 2HG PRO 39 0.204 2.002 -7.336 260 2HD PRO 39 2HD PRO 39 -0.667 3.140 -5.531 261 H ALA 40 H ALA 40 -4.260 -1.012 -5.286 262 HA ALA 40 HA ALA 40 -3.016 -3.018 -3.853 263 1HB ALA 40 1HB ALA 40 -4.916 -4.479 -4.679 264 2HB ALA 40 2HB ALA 40 -5.372 -2.976 -3.874 265 3HB ALA 40 3HB ALA 40 -5.437 -3.089 -5.633 266 H ALA 41 H ALA 41 -2.869 -2.368 -7.232 267 HA ALA 41 HA ALA 41 -2.228 -4.927 -8.210 268 1HB ALA 41 1HB ALA 41 -2.192 -3.866 -10.161 269 2HB ALA 41 2HB ALA 41 -2.510 -2.370 -9.282 270 3HB ALA 41 3HB ALA 41 -0.850 -2.844 -9.647 271 H TYR 42 H TYR 42 -0.354 -2.543 -6.513 272 HA TYR 42 HA TYR 42 2.170 -3.836 -7.141 273 2HB TYR 42 2HB TYR 42 3.058 -2.067 -5.513 274 HD1 TYR 42 HD1 TYR 42 4.400 -0.589 -6.684 275 HD2 TYR 42 HD2 TYR 42 0.592 -1.614 -8.280 276 HE1 TYR 42 HE1 TYR 42 4.918 0.688 -8.722 277 HE2 TYR 42 HE2 TYR 42 1.099 -0.340 -10.323 278 HH TYR 42 HH TYR 42 4.245 1.240 -10.770 279 H VAL 43 H VAL 43 -0.311 -4.337 -4.989 280 HA VAL 43 HA VAL 43 1.476 -5.805 -3.169 281 HB VAL 43 HB VAL 43 -0.212 -5.299 -1.338 282 1HG1 VAL 43 1HG1 VAL 43 1.492 -4.027 -0.696 283 2HG1 VAL 43 2HG1 VAL 43 1.962 -3.732 -2.371 284 3HG1 VAL 43 3HG1 VAL 43 0.775 -2.686 -1.589 285 1HG2 VAL 43 1HG2 VAL 43 -1.040 -3.201 -3.338 286 2HG2 VAL 43 2HG2 VAL 43 -2.042 -4.490 -2.673 287 3HG2 VAL 43 3HG2 VAL 43 -1.480 -3.182 -1.631 288 H LYS 44 H LYS 44 -0.042 -7.271 -1.700 289 HA LYS 44 HA LYS 44 -2.401 -8.304 -2.909 290 2HB LYS 44 2HB LYS 44 0.209 -9.698 -3.404 291 2HG LYS 44 2HG LYS 44 -1.692 -11.494 -4.237 292 2HD LYS 44 2HD LYS 44 -0.786 -12.960 -2.535 293 2HE LYS 44 2HE LYS 44 1.718 -11.648 -2.835 294 1HZ LYS 44 1HZ LYS 44 0.637 -14.096 -3.338 295 2HZ LYS 44 2HZ LYS 44 2.227 -13.628 -3.670 296 3HZ LYS 44 3HZ LYS 44 1.049 -13.533 -4.879 297 H LYS 45 H LYS 45 -3.523 -9.608 -1.521 298 HA LYS 45 HA LYS 45 -2.790 -9.593 1.203 299 2HB LYS 45 2HB LYS 45 -4.731 -11.603 0.834 300 2HG LYS 45 2HG LYS 45 -5.275 -8.681 1.300 301 2HD LYS 45 2HD LYS 45 -6.762 -10.643 2.833 302 2HE LYS 45 2HE LYS 45 -7.212 -8.172 1.292 303 1HZ LYS 45 1HZ LYS 45 -9.545 -8.484 1.083 304 2HZ LYS 45 2HZ LYS 45 -9.482 -10.011 1.808 305 3HZ LYS 45 3HZ LYS 45 -8.797 -9.772 0.280 306 H LEU 46 H LEU 46 -1.999 -11.172 2.545 307 HA LEU 46 HA LEU 46 -0.867 -13.535 1.203 308 2HB LEU 46 2HB LEU 46 0.829 -13.570 2.926 309 HG LEU 46 HG LEU 46 0.515 -10.870 1.646 310 1HD1 LEU 46 1HD1 LEU 46 2.083 -9.962 2.921 311 2HD1 LEU 46 2HD1 LEU 46 3.156 -11.336 2.661 312 3HD1 LEU 46 3HD1 LEU 46 1.984 -11.370 3.979 313 1HD2 LEU 46 1HD2 LEU 46 1.879 -13.408 1.046 314 2HD2 LEU 46 2HD2 LEU 46 2.822 -11.948 0.748 315 3HD2 LEU 46 3HD2 LEU 46 1.259 -12.165 -0.039 316 H ASP 47 H ASP 47 -0.318 -15.230 3.134 317 HA ASP 47 HA ASP 47 -2.911 -15.739 4.438 318 2HB ASP 47 2HB ASP 47 -1.180 -18.062 4.240 319 H SER 48 H SER 48 -2.790 -15.187 6.515 320 HA SER 48 HA SER 48 -0.288 -15.569 7.976 321 2HB SER 48 2HB SER 48 -2.801 -14.302 9.063 322 HG SER 48 HG SER 48 -0.112 -13.627 9.595 323 H GLY 49 H GLY 49 -3.758 -16.158 8.597 324 1HA GLY 49 2HA GLY 49 -4.293 -18.572 9.065 325 2HA GLY 49 1HA GLY 49 -2.948 -18.508 10.193 326 H THR 50 H THR 50 -3.159 -16.675 11.858 327 HA THR 50 HA THR 50 -5.324 -17.174 13.504 328 HB THR 50 HB THR 50 -3.368 -16.173 14.446 329 HG1 THR 50 HG1 THR 50 -5.626 -15.475 15.155 330 1HG2 THR 50 1HG2 THR 50 -3.902 -13.585 13.025 331 2HG2 THR 50 2HG2 THR 50 -2.907 -14.838 12.282 332 3HG2 THR 50 3HG2 THR 50 -2.428 -14.130 13.825 333 H GLY 51 H GLY 51 -4.882 -14.564 11.147 334 1HA GLY 51 2HA GLY 51 -7.101 -14.087 9.984 335 2HA GLY 51 1HA GLY 51 -7.685 -13.765 11.610 336 H LYS 52 H LYS 52 -4.455 -12.883 10.665 337 HA LYS 52 HA LYS 52 -4.945 -10.137 11.313 338 2HB LYS 52 2HB LYS 52 -2.515 -9.939 10.388 339 2HG LYS 52 2HG LYS 52 -1.560 -11.069 12.410 340 2HD LYS 52 2HD LYS 52 -3.739 -9.036 12.501 341 2HE LYS 52 2HE LYS 52 -2.969 -10.676 14.738 342 1HZ LYS 52 1HZ LYS 52 -1.315 -8.765 14.907 343 2HZ LYS 52 2HZ LYS 52 -2.269 -9.088 16.266 344 3HZ LYS 52 3HZ LYS 52 -2.649 -7.785 15.255 345 H GLU 53 H GLU 53 -4.254 -8.356 9.828 346 HA GLU 53 HA GLU 53 -5.131 -8.933 7.074 347 2HB GLU 53 2HB GLU 53 -6.288 -6.920 6.977 348 2HG GLU 53 2HG GLU 53 -6.536 -7.435 9.923 349 H LEU 54 H LEU 54 -3.023 -9.304 6.325 350 HA LEU 54 HA LEU 54 -1.345 -6.886 6.185 351 2HB LEU 54 2HB LEU 54 0.096 -8.144 7.369 352 HG LEU 54 HG LEU 54 -1.536 -10.077 7.636 353 1HD1 LEU 54 1HD1 LEU 54 -0.490 -10.625 4.982 354 2HD1 LEU 54 2HD1 LEU 54 -1.911 -11.276 5.798 355 3HD1 LEU 54 3HD1 LEU 54 -0.327 -11.998 6.078 356 1HD2 LEU 54 1HD2 LEU 54 1.183 -9.832 8.161 357 2HD2 LEU 54 2HD2 LEU 54 1.004 -11.443 7.466 358 3HD2 LEU 54 3HD2 LEU 54 0.064 -10.984 8.887 359 H VAL 55 H VAL 55 0.033 -6.757 4.262 360 HA VAL 55 HA VAL 55 -0.756 -8.388 1.986 361 HB VAL 55 HB VAL 55 -0.951 -6.080 0.695 362 1HG1 VAL 55 1HG1 VAL 55 -2.769 -7.379 0.349 363 2HG1 VAL 55 2HG1 VAL 55 -2.935 -7.791 2.057 364 3HG1 VAL 55 3HG1 VAL 55 -3.518 -6.236 1.462 365 1HG2 VAL 55 1HG2 VAL 55 -0.551 -4.826 2.851 366 2HG2 VAL 55 2HG2 VAL 55 -1.970 -4.334 1.928 367 3HG2 VAL 55 3HG2 VAL 55 -2.157 -5.354 3.354 368 H LEU 56 H LEU 56 1.078 -8.970 1.047 369 HA LEU 56 HA LEU 56 3.547 -7.639 1.521 370 2HB LEU 56 2HB LEU 56 2.861 -9.742 -0.528 371 HG LEU 56 HG LEU 56 5.415 -8.507 0.120 372 1HD1 LEU 56 1HD1 LEU 56 5.640 -11.450 -0.088 373 2HD1 LEU 56 2HD1 LEU 56 5.193 -10.784 1.481 374 3HD1 LEU 56 3HD1 LEU 56 6.695 -10.282 0.707 375 1HD2 LEU 56 1HD2 LEU 56 4.048 -9.413 -2.104 376 2HD2 LEU 56 2HD2 LEU 56 5.359 -10.577 -1.914 377 3HD2 LEU 56 3HD2 LEU 56 5.720 -8.857 -2.059 378 H ALA 57 H ALA 57 4.900 -6.574 0.018 379 HA ALA 57 HA ALA 57 3.409 -5.056 -1.981 380 1HB ALA 57 1HB ALA 57 4.909 -3.971 -0.250 381 2HB ALA 57 2HB ALA 57 6.270 -4.613 -1.170 382 3HB ALA 57 3HB ALA 57 5.155 -3.473 -1.924 383 H LEU 58 H LEU 58 3.233 -6.205 -3.830 384 HA LEU 58 HA LEU 58 5.191 -7.971 -4.837 385 2HB LEU 58 2HB LEU 58 3.790 -8.294 -6.633 386 HG LEU 58 HG LEU 58 1.778 -6.979 -4.815 387 1HD1 LEU 58 1HD1 LEU 58 0.999 -7.628 -7.060 388 2HD1 LEU 58 2HD1 LEU 58 0.234 -8.567 -5.778 389 3HD1 LEU 58 3HD1 LEU 58 1.525 -9.282 -6.743 390 1HD2 LEU 58 1HD2 LEU 58 2.182 -9.871 -4.592 391 2HD2 LEU 58 2HD2 LEU 58 1.919 -8.659 -3.337 392 3HD2 LEU 58 3HD2 LEU 58 3.534 -8.902 -4.004 393 H TYR 59 H TYR 59 4.428 -4.592 -5.567 394 HA TYR 59 HA TYR 59 7.017 -4.402 -6.960 395 2HB TYR 59 2HB TYR 59 6.124 -3.056 -8.645 396 HD1 TYR 59 HD1 TYR 59 6.124 -5.997 -8.453 397 HD2 TYR 59 HD2 TYR 59 2.894 -3.285 -9.015 398 HE1 TYR 59 HE1 TYR 59 4.847 -7.762 -9.595 399 HE2 TYR 59 HE2 TYR 59 1.609 -5.043 -10.157 400 HH TYR 59 HH TYR 59 1.527 -7.204 -10.702 401 H ASP 60 H ASP 60 7.846 -2.125 -7.047 402 HA ASP 60 HA ASP 60 7.724 -0.994 -4.390 403 2HB ASP 60 2HB ASP 60 9.906 -1.057 -5.254 404 H TYR 61 H TYR 61 6.964 1.011 -3.816 405 HA TYR 61 HA TYR 61 5.807 2.740 -5.851 406 2HB TYR 61 2HB TYR 61 4.159 1.622 -3.573 407 HD1 TYR 61 HD1 TYR 61 3.920 4.186 -3.037 408 HD2 TYR 61 HD2 TYR 61 2.412 2.318 -6.549 409 HE1 TYR 61 HE1 TYR 61 2.333 6.040 -3.334 410 HE2 TYR 61 HE2 TYR 61 0.822 4.167 -6.857 411 HH TYR 61 HH TYR 61 -0.021 6.270 -4.544 412 H GLN 62 H GLN 62 5.258 4.860 -5.046 413 HA GLN 62 HA GLN 62 6.275 5.514 -2.383 414 2HB GLN 62 2HB GLN 62 7.369 6.483 -4.984 415 2HG GLN 62 2HG GLN 62 6.523 8.522 -3.838 416 1HE2 GLN 62 1HE2 GLN 62 5.667 8.318 -1.772 417 2HE2 GLN 62 2HE2 GLN 62 6.632 8.514 -0.353 418 H GLU 63 H GLU 63 4.763 6.635 -1.365 419 HA GLU 63 HA GLU 63 2.983 8.363 -2.954 420 2HB GLU 63 2HB GLU 63 2.039 7.652 -0.280 421 2HG GLU 63 2HG GLU 63 -0.009 7.549 -1.238 422 H SER 64 H SER 64 2.759 10.464 -2.402 423 HA SER 64 HA SER 64 4.356 11.410 -0.116 424 2HB SER 64 2HB SER 64 3.488 13.230 -2.331 425 HG SER 64 HG SER 64 5.536 13.092 -0.426 426 H GLY 65 H GLY 65 2.985 11.599 1.563 427 1HA GLY 65 2HA GLY 65 1.390 12.662 2.856 428 2HA GLY 65 1HA GLY 65 0.971 13.645 1.460 429 H ASP 66 H ASP 66 0.124 10.961 3.394 430 HA ASP 66 HA ASP 66 -1.374 9.270 1.958 431 2HB ASP 66 2HB ASP 66 -2.339 10.629 4.484 432 H ASN 67 H ASN 67 -2.472 9.776 0.160 433 HA ASN 67 HA ASN 67 -4.591 11.812 0.390 434 2HB ASN 67 2HB ASN 67 -3.415 11.176 -2.278 435 1HD2 ASN 67 1HD2 ASN 67 -4.371 13.668 0.052 436 2HD2 ASN 67 2HD2 ASN 67 -5.192 14.667 -1.093 437 H ALA 68 H ALA 68 -6.485 11.447 -0.927 438 HA ALA 68 HA ALA 68 -7.246 8.669 -0.950 439 1HB ALA 68 1HB ALA 68 -9.366 9.919 -2.047 440 2HB ALA 68 2HB ALA 68 -9.084 9.804 -0.310 441 3HB ALA 68 3HB ALA 68 -8.619 11.263 -1.184 442 HA PRO 69 HA PRO 69 -6.316 7.821 -5.173 443 2HB PRO 69 2HB PRO 69 -6.488 5.601 -4.604 444 2HG PRO 69 2HG PRO 69 -8.023 4.887 -3.010 445 2HD PRO 69 2HD PRO 69 -7.026 6.615 -1.855 446 H SER 70 H SER 70 -7.147 9.684 -6.184 447 HA SER 70 HA SER 70 -9.972 9.600 -6.975 448 2HB SER 70 2HB SER 70 -7.982 11.876 -7.161 449 HG SER 70 HG SER 70 -9.458 12.691 -8.403 450 H TYR 71 H TYR 71 -7.059 8.621 -8.116 451 HA TYR 71 HA TYR 71 -7.969 8.842 -10.903 452 2HB TYR 71 2HB TYR 71 -6.237 10.436 -10.852 453 HD1 TYR 71 HD1 TYR 71 -4.729 11.622 -9.575 454 HD2 TYR 71 HD2 TYR 71 -4.771 7.378 -9.272 455 HE1 TYR 71 HE1 TYR 71 -3.008 11.736 -7.821 456 HE2 TYR 71 HE2 TYR 71 -3.053 7.480 -7.515 457 HH TYR 71 HH TYR 71 -1.124 9.381 -6.939 458 H SER 72 H SER 72 -6.643 7.278 -12.324 459 HA SER 72 HA SER 72 -7.035 4.657 -11.291 460 2HB SER 72 2HB SER 72 -7.414 4.875 -13.605 461 HG SER 72 HG SER 72 -6.418 6.456 -14.554 462 HA PRO 73 HA PRO 73 -3.117 3.708 -9.553 463 2HB PRO 73 2HB PRO 73 -4.037 1.710 -8.888 464 2HG PRO 73 2HG PRO 73 -5.556 0.579 -10.237 465 2HD PRO 73 2HD PRO 73 -6.498 2.684 -10.255 466 HA PRO 74 HA PRO 74 -0.092 3.998 -12.757 467 2HB PRO 74 2HB PRO 74 1.288 4.910 -11.161 468 2HG PRO 74 2HG PRO 74 1.200 4.194 -8.949 469 2HD PRO 74 2HD PRO 74 -1.039 4.579 -9.331 470 HA PRO 75 HA PRO 75 0.545 -0.056 -14.362 471 2HB PRO 75 2HB PRO 75 1.013 0.964 -16.367 472 2HG PRO 75 2HG PRO 75 2.139 2.998 -16.445 473 2HD PRO 75 2HD PRO 75 0.507 3.506 -14.897 474 HA PRO 76 HA PRO 76 3.645 -1.673 -11.582 475 2HB PRO 76 2HB PRO 76 2.135 -3.339 -11.113 476 2HG PRO 76 2HG PRO 76 0.601 -4.053 -12.709 477 2HD PRO 76 2HD PRO 76 0.268 -1.776 -12.829 478 HA PRO 77 HA PRO 77 7.186 -2.620 -14.010 479 2HB PRO 77 2HB PRO 77 8.349 -2.941 -12.054 480 2HG PRO 77 2HG PRO 77 7.363 -3.998 -10.232 481 2HD PRO 77 2HD PRO 77 5.732 -2.442 -10.719 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -7.052 21.028 8.497 2 1HA GLY 1 2HA GLY 1 -6.488 19.488 6.583 3 2HA GLY 1 1HA GLY 1 -5.503 20.818 5.989 4 H ALA 2 H ALA 2 -4.071 18.712 6.161 5 HA ALA 2 HA ALA 2 -2.285 19.201 8.370 6 1HB ALA 2 1HB ALA 2 -3.284 17.673 9.690 7 2HB ALA 2 2HB ALA 2 -4.066 16.855 8.336 8 3HB ALA 2 3HB ALA 2 -2.372 16.530 8.704 9 H MET 3 H MET 3 -0.434 19.397 7.291 10 HA MET 3 HA MET 3 0.117 17.559 5.066 11 2HB MET 3 2HB MET 3 2.094 19.589 5.222 12 2HG MET 3 2HG MET 3 -0.218 19.737 3.341 13 1HE MET 3 1HE MET 3 4.267 20.298 2.879 14 2HE MET 3 2HE MET 3 3.398 18.922 3.561 15 3HE MET 3 3HE MET 3 3.594 19.063 1.813 16 H GLY 4 H GLY 4 1.023 15.775 5.965 17 1HA GLY 4 2HA GLY 4 3.344 16.202 7.742 18 2HA GLY 4 1HA GLY 4 2.308 14.784 7.798 19 HA PRO 5 HA PRO 5 5.992 14.447 4.706 20 2HB PRO 5 2HB PRO 5 7.733 15.263 5.965 21 2HG PRO 5 2HG PRO 5 7.613 15.315 8.287 22 2HD PRO 5 2HD PRO 5 5.601 16.310 7.763 23 H ARG 6 H ARG 6 4.125 12.674 6.757 24 HA ARG 6 HA ARG 6 5.235 10.122 6.797 25 2HB ARG 6 2HB ARG 6 3.001 9.301 7.194 26 2HG ARG 6 2HG ARG 6 3.698 11.905 8.441 27 2HD ARG 6 2HD ARG 6 1.503 10.844 9.847 28 HE ARG 6 HE ARG 6 0.983 13.242 8.386 29 1HH1 ARG 6 2HH1 ARG 6 2.864 11.876 10.977 30 2HH1 ARG 6 1HH1 ARG 6 3.063 13.385 11.804 31 1HH2 ARG 6 2HH2 ARG 6 1.238 15.236 9.464 32 2HH2 ARG 6 1HH2 ARG 6 2.137 15.296 10.943 33 H GLU 7 H GLU 7 6.159 9.376 4.951 34 HA GLU 7 HA GLU 7 4.454 9.207 2.555 35 2HB GLU 7 2HB GLU 7 6.566 8.945 1.285 36 2HG GLU 7 2HG GLU 7 5.640 11.318 2.462 37 H VAL 8 H VAL 8 3.717 7.271 2.012 38 HA VAL 8 HA VAL 8 4.938 4.899 3.235 39 HB VAL 8 HB VAL 8 2.602 5.040 3.706 40 1HG1 VAL 8 1HG1 VAL 8 2.182 5.349 0.734 41 2HG1 VAL 8 2HG1 VAL 8 0.901 5.172 1.936 42 3HG1 VAL 8 3HG1 VAL 8 1.946 6.594 1.961 43 1HG2 VAL 8 1HG2 VAL 8 2.392 2.850 3.402 44 2HG2 VAL 8 2HG2 VAL 8 2.102 3.083 1.678 45 3HG2 VAL 8 3HG2 VAL 8 3.750 2.900 2.277 46 H THR 9 H THR 9 6.258 3.717 2.036 47 HA THR 9 HA THR 9 5.773 3.560 -0.867 48 HB THR 9 HB THR 9 8.129 3.549 -1.318 49 HG1 THR 9 HG1 THR 9 8.985 2.505 0.449 50 1HG2 THR 9 1HG2 THR 9 8.160 5.776 0.609 51 2HG2 THR 9 2HG2 THR 9 6.789 5.756 -0.500 52 3HG2 THR 9 3HG2 THR 9 8.435 5.779 -1.132 53 H MET 10 H MET 10 5.186 1.561 -1.375 54 HA MET 10 HA MET 10 5.814 -0.677 0.324 55 2HB MET 10 2HB MET 10 4.351 -1.936 -1.027 56 2HG MET 10 2HG MET 10 3.426 0.921 -1.064 57 1HE MET 10 1HE MET 10 1.395 0.001 -4.187 58 2HE MET 10 2HE MET 10 2.234 1.285 -3.317 59 3HE MET 10 3HE MET 10 3.118 -0.150 -3.840 60 H LYS 11 H LYS 11 7.787 -1.532 0.273 61 HA LYS 11 HA LYS 11 9.338 -1.518 -2.191 62 2HB LYS 11 2HB LYS 11 10.070 -2.432 0.597 63 2HG LYS 11 2HG LYS 11 11.410 -3.377 -1.391 64 2HD LYS 11 2HD LYS 11 13.048 -0.943 -1.302 65 2HE LYS 11 2HE LYS 11 12.088 -2.760 -3.511 66 1HZ LYS 11 1HZ LYS 11 13.566 -0.293 -3.565 67 2HZ LYS 11 2HZ LYS 11 12.806 -1.125 -4.825 68 3HZ LYS 11 3HZ LYS 11 14.365 -1.567 -4.341 69 H LYS 12 H LYS 12 9.628 -3.231 -3.470 70 HA LYS 12 HA LYS 12 8.079 -5.460 -3.504 71 2HB LYS 12 2HB LYS 12 10.945 -5.726 -4.338 72 2HG LYS 12 2HG LYS 12 8.336 -6.773 -5.235 73 2HD LYS 12 2HD LYS 12 10.338 -5.609 -7.065 74 2HE LYS 12 2HE LYS 12 10.433 -8.256 -7.096 75 1HZ LYS 12 1HZ LYS 12 7.865 -8.121 -7.544 76 2HZ LYS 12 2HZ LYS 12 8.823 -9.300 -8.288 77 3HZ LYS 12 3HZ LYS 12 8.373 -7.912 -9.145 78 H GLY 13 H GLY 13 7.724 -6.904 -1.949 79 1HA GLY 13 2HA GLY 13 8.374 -8.841 -0.752 80 2HA GLY 13 1HA GLY 13 10.031 -8.257 -0.755 81 H ASP 14 H ASP 14 7.848 -5.816 0.035 82 HA ASP 14 HA ASP 14 8.549 -6.092 2.876 83 2HB ASP 14 2HB ASP 14 7.382 -3.564 1.827 84 H ILE 15 H ILE 15 6.996 -5.883 4.486 85 HA ILE 15 HA ILE 15 4.255 -6.415 3.593 86 HB ILE 15 HB ILE 15 5.416 -6.752 6.360 87 2HG1 ILE 15 2HG1 ILE 15 6.356 -8.203 4.424 88 1HG2 ILE 15 1HG2 ILE 15 3.112 -8.363 5.660 89 2HG2 ILE 15 2HG2 ILE 15 3.373 -7.309 7.049 90 3HG2 ILE 15 3HG2 ILE 15 2.776 -6.636 5.532 91 1HD1 ILE 15 1HD1 ILE 15 5.118 -9.651 6.751 92 2HD1 ILE 15 2HD1 ILE 15 6.474 -10.191 5.761 93 3HD1 ILE 15 3HD1 ILE 15 6.650 -8.779 6.803 94 H LEU 16 H LEU 16 2.523 -5.194 4.237 95 HA LEU 16 HA LEU 16 2.975 -2.932 6.027 96 2HB LEU 16 2HB LEU 16 2.434 -1.281 4.549 97 HG LEU 16 HG LEU 16 4.358 -2.900 3.504 98 1HD1 LEU 16 1HD1 LEU 16 3.339 -4.096 1.880 99 2HD1 LEU 16 2HD1 LEU 16 3.602 -2.620 0.954 100 3HD1 LEU 16 3HD1 LEU 16 2.029 -2.930 1.687 101 1HD2 LEU 16 1HD2 LEU 16 3.373 -0.201 3.124 102 2HD2 LEU 16 2HD2 LEU 16 4.156 -0.832 1.675 103 3HD2 LEU 16 3HD2 LEU 16 5.031 -0.799 3.206 104 H THR 17 H THR 17 1.335 -2.686 7.398 105 HA THR 17 HA THR 17 -0.738 -4.382 7.761 106 HB THR 17 HB THR 17 -0.763 -1.411 8.316 107 HG1 THR 17 HG1 THR 17 -0.414 -3.393 10.272 108 1HG2 THR 17 1HG2 THR 17 -3.038 -2.441 8.298 109 2HG2 THR 17 2HG2 THR 17 -2.549 -1.818 9.874 110 3HG2 THR 17 3HG2 THR 17 -2.493 -3.551 9.555 111 H LEU 18 H LEU 18 -2.503 -4.942 6.677 112 HA LEU 18 HA LEU 18 -3.249 -3.688 4.250 113 2HB LEU 18 2HB LEU 18 -4.951 -5.568 5.867 114 HG LEU 18 HG LEU 18 -5.210 -6.513 3.396 115 1HD1 LEU 18 1HD1 LEU 18 -6.943 -5.679 5.065 116 2HD1 LEU 18 2HD1 LEU 18 -7.354 -5.566 3.355 117 3HD1 LEU 18 3HD1 LEU 18 -6.832 -4.128 4.232 118 1HD2 LEU 18 1HD2 LEU 18 -3.775 -4.836 2.369 119 2HD2 LEU 18 2HD2 LEU 18 -4.803 -3.550 3.001 120 3HD2 LEU 18 3HD2 LEU 18 -5.435 -4.674 1.797 121 H LEU 19 H LEU 19 -3.435 -1.486 5.246 122 HA LEU 19 HA LEU 19 -5.474 -0.749 6.997 123 2HB LEU 19 2HB LEU 19 -5.283 1.443 5.439 124 HG LEU 19 HG LEU 19 -4.607 1.602 7.725 125 1HD1 LEU 19 1HD1 LEU 19 -2.282 0.751 8.345 126 2HD1 LEU 19 2HD1 LEU 19 -2.397 -0.251 6.900 127 3HD1 LEU 19 3HD1 LEU 19 -3.573 -0.441 8.199 128 1HD2 LEU 19 1HD2 LEU 19 -2.123 2.251 6.170 129 2HD2 LEU 19 2HD2 LEU 19 -2.829 3.114 7.536 130 3HD2 LEU 19 3HD2 LEU 19 -3.618 3.162 5.959 131 H ASN 20 H ASN 20 -7.168 1.012 6.031 132 HA ASN 20 HA ASN 20 -9.321 -0.334 5.078 133 2HB ASN 20 2HB ASN 20 -9.383 2.255 3.860 134 1HD2 ASN 20 1HD2 ASN 20 -11.522 1.612 3.706 135 2HD2 ASN 20 2HD2 ASN 20 -12.583 1.602 5.071 136 H SER 21 H SER 21 -9.301 -1.702 3.402 137 HA SER 21 HA SER 21 -7.995 -0.902 0.908 138 2HB SER 21 2HB SER 21 -7.332 -3.081 1.560 139 HG SER 21 HG SER 21 -9.363 -4.604 1.727 140 H THR 22 H THR 22 -10.660 0.067 1.972 141 HA THR 22 HA THR 22 -12.829 -0.949 0.615 142 HB THR 22 HB THR 22 -13.163 0.795 2.226 143 HG1 THR 22 HG1 THR 22 -14.843 1.116 0.960 144 1HG2 THR 22 1HG2 THR 22 -12.238 2.908 2.168 145 2HG2 THR 22 2HG2 THR 22 -12.024 2.883 0.419 146 3HG2 THR 22 3HG2 THR 22 -10.941 1.954 1.453 147 H ASN 23 H ASN 23 -10.411 1.364 -0.553 148 HA ASN 23 HA ASN 23 -11.641 1.821 -3.065 149 2HB ASN 23 2HB ASN 23 -8.956 2.306 -3.475 150 1HD2 ASN 23 1HD2 ASN 23 -9.783 3.782 -4.859 151 2HD2 ASN 23 2HD2 ASN 23 -10.564 5.240 -4.362 152 H LYS 24 H LYS 24 -12.008 0.233 -4.470 153 HA LYS 24 HA LYS 24 -10.572 -2.186 -4.600 154 2HB LYS 24 2HB LYS 24 -12.943 -1.586 -5.481 155 2HG LYS 24 2HG LYS 24 -11.291 -1.015 -7.934 156 2HD LYS 24 2HD LYS 24 -13.964 -0.500 -8.459 157 2HE LYS 24 2HE LYS 24 -12.211 -2.847 -9.164 158 1HZ LYS 24 1HZ LYS 24 -14.758 -2.022 -10.448 159 2HZ LYS 24 2HZ LYS 24 -14.554 -3.405 -9.498 160 3HZ LYS 24 3HZ LYS 24 -13.733 -3.263 -10.970 161 H ASP 25 H ASP 25 -10.117 0.901 -6.142 162 HA ASP 25 HA ASP 25 -8.111 -0.177 -7.966 163 2HB ASP 25 2HB ASP 25 -8.061 2.044 -8.950 164 H TRP 26 H TRP 26 -8.215 0.841 -4.827 165 HA TRP 26 HA TRP 26 -5.346 1.120 -4.710 166 2HB TRP 26 2HB TRP 26 -5.483 3.289 -3.435 167 HD1 TRP 26 HD1 TRP 26 -7.541 3.601 -6.694 168 HE1 TRP 26 HE1 TRP 26 -6.072 4.767 -8.456 169 HE3 TRP 26 HE3 TRP 26 -3.178 3.893 -4.047 170 HZ2 TRP 26 HZ2 TRP 26 -3.415 5.689 -8.693 171 HZ3 TRP 26 HZ3 TRP 26 -1.219 4.931 -5.114 172 HH2 TRP 26 HH2 TRP 26 -1.336 5.810 -7.390 173 H TRP 27 H TRP 27 -4.697 -0.005 -3.006 174 HA TRP 27 HA TRP 27 -6.595 -0.449 -0.809 175 2HB TRP 27 2HB TRP 27 -4.630 -2.231 -0.313 176 HD1 TRP 27 HD1 TRP 27 -7.852 -1.596 -2.141 177 HE1 TRP 27 HE1 TRP 27 -9.246 -3.759 -2.210 178 HE3 TRP 27 HE3 TRP 27 -4.319 -4.891 -0.470 179 HZ2 TRP 27 HZ2 TRP 27 -8.893 -6.500 -1.632 180 HZ3 TRP 27 HZ3 TRP 27 -4.928 -7.265 -0.255 181 HH2 TRP 27 HH2 TRP 27 -7.168 -8.051 -0.824 182 H LYS 28 H LYS 28 -6.318 0.979 0.783 183 HA LYS 28 HA LYS 28 -4.003 2.444 1.315 184 2HB LYS 28 2HB LYS 28 -5.945 1.748 3.493 185 2HG LYS 28 2HG LYS 28 -4.986 4.474 2.707 186 2HD LYS 28 2HD LYS 28 -5.524 3.532 5.482 187 2HE LYS 28 2HE LYS 28 -5.245 6.038 4.039 188 1HZ LYS 28 1HZ LYS 28 -7.593 5.664 5.807 189 2HZ LYS 28 2HZ LYS 28 -7.576 6.263 4.227 190 3HZ LYS 28 3HZ LYS 28 -6.913 7.179 5.485 191 H VAL 29 H VAL 29 -2.216 2.098 2.511 192 HA VAL 29 HA VAL 29 -2.097 -0.194 4.316 193 HB VAL 29 HB VAL 29 -0.065 -1.081 3.368 194 1HG1 VAL 29 1HG1 VAL 29 -2.460 -1.556 2.386 195 2HG1 VAL 29 2HG1 VAL 29 -1.770 -0.809 0.944 196 3HG1 VAL 29 3HG1 VAL 29 -1.017 -2.244 1.641 197 1HG2 VAL 29 1HG2 VAL 29 0.992 0.888 2.527 198 2HG2 VAL 29 2HG2 VAL 29 0.765 -0.213 1.169 199 3HG2 VAL 29 3HG2 VAL 29 -0.314 1.166 1.375 200 H GLU 30 H GLU 30 -0.757 0.103 6.034 201 HA GLU 30 HA GLU 30 0.549 2.722 6.218 202 2HB GLU 30 2HB GLU 30 -0.288 0.754 8.352 203 2HG GLU 30 2HG GLU 30 0.878 3.500 8.737 204 H VAL 31 H VAL 31 2.625 2.856 7.342 205 HA VAL 31 HA VAL 31 4.244 0.413 7.192 206 HB VAL 31 HB VAL 31 4.964 3.056 5.923 207 1HG1 VAL 31 1HG1 VAL 31 7.020 1.487 5.258 208 2HG1 VAL 31 2HG1 VAL 31 7.027 2.512 6.695 209 3HG1 VAL 31 3HG1 VAL 31 6.643 0.796 6.837 210 1HG2 VAL 31 1HG2 VAL 31 5.400 0.908 4.178 211 2HG2 VAL 31 2HG2 VAL 31 3.836 0.603 4.932 212 3HG2 VAL 31 3HG2 VAL 31 4.125 2.123 4.086 213 H ASN 32 H ASN 32 3.713 0.774 9.565 214 HA ASN 32 HA ASN 32 4.580 1.135 11.645 215 2HB ASN 32 2HB ASN 32 6.843 1.820 11.920 216 1HD2 ASN 32 1HD2 ASN 32 7.213 1.467 8.518 217 2HD2 ASN 32 2HD2 ASN 32 7.675 -0.197 8.522 218 H ASP 33 H ASP 33 5.625 4.040 9.862 219 HA ASP 33 HA ASP 33 3.830 5.627 11.575 220 2HB ASP 33 2HB ASP 33 6.016 7.253 10.786 221 H ARG 34 H ARG 34 5.065 4.952 8.443 222 HA ARG 34 HA ARG 34 3.711 7.301 7.314 223 2HB ARG 34 2HB ARG 34 5.494 7.421 5.979 224 2HG ARG 34 2HG ARG 34 6.329 4.734 7.044 225 2HD ARG 34 2HD ARG 34 7.787 6.730 5.322 226 HE ARG 34 HE ARG 34 9.013 5.284 7.267 227 1HH1 ARG 34 2HH1 ARG 34 9.057 5.196 3.788 228 2HH1 ARG 34 1HH1 ARG 34 10.685 4.613 3.692 229 1HH2 ARG 34 2HH2 ARG 34 11.158 4.517 7.157 230 2HH2 ARG 34 1HH2 ARG 34 11.879 4.226 5.609 231 H GLN 35 H GLN 35 1.808 7.070 6.346 232 HA GLN 35 HA GLN 35 1.065 4.425 5.297 233 2HB GLN 35 2HB GLN 35 -0.629 4.252 6.733 234 2HG GLN 35 2HG GLN 35 0.084 6.982 7.780 235 1HE2 GLN 35 1HE2 GLN 35 0.012 5.150 10.314 236 2HE2 GLN 35 2HE2 GLN 35 -1.649 5.235 10.782 237 H GLY 36 H GLY 36 -1.358 4.974 4.215 238 1HA GLY 36 2HA GLY 36 -2.156 7.078 2.893 239 2HA GLY 36 1HA GLY 36 -0.622 6.835 2.069 240 H PHE 37 H PHE 37 -2.564 6.794 0.386 241 HA PHE 37 HA PHE 37 -3.685 4.123 0.114 242 2HB PHE 37 2HB PHE 37 -4.753 5.158 -1.958 243 HD1 PHE 37 HD1 PHE 37 -4.920 7.847 0.497 244 HD2 PHE 37 HD2 PHE 37 -6.555 4.109 -0.716 245 HE1 PHE 37 HE1 PHE 37 -6.862 8.225 1.959 246 HE2 PHE 37 HE2 PHE 37 -8.500 4.482 0.743 247 HZ PHE 37 HZ PHE 37 -8.656 6.542 2.084 248 H VAL 38 H VAL 38 -3.123 2.650 -1.422 249 HA VAL 38 HA VAL 38 -1.097 3.386 -3.406 250 HB VAL 38 HB VAL 38 0.034 1.133 -2.878 251 1HG1 VAL 38 1HG1 VAL 38 1.415 2.901 -2.472 252 2HG1 VAL 38 2HG1 VAL 38 0.265 3.695 -1.394 253 3HG1 VAL 38 3HG1 VAL 38 1.206 2.319 -0.821 254 1HG2 VAL 38 1HG2 VAL 38 -1.439 1.617 -0.292 255 2HG2 VAL 38 2HG2 VAL 38 -1.615 0.231 -1.367 256 3HG2 VAL 38 3HG2 VAL 38 -0.105 0.480 -0.491 257 HA PRO 39 HA PRO 39 -3.404 0.846 -6.144 258 2HB PRO 39 2HB PRO 39 -2.001 1.570 -7.814 259 2HG PRO 39 2HG PRO 39 0.266 1.897 -7.418 260 2HD PRO 39 2HD PRO 39 -0.621 3.076 -5.647 261 H ALA 40 H ALA 40 -4.320 -1.014 -5.561 262 HA ALA 40 HA ALA 40 -3.185 -3.026 -4.029 263 1HB ALA 40 1HB ALA 40 -5.172 -4.101 -4.223 264 2HB ALA 40 2HB ALA 40 -5.673 -2.529 -4.849 265 3HB ALA 40 3HB ALA 40 -5.274 -3.837 -5.963 266 H ALA 41 H ALA 41 -2.988 -2.469 -7.452 267 HA ALA 41 HA ALA 41 -2.263 -5.050 -8.303 268 1HB ALA 41 1HB ALA 41 -2.512 -2.479 -9.463 269 2HB ALA 41 2HB ALA 41 -0.920 -3.109 -9.890 270 3HB ALA 41 3HB ALA 41 -2.368 -4.040 -10.273 271 H TYR 42 H TYR 42 -0.551 -2.689 -6.504 272 HA TYR 42 HA TYR 42 2.050 -3.863 -7.129 273 2HB TYR 42 2HB TYR 42 2.855 -2.027 -5.534 274 HD1 TYR 42 HD1 TYR 42 0.424 -1.719 -8.352 275 HD2 TYR 42 HD2 TYR 42 4.175 -0.543 -6.724 276 HE1 TYR 42 HE1 TYR 42 0.927 -0.484 -10.419 277 HE2 TYR 42 HE2 TYR 42 4.687 0.697 -8.786 278 HH TYR 42 HH TYR 42 3.719 0.354 -11.426 279 H VAL 43 H VAL 43 -0.455 -4.303 -4.955 280 HA VAL 43 HA VAL 43 1.338 -5.713 -3.095 281 HB VAL 43 HB VAL 43 -0.260 -5.160 -1.256 282 1HG1 VAL 43 1HG1 VAL 43 0.463 -2.688 -1.154 283 2HG1 VAL 43 2HG1 VAL 43 1.715 -3.930 -1.194 284 3HG1 VAL 43 3HG1 VAL 43 1.316 -3.031 -2.658 285 1HG2 VAL 43 1HG2 VAL 43 -1.946 -4.375 -3.229 286 2HG2 VAL 43 2HG2 VAL 43 -2.099 -3.892 -1.539 287 3HG2 VAL 43 3HG2 VAL 43 -1.307 -2.821 -2.694 288 H LYS 44 H LYS 44 -0.143 -7.172 -1.602 289 HA LYS 44 HA LYS 44 -2.505 -8.253 -2.743 290 2HB LYS 44 2HB LYS 44 0.082 -9.737 -3.196 291 2HG LYS 44 2HG LYS 44 -2.203 -11.130 -4.211 292 2HD LYS 44 2HD LYS 44 -1.190 -13.004 -2.985 293 2HE LYS 44 2HE LYS 44 1.284 -12.461 -3.874 294 1HZ LYS 44 1HZ LYS 44 0.108 -12.871 -6.213 295 2HZ LYS 44 2HZ LYS 44 -1.160 -13.323 -5.190 296 3HZ LYS 44 3HZ LYS 44 0.338 -14.100 -5.072 297 H LYS 45 H LYS 45 -3.566 -9.568 -1.318 298 HA LYS 45 HA LYS 45 -2.813 -9.509 1.382 299 2HB LYS 45 2HB LYS 45 -4.602 -11.631 1.144 300 2HG LYS 45 2HG LYS 45 -5.565 -8.800 1.207 301 2HD LYS 45 2HD LYS 45 -6.691 -10.201 3.272 302 2HE LYS 45 2HE LYS 45 -7.515 -9.507 0.505 303 1HZ LYS 45 1HZ LYS 45 -8.464 -11.800 1.247 304 2HZ LYS 45 2HZ LYS 45 -9.480 -10.648 0.540 305 3HZ LYS 45 3HZ LYS 45 -9.478 -10.856 2.219 306 H LEU 46 H LEU 46 -2.130 -11.157 2.795 307 HA LEU 46 HA LEU 46 -0.728 -13.381 1.465 308 2HB LEU 46 2HB LEU 46 0.885 -13.320 3.295 309 HG LEU 46 HG LEU 46 0.552 -10.594 2.045 310 1HD1 LEU 46 1HD1 LEU 46 2.173 -11.335 4.213 311 2HD1 LEU 46 2HD1 LEU 46 2.250 -9.854 3.260 312 3HD1 LEU 46 3HD1 LEU 46 3.234 -11.245 2.807 313 1HD2 LEU 46 1HD2 LEU 46 2.722 -12.421 1.253 314 2HD2 LEU 46 2HD2 LEU 46 1.721 -11.349 0.273 315 3HD2 LEU 46 3HD2 LEU 46 1.095 -12.917 0.786 316 H ASP 47 H ASP 47 -0.172 -15.118 3.284 317 HA ASP 47 HA ASP 47 -2.737 -15.764 4.579 318 2HB ASP 47 2HB ASP 47 -0.741 -17.395 3.114 319 H SER 48 H SER 48 -2.546 -15.064 6.632 320 HA SER 48 HA SER 48 -0.069 -15.500 8.100 321 2HB SER 48 2HB SER 48 -2.588 -14.245 9.186 322 HG SER 48 HG SER 48 -0.412 -13.045 10.001 323 H GLY 49 H GLY 49 -3.528 -16.281 8.464 324 1HA GLY 49 2HA GLY 49 -4.144 -18.571 9.021 325 2HA GLY 49 1HA GLY 49 -2.708 -18.644 10.032 326 H THR 50 H THR 50 -2.723 -16.714 11.716 327 HA THR 50 HA THR 50 -4.758 -17.276 13.549 328 HB THR 50 HB THR 50 -2.709 -16.435 14.411 329 HG1 THR 50 HG1 THR 50 -4.478 -14.234 14.701 330 1HG2 THR 50 1HG2 THR 50 -2.856 -14.648 12.191 331 2HG2 THR 50 2HG2 THR 50 -1.498 -14.952 13.274 332 3HG2 THR 50 3HG2 THR 50 -2.678 -13.703 13.668 333 H GLY 51 H GLY 51 -4.606 -14.986 10.954 334 1HA GLY 51 2HA GLY 51 -6.734 -14.165 10.095 335 2HA GLY 51 1HA GLY 51 -7.264 -13.983 11.761 336 H LYS 52 H LYS 52 -4.244 -12.993 10.173 337 HA LYS 52 HA LYS 52 -4.627 -10.306 11.258 338 2HB LYS 52 2HB LYS 52 -2.237 -9.997 10.460 339 2HG LYS 52 2HG LYS 52 -1.244 -11.607 12.157 340 2HD LYS 52 2HD LYS 52 -2.506 -10.452 14.081 341 2HE LYS 52 2HE LYS 52 -1.675 -8.121 13.071 342 1HZ LYS 52 1HZ LYS 52 -0.645 -9.427 14.891 343 2HZ LYS 52 2HZ LYS 52 0.479 -8.628 13.911 344 3HZ LYS 52 3HZ LYS 52 0.235 -10.292 13.734 345 H GLU 53 H GLU 53 -4.112 -8.433 9.896 346 HA GLU 53 HA GLU 53 -5.012 -8.869 7.125 347 2HB GLU 53 2HB GLU 53 -6.116 -6.815 7.165 348 2HG GLU 53 2HG GLU 53 -7.345 -6.614 9.316 349 H LEU 54 H LEU 54 -2.885 -9.268 6.370 350 HA LEU 54 HA LEU 54 -1.216 -6.844 6.219 351 2HB LEU 54 2HB LEU 54 0.269 -8.087 7.352 352 HG LEU 54 HG LEU 54 -1.286 -9.970 7.829 353 1HD1 LEU 54 1HD1 LEU 54 -0.358 -11.883 5.998 354 2HD1 LEU 54 2HD1 LEU 54 -0.852 -10.485 5.045 355 3HD1 LEU 54 3HD1 LEU 54 -1.994 -11.240 6.157 356 1HD2 LEU 54 1HD2 LEU 54 1.626 -10.201 7.428 357 2HD2 LEU 54 2HD2 LEU 54 0.755 -11.717 7.652 358 3HD2 LEU 54 3HD2 LEU 54 0.653 -10.452 8.877 359 H VAL 55 H VAL 55 0.063 -6.625 4.272 360 HA VAL 55 HA VAL 55 -0.795 -8.246 1.993 361 HB VAL 55 HB VAL 55 -0.837 -5.884 0.754 362 1HG1 VAL 55 1HG1 VAL 55 -2.597 -7.620 0.760 363 2HG1 VAL 55 2HG1 VAL 55 -3.203 -6.965 2.283 364 3HG1 VAL 55 3HG1 VAL 55 -3.248 -5.983 0.818 365 1HG2 VAL 55 1HG2 VAL 55 -1.927 -5.240 3.492 366 2HG2 VAL 55 2HG2 VAL 55 -0.393 -4.647 2.853 367 3HG2 VAL 55 3HG2 VAL 55 -1.910 -4.178 2.083 368 H LEU 56 H LEU 56 0.984 -8.932 1.018 369 HA LEU 56 HA LEU 56 3.533 -7.724 1.457 370 2HB LEU 56 2HB LEU 56 2.773 -9.822 -0.568 371 HG LEU 56 HG LEU 56 5.068 -10.704 -0.192 372 1HD1 LEU 56 1HD1 LEU 56 5.677 -9.638 -2.044 373 2HD1 LEU 56 2HD1 LEU 56 5.725 -8.080 -1.220 374 3HD1 LEU 56 3HD1 LEU 56 4.203 -8.682 -1.876 375 1HD2 LEU 56 1HD2 LEU 56 5.151 -9.051 1.949 376 2HD2 LEU 56 2HD2 LEU 56 6.038 -8.096 0.760 377 3HD2 LEU 56 3HD2 LEU 56 6.576 -9.729 1.161 378 H ALA 57 H ALA 57 4.886 -6.700 -0.041 379 HA ALA 57 HA ALA 57 3.448 -5.234 -2.116 380 1HB ALA 57 1HB ALA 57 4.787 -3.944 -0.546 381 2HB ALA 57 2HB ALA 57 6.230 -4.840 -1.020 382 3HB ALA 57 3HB ALA 57 5.422 -3.790 -2.184 383 H LEU 58 H LEU 58 3.370 -6.171 -4.051 384 HA LEU 58 HA LEU 58 5.376 -8.036 -4.930 385 2HB LEU 58 2HB LEU 58 4.006 -8.413 -6.807 386 HG LEU 58 HG LEU 58 2.181 -7.730 -4.509 387 1HD1 LEU 58 1HD1 LEU 58 0.506 -9.113 -5.726 388 2HD1 LEU 58 2HD1 LEU 58 1.552 -9.047 -7.143 389 3HD1 LEU 58 3HD1 LEU 58 0.855 -7.564 -6.492 390 1HD2 LEU 58 1HD2 LEU 58 3.707 -9.549 -4.059 391 2HD2 LEU 58 2HD2 LEU 58 3.272 -10.331 -5.579 392 3HD2 LEU 58 3HD2 LEU 58 2.078 -10.183 -4.288 393 H TYR 59 H TYR 59 4.487 -4.706 -5.638 394 HA TYR 59 HA TYR 59 6.911 -4.487 -7.299 395 2HB TYR 59 2HB TYR 59 5.840 -2.957 -8.740 396 HD1 TYR 59 HD1 TYR 59 2.692 -3.203 -9.045 397 HD2 TYR 59 HD2 TYR 59 5.872 -5.994 -8.592 398 HE1 TYR 59 HE1 TYR 59 1.358 -4.903 -10.218 399 HE2 TYR 59 HE2 TYR 59 4.546 -7.702 -9.766 400 HH TYR 59 HH TYR 59 1.293 -6.978 -10.998 401 H ASP 60 H ASP 60 7.543 -2.044 -7.479 402 HA ASP 60 HA ASP 60 7.805 -1.080 -4.730 403 2HB ASP 60 2HB ASP 60 9.701 -1.408 -6.622 404 H TYR 61 H TYR 61 6.770 0.664 -4.013 405 HA TYR 61 HA TYR 61 5.704 2.583 -5.970 406 2HB TYR 61 2HB TYR 61 4.203 1.538 -3.559 407 HD1 TYR 61 HD1 TYR 61 3.790 3.921 -2.871 408 HD2 TYR 61 HD2 TYR 61 2.539 2.391 -6.640 409 HE1 TYR 61 HE1 TYR 61 2.229 5.806 -3.112 410 HE2 TYR 61 HE2 TYR 61 0.976 4.272 -6.891 411 HH TYR 61 HH TYR 61 1.009 6.989 -4.742 412 H GLN 62 H GLN 62 5.004 4.653 -4.882 413 HA GLN 62 HA GLN 62 6.370 5.261 -2.391 414 2HB GLN 62 2HB GLN 62 7.201 6.339 -5.056 415 2HG GLN 62 2HG GLN 62 6.560 8.300 -3.649 416 1HE2 GLN 62 1HE2 GLN 62 6.004 7.855 -1.496 417 2HE2 GLN 62 2HE2 GLN 62 7.168 7.960 -0.224 418 H GLU 63 H GLU 63 4.992 6.395 -1.211 419 HA GLU 63 HA GLU 63 3.098 8.183 -2.592 420 2HB GLU 63 2HB GLU 63 2.453 7.236 0.140 421 2HG GLU 63 2HG GLU 63 0.262 7.352 -0.520 422 H SER 64 H SER 64 3.067 10.272 -2.026 423 HA SER 64 HA SER 64 4.789 11.095 0.213 424 2HB SER 64 2HB SER 64 4.789 13.338 -0.975 425 HG SER 64 HG SER 64 5.772 11.172 -2.522 426 H GLY 65 H GLY 65 3.362 11.055 1.913 427 1HA GLY 65 2HA GLY 65 1.854 12.053 3.348 428 2HA GLY 65 1HA GLY 65 1.571 13.282 2.124 429 H ASP 66 H ASP 66 0.104 10.935 3.851 430 HA ASP 66 HA ASP 66 -1.426 9.329 2.354 431 2HB ASP 66 2HB ASP 66 -1.958 9.261 4.610 432 H ASN 67 H ASN 67 -2.137 9.771 0.356 433 HA ASN 67 HA ASN 67 -3.881 12.122 0.021 434 2HB ASN 67 2HB ASN 67 -3.135 12.142 -2.377 435 1HD2 ASN 67 1HD2 ASN 67 -3.047 13.850 -0.298 436 2HD2 ASN 67 2HD2 ASN 67 -1.486 14.583 -0.181 437 H ALA 68 H ALA 68 -5.784 11.846 -1.082 438 HA ALA 68 HA ALA 68 -6.884 9.226 -1.142 439 1HB ALA 68 1HB ALA 68 -7.848 11.949 -1.859 440 2HB ALA 68 2HB ALA 68 -8.751 10.549 -2.443 441 3HB ALA 68 3HB ALA 68 -8.506 10.781 -0.712 442 HA PRO 69 HA PRO 69 -5.696 7.910 -5.176 443 2HB PRO 69 2HB PRO 69 -6.252 5.792 -4.479 444 2HG PRO 69 2HG PRO 69 -8.023 5.438 -3.013 445 2HD PRO 69 2HD PRO 69 -6.892 7.095 -1.878 446 H SER 70 H SER 70 -9.063 7.187 -5.579 447 HA SER 70 HA SER 70 -10.718 8.089 -6.875 448 2HB SER 70 2HB SER 70 -9.069 10.508 -7.518 449 HG SER 70 HG SER 70 -11.765 9.835 -7.242 450 H TYR 71 H TYR 71 -7.547 9.025 -8.217 451 HA TYR 71 HA TYR 71 -8.381 8.445 -10.902 452 2HB TYR 71 2HB TYR 71 -6.793 10.187 -10.692 453 HD1 TYR 71 HD1 TYR 71 -6.120 11.141 -8.642 454 HD2 TYR 71 HD2 TYR 71 -4.435 7.440 -9.893 455 HE1 TYR 71 HE1 TYR 71 -4.463 11.290 -6.831 456 HE2 TYR 71 HE2 TYR 71 -2.774 7.578 -8.084 457 HH TYR 71 HH TYR 71 -3.039 9.509 -5.487 458 H SER 72 H SER 72 -6.855 7.027 -12.275 459 HA SER 72 HA SER 72 -7.036 4.364 -11.245 460 2HB SER 72 2HB SER 72 -7.450 4.856 -13.619 461 HG SER 72 HG SER 72 -5.500 5.231 -14.910 462 HA PRO 73 HA PRO 73 -3.027 3.865 -9.517 463 2HB PRO 73 2HB PRO 73 -3.780 1.855 -8.699 464 2HG PRO 73 2HG PRO 73 -5.246 0.533 -9.928 465 2HD PRO 73 2HD PRO 73 -6.340 2.557 -10.053 466 HA PRO 74 HA PRO 74 -0.031 4.090 -12.740 467 2HB PRO 74 2HB PRO 74 1.397 4.960 -11.164 468 2HG PRO 74 2HG PRO 74 1.359 4.207 -8.965 469 2HD PRO 74 2HD PRO 74 -0.887 4.619 -9.282 470 HA PRO 75 HA PRO 75 0.516 0.055 -14.429 471 2HB PRO 75 2HB PRO 75 0.921 1.104 -16.433 472 2HG PRO 75 2HG PRO 75 2.054 3.133 -16.519 473 2HD PRO 75 2HD PRO 75 0.481 3.625 -14.907 474 HA PRO 76 HA PRO 76 3.699 -1.628 -11.790 475 2HB PRO 76 2HB PRO 76 2.201 -3.302 -11.310 476 2HG PRO 76 2HG PRO 76 0.617 -3.979 -12.873 477 2HD PRO 76 2HD PRO 76 0.285 -1.699 -12.933 478 HA PRO 77 HA PRO 77 7.162 -2.529 -14.345 479 2HB PRO 77 2HB PRO 77 8.383 -2.894 -12.433 480 2HG PRO 77 2HG PRO 77 7.451 -3.988 -10.605 481 2HD PRO 77 2HD PRO 77 5.811 -2.420 -11.009 Start of MODEL 14 1 1H GLY 1 1H GLY 1 13.183 19.432 -3.555 2 1HA GLY 1 2HA GLY 1 11.653 18.001 -4.768 3 2HA GLY 1 1HA GLY 1 12.392 16.621 -3.970 4 H ALA 2 H ALA 2 9.672 18.394 -4.062 5 HA ALA 2 HA ALA 2 9.046 18.851 -1.352 6 1HB ALA 2 1HB ALA 2 7.818 19.326 -3.785 7 2HB ALA 2 2HB ALA 2 6.733 18.197 -2.972 8 3HB ALA 2 3HB ALA 2 7.172 19.715 -2.191 9 H MET 3 H MET 3 9.047 17.318 0.159 10 HA MET 3 HA MET 3 7.643 14.799 -0.423 11 2HB MET 3 2HB MET 3 9.467 14.031 1.452 12 2HG MET 3 2HG MET 3 9.757 13.962 -1.538 13 1HE MET 3 1HE MET 3 10.826 11.775 1.674 14 2HE MET 3 2HE MET 3 12.544 12.174 1.634 15 3HE MET 3 3HE MET 3 11.347 13.450 1.861 16 H GLY 4 H GLY 4 6.105 14.281 1.007 17 1HA GLY 4 2HA GLY 4 5.559 16.056 3.199 18 2HA GLY 4 1HA GLY 4 4.625 14.637 2.747 19 HA PRO 5 HA PRO 5 7.281 13.950 6.630 20 2HB PRO 5 2HB PRO 5 6.210 15.454 7.998 21 2HG PRO 5 2HG PRO 5 4.054 16.182 7.523 22 2HD PRO 5 2HD PRO 5 5.050 16.529 5.473 23 H ARG 6 H ARG 6 4.192 12.780 5.461 24 HA ARG 6 HA ARG 6 4.894 10.095 6.449 25 2HB ARG 6 2HB ARG 6 2.982 11.000 7.695 26 2HG ARG 6 2HG ARG 6 1.324 10.909 5.212 27 2HD ARG 6 2HD ARG 6 0.289 10.850 7.479 28 HE ARG 6 HE ARG 6 1.983 13.015 8.042 29 1HH1 ARG 6 2HH1 ARG 6 -1.322 12.015 8.482 30 2HH1 ARG 6 1HH1 ARG 6 -1.544 12.936 9.933 31 1HH2 ARG 6 2HH2 ARG 6 1.704 14.231 9.951 32 2HH2 ARG 6 1HH2 ARG 6 0.177 14.196 10.768 33 H GLU 7 H GLU 7 5.713 9.185 4.638 34 HA GLU 7 HA GLU 7 3.982 9.171 2.253 35 2HB GLU 7 2HB GLU 7 5.729 10.249 1.300 36 2HG GLU 7 2HG GLU 7 7.783 8.962 3.063 37 H VAL 8 H VAL 8 3.093 7.235 2.025 38 HA VAL 8 HA VAL 8 4.253 4.878 3.200 39 HB VAL 8 HB VAL 8 1.761 5.366 3.018 40 1HG1 VAL 8 1HG1 VAL 8 0.613 4.900 1.009 41 2HG1 VAL 8 2HG1 VAL 8 1.947 5.967 0.563 42 3HG1 VAL 8 3HG1 VAL 8 2.059 4.234 0.247 43 1HG2 VAL 8 1HG2 VAL 8 2.369 3.237 3.786 44 2HG2 VAL 8 2HG2 VAL 8 1.256 2.921 2.455 45 3HG2 VAL 8 3HG2 VAL 8 2.994 2.749 2.210 46 H THR 9 H THR 9 5.775 3.699 2.268 47 HA THR 9 HA THR 9 5.822 3.523 -0.674 48 HB THR 9 HB THR 9 8.194 3.500 -0.702 49 HG1 THR 9 HG1 THR 9 9.429 3.305 1.137 50 1HG2 THR 9 1HG2 THR 9 7.643 5.586 1.386 51 2HG2 THR 9 2HG2 THR 9 6.973 5.723 -0.240 52 3HG2 THR 9 3HG2 THR 9 8.721 5.670 -0.007 53 H MET 10 H MET 10 5.563 1.534 -1.441 54 HA MET 10 HA MET 10 5.948 -0.735 0.382 55 2HB MET 10 2HB MET 10 4.182 -1.747 -0.598 56 2HG MET 10 2HG MET 10 3.765 1.003 -1.744 57 1HE MET 10 1HE MET 10 1.167 0.015 -4.176 58 2HE MET 10 2HE MET 10 2.324 1.215 -3.600 59 3HE MET 10 3HE MET 10 2.886 -0.375 -4.117 60 H LYS 11 H LYS 11 7.970 -1.490 0.213 61 HA LYS 11 HA LYS 11 9.299 -1.572 -2.377 62 2HB LYS 11 2HB LYS 11 11.153 -2.615 -0.828 63 2HG LYS 11 2HG LYS 11 10.371 0.276 -0.513 64 2HD LYS 11 2HD LYS 11 12.710 -1.322 0.301 65 2HE LYS 11 2HE LYS 11 13.847 1.154 -0.025 66 1HZ LYS 11 1HZ LYS 11 14.093 -1.412 -1.407 67 2HZ LYS 11 2HZ LYS 11 15.235 -0.567 -0.491 68 3HZ LYS 11 3HZ LYS 11 14.895 -0.081 -2.075 69 H LYS 12 H LYS 12 9.733 -3.384 -3.522 70 HA LYS 12 HA LYS 12 8.164 -5.622 -3.383 71 2HB LYS 12 2HB LYS 12 10.982 -5.957 -4.317 72 2HG LYS 12 2HG LYS 12 8.348 -7.015 -5.009 73 2HD LYS 12 2HD LYS 12 8.840 -5.514 -6.961 74 2HE LYS 12 2HE LYS 12 10.953 -7.445 -7.779 75 1HZ LYS 12 1HZ LYS 12 11.630 -5.703 -9.164 76 2HZ LYS 12 2HZ LYS 12 10.769 -4.537 -8.291 77 3HZ LYS 12 3HZ LYS 12 9.941 -5.668 -9.239 78 H GLY 13 H GLY 13 7.905 -7.016 -1.768 79 1HA GLY 13 2HA GLY 13 8.646 -8.866 -0.491 80 2HA GLY 13 1HA GLY 13 10.285 -8.239 -0.578 81 H ASP 14 H ASP 14 7.700 -6.088 0.237 82 HA ASP 14 HA ASP 14 8.570 -6.150 3.053 83 2HB ASP 14 2HB ASP 14 7.430 -3.625 2.038 84 H ILE 15 H ILE 15 7.024 -6.136 4.614 85 HA ILE 15 HA ILE 15 4.276 -6.539 3.713 86 HB ILE 15 HB ILE 15 5.380 -6.888 6.499 87 2HG1 ILE 15 2HG1 ILE 15 6.397 -8.318 4.581 88 1HG2 ILE 15 1HG2 ILE 15 3.027 -8.372 5.473 89 2HG2 ILE 15 2HG2 ILE 15 3.373 -7.779 7.097 90 3HG2 ILE 15 3HG2 ILE 15 2.816 -6.662 5.852 91 1HD1 ILE 15 1HD1 ILE 15 6.055 -10.472 5.983 92 2HD1 ILE 15 2HD1 ILE 15 6.965 -9.119 6.657 93 3HD1 ILE 15 3HD1 ILE 15 5.287 -9.379 7.135 94 H LEU 16 H LEU 16 2.560 -5.290 4.342 95 HA LEU 16 HA LEU 16 3.030 -3.047 6.152 96 2HB LEU 16 2HB LEU 16 2.516 -1.380 4.678 97 HG LEU 16 HG LEU 16 4.443 -3.017 3.653 98 1HD1 LEU 16 1HD1 LEU 16 3.775 -2.721 1.100 99 2HD1 LEU 16 2HD1 LEU 16 2.158 -2.944 1.768 100 3HD1 LEU 16 3HD1 LEU 16 3.390 -4.181 2.013 101 1HD2 LEU 16 1HD2 LEU 16 3.438 -0.303 3.148 102 2HD2 LEU 16 2HD2 LEU 16 4.456 -0.973 1.873 103 3HD2 LEU 16 3HD2 LEU 16 5.068 -0.861 3.525 104 H THR 17 H THR 17 1.374 -2.762 7.498 105 HA THR 17 HA THR 17 -0.724 -4.430 7.848 106 HB THR 17 HB THR 17 -0.766 -1.451 8.371 107 HG1 THR 17 HG1 THR 17 0.088 -1.996 10.340 108 1HG2 THR 17 1HG2 THR 17 -3.006 -2.644 8.392 109 2HG2 THR 17 2HG2 THR 17 -2.553 -1.818 9.883 110 3HG2 THR 17 3HG2 THR 17 -2.393 -3.570 9.762 111 H LEU 18 H LEU 18 -2.523 -4.949 6.791 112 HA LEU 18 HA LEU 18 -3.212 -3.715 4.331 113 2HB LEU 18 2HB LEU 18 -4.957 -5.556 5.949 114 HG LEU 18 HG LEU 18 -5.198 -6.510 3.473 115 1HD1 LEU 18 1HD1 LEU 18 -7.344 -5.589 3.439 116 2HD1 LEU 18 2HD1 LEU 18 -6.831 -4.127 4.279 117 3HD1 LEU 18 3HD1 LEU 18 -6.929 -5.656 5.152 118 1HD2 LEU 18 1HD2 LEU 18 -3.763 -4.838 2.450 119 2HD2 LEU 18 2HD2 LEU 18 -4.776 -3.546 3.095 120 3HD2 LEU 18 3HD2 LEU 18 -5.424 -4.654 1.885 121 H LEU 19 H LEU 19 -3.355 -1.505 5.362 122 HA LEU 19 HA LEU 19 -5.401 -0.723 7.071 123 2HB LEU 19 2HB LEU 19 -5.167 1.457 5.507 124 HG LEU 19 HG LEU 19 -4.491 1.630 7.786 125 1HD1 LEU 19 1HD1 LEU 19 -3.526 -0.444 8.287 126 2HD1 LEU 19 2HD1 LEU 19 -2.204 0.712 8.440 127 3HD1 LEU 19 3HD1 LEU 19 -2.327 -0.297 7.000 128 1HD2 LEU 19 1HD2 LEU 19 -3.490 3.210 6.133 129 2HD2 LEU 19 2HD2 LEU 19 -2.049 2.192 6.109 130 3HD2 LEU 19 3HD2 LEU 19 -2.537 2.996 7.602 131 H ASN 20 H ASN 20 -7.062 1.056 6.085 132 HA ASN 20 HA ASN 20 -9.229 -0.264 5.123 133 2HB ASN 20 2HB ASN 20 -9.231 2.330 3.899 134 1HD2 ASN 20 1HD2 ASN 20 -11.372 1.645 3.701 135 2HD2 ASN 20 2HD2 ASN 20 -12.464 1.676 5.040 136 H SER 21 H SER 21 -9.091 -1.687 3.479 137 HA SER 21 HA SER 21 -7.826 -0.866 0.974 138 2HB SER 21 2HB SER 21 -7.100 -3.018 1.622 139 HG SER 21 HG SER 21 -9.057 -4.605 1.869 140 H THR 22 H THR 22 -10.471 0.119 1.967 141 HA THR 22 HA THR 22 -12.636 -0.983 0.650 142 HB THR 22 HB THR 22 -13.038 0.778 2.202 143 HG1 THR 22 HG1 THR 22 -14.664 1.053 0.840 144 1HG2 THR 22 1HG2 THR 22 -10.768 1.927 1.351 145 2HG2 THR 22 2HG2 THR 22 -12.003 2.800 2.258 146 3HG2 THR 22 3HG2 THR 22 -11.937 2.936 0.502 147 H ASN 23 H ASN 23 -10.386 1.500 -0.552 148 HA ASN 23 HA ASN 23 -11.572 1.857 -3.064 149 2HB ASN 23 2HB ASN 23 -8.855 2.276 -3.477 150 1HD2 ASN 23 1HD2 ASN 23 -9.535 3.733 -4.931 151 2HD2 ASN 23 2HD2 ASN 23 -10.349 5.205 -4.537 152 H LYS 24 H LYS 24 -11.961 0.281 -4.472 153 HA LYS 24 HA LYS 24 -10.591 -2.173 -4.588 154 2HB LYS 24 2HB LYS 24 -12.932 -1.344 -5.565 155 2HG LYS 24 2HG LYS 24 -11.555 -1.714 -8.155 156 2HD LYS 24 2HD LYS 24 -13.397 0.181 -8.544 157 2HE LYS 24 2HE LYS 24 -13.491 -2.768 -8.514 158 1HZ LYS 24 1HZ LYS 24 -15.652 -2.201 -7.557 159 2HZ LYS 24 2HZ LYS 24 -15.812 -2.829 -9.120 160 3HZ LYS 24 3HZ LYS 24 -15.967 -1.165 -8.858 161 H ASP 25 H ASP 25 -10.009 0.900 -6.103 162 HA ASP 25 HA ASP 25 -7.991 -0.255 -7.878 163 2HB ASP 25 2HB ASP 25 -7.893 1.961 -8.911 164 H TRP 26 H TRP 26 -8.143 0.789 -4.778 165 HA TRP 26 HA TRP 26 -5.283 1.137 -4.628 166 2HB TRP 26 2HB TRP 26 -5.477 3.303 -3.365 167 HD1 TRP 26 HD1 TRP 26 -7.546 3.557 -6.624 168 HE1 TRP 26 HE1 TRP 26 -6.109 4.760 -8.388 169 HE3 TRP 26 HE3 TRP 26 -3.191 3.973 -3.978 170 HZ2 TRP 26 HZ2 TRP 26 -3.478 5.754 -8.627 171 HZ3 TRP 26 HZ3 TRP 26 -1.261 5.063 -5.047 172 HH2 TRP 26 HH2 TRP 26 -1.403 5.934 -7.324 173 H TRP 27 H TRP 27 -4.619 0.049 -2.904 174 HA TRP 27 HA TRP 27 -6.526 -0.399 -0.709 175 2HB TRP 27 2HB TRP 27 -4.605 -2.225 -0.226 176 HD1 TRP 27 HD1 TRP 27 -7.811 -1.512 -2.050 177 HE1 TRP 27 HE1 TRP 27 -9.247 -3.646 -2.141 178 HE3 TRP 27 HE3 TRP 27 -4.342 -4.894 -0.418 179 HZ2 TRP 27 HZ2 TRP 27 -8.948 -6.399 -1.593 180 HZ3 TRP 27 HZ3 TRP 27 -4.997 -7.259 -0.229 181 HH2 TRP 27 HH2 TRP 27 -7.254 -7.993 -0.804 182 H LYS 28 H LYS 28 -6.206 1.020 0.880 183 HA LYS 28 HA LYS 28 -3.850 2.433 1.391 184 2HB LYS 28 2HB LYS 28 -5.794 1.799 3.584 185 2HG LYS 28 2HG LYS 28 -4.811 4.506 2.779 186 2HD LYS 28 2HD LYS 28 -5.380 3.444 5.529 187 2HE LYS 28 2HE LYS 28 -4.969 6.085 4.247 188 1HZ LYS 28 1HZ LYS 28 -6.293 6.397 6.737 189 2HZ LYS 28 2HZ LYS 28 -7.313 5.641 5.621 190 3HZ LYS 28 3HZ LYS 28 -6.621 7.139 5.253 191 H VAL 29 H VAL 29 -2.079 2.063 2.612 192 HA VAL 29 HA VAL 29 -2.008 -0.244 4.399 193 HB VAL 29 HB VAL 29 0.086 -1.088 3.458 194 1HG1 VAL 29 1HG1 VAL 29 -2.237 -0.903 1.551 195 2HG1 VAL 29 2HG1 VAL 29 -0.850 -1.965 1.295 196 3HG1 VAL 29 3HG1 VAL 29 -1.884 -2.187 2.708 197 1HG2 VAL 29 1HG2 VAL 29 1.046 0.848 2.478 198 2HG2 VAL 29 2HG2 VAL 29 0.746 -0.286 1.162 199 3HG2 VAL 29 3HG2 VAL 29 -0.341 1.080 1.412 200 H GLU 30 H GLU 30 -0.681 0.021 6.131 201 HA GLU 30 HA GLU 30 0.583 2.641 6.402 202 2HB GLU 30 2HB GLU 30 -0.221 0.513 8.374 203 2HG GLU 30 2HG GLU 30 0.517 2.609 9.932 204 H VAL 31 H VAL 31 2.729 2.906 7.095 205 HA VAL 31 HA VAL 31 4.444 0.525 6.825 206 HB VAL 31 HB VAL 31 4.969 3.280 5.706 207 1HG1 VAL 31 1HG1 VAL 31 7.004 1.779 4.781 208 2HG1 VAL 31 2HG1 VAL 31 7.107 2.780 6.231 209 3HG1 VAL 31 3HG1 VAL 31 6.780 1.052 6.372 210 1HG2 VAL 31 1HG2 VAL 31 3.692 1.038 4.610 211 2HG2 VAL 31 2HG2 VAL 31 4.223 2.493 3.766 212 3HG2 VAL 31 3HG2 VAL 31 5.293 1.095 3.873 213 H ASN 32 H ASN 32 3.867 0.901 9.278 214 HA ASN 32 HA ASN 32 4.833 1.166 11.332 215 2HB ASN 32 2HB ASN 32 7.117 1.748 11.548 216 1HD2 ASN 32 1HD2 ASN 32 7.321 1.600 8.107 217 2HD2 ASN 32 2HD2 ASN 32 7.763 -0.067 7.993 218 H ASP 33 H ASP 33 5.762 4.076 9.488 219 HA ASP 33 HA ASP 33 4.142 5.668 11.361 220 2HB ASP 33 2HB ASP 33 5.991 7.474 10.833 221 H ARG 34 H ARG 34 5.222 5.082 8.128 222 HA ARG 34 HA ARG 34 3.747 7.414 7.133 223 2HB ARG 34 2HB ARG 34 5.501 7.566 5.756 224 2HG ARG 34 2HG ARG 34 6.239 4.762 6.556 225 2HD ARG 34 2HD ARG 34 7.556 6.714 4.695 226 HE ARG 34 HE ARG 34 8.964 5.195 6.578 227 1HH1 ARG 34 2HH1 ARG 34 8.898 5.774 3.146 228 2HH1 ARG 34 1HH1 ARG 34 10.586 5.452 2.927 229 1HH2 ARG 34 2HH2 ARG 34 11.188 4.768 6.303 230 2HH2 ARG 34 1HH2 ARG 34 11.887 4.879 4.723 231 H GLN 35 H GLN 35 1.785 7.185 6.290 232 HA GLN 35 HA GLN 35 0.992 4.558 5.233 233 2HB GLN 35 2HB GLN 35 -0.830 4.381 6.559 234 2HG GLN 35 2HG GLN 35 0.813 6.360 8.102 235 1HE2 GLN 35 1HE2 GLN 35 -2.268 4.856 7.878 236 2HE2 GLN 35 2HE2 GLN 35 -2.877 5.373 9.409 237 H GLY 36 H GLY 36 -1.345 4.916 4.164 238 1HA GLY 36 2HA GLY 36 -2.366 7.087 3.037 239 2HA GLY 36 1HA GLY 36 -0.871 6.949 2.124 240 H PHE 37 H PHE 37 -2.580 6.830 0.375 241 HA PHE 37 HA PHE 37 -3.748 4.159 0.114 242 2HB PHE 37 2HB PHE 37 -4.862 5.202 -1.922 243 HD1 PHE 37 HD1 PHE 37 -4.976 7.829 0.622 244 HD2 PHE 37 HD2 PHE 37 -6.680 4.171 -0.731 245 HE1 PHE 37 HE1 PHE 37 -6.899 8.176 2.118 246 HE2 PHE 37 HE2 PHE 37 -8.606 4.512 0.761 247 HZ PHE 37 HZ PHE 37 -8.718 6.517 2.188 248 H VAL 38 H VAL 38 -3.029 2.677 -1.297 249 HA VAL 38 HA VAL 38 -1.089 3.497 -3.345 250 HB VAL 38 HB VAL 38 0.118 1.284 -2.835 251 1HG1 VAL 38 1HG1 VAL 38 0.312 3.902 -1.565 252 2HG1 VAL 38 2HG1 VAL 38 1.073 2.614 -0.631 253 3HG1 VAL 38 3HG1 VAL 38 1.565 2.903 -2.300 254 1HG2 VAL 38 1HG2 VAL 38 -1.539 0.344 -1.329 255 2HG2 VAL 38 2HG2 VAL 38 -0.003 0.559 -0.488 256 3HG2 VAL 38 3HG2 VAL 38 -1.324 1.696 -0.217 257 HA PRO 39 HA PRO 39 -3.334 0.903 -6.082 258 2HB PRO 39 2HB PRO 39 -1.967 1.679 -7.757 259 2HG PRO 39 2HG PRO 39 0.292 2.077 -7.374 260 2HD PRO 39 2HD PRO 39 -0.620 3.217 -5.590 261 H ALA 40 H ALA 40 -4.186 -0.960 -5.390 262 HA ALA 40 HA ALA 40 -2.923 -2.955 -3.941 263 1HB ALA 40 1HB ALA 40 -4.846 -4.416 -4.880 264 2HB ALA 40 2HB ALA 40 -5.234 -3.031 -3.860 265 3HB ALA 40 3HB ALA 40 -5.403 -2.910 -5.611 266 H ALA 41 H ALA 41 -2.726 -2.272 -7.289 267 HA ALA 41 HA ALA 41 -2.134 -4.852 -8.282 268 1HB ALA 41 1HB ALA 41 -2.397 -2.276 -9.345 269 2HB ALA 41 2HB ALA 41 -0.762 -2.800 -9.752 270 3HB ALA 41 3HB ALA 41 -2.147 -3.783 -10.227 271 H TYR 42 H TYR 42 -0.294 -2.562 -6.479 272 HA TYR 42 HA TYR 42 2.242 -3.839 -7.160 273 2HB TYR 42 2HB TYR 42 3.160 -2.054 -5.576 274 HD1 TYR 42 HD1 TYR 42 0.622 -1.561 -8.276 275 HD2 TYR 42 HD2 TYR 42 4.512 -0.645 -6.813 276 HE1 TYR 42 HE1 TYR 42 1.096 -0.309 -10.338 277 HE2 TYR 42 HE2 TYR 42 4.996 0.610 -8.871 278 HH TYR 42 HH TYR 42 2.529 1.060 -11.374 279 H VAL 43 H VAL 43 -0.236 -4.227 -4.953 280 HA VAL 43 HA VAL 43 1.545 -5.694 -3.124 281 HB VAL 43 HB VAL 43 -0.062 -5.143 -1.280 282 1HG1 VAL 43 1HG1 VAL 43 1.965 -3.982 -1.207 283 2HG1 VAL 43 2HG1 VAL 43 1.566 -3.013 -2.628 284 3HG1 VAL 43 3HG1 VAL 43 0.741 -2.717 -1.097 285 1HG2 VAL 43 1HG2 VAL 43 -1.016 -2.821 -2.881 286 2HG2 VAL 43 2HG2 VAL 43 -1.801 -4.384 -3.105 287 3HG2 VAL 43 3HG2 VAL 43 -1.771 -3.633 -1.510 288 H LYS 44 H LYS 44 -0.126 -7.020 -1.570 289 HA LYS 44 HA LYS 44 -2.441 -8.094 -2.751 290 2HB LYS 44 2HB LYS 44 -0.027 -9.896 -2.990 291 2HG LYS 44 2HG LYS 44 -2.809 -10.196 -4.106 292 2HD LYS 44 2HD LYS 44 -1.260 -11.219 -5.596 293 2HE LYS 44 2HE LYS 44 0.087 -12.124 -3.080 294 1HZ LYS 44 1HZ LYS 44 1.144 -13.279 -5.479 295 2HZ LYS 44 2HZ LYS 44 -0.395 -13.873 -5.106 296 3HZ LYS 44 3HZ LYS 44 0.855 -13.995 -3.974 297 H LYS 45 H LYS 45 -3.399 -9.763 -1.484 298 HA LYS 45 HA LYS 45 -2.763 -9.589 1.282 299 2HB LYS 45 2HB LYS 45 -4.472 -11.758 1.011 300 2HG LYS 45 2HG LYS 45 -5.567 -8.980 0.965 301 2HD LYS 45 2HD LYS 45 -6.667 -10.329 3.059 302 2HE LYS 45 2HE LYS 45 -7.429 -9.620 0.349 303 1HZ LYS 45 1HZ LYS 45 -8.042 -12.222 1.029 304 2HZ LYS 45 2HZ LYS 45 -8.718 -11.310 -0.224 305 3HZ LYS 45 3HZ LYS 45 -9.466 -11.348 1.293 306 H LEU 46 H LEU 46 -1.967 -11.161 2.682 307 HA LEU 46 HA LEU 46 -0.430 -13.301 1.370 308 2HB LEU 46 2HB LEU 46 0.913 -13.266 3.506 309 HG LEU 46 HG LEU 46 0.916 -10.766 1.825 310 1HD1 LEU 46 1HD1 LEU 46 2.281 -11.333 4.327 311 2HD1 LEU 46 2HD1 LEU 46 2.130 -9.819 3.435 312 3HD1 LEU 46 3HD1 LEU 46 3.395 -10.972 3.007 313 1HD2 LEU 46 1HD2 LEU 46 1.717 -13.345 1.261 314 2HD2 LEU 46 2HD2 LEU 46 3.213 -12.548 1.748 315 3HD2 LEU 46 3HD2 LEU 46 2.249 -11.884 0.428 316 H ASP 47 H ASP 47 0.026 -15.176 2.974 317 HA ASP 47 HA ASP 47 -2.570 -16.164 3.830 318 2HB ASP 47 2HB ASP 47 -1.151 -18.285 4.275 319 H SER 48 H SER 48 -3.135 -15.334 5.768 320 HA SER 48 HA SER 48 -1.207 -15.619 7.979 321 2HB SER 48 2HB SER 48 -1.827 -13.272 7.487 322 HG SER 48 HG SER 48 -4.140 -14.108 6.981 323 H GLY 49 H GLY 49 -1.799 -17.730 8.512 324 1HA GLY 49 2HA GLY 49 -4.531 -18.471 8.962 325 2HA GLY 49 1HA GLY 49 -3.113 -19.424 9.370 326 H THR 50 H THR 50 -4.165 -16.197 10.430 327 HA THR 50 HA THR 50 -4.492 -17.226 13.152 328 HB THR 50 HB THR 50 -3.108 -15.580 14.165 329 HG1 THR 50 HG1 THR 50 -3.046 -13.727 13.138 330 1HG2 THR 50 1HG2 THR 50 -1.047 -16.410 13.619 331 2HG2 THR 50 2HG2 THR 50 -1.329 -16.273 11.884 332 3HG2 THR 50 3HG2 THR 50 -2.057 -17.596 12.794 333 H GLY 51 H GLY 51 -4.953 -14.627 10.825 334 1HA GLY 51 2HA GLY 51 -7.277 -13.782 10.701 335 2HA GLY 51 1HA GLY 51 -7.234 -13.691 12.455 336 H LYS 52 H LYS 52 -4.513 -12.773 10.466 337 HA LYS 52 HA LYS 52 -4.853 -10.007 11.392 338 2HB LYS 52 2HB LYS 52 -2.420 -9.795 10.726 339 2HG LYS 52 2HG LYS 52 -1.935 -11.845 12.567 340 2HD LYS 52 2HD LYS 52 -2.026 -8.920 12.485 341 2HE LYS 52 2HE LYS 52 -3.470 -9.827 14.537 342 1HZ LYS 52 1HZ LYS 52 -2.312 -10.529 16.304 343 2HZ LYS 52 2HZ LYS 52 -1.003 -9.499 16.010 344 3HZ LYS 52 3HZ LYS 52 -1.131 -10.965 15.173 345 H GLU 53 H GLU 53 -4.341 -8.257 9.925 346 HA GLU 53 HA GLU 53 -5.036 -8.931 7.145 347 2HB GLU 53 2HB GLU 53 -6.115 -6.857 6.939 348 2HG GLU 53 2HG GLU 53 -7.107 -6.627 9.508 349 H LEU 54 H LEU 54 -2.974 -9.299 6.357 350 HA LEU 54 HA LEU 54 -1.220 -6.934 6.280 351 2HB LEU 54 2HB LEU 54 0.166 -8.275 7.448 352 HG LEU 54 HG LEU 54 -1.317 -10.153 7.855 353 1HD1 LEU 54 1HD1 LEU 54 -0.827 -11.987 5.867 354 2HD1 LEU 54 2HD1 LEU 54 -1.060 -10.483 4.977 355 3HD1 LEU 54 3HD1 LEU 54 -2.311 -11.058 6.078 356 1HD2 LEU 54 1HD2 LEU 54 0.519 -12.011 7.381 357 2HD2 LEU 54 2HD2 LEU 54 0.730 -10.780 8.627 358 3HD2 LEU 54 3HD2 LEU 54 1.508 -10.586 7.055 359 H VAL 55 H VAL 55 0.050 -6.674 4.355 360 HA VAL 55 HA VAL 55 -0.790 -8.246 2.032 361 HB VAL 55 HB VAL 55 -0.789 -5.861 0.840 362 1HG1 VAL 55 1HG1 VAL 55 -3.225 -6.835 2.316 363 2HG1 VAL 55 2HG1 VAL 55 -3.159 -5.981 0.774 364 3HG1 VAL 55 3HG1 VAL 55 -2.570 -7.639 0.891 365 1HG2 VAL 55 1HG2 VAL 55 -1.892 -4.182 2.202 366 2HG2 VAL 55 2HG2 VAL 55 -1.873 -5.266 3.593 367 3HG2 VAL 55 3HG2 VAL 55 -0.358 -4.646 2.938 368 H LEU 56 H LEU 56 0.994 -8.933 1.067 369 HA LEU 56 HA LEU 56 3.550 -7.754 1.559 370 2HB LEU 56 2HB LEU 56 2.814 -9.819 -0.507 371 HG LEU 56 HG LEU 56 5.087 -10.738 -0.063 372 1HD1 LEU 56 1HD1 LEU 56 5.823 -8.128 -1.056 373 2HD1 LEU 56 2HD1 LEU 56 4.297 -8.676 -1.749 374 3HD1 LEU 56 3HD1 LEU 56 5.742 -9.674 -1.900 375 1HD2 LEU 56 1HD2 LEU 56 6.758 -9.275 0.950 376 2HD2 LEU 56 2HD2 LEU 56 5.479 -9.669 2.098 377 3HD2 LEU 56 3HD2 LEU 56 5.507 -8.088 1.317 378 H ALA 57 H ALA 57 4.958 -6.792 0.041 379 HA ALA 57 HA ALA 57 3.556 -5.241 -1.996 380 1HB ALA 57 1HB ALA 57 6.302 -4.547 -1.876 381 2HB ALA 57 2HB ALA 57 4.907 -3.615 -1.334 382 3HB ALA 57 3HB ALA 57 5.712 -4.723 -0.224 383 H LEU 58 H LEU 58 3.423 -6.127 -3.951 384 HA LEU 58 HA LEU 58 5.309 -8.086 -4.878 385 2HB LEU 58 2HB LEU 58 3.916 -8.348 -6.744 386 HG LEU 58 HG LEU 58 2.068 -7.469 -4.527 387 1HD1 LEU 58 1HD1 LEU 58 0.581 -7.486 -6.236 388 2HD1 LEU 58 2HD1 LEU 58 0.619 -9.220 -5.918 389 3HD1 LEU 58 3HD1 LEU 58 1.573 -8.545 -7.239 390 1HD2 LEU 58 1HD2 LEU 58 2.760 -10.274 -5.343 391 2HD2 LEU 58 2HD2 LEU 58 2.005 -9.710 -3.852 392 3HD2 LEU 58 3HD2 LEU 58 3.714 -9.388 -4.153 393 H TYR 59 H TYR 59 4.546 -4.721 -5.660 394 HA TYR 59 HA TYR 59 7.080 -4.586 -7.157 395 2HB TYR 59 2HB TYR 59 6.135 -3.211 -8.789 396 HD1 TYR 59 HD1 TYR 59 6.000 -6.187 -8.479 397 HD2 TYR 59 HD2 TYR 59 2.936 -3.300 -9.103 398 HE1 TYR 59 HE1 TYR 59 4.606 -7.907 -9.551 399 HE2 TYR 59 HE2 TYR 59 1.534 -5.013 -10.175 400 HH TYR 59 HH TYR 59 1.817 -7.165 -11.330 401 H ASP 60 H ASP 60 7.880 -2.262 -7.330 402 HA ASP 60 HA ASP 60 7.958 -1.164 -4.647 403 2HB ASP 60 2HB ASP 60 10.095 -1.231 -5.570 404 H TYR 61 H TYR 61 7.083 0.722 -3.988 405 HA TYR 61 HA TYR 61 5.976 2.571 -5.955 406 2HB TYR 61 2HB TYR 61 4.317 1.360 -3.733 407 HD1 TYR 61 HD1 TYR 61 2.573 2.208 -6.669 408 HD2 TYR 61 HD2 TYR 61 4.104 3.900 -3.078 409 HE1 TYR 61 HE1 TYR 61 0.995 4.082 -6.887 410 HE2 TYR 61 HE2 TYR 61 2.529 5.778 -3.285 411 HH TYR 61 HH TYR 61 1.272 6.899 -5.405 412 H GLN 62 H GLN 62 5.447 4.657 -5.066 413 HA GLN 62 HA GLN 62 6.383 5.200 -2.356 414 2HB GLN 62 2HB GLN 62 7.432 7.266 -4.014 415 2HG GLN 62 2HG GLN 62 9.650 6.183 -3.205 416 1HE2 GLN 62 1HE2 GLN 62 6.618 7.167 -1.718 417 2HE2 GLN 62 2HE2 GLN 62 7.301 8.373 -0.687 418 H GLU 63 H GLU 63 4.985 6.495 -1.375 419 HA GLU 63 HA GLU 63 3.325 8.275 -3.035 420 2HB GLU 63 2HB GLU 63 2.244 7.694 -0.395 421 2HG GLU 63 2HG GLU 63 0.264 7.006 -1.693 422 H SER 64 H SER 64 2.564 10.249 -1.949 423 HA SER 64 HA SER 64 4.458 11.210 0.092 424 2HB SER 64 2HB SER 64 3.400 12.857 -2.218 425 HG SER 64 HG SER 64 5.422 14.048 -1.380 426 H GLY 65 H GLY 65 3.315 11.495 1.892 427 1HA GLY 65 2HA GLY 65 1.671 12.199 3.332 428 2HA GLY 65 1HA GLY 65 1.311 13.435 2.135 429 H ASP 66 H ASP 66 0.045 10.891 3.808 430 HA ASP 66 HA ASP 66 -1.456 9.303 2.264 431 2HB ASP 66 2HB ASP 66 -1.653 9.324 4.697 432 H ASN 67 H ASN 67 -2.280 9.839 0.333 433 HA ASN 67 HA ASN 67 -4.173 12.095 0.240 434 2HB ASN 67 2HB ASN 67 -3.535 12.379 -2.150 435 1HD2 ASN 67 1HD2 ASN 67 -3.331 13.831 0.136 436 2HD2 ASN 67 2HD2 ASN 67 -1.785 14.600 0.211 437 H ALA 68 H ALA 68 -6.054 11.823 -0.969 438 HA ALA 68 HA ALA 68 -7.077 9.174 -1.070 439 1HB ALA 68 1HB ALA 68 -8.819 10.720 -2.555 440 2HB ALA 68 2HB ALA 68 -8.907 10.418 -0.820 441 3HB ALA 68 3HB ALA 68 -8.099 11.866 -1.423 442 HA PRO 69 HA PRO 69 -5.808 7.931 -5.102 443 2HB PRO 69 2HB PRO 69 -6.328 5.793 -4.440 444 2HG PRO 69 2HG PRO 69 -8.112 5.384 -3.005 445 2HD PRO 69 2HD PRO 69 -7.035 7.051 -1.833 446 H SER 70 H SER 70 -9.151 7.140 -5.565 447 HA SER 70 HA SER 70 -10.807 8.022 -6.874 448 2HB SER 70 2HB SER 70 -9.176 10.482 -7.429 449 HG SER 70 HG SER 70 -11.343 10.125 -8.286 450 H TYR 71 H TYR 71 -7.638 9.043 -8.157 451 HA TYR 71 HA TYR 71 -8.414 8.493 -10.863 452 2HB TYR 71 2HB TYR 71 -6.842 10.247 -10.578 453 HD1 TYR 71 HD1 TYR 71 -6.495 10.820 -8.206 454 HD2 TYR 71 HD2 TYR 71 -4.176 7.814 -10.128 455 HE1 TYR 71 HE1 TYR 71 -4.855 10.922 -6.375 456 HE2 TYR 71 HE2 TYR 71 -2.531 7.907 -8.302 457 HH TYR 71 HH TYR 71 -1.882 8.997 -6.462 458 H SER 72 H SER 72 -6.851 7.112 -12.232 459 HA SER 72 HA SER 72 -7.014 4.431 -11.232 460 2HB SER 72 2HB SER 72 -7.458 4.880 -13.587 461 HG SER 72 HG SER 72 -6.210 6.210 -14.606 462 HA PRO 73 HA PRO 73 -2.993 4.021 -9.500 463 2HB PRO 73 2HB PRO 73 -3.747 2.052 -8.586 464 2HG PRO 73 2HG PRO 73 -5.237 0.689 -9.738 465 2HD PRO 73 2HD PRO 73 -6.320 2.714 -9.935 466 HA PRO 74 HA PRO 74 -0.020 4.070 -12.748 467 2HB PRO 74 2HB PRO 74 1.452 4.934 -11.210 468 2HG PRO 74 2HG PRO 74 1.421 4.230 -8.994 469 2HD PRO 74 2HD PRO 74 -0.816 4.697 -9.293 470 HA PRO 75 HA PRO 75 0.400 -0.012 -14.356 471 2HB PRO 75 2HB PRO 75 0.819 0.982 -16.384 472 2HG PRO 75 2HG PRO 75 2.011 2.974 -16.521 473 2HD PRO 75 2HD PRO 75 0.465 3.546 -14.910 474 HA PRO 76 HA PRO 76 3.554 -1.729 -11.702 475 2HB PRO 76 2HB PRO 76 2.008 -3.342 -11.166 476 2HG PRO 76 2HG PRO 76 0.387 -4.006 -12.695 477 2HD PRO 76 2HD PRO 76 0.127 -1.719 -12.809 478 HA PRO 77 HA PRO 77 6.959 -2.805 -14.268 479 2HB PRO 77 2HB PRO 77 8.189 -3.161 -12.360 480 2HG PRO 77 2HG PRO 77 7.241 -4.178 -10.496 481 2HD PRO 77 2HD PRO 77 5.647 -2.569 -10.922 Start of MODEL 15 1 1H GLY 1 1H GLY 1 15.726 17.742 -0.305 2 1HA GLY 1 2HA GLY 1 13.515 18.720 -1.998 3 2HA GLY 1 1HA GLY 1 13.810 17.030 -1.621 4 H ALA 2 H ALA 2 11.322 17.831 -1.237 5 HA ALA 2 HA ALA 2 11.071 17.800 1.672 6 1HB ALA 2 1HB ALA 2 9.858 19.876 -0.124 7 2HB ALA 2 2HB ALA 2 9.157 19.478 1.446 8 3HB ALA 2 3HB ALA 2 10.803 20.104 1.348 9 H MET 3 H MET 3 9.545 16.419 2.353 10 HA MET 3 HA MET 3 7.539 15.497 0.404 11 2HB MET 3 2HB MET 3 7.772 13.269 1.778 12 2HG MET 3 2HG MET 3 8.671 14.006 -0.677 13 1HE MET 3 1HE MET 3 10.963 11.654 -1.496 14 2HE MET 3 2HE MET 3 12.336 11.645 -0.389 15 3HE MET 3 3HE MET 3 10.747 11.118 0.170 16 H GLY 4 H GLY 4 5.505 14.932 1.228 17 1HA GLY 4 2HA GLY 4 4.474 16.485 3.267 18 2HA GLY 4 1HA GLY 4 3.719 15.015 2.670 19 HA PRO 5 HA PRO 5 5.156 14.581 7.154 20 2HB PRO 5 2HB PRO 5 3.532 15.930 8.061 21 2HG PRO 5 2HG PRO 5 1.562 16.375 6.910 22 2HD PRO 5 2HD PRO 5 3.102 16.854 5.262 23 H ARG 6 H ARG 6 2.766 13.025 5.120 24 HA ARG 6 HA ARG 6 3.443 10.450 6.380 25 2HB ARG 6 2HB ARG 6 1.221 9.673 6.115 26 2HG ARG 6 2HG ARG 6 1.130 12.529 7.051 27 2HD ARG 6 2HD ARG 6 -0.924 10.654 7.980 28 HE ARG 6 HE ARG 6 -0.758 13.491 7.457 29 1HH1 ARG 6 2HH1 ARG 6 -2.814 10.791 8.232 30 2HH1 ARG 6 1HH1 ARG 6 -4.066 11.773 8.917 31 1HH2 ARG 6 2HH2 ARG 6 -2.400 14.795 8.356 32 2HH2 ARG 6 1HH2 ARG 6 -3.830 14.051 8.986 33 H GLU 7 H GLU 7 4.932 9.720 4.942 34 HA GLU 7 HA GLU 7 4.025 9.406 2.157 35 2HB GLU 7 2HB GLU 7 6.584 9.419 1.672 36 2HG GLU 7 2HG GLU 7 6.048 12.165 2.364 37 H VAL 8 H VAL 8 3.415 7.320 2.105 38 HA VAL 8 HA VAL 8 5.102 5.292 3.370 39 HB VAL 8 HB VAL 8 2.588 5.306 3.674 40 1HG1 VAL 8 1HG1 VAL 8 1.241 4.330 1.882 41 2HG1 VAL 8 2HG1 VAL 8 1.978 5.851 1.375 42 3HG1 VAL 8 3HG1 VAL 8 2.652 4.317 0.825 43 1HG2 VAL 8 1HG2 VAL 8 4.387 3.240 3.554 44 2HG2 VAL 8 2HG2 VAL 8 2.739 3.128 4.171 45 3HG2 VAL 8 3HG2 VAL 8 3.087 2.680 2.502 46 H THR 9 H THR 9 6.361 3.927 2.260 47 HA THR 9 HA THR 9 6.073 3.835 -0.670 48 HB THR 9 HB THR 9 8.572 3.569 -0.784 49 HG1 THR 9 HG1 THR 9 8.307 4.287 1.953 50 1HG2 THR 9 1HG2 THR 9 8.670 6.173 0.252 51 2HG2 THR 9 2HG2 THR 9 7.024 5.957 -0.342 52 3HG2 THR 9 3HG2 THR 9 8.393 5.697 -1.423 53 H MET 10 H MET 10 5.657 1.853 -1.369 54 HA MET 10 HA MET 10 6.109 -0.431 0.356 55 2HB MET 10 2HB MET 10 5.049 -1.628 -1.701 56 2HG MET 10 2HG MET 10 3.600 -1.524 0.067 57 1HE MET 10 1HE MET 10 3.595 1.789 -1.521 58 2HE MET 10 2HE MET 10 2.631 2.718 -0.374 59 3HE MET 10 3HE MET 10 4.393 2.809 -0.324 60 H LYS 11 H LYS 11 7.453 -2.159 -0.069 61 HA LYS 11 HA LYS 11 9.319 -1.847 -2.326 62 2HB LYS 11 2HB LYS 11 10.080 -2.855 0.419 63 2HG LYS 11 2HG LYS 11 11.558 -2.432 -2.113 64 2HD LYS 11 2HD LYS 11 13.565 -2.449 -0.248 65 2HE LYS 11 2HE LYS 11 13.228 0.238 -0.866 66 1HZ LYS 11 1HZ LYS 11 14.847 -0.192 -2.573 67 2HZ LYS 11 2HZ LYS 11 14.504 -1.847 -2.552 68 3HZ LYS 11 3HZ LYS 11 15.227 -1.116 -1.208 69 H LYS 12 H LYS 12 9.845 -3.672 -3.434 70 HA LYS 12 HA LYS 12 8.137 -5.851 -3.450 71 2HB LYS 12 2HB LYS 12 10.978 -6.227 -4.300 72 2HG LYS 12 2HG LYS 12 8.349 -7.219 -5.098 73 2HD LYS 12 2HD LYS 12 10.352 -6.324 -7.167 74 2HE LYS 12 2HE LYS 12 8.030 -8.233 -7.415 75 1HZ LYS 12 1HZ LYS 12 8.462 -8.232 -9.755 76 2HZ LYS 12 2HZ LYS 12 9.738 -7.136 -9.581 77 3HZ LYS 12 3HZ LYS 12 8.151 -6.640 -9.276 78 H GLY 13 H GLY 13 7.785 -7.267 -1.871 79 1HA GLY 13 2HA GLY 13 8.392 -9.146 -0.588 80 2HA GLY 13 1HA GLY 13 10.072 -8.641 -0.683 81 H ASP 14 H ASP 14 7.289 -6.706 0.324 82 HA ASP 14 HA ASP 14 8.367 -6.676 3.061 83 2HB ASP 14 2HB ASP 14 7.137 -4.163 2.114 84 H ILE 15 H ILE 15 6.869 -6.530 4.708 85 HA ILE 15 HA ILE 15 4.098 -7.038 3.901 86 HB ILE 15 HB ILE 15 5.405 -7.451 6.592 87 2HG1 ILE 15 2HG1 ILE 15 6.175 -8.917 4.647 88 1HG2 ILE 15 1HG2 ILE 15 3.065 -9.004 6.261 89 2HG2 ILE 15 2HG2 ILE 15 3.354 -7.690 7.400 90 3HG2 ILE 15 3HG2 ILE 15 2.670 -7.344 5.812 91 1HD1 ILE 15 1HD1 ILE 15 6.489 -9.695 6.915 92 2HD1 ILE 15 2HD1 ILE 15 4.829 -10.290 6.960 93 3HD1 ILE 15 3HD1 ILE 15 6.001 -11.027 5.868 94 H LEU 16 H LEU 16 2.817 -5.318 3.864 95 HA LEU 16 HA LEU 16 3.187 -3.244 5.925 96 2HB LEU 16 2HB LEU 16 2.671 -1.603 4.426 97 HG LEU 16 HG LEU 16 4.481 -3.392 3.340 98 1HD1 LEU 16 1HD1 LEU 16 2.861 -4.292 1.808 99 2HD1 LEU 16 2HD1 LEU 16 4.003 -3.289 0.914 100 3HD1 LEU 16 3HD1 LEU 16 2.394 -2.672 1.288 101 1HD2 LEU 16 1HD2 LEU 16 3.687 -0.574 2.918 102 2HD2 LEU 16 2HD2 LEU 16 4.734 -1.299 1.698 103 3HD2 LEU 16 3HD2 LEU 16 5.243 -1.258 3.386 104 H THR 17 H THR 17 1.523 -2.759 7.232 105 HA THR 17 HA THR 17 -0.588 -4.432 7.689 106 HB THR 17 HB THR 17 -0.651 -1.444 8.148 107 HG1 THR 17 HG1 THR 17 0.309 -3.536 9.834 108 1HG2 THR 17 1HG2 THR 17 -2.748 -3.026 8.433 109 2HG2 THR 17 2HG2 THR 17 -2.386 -1.769 9.616 110 3HG2 THR 17 3HG2 THR 17 -1.940 -3.443 9.943 111 H LEU 18 H LEU 18 -2.529 -4.823 6.813 112 HA LEU 18 HA LEU 18 -3.210 -3.659 4.298 113 2HB LEU 18 2HB LEU 18 -5.175 -5.238 5.885 114 HG LEU 18 HG LEU 18 -4.480 -6.235 3.240 115 1HD1 LEU 18 1HD1 LEU 18 -6.412 -6.971 4.538 116 2HD1 LEU 18 2HD1 LEU 18 -6.905 -6.255 3.004 117 3HD1 LEU 18 3HD1 LEU 18 -7.067 -5.334 4.500 118 1HD2 LEU 18 1HD2 LEU 18 -4.114 -4.023 2.552 119 2HD2 LEU 18 2HD2 LEU 18 -5.418 -3.399 3.561 120 3HD2 LEU 18 3HD2 LEU 18 -5.793 -4.353 2.125 121 H LEU 19 H LEU 19 -3.151 -1.432 5.442 122 HA LEU 19 HA LEU 19 -5.115 -0.501 7.131 123 2HB LEU 19 2HB LEU 19 -4.826 1.632 5.512 124 HG LEU 19 HG LEU 19 -4.055 1.812 7.760 125 1HD1 LEU 19 1HD1 LEU 19 -1.780 0.792 8.330 126 2HD1 LEU 19 2HD1 LEU 19 -2.042 -0.252 6.933 127 3HD1 LEU 19 3HD1 LEU 19 -3.175 -0.287 8.284 128 1HD2 LEU 19 1HD2 LEU 19 -1.572 2.203 6.121 129 2HD2 LEU 19 2HD2 LEU 19 -2.174 3.170 7.468 130 3HD2 LEU 19 3HD2 LEU 19 -2.995 3.223 5.907 131 H ASN 20 H ASN 20 -6.712 1.347 6.155 132 HA ASN 20 HA ASN 20 -8.981 0.127 5.308 133 2HB ASN 20 2HB ASN 20 -8.834 2.699 4.013 134 1HD2 ASN 20 1HD2 ASN 20 -11.011 2.134 3.794 135 2HD2 ASN 20 2HD2 ASN 20 -12.115 2.250 5.117 136 H SER 21 H SER 21 -8.897 -1.381 3.718 137 HA SER 21 HA SER 21 -7.745 -0.657 1.129 138 2HB SER 21 2HB SER 21 -7.002 -2.791 1.821 139 HG SER 21 HG SER 21 -8.310 -3.457 3.404 140 H THR 22 H THR 22 -10.346 0.361 2.231 141 HA THR 22 HA THR 22 -12.583 -0.747 1.084 142 HB THR 22 HB THR 22 -12.867 1.122 2.532 143 HG1 THR 22 HG1 THR 22 -14.552 1.633 1.371 144 1HG2 THR 22 1HG2 THR 22 -11.833 3.153 2.365 145 2HG2 THR 22 2HG2 THR 22 -11.771 3.100 0.603 146 3HG2 THR 22 3HG2 THR 22 -10.624 2.158 1.555 147 H ASN 23 H ASN 23 -10.442 1.688 -0.398 148 HA ASN 23 HA ASN 23 -11.737 1.861 -2.860 149 2HB ASN 23 2HB ASN 23 -8.982 2.177 -3.368 150 1HD2 ASN 23 1HD2 ASN 23 -9.800 3.322 -5.061 151 2HD2 ASN 23 2HD2 ASN 23 -10.558 4.865 -4.891 152 H LYS 24 H LYS 24 -12.090 0.359 -4.341 153 HA LYS 24 HA LYS 24 -10.812 -2.178 -4.311 154 2HB LYS 24 2HB LYS 24 -12.036 -1.769 -6.835 155 2HG LYS 24 2HG LYS 24 -13.811 -2.867 -4.819 156 2HD LYS 24 2HD LYS 24 -12.378 -4.388 -6.964 157 2HE LYS 24 2HE LYS 24 -15.296 -4.529 -6.512 158 1HZ LYS 24 1HZ LYS 24 -13.822 -5.963 -8.027 159 2HZ LYS 24 2HZ LYS 24 -15.008 -6.730 -7.096 160 3HZ LYS 24 3HZ LYS 24 -13.390 -6.774 -6.606 161 H ASP 25 H ASP 25 -10.200 0.811 -5.968 162 HA ASP 25 HA ASP 25 -8.258 -0.470 -7.745 163 2HB ASP 25 2HB ASP 25 -8.198 1.604 -8.960 164 H TRP 26 H TRP 26 -8.295 0.687 -4.694 165 HA TRP 26 HA TRP 26 -5.428 1.027 -4.654 166 2HB TRP 26 2HB TRP 26 -5.620 3.222 -3.395 167 HD1 TRP 26 HD1 TRP 26 -7.627 3.418 -6.695 168 HE1 TRP 26 HE1 TRP 26 -6.149 4.568 -8.461 169 HE3 TRP 26 HE3 TRP 26 -3.311 3.843 -3.987 170 HZ2 TRP 26 HZ2 TRP 26 -3.503 5.527 -8.677 171 HZ3 TRP 26 HZ3 TRP 26 -1.352 4.889 -5.048 172 HH2 TRP 26 HH2 TRP 26 -1.448 5.712 -7.344 173 H TRP 27 H TRP 27 -4.681 0.021 -2.912 174 HA TRP 27 HA TRP 27 -6.507 -0.362 -0.633 175 2HB TRP 27 2HB TRP 27 -4.617 -2.232 -0.202 176 HD1 TRP 27 HD1 TRP 27 -7.921 -1.443 -1.735 177 HE1 TRP 27 HE1 TRP 27 -9.406 -3.546 -1.760 178 HE3 TRP 27 HE3 TRP 27 -4.391 -4.945 -0.546 179 HZ2 TRP 27 HZ2 TRP 27 -9.120 -6.320 -1.333 180 HZ3 TRP 27 HZ3 TRP 27 -5.079 -7.301 -0.373 181 HH2 TRP 27 HH2 TRP 27 -7.395 -7.973 -0.758 182 H LYS 28 H LYS 28 -6.064 0.976 0.985 183 HA LYS 28 HA LYS 28 -3.618 2.342 1.317 184 2HB LYS 28 2HB LYS 28 -5.449 1.927 3.638 185 2HG LYS 28 2HG LYS 28 -4.582 4.558 2.526 186 2HD LYS 28 2HD LYS 28 -4.897 3.624 5.373 187 2HE LYS 28 2HE LYS 28 -4.803 6.335 4.059 188 1HZ LYS 28 1HZ LYS 28 -6.380 6.554 5.759 189 2HZ LYS 28 2HZ LYS 28 -4.932 7.098 6.445 190 3HZ LYS 28 3HZ LYS 28 -5.521 5.557 6.823 191 H VAL 29 H VAL 29 -1.825 1.899 2.473 192 HA VAL 29 HA VAL 29 -1.827 -0.319 4.369 193 HB VAL 29 HB VAL 29 0.165 -1.347 3.387 194 1HG1 VAL 29 1HG1 VAL 29 -2.214 -2.010 2.758 195 2HG1 VAL 29 2HG1 VAL 29 -1.923 -1.170 1.234 196 3HG1 VAL 29 3HG1 VAL 29 -0.922 -2.550 1.687 197 1HG2 VAL 29 1HG2 VAL 29 -0.139 0.880 1.422 198 2HG2 VAL 29 2HG2 VAL 29 1.315 0.266 2.208 199 3HG2 VAL 29 3HG2 VAL 29 0.568 -0.649 0.900 200 H GLU 30 H GLU 30 -0.398 -0.072 6.023 201 HA GLU 30 HA GLU 30 1.131 2.433 6.042 202 2HB GLU 30 2HB GLU 30 0.206 0.649 8.300 203 2HG GLU 30 2HG GLU 30 1.617 3.302 8.484 204 H VAL 31 H VAL 31 3.257 2.448 7.037 205 HA VAL 31 HA VAL 31 4.715 -0.047 6.484 206 HB VAL 31 HB VAL 31 6.649 1.877 6.746 207 1HG1 VAL 31 1HG1 VAL 31 5.447 0.305 4.656 208 2HG1 VAL 31 2HG1 VAL 31 5.987 1.864 4.031 209 3HG1 VAL 31 3HG1 VAL 31 7.127 0.802 4.860 210 1HG2 VAL 31 1HG2 VAL 31 5.830 3.731 5.241 211 2HG2 VAL 31 2HG2 VAL 31 4.197 3.138 5.541 212 3HG2 VAL 31 3HG2 VAL 31 5.178 3.730 6.880 213 H ASN 32 H ASN 32 5.959 2.659 8.328 214 HA ASN 32 HA ASN 32 5.897 1.015 10.767 215 2HB ASN 32 2HB ASN 32 8.182 1.898 11.300 216 1HD2 ASN 32 1HD2 ASN 32 7.897 1.016 7.890 217 2HD2 ASN 32 2HD2 ASN 32 8.589 -0.557 8.058 218 H ASP 33 H ASP 33 5.070 3.867 9.305 219 HA ASP 33 HA ASP 33 4.102 5.042 11.681 220 2HB ASP 33 2HB ASP 33 6.028 6.981 10.648 221 H ARG 34 H ARG 34 5.019 5.373 8.322 222 HA ARG 34 HA ARG 34 2.971 7.437 7.932 223 2HB ARG 34 2HB ARG 34 4.048 8.038 5.947 224 2HG ARG 34 2HG ARG 34 6.021 7.220 8.016 225 2HD ARG 34 2HD ARG 34 6.968 8.662 5.587 226 HE ARG 34 HE ARG 34 8.723 8.526 7.078 227 1HH1 ARG 34 2HH1 ARG 34 7.289 5.387 6.622 228 2HH1 ARG 34 1HH1 ARG 34 8.569 4.541 7.426 229 1HH2 ARG 34 2HH2 ARG 34 10.414 7.424 8.140 230 2HH2 ARG 34 1HH2 ARG 34 10.346 5.701 8.291 231 H GLN 35 H GLN 35 1.316 7.194 6.415 232 HA GLN 35 HA GLN 35 0.983 4.589 5.146 233 2HB GLN 35 2HB GLN 35 -0.337 3.946 6.869 234 2HG GLN 35 2HG GLN 35 -0.771 6.852 7.473 235 1HE2 GLN 35 1HE2 GLN 35 -0.989 4.426 9.862 236 2HE2 GLN 35 2HE2 GLN 35 -2.689 4.537 10.149 237 H GLY 36 H GLY 36 -0.496 4.580 3.398 238 1HA GLY 36 2HA GLY 36 -1.960 6.928 2.662 239 2HA GLY 36 1HA GLY 36 -0.477 6.764 1.733 240 H PHE 37 H PHE 37 -2.708 6.772 0.304 241 HA PHE 37 HA PHE 37 -3.759 4.111 -0.067 242 2HB PHE 37 2HB PHE 37 -4.913 5.217 -2.054 243 HD1 PHE 37 HD1 PHE 37 -6.763 4.254 -0.900 244 HD2 PHE 37 HD2 PHE 37 -4.837 7.731 0.623 245 HE1 PHE 37 HE1 PHE 37 -8.633 4.602 0.661 246 HE2 PHE 37 HE2 PHE 37 -6.703 8.084 2.187 247 HZ PHE 37 HZ PHE 37 -8.603 6.518 2.209 248 H VAL 38 H VAL 38 -2.918 2.588 -1.320 249 HA VAL 38 HA VAL 38 -1.121 3.390 -3.512 250 HB VAL 38 HB VAL 38 0.041 1.125 -3.017 251 1HG1 VAL 38 1HG1 VAL 38 0.689 3.683 -2.485 252 2HG1 VAL 38 2HG1 VAL 38 0.713 3.011 -0.854 253 3HG1 VAL 38 3HG1 VAL 38 1.733 2.312 -2.111 254 1HG2 VAL 38 1HG2 VAL 38 0.053 0.627 -0.552 255 2HG2 VAL 38 2HG2 VAL 38 -1.360 1.672 -0.408 256 3HG2 VAL 38 3HG2 VAL 38 -1.440 0.213 -1.395 257 HA PRO 39 HA PRO 39 -3.473 0.806 -6.167 258 2HB PRO 39 2HB PRO 39 -2.125 1.529 -7.882 259 2HG PRO 39 2HG PRO 39 0.150 1.877 -7.554 260 2HD PRO 39 2HD PRO 39 -0.693 3.061 -5.766 261 H ALA 40 H ALA 40 -4.358 -1.065 -5.571 262 HA ALA 40 HA ALA 40 -3.190 -3.052 -4.041 263 1HB ALA 40 1HB ALA 40 -5.312 -3.690 -4.010 264 2HB ALA 40 2HB ALA 40 -5.673 -2.659 -5.396 265 3HB ALA 40 3HB ALA 40 -5.127 -4.316 -5.649 266 H ALA 41 H ALA 41 -2.734 -2.376 -7.355 267 HA ALA 41 HA ALA 41 -2.081 -4.983 -8.273 268 1HB ALA 41 1HB ALA 41 -0.689 -2.868 -9.679 269 2HB ALA 41 2HB ALA 41 -1.934 -3.978 -10.253 270 3HB ALA 41 3HB ALA 41 -2.393 -2.486 -9.433 271 H TYR 42 H TYR 42 -0.326 -2.522 -6.557 272 HA TYR 42 HA TYR 42 2.246 -3.778 -7.044 273 2HB TYR 42 2HB TYR 42 3.034 -1.958 -5.428 274 HD1 TYR 42 HD1 TYR 42 0.627 -1.567 -8.260 275 HD2 TYR 42 HD2 TYR 42 4.400 -0.509 -6.601 276 HE1 TYR 42 HE1 TYR 42 1.169 -0.314 -10.305 277 HE2 TYR 42 HE2 TYR 42 4.952 0.748 -8.642 278 HH TYR 42 HH TYR 42 2.595 1.162 -11.238 279 H VAL 43 H VAL 43 -0.320 -4.234 -4.958 280 HA VAL 43 HA VAL 43 1.409 -5.678 -3.064 281 HB VAL 43 HB VAL 43 -0.217 -5.103 -1.251 282 1HG1 VAL 43 1HG1 VAL 43 0.579 -2.654 -1.108 283 2HG1 VAL 43 2HG1 VAL 43 1.792 -3.935 -1.127 284 3HG1 VAL 43 3HG1 VAL 43 1.459 -3.013 -2.593 285 1HG2 VAL 43 1HG2 VAL 43 -2.170 -4.452 -2.354 286 2HG2 VAL 43 2HG2 VAL 43 -1.520 -2.940 -1.718 287 3HG2 VAL 43 3HG2 VAL 43 -1.309 -3.343 -3.422 288 H LYS 44 H LYS 44 -0.169 -7.086 -1.593 289 HA LYS 44 HA LYS 44 -2.535 -8.100 -2.749 290 2HB LYS 44 2HB LYS 44 0.034 -9.476 -3.435 291 2HG LYS 44 2HG LYS 44 -1.860 -11.305 -4.158 292 2HD LYS 44 2HD LYS 44 -0.856 -12.753 -2.492 293 2HE LYS 44 2HE LYS 44 1.596 -11.355 -2.914 294 1HZ LYS 44 1HZ LYS 44 1.502 -13.697 -3.036 295 2HZ LYS 44 2HZ LYS 44 1.868 -13.164 -4.599 296 3HZ LYS 44 3HZ LYS 44 0.299 -13.675 -4.225 297 H LYS 45 H LYS 45 -3.618 -9.386 -1.327 298 HA LYS 45 HA LYS 45 -2.794 -9.456 1.351 299 2HB LYS 45 2HB LYS 45 -4.689 -11.463 1.139 300 2HG LYS 45 2HG LYS 45 -5.466 -8.569 1.200 301 2HD LYS 45 2HD LYS 45 -6.784 -9.857 3.196 302 2HE LYS 45 2HE LYS 45 -7.829 -9.927 0.384 303 1HZ LYS 45 1HZ LYS 45 -9.328 -10.674 2.086 304 2HZ LYS 45 2HZ LYS 45 -9.853 -9.170 1.517 305 3HZ LYS 45 3HZ LYS 45 -9.060 -9.280 3.007 306 H LEU 46 H LEU 46 -2.075 -11.133 2.676 307 HA LEU 46 HA LEU 46 -0.819 -13.374 1.237 308 2HB LEU 46 2HB LEU 46 0.780 -13.473 3.094 309 HG LEU 46 HG LEU 46 0.578 -10.777 1.776 310 1HD1 LEU 46 1HD1 LEU 46 3.180 -11.304 2.827 311 2HD1 LEU 46 2HD1 LEU 46 1.998 -11.371 4.135 312 3HD1 LEU 46 3HD1 LEU 46 2.116 -9.930 3.125 313 1HD2 LEU 46 1HD2 LEU 46 2.848 -12.589 1.317 314 2HD2 LEU 46 2HD2 LEU 46 1.914 -11.623 0.175 315 3HD2 LEU 46 3HD2 LEU 46 1.287 -13.172 0.740 316 H ASP 47 H ASP 47 -0.278 -15.160 3.086 317 HA ASP 47 HA ASP 47 -2.848 -15.742 4.410 318 2HB ASP 47 2HB ASP 47 -1.643 -18.204 3.982 319 H SER 48 H SER 48 -2.454 -15.313 6.501 320 HA SER 48 HA SER 48 0.070 -16.182 7.696 321 2HB SER 48 2HB SER 48 -0.880 -13.840 8.049 322 HG SER 48 HG SER 48 -2.477 -13.712 9.680 323 H GLY 49 H GLY 49 -3.396 -16.275 8.559 324 1HA GLY 49 2HA GLY 49 -4.206 -18.662 8.904 325 2HA GLY 49 1HA GLY 49 -2.850 -18.783 10.016 326 H THR 50 H THR 50 -2.852 -16.815 11.641 327 HA THR 50 HA THR 50 -4.900 -17.179 13.433 328 HB THR 50 HB THR 50 -2.810 -16.072 14.049 329 HG1 THR 50 HG1 THR 50 -4.760 -14.116 14.573 330 1HG2 THR 50 1HG2 THR 50 -2.287 -13.829 13.431 331 2HG2 THR 50 2HG2 THR 50 -3.859 -13.609 12.661 332 3HG2 THR 50 3HG2 THR 50 -2.669 -14.695 11.944 333 H GLY 51 H GLY 51 -4.580 -14.472 11.129 334 1HA GLY 51 2HA GLY 51 -6.807 -14.072 9.940 335 2HA GLY 51 1HA GLY 51 -7.435 -13.881 11.570 336 H LYS 52 H LYS 52 -4.278 -12.750 10.542 337 HA LYS 52 HA LYS 52 -4.976 -10.063 11.360 338 2HB LYS 52 2HB LYS 52 -2.617 -9.561 11.049 339 2HG LYS 52 2HG LYS 52 -1.968 -12.096 12.168 340 2HD LYS 52 2HD LYS 52 -1.477 -9.481 12.703 341 2HE LYS 52 2HE LYS 52 -3.661 -10.411 14.500 342 1HZ LYS 52 1HZ LYS 52 -2.417 -10.000 16.290 343 2HZ LYS 52 2HZ LYS 52 -2.565 -8.368 15.874 344 3HZ LYS 52 3HZ LYS 52 -1.192 -9.238 15.407 345 H GLU 53 H GLU 53 -4.371 -8.192 9.986 346 HA GLU 53 HA GLU 53 -5.131 -8.715 7.194 347 2HB GLU 53 2HB GLU 53 -6.088 -6.563 7.099 348 2HG GLU 53 2HG GLU 53 -7.297 -8.201 8.630 349 H LEU 54 H LEU 54 -3.037 -9.199 6.458 350 HA LEU 54 HA LEU 54 -1.236 -6.871 6.330 351 2HB LEU 54 2HB LEU 54 0.222 -8.150 7.428 352 HG LEU 54 HG LEU 54 -1.662 -9.902 7.858 353 1HD1 LEU 54 1HD1 LEU 54 -0.712 -10.757 5.339 354 2HD1 LEU 54 2HD1 LEU 54 -1.921 -11.520 6.368 355 3HD1 LEU 54 3HD1 LEU 54 -0.223 -11.966 6.526 356 1HD2 LEU 54 1HD2 LEU 54 1.237 -10.731 7.919 357 2HD2 LEU 54 2HD2 LEU 54 -0.065 -11.347 8.939 358 3HD2 LEU 54 3HD2 LEU 54 0.466 -9.672 9.100 359 H VAL 55 H VAL 55 0.001 -6.639 4.397 360 HA VAL 55 HA VAL 55 -0.778 -8.289 2.117 361 HB VAL 55 HB VAL 55 -0.903 -5.914 0.880 362 1HG1 VAL 55 1HG1 VAL 55 -2.569 -7.607 0.625 363 2HG1 VAL 55 2HG1 VAL 55 -3.143 -7.367 2.276 364 3HG1 VAL 55 3HG1 VAL 55 -3.387 -6.108 1.066 365 1HG2 VAL 55 1HG2 VAL 55 -2.167 -4.320 2.209 366 2HG2 VAL 55 2HG2 VAL 55 -2.081 -5.389 3.608 367 3HG2 VAL 55 3HG2 VAL 55 -0.612 -4.653 2.970 368 H LEU 56 H LEU 56 1.042 -8.895 1.166 369 HA LEU 56 HA LEU 56 3.531 -7.582 1.631 370 2HB LEU 56 2HB LEU 56 2.801 -9.739 -0.348 371 HG LEU 56 HG LEU 56 5.376 -8.480 0.175 372 1HD1 LEU 56 1HD1 LEU 56 5.592 -11.428 0.024 373 2HD1 LEU 56 2HD1 LEU 56 5.203 -10.727 1.594 374 3HD1 LEU 56 3HD1 LEU 56 6.676 -10.244 0.754 375 1HD2 LEU 56 1HD2 LEU 56 3.927 -9.448 -1.976 376 2HD2 LEU 56 2HD2 LEU 56 5.259 -10.591 -1.809 377 3HD2 LEU 56 3HD2 LEU 56 5.593 -8.869 -2.007 378 H ALA 57 H ALA 57 4.920 -6.641 0.040 379 HA ALA 57 HA ALA 57 3.426 -5.129 -1.971 380 1HB ALA 57 1HB ALA 57 5.843 -4.650 -0.373 381 2HB ALA 57 2HB ALA 57 5.921 -4.074 -2.038 382 3HB ALA 57 3HB ALA 57 4.631 -3.517 -0.971 383 H LEU 58 H LEU 58 3.328 -6.039 -3.917 384 HA LEU 58 HA LEU 58 5.265 -7.933 -4.842 385 2HB LEU 58 2HB LEU 58 3.873 -8.283 -6.644 386 HG LEU 58 HG LEU 58 1.864 -7.009 -4.790 387 1HD1 LEU 58 1HD1 LEU 58 0.338 -8.652 -5.765 388 2HD1 LEU 58 2HD1 LEU 58 1.622 -9.210 -6.837 389 3HD1 LEU 58 3HD1 LEU 58 0.995 -7.570 -6.993 390 1HD2 LEU 58 1HD2 LEU 58 2.399 -9.914 -4.698 391 2HD2 LEU 58 2HD2 LEU 58 1.933 -8.802 -3.411 392 3HD2 LEU 58 3HD2 LEU 58 3.608 -8.863 -3.961 393 H TYR 59 H TYR 59 4.597 -4.532 -5.426 394 HA TYR 59 HA TYR 59 7.120 -4.370 -6.932 395 2HB TYR 59 2HB TYR 59 6.203 -2.915 -8.536 396 HD1 TYR 59 HD1 TYR 59 2.954 -3.236 -8.835 397 HD2 TYR 59 HD2 TYR 59 6.307 -5.839 -8.544 398 HE1 TYR 59 HE1 TYR 59 1.705 -4.971 -10.052 399 HE2 TYR 59 HE2 TYR 59 5.068 -7.581 -9.762 400 HH TYR 59 HH TYR 59 2.073 -7.849 -10.043 401 H ASP 60 H ASP 60 8.011 -2.122 -6.979 402 HA ASP 60 HA ASP 60 7.903 -1.018 -4.299 403 2HB ASP 60 2HB ASP 60 9.713 0.541 -5.403 404 H TYR 61 H TYR 61 6.438 0.468 -3.813 405 HA TYR 61 HA TYR 61 5.669 2.416 -5.887 406 2HB TYR 61 2HB TYR 61 4.046 1.377 -3.554 407 HD1 TYR 61 HD1 TYR 61 3.629 3.731 -2.778 408 HD2 TYR 61 HD2 TYR 61 2.515 2.382 -6.656 409 HE1 TYR 61 HE1 TYR 61 2.096 5.642 -2.996 410 HE2 TYR 61 HE2 TYR 61 0.979 4.290 -6.885 411 HH TYR 61 HH TYR 61 0.564 6.435 -5.995 412 H GLN 62 H GLN 62 4.886 4.530 -4.956 413 HA GLN 62 HA GLN 62 6.150 5.272 -2.437 414 2HB GLN 62 2HB GLN 62 6.977 6.264 -5.130 415 2HG GLN 62 2HG GLN 62 6.170 8.270 -3.893 416 1HE2 GLN 62 1HE2 GLN 62 5.537 7.932 -1.740 417 2HE2 GLN 62 2HE2 GLN 62 6.629 8.197 -0.427 418 H GLU 63 H GLU 63 4.647 6.301 -1.313 419 HA GLU 63 HA GLU 63 2.634 7.883 -2.762 420 2HB GLU 63 2HB GLU 63 2.085 7.344 0.056 421 2HG GLU 63 2HG GLU 63 -0.056 7.044 -0.615 422 H SER 64 H SER 64 2.492 10.016 -2.443 423 HA SER 64 HA SER 64 4.218 11.202 -0.374 424 2HB SER 64 2HB SER 64 4.854 11.804 -2.670 425 HG SER 64 HG SER 64 3.085 13.399 -3.536 426 H GLY 65 H GLY 65 2.763 11.226 1.325 427 1HA GLY 65 2HA GLY 65 1.240 12.351 2.657 428 2HA GLY 65 1HA GLY 65 0.871 13.394 1.291 429 H ASP 66 H ASP 66 -0.133 10.731 3.163 430 HA ASP 66 HA ASP 66 -1.707 9.143 1.694 431 2HB ASP 66 2HB ASP 66 -2.038 10.349 4.379 432 H ASN 67 H ASN 67 -2.751 9.740 -0.111 433 HA ASN 67 HA ASN 67 -4.768 11.874 0.132 434 2HB ASN 67 2HB ASN 67 -3.580 11.238 -2.530 435 1HD2 ASN 67 1HD2 ASN 67 -4.465 13.725 -0.169 436 2HD2 ASN 67 2HD2 ASN 67 -5.222 14.781 -1.308 437 H ALA 68 H ALA 68 -6.674 11.621 -1.167 438 HA ALA 68 HA ALA 68 -7.621 8.926 -1.216 439 1HB ALA 68 1HB ALA 68 -8.795 11.589 -1.882 440 2HB ALA 68 2HB ALA 68 -9.634 10.115 -2.366 441 3HB ALA 68 3HB ALA 68 -9.291 10.416 -0.662 442 HA PRO 69 HA PRO 69 -6.418 7.845 -5.324 443 2HB PRO 69 2HB PRO 69 -6.641 5.662 -4.642 444 2HG PRO 69 2HG PRO 69 -8.260 5.049 -3.089 445 2HD PRO 69 2HD PRO 69 -7.304 6.831 -1.983 446 H SER 70 H SER 70 -7.398 9.898 -6.109 447 HA SER 70 HA SER 70 -10.105 9.702 -7.150 448 2HB SER 70 2HB SER 70 -8.461 12.037 -7.899 449 HG SER 70 HG SER 70 -10.860 11.998 -6.419 450 H TYR 71 H TYR 71 -7.153 8.677 -8.151 451 HA TYR 71 HA TYR 71 -7.967 8.794 -10.974 452 2HB TYR 71 2HB TYR 71 -6.232 10.396 -10.897 453 HD1 TYR 71 HD1 TYR 71 -4.766 7.348 -9.291 454 HD2 TYR 71 HD2 TYR 71 -4.800 11.595 -9.554 455 HE1 TYR 71 HE1 TYR 71 -3.082 7.466 -7.502 456 HE2 TYR 71 HE2 TYR 71 -3.115 11.725 -7.766 457 HH TYR 71 HH TYR 71 -2.193 8.952 -5.906 458 H SER 72 H SER 72 -6.594 7.178 -12.289 459 HA SER 72 HA SER 72 -6.994 4.599 -11.129 460 2HB SER 72 2HB SER 72 -7.415 4.716 -13.446 461 HG SER 72 HG SER 72 -5.594 5.395 -14.861 462 HA PRO 73 HA PRO 73 -3.037 3.705 -9.456 463 2HB PRO 73 2HB PRO 73 -3.898 1.679 -8.796 464 2HG PRO 73 2HG PRO 73 -5.392 0.514 -10.144 465 2HD PRO 73 2HD PRO 73 -6.393 2.590 -10.147 466 HA PRO 74 HA PRO 74 -0.032 4.091 -12.666 467 2HB PRO 74 2HB PRO 74 1.334 5.017 -11.067 468 2HG PRO 74 2HG PRO 74 1.274 4.278 -8.864 469 2HD PRO 74 2HD PRO 74 -0.977 4.615 -9.230 470 HA PRO 75 HA PRO 75 0.717 0.079 -14.323 471 2HB PRO 75 2HB PRO 75 1.210 1.139 -16.303 472 2HG PRO 75 2HG PRO 75 2.309 3.188 -16.325 473 2HD PRO 75 2HD PRO 75 0.641 3.649 -14.802 474 HA PRO 76 HA PRO 76 3.784 -1.539 -11.510 475 2HB PRO 76 2HB PRO 76 2.285 -3.231 -11.091 476 2HG PRO 76 2HG PRO 76 0.790 -3.939 -12.725 477 2HD PRO 76 2HD PRO 76 0.431 -1.664 -12.818 478 HA PRO 77 HA PRO 77 7.380 -2.411 -13.885 479 2HB PRO 77 2HB PRO 77 8.510 -2.747 -11.913 480 2HG PRO 77 2HG PRO 77 7.504 -3.841 -10.125 481 2HD PRO 77 2HD PRO 77 5.865 -2.298 -10.619 Start of MODEL 16 1 1H GLY 1 1H GLY 1 15.272 12.508 -2.050 2 1HA GLY 1 2HA GLY 1 14.110 11.706 -3.966 3 2HA GLY 1 1HA GLY 1 13.440 10.413 -2.982 4 H ALA 2 H ALA 2 11.305 10.631 -2.945 5 HA ALA 2 HA ALA 2 9.777 12.817 -3.515 6 1HB ALA 2 1HB ALA 2 8.703 10.725 -3.321 7 2HB ALA 2 2HB ALA 2 9.220 10.529 -1.646 8 3HB ALA 2 3HB ALA 2 8.008 11.742 -2.059 9 H MET 3 H MET 3 8.243 13.940 -1.890 10 HA MET 3 HA MET 3 9.755 14.807 0.479 11 2HB MET 3 2HB MET 3 8.286 17.033 -0.308 12 2HG MET 3 2HG MET 3 11.137 16.648 -1.130 13 1HE MET 3 1HE MET 3 9.948 19.734 1.505 14 2HE MET 3 2HE MET 3 8.635 20.095 0.385 15 3HE MET 3 3HE MET 3 8.789 18.477 1.071 16 H GLY 4 H GLY 4 8.454 15.694 2.203 17 1HA GLY 4 2HA GLY 4 6.080 16.216 2.857 18 2HA GLY 4 1HA GLY 4 5.685 14.666 2.126 19 HA PRO 5 HA PRO 5 7.181 14.398 6.703 20 2HB PRO 5 2HB PRO 5 6.001 16.109 7.682 21 2HG PRO 5 2HG PRO 5 4.073 16.955 6.694 22 2HD PRO 5 2HD PRO 5 5.505 17.019 4.889 23 H ARG 6 H ARG 6 4.288 13.375 5.006 24 HA ARG 6 HA ARG 6 4.514 10.746 6.316 25 2HB ARG 6 2HB ARG 6 2.199 10.514 6.452 26 2HG ARG 6 2HG ARG 6 2.789 13.422 6.915 27 2HD ARG 6 2HD ARG 6 0.522 12.371 8.359 28 HE ARG 6 HE ARG 6 1.274 14.829 7.402 29 1HH1 ARG 6 2HH1 ARG 6 -1.619 12.894 7.330 30 2HH1 ARG 6 1HH1 ARG 6 -2.687 14.256 7.288 31 1HH2 ARG 6 2HH2 ARG 6 -0.122 16.633 7.347 32 2HH2 ARG 6 1HH2 ARG 6 -1.834 16.383 7.298 33 H GLU 7 H GLU 7 5.627 9.662 4.765 34 HA GLU 7 HA GLU 7 4.337 9.466 2.124 35 2HB GLU 7 2HB GLU 7 6.639 9.075 1.190 36 2HG GLU 7 2HG GLU 7 6.961 11.729 2.366 37 H VAL 8 H VAL 8 3.648 7.486 1.692 38 HA VAL 8 HA VAL 8 4.815 5.227 3.166 39 HB VAL 8 HB VAL 8 2.268 5.801 3.184 40 1HG1 VAL 8 1HG1 VAL 8 2.107 5.922 0.711 41 2HG1 VAL 8 2HG1 VAL 8 2.436 4.190 0.641 42 3HG1 VAL 8 3HG1 VAL 8 0.974 4.779 1.433 43 1HG2 VAL 8 1HG2 VAL 8 1.794 3.264 3.147 44 2HG2 VAL 8 2HG2 VAL 8 3.530 3.101 2.877 45 3HG2 VAL 8 3HG2 VAL 8 2.935 3.893 4.336 46 H THR 9 H THR 9 6.085 3.856 2.118 47 HA THR 9 HA THR 9 5.768 3.580 -0.799 48 HB THR 9 HB THR 9 8.194 3.301 -1.019 49 HG1 THR 9 HG1 THR 9 9.479 3.249 0.692 50 1HG2 THR 9 1HG2 THR 9 8.476 5.803 0.283 51 2HG2 THR 9 2HG2 THR 9 6.838 5.724 -0.367 52 3HG2 THR 9 3HG2 THR 9 8.223 5.488 -1.433 53 H MET 10 H MET 10 5.994 1.537 -1.655 54 HA MET 10 HA MET 10 6.147 -0.646 0.314 55 2HB MET 10 2HB MET 10 4.577 -1.835 -0.877 56 2HG MET 10 2HG MET 10 2.838 -0.335 -1.832 57 1HE MET 10 1HE MET 10 3.297 2.466 -0.197 58 2HE MET 10 2HE MET 10 2.481 2.325 1.360 59 3HE MET 10 3HE MET 10 4.231 2.121 1.259 60 H LYS 11 H LYS 11 8.102 -1.541 0.317 61 HA LYS 11 HA LYS 11 9.694 -1.615 -2.120 62 2HB LYS 11 2HB LYS 11 10.634 -2.834 0.435 63 2HG LYS 11 2HG LYS 11 11.922 -1.102 -1.661 64 2HD LYS 11 2HD LYS 11 12.696 -1.670 1.096 65 2HE LYS 11 2HE LYS 11 14.022 -3.391 -0.164 66 1HZ LYS 11 1HZ LYS 11 14.707 -1.054 -1.708 67 2HZ LYS 11 2HZ LYS 11 14.808 -2.691 -2.119 68 3HZ LYS 11 3HZ LYS 11 16.045 -1.968 -1.220 69 H LYS 12 H LYS 12 9.759 -3.320 -3.418 70 HA LYS 12 HA LYS 12 8.230 -5.548 -3.317 71 2HB LYS 12 2HB LYS 12 11.032 -5.848 -4.332 72 2HG LYS 12 2HG LYS 12 8.354 -6.856 -5.060 73 2HD LYS 12 2HD LYS 12 10.370 -5.895 -7.042 74 2HE LYS 12 2HE LYS 12 8.692 -7.648 -8.412 75 1HZ LYS 12 1HZ LYS 12 11.404 -7.153 -8.153 76 2HZ LYS 12 2HZ LYS 12 10.638 -8.085 -9.339 77 3HZ LYS 12 3HZ LYS 12 11.215 -8.820 -7.929 78 H GLY 13 H GLY 13 7.999 -7.109 -1.863 79 1HA GLY 13 2HA GLY 13 8.736 -9.001 -0.671 80 2HA GLY 13 1HA GLY 13 10.378 -8.377 -0.738 81 H ASP 14 H ASP 14 7.304 -7.039 0.469 82 HA ASP 14 HA ASP 14 8.330 -7.050 3.183 83 2HB ASP 14 2HB ASP 14 7.307 -4.404 2.302 84 H ILE 15 H ILE 15 6.715 -6.689 4.770 85 HA ILE 15 HA ILE 15 3.991 -7.094 3.743 86 HB ILE 15 HB ILE 15 5.029 -7.681 6.516 87 2HG1 ILE 15 2HG1 ILE 15 5.825 -9.037 4.346 88 1HG2 ILE 15 1HG2 ILE 15 2.651 -9.075 5.568 89 2HG2 ILE 15 2HG2 ILE 15 2.946 -8.247 7.095 90 3HG2 ILE 15 3HG2 ILE 15 2.444 -7.327 5.677 91 1HD1 ILE 15 1HD1 ILE 15 6.578 -9.622 6.556 92 2HD1 ILE 15 2HD1 ILE 15 5.010 -10.335 6.935 93 3HD1 ILE 15 3HD1 ILE 15 6.040 -11.071 5.707 94 H LEU 16 H LEU 16 2.780 -5.325 3.732 95 HA LEU 16 HA LEU 16 3.176 -3.327 5.857 96 2HB LEU 16 2HB LEU 16 2.655 -1.650 4.391 97 HG LEU 16 HG LEU 16 4.451 -3.442 3.275 98 1HD1 LEU 16 1HD1 LEU 16 2.142 -3.019 1.482 99 2HD1 LEU 16 2HD1 LEU 16 3.301 -4.347 1.554 100 3HD1 LEU 16 3HD1 LEU 16 3.745 -2.832 0.769 101 1HD2 LEU 16 1HD2 LEU 16 5.213 -1.302 3.409 102 2HD2 LEU 16 2HD2 LEU 16 3.685 -0.602 2.874 103 3HD2 LEU 16 3HD2 LEU 16 4.781 -1.332 1.700 104 H THR 17 H THR 17 1.569 -2.917 7.239 105 HA THR 17 HA THR 17 -0.560 -4.512 7.718 106 HB THR 17 HB THR 17 -0.630 -1.514 8.111 107 HG1 THR 17 HG1 THR 17 0.315 -2.026 10.149 108 1HG2 THR 17 1HG2 THR 17 -1.943 -3.656 9.775 109 2HG2 THR 17 2HG2 THR 17 -2.765 -2.837 8.446 110 3HG2 THR 17 3HG2 THR 17 -2.205 -1.913 9.840 111 H LEU 18 H LEU 18 -2.488 -4.944 6.842 112 HA LEU 18 HA LEU 18 -3.207 -3.788 4.330 113 2HB LEU 18 2HB LEU 18 -4.940 -5.543 6.049 114 HG LEU 18 HG LEU 18 -5.288 -6.576 3.634 115 1HD1 LEU 18 1HD1 LEU 18 -6.903 -5.456 5.335 116 2HD1 LEU 18 2HD1 LEU 18 -7.392 -5.636 3.651 117 3HD1 LEU 18 3HD1 LEU 18 -6.809 -4.079 4.237 118 1HD2 LEU 18 1HD2 LEU 18 -5.004 -3.659 2.971 119 2HD2 LEU 18 2HD2 LEU 18 -5.257 -5.019 1.875 120 3HD2 LEU 18 3HD2 LEU 18 -3.705 -4.819 2.691 121 H LEU 19 H LEU 19 -3.179 -1.582 5.569 122 HA LEU 19 HA LEU 19 -5.196 -0.737 7.241 123 2HB LEU 19 2HB LEU 19 -4.916 1.467 5.767 124 HG LEU 19 HG LEU 19 -4.066 1.491 7.999 125 1HD1 LEU 19 1HD1 LEU 19 -1.767 0.469 8.418 126 2HD1 LEU 19 2HD1 LEU 19 -2.044 -0.461 6.946 127 3HD1 LEU 19 3HD1 LEU 19 -3.139 -0.635 8.317 128 1HD2 LEU 19 1HD2 LEU 19 -2.252 2.922 7.730 129 2HD2 LEU 19 2HD2 LEU 19 -3.087 3.032 6.181 130 3HD2 LEU 19 3HD2 LEU 19 -1.636 2.040 6.333 131 H ASN 20 H ASN 20 -6.803 1.115 6.293 132 HA ASN 20 HA ASN 20 -9.030 -0.115 5.351 133 2HB ASN 20 2HB ASN 20 -8.867 2.518 4.161 134 1HD2 ASN 20 1HD2 ASN 20 -11.007 1.652 3.816 135 2HD2 ASN 20 2HD2 ASN 20 -12.192 1.798 5.066 136 H SER 21 H SER 21 -8.924 -1.547 3.701 137 HA SER 21 HA SER 21 -7.715 -0.710 1.170 138 2HB SER 21 2HB SER 21 -8.428 -3.251 0.681 139 HG SER 21 HG SER 21 -6.192 -2.217 2.047 140 H THR 22 H THR 22 -10.294 0.323 2.163 141 HA THR 22 HA THR 22 -12.520 -0.804 0.974 142 HB THR 22 HB THR 22 -12.904 1.016 2.427 143 HG1 THR 22 HG1 THR 22 -13.946 2.584 0.910 144 1HG2 THR 22 1HG2 THR 22 -11.673 2.892 2.540 145 2HG2 THR 22 2HG2 THR 22 -11.774 3.170 0.801 146 3HG2 THR 22 3HG2 THR 22 -10.566 2.061 1.449 147 H ASN 23 H ASN 23 -10.395 1.705 -0.411 148 HA ASN 23 HA ASN 23 -11.629 1.889 -2.900 149 2HB ASN 23 2HB ASN 23 -8.887 2.291 -3.358 150 1HD2 ASN 23 1HD2 ASN 23 -9.885 3.404 -5.025 151 2HD2 ASN 23 2HD2 ASN 23 -10.613 4.955 -4.795 152 H LYS 24 H LYS 24 -12.009 0.282 -4.269 153 HA LYS 24 HA LYS 24 -10.636 -2.176 -4.296 154 2HB LYS 24 2HB LYS 24 -12.990 -1.535 -5.213 155 2HG LYS 24 2HG LYS 24 -11.526 -1.431 -7.822 156 2HD LYS 24 2HD LYS 24 -13.853 -0.091 -8.124 157 2HE LYS 24 2HE LYS 24 -12.768 -2.488 -8.989 158 1HZ LYS 24 1HZ LYS 24 -15.346 -2.941 -7.637 159 2HZ LYS 24 2HZ LYS 24 -13.968 -3.920 -7.658 160 3HZ LYS 24 3HZ LYS 24 -14.954 -3.819 -9.029 161 H ASP 25 H ASP 25 -10.087 0.834 -5.951 162 HA ASP 25 HA ASP 25 -8.082 -0.384 -7.698 163 2HB ASP 25 2HB ASP 25 -7.997 1.789 -8.814 164 H TRP 26 H TRP 26 -8.184 0.730 -4.631 165 HA TRP 26 HA TRP 26 -5.326 1.103 -4.535 166 2HB TRP 26 2HB TRP 26 -5.515 3.299 -3.323 167 HD1 TRP 26 HD1 TRP 26 -7.636 3.494 -6.548 168 HE1 TRP 26 HE1 TRP 26 -6.224 4.646 -8.365 169 HE3 TRP 26 HE3 TRP 26 -3.224 3.915 -4.001 170 HZ2 TRP 26 HZ2 TRP 26 -3.588 5.606 -8.678 171 HZ3 TRP 26 HZ3 TRP 26 -1.305 4.963 -5.131 172 HH2 TRP 26 HH2 TRP 26 -1.486 5.789 -7.421 173 H TRP 27 H TRP 27 -4.650 0.020 -2.815 174 HA TRP 27 HA TRP 27 -6.505 -0.335 -0.560 175 2HB TRP 27 2HB TRP 27 -4.619 -2.204 -0.096 176 HD1 TRP 27 HD1 TRP 27 -7.882 -1.427 -1.757 177 HE1 TRP 27 HE1 TRP 27 -9.373 -3.526 -1.779 178 HE3 TRP 27 HE3 TRP 27 -4.413 -4.901 -0.333 179 HZ2 TRP 27 HZ2 TRP 27 -9.112 -6.288 -1.261 180 HZ3 TRP 27 HZ3 TRP 27 -5.115 -7.249 -0.119 181 HH2 TRP 27 HH2 TRP 27 -7.416 -7.927 -0.573 182 H LYS 28 H LYS 28 -6.091 0.887 1.147 183 HA LYS 28 HA LYS 28 -3.684 2.325 1.513 184 2HB LYS 28 2HB LYS 28 -5.478 1.791 3.833 185 2HG LYS 28 2HG LYS 28 -4.736 4.474 2.756 186 2HD LYS 28 2HD LYS 28 -4.934 3.529 5.604 187 2HE LYS 28 2HE LYS 28 -5.201 6.221 4.267 188 1HZ LYS 28 1HZ LYS 28 -6.356 5.386 6.627 189 2HZ LYS 28 2HZ LYS 28 -6.160 6.980 6.097 190 3HZ LYS 28 3HZ LYS 28 -4.990 6.270 7.093 191 H VAL 29 H VAL 29 -1.886 1.911 2.679 192 HA VAL 29 HA VAL 29 -1.821 -0.382 4.483 193 HB VAL 29 HB VAL 29 0.197 -1.314 3.476 194 1HG1 VAL 29 1HG1 VAL 29 -0.847 -2.497 1.773 195 2HG1 VAL 29 2HG1 VAL 29 -2.205 -1.924 2.742 196 3HG1 VAL 29 3HG1 VAL 29 -1.783 -1.101 1.240 197 1HG2 VAL 29 1HG2 VAL 29 0.623 -0.480 1.034 198 2HG2 VAL 29 2HG2 VAL 29 -0.117 1.007 1.626 199 3HG2 VAL 29 3HG2 VAL 29 1.335 0.376 2.402 200 H GLU 30 H GLU 30 -0.365 -0.181 6.134 201 HA GLU 30 HA GLU 30 1.038 2.391 6.288 202 2HB GLU 30 2HB GLU 30 0.222 0.438 8.445 203 2HG GLU 30 2HG GLU 30 1.645 3.076 8.683 204 H VAL 31 H VAL 31 3.106 2.314 7.627 205 HA VAL 31 HA VAL 31 4.677 -0.078 6.919 206 HB VAL 31 HB VAL 31 6.367 2.227 7.088 207 1HG1 VAL 31 1HG1 VAL 31 5.762 0.022 5.226 208 2HG1 VAL 31 2HG1 VAL 31 6.500 1.457 4.512 209 3HG1 VAL 31 3HG1 VAL 31 7.312 0.608 5.829 210 1HG2 VAL 31 1HG2 VAL 31 3.932 2.507 5.361 211 2HG2 VAL 31 2HG2 VAL 31 4.665 3.688 6.446 212 3HG2 VAL 31 3HG2 VAL 31 5.457 3.279 4.924 213 H ASN 32 H ASN 32 4.557 2.791 9.018 214 HA ASN 32 HA ASN 32 4.961 1.363 11.395 215 2HB ASN 32 2HB ASN 32 7.279 1.267 10.139 216 1HD2 ASN 32 1HD2 ASN 32 7.806 2.980 8.780 217 2HD2 ASN 32 2HD2 ASN 32 8.554 4.421 9.373 218 H ASP 33 H ASP 33 5.215 4.351 9.612 219 HA ASP 33 HA ASP 33 4.062 5.770 11.889 220 2HB ASP 33 2HB ASP 33 6.237 7.166 10.393 221 H ARG 34 H ARG 34 4.857 5.668 8.471 222 HA ARG 34 HA ARG 34 2.911 7.789 7.924 223 2HB ARG 34 2HB ARG 34 3.888 8.000 5.775 224 2HG ARG 34 2HG ARG 34 5.820 7.685 7.987 225 2HD ARG 34 2HD ARG 34 6.939 8.414 5.337 226 HE ARG 34 HE ARG 34 8.545 6.823 7.035 227 1HH1 ARG 34 2HH1 ARG 34 7.171 10.010 6.764 228 2HH1 ARG 34 1HH1 ARG 34 8.417 10.768 7.700 229 1HH2 ARG 34 2HH2 ARG 34 10.190 7.810 8.268 230 2HH2 ARG 34 1HH2 ARG 34 10.135 9.516 8.553 231 H GLN 35 H GLN 35 1.922 7.250 5.529 232 HA GLN 35 HA GLN 35 1.175 4.693 4.829 233 2HB GLN 35 2HB GLN 35 -0.068 4.067 6.607 234 2HG GLN 35 2HG GLN 35 0.007 6.918 7.305 235 1HE2 GLN 35 1HE2 GLN 35 -1.237 5.461 9.864 236 2HE2 GLN 35 2HE2 GLN 35 -2.903 5.884 9.711 237 H GLY 36 H GLY 36 -1.197 4.756 3.767 238 1HA GLY 36 2HA GLY 36 -2.478 6.967 2.881 239 2HA GLY 36 1HA GLY 36 -1.044 6.930 1.866 240 H PHE 37 H PHE 37 -2.767 6.766 0.183 241 HA PHE 37 HA PHE 37 -3.917 4.089 -0.064 242 2HB PHE 37 2HB PHE 37 -5.077 5.136 -2.077 243 HD1 PHE 37 HD1 PHE 37 -5.538 7.981 -0.027 244 HD2 PHE 37 HD2 PHE 37 -6.487 3.844 -0.342 245 HE1 PHE 37 HE1 PHE 37 -7.435 8.303 1.506 246 HE2 PHE 37 HE2 PHE 37 -8.387 4.159 1.189 247 HZ PHE 37 HZ PHE 37 -8.863 6.391 2.115 248 H VAL 38 H VAL 38 -3.001 2.581 -1.282 249 HA VAL 38 HA VAL 38 -1.176 3.424 -3.437 250 HB VAL 38 HB VAL 38 -0.001 1.164 -2.915 251 1HG1 VAL 38 1HG1 VAL 38 1.208 2.469 -0.924 252 2HG1 VAL 38 2HG1 VAL 38 1.409 2.918 -2.618 253 3HG1 VAL 38 3HG1 VAL 38 0.272 3.802 -1.600 254 1HG2 VAL 38 1HG2 VAL 38 -1.372 0.171 -1.313 255 2HG2 VAL 38 2HG2 VAL 38 -0.034 0.819 -0.363 256 3HG2 VAL 38 3HG2 VAL 38 -1.575 1.675 -0.415 257 HA PRO 39 HA PRO 39 -3.402 0.804 -6.166 258 2HB PRO 39 2HB PRO 39 -2.006 1.538 -7.837 259 2HG PRO 39 2HG PRO 39 0.254 1.911 -7.434 260 2HD PRO 39 2HD PRO 39 -0.662 3.089 -5.677 261 H ALA 40 H ALA 40 -4.286 -1.033 -5.447 262 HA ALA 40 HA ALA 40 -3.088 -3.021 -3.948 263 1HB ALA 40 1HB ALA 40 -5.607 -2.550 -4.738 264 2HB ALA 40 2HB ALA 40 -5.215 -3.909 -5.793 265 3HB ALA 40 3HB ALA 40 -5.081 -4.083 -4.043 266 H ALA 41 H ALA 41 -2.724 -2.369 -7.277 267 HA ALA 41 HA ALA 41 -2.128 -4.980 -8.211 268 1HB ALA 41 1HB ALA 41 -0.699 -3.033 -9.719 269 2HB ALA 41 2HB ALA 41 -2.159 -3.921 -10.158 270 3HB ALA 41 3HB ALA 41 -2.286 -2.379 -9.310 271 H TYR 42 H TYR 42 -0.292 -2.556 -6.528 272 HA TYR 42 HA TYR 42 2.242 -3.885 -7.058 273 2HB TYR 42 2HB TYR 42 3.131 -2.056 -5.524 274 HD1 TYR 42 HD1 TYR 42 4.493 -0.703 -6.804 275 HD2 TYR 42 HD2 TYR 42 0.578 -1.585 -8.216 276 HE1 TYR 42 HE1 TYR 42 4.975 0.517 -8.884 277 HE2 TYR 42 HE2 TYR 42 1.049 -0.368 -10.301 278 HH TYR 42 HH TYR 42 2.550 0.769 -11.469 279 H VAL 43 H VAL 43 -0.289 -4.194 -4.891 280 HA VAL 43 HA VAL 43 1.449 -5.615 -2.983 281 HB VAL 43 HB VAL 43 -0.334 -5.023 -1.242 282 1HG1 VAL 43 1HG1 VAL 43 0.690 -2.647 -1.009 283 2HG1 VAL 43 2HG1 VAL 43 1.738 -4.062 -0.876 284 3HG1 VAL 43 3HG1 VAL 43 1.688 -3.138 -2.378 285 1HG2 VAL 43 1HG2 VAL 43 -1.346 -2.715 -1.780 286 2HG2 VAL 43 2HG2 VAL 43 -1.054 -3.145 -3.465 287 3HG2 VAL 43 3HG2 VAL 43 -2.109 -4.148 -2.469 288 H LYS 44 H LYS 44 -0.051 -7.051 -1.510 289 HA LYS 44 HA LYS 44 -2.431 -8.104 -2.607 290 2HB LYS 44 2HB LYS 44 0.124 -9.595 -3.199 291 2HG LYS 44 2HG LYS 44 -2.561 -10.750 -3.792 292 2HD LYS 44 2HD LYS 44 -0.655 -11.732 -4.903 293 2HE LYS 44 2HE LYS 44 0.597 -11.324 -2.313 294 1HZ LYS 44 1HZ LYS 44 0.157 -13.877 -2.547 295 2HZ LYS 44 2HZ LYS 44 1.651 -13.303 -2.002 296 3HZ LYS 44 3HZ LYS 44 1.472 -13.802 -3.609 297 H LYS 45 H LYS 45 -3.477 -9.328 -1.123 298 HA LYS 45 HA LYS 45 -2.646 -9.371 1.527 299 2HB LYS 45 2HB LYS 45 -4.410 -11.561 1.148 300 2HG LYS 45 2HG LYS 45 -5.446 -8.824 1.691 301 2HD LYS 45 2HD LYS 45 -6.333 -10.377 3.674 302 2HE LYS 45 2HE LYS 45 -7.415 -9.270 1.413 303 1HZ LYS 45 1HZ LYS 45 -7.574 -12.178 1.215 304 2HZ LYS 45 2HZ LYS 45 -7.584 -11.009 -0.007 305 3HZ LYS 45 3HZ LYS 45 -8.988 -11.308 0.887 306 H LEU 46 H LEU 46 -1.952 -11.063 2.905 307 HA LEU 46 HA LEU 46 -0.458 -13.180 1.503 308 2HB LEU 46 2HB LEU 46 0.983 -13.204 3.552 309 HG LEU 46 HG LEU 46 0.895 -10.661 1.949 310 1HD1 LEU 46 1HD1 LEU 46 2.178 -11.074 4.465 311 2HD1 LEU 46 2HD1 LEU 46 2.216 -9.657 3.416 312 3HD1 LEU 46 3HD1 LEU 46 3.402 -10.945 3.203 313 1HD2 LEU 46 1HD2 LEU 46 3.228 -12.423 1.864 314 2HD2 LEU 46 2HD2 LEU 46 2.313 -11.683 0.551 315 3HD2 LEU 46 3HD2 LEU 46 1.738 -13.175 1.297 316 H ASP 47 H ASP 47 -0.138 -15.190 2.780 317 HA ASP 47 HA ASP 47 -2.605 -15.848 4.241 318 2HB ASP 47 2HB ASP 47 -1.239 -18.221 3.569 319 H SER 48 H SER 48 -2.221 -15.598 6.360 320 HA SER 48 HA SER 48 0.266 -16.721 7.463 321 2HB SER 48 2HB SER 48 -1.558 -14.780 8.880 322 HG SER 48 HG SER 48 0.351 -16.080 9.817 323 H GLY 49 H GLY 49 -3.230 -16.463 8.012 324 1HA GLY 49 2HA GLY 49 -4.641 -18.161 8.778 325 2HA GLY 49 1HA GLY 49 -3.227 -19.122 9.181 326 H THR 50 H THR 50 -3.820 -15.807 10.210 327 HA THR 50 HA THR 50 -4.146 -16.790 12.970 328 HB THR 50 HB THR 50 -2.860 -14.918 13.807 329 HG1 THR 50 HG1 THR 50 -3.466 -13.563 11.885 330 1HG2 THR 50 1HG2 THR 50 -1.796 -17.083 12.573 331 2HG2 THR 50 2HG2 THR 50 -0.846 -15.876 13.439 332 3HG2 THR 50 3HG2 THR 50 -1.005 -15.781 11.686 333 H GLY 51 H GLY 51 -5.254 -14.740 10.457 334 1HA GLY 51 2HA GLY 51 -7.462 -13.855 10.457 335 2HA GLY 51 1HA GLY 51 -7.407 -13.796 12.213 336 H LYS 52 H LYS 52 -4.693 -12.636 10.409 337 HA LYS 52 HA LYS 52 -5.339 -9.909 11.279 338 2HB LYS 52 2HB LYS 52 -2.896 -9.486 10.790 339 2HG LYS 52 2HG LYS 52 -2.686 -11.705 12.662 340 2HD LYS 52 2HD LYS 52 -1.470 -9.305 12.304 341 2HE LYS 52 2HE LYS 52 -3.610 -8.974 14.380 342 1HZ LYS 52 1HZ LYS 52 -2.292 -6.945 15.037 343 2HZ LYS 52 2HZ LYS 52 -0.958 -7.663 14.288 344 3HZ LYS 52 3HZ LYS 52 -1.701 -8.425 15.602 345 H GLU 53 H GLU 53 -4.745 -8.121 9.827 346 HA GLU 53 HA GLU 53 -5.323 -8.829 7.031 347 2HB GLU 53 2HB GLU 53 -6.437 -6.800 6.771 348 2HG GLU 53 2HG GLU 53 -6.917 -7.192 9.705 349 H LEU 54 H LEU 54 -3.261 -9.187 6.272 350 HA LEU 54 HA LEU 54 -1.483 -6.836 6.267 351 2HB LEU 54 2HB LEU 54 -0.100 -8.180 7.415 352 HG LEU 54 HG LEU 54 -1.773 -10.009 7.741 353 1HD1 LEU 54 1HD1 LEU 54 -2.402 -11.221 5.996 354 2HD1 LEU 54 2HD1 LEU 54 -0.778 -11.904 5.921 355 3HD1 LEU 54 3HD1 LEU 54 -1.175 -10.466 4.980 356 1HD2 LEU 54 1HD2 LEU 54 0.071 -10.586 8.904 357 2HD2 LEU 54 2HD2 LEU 54 1.150 -10.325 7.535 358 3HD2 LEU 54 3HD2 LEU 54 0.220 -11.819 7.653 359 H VAL 55 H VAL 55 0.008 -6.767 4.392 360 HA VAL 55 HA VAL 55 -0.837 -8.240 2.032 361 HB VAL 55 HB VAL 55 -0.860 -5.923 0.795 362 1HG1 VAL 55 1HG1 VAL 55 -3.193 -6.938 2.417 363 2HG1 VAL 55 2HG1 VAL 55 -3.303 -5.853 1.028 364 3HG1 VAL 55 3HG1 VAL 55 -2.709 -7.502 0.819 365 1HG2 VAL 55 1HG2 VAL 55 -0.298 -4.578 2.742 366 2HG2 VAL 55 2HG2 VAL 55 -1.903 -4.156 2.143 367 3HG2 VAL 55 3HG2 VAL 55 -1.735 -5.163 3.581 368 H LEU 56 H LEU 56 0.953 -8.882 1.047 369 HA LEU 56 HA LEU 56 3.499 -7.698 1.640 370 2HB LEU 56 2HB LEU 56 2.700 -9.868 -0.294 371 HG LEU 56 HG LEU 56 5.352 -8.703 0.206 372 1HD1 LEU 56 1HD1 LEU 56 5.065 -11.039 1.460 373 2HD1 LEU 56 2HD1 LEU 56 6.552 -10.574 0.635 374 3HD1 LEU 56 3HD1 LEU 56 5.393 -11.636 -0.165 375 1HD2 LEU 56 1HD2 LEU 56 5.059 -10.654 -1.918 376 2HD2 LEU 56 2HD2 LEU 56 5.495 -8.947 -2.003 377 3HD2 LEU 56 3HD2 LEU 56 3.797 -9.422 -1.968 378 H ALA 57 H ALA 57 4.980 -6.845 0.075 379 HA ALA 57 HA ALA 57 3.617 -5.247 -1.956 380 1HB ALA 57 1HB ALA 57 5.958 -4.167 -2.090 381 2HB ALA 57 2HB ALA 57 4.966 -3.871 -0.663 382 3HB ALA 57 3HB ALA 57 6.275 -5.049 -0.595 383 H LEU 58 H LEU 58 3.485 -6.068 -3.935 384 HA LEU 58 HA LEU 58 5.332 -8.092 -4.849 385 2HB LEU 58 2HB LEU 58 3.874 -8.463 -6.603 386 HG LEU 58 HG LEU 58 2.013 -7.239 -4.568 387 1HD1 LEU 58 1HD1 LEU 58 0.454 -8.989 -5.599 388 2HD1 LEU 58 2HD1 LEU 58 1.580 -8.998 -6.956 389 3HD1 LEU 58 3HD1 LEU 58 0.749 -7.508 -6.511 390 1HD2 LEU 58 1HD2 LEU 58 2.069 -9.176 -3.384 391 2HD2 LEU 58 2HD2 LEU 58 3.713 -9.210 -4.021 392 3HD2 LEU 58 3HD2 LEU 58 2.446 -10.162 -4.797 393 H TYR 59 H TYR 59 4.545 -4.738 -5.643 394 HA TYR 59 HA TYR 59 7.032 -4.617 -7.219 395 2HB TYR 59 2HB TYR 59 6.041 -3.246 -8.825 396 HD1 TYR 59 HD1 TYR 59 2.836 -3.330 -9.047 397 HD2 TYR 59 HD2 TYR 59 5.907 -6.222 -8.489 398 HE1 TYR 59 HE1 TYR 59 1.399 -5.045 -10.069 399 HE2 TYR 59 HE2 TYR 59 4.479 -7.944 -9.511 400 HH TYR 59 HH TYR 59 2.191 -8.399 -9.977 401 H ASP 60 H ASP 60 7.706 -2.204 -7.490 402 HA ASP 60 HA ASP 60 7.907 -1.117 -4.794 403 2HB ASP 60 2HB ASP 60 10.017 -1.234 -5.813 404 H TYR 61 H TYR 61 6.974 0.722 -4.123 405 HA TYR 61 HA TYR 61 5.808 2.540 -6.101 406 2HB TYR 61 2HB TYR 61 4.286 1.422 -3.735 407 HD1 TYR 61 HD1 TYR 61 2.603 2.301 -6.784 408 HD2 TYR 61 HD2 TYR 61 3.867 3.815 -3.013 409 HE1 TYR 61 HE1 TYR 61 1.005 4.159 -7.000 410 HE2 TYR 61 HE2 TYR 61 2.273 5.676 -3.220 411 HH TYR 61 HH TYR 61 1.030 6.756 -5.795 412 H GLN 62 H GLN 62 5.084 4.608 -5.080 413 HA GLN 62 HA GLN 62 6.283 5.258 -2.522 414 2HB GLN 62 2HB GLN 62 7.327 6.283 -5.138 415 2HG GLN 62 2HG GLN 62 6.638 8.261 -3.764 416 1HE2 GLN 62 1HE2 GLN 62 5.962 7.814 -1.642 417 2HE2 GLN 62 2HE2 GLN 62 7.060 7.902 -0.311 418 H GLU 63 H GLU 63 4.824 6.428 -1.482 419 HA GLU 63 HA GLU 63 3.045 8.177 -3.049 420 2HB GLU 63 2HB GLU 63 2.115 7.601 -0.362 421 2HG GLU 63 2HG GLU 63 0.165 6.640 -1.685 422 H SER 64 H SER 64 2.363 10.172 -2.037 423 HA SER 64 HA SER 64 4.240 11.171 -0.000 424 2HB SER 64 2HB SER 64 4.841 11.966 -2.307 425 HG SER 64 HG SER 64 2.868 13.834 -2.390 426 H GLY 65 H GLY 65 2.721 10.990 1.643 427 1HA GLY 65 2HA GLY 65 1.157 11.950 3.050 428 2HA GLY 65 1HA GLY 65 0.860 13.172 1.823 429 H ASP 66 H ASP 66 -0.407 10.519 3.411 430 HA ASP 66 HA ASP 66 -1.887 9.025 1.749 431 2HB ASP 66 2HB ASP 66 -2.675 10.321 4.346 432 H ASN 67 H ASN 67 -2.729 9.705 -0.130 433 HA ASN 67 HA ASN 67 -4.661 11.928 -0.028 434 2HB ASN 67 2HB ASN 67 -2.780 12.723 -1.270 435 1HD2 ASN 67 1HD2 ASN 67 -3.918 9.945 -3.165 436 2HD2 ASN 67 2HD2 ASN 67 -2.346 9.408 -3.638 437 H ALA 68 H ALA 68 -6.649 11.526 -0.792 438 HA ALA 68 HA ALA 68 -7.581 8.954 -1.242 439 1HB ALA 68 1HB ALA 68 -9.563 10.171 -2.335 440 2HB ALA 68 2HB ALA 68 -9.195 10.524 -0.646 441 3HB ALA 68 3HB ALA 68 -8.703 11.651 -1.909 442 HA PRO 69 HA PRO 69 -6.277 8.030 -5.359 443 2HB PRO 69 2HB PRO 69 -6.558 5.824 -4.781 444 2HG PRO 69 2HG PRO 69 -8.232 5.175 -3.302 445 2HD PRO 69 2HD PRO 69 -7.277 6.889 -2.092 446 H SER 70 H SER 70 -7.198 10.134 -6.080 447 HA SER 70 HA SER 70 -9.885 10.087 -7.156 448 2HB SER 70 2HB SER 70 -8.890 12.401 -8.101 449 HG SER 70 HG SER 70 -9.498 12.096 -5.352 450 H TYR 71 H TYR 71 -6.973 8.926 -8.174 451 HA TYR 71 HA TYR 71 -7.813 9.055 -10.988 452 2HB TYR 71 2HB TYR 71 -6.021 10.600 -10.924 453 HD1 TYR 71 HD1 TYR 71 -4.615 7.483 -9.398 454 HD2 TYR 71 HD2 TYR 71 -4.546 11.733 -9.571 455 HE1 TYR 71 HE1 TYR 71 -2.894 7.521 -7.642 456 HE2 TYR 71 HE2 TYR 71 -2.823 11.783 -7.817 457 HH TYR 71 HH TYR 71 -1.256 10.470 -6.737 458 H SER 72 H SER 72 -6.512 7.385 -12.308 459 HA SER 72 HA SER 72 -6.984 4.828 -11.120 460 2HB SER 72 2HB SER 72 -7.444 4.993 -13.444 461 HG SER 72 HG SER 72 -4.766 5.870 -13.798 462 HA PRO 73 HA PRO 73 -3.028 3.846 -9.493 463 2HB PRO 73 2HB PRO 73 -3.960 1.890 -8.728 464 2HG PRO 73 2HG PRO 73 -5.543 0.743 -9.989 465 2HD PRO 73 2HD PRO 73 -6.447 2.863 -10.049 466 HA PRO 74 HA PRO 74 -0.090 3.954 -12.785 467 2HB PRO 74 2HB PRO 74 1.371 4.846 -11.251 468 2HG PRO 74 2HG PRO 74 1.331 4.174 -9.025 469 2HD PRO 74 2HD PRO 74 -0.906 4.630 -9.343 470 HA PRO 75 HA PRO 75 0.345 -0.152 -14.328 471 2HB PRO 75 2HB PRO 75 0.758 0.812 -16.373 472 2HG PRO 75 2HG PRO 75 1.940 2.808 -16.541 473 2HD PRO 75 2HD PRO 75 0.392 3.398 -14.938 474 HA PRO 76 HA PRO 76 3.509 -1.807 -11.645 475 2HB PRO 76 2HB PRO 76 1.970 -3.414 -11.075 476 2HG PRO 76 2HG PRO 76 0.348 -4.112 -12.589 477 2HD PRO 76 2HD PRO 76 0.080 -1.828 -12.745 478 HA PRO 77 HA PRO 77 6.912 -2.918 -14.198 479 2HB PRO 77 2HB PRO 77 8.147 -3.235 -12.286 480 2HG PRO 77 2HG PRO 77 7.208 -4.220 -10.402 481 2HD PRO 77 2HD PRO 77 5.607 -2.625 -10.855 Start of MODEL 17 1 1H GLY 1 1H GLY 1 9.416 18.714 2.493 2 1HA GLY 1 2HA GLY 1 11.023 18.321 0.709 3 2HA GLY 1 1HA GLY 1 11.074 16.637 1.208 4 H ALA 2 H ALA 2 9.744 15.215 0.249 5 HA ALA 2 HA ALA 2 8.438 15.798 -2.120 6 1HB ALA 2 1HB ALA 2 8.241 13.588 -2.222 7 2HB ALA 2 2HB ALA 2 8.935 13.512 -0.603 8 3HB ALA 2 3HB ALA 2 7.184 13.560 -0.811 9 H MET 3 H MET 3 5.917 14.777 -2.114 10 HA MET 3 HA MET 3 4.401 16.984 -1.086 11 2HB MET 3 2HB MET 3 2.698 14.875 -1.982 12 2HG MET 3 2HG MET 3 3.579 17.232 -3.611 13 1HE MET 3 1HE MET 3 0.978 17.828 -5.823 14 2HE MET 3 2HE MET 3 2.677 17.885 -5.355 15 3HE MET 3 3HE MET 3 2.093 16.589 -6.400 16 H GLY 4 H GLY 4 3.146 17.084 0.692 17 1HA GLY 4 2HA GLY 4 2.054 16.437 2.613 18 2HA GLY 4 1HA GLY 4 2.104 14.785 2.017 19 HA PRO 5 HA PRO 5 5.384 15.789 5.409 20 2HB PRO 5 2HB PRO 5 4.133 16.960 6.939 21 2HG PRO 5 2HG PRO 5 1.814 16.777 6.984 22 2HD PRO 5 2HD PRO 5 2.135 17.192 4.740 23 H ARG 6 H ARG 6 2.822 13.423 5.081 24 HA ARG 6 HA ARG 6 4.652 11.350 6.100 25 2HB ARG 6 2HB ARG 6 2.517 11.742 7.405 26 2HG ARG 6 2HG ARG 6 1.048 10.114 5.423 27 2HD ARG 6 2HD ARG 6 0.144 10.649 7.652 28 HE ARG 6 HE ARG 6 0.760 13.367 6.950 29 1HH1 ARG 6 2HH1 ARG 6 -1.283 11.297 8.863 30 2HH1 ARG 6 1HH1 ARG 6 -1.633 12.515 10.045 31 1HH2 ARG 6 2HH2 ARG 6 0.308 14.979 8.499 32 2HH2 ARG 6 1HH2 ARG 6 -0.728 14.610 9.836 33 H GLU 7 H GLU 7 5.582 10.431 4.379 34 HA GLU 7 HA GLU 7 3.880 9.758 2.072 35 2HB GLU 7 2HB GLU 7 5.544 11.138 1.215 36 2HG GLU 7 2HG GLU 7 7.394 9.827 3.163 37 H VAL 8 H VAL 8 3.339 7.691 1.942 38 HA VAL 8 HA VAL 8 4.947 5.682 3.324 39 HB VAL 8 HB VAL 8 2.468 5.756 3.646 40 1HG1 VAL 8 1HG1 VAL 8 2.464 4.899 0.756 41 2HG1 VAL 8 2HG1 VAL 8 1.072 4.778 1.834 42 3HG1 VAL 8 3HG1 VAL 8 1.747 6.359 1.438 43 1HG2 VAL 8 1HG2 VAL 8 2.149 3.322 3.429 44 2HG2 VAL 8 2HG2 VAL 8 3.611 3.233 2.446 45 3HG2 VAL 8 3HG2 VAL 8 3.713 3.732 4.134 46 H THR 9 H THR 9 6.062 4.095 2.323 47 HA THR 9 HA THR 9 5.887 3.938 -0.614 48 HB THR 9 HB THR 9 8.278 3.618 -0.775 49 HG1 THR 9 HG1 THR 9 9.553 3.405 0.971 50 1HG2 THR 9 1HG2 THR 9 7.274 5.958 -0.625 51 2HG2 THR 9 2HG2 THR 9 9.008 5.818 -0.330 52 3HG2 THR 9 3HG2 THR 9 7.894 5.999 1.025 53 H MET 10 H MET 10 6.219 1.906 -1.547 54 HA MET 10 HA MET 10 6.136 -0.347 0.351 55 2HB MET 10 2HB MET 10 4.654 -1.504 -1.066 56 2HG MET 10 2HG MET 10 2.753 -0.220 -1.176 57 1HE MET 10 1HE MET 10 1.998 2.277 1.731 58 2HE MET 10 2HE MET 10 2.587 2.977 0.223 59 3HE MET 10 3HE MET 10 1.452 1.626 0.185 60 H LYS 11 H LYS 11 7.779 -1.722 0.252 61 HA LYS 11 HA LYS 11 9.540 -1.638 -2.096 62 2HB LYS 11 2HB LYS 11 10.460 -3.152 0.242 63 2HG LYS 11 2HG LYS 11 11.992 -0.806 -0.462 64 2HD LYS 11 2HD LYS 11 12.746 -3.654 -1.006 65 2HE LYS 11 2HE LYS 11 14.710 -2.259 0.422 66 1HZ LYS 11 1HZ LYS 11 15.080 -3.847 -1.375 67 2HZ LYS 11 2HZ LYS 11 15.941 -2.414 -1.633 68 3HZ LYS 11 3HZ LYS 11 14.523 -2.718 -2.506 69 H LYS 12 H LYS 12 9.958 -3.417 -3.304 70 HA LYS 12 HA LYS 12 8.126 -5.489 -3.468 71 2HB LYS 12 2HB LYS 12 10.984 -5.866 -4.312 72 2HG LYS 12 2HG LYS 12 8.377 -6.930 -5.118 73 2HD LYS 12 2HD LYS 12 10.369 -5.919 -7.131 74 2HE LYS 12 2HE LYS 12 8.163 -7.807 -7.848 75 1HZ LYS 12 1HZ LYS 12 10.731 -7.793 -9.204 76 2HZ LYS 12 2HZ LYS 12 9.817 -6.378 -9.360 77 3HZ LYS 12 3HZ LYS 12 9.167 -7.863 -9.845 78 H GLY 13 H GLY 13 7.673 -6.952 -1.957 79 1HA GLY 13 2HA GLY 13 8.156 -8.942 -0.788 80 2HA GLY 13 1HA GLY 13 9.864 -8.529 -0.837 81 H ASP 14 H ASP 14 7.233 -6.438 0.234 82 HA ASP 14 HA ASP 14 8.312 -6.600 2.971 83 2HB ASP 14 2HB ASP 14 7.061 -4.046 2.226 84 H ILE 15 H ILE 15 6.859 -6.709 4.618 85 HA ILE 15 HA ILE 15 4.081 -7.164 3.860 86 HB ILE 15 HB ILE 15 5.398 -7.561 6.549 87 2HG1 ILE 15 2HG1 ILE 15 6.180 -8.948 4.469 88 1HG2 ILE 15 1HG2 ILE 15 2.698 -7.485 5.835 89 2HG2 ILE 15 2HG2 ILE 15 3.092 -9.194 6.008 90 3HG2 ILE 15 3HG2 ILE 15 3.389 -8.081 7.344 91 1HD1 ILE 15 1HD1 ILE 15 5.375 -10.917 6.452 92 2HD1 ILE 15 2HD1 ILE 15 6.983 -10.455 5.892 93 3HD1 ILE 15 3HD1 ILE 15 6.180 -9.508 7.144 94 H LEU 16 H LEU 16 3.010 -5.274 3.665 95 HA LEU 16 HA LEU 16 3.283 -3.283 5.807 96 2HB LEU 16 2HB LEU 16 2.707 -1.648 4.316 97 HG LEU 16 HG LEU 16 4.531 -3.423 3.202 98 1HD1 LEU 16 1HD1 LEU 16 3.796 -2.829 0.701 99 2HD1 LEU 16 2HD1 LEU 16 2.202 -3.030 1.426 100 3HD1 LEU 16 3HD1 LEU 16 3.373 -4.347 1.494 101 1HD2 LEU 16 1HD2 LEU 16 4.742 -1.278 1.600 102 2HD2 LEU 16 2HD2 LEU 16 5.315 -1.306 3.268 103 3HD2 LEU 16 3HD2 LEU 16 3.746 -0.595 2.885 104 H THR 17 H THR 17 1.712 -3.035 7.249 105 HA THR 17 HA THR 17 -0.397 -4.670 7.676 106 HB THR 17 HB THR 17 -0.297 -1.707 8.263 107 HG1 THR 17 HG1 THR 17 1.287 -3.307 9.195 108 1HG2 THR 17 1HG2 THR 17 -2.611 -2.652 8.303 109 2HG2 THR 17 2HG2 THR 17 -2.052 -2.057 9.866 110 3HG2 THR 17 3HG2 THR 17 -2.071 -3.789 9.537 111 H LEU 18 H LEU 18 -2.234 -5.153 6.673 112 HA LEU 18 HA LEU 18 -3.029 -3.846 4.285 113 2HB LEU 18 2HB LEU 18 -4.703 -5.718 5.945 114 HG LEU 18 HG LEU 18 -5.063 -6.570 3.422 115 1HD1 LEU 18 1HD1 LEU 18 -7.237 -5.736 3.590 116 2HD1 LEU 18 2HD1 LEU 18 -6.721 -4.315 4.496 117 3HD1 LEU 18 3HD1 LEU 18 -6.706 -5.902 5.264 118 1HD2 LEU 18 1HD2 LEU 18 -3.784 -4.813 2.384 119 2HD2 LEU 18 2HD2 LEU 18 -4.712 -3.581 3.240 120 3HD2 LEU 18 3HD2 LEU 18 -5.492 -4.579 2.013 121 H LEU 19 H LEU 19 -3.101 -1.661 5.366 122 HA LEU 19 HA LEU 19 -5.045 -0.895 7.196 123 2HB LEU 19 2HB LEU 19 -4.882 1.314 5.670 124 HG LEU 19 HG LEU 19 -4.053 1.411 7.909 125 1HD1 LEU 19 1HD1 LEU 19 -1.709 0.490 8.350 126 2HD1 LEU 19 2HD1 LEU 19 -1.961 -0.490 6.906 127 3HD1 LEU 19 3HD1 LEU 19 -3.043 -0.661 8.288 128 1HD2 LEU 19 1HD2 LEU 19 -3.184 3.051 6.246 129 2HD2 LEU 19 2HD2 LEU 19 -1.748 2.043 6.072 130 3HD2 LEU 19 3HD2 LEU 19 -2.118 2.791 7.627 131 H ASN 20 H ASN 20 -6.744 0.914 6.335 132 HA ASN 20 HA ASN 20 -8.971 -0.373 5.473 133 2HB ASN 20 2HB ASN 20 -9.033 2.236 4.292 134 1HD2 ASN 20 1HD2 ASN 20 -11.176 2.195 4.288 135 2HD2 ASN 20 2HD2 ASN 20 -12.176 1.975 5.680 136 H SER 21 H SER 21 -9.207 -1.644 3.757 137 HA SER 21 HA SER 21 -7.909 -0.922 1.234 138 2HB SER 21 2HB SER 21 -7.455 -3.174 1.846 139 HG SER 21 HG SER 21 -9.759 -4.395 1.944 140 H THR 22 H THR 22 -10.450 0.249 2.437 141 HA THR 22 HA THR 22 -12.807 -0.359 1.382 142 HB THR 22 HB THR 22 -12.930 2.221 0.694 143 HG1 THR 22 HG1 THR 22 -10.431 2.030 1.303 144 1HG2 THR 22 1HG2 THR 22 -14.120 1.136 2.561 145 2HG2 THR 22 2HG2 THR 22 -13.499 2.725 3.007 146 3HG2 THR 22 3HG2 THR 22 -12.666 1.269 3.548 147 H ASN 23 H ASN 23 -10.483 1.566 -0.530 148 HA ASN 23 HA ASN 23 -11.901 1.356 -2.949 149 2HB ASN 23 2HB ASN 23 -9.180 1.649 -3.601 150 1HD2 ASN 23 1HD2 ASN 23 -9.557 2.828 -5.323 151 2HD2 ASN 23 2HD2 ASN 23 -10.553 4.238 -5.396 152 H LYS 24 H LYS 24 -11.387 0.151 -4.854 153 HA LYS 24 HA LYS 24 -10.535 -2.567 -4.235 154 2HB LYS 24 2HB LYS 24 -12.635 -1.738 -5.652 155 2HG LYS 24 2HG LYS 24 -10.494 -2.128 -7.733 156 2HD LYS 24 2HD LYS 24 -13.410 -2.456 -7.786 157 2HE LYS 24 2HE LYS 24 -12.121 -0.365 -9.364 158 1HZ LYS 24 1HZ LYS 24 -12.435 -1.134 -11.402 159 2HZ LYS 24 2HZ LYS 24 -14.025 -1.596 -11.056 160 3HZ LYS 24 3HZ LYS 24 -12.748 -2.667 -10.759 161 H ASP 25 H ASP 25 -9.786 0.004 -6.570 162 HA ASP 25 HA ASP 25 -7.508 -1.441 -7.599 163 2HB ASP 25 2HB ASP 25 -7.139 0.707 -8.897 164 H TRP 26 H TRP 26 -8.125 0.691 -5.023 165 HA TRP 26 HA TRP 26 -5.230 1.057 -4.626 166 2HB TRP 26 2HB TRP 26 -5.812 3.246 -3.502 167 HD1 TRP 26 HD1 TRP 26 -7.669 3.220 -6.871 168 HE1 TRP 26 HE1 TRP 26 -6.209 4.432 -8.609 169 HE3 TRP 26 HE3 TRP 26 -3.464 3.922 -4.050 170 HZ2 TRP 26 HZ2 TRP 26 -3.617 5.540 -8.764 171 HZ3 TRP 26 HZ3 TRP 26 -1.538 5.066 -5.068 172 HH2 TRP 26 HH2 TRP 26 -1.615 5.857 -7.376 173 H TRP 27 H TRP 27 -4.623 -0.074 -2.911 174 HA TRP 27 HA TRP 27 -6.525 -0.411 -0.691 175 2HB TRP 27 2HB TRP 27 -4.624 -2.242 -0.146 176 HD1 TRP 27 HD1 TRP 27 -7.868 -1.545 -1.869 177 HE1 TRP 27 HE1 TRP 27 -9.327 -3.665 -1.881 178 HE3 TRP 27 HE3 TRP 27 -4.369 -4.946 -0.346 179 HZ2 TRP 27 HZ2 TRP 27 -9.034 -6.415 -1.317 180 HZ3 TRP 27 HZ3 TRP 27 -5.039 -7.302 -0.106 181 HH2 TRP 27 HH2 TRP 27 -7.324 -8.018 -0.583 182 H LYS 28 H LYS 28 -6.147 0.718 1.087 183 HA LYS 28 HA LYS 28 -3.812 2.281 1.450 184 2HB LYS 28 2HB LYS 28 -5.635 1.605 3.726 185 2HG LYS 28 2HG LYS 28 -4.772 4.325 2.821 186 2HD LYS 28 2HD LYS 28 -5.361 3.253 5.576 187 2HE LYS 28 2HE LYS 28 -4.718 5.901 4.407 188 1HZ LYS 28 1HZ LYS 28 -7.073 5.980 5.331 189 2HZ LYS 28 2HZ LYS 28 -5.968 7.111 5.932 190 3HZ LYS 28 3HZ LYS 28 -6.369 5.750 6.852 191 H VAL 29 H VAL 29 -1.974 1.910 2.555 192 HA VAL 29 HA VAL 29 -1.799 -0.381 4.356 193 HB VAL 29 HB VAL 29 0.176 -1.292 3.319 194 1HG1 VAL 29 1HG1 VAL 29 -2.259 -1.741 2.440 195 2HG1 VAL 29 2HG1 VAL 29 -1.634 -0.986 0.973 196 3HG1 VAL 29 3HG1 VAL 29 -0.859 -2.432 1.621 197 1HG2 VAL 29 1HG2 VAL 29 1.320 0.522 2.403 198 2HG2 VAL 29 2HG2 VAL 29 0.788 -0.388 0.989 199 3HG2 VAL 29 3HG2 VAL 29 -0.083 1.064 1.483 200 H GLU 30 H GLU 30 -0.347 -0.120 5.996 201 HA GLU 30 HA GLU 30 0.863 2.526 6.223 202 2HB GLU 30 2HB GLU 30 0.274 0.329 8.190 203 2HG GLU 30 2HG GLU 30 1.925 2.795 8.670 204 H VAL 31 H VAL 31 3.051 2.719 7.142 205 HA VAL 31 HA VAL 31 4.816 0.449 6.594 206 HB VAL 31 HB VAL 31 5.174 3.193 5.382 207 1HG1 VAL 31 1HG1 VAL 31 7.324 2.505 6.108 208 2HG1 VAL 31 2HG1 VAL 31 7.058 0.852 5.551 209 3HG1 VAL 31 3HG1 VAL 31 7.244 2.158 4.381 210 1HG2 VAL 31 1HG2 VAL 31 5.038 2.074 3.260 211 2HG2 VAL 31 2HG2 VAL 31 4.952 0.497 4.046 212 3HG2 VAL 31 3HG2 VAL 31 3.620 1.641 4.215 213 H ASN 32 H ASN 32 5.153 0.307 8.828 214 HA ASN 32 HA ASN 32 6.284 0.680 10.767 215 2HB ASN 32 2HB ASN 32 8.253 2.177 10.710 216 1HD2 ASN 32 1HD2 ASN 32 6.900 0.275 8.076 217 2HD2 ASN 32 2HD2 ASN 32 8.295 -0.713 7.830 218 H ASP 33 H ASP 33 6.270 3.979 9.430 219 HA ASP 33 HA ASP 33 4.372 4.777 11.519 220 2HB ASP 33 2HB ASP 33 5.776 6.868 11.851 221 H ARG 34 H ARG 34 5.028 4.632 8.345 222 HA ARG 34 HA ARG 34 3.526 7.101 7.768 223 2HB ARG 34 2HB ARG 34 4.758 7.461 5.801 224 2HG ARG 34 2HG ARG 34 6.540 6.550 8.013 225 2HD ARG 34 2HD ARG 34 7.284 6.998 5.199 226 HE ARG 34 HE ARG 34 8.365 8.747 7.150 227 1HH1 ARG 34 2HH1 ARG 34 9.257 6.735 4.453 228 2HH1 ARG 34 1HH1 ARG 34 10.655 7.674 4.048 229 1HH2 ARG 34 2HH2 ARG 34 10.203 9.992 6.626 230 2HH2 ARG 34 1HH2 ARG 34 11.194 9.525 5.285 231 H GLN 35 H GLN 35 1.623 6.816 6.808 232 HA GLN 35 HA GLN 35 1.146 4.301 5.353 233 2HB GLN 35 2HB GLN 35 -0.637 3.791 6.610 234 2HG GLN 35 2HG GLN 35 0.131 6.101 8.377 235 1HE2 GLN 35 1HE2 GLN 35 -2.509 5.143 7.930 236 2HE2 GLN 35 2HE2 GLN 35 -3.040 4.385 9.388 237 H GLY 36 H GLY 36 -0.794 4.458 3.879 238 1HA GLY 36 2HA GLY 36 -1.940 6.825 3.017 239 2HA GLY 36 1HA GLY 36 -0.435 6.668 2.124 240 H PHE 37 H PHE 37 -2.617 6.745 0.631 241 HA PHE 37 HA PHE 37 -3.698 4.112 0.161 242 2HB PHE 37 2HB PHE 37 -4.711 5.336 -1.881 243 HD1 PHE 37 HD1 PHE 37 -6.542 4.132 -0.854 244 HD2 PHE 37 HD2 PHE 37 -4.984 7.684 0.899 245 HE1 PHE 37 HE1 PHE 37 -8.535 4.295 0.578 246 HE2 PHE 37 HE2 PHE 37 -6.975 7.852 2.335 247 HZ PHE 37 HZ PHE 37 -8.753 6.156 2.177 248 H VAL 38 H VAL 38 -3.071 2.658 -1.327 249 HA VAL 38 HA VAL 38 -1.178 3.465 -3.411 250 HB VAL 38 HB VAL 38 0.119 1.323 -2.948 251 1HG1 VAL 38 1HG1 VAL 38 1.671 2.493 -1.748 252 2HG1 VAL 38 2HG1 VAL 38 0.636 3.824 -2.268 253 3HG1 VAL 38 3HG1 VAL 38 0.475 3.164 -0.640 254 1HG2 VAL 38 1HG2 VAL 38 0.053 0.475 -0.658 255 2HG2 VAL 38 2HG2 VAL 38 -1.263 1.586 -0.276 256 3HG2 VAL 38 3HG2 VAL 38 -1.514 0.290 -1.447 257 HA PRO 39 HA PRO 39 -3.517 0.816 -6.016 258 2HB PRO 39 2HB PRO 39 -2.256 1.615 -7.762 259 2HG PRO 39 2HG PRO 39 0.010 2.064 -7.499 260 2HD PRO 39 2HD PRO 39 -0.833 3.192 -5.674 261 H ALA 40 H ALA 40 -4.296 -1.082 -5.354 262 HA ALA 40 HA ALA 40 -2.978 -3.031 -3.906 263 1HB ALA 40 1HB ALA 40 -5.432 -3.082 -5.612 264 2HB ALA 40 2HB ALA 40 -4.828 -4.567 -4.877 265 3HB ALA 40 3HB ALA 40 -5.284 -3.201 -3.859 266 H ALA 41 H ALA 41 -2.751 -2.340 -7.249 267 HA ALA 41 HA ALA 41 -2.055 -4.887 -8.245 268 1HB ALA 41 1HB ALA 41 -2.426 -3.599 -10.042 269 2HB ALA 41 2HB ALA 41 -1.955 -2.120 -9.203 270 3HB ALA 41 3HB ALA 41 -0.720 -3.177 -9.888 271 H TYR 42 H TYR 42 -0.271 -2.470 -6.499 272 HA TYR 42 HA TYR 42 2.292 -3.718 -7.084 273 2HB TYR 42 2HB TYR 42 3.130 -1.908 -5.483 274 HD1 TYR 42 HD1 TYR 42 0.655 -1.511 -8.253 275 HD2 TYR 42 HD2 TYR 42 4.463 -0.446 -6.682 276 HE1 TYR 42 HE1 TYR 42 1.145 -0.254 -10.309 277 HE2 TYR 42 HE2 TYR 42 4.963 0.816 -8.733 278 HH TYR 42 HH TYR 42 2.553 1.184 -11.297 279 H VAL 43 H VAL 43 -0.215 -4.230 -4.964 280 HA VAL 43 HA VAL 43 1.570 -5.626 -3.086 281 HB VAL 43 HB VAL 43 -0.292 -5.136 -1.349 282 1HG1 VAL 43 1HG1 VAL 43 1.835 -3.267 -2.306 283 2HG1 VAL 43 2HG1 VAL 43 0.797 -2.806 -0.956 284 3HG1 VAL 43 3HG1 VAL 43 1.789 -4.261 -0.850 285 1HG2 VAL 43 1HG2 VAL 43 -0.887 -3.154 -3.510 286 2HG2 VAL 43 2HG2 VAL 43 -1.999 -4.128 -2.548 287 3HG2 VAL 43 3HG2 VAL 43 -1.184 -2.744 -1.820 288 H LYS 44 H LYS 44 0.072 -7.116 -1.630 289 HA LYS 44 HA LYS 44 -2.230 -8.230 -2.892 290 2HB LYS 44 2HB LYS 44 0.003 -10.203 -2.794 291 2HG LYS 44 2HG LYS 44 -2.358 -9.825 -4.625 292 2HD LYS 44 2HD LYS 44 -0.705 -10.824 -5.970 293 2HE LYS 44 2HE LYS 44 0.141 -12.095 -3.428 294 1HZ LYS 44 1HZ LYS 44 0.206 -13.440 -6.044 295 2HZ LYS 44 2HZ LYS 44 -0.084 -14.094 -4.512 296 3HZ LYS 44 3HZ LYS 44 1.488 -13.658 -4.962 297 H LYS 45 H LYS 45 -3.268 -9.793 -1.605 298 HA LYS 45 HA LYS 45 -2.713 -9.582 1.183 299 2HB LYS 45 2HB LYS 45 -4.522 -11.695 0.805 300 2HG LYS 45 2HG LYS 45 -5.630 -8.959 0.910 301 2HD LYS 45 2HD LYS 45 -6.421 -10.269 3.145 302 2HE LYS 45 2HE LYS 45 -7.497 -9.683 0.557 303 1HZ LYS 45 1HZ LYS 45 -7.955 -12.378 1.523 304 2HZ LYS 45 2HZ LYS 45 -8.118 -11.744 -0.036 305 3HZ LYS 45 3HZ LYS 45 -9.349 -11.517 1.103 306 H LEU 46 H LEU 46 -2.118 -11.220 2.638 307 HA LEU 46 HA LEU 46 -0.756 -13.524 1.403 308 2HB LEU 46 2HB LEU 46 0.934 -13.412 3.087 309 HG LEU 46 HG LEU 46 0.425 -10.711 1.879 310 1HD1 LEU 46 1HD1 LEU 46 2.050 -11.285 4.164 311 2HD1 LEU 46 2HD1 LEU 46 1.794 -9.751 3.332 312 3HD1 LEU 46 3HD1 LEU 46 3.075 -10.838 2.800 313 1HD2 LEU 46 1HD2 LEU 46 1.739 -11.414 0.212 314 2HD2 LEU 46 2HD2 LEU 46 1.433 -13.034 0.838 315 3HD2 LEU 46 3HD2 LEU 46 2.894 -12.164 1.313 316 H ASP 47 H ASP 47 -0.196 -15.115 3.418 317 HA ASP 47 HA ASP 47 -2.824 -15.749 4.572 318 2HB ASP 47 2HB ASP 47 -0.978 -17.898 4.904 319 H SER 48 H SER 48 -3.112 -15.350 6.654 320 HA SER 48 HA SER 48 -0.748 -15.251 8.409 321 2HB SER 48 2HB SER 48 -1.544 -13.154 8.763 322 HG SER 48 HG SER 48 -4.251 -13.620 8.459 323 H GLY 49 H GLY 49 -4.108 -16.329 8.165 324 1HA GLY 49 2HA GLY 49 -4.885 -18.394 9.010 325 2HA GLY 49 1HA GLY 49 -3.505 -18.442 10.097 326 H THR 50 H THR 50 -3.515 -16.651 11.794 327 HA THR 50 HA THR 50 -5.606 -16.965 13.530 328 HB THR 50 HB THR 50 -3.581 -15.994 14.339 329 HG1 THR 50 HG1 THR 50 -4.506 -14.542 15.657 330 1HG2 THR 50 1HG2 THR 50 -3.169 -14.759 12.116 331 2HG2 THR 50 2HG2 THR 50 -2.619 -13.989 13.605 332 3HG2 THR 50 3HG2 THR 50 -4.110 -13.451 12.832 333 H GLY 51 H GLY 51 -5.240 -14.479 11.037 334 1HA GLY 51 2HA GLY 51 -7.476 -13.945 9.978 335 2HA GLY 51 1HA GLY 51 -7.997 -13.597 11.619 336 H LYS 52 H LYS 52 -4.767 -12.749 10.882 337 HA LYS 52 HA LYS 52 -5.229 -10.000 11.389 338 2HB LYS 52 2HB LYS 52 -2.793 -9.843 10.464 339 2HG LYS 52 2HG LYS 52 -1.896 -11.081 12.514 340 2HD LYS 52 2HD LYS 52 -3.416 -8.645 12.268 341 2HE LYS 52 2HE LYS 52 -3.448 -10.002 14.964 342 1HZ LYS 52 1HZ LYS 52 -4.870 -7.559 14.792 343 2HZ LYS 52 2HZ LYS 52 -3.246 -7.309 14.390 344 3HZ LYS 52 3HZ LYS 52 -3.652 -8.009 15.877 345 H GLU 53 H GLU 53 -3.986 -8.425 9.714 346 HA GLU 53 HA GLU 53 -5.024 -8.965 7.020 347 2HB GLU 53 2HB GLU 53 -6.197 -6.987 6.865 348 2HG GLU 53 2HG GLU 53 -6.407 -7.188 9.843 349 H LEU 54 H LEU 54 -2.997 -9.312 6.173 350 HA LEU 54 HA LEU 54 -1.199 -6.978 6.174 351 2HB LEU 54 2HB LEU 54 0.274 -8.325 7.166 352 HG LEU 54 HG LEU 54 -1.483 -10.624 6.400 353 1HD1 LEU 54 1HD1 LEU 54 0.093 -12.226 6.919 354 2HD1 LEU 54 2HD1 LEU 54 1.132 -11.084 7.768 355 3HD1 LEU 54 3HD1 LEU 54 1.051 -11.059 6.007 356 1HD2 LEU 54 1HD2 LEU 54 -0.919 -10.952 8.977 357 2HD2 LEU 54 2HD2 LEU 54 -2.205 -9.880 8.422 358 3HD2 LEU 54 3HD2 LEU 54 -0.633 -9.215 8.867 359 H VAL 55 H VAL 55 0.248 -6.896 4.249 360 HA VAL 55 HA VAL 55 -0.673 -8.293 1.882 361 HB VAL 55 HB VAL 55 -0.767 -5.918 0.726 362 1HG1 VAL 55 1HG1 VAL 55 -3.175 -5.984 0.877 363 2HG1 VAL 55 2HG1 VAL 55 -2.550 -7.632 0.776 364 3HG1 VAL 55 3HG1 VAL 55 -3.089 -6.985 2.326 365 1HG2 VAL 55 1HG2 VAL 55 -0.240 -4.634 2.715 366 2HG2 VAL 55 2HG2 VAL 55 -1.876 -4.262 2.172 367 3HG2 VAL 55 3HG2 VAL 55 -1.628 -5.325 3.557 368 H LEU 56 H LEU 56 1.122 -8.910 0.893 369 HA LEU 56 HA LEU 56 3.653 -7.691 1.413 370 2HB LEU 56 2HB LEU 56 2.980 -9.684 -0.743 371 HG LEU 56 HG LEU 56 5.252 -10.598 -0.260 372 1HD1 LEU 56 1HD1 LEU 56 5.912 -9.475 -2.055 373 2HD1 LEU 56 2HD1 LEU 56 6.010 -7.968 -1.146 374 3HD1 LEU 56 3HD1 LEU 56 4.483 -8.459 -1.878 375 1HD2 LEU 56 1HD2 LEU 56 5.286 -9.234 1.978 376 2HD2 LEU 56 2HD2 LEU 56 5.968 -7.971 0.954 377 3HD2 LEU 56 3HD2 LEU 56 6.777 -9.534 1.085 378 H ALA 57 H ALA 57 5.052 -6.694 -0.113 379 HA ALA 57 HA ALA 57 3.609 -5.065 -2.059 380 1HB ALA 57 1HB ALA 57 6.023 -4.747 -0.450 381 2HB ALA 57 2HB ALA 57 6.204 -4.192 -2.114 382 3HB ALA 57 3HB ALA 57 4.922 -3.531 -1.099 383 H LEU 58 H LEU 58 3.383 -5.995 -3.996 384 HA LEU 58 HA LEU 58 5.239 -7.893 -5.050 385 2HB LEU 58 2HB LEU 58 3.818 -8.030 -6.926 386 HG LEU 58 HG LEU 58 1.938 -7.258 -4.695 387 1HD1 LEU 58 1HD1 LEU 58 0.242 -8.119 -5.907 388 2HD1 LEU 58 2HD1 LEU 58 1.262 -9.329 -6.685 389 3HD1 LEU 58 3HD1 LEU 58 1.274 -7.663 -7.262 390 1HD2 LEU 58 1HD2 LEU 58 3.736 -9.045 -4.239 391 2HD2 LEU 58 2HD2 LEU 58 2.816 -10.045 -5.363 392 3HD2 LEU 58 3HD2 LEU 58 2.052 -9.439 -3.893 393 H TYR 59 H TYR 59 4.550 -4.480 -5.653 394 HA TYR 59 HA TYR 59 7.067 -4.329 -7.176 395 2HB TYR 59 2HB TYR 59 6.134 -2.913 -8.783 396 HD1 TYR 59 HD1 TYR 59 2.883 -3.069 -9.006 397 HD2 TYR 59 HD2 TYR 59 6.081 -5.856 -8.675 398 HE1 TYR 59 HE1 TYR 59 1.511 -4.769 -10.136 399 HE2 TYR 59 HE2 TYR 59 4.718 -7.563 -9.804 400 HH TYR 59 HH TYR 59 2.375 -8.065 -10.224 401 H ASP 60 H ASP 60 7.648 -1.847 -7.406 402 HA ASP 60 HA ASP 60 7.787 -0.842 -4.668 403 2HB ASP 60 2HB ASP 60 9.922 -0.950 -5.680 404 H TYR 61 H TYR 61 6.801 0.963 -3.984 405 HA TYR 61 HA TYR 61 5.595 2.753 -5.978 406 2HB TYR 61 2HB TYR 61 4.195 1.746 -3.493 407 HD1 TYR 61 HD1 TYR 61 2.418 2.428 -6.550 408 HD2 TYR 61 HD2 TYR 61 3.725 4.142 -2.882 409 HE1 TYR 61 HE1 TYR 61 0.783 4.246 -6.823 410 HE2 TYR 61 HE2 TYR 61 2.094 5.963 -3.145 411 HH TYR 61 HH TYR 61 0.825 7.062 -4.875 412 H GLN 62 H GLN 62 4.854 4.838 -4.951 413 HA GLN 62 HA GLN 62 6.230 5.589 -2.512 414 2HB GLN 62 2HB GLN 62 6.843 7.580 -4.510 415 2HG GLN 62 2HG GLN 62 9.228 6.905 -3.804 416 1HE2 GLN 62 1HE2 GLN 62 6.434 7.337 -1.654 417 2HE2 GLN 62 2HE2 GLN 62 6.956 8.848 -0.999 418 H GLU 63 H GLU 63 4.605 6.488 -1.427 419 HA GLU 63 HA GLU 63 2.718 8.217 -2.868 420 2HB GLU 63 2HB GLU 63 2.089 7.603 -0.079 421 2HG GLU 63 2HG GLU 63 -0.047 7.421 -0.799 422 H SER 64 H SER 64 2.641 10.345 -2.499 423 HA SER 64 HA SER 64 4.380 11.424 -0.385 424 2HB SER 64 2HB SER 64 4.913 12.078 -2.731 425 HG SER 64 HG SER 64 2.249 12.886 -2.635 426 H GLY 65 H GLY 65 2.711 11.080 1.214 427 1HA GLY 65 2HA GLY 65 1.322 12.310 2.666 428 2HA GLY 65 1HA GLY 65 0.886 13.358 1.324 429 H ASP 66 H ASP 66 0.009 10.649 3.193 430 HA ASP 66 HA ASP 66 -1.561 9.032 1.752 431 2HB ASP 66 2HB ASP 66 -1.988 10.274 4.438 432 H ASN 67 H ASN 67 -2.674 9.617 -0.015 433 HA ASN 67 HA ASN 67 -4.741 11.692 0.307 434 2HB ASN 67 2HB ASN 67 -3.619 11.114 -2.397 435 1HD2 ASN 67 1HD2 ASN 67 -4.484 13.553 0.023 436 2HD2 ASN 67 2HD2 ASN 67 -5.300 14.605 -1.079 437 H ALA 68 H ALA 68 -6.663 11.407 -0.982 438 HA ALA 68 HA ALA 68 -7.523 8.672 -1.036 439 1HB ALA 68 1HB ALA 68 -8.835 11.300 -1.604 440 2HB ALA 68 2HB ALA 68 -9.638 9.788 -2.025 441 3HB ALA 68 3HB ALA 68 -9.201 10.116 -0.349 442 HA PRO 69 HA PRO 69 -6.476 7.762 -5.226 443 2HB PRO 69 2HB PRO 69 -6.604 5.553 -4.610 444 2HG PRO 69 2HG PRO 69 -8.135 4.839 -3.012 445 2HD PRO 69 2HD PRO 69 -7.185 6.614 -1.888 446 H SER 70 H SER 70 -7.393 9.659 -6.175 447 HA SER 70 HA SER 70 -10.191 9.467 -7.020 448 2HB SER 70 2HB SER 70 -9.150 11.579 -5.948 449 HG SER 70 HG SER 70 -7.953 12.846 -7.244 450 H TYR 71 H TYR 71 -7.246 8.547 -8.135 451 HA TYR 71 HA TYR 71 -8.151 8.697 -10.927 452 2HB TYR 71 2HB TYR 71 -6.466 10.340 -10.896 453 HD1 TYR 71 HD1 TYR 71 -4.918 7.350 -9.266 454 HD2 TYR 71 HD2 TYR 71 -5.000 11.589 -9.630 455 HE1 TYR 71 HE1 TYR 71 -3.208 7.529 -7.507 456 HE2 TYR 71 HE2 TYR 71 -3.290 11.779 -7.873 457 HH TYR 71 HH TYR 71 -1.809 8.903 -6.431 458 H SER 72 H SER 72 -6.776 7.150 -12.319 459 HA SER 72 HA SER 72 -7.101 4.535 -11.249 460 2HB SER 72 2HB SER 72 -5.796 3.965 -13.467 461 HG SER 72 HG SER 72 -8.377 5.065 -13.210 462 HA PRO 73 HA PRO 73 -3.171 3.680 -9.497 463 2HB PRO 73 2HB PRO 73 -4.013 1.627 -8.897 464 2HG PRO 73 2HG PRO 73 -5.458 0.468 -10.303 465 2HD PRO 73 2HD PRO 73 -6.491 2.528 -10.285 466 HA PRO 74 HA PRO 74 -0.098 4.174 -12.627 467 2HB PRO 74 2HB PRO 74 1.222 5.075 -10.976 468 2HG PRO 74 2HG PRO 74 1.122 4.281 -8.793 469 2HD PRO 74 2HD PRO 74 -1.123 4.602 -9.201 470 HA PRO 75 HA PRO 75 0.690 0.196 -14.354 471 2HB PRO 75 2HB PRO 75 1.117 1.295 -16.326 472 2HG PRO 75 2HG PRO 75 2.159 3.374 -16.338 473 2HD PRO 75 2HD PRO 75 0.506 3.767 -14.781 474 HA PRO 76 HA PRO 76 3.851 -1.361 -11.605 475 2HB PRO 76 2HB PRO 76 2.398 -3.083 -11.155 476 2HG PRO 76 2HG PRO 76 0.877 -3.818 -12.753 477 2HD PRO 76 2HD PRO 76 0.469 -1.551 -12.832 478 HA PRO 77 HA PRO 77 7.404 -2.155 -14.070 479 2HB PRO 77 2HB PRO 77 8.590 -2.471 -12.128 480 2HG PRO 77 2HG PRO 77 7.650 -3.588 -10.318 481 2HD PRO 77 2HD PRO 77 5.967 -2.078 -10.769 Start of MODEL 18 1 1H GLY 1 1H GLY 1 7.893 24.183 -3.003 2 1HA GLY 1 2HA GLY 1 5.541 23.447 -2.805 3 2HA GLY 1 1HA GLY 1 5.890 22.304 -4.092 4 H ALA 2 H ALA 2 4.783 21.395 -1.780 5 HA ALA 2 HA ALA 2 6.714 19.466 -0.938 6 1HB ALA 2 1HB ALA 2 5.840 20.576 1.539 7 2HB ALA 2 2HB ALA 2 7.484 20.371 0.934 8 3HB ALA 2 3HB ALA 2 6.590 21.847 0.573 9 H MET 3 H MET 3 5.441 17.741 -1.180 10 HA MET 3 HA MET 3 2.637 17.754 -0.784 11 2HB MET 3 2HB MET 3 2.890 15.242 -0.947 12 2HG MET 3 2HG MET 3 3.297 17.180 -2.952 13 1HE MET 3 1HE MET 3 5.074 14.566 -5.761 14 2HE MET 3 2HE MET 3 4.026 13.743 -4.605 15 3HE MET 3 3HE MET 3 3.469 15.211 -5.411 16 H GLY 4 H GLY 4 1.751 15.786 0.657 17 1HA GLY 4 2HA GLY 4 1.776 16.607 3.284 18 2HA GLY 4 1HA GLY 4 1.358 14.979 2.774 19 HA PRO 5 HA PRO 5 5.590 15.333 5.054 20 2HB PRO 5 2HB PRO 5 5.042 16.674 6.838 21 2HG PRO 5 2HG PRO 5 2.836 16.890 7.543 22 2HD PRO 5 2HD PRO 5 2.573 17.287 5.287 23 H ARG 6 H ARG 6 2.825 13.371 4.954 24 HA ARG 6 HA ARG 6 4.282 11.081 6.089 25 2HB ARG 6 2HB ARG 6 2.188 10.032 6.505 26 2HG ARG 6 2HG ARG 6 2.300 12.896 7.272 27 2HD ARG 6 2HD ARG 6 0.153 11.875 8.688 28 HE ARG 6 HE ARG 6 0.581 14.107 7.141 29 1HH1 ARG 6 2HH1 ARG 6 -2.065 11.929 7.747 30 2HH1 ARG 6 1HH1 ARG 6 -3.286 13.128 7.478 31 1HH2 ARG 6 2HH2 ARG 6 -1.016 15.697 6.786 32 2HH2 ARG 6 1HH2 ARG 6 -2.687 15.272 6.931 33 H GLU 7 H GLU 7 5.452 10.305 4.398 34 HA GLU 7 HA GLU 7 3.989 9.667 1.924 35 2HB GLU 7 2HB GLU 7 5.748 11.057 1.280 36 2HG GLU 7 2HG GLU 7 7.623 9.535 3.075 37 H VAL 8 H VAL 8 3.321 7.624 1.948 38 HA VAL 8 HA VAL 8 4.898 5.580 3.309 39 HB VAL 8 HB VAL 8 2.371 5.789 3.563 40 1HG1 VAL 8 1HG1 VAL 8 2.482 4.599 0.795 41 2HG1 VAL 8 2HG1 VAL 8 1.044 4.625 1.818 42 3HG1 VAL 8 3HG1 VAL 8 1.760 6.139 1.262 43 1HG2 VAL 8 1HG2 VAL 8 4.076 3.521 3.424 44 2HG2 VAL 8 2HG2 VAL 8 2.637 3.756 4.415 45 3HG2 VAL 8 3HG2 VAL 8 2.491 3.061 2.801 46 H THR 9 H THR 9 5.973 3.969 2.307 47 HA THR 9 HA THR 9 5.766 3.796 -0.627 48 HB THR 9 HB THR 9 8.156 3.403 -0.792 49 HG1 THR 9 HG1 THR 9 8.089 2.664 1.623 50 1HG2 THR 9 1HG2 THR 9 7.153 5.772 -0.677 51 2HG2 THR 9 2HG2 THR 9 8.899 5.602 -0.490 52 3HG2 THR 9 3HG2 THR 9 7.880 5.848 0.927 53 H MET 10 H MET 10 6.292 1.734 -1.548 54 HA MET 10 HA MET 10 6.034 -0.493 0.365 55 2HB MET 10 2HB MET 10 4.642 -1.663 -1.142 56 2HG MET 10 2HG MET 10 2.756 -0.326 -1.480 57 1HE MET 10 1HE MET 10 2.758 2.562 -0.455 58 2HE MET 10 2HE MET 10 1.863 2.297 1.041 59 3HE MET 10 3HE MET 10 3.525 2.882 1.100 60 H LYS 11 H LYS 11 7.735 -1.791 0.423 61 HA LYS 11 HA LYS 11 9.643 -1.744 -1.795 62 2HB LYS 11 2HB LYS 11 10.099 -3.203 0.784 63 2HG LYS 11 2HG LYS 11 11.725 -3.037 -1.277 64 2HD LYS 11 2HD LYS 11 11.664 -0.335 -0.247 65 2HE LYS 11 2HE LYS 11 14.440 -1.367 -0.628 66 1HZ LYS 11 1HZ LYS 11 13.841 1.055 -0.559 67 2HZ LYS 11 2HZ LYS 11 15.027 0.573 0.546 68 3HZ LYS 11 3HZ LYS 11 13.443 0.845 1.073 69 H LYS 12 H LYS 12 10.022 -3.448 -3.089 70 HA LYS 12 HA LYS 12 8.189 -5.520 -3.355 71 2HB LYS 12 2HB LYS 12 11.048 -5.791 -4.244 72 2HG LYS 12 2HG LYS 12 8.441 -6.856 -5.115 73 2HD LYS 12 2HD LYS 12 10.460 -5.703 -6.985 74 2HE LYS 12 2HE LYS 12 10.469 -8.160 -7.370 75 1HZ LYS 12 1HZ LYS 12 8.395 -9.030 -8.454 76 2HZ LYS 12 2HZ LYS 12 7.577 -7.698 -7.809 77 3HZ LYS 12 3HZ LYS 12 8.306 -8.823 -6.777 78 H GLY 13 H GLY 13 7.766 -7.064 -1.919 79 1HA GLY 13 2HA GLY 13 8.284 -9.106 -0.858 80 2HA GLY 13 1HA GLY 13 9.986 -8.670 -0.901 81 H ASP 14 H ASP 14 7.474 -6.523 0.259 82 HA ASP 14 HA ASP 14 8.452 -6.935 3.007 83 2HB ASP 14 2HB ASP 14 7.477 -4.235 2.256 84 H ILE 15 H ILE 15 6.948 -6.914 4.631 85 HA ILE 15 HA ILE 15 4.174 -7.169 3.782 86 HB ILE 15 HB ILE 15 5.358 -7.607 6.526 87 2HG1 ILE 15 2HG1 ILE 15 6.149 -9.073 4.515 88 1HG2 ILE 15 1HG2 ILE 15 2.725 -8.513 5.369 89 2HG2 ILE 15 2HG2 ILE 15 3.310 -8.797 7.008 90 3HG2 ILE 15 3HG2 ILE 15 2.934 -7.158 6.478 91 1HD1 ILE 15 1HD1 ILE 15 6.171 -11.108 5.850 92 2HD1 ILE 15 2HD1 ILE 15 6.619 -9.701 6.814 93 3HD1 ILE 15 3HD1 ILE 15 5.005 -10.394 6.963 94 H LEU 16 H LEU 16 2.841 -5.496 3.841 95 HA LEU 16 HA LEU 16 3.319 -3.380 5.837 96 2HB LEU 16 2HB LEU 16 2.797 -1.748 4.325 97 HG LEU 16 HG LEU 16 4.577 -3.567 3.247 98 1HD1 LEU 16 1HD1 LEU 16 3.409 -4.557 1.586 99 2HD1 LEU 16 2HD1 LEU 16 3.826 -3.074 0.727 100 3HD1 LEU 16 3HD1 LEU 16 2.237 -3.244 1.474 101 1HD2 LEU 16 1HD2 LEU 16 4.760 -1.482 1.544 102 2HD2 LEU 16 2HD2 LEU 16 5.393 -1.468 3.191 103 3HD2 LEU 16 3HD2 LEU 16 3.819 -0.751 2.845 104 H THR 17 H THR 17 1.745 -3.015 7.256 105 HA THR 17 HA THR 17 -0.401 -4.585 7.739 106 HB THR 17 HB THR 17 -0.251 -1.601 8.208 107 HG1 THR 17 HG1 THR 17 0.522 -2.221 10.227 108 1HG2 THR 17 1HG2 THR 17 -2.030 -1.808 9.757 109 2HG2 THR 17 2HG2 THR 17 -2.004 -3.568 9.666 110 3HG2 THR 17 3HG2 THR 17 -2.574 -2.622 8.291 111 H LEU 18 H LEU 18 -2.242 -5.067 6.745 112 HA LEU 18 HA LEU 18 -3.004 -3.826 4.309 113 2HB LEU 18 2HB LEU 18 -4.744 -5.595 6.007 114 HG LEU 18 HG LEU 18 -5.061 -6.574 3.538 115 1HD1 LEU 18 1HD1 LEU 18 -6.753 -5.749 5.238 116 2HD1 LEU 18 2HD1 LEU 18 -7.194 -5.584 3.539 117 3HD1 LEU 18 3HD1 LEU 18 -6.633 -4.179 4.444 118 1HD2 LEU 18 1HD2 LEU 18 -4.634 -3.614 3.144 119 2HD2 LEU 18 2HD2 LEU 18 -5.307 -4.725 1.952 120 3HD2 LEU 18 3HD2 LEU 18 -3.635 -4.908 2.482 121 H LEU 19 H LEU 19 -3.039 -1.608 5.324 122 HA LEU 19 HA LEU 19 -5.000 -0.763 7.112 123 2HB LEU 19 2HB LEU 19 -4.741 1.418 5.565 124 HG LEU 19 HG LEU 19 -3.956 1.529 7.815 125 1HD1 LEU 19 1HD1 LEU 19 -1.366 0.247 7.412 126 2HD1 LEU 19 2HD1 LEU 19 -2.731 -0.865 7.312 127 3HD1 LEU 19 3HD1 LEU 19 -2.500 0.121 8.756 128 1HD2 LEU 19 1HD2 LEU 19 -1.494 2.029 6.173 129 2HD2 LEU 19 2HD2 LEU 19 -2.108 2.938 7.555 130 3HD2 LEU 19 3HD2 LEU 19 -2.940 3.026 6.002 131 H ASN 20 H ASN 20 -6.618 1.087 6.163 132 HA ASN 20 HA ASN 20 -8.866 -0.144 5.281 133 2HB ASN 20 2HB ASN 20 -8.647 2.479 4.038 134 1HD2 ASN 20 1HD2 ASN 20 -9.757 0.573 6.795 135 2HD2 ASN 20 2HD2 ASN 20 -11.384 1.153 6.766 136 H SER 21 H SER 21 -8.811 -1.609 3.663 137 HA SER 21 HA SER 21 -7.616 -0.863 1.099 138 2HB SER 21 2HB SER 21 -6.912 -3.019 1.777 139 HG SER 21 HG SER 21 -8.660 -4.626 2.227 140 H THR 22 H THR 22 -10.284 0.053 2.282 141 HA THR 22 HA THR 22 -12.482 -0.987 1.032 142 HB THR 22 HB THR 22 -13.171 0.726 2.345 143 HG1 THR 22 HG1 THR 22 -12.748 2.435 0.135 144 1HG2 THR 22 1HG2 THR 22 -11.138 1.592 3.107 145 2HG2 THR 22 2HG2 THR 22 -11.918 2.980 2.350 146 3HG2 THR 22 3HG2 THR 22 -10.647 2.109 1.494 147 H ASN 23 H ASN 23 -10.321 1.513 -0.304 148 HA ASN 23 HA ASN 23 -11.585 1.820 -2.766 149 2HB ASN 23 2HB ASN 23 -8.870 2.174 -3.296 150 1HD2 ASN 23 1HD2 ASN 23 -10.289 3.301 -4.784 151 2HD2 ASN 23 2HD2 ASN 23 -10.792 4.911 -4.410 152 H LYS 24 H LYS 24 -12.073 0.223 -4.121 153 HA LYS 24 HA LYS 24 -10.754 -2.253 -4.266 154 2HB LYS 24 2HB LYS 24 -12.020 -1.731 -6.757 155 2HG LYS 24 2HG LYS 24 -12.926 -3.203 -4.296 156 2HD LYS 24 2HD LYS 24 -14.342 -4.303 -6.313 157 2HE LYS 24 2HE LYS 24 -14.986 -2.165 -4.333 158 1HZ LYS 24 1HZ LYS 24 -16.471 -1.586 -6.057 159 2HZ LYS 24 2HZ LYS 24 -17.367 -2.514 -4.963 160 3HZ LYS 24 3HZ LYS 24 -16.828 -3.202 -6.411 161 H ASP 25 H ASP 25 -10.169 0.786 -5.842 162 HA ASP 25 HA ASP 25 -8.237 -0.443 -7.668 163 2HB ASP 25 2HB ASP 25 -8.198 1.675 -8.828 164 H TRP 26 H TRP 26 -8.258 0.661 -4.598 165 HA TRP 26 HA TRP 26 -5.395 1.033 -4.579 166 2HB TRP 26 2HB TRP 26 -5.591 3.208 -3.294 167 HD1 TRP 26 HD1 TRP 26 -7.654 3.421 -6.559 168 HE1 TRP 26 HE1 TRP 26 -6.219 4.614 -8.332 169 HE3 TRP 26 HE3 TRP 26 -3.304 3.876 -3.911 170 HZ2 TRP 26 HZ2 TRP 26 -3.591 5.616 -8.576 171 HZ3 TRP 26 HZ3 TRP 26 -1.377 4.964 -4.987 172 HH2 TRP 26 HH2 TRP 26 -1.519 5.814 -7.271 173 H TRP 27 H TRP 27 -4.645 -0.036 -2.881 174 HA TRP 27 HA TRP 27 -6.439 -0.455 -0.585 175 2HB TRP 27 2HB TRP 27 -4.539 -2.315 -0.192 176 HD1 TRP 27 HD1 TRP 27 -7.809 -1.546 -1.866 177 HE1 TRP 27 HE1 TRP 27 -9.285 -3.655 -1.895 178 HE3 TRP 27 HE3 TRP 27 -4.328 -4.994 -0.404 179 HZ2 TRP 27 HZ2 TRP 27 -9.010 -6.414 -1.367 180 HZ3 TRP 27 HZ3 TRP 27 -5.017 -7.346 -0.190 181 HH2 TRP 27 HH2 TRP 27 -7.310 -8.039 -0.661 182 H LYS 28 H LYS 28 -6.001 0.912 1.015 183 HA LYS 28 HA LYS 28 -3.578 2.292 1.362 184 2HB LYS 28 2HB LYS 28 -5.358 1.786 3.704 185 2HG LYS 28 2HG LYS 28 -4.592 4.464 2.641 186 2HD LYS 28 2HD LYS 28 -4.824 3.413 5.458 187 2HE LYS 28 2HE LYS 28 -4.814 6.206 4.318 188 1HZ LYS 28 1HZ LYS 28 -4.560 6.588 6.886 189 2HZ LYS 28 2HZ LYS 28 -5.440 5.147 6.973 190 3HZ LYS 28 3HZ LYS 28 -6.087 6.484 6.165 191 H VAL 29 H VAL 29 -1.763 1.877 2.501 192 HA VAL 29 HA VAL 29 -1.684 -0.390 4.335 193 HB VAL 29 HB VAL 29 0.233 -1.422 3.311 194 1HG1 VAL 29 1HG1 VAL 29 -0.821 -2.483 1.537 195 2HG1 VAL 29 2HG1 VAL 29 -2.176 -1.842 2.468 196 3HG1 VAL 29 3HG1 VAL 29 -1.636 -1.011 1.009 197 1HG2 VAL 29 1HG2 VAL 29 1.502 0.257 2.352 198 2HG2 VAL 29 2HG2 VAL 29 0.844 -0.562 0.935 199 3HG2 VAL 29 3HG2 VAL 29 0.127 0.950 1.492 200 H GLU 30 H GLU 30 -0.226 -0.157 5.971 201 HA GLU 30 HA GLU 30 1.233 2.388 6.037 202 2HB GLU 30 2HB GLU 30 0.417 0.522 8.270 203 2HG GLU 30 2HG GLU 30 1.860 3.156 8.365 204 H VAL 31 H VAL 31 3.343 2.375 7.194 205 HA VAL 31 HA VAL 31 4.848 -0.086 6.582 206 HB VAL 31 HB VAL 31 6.719 1.961 6.670 207 1HG1 VAL 31 1HG1 VAL 31 7.263 0.621 4.973 208 2HG1 VAL 31 2HG1 VAL 31 5.590 0.112 4.737 209 3HG1 VAL 31 3HG1 VAL 31 6.177 1.596 3.985 210 1HG2 VAL 31 1HG2 VAL 31 4.198 2.895 5.318 211 2HG2 VAL 31 2HG2 VAL 31 5.137 3.719 6.563 212 3HG2 VAL 31 3HG2 VAL 31 5.789 3.550 4.933 213 H ASN 32 H ASN 32 4.924 2.837 8.621 214 HA ASN 32 HA ASN 32 5.394 1.312 10.990 215 2HB ASN 32 2HB ASN 32 7.618 2.395 11.497 216 1HD2 ASN 32 1HD2 ASN 32 7.994 1.398 8.200 217 2HD2 ASN 32 2HD2 ASN 32 8.552 -0.204 8.532 218 H ASP 33 H ASP 33 5.357 4.414 9.354 219 HA ASP 33 HA ASP 33 3.992 5.571 11.663 220 2HB ASP 33 2HB ASP 33 5.844 7.489 10.494 221 H ARG 34 H ARG 34 4.914 5.756 8.280 222 HA ARG 34 HA ARG 34 2.769 7.695 7.783 223 2HB ARG 34 2HB ARG 34 3.879 8.355 5.875 224 2HG ARG 34 2HG ARG 34 5.982 7.316 7.735 225 2HD ARG 34 2HD ARG 34 6.528 9.062 5.349 226 HE ARG 34 HE ARG 34 8.103 8.477 7.531 227 1HH1 ARG 34 2HH1 ARG 34 8.310 8.075 4.079 228 2HH1 ARG 34 1HH1 ARG 34 10.039 8.191 4.038 229 1HH2 ARG 34 2HH2 ARG 34 10.378 8.631 7.491 230 2HH2 ARG 34 1HH2 ARG 34 11.213 8.506 5.980 231 H GLN 35 H GLN 35 1.034 7.240 6.501 232 HA GLN 35 HA GLN 35 0.904 4.665 5.137 233 2HB GLN 35 2HB GLN 35 -0.279 3.747 6.805 234 2HG GLN 35 2HG GLN 35 -0.402 6.513 7.882 235 1HE2 GLN 35 1HE2 GLN 35 -0.896 4.666 10.392 236 2HE2 GLN 35 2HE2 GLN 35 -2.617 4.722 10.538 237 H GLY 36 H GLY 36 -0.244 4.732 3.278 238 1HA GLY 36 2HA GLY 36 -2.181 6.863 2.837 239 2HA GLY 36 1HA GLY 36 -0.752 6.893 1.815 240 H PHE 37 H PHE 37 -2.902 6.738 0.399 241 HA PHE 37 HA PHE 37 -3.842 4.036 0.029 242 2HB PHE 37 2HB PHE 37 -5.026 5.098 -1.971 243 HD1 PHE 37 HD1 PHE 37 -5.441 7.851 0.261 244 HD2 PHE 37 HD2 PHE 37 -6.493 3.776 -0.374 245 HE1 PHE 37 HE1 PHE 37 -7.335 8.102 1.809 246 HE2 PHE 37 HE2 PHE 37 -8.390 4.021 1.174 247 HZ PHE 37 HZ PHE 37 -8.814 6.186 2.267 248 H VAL 38 H VAL 38 -2.935 2.546 -1.217 249 HA VAL 38 HA VAL 38 -1.150 3.420 -3.393 250 HB VAL 38 HB VAL 38 0.090 1.209 -2.920 251 1HG1 VAL 38 1HG1 VAL 38 0.789 2.848 -0.649 252 2HG1 VAL 38 2HG1 VAL 38 1.682 2.556 -2.141 253 3HG1 VAL 38 3HG1 VAL 38 0.470 3.835 -2.074 254 1HG2 VAL 38 1HG2 VAL 38 -1.400 1.600 -0.333 255 2HG2 VAL 38 2HG2 VAL 38 -1.397 0.177 -1.376 256 3HG2 VAL 38 3HG2 VAL 38 0.055 0.614 -0.477 257 HA PRO 39 HA PRO 39 -3.411 0.805 -6.096 258 2HB PRO 39 2HB PRO 39 -2.080 1.595 -7.793 259 2HG PRO 39 2HG PRO 39 0.182 2.013 -7.449 260 2HD PRO 39 2HD PRO 39 -0.709 3.142 -5.648 261 H ALA 40 H ALA 40 -4.233 -1.059 -5.364 262 HA ALA 40 HA ALA 40 -2.941 -3.044 -3.943 263 1HB ALA 40 1HB ALA 40 -5.042 -4.145 -5.604 264 2HB ALA 40 2HB ALA 40 -4.974 -3.947 -3.852 265 3HB ALA 40 3HB ALA 40 -5.516 -2.612 -4.871 266 H ALA 41 H ALA 41 -2.719 -2.337 -7.274 267 HA ALA 41 HA ALA 41 -2.130 -4.908 -8.294 268 1HB ALA 41 1HB ALA 41 -2.087 -3.825 -10.233 269 2HB ALA 41 2HB ALA 41 -2.398 -2.337 -9.338 270 3HB ALA 41 3HB ALA 41 -0.741 -2.813 -9.707 271 H TYR 42 H TYR 42 -0.247 -2.549 -6.570 272 HA TYR 42 HA TYR 42 2.271 -3.855 -7.206 273 2HB TYR 42 2HB TYR 42 3.174 -2.096 -5.579 274 HD1 TYR 42 HD1 TYR 42 4.525 -0.634 -6.758 275 HD2 TYR 42 HD2 TYR 42 0.689 -1.601 -8.323 276 HE1 TYR 42 HE1 TYR 42 5.038 0.649 -8.793 277 HE2 TYR 42 HE2 TYR 42 1.192 -0.322 -10.363 278 HH TYR 42 HH TYR 42 3.816 1.803 -10.599 279 H VAL 43 H VAL 43 -0.214 -4.263 -5.001 280 HA VAL 43 HA VAL 43 1.560 -5.781 -3.205 281 HB VAL 43 HB VAL 43 0.007 -5.236 -1.332 282 1HG1 VAL 43 1HG1 VAL 43 1.721 -3.237 -2.706 283 2HG1 VAL 43 2HG1 VAL 43 0.735 -2.685 -1.350 284 3HG1 VAL 43 3HG1 VAL 43 1.902 -3.987 -1.119 285 1HG2 VAL 43 1HG2 VAL 43 -1.783 -4.487 -3.120 286 2HG2 VAL 43 2HG2 VAL 43 -1.741 -3.769 -1.509 287 3HG2 VAL 43 3HG2 VAL 43 -1.028 -2.912 -2.876 288 H LYS 44 H LYS 44 -0.000 -7.202 -1.713 289 HA LYS 44 HA LYS 44 -2.371 -8.206 -2.903 290 2HB LYS 44 2HB LYS 44 0.138 -9.859 -3.238 291 2HG LYS 44 2HG LYS 44 -2.149 -10.944 -4.566 292 2HD LYS 44 2HD LYS 44 -1.509 -12.957 -3.271 293 2HE LYS 44 2HE LYS 44 1.090 -12.663 -3.952 294 1HZ LYS 44 1HZ LYS 44 -1.316 -13.278 -5.501 295 2HZ LYS 44 2HZ LYS 44 0.007 -14.263 -5.129 296 3HZ LYS 44 3HZ LYS 44 0.139 -13.092 -6.344 297 H LYS 45 H LYS 45 -3.443 -9.675 -1.578 298 HA LYS 45 HA LYS 45 -2.747 -9.603 1.166 299 2HB LYS 45 2HB LYS 45 -4.608 -11.678 0.804 300 2HG LYS 45 2HG LYS 45 -5.553 -8.870 1.069 301 2HD LYS 45 2HD LYS 45 -6.486 -10.370 3.167 302 2HE LYS 45 2HE LYS 45 -7.549 -8.983 1.087 303 1HZ LYS 45 1HZ LYS 45 -8.230 -11.839 0.704 304 2HZ LYS 45 2HZ LYS 45 -7.665 -10.739 -0.449 305 3HZ LYS 45 3HZ LYS 45 -9.233 -10.588 0.166 306 H LEU 46 H LEU 46 -2.126 -11.286 2.557 307 HA LEU 46 HA LEU 46 -0.813 -13.556 1.210 308 2HB LEU 46 2HB LEU 46 0.897 -13.526 2.856 309 HG LEU 46 HG LEU 46 0.403 -10.632 2.158 310 1HD1 LEU 46 1HD1 LEU 46 2.163 -11.595 4.005 311 2HD1 LEU 46 2HD1 LEU 46 2.366 -10.101 3.090 312 3HD1 LEU 46 3HD1 LEU 46 3.141 -11.585 2.537 313 1HD2 LEU 46 1HD2 LEU 46 2.433 -12.250 0.753 314 2HD2 LEU 46 2HD2 LEU 46 1.366 -10.982 0.145 315 3HD2 LEU 46 3HD2 LEU 46 0.748 -12.617 0.382 316 H ASP 47 H ASP 47 -0.303 -15.306 3.039 317 HA ASP 47 HA ASP 47 -2.915 -15.952 4.210 318 2HB ASP 47 2HB ASP 47 -1.169 -18.168 4.415 319 H SER 48 H SER 48 -2.992 -15.103 6.214 320 HA SER 48 HA SER 48 -0.674 -15.225 7.960 321 2HB SER 48 2HB SER 48 -3.447 -14.138 8.507 322 HG SER 48 HG SER 48 -0.971 -13.906 9.865 323 H GLY 49 H GLY 49 -4.110 -16.090 8.408 324 1HA GLY 49 2HA GLY 49 -4.704 -18.391 8.970 325 2HA GLY 49 1HA GLY 49 -3.196 -18.491 9.866 326 H THR 50 H THR 50 -3.072 -16.554 11.556 327 HA THR 50 HA THR 50 -4.950 -17.133 13.546 328 HB THR 50 HB THR 50 -2.814 -16.282 14.205 329 HG1 THR 50 HG1 THR 50 -3.502 -14.742 15.667 330 1HG2 THR 50 1HG2 THR 50 -3.062 -14.587 12.024 331 2HG2 THR 50 2HG2 THR 50 -1.752 -14.587 13.206 332 3HG2 THR 50 3HG2 THR 50 -3.130 -13.506 13.415 333 H GLY 51 H GLY 51 -4.866 -14.604 11.111 334 1HA GLY 51 2HA GLY 51 -7.152 -13.887 10.402 335 2HA GLY 51 1HA GLY 51 -7.479 -13.652 12.113 336 H LYS 52 H LYS 52 -4.475 -12.805 10.489 337 HA LYS 52 HA LYS 52 -4.869 -10.034 11.324 338 2HB LYS 52 2HB LYS 52 -2.458 -9.785 10.720 339 2HG LYS 52 2HG LYS 52 -1.724 -11.785 12.374 340 2HD LYS 52 2HD LYS 52 -1.875 -9.123 12.556 341 2HE LYS 52 2HE LYS 52 -4.369 -9.932 13.555 342 1HZ LYS 52 1HZ LYS 52 -3.567 -8.580 15.833 343 2HZ LYS 52 2HZ LYS 52 -2.470 -9.854 15.645 344 3HZ LYS 52 3HZ LYS 52 -4.129 -10.173 15.729 345 H GLU 53 H GLU 53 -4.269 -8.282 9.845 346 HA GLU 53 HA GLU 53 -5.032 -8.932 7.075 347 2HB GLU 53 2HB GLU 53 -6.141 -6.895 6.898 348 2HG GLU 53 2HG GLU 53 -6.546 -7.123 9.837 349 H LEU 54 H LEU 54 -2.992 -9.307 6.247 350 HA LEU 54 HA LEU 54 -1.206 -6.965 6.183 351 2HB LEU 54 2HB LEU 54 0.246 -8.297 7.240 352 HG LEU 54 HG LEU 54 -1.486 -10.083 7.685 353 1HD1 LEU 54 1HD1 LEU 54 -0.733 -10.766 4.955 354 2HD1 LEU 54 2HD1 LEU 54 -2.152 -11.231 5.892 355 3HD1 LEU 54 3HD1 LEU 54 -0.645 -12.131 6.068 356 1HD2 LEU 54 1HD2 LEU 54 1.282 -10.090 7.939 357 2HD2 LEU 54 2HD2 LEU 54 0.887 -11.683 7.293 358 3HD2 LEU 54 3HD2 LEU 54 0.136 -11.127 8.790 359 H VAL 55 H VAL 55 0.208 -6.886 4.252 360 HA VAL 55 HA VAL 55 -0.724 -8.353 1.921 361 HB VAL 55 HB VAL 55 -0.762 -5.991 0.721 362 1HG1 VAL 55 1HG1 VAL 55 -2.569 -7.659 0.742 363 2HG1 VAL 55 2HG1 VAL 55 -3.103 -7.043 2.307 364 3HG1 VAL 55 3HG1 VAL 55 -3.183 -6.012 0.879 365 1HG2 VAL 55 1HG2 VAL 55 -1.782 -4.270 2.090 366 2HG2 VAL 55 2HG2 VAL 55 -1.736 -5.329 3.499 367 3HG2 VAL 55 3HG2 VAL 55 -0.233 -4.749 2.782 368 H LEU 56 H LEU 56 1.056 -9.029 0.941 369 HA LEU 56 HA LEU 56 3.615 -7.871 1.432 370 2HB LEU 56 2HB LEU 56 2.832 -9.880 -0.675 371 HG LEU 56 HG LEU 56 5.121 -10.803 -0.321 372 1HD1 LEU 56 1HD1 LEU 56 4.271 -8.714 -1.943 373 2HD1 LEU 56 2HD1 LEU 56 5.712 -9.705 -2.159 374 3HD1 LEU 56 3HD1 LEU 56 5.818 -8.175 -1.291 375 1HD2 LEU 56 1HD2 LEU 56 5.224 -9.203 1.858 376 2HD2 LEU 56 2HD2 LEU 56 6.115 -8.226 0.690 377 3HD2 LEU 56 3HD2 LEU 56 6.642 -9.872 1.049 378 H ALA 57 H ALA 57 5.008 -6.847 -0.047 379 HA ALA 57 HA ALA 57 3.603 -5.246 -2.042 380 1HB ALA 57 1HB ALA 57 4.939 -3.632 -1.323 381 2HB ALA 57 2HB ALA 57 5.755 -4.770 -0.250 382 3HB ALA 57 3HB ALA 57 6.342 -4.536 -1.897 383 H LEU 58 H LEU 58 3.454 -6.145 -3.996 384 HA LEU 58 HA LEU 58 5.363 -8.041 -4.981 385 2HB LEU 58 2HB LEU 58 3.996 -8.173 -6.925 386 HG LEU 58 HG LEU 58 2.160 -7.685 -4.581 387 1HD1 LEU 58 1HD1 LEU 58 1.666 -8.795 -7.326 388 2HD1 LEU 58 2HD1 LEU 58 0.794 -7.518 -6.478 389 3HD1 LEU 58 3HD1 LEU 58 0.636 -9.194 -5.951 390 1HD2 LEU 58 1HD2 LEU 58 3.066 -9.573 -3.824 391 2HD2 LEU 58 2HD2 LEU 58 3.938 -9.850 -5.332 392 3HD2 LEU 58 3HD2 LEU 58 2.265 -10.386 -5.169 393 H TYR 59 H TYR 59 4.576 -4.663 -5.682 394 HA TYR 59 HA TYR 59 7.127 -4.464 -7.142 395 2HB TYR 59 2HB TYR 59 6.189 -3.101 -8.787 396 HD1 TYR 59 HD1 TYR 59 6.153 -6.059 -8.571 397 HD2 TYR 59 HD2 TYR 59 2.968 -3.288 -9.107 398 HE1 TYR 59 HE1 TYR 59 4.829 -7.806 -9.687 399 HE2 TYR 59 HE2 TYR 59 1.636 -5.028 -10.223 400 HH TYR 59 HH TYR 59 2.331 -8.259 -10.070 401 H ASP 60 H ASP 60 7.905 -2.143 -7.265 402 HA ASP 60 HA ASP 60 7.882 -1.054 -4.581 403 2HB ASP 60 2HB ASP 60 9.781 0.181 -5.201 404 H TYR 61 H TYR 61 6.957 0.813 -3.933 405 HA TYR 61 HA TYR 61 5.776 2.582 -5.948 406 2HB TYR 61 2HB TYR 61 4.271 1.503 -3.556 407 HD1 TYR 61 HD1 TYR 61 3.721 3.824 -2.828 408 HD2 TYR 61 HD2 TYR 61 2.675 2.363 -6.685 409 HE1 TYR 61 HE1 TYR 61 2.104 5.661 -3.078 410 HE2 TYR 61 HE2 TYR 61 1.055 4.196 -6.945 411 HH TYR 61 HH TYR 61 0.983 6.892 -4.898 412 H GLN 62 H GLN 62 4.928 4.632 -4.878 413 HA GLN 62 HA GLN 62 6.190 5.352 -2.378 414 2HB GLN 62 2HB GLN 62 6.935 7.416 -4.203 415 2HG GLN 62 2HG GLN 62 9.287 6.517 -3.567 416 1HE2 GLN 62 1HE2 GLN 62 6.349 7.340 -1.808 417 2HE2 GLN 62 2HE2 GLN 62 7.038 8.639 -0.902 418 H GLU 63 H GLU 63 4.802 6.577 -1.300 419 HA GLU 63 HA GLU 63 2.907 8.230 -2.837 420 2HB GLU 63 2HB GLU 63 2.107 7.546 -0.103 421 2HG GLU 63 2HG GLU 63 -0.008 7.049 -1.091 422 H SER 64 H SER 64 2.393 10.283 -2.048 423 HA SER 64 HA SER 64 4.168 11.292 0.078 424 2HB SER 64 2HB SER 64 4.991 12.125 -2.037 425 HG SER 64 HG SER 64 2.755 13.579 -2.688 426 H GLY 65 H GLY 65 2.642 11.219 1.702 427 1HA GLY 65 2HA GLY 65 1.065 12.267 3.038 428 2HA GLY 65 1HA GLY 65 0.749 13.389 1.724 429 H ASP 66 H ASP 66 -0.367 10.685 3.430 430 HA ASP 66 HA ASP 66 -1.850 9.135 1.832 431 2HB ASP 66 2HB ASP 66 -2.491 8.531 3.896 432 H ASN 67 H ASN 67 -2.773 9.770 -0.024 433 HA ASN 67 HA ASN 67 -4.793 11.909 0.128 434 2HB ASN 67 2HB ASN 67 -2.985 12.781 -1.170 435 1HD2 ASN 67 1HD2 ASN 67 -4.063 9.986 -3.072 436 2HD2 ASN 67 2HD2 ASN 67 -2.481 9.503 -3.573 437 H ALA 68 H ALA 68 -6.738 11.563 -0.880 438 HA ALA 68 HA ALA 68 -7.610 8.907 -1.191 439 1HB ALA 68 1HB ALA 68 -9.318 10.342 -0.630 440 2HB ALA 68 2HB ALA 68 -8.799 11.581 -1.774 441 3HB ALA 68 3HB ALA 68 -9.605 10.125 -2.357 442 HA PRO 69 HA PRO 69 -6.299 7.986 -5.305 443 2HB PRO 69 2HB PRO 69 -6.511 5.778 -4.705 444 2HG PRO 69 2HG PRO 69 -8.158 5.093 -3.215 445 2HD PRO 69 2HD PRO 69 -7.250 6.844 -2.023 446 H SER 70 H SER 70 -7.284 10.055 -6.040 447 HA SER 70 HA SER 70 -9.974 9.920 -7.103 448 2HB SER 70 2HB SER 70 -8.003 12.142 -7.606 449 HG SER 70 HG SER 70 -9.734 13.095 -8.291 450 H TYR 71 H TYR 71 -7.040 8.824 -8.124 451 HA TYR 71 HA TYR 71 -7.893 8.908 -10.936 452 2HB TYR 71 2HB TYR 71 -6.137 10.500 -10.883 453 HD1 TYR 71 HD1 TYR 71 -4.689 11.667 -9.531 454 HD2 TYR 71 HD2 TYR 71 -4.634 7.415 -9.383 455 HE1 TYR 71 HE1 TYR 71 -2.953 11.757 -7.791 456 HE2 TYR 71 HE2 TYR 71 -2.900 7.492 -7.642 457 HH TYR 71 HH TYR 71 -1.608 10.589 -6.469 458 H SER 72 H SER 72 -6.557 7.259 -12.247 459 HA SER 72 HA SER 72 -6.962 4.702 -11.035 460 2HB SER 72 2HB SER 72 -5.782 3.979 -13.278 461 HG SER 72 HG SER 72 -7.774 4.183 -14.296 462 HA PRO 73 HA PRO 73 -2.980 3.802 -9.429 463 2HB PRO 73 2HB PRO 73 -3.848 1.802 -8.704 464 2HG PRO 73 2HG PRO 73 -5.386 0.626 -9.991 465 2HD PRO 73 2HD PRO 73 -6.362 2.714 -10.018 466 HA PRO 74 HA PRO 74 -0.019 4.055 -12.689 467 2HB PRO 74 2HB PRO 74 1.418 4.919 -11.120 468 2HG PRO 74 2HG PRO 74 1.378 4.173 -8.917 469 2HD PRO 74 2HD PRO 74 -0.864 4.599 -9.231 470 HA PRO 75 HA PRO 75 0.513 0.017 -14.372 471 2HB PRO 75 2HB PRO 75 0.954 1.060 -16.372 472 2HG PRO 75 2HG PRO 75 2.113 3.074 -16.443 473 2HD PRO 75 2HD PRO 75 0.527 3.586 -14.852 474 HA PRO 76 HA PRO 76 3.645 -1.695 -11.687 475 2HB PRO 76 2HB PRO 76 2.114 -3.338 -11.202 476 2HG PRO 76 2HG PRO 76 0.528 -4.001 -12.768 477 2HD PRO 76 2HD PRO 76 0.237 -1.715 -12.851 478 HA PRO 77 HA PRO 77 7.107 -2.681 -14.213 479 2HB PRO 77 2HB PRO 77 8.310 -3.050 -12.291 480 2HG PRO 77 2HG PRO 77 7.348 -4.110 -10.459 481 2HD PRO 77 2HD PRO 77 5.738 -2.517 -10.887 Start of MODEL 19 1 1H GLY 1 1H GLY 1 7.849 14.682 -8.191 2 1HA GLY 1 2HA GLY 1 9.268 13.899 -6.190 3 2HA GLY 1 1HA GLY 1 9.798 15.574 -6.172 4 H ALA 2 H ALA 2 6.866 13.574 -6.033 5 HA ALA 2 HA ALA 2 4.993 15.388 -5.249 6 1HB ALA 2 1HB ALA 2 4.781 12.851 -5.576 7 2HB ALA 2 2HB ALA 2 5.174 12.737 -3.860 8 3HB ALA 2 3HB ALA 2 3.741 13.623 -4.378 9 H MET 3 H MET 3 4.011 15.582 -2.983 10 HA MET 3 HA MET 3 6.130 15.908 -0.969 11 2HB MET 3 2HB MET 3 4.452 17.935 -0.322 12 2HG MET 3 2HG MET 3 6.024 19.333 -1.949 13 1HE MET 3 1HE MET 3 8.887 18.766 -1.130 14 2HE MET 3 2HE MET 3 9.255 19.243 0.527 15 3HE MET 3 3HE MET 3 8.896 17.557 0.154 16 H GLY 4 H GLY 4 4.996 16.467 1.248 17 1HA GLY 4 2HA GLY 4 2.646 15.957 2.236 18 2HA GLY 4 1HA GLY 4 3.007 14.342 1.644 19 HA PRO 5 HA PRO 5 5.009 15.407 5.901 20 2HB PRO 5 2HB PRO 5 3.259 16.409 7.002 21 2HG PRO 5 2HG PRO 5 1.061 16.060 6.331 22 2HD PRO 5 2HD PRO 5 2.012 16.608 4.304 23 H ARG 6 H ARG 6 2.788 12.888 4.846 24 HA ARG 6 HA ARG 6 4.539 10.896 6.131 25 2HB ARG 6 2HB ARG 6 2.711 9.563 6.739 26 2HG ARG 6 2HG ARG 6 2.151 12.446 7.201 27 2HD ARG 6 2HD ARG 6 0.368 10.645 8.638 28 HE ARG 6 HE ARG 6 0.276 13.318 7.648 29 1HH1 ARG 6 2HH1 ARG 6 -1.692 10.631 8.659 30 2HH1 ARG 6 1HH1 ARG 6 -3.040 11.620 9.115 31 1HH2 ARG 6 2HH2 ARG 6 -1.491 14.632 8.246 32 2HH2 ARG 6 1HH2 ARG 6 -2.924 13.896 8.879 33 H GLU 7 H GLU 7 5.750 10.315 4.391 34 HA GLU 7 HA GLU 7 4.376 9.595 1.905 35 2HB GLU 7 2HB GLU 7 6.209 11.051 1.507 36 2HG GLU 7 2HG GLU 7 8.571 10.064 2.152 37 H VAL 8 H VAL 8 3.668 7.560 1.904 38 HA VAL 8 HA VAL 8 5.220 5.472 3.234 39 HB VAL 8 HB VAL 8 2.863 5.449 3.730 40 1HG1 VAL 8 1HG1 VAL 8 2.496 5.358 0.741 41 2HG1 VAL 8 2HG1 VAL 8 1.211 4.991 1.895 42 3HG1 VAL 8 3HG1 VAL 8 1.937 6.599 1.863 43 1HG2 VAL 8 1HG2 VAL 8 2.395 3.185 3.328 44 2HG2 VAL 8 2HG2 VAL 8 3.277 3.183 1.801 45 3HG2 VAL 8 3HG2 VAL 8 4.156 3.285 3.325 46 H THR 9 H THR 9 6.423 4.027 2.180 47 HA THR 9 HA THR 9 6.077 3.774 -0.735 48 HB THR 9 HB THR 9 8.507 3.505 -0.976 49 HG1 THR 9 HG1 THR 9 8.606 2.946 1.460 50 1HG2 THR 9 1HG2 THR 9 7.125 5.903 -0.399 51 2HG2 THR 9 2HG2 THR 9 8.588 5.696 -1.363 52 3HG2 THR 9 3HG2 THR 9 8.710 6.022 0.366 53 H MET 10 H MET 10 5.684 1.766 -1.381 54 HA MET 10 HA MET 10 6.078 -0.433 0.491 55 2HB MET 10 2HB MET 10 4.619 -1.705 -0.909 56 2HG MET 10 2HG MET 10 3.776 1.109 -0.468 57 1HE MET 10 1HE MET 10 3.130 -2.071 -2.255 58 2HE MET 10 2HE MET 10 1.721 -1.800 -3.280 59 3HE MET 10 3HE MET 10 3.260 -1.031 -3.674 60 H LYS 11 H LYS 11 8.014 -1.368 0.467 61 HA LYS 11 HA LYS 11 9.565 -1.484 -1.994 62 2HB LYS 11 2HB LYS 11 10.520 -0.857 0.294 63 2HG LYS 11 2HG LYS 11 10.439 -3.846 0.656 64 2HD LYS 11 2HD LYS 11 11.344 -2.499 2.962 65 2HE LYS 11 2HE LYS 11 12.606 -4.316 0.932 66 1HZ LYS 11 1HZ LYS 11 13.929 -3.843 3.496 67 2HZ LYS 11 2HZ LYS 11 14.184 -2.712 2.264 68 3HZ LYS 11 3HZ LYS 11 14.585 -4.337 2.017 69 H LYS 12 H LYS 12 9.718 -3.228 -3.247 70 HA LYS 12 HA LYS 12 8.099 -5.408 -3.166 71 2HB LYS 12 2HB LYS 12 10.866 -5.931 -4.114 72 2HG LYS 12 2HG LYS 12 8.101 -6.433 -5.058 73 2HD LYS 12 2HD LYS 12 10.034 -5.309 -6.782 74 2HE LYS 12 2HE LYS 12 9.431 -7.962 -7.907 75 1HZ LYS 12 1HZ LYS 12 11.720 -6.085 -7.960 76 2HZ LYS 12 2HZ LYS 12 10.688 -6.512 -9.230 77 3HZ LYS 12 3HZ LYS 12 11.808 -7.632 -8.638 78 H GLY 13 H GLY 13 7.845 -7.088 -1.852 79 1HA GLY 13 2HA GLY 13 8.466 -8.921 -0.553 80 2HA GLY 13 1HA GLY 13 10.137 -8.383 -0.638 81 H ASP 14 H ASP 14 7.286 -6.592 0.465 82 HA ASP 14 HA ASP 14 8.316 -6.680 3.207 83 2HB ASP 14 2HB ASP 14 7.289 -4.047 2.343 84 H ILE 15 H ILE 15 6.770 -6.680 4.773 85 HA ILE 15 HA ILE 15 4.015 -6.952 3.856 86 HB ILE 15 HB ILE 15 5.073 -7.403 6.644 87 2HG1 ILE 15 2HG1 ILE 15 6.206 -8.805 4.869 88 1HG2 ILE 15 1HG2 ILE 15 3.060 -8.461 7.113 89 2HG2 ILE 15 2HG2 ILE 15 2.565 -7.088 6.124 90 3HG2 ILE 15 3HG2 ILE 15 2.673 -8.696 5.409 91 1HD1 ILE 15 1HD1 ILE 15 5.837 -10.978 5.952 92 2HD1 ILE 15 2HD1 ILE 15 6.126 -9.680 7.111 93 3HD1 ILE 15 3HD1 ILE 15 4.489 -10.282 6.849 94 H LEU 16 H LEU 16 2.480 -5.471 4.185 95 HA LEU 16 HA LEU 16 2.982 -3.334 6.144 96 2HB LEU 16 2HB LEU 16 2.492 -1.659 4.676 97 HG LEU 16 HG LEU 16 4.333 -3.349 3.604 98 1HD1 LEU 16 1HD1 LEU 16 3.541 -3.043 1.063 99 2HD1 LEU 16 2HD1 LEU 16 1.975 -3.311 1.829 100 3HD1 LEU 16 3HD1 LEU 16 3.255 -4.512 1.997 101 1HD2 LEU 16 1HD2 LEU 16 3.484 -0.617 3.291 102 2HD2 LEU 16 2HD2 LEU 16 4.108 -1.252 1.768 103 3HD2 LEU 16 3HD2 LEU 16 5.108 -1.303 3.220 104 H THR 17 H THR 17 1.301 -2.802 7.425 105 HA THR 17 HA THR 17 -0.826 -4.481 7.854 106 HB THR 17 HB THR 17 -0.738 -1.508 8.399 107 HG1 THR 17 HG1 THR 17 -0.043 -2.223 10.473 108 1HG2 THR 17 1HG2 THR 17 -2.333 -3.381 10.062 109 2HG2 THR 17 2HG2 THR 17 -2.987 -2.935 8.485 110 3HG2 THR 17 3HG2 THR 17 -2.621 -1.686 9.675 111 H LEU 18 H LEU 18 -2.652 -4.926 6.813 112 HA LEU 18 HA LEU 18 -3.341 -3.646 4.381 113 2HB LEU 18 2HB LEU 18 -5.341 -5.272 5.862 114 HG LEU 18 HG LEU 18 -4.512 -6.188 3.215 115 1HD1 LEU 18 1HD1 LEU 18 -7.218 -5.364 4.237 116 2HD1 LEU 18 2HD1 LEU 18 -6.491 -6.935 4.573 117 3HD1 LEU 18 3HD1 LEU 18 -6.846 -6.465 2.911 118 1HD2 LEU 18 1HD2 LEU 18 -5.868 -4.313 2.129 119 2HD2 LEU 18 2HD2 LEU 18 -4.209 -3.948 2.605 120 3HD2 LEU 18 3HD2 LEU 18 -5.555 -3.400 3.605 121 H LEU 19 H LEU 19 -3.377 -1.433 5.386 122 HA LEU 19 HA LEU 19 -5.359 -0.572 7.147 123 2HB LEU 19 2HB LEU 19 -5.040 1.610 5.607 124 HG LEU 19 HG LEU 19 -4.311 1.726 7.870 125 1HD1 LEU 19 1HD1 LEU 19 -3.108 -0.698 7.399 126 2HD1 LEU 19 2HD1 LEU 19 -2.942 0.272 8.862 127 3HD1 LEU 19 3HD1 LEU 19 -1.737 0.396 7.580 128 1HD2 LEU 19 1HD2 LEU 19 -3.208 3.189 6.086 129 2HD2 LEU 19 2HD2 LEU 19 -1.794 2.154 6.291 130 3HD2 LEU 19 3HD2 LEU 19 -2.414 3.081 7.658 131 H ASN 20 H ASN 20 -6.943 1.293 6.189 132 HA ASN 20 HA ASN 20 -9.181 0.088 5.246 133 2HB ASN 20 2HB ASN 20 -9.081 2.677 4.026 134 1HD2 ASN 20 1HD2 ASN 20 -11.258 2.218 3.879 135 2HD2 ASN 20 2HD2 ASN 20 -12.312 2.259 5.248 136 H SER 21 H SER 21 -9.309 -1.250 3.558 137 HA SER 21 HA SER 21 -7.929 -0.566 1.068 138 2HB SER 21 2HB SER 21 -8.311 -2.986 2.425 139 HG SER 21 HG SER 21 -9.774 -2.944 -0.010 140 H THR 22 H THR 22 -10.712 0.291 2.337 141 HA THR 22 HA THR 22 -12.894 -0.385 0.974 142 HB THR 22 HB THR 22 -12.998 1.472 2.490 143 HG1 THR 22 HG1 THR 22 -14.473 1.389 0.596 144 1HG2 THR 22 1HG2 THR 22 -11.702 3.312 0.518 145 2HG2 THR 22 2HG2 THR 22 -10.703 2.358 1.615 146 3HG2 THR 22 3HG2 THR 22 -11.890 3.491 2.262 147 H ASN 23 H ASN 23 -10.307 1.628 -0.379 148 HA ASN 23 HA ASN 23 -11.561 2.038 -2.891 149 2HB ASN 23 2HB ASN 23 -8.878 2.306 -3.408 150 1HD2 ASN 23 1HD2 ASN 23 -10.116 3.642 -4.803 151 2HD2 ASN 23 2HD2 ASN 23 -10.573 5.236 -4.318 152 H LYS 24 H LYS 24 -11.917 0.585 -4.419 153 HA LYS 24 HA LYS 24 -10.795 -2.024 -4.360 154 2HB LYS 24 2HB LYS 24 -11.850 -1.567 -6.930 155 2HG LYS 24 2HG LYS 24 -12.971 -2.783 -4.434 156 2HD LYS 24 2HD LYS 24 -14.552 -1.740 -6.481 157 2HE LYS 24 2HE LYS 24 -15.574 -3.860 -7.370 158 1HZ LYS 24 1HZ LYS 24 -14.342 -3.701 -9.229 159 2HZ LYS 24 2HZ LYS 24 -12.867 -3.876 -8.421 160 3HZ LYS 24 3HZ LYS 24 -13.648 -2.376 -8.441 161 H ASP 25 H ASP 25 -10.081 0.904 -6.165 162 HA ASP 25 HA ASP 25 -8.052 -0.466 -7.749 163 2HB ASP 25 2HB ASP 25 -7.838 1.623 -8.966 164 H TRP 26 H TRP 26 -8.199 0.763 -4.730 165 HA TRP 26 HA TRP 26 -5.320 1.060 -4.586 166 2HB TRP 26 2HB TRP 26 -5.514 3.234 -3.335 167 HD1 TRP 26 HD1 TRP 26 -7.591 3.484 -6.587 168 HE1 TRP 26 HE1 TRP 26 -6.153 4.671 -8.362 169 HE3 TRP 26 HE3 TRP 26 -3.220 3.876 -3.963 170 HZ2 TRP 26 HZ2 TRP 26 -3.516 5.644 -8.617 171 HZ3 TRP 26 HZ3 TRP 26 -1.287 4.947 -5.046 172 HH2 TRP 26 HH2 TRP 26 -1.434 5.811 -7.325 173 H TRP 27 H TRP 27 -4.635 0.015 -2.844 174 HA TRP 27 HA TRP 27 -6.534 -0.413 -0.636 175 2HB TRP 27 2HB TRP 27 -4.600 -2.257 -0.185 176 HD1 TRP 27 HD1 TRP 27 -7.919 -1.509 -1.726 177 HE1 TRP 27 HE1 TRP 27 -9.381 -3.628 -1.735 178 HE3 TRP 27 HE3 TRP 27 -4.354 -4.959 -0.492 179 HZ2 TRP 27 HZ2 TRP 27 -9.064 -6.395 -1.280 180 HZ3 TRP 27 HZ3 TRP 27 -5.016 -7.321 -0.298 181 HH2 TRP 27 HH2 TRP 27 -7.323 -8.022 -0.684 182 H LYS 28 H LYS 28 -6.165 1.011 0.940 183 HA LYS 28 HA LYS 28 -3.750 2.357 1.409 184 2HB LYS 28 2HB LYS 28 -5.689 1.882 3.636 185 2HG LYS 28 2HG LYS 28 -4.736 4.539 2.670 186 2HD LYS 28 2HD LYS 28 -5.086 3.609 5.497 187 2HE LYS 28 2HE LYS 28 -5.242 6.243 4.052 188 1HZ LYS 28 1HZ LYS 28 -6.263 7.217 5.790 189 2HZ LYS 28 2HZ LYS 28 -5.602 6.163 6.935 190 3HZ LYS 28 3HZ LYS 28 -6.933 5.679 6.010 191 H VAL 29 H VAL 29 -1.973 1.885 2.559 192 HA VAL 29 HA VAL 29 -2.018 -0.310 4.482 193 HB VAL 29 HB VAL 29 -0.029 -1.373 3.530 194 1HG1 VAL 29 1HG1 VAL 29 -2.242 -1.150 1.495 195 2HG1 VAL 29 2HG1 VAL 29 -1.094 -2.480 1.663 196 3HG1 VAL 29 3HG1 VAL 29 -2.286 -2.176 2.929 197 1HG2 VAL 29 1HG2 VAL 29 1.195 0.092 2.298 198 2HG2 VAL 29 2HG2 VAL 29 0.295 -0.661 0.982 199 3HG2 VAL 29 3HG2 VAL 29 -0.227 0.893 1.632 200 H GLU 30 H GLU 30 -0.601 -0.057 6.145 201 HA GLU 30 HA GLU 30 0.934 2.442 6.162 202 2HB GLU 30 2HB GLU 30 0.058 0.636 8.423 203 2HG GLU 30 2HG GLU 30 0.644 2.965 9.621 204 H VAL 31 H VAL 31 3.093 2.503 6.899 205 HA VAL 31 HA VAL 31 4.526 -0.038 6.520 206 HB VAL 31 HB VAL 31 6.474 1.871 6.429 207 1HG1 VAL 31 1HG1 VAL 31 5.065 0.158 4.584 208 2HG1 VAL 31 2HG1 VAL 31 5.607 1.639 3.791 209 3HG1 VAL 31 3HG1 VAL 31 6.770 0.606 4.623 210 1HG2 VAL 31 1HG2 VAL 31 5.022 3.749 6.526 211 2HG2 VAL 31 2HG2 VAL 31 5.566 3.611 4.854 212 3HG2 VAL 31 3HG2 VAL 31 3.950 3.066 5.303 213 H ASN 32 H ASN 32 5.900 2.836 7.961 214 HA ASN 32 HA ASN 32 6.185 1.366 10.499 215 2HB ASN 32 2HB ASN 32 8.318 2.434 10.831 216 1HD2 ASN 32 1HD2 ASN 32 7.039 0.200 9.235 217 2HD2 ASN 32 2HD2 ASN 32 8.320 -0.375 8.227 218 H ASP 33 H ASP 33 5.022 4.177 8.967 219 HA ASP 33 HA ASP 33 3.733 5.125 11.289 220 2HB ASP 33 2HB ASP 33 5.509 7.312 10.558 221 H ARG 34 H ARG 34 4.909 5.717 8.050 222 HA ARG 34 HA ARG 34 2.821 7.693 7.551 223 2HB ARG 34 2HB ARG 34 3.979 8.299 5.639 224 2HG ARG 34 2HG ARG 34 5.972 7.235 7.599 225 2HD ARG 34 2HD ARG 34 6.614 8.772 5.086 226 HE ARG 34 HE ARG 34 8.454 9.273 6.342 227 1HH1 ARG 34 2HH1 ARG 34 7.525 5.979 6.978 228 2HH1 ARG 34 1HH1 ARG 34 8.915 5.638 7.954 229 1HH2 ARG 34 2HH2 ARG 34 10.289 8.836 7.624 230 2HH2 ARG 34 1HH2 ARG 34 10.486 7.264 8.322 231 H GLN 35 H GLN 35 0.898 7.112 6.809 232 HA GLN 35 HA GLN 35 0.685 4.625 5.242 233 2HB GLN 35 2HB GLN 35 -0.536 3.917 7.008 234 2HG GLN 35 2HG GLN 35 -1.107 6.787 7.703 235 1HE2 GLN 35 1HE2 GLN 35 -0.744 4.436 10.115 236 2HE2 GLN 35 2HE2 GLN 35 -2.402 4.312 10.584 237 H GLY 36 H GLY 36 -0.575 4.652 3.420 238 1HA GLY 36 2HA GLY 36 -2.276 6.914 2.822 239 2HA GLY 36 1HA GLY 36 -0.812 6.838 1.852 240 H PHE 37 H PHE 37 -2.758 6.758 0.260 241 HA PHE 37 HA PHE 37 -3.854 4.085 -0.059 242 2HB PHE 37 2HB PHE 37 -4.997 5.157 -2.063 243 HD1 PHE 37 HD1 PHE 37 -5.221 7.926 0.226 244 HD2 PHE 37 HD2 PHE 37 -6.609 3.980 -0.565 245 HE1 PHE 37 HE1 PHE 37 -7.108 8.285 1.762 246 HE2 PHE 37 HE2 PHE 37 -8.499 4.334 0.969 247 HZ PHE 37 HZ PHE 37 -8.751 6.490 2.135 248 H VAL 38 H VAL 38 -2.961 2.571 -1.288 249 HA VAL 38 HA VAL 38 -1.119 3.399 -3.434 250 HB VAL 38 HB VAL 38 0.016 1.111 -2.912 251 1HG1 VAL 38 1HG1 VAL 38 0.432 3.795 -1.969 252 2HG1 VAL 38 2HG1 VAL 38 1.035 2.628 -0.792 253 3HG1 VAL 38 3HG1 VAL 38 1.617 2.585 -2.457 254 1HG2 VAL 38 1HG2 VAL 38 -1.531 1.676 -0.409 255 2HG2 VAL 38 2HG2 VAL 38 -1.357 0.158 -1.288 256 3HG2 VAL 38 3HG2 VAL 38 -0.005 0.796 -0.353 257 HA PRO 39 HA PRO 39 -3.371 0.815 -6.175 258 2HB PRO 39 2HB PRO 39 -1.962 1.536 -7.840 259 2HG PRO 39 2HG PRO 39 0.302 1.877 -7.431 260 2HD PRO 39 2HD PRO 39 -0.602 3.062 -5.673 261 H ALA 40 H ALA 40 -4.282 -1.035 -5.540 262 HA ALA 40 HA ALA 40 -3.144 -3.033 -4.006 263 1HB ALA 40 1HB ALA 40 -5.062 -4.361 -5.486 264 2HB ALA 40 2HB ALA 40 -5.323 -3.495 -3.972 265 3HB ALA 40 3HB ALA 40 -5.597 -2.682 -5.513 266 H ALA 41 H ALA 41 -2.669 -2.368 -7.319 267 HA ALA 41 HA ALA 41 -2.043 -4.985 -8.231 268 1HB ALA 41 1HB ALA 41 -1.721 -4.012 -10.229 269 2HB ALA 41 2HB ALA 41 -2.432 -2.595 -9.455 270 3HB ALA 41 3HB ALA 41 -0.679 -2.754 -9.564 271 H TYR 42 H TYR 42 -0.267 -2.539 -6.515 272 HA TYR 42 HA TYR 42 2.286 -3.857 -6.977 273 2HB TYR 42 2HB TYR 42 3.131 -2.002 -5.450 274 HD1 TYR 42 HD1 TYR 42 0.640 -1.577 -8.207 275 HD2 TYR 42 HD2 TYR 42 4.524 -0.674 -6.722 276 HE1 TYR 42 HE1 TYR 42 1.158 -0.391 -10.299 277 HE2 TYR 42 HE2 TYR 42 5.053 0.515 -8.810 278 HH TYR 42 HH TYR 42 2.631 1.199 -11.198 279 H VAL 43 H VAL 43 -0.292 -4.145 -4.862 280 HA VAL 43 HA VAL 43 1.407 -5.535 -2.898 281 HB VAL 43 HB VAL 43 -0.448 -4.914 -1.217 282 1HG1 VAL 43 1HG1 VAL 43 1.972 -3.676 -1.974 283 2HG1 VAL 43 2HG1 VAL 43 0.829 -2.388 -1.590 284 3HG1 VAL 43 3HG1 VAL 43 1.177 -3.643 -0.400 285 1HG2 VAL 43 1HG2 VAL 43 -1.023 -3.055 -3.488 286 2HG2 VAL 43 2HG2 VAL 43 -2.145 -3.965 -2.476 287 3HG2 VAL 43 3HG2 VAL 43 -1.323 -2.546 -1.827 288 H LYS 44 H LYS 44 -0.164 -6.915 -1.415 289 HA LYS 44 HA LYS 44 -2.518 -7.983 -2.521 290 2HB LYS 44 2HB LYS 44 -0.108 -9.765 -2.904 291 2HG LYS 44 2HG LYS 44 -2.890 -10.055 -4.013 292 2HD LYS 44 2HD LYS 44 -1.281 -11.138 -5.407 293 2HE LYS 44 2HE LYS 44 0.002 -11.760 -2.831 294 1HZ LYS 44 1HZ LYS 44 -0.667 -13.867 -4.582 295 2HZ LYS 44 2HZ LYS 44 0.211 -13.928 -3.139 296 3HZ LYS 44 3HZ LYS 44 1.010 -13.640 -4.602 297 H LYS 45 H LYS 45 -3.584 -9.082 -0.980 298 HA LYS 45 HA LYS 45 -2.696 -9.179 1.645 299 2HB LYS 45 2HB LYS 45 -4.561 -11.233 1.470 300 2HG LYS 45 2HG LYS 45 -5.473 -8.393 1.563 301 2HD LYS 45 2HD LYS 45 -6.492 -9.693 3.715 302 2HE LYS 45 2HE LYS 45 -7.980 -10.224 1.237 303 1HZ LYS 45 1HZ LYS 45 -8.983 -10.134 3.464 304 2HZ LYS 45 2HZ LYS 45 -9.678 -9.018 2.401 305 3HZ LYS 45 3HZ LYS 45 -8.579 -8.495 3.576 306 H LEU 46 H LEU 46 -2.152 -10.966 3.018 307 HA LEU 46 HA LEU 46 -0.808 -13.163 1.586 308 2HB LEU 46 2HB LEU 46 0.832 -13.221 3.391 309 HG LEU 46 HG LEU 46 0.563 -10.462 2.202 310 1HD1 LEU 46 1HD1 LEU 46 2.013 -11.014 4.427 311 2HD1 LEU 46 2HD1 LEU 46 2.425 -9.773 3.243 312 3HD1 LEU 46 3HD1 LEU 46 3.187 -11.362 3.158 313 1HD2 LEU 46 1HD2 LEU 46 2.798 -11.991 1.299 314 2HD2 LEU 46 2HD2 LEU 46 1.439 -11.356 0.372 315 3HD2 LEU 46 3HD2 LEU 46 1.330 -12.951 1.118 316 H ASP 47 H ASP 47 -0.393 -15.076 3.125 317 HA ASP 47 HA ASP 47 -2.823 -15.537 4.729 318 2HB ASP 47 2HB ASP 47 -1.385 -17.296 2.777 319 H SER 48 H SER 48 -2.114 -15.215 6.768 320 HA SER 48 HA SER 48 0.349 -16.580 7.612 321 2HB SER 48 2HB SER 48 -1.167 -14.391 9.051 322 HG SER 48 HG SER 48 0.326 -14.581 10.526 323 H GLY 49 H GLY 49 -2.534 -17.598 7.305 324 1HA GLY 49 2HA GLY 49 -4.093 -18.796 8.549 325 2HA GLY 49 1HA GLY 49 -2.627 -19.631 9.045 326 H THR 50 H THR 50 -3.990 -16.429 9.815 327 HA THR 50 HA THR 50 -4.160 -17.231 12.629 328 HB THR 50 HB THR 50 -2.038 -16.154 12.598 329 HG1 THR 50 HG1 THR 50 -3.835 -14.090 13.362 330 1HG2 THR 50 1HG2 THR 50 -2.600 -14.998 10.338 331 2HG2 THR 50 2HG2 THR 50 -1.486 -14.208 11.454 332 3HG2 THR 50 3HG2 THR 50 -3.163 -13.673 11.354 333 H GLY 51 H GLY 51 -4.987 -14.936 10.087 334 1HA GLY 51 2HA GLY 51 -7.292 -14.278 9.808 335 2HA GLY 51 1HA GLY 51 -7.477 -14.353 11.554 336 H LYS 52 H LYS 52 -4.665 -12.887 10.128 337 HA LYS 52 HA LYS 52 -5.475 -10.320 11.259 338 2HB LYS 52 2HB LYS 52 -3.071 -9.699 10.679 339 2HG LYS 52 2HG LYS 52 -2.060 -11.247 12.433 340 2HD LYS 52 2HD LYS 52 -3.545 -10.256 14.259 341 2HE LYS 52 2HE LYS 52 -2.972 -7.855 12.892 342 1HZ LYS 52 1HZ LYS 52 -1.842 -9.423 15.058 343 2HZ LYS 52 2HZ LYS 52 -2.245 -7.782 15.005 344 3HZ LYS 52 3HZ LYS 52 -0.787 -8.317 14.333 345 H GLU 53 H GLU 53 -4.333 -8.432 9.841 346 HA GLU 53 HA GLU 53 -5.312 -8.770 7.082 347 2HB GLU 53 2HB GLU 53 -6.291 -6.623 7.095 348 2HG GLU 53 2HG GLU 53 -6.919 -7.323 9.919 349 H LEU 54 H LEU 54 -3.197 -9.194 6.356 350 HA LEU 54 HA LEU 54 -1.433 -6.834 6.355 351 2HB LEU 54 2HB LEU 54 0.041 -8.134 7.403 352 HG LEU 54 HG LEU 54 -1.711 -9.880 7.924 353 1HD1 LEU 54 1HD1 LEU 54 -1.173 -10.578 5.212 354 2HD1 LEU 54 2HD1 LEU 54 -2.362 -11.263 6.321 355 3HD1 LEU 54 3HD1 LEU 54 -0.730 -11.929 6.254 356 1HD2 LEU 54 1HD2 LEU 54 0.881 -11.258 7.448 357 2HD2 LEU 54 2HD2 LEU 54 -0.141 -11.233 8.885 358 3HD2 LEU 54 3HD2 LEU 54 0.863 -9.837 8.493 359 H VAL 55 H VAL 55 -0.016 -6.670 4.460 360 HA VAL 55 HA VAL 55 -0.859 -8.149 2.095 361 HB VAL 55 HB VAL 55 -0.805 -5.676 0.997 362 1HG1 VAL 55 1HG1 VAL 55 -2.501 -7.203 0.430 363 2HG1 VAL 55 2HG1 VAL 55 -3.108 -7.271 2.085 364 3HG1 VAL 55 3HG1 VAL 55 -3.344 -5.816 1.116 365 1HG2 VAL 55 1HG2 VAL 55 -2.239 -4.222 2.409 366 2HG2 VAL 55 2HG2 VAL 55 -2.027 -5.363 3.737 367 3HG2 VAL 55 3HG2 VAL 55 -0.634 -4.497 3.088 368 H LEU 56 H LEU 56 0.914 -8.758 1.059 369 HA LEU 56 HA LEU 56 3.460 -7.545 1.633 370 2HB LEU 56 2HB LEU 56 2.802 -9.672 -0.399 371 HG LEU 56 HG LEU 56 5.093 -10.528 0.121 372 1HD1 LEU 56 1HD1 LEU 56 5.708 -9.541 -1.768 373 2HD1 LEU 56 2HD1 LEU 56 5.805 -7.967 -0.979 374 3HD1 LEU 56 3HD1 LEU 56 4.271 -8.526 -1.645 375 1HD2 LEU 56 1HD2 LEU 56 6.518 -9.484 1.509 376 2HD2 LEU 56 2HD2 LEU 56 5.052 -8.783 2.197 377 3HD2 LEU 56 3HD2 LEU 56 5.990 -7.876 1.010 378 H ALA 57 H ALA 57 4.891 -6.643 0.073 379 HA ALA 57 HA ALA 57 3.484 -5.121 -1.982 380 1HB ALA 57 1HB ALA 57 5.795 -3.983 -2.142 381 2HB ALA 57 2HB ALA 57 4.804 -3.695 -0.710 382 3HB ALA 57 3HB ALA 57 6.145 -4.838 -0.640 383 H LEU 58 H LEU 58 3.307 -6.102 -3.893 384 HA LEU 58 HA LEU 58 5.169 -8.077 -4.803 385 2HB LEU 58 2HB LEU 58 3.756 -8.379 -6.631 386 HG LEU 58 HG LEU 58 1.896 -7.285 -4.520 387 1HD1 LEU 58 1HD1 LEU 58 0.138 -7.984 -5.726 388 2HD1 LEU 58 2HD1 LEU 58 0.991 -9.398 -6.344 389 3HD1 LEU 58 3HD1 LEU 58 1.240 -7.821 -7.094 390 1HD2 LEU 58 1HD2 LEU 58 1.624 -9.732 -4.004 391 2HD2 LEU 58 2HD2 LEU 58 3.185 -9.037 -3.568 392 3HD2 LEU 58 3HD2 LEU 58 3.037 -10.027 -5.020 393 H TYR 59 H TYR 59 4.606 -4.671 -5.431 394 HA TYR 59 HA TYR 59 7.062 -4.636 -7.055 395 2HB TYR 59 2HB TYR 59 6.137 -3.085 -8.578 396 HD1 TYR 59 HD1 TYR 59 2.908 -3.280 -8.839 397 HD2 TYR 59 HD2 TYR 59 6.130 -6.048 -8.568 398 HE1 TYR 59 HE1 TYR 59 1.566 -4.952 -10.045 399 HE2 TYR 59 HE2 TYR 59 4.796 -7.726 -9.775 400 HH TYR 59 HH TYR 59 1.418 -7.210 -10.506 401 H ASP 60 H ASP 60 7.589 -2.073 -7.345 402 HA ASP 60 HA ASP 60 7.886 -1.106 -4.588 403 2HB ASP 60 2HB ASP 60 9.548 -0.914 -7.048 404 H TYR 61 H TYR 61 6.616 0.496 -3.961 405 HA TYR 61 HA TYR 61 5.682 2.427 -5.983 406 2HB TYR 61 2HB TYR 61 4.203 1.492 -3.514 407 HD1 TYR 61 HD1 TYR 61 2.541 2.306 -6.618 408 HD2 TYR 61 HD2 TYR 61 3.796 3.872 -2.866 409 HE1 TYR 61 HE1 TYR 61 0.998 4.201 -6.899 410 HE2 TYR 61 HE2 TYR 61 2.256 5.771 -3.137 411 HH TYR 61 HH TYR 61 0.502 6.303 -6.123 412 H GLN 62 H GLN 62 4.981 4.545 -4.957 413 HA GLN 62 HA GLN 62 6.435 5.253 -2.540 414 2HB GLN 62 2HB GLN 62 7.122 6.252 -5.276 415 2HG GLN 62 2HG GLN 62 6.501 8.253 -3.917 416 1HE2 GLN 62 1HE2 GLN 62 6.044 7.864 -1.726 417 2HE2 GLN 62 2HE2 GLN 62 7.257 8.046 -0.508 418 H GLU 63 H GLU 63 5.086 6.393 -1.332 419 HA GLU 63 HA GLU 63 3.133 8.144 -2.677 420 2HB GLU 63 2HB GLU 63 2.489 7.234 0.051 421 2HG GLU 63 2HG GLU 63 0.328 7.328 -0.623 422 H SER 64 H SER 64 2.768 10.174 -1.824 423 HA SER 64 HA SER 64 4.583 11.007 0.343 424 2HB SER 64 2HB SER 64 5.317 11.843 -1.880 425 HG SER 64 HG SER 64 2.678 12.727 -1.928 426 H GLY 65 H GLY 65 3.171 11.058 2.026 427 1HA GLY 65 2HA GLY 65 1.596 12.023 3.402 428 2HA GLY 65 1HA GLY 65 1.353 13.253 2.171 429 H ASP 66 H ASP 66 -0.174 10.911 3.854 430 HA ASP 66 HA ASP 66 -1.663 9.308 2.314 431 2HB ASP 66 2HB ASP 66 -1.937 9.763 4.801 432 H ASN 67 H ASN 67 -2.307 9.750 0.292 433 HA ASN 67 HA ASN 67 -4.036 12.104 -0.100 434 2HB ASN 67 2HB ASN 67 -3.204 12.224 -2.421 435 1HD2 ASN 67 1HD2 ASN 67 -2.941 13.668 -0.082 436 2HD2 ASN 67 2HD2 ASN 67 -1.336 14.299 0.016 437 H ALA 68 H ALA 68 -5.960 11.785 -1.086 438 HA ALA 68 HA ALA 68 -7.012 9.167 -1.257 439 1HB ALA 68 1HB ALA 68 -8.693 10.632 -0.832 440 2HB ALA 68 2HB ALA 68 -7.998 11.898 -1.844 441 3HB ALA 68 3HB ALA 68 -8.858 10.548 -2.586 442 HA PRO 69 HA PRO 69 -5.799 7.947 -5.313 443 2HB PRO 69 2HB PRO 69 -6.361 5.814 -4.672 444 2HG PRO 69 2HG PRO 69 -8.144 5.424 -3.232 445 2HD PRO 69 2HD PRO 69 -7.025 7.054 -2.046 446 H SER 70 H SER 70 -9.161 7.233 -5.764 447 HA SER 70 HA SER 70 -10.806 8.170 -7.049 448 2HB SER 70 2HB SER 70 -9.215 10.601 -7.711 449 HG SER 70 HG SER 70 -11.867 10.163 -6.792 450 H TYR 71 H TYR 71 -7.541 8.876 -8.266 451 HA TYR 71 HA TYR 71 -8.385 8.410 -11.001 452 2HB TYR 71 2HB TYR 71 -6.823 10.172 -10.778 453 HD1 TYR 71 HD1 TYR 71 -6.308 11.027 -8.601 454 HD2 TYR 71 HD2 TYR 71 -4.312 7.570 -10.075 455 HE1 TYR 71 HE1 TYR 71 -4.672 11.200 -6.773 456 HE2 TYR 71 HE2 TYR 71 -2.671 7.733 -8.250 457 HH TYR 71 HH TYR 71 -2.170 10.395 -6.460 458 H SER 72 H SER 72 -6.828 7.014 -12.361 459 HA SER 72 HA SER 72 -6.979 4.347 -11.334 460 2HB SER 72 2HB SER 72 -7.403 4.736 -13.690 461 HG SER 72 HG SER 72 -5.480 5.304 -14.991 462 HA PRO 73 HA PRO 73 -2.977 3.963 -9.554 463 2HB PRO 73 2HB PRO 73 -3.739 2.004 -8.627 464 2HG PRO 73 2HG PRO 73 -5.213 0.625 -9.780 465 2HD PRO 73 2HD PRO 73 -6.298 2.646 -10.009 466 HA PRO 74 HA PRO 74 0.042 3.969 -12.759 467 2HB PRO 74 2HB PRO 74 1.505 4.814 -11.202 468 2HG PRO 74 2HG PRO 74 1.442 4.108 -8.988 469 2HD PRO 74 2HD PRO 74 -0.787 4.601 -9.311 470 HA PRO 75 HA PRO 75 0.369 -0.136 -14.347 471 2HB PRO 75 2HB PRO 75 0.685 0.845 -16.400 472 2HG PRO 75 2HG PRO 75 1.849 2.847 -16.608 473 2HD PRO 75 2HD PRO 75 0.372 3.418 -14.934 474 HA PRO 76 HA PRO 76 3.660 -1.783 -11.815 475 2HB PRO 76 2HB PRO 76 2.152 -3.388 -11.165 476 2HG PRO 76 2HG PRO 76 0.456 -4.089 -12.593 477 2HD PRO 76 2HD PRO 76 0.180 -1.805 -12.739 478 HA PRO 77 HA PRO 77 6.930 -2.899 -14.534 479 2HB PRO 77 2HB PRO 77 8.260 -3.213 -12.686 480 2HG PRO 77 2HG PRO 77 7.417 -4.195 -10.755 481 2HD PRO 77 2HD PRO 77 5.796 -2.600 -11.129 Start of MODEL 20 1 1H GLY 1 1H GLY 1 2.460 26.529 3.959 2 1HA GLY 1 2HA GLY 1 3.690 24.179 4.923 3 2HA GLY 1 1HA GLY 1 1.962 24.498 4.908 4 H ALA 2 H ALA 2 2.559 21.975 4.535 5 HA ALA 2 HA ALA 2 1.783 21.507 1.784 6 1HB ALA 2 1HB ALA 2 4.032 21.335 1.297 7 2HB ALA 2 2HB ALA 2 4.431 20.654 2.875 8 3HB ALA 2 3HB ALA 2 3.612 19.662 1.668 9 H MET 3 H MET 3 1.692 18.939 1.500 10 HA MET 3 HA MET 3 -0.307 18.035 3.241 11 2HB MET 3 2HB MET 3 -0.001 15.839 2.134 12 2HG MET 3 2HG MET 3 0.020 18.255 0.355 13 1HE MET 3 1HE MET 3 -2.367 17.220 -1.031 14 2HE MET 3 2HE MET 3 -1.712 16.842 -2.624 15 3HE MET 3 3HE MET 3 -2.368 15.554 -1.612 16 H GLY 4 H GLY 4 0.119 15.536 4.061 17 1HA GLY 4 2HA GLY 4 1.769 15.901 6.375 18 2HA GLY 4 1HA GLY 4 0.863 14.454 5.959 19 HA PRO 5 HA PRO 5 5.573 14.225 4.949 20 2HB PRO 5 2HB PRO 5 6.503 15.093 6.862 21 2HG PRO 5 2HG PRO 5 5.312 15.143 8.859 22 2HD PRO 5 2HD PRO 5 3.752 16.078 7.444 23 H ARG 6 H ARG 6 3.186 12.333 6.555 24 HA ARG 6 HA ARG 6 4.420 9.837 6.693 25 2HB ARG 6 2HB ARG 6 2.129 8.905 6.604 26 2HG ARG 6 2HG ARG 6 2.824 11.152 8.383 27 2HD ARG 6 2HD ARG 6 0.622 11.849 8.180 28 HE ARG 6 HE ARG 6 -0.618 10.379 6.908 29 1HH1 ARG 6 2HH1 ARG 6 0.361 8.860 9.884 30 2HH1 ARG 6 1HH1 ARG 6 -0.685 7.494 9.683 31 1HH2 ARG 6 2HH2 ARG 6 -2.000 8.585 6.632 32 2HH2 ARG 6 1HH2 ARG 6 -2.028 7.339 7.833 33 H GLU 7 H GLU 7 5.615 9.177 4.980 34 HA GLU 7 HA GLU 7 4.259 9.001 2.371 35 2HB GLU 7 2HB GLU 7 6.119 10.292 1.927 36 2HG GLU 7 2HG GLU 7 7.863 8.590 3.685 37 H VAL 8 H VAL 8 3.390 7.024 2.223 38 HA VAL 8 HA VAL 8 4.694 4.711 3.369 39 HB VAL 8 HB VAL 8 2.128 5.192 3.174 40 1HG1 VAL 8 1HG1 VAL 8 2.679 3.817 0.547 41 2HG1 VAL 8 2HG1 VAL 8 1.087 4.131 1.238 42 3HG1 VAL 8 3HG1 VAL 8 2.117 5.476 0.744 43 1HG2 VAL 8 1HG2 VAL 8 3.035 3.222 4.229 44 2HG2 VAL 8 2HG2 VAL 8 1.694 2.753 3.185 45 3HG2 VAL 8 3HG2 VAL 8 3.355 2.485 2.659 46 H THR 9 H THR 9 6.008 3.351 2.341 47 HA THR 9 HA THR 9 6.052 3.395 -0.605 48 HB THR 9 HB THR 9 8.465 3.118 -0.590 49 HG1 THR 9 HG1 THR 9 8.232 2.190 1.748 50 1HG2 THR 9 1HG2 THR 9 7.379 5.423 -0.428 51 2HG2 THR 9 2HG2 THR 9 9.089 5.315 -0.010 52 3HG2 THR 9 3HG2 THR 9 7.874 5.411 1.264 53 H MET 10 H MET 10 5.704 1.474 -1.498 54 HA MET 10 HA MET 10 6.116 -0.929 0.154 55 2HB MET 10 2HB MET 10 4.170 -1.772 -0.609 56 2HG MET 10 2HG MET 10 3.747 1.016 -1.659 57 1HE MET 10 1HE MET 10 2.281 0.753 -3.600 58 2HE MET 10 2HE MET 10 2.596 -0.980 -3.684 59 3HE MET 10 3HE MET 10 0.939 -0.380 -3.762 60 H LYS 11 H LYS 11 8.191 -1.479 -0.357 61 HA LYS 11 HA LYS 11 8.963 -1.666 -3.167 62 2HB LYS 11 2HB LYS 11 11.054 -2.591 -1.511 63 2HG LYS 11 2HG LYS 11 10.800 0.227 -2.510 64 2HD LYS 11 2HD LYS 11 13.252 -1.437 -2.718 65 2HE LYS 11 2HE LYS 11 13.098 1.360 -1.695 66 1HZ LYS 11 1HZ LYS 11 15.000 1.071 -3.654 67 2HZ LYS 11 2HZ LYS 11 15.068 -0.377 -2.783 68 3HZ LYS 11 3HZ LYS 11 15.268 1.100 -1.984 69 H LYS 12 H LYS 12 9.465 -3.561 -4.199 70 HA LYS 12 HA LYS 12 8.108 -5.847 -3.779 71 2HB LYS 12 2HB LYS 12 10.909 -6.278 -4.656 72 2HG LYS 12 2HG LYS 12 8.259 -7.261 -5.327 73 2HD LYS 12 2HD LYS 12 8.700 -5.827 -7.320 74 2HE LYS 12 2HE LYS 12 11.009 -7.721 -7.753 75 1HZ LYS 12 1HZ LYS 12 11.254 -6.817 -9.795 76 2HZ LYS 12 2HZ LYS 12 10.617 -5.314 -9.350 77 3HZ LYS 12 3HZ LYS 12 9.580 -6.613 -9.666 78 H GLY 13 H GLY 13 7.922 -7.140 -2.076 79 1HA GLY 13 2HA GLY 13 8.695 -8.758 -0.562 80 2HA GLY 13 1HA GLY 13 10.327 -8.142 -0.769 81 H ASP 14 H ASP 14 7.253 -6.656 0.254 82 HA ASP 14 HA ASP 14 8.413 -6.099 2.873 83 2HB ASP 14 2HB ASP 14 7.020 -3.773 1.735 84 H ILE 15 H ILE 15 6.869 -5.623 4.492 85 HA ILE 15 HA ILE 15 4.122 -6.383 3.750 86 HB ILE 15 HB ILE 15 5.377 -6.636 6.481 87 2HG1 ILE 15 2HG1 ILE 15 6.262 -8.080 4.434 88 1HG2 ILE 15 1HG2 ILE 15 3.376 -7.291 7.209 89 2HG2 ILE 15 2HG2 ILE 15 2.725 -6.670 5.694 90 3HG2 ILE 15 3HG2 ILE 15 3.150 -8.375 5.837 91 1HD1 ILE 15 1HD1 ILE 15 5.544 -9.336 7.072 92 2HD1 ILE 15 2HD1 ILE 15 6.708 -9.964 5.906 93 3HD1 ILE 15 3HD1 ILE 15 7.014 -8.430 6.719 94 H LEU 16 H LEU 16 2.427 -5.130 4.368 95 HA LEU 16 HA LEU 16 2.883 -2.885 6.174 96 2HB LEU 16 2HB LEU 16 2.388 -1.213 4.707 97 HG LEU 16 HG LEU 16 4.314 -2.807 3.680 98 1HD1 LEU 16 1HD1 LEU 16 3.256 -4.075 2.113 99 2HD1 LEU 16 2HD1 LEU 16 3.623 -2.658 1.129 100 3HD1 LEU 16 3HD1 LEU 16 2.009 -2.864 1.810 101 1HD2 LEU 16 1HD2 LEU 16 5.003 -0.748 3.224 102 2HD2 LEU 16 2HD2 LEU 16 3.354 -0.133 3.327 103 3HD2 LEU 16 3HD2 LEU 16 3.970 -0.751 1.793 104 H THR 17 H THR 17 1.221 -2.613 7.516 105 HA THR 17 HA THR 17 -0.869 -4.293 7.849 106 HB THR 17 HB THR 17 -0.997 -1.316 8.369 107 HG1 THR 17 HG1 THR 17 -0.373 -2.177 10.551 108 1HG2 THR 17 1HG2 THR 17 -3.185 -2.431 8.513 109 2HG2 THR 17 2HG2 THR 17 -2.621 -1.893 10.096 110 3HG2 THR 17 3HG2 THR 17 -2.509 -3.596 9.651 111 H LEU 18 H LEU 18 -2.600 -4.856 6.714 112 HA LEU 18 HA LEU 18 -3.306 -3.591 4.283 113 2HB LEU 18 2HB LEU 18 -5.046 -5.470 5.860 114 HG LEU 18 HG LEU 18 -5.167 -6.387 3.328 115 1HD1 LEU 18 1HD1 LEU 18 -6.962 -4.194 4.335 116 2HD1 LEU 18 2HD1 LEU 18 -7.001 -5.841 4.962 117 3HD1 LEU 18 3HD1 LEU 18 -7.375 -5.536 3.267 118 1HD2 LEU 18 1HD2 LEU 18 -5.388 -4.592 1.771 119 2HD2 LEU 18 2HD2 LEU 18 -3.810 -4.439 2.546 120 3HD2 LEU 18 3HD2 LEU 18 -5.141 -3.389 3.036 121 H LEU 19 H LEU 19 -3.512 -1.391 5.271 122 HA LEU 19 HA LEU 19 -5.581 -0.657 6.992 123 2HB LEU 19 2HB LEU 19 -5.357 1.538 5.442 124 HG LEU 19 HG LEU 19 -4.731 1.700 7.739 125 1HD1 LEU 19 1HD1 LEU 19 -2.498 -0.155 6.976 126 2HD1 LEU 19 2HD1 LEU 19 -3.726 -0.364 8.223 127 3HD1 LEU 19 3HD1 LEU 19 -2.447 0.831 8.438 128 1HD2 LEU 19 1HD2 LEU 19 -2.908 3.179 7.596 129 2HD2 LEU 19 2HD2 LEU 19 -3.701 3.266 6.023 130 3HD2 LEU 19 3HD2 LEU 19 -2.219 2.329 6.214 131 H ASN 20 H ASN 20 -7.251 1.112 5.994 132 HA ASN 20 HA ASN 20 -9.390 -0.227 5.002 133 2HB ASN 20 2HB ASN 20 -9.372 2.384 3.789 134 1HD2 ASN 20 1HD2 ASN 20 -11.499 1.721 3.482 135 2HD2 ASN 20 2HD2 ASN 20 -12.649 1.711 4.771 136 H SER 21 H SER 21 -9.167 -1.662 3.365 137 HA SER 21 HA SER 21 -7.939 -0.778 0.859 138 2HB SER 21 2HB SER 21 -7.085 -2.882 1.559 139 HG SER 21 HG SER 21 -9.781 -3.477 2.109 140 H THR 22 H THR 22 -10.705 -0.095 1.951 141 HA THR 22 HA THR 22 -12.810 -1.251 0.718 142 HB THR 22 HB THR 22 -13.304 0.628 2.038 143 HG1 THR 22 HG1 THR 22 -14.698 1.676 0.720 144 1HG2 THR 22 1HG2 THR 22 -12.274 2.672 1.979 145 2HG2 THR 22 2HG2 THR 22 -12.006 2.609 0.236 146 3HG2 THR 22 3HG2 THR 22 -10.975 1.677 1.323 147 H ASN 23 H ASN 23 -10.977 1.404 -0.814 148 HA ASN 23 HA ASN 23 -12.150 0.975 -3.367 149 2HB ASN 23 2HB ASN 23 -9.588 2.330 -3.483 150 1HD2 ASN 23 1HD2 ASN 23 -10.028 2.909 -5.516 151 2HD2 ASN 23 2HD2 ASN 23 -11.383 3.868 -5.998 152 H LYS 24 H LYS 24 -11.820 -0.869 -4.434 153 HA LYS 24 HA LYS 24 -9.670 -2.609 -4.161 154 2HB LYS 24 2HB LYS 24 -11.856 -3.149 -5.235 155 2HG LYS 24 2HG LYS 24 -10.680 -1.653 -7.566 156 2HD LYS 24 2HD LYS 24 -13.083 -2.493 -8.435 157 2HE LYS 24 2HE LYS 24 -10.336 -3.189 -8.899 158 1HZ LYS 24 1HZ LYS 24 -10.524 -5.403 -8.640 159 2HZ LYS 24 2HZ LYS 24 -11.265 -5.331 -10.158 160 3HZ LYS 24 3HZ LYS 24 -12.212 -5.404 -8.758 161 H ASP 25 H ASP 25 -10.109 0.124 -6.339 162 HA ASP 25 HA ASP 25 -7.863 -0.335 -7.976 163 2HB ASP 25 2HB ASP 25 -8.223 1.811 -8.845 164 H TRP 26 H TRP 26 -8.227 1.132 -4.831 165 HA TRP 26 HA TRP 26 -5.309 1.313 -4.632 166 2HB TRP 26 2HB TRP 26 -5.571 3.497 -3.403 167 HD1 TRP 26 HD1 TRP 26 -7.662 3.859 -6.607 168 HE1 TRP 26 HE1 TRP 26 -6.203 4.980 -8.407 169 HE3 TRP 26 HE3 TRP 26 -3.199 3.905 -4.116 170 HZ2 TRP 26 HZ2 TRP 26 -3.514 5.777 -8.728 171 HZ3 TRP 26 HZ3 TRP 26 -1.230 4.865 -5.240 172 HH2 TRP 26 HH2 TRP 26 -1.387 5.780 -7.498 173 H TRP 27 H TRP 27 -4.751 0.042 -3.002 174 HA TRP 27 HA TRP 27 -6.612 -0.332 -0.769 175 2HB TRP 27 2HB TRP 27 -4.681 -2.126 -0.256 176 HD1 TRP 27 HD1 TRP 27 -7.865 -1.462 -2.116 177 HE1 TRP 27 HE1 TRP 27 -9.258 -3.622 -2.258 178 HE3 TRP 27 HE3 TRP 27 -4.349 -4.801 -0.498 179 HZ2 TRP 27 HZ2 TRP 27 -8.911 -6.376 -1.750 180 HZ3 TRP 27 HZ3 TRP 27 -4.959 -7.180 -0.353 181 HH2 TRP 27 HH2 TRP 27 -7.195 -7.949 -0.966 182 H LYS 28 H LYS 28 -6.327 1.052 0.850 183 HA LYS 28 HA LYS 28 -3.996 2.525 1.358 184 2HB LYS 28 2HB LYS 28 -5.924 1.881 3.557 185 2HG LYS 28 2HG LYS 28 -5.050 4.602 2.679 186 2HD LYS 28 2HD LYS 28 -5.596 3.524 5.437 187 2HE LYS 28 2HE LYS 28 -5.065 6.169 4.227 188 1HZ LYS 28 1HZ LYS 28 -6.946 5.867 6.506 189 2HZ LYS 28 2HZ LYS 28 -7.382 6.379 4.954 190 3HZ LYS 28 3HZ LYS 28 -6.338 7.322 5.894 191 H VAL 29 H VAL 29 -2.241 2.199 2.623 192 HA VAL 29 HA VAL 29 -2.150 -0.113 4.402 193 HB VAL 29 HB VAL 29 -0.136 -1.020 3.491 194 1HG1 VAL 29 1HG1 VAL 29 -0.899 -1.513 1.089 195 2HG1 VAL 29 2HG1 VAL 29 -1.968 -1.983 2.411 196 3HG1 VAL 29 3HG1 VAL 29 -2.305 -0.522 1.480 197 1HG2 VAL 29 1HG2 VAL 29 1.069 0.893 2.803 198 2HG2 VAL 29 2HG2 VAL 29 0.803 -0.059 1.343 199 3HG2 VAL 29 3HG2 VAL 29 -0.188 1.366 1.659 200 H GLU 30 H GLU 30 -0.834 0.160 6.148 201 HA GLU 30 HA GLU 30 0.427 2.794 6.406 202 2HB GLU 30 2HB GLU 30 -0.456 0.770 8.463 203 2HG GLU 30 2HG GLU 30 0.812 3.453 8.965 204 H VAL 31 H VAL 31 2.476 2.921 7.613 205 HA VAL 31 HA VAL 31 4.135 0.515 7.475 206 HB VAL 31 HB VAL 31 4.843 3.130 6.141 207 1HG1 VAL 31 1HG1 VAL 31 6.516 0.917 7.137 208 2HG1 VAL 31 2HG1 VAL 31 6.874 1.483 5.504 209 3HG1 VAL 31 3HG1 VAL 31 6.919 2.611 6.860 210 1HG2 VAL 31 1HG2 VAL 31 3.370 1.267 5.031 211 2HG2 VAL 31 2HG2 VAL 31 4.654 2.058 4.117 212 3HG2 VAL 31 3HG2 VAL 31 4.924 0.460 4.815 213 H ASN 32 H ASN 32 3.424 1.136 9.837 214 HA ASN 32 HA ASN 32 4.269 1.558 11.918 215 2HB ASN 32 2HB ASN 32 6.555 2.089 12.230 216 1HD2 ASN 32 1HD2 ASN 32 6.974 1.619 8.838 217 2HD2 ASN 32 2HD2 ASN 32 7.360 -0.064 8.903 218 H ASP 33 H ASP 33 5.422 4.257 9.887 219 HA ASP 33 HA ASP 33 3.741 6.062 11.495 220 2HB ASP 33 2HB ASP 33 5.963 7.540 10.570 221 H ARG 34 H ARG 34 5.001 5.143 8.410 222 HA ARG 34 HA ARG 34 3.702 7.428 7.108 223 2HB ARG 34 2HB ARG 34 5.128 7.158 5.338 224 2HG ARG 34 2HG ARG 34 6.567 5.887 7.640 225 2HD ARG 34 2HD ARG 34 7.292 5.533 4.987 226 HE ARG 34 HE ARG 34 8.153 8.062 5.487 227 1HH1 ARG 34 2HH1 ARG 34 9.743 5.006 4.983 228 2HH1 ARG 34 1HH1 ARG 34 11.159 5.711 4.278 229 1HH2 ARG 34 2HH2 ARG 34 10.012 9.002 4.559 230 2HH2 ARG 34 1HH2 ARG 34 11.312 7.985 4.037 231 H GLN 35 H GLN 35 1.977 7.205 5.769 232 HA GLN 35 HA GLN 35 1.080 4.558 4.970 233 2HB GLN 35 2HB GLN 35 -0.742 4.410 6.278 234 2HG GLN 35 2HG GLN 35 0.311 6.752 7.833 235 1HE2 GLN 35 1HE2 GLN 35 0.444 5.465 10.217 236 2HE2 GLN 35 2HE2 GLN 35 -1.135 4.983 10.725 237 H GLY 36 H GLY 36 -1.314 5.034 3.907 238 1HA GLY 36 2HA GLY 36 -2.204 7.166 2.660 239 2HA GLY 36 1HA GLY 36 -0.687 6.967 1.796 240 H PHE 37 H PHE 37 -2.843 6.928 0.270 241 HA PHE 37 HA PHE 37 -3.901 4.263 -0.044 242 2HB PHE 37 2HB PHE 37 -4.949 5.301 -2.128 243 HD1 PHE 37 HD1 PHE 37 -5.167 8.082 0.174 244 HD2 PHE 37 HD2 PHE 37 -6.681 4.210 -0.743 245 HE1 PHE 37 HE1 PHE 37 -7.104 8.497 1.632 246 HE2 PHE 37 HE2 PHE 37 -8.621 4.620 0.713 247 HZ PHE 37 HZ PHE 37 -8.835 6.767 1.902 248 H VAL 38 H VAL 38 -3.019 2.684 -1.195 249 HA VAL 38 HA VAL 38 -1.088 3.387 -3.309 250 HB VAL 38 HB VAL 38 0.005 1.138 -2.723 251 1HG1 VAL 38 1HG1 VAL 38 0.999 2.418 -0.541 252 2HG1 VAL 38 2HG1 VAL 38 1.475 2.757 -2.206 253 3HG1 VAL 38 3HG1 VAL 38 0.251 3.753 -1.416 254 1HG2 VAL 38 1HG2 VAL 38 -0.213 0.665 -0.220 255 2HG2 VAL 38 2HG2 VAL 38 -1.703 1.604 -0.297 256 3HG2 VAL 38 3HG2 VAL 38 -1.534 0.138 -1.262 257 HA PRO 39 HA PRO 39 -3.375 0.838 -6.055 258 2HB PRO 39 2HB PRO 39 -1.924 1.509 -7.704 259 2HG PRO 39 2HG PRO 39 0.340 1.806 -7.263 260 2HD PRO 39 2HD PRO 39 -0.566 3.031 -5.533 261 H ALA 40 H ALA 40 -4.336 -0.956 -5.319 262 HA ALA 40 HA ALA 40 -3.218 -2.976 -3.796 263 1HB ALA 40 1HB ALA 40 -5.696 -2.448 -4.391 264 2HB ALA 40 2HB ALA 40 -5.434 -3.606 -5.696 265 3HB ALA 40 3HB ALA 40 -5.216 -4.105 -4.020 266 H ALA 41 H ALA 41 -2.887 -2.389 -7.155 267 HA ALA 41 HA ALA 41 -2.342 -5.044 -8.013 268 1HB ALA 41 1HB ALA 41 -2.304 -4.111 -10.030 269 2HB ALA 41 2HB ALA 41 -2.657 -2.573 -9.242 270 3HB ALA 41 3HB ALA 41 -0.987 -3.028 -9.579 271 H TYR 42 H TYR 42 -0.454 -2.563 -6.480 272 HA TYR 42 HA TYR 42 2.073 -3.853 -7.076 273 2HB TYR 42 2HB TYR 42 2.950 -2.036 -5.494 274 HD1 TYR 42 HD1 TYR 42 4.257 -0.551 -6.700 275 HD2 TYR 42 HD2 TYR 42 0.470 -1.697 -8.264 276 HE1 TYR 42 HE1 TYR 42 4.745 0.684 -8.770 277 HE2 TYR 42 HE2 TYR 42 0.948 -0.467 -10.340 278 HH TYR 42 HH TYR 42 2.375 0.850 -11.412 279 H VAL 43 H VAL 43 -0.381 -4.259 -4.840 280 HA VAL 43 HA VAL 43 1.437 -5.706 -3.032 281 HB VAL 43 HB VAL 43 -0.308 -5.144 -1.214 282 1HG1 VAL 43 1HG1 VAL 43 1.717 -4.229 -0.733 283 2HG1 VAL 43 2HG1 VAL 43 1.859 -3.440 -2.306 284 3HG1 VAL 43 3HG1 VAL 43 0.826 -2.742 -1.057 285 1HG2 VAL 43 1HG2 VAL 43 -2.069 -4.149 -2.357 286 2HG2 VAL 43 2HG2 VAL 43 -1.222 -2.768 -1.659 287 3HG2 VAL 43 3HG2 VAL 43 -0.996 -3.172 -3.361 288 H LYS 44 H LYS 44 -0.073 -7.113 -1.484 289 HA LYS 44 HA LYS 44 -2.459 -8.165 -2.602 290 2HB LYS 44 2HB LYS 44 0.109 -9.664 -3.083 291 2HG LYS 44 2HG LYS 44 -1.900 -11.280 -4.040 292 2HD LYS 44 2HD LYS 44 -1.146 -12.872 -2.397 293 2HE LYS 44 2HE LYS 44 1.437 -11.645 -2.514 294 1HZ LYS 44 1HZ LYS 44 1.151 -13.438 -4.586 295 2HZ LYS 44 2HZ LYS 44 0.133 -14.014 -3.365 296 3HZ LYS 44 3HZ LYS 44 1.773 -13.756 -3.045 297 H LYS 45 H LYS 45 -3.488 -9.610 -1.221 298 HA LYS 45 HA LYS 45 -2.703 -9.493 1.504 299 2HB LYS 45 2HB LYS 45 -4.603 -11.526 1.285 300 2HG LYS 45 2HG LYS 45 -5.400 -8.646 1.427 301 2HD LYS 45 2HD LYS 45 -6.374 -10.506 3.435 302 2HE LYS 45 2HE LYS 45 -7.375 -8.405 1.630 303 1HZ LYS 45 1HZ LYS 45 -8.748 -10.508 1.189 304 2HZ LYS 45 2HZ LYS 45 -9.571 -9.081 1.569 305 3HZ LYS 45 3HZ LYS 45 -9.361 -10.275 2.748 306 H LEU 46 H LEU 46 -1.715 -10.960 2.797 307 HA LEU 46 HA LEU 46 -0.571 -13.314 1.467 308 2HB LEU 46 2HB LEU 46 1.084 -13.313 3.265 309 HG LEU 46 HG LEU 46 0.785 -10.646 1.904 310 1HD1 LEU 46 1HD1 LEU 46 3.431 -11.127 2.880 311 2HD1 LEU 46 2HD1 LEU 46 2.288 -11.165 4.222 312 3HD1 LEU 46 3HD1 LEU 46 2.367 -9.751 3.171 313 1HD2 LEU 46 1HD2 LEU 46 2.878 -11.557 0.759 314 2HD2 LEU 46 2HD2 LEU 46 1.334 -12.295 0.336 315 3HD2 LEU 46 3HD2 LEU 46 2.429 -13.116 1.448 316 H ASP 47 H ASP 47 -0.411 -15.313 2.675 317 HA ASP 47 HA ASP 47 -2.873 -15.962 3.981 318 2HB ASP 47 2HB ASP 47 -1.793 -18.229 4.243 319 H SER 48 H SER 48 -3.152 -15.083 5.956 320 HA SER 48 HA SER 48 -0.988 -15.365 7.925 321 2HB SER 48 2HB SER 48 -3.455 -13.702 8.357 322 HG SER 48 HG SER 48 -0.796 -13.156 9.127 323 H GLY 49 H GLY 49 -1.410 -17.577 8.365 324 1HA GLY 49 2HA GLY 49 -3.729 -18.861 8.937 325 2HA GLY 49 1HA GLY 49 -2.238 -19.174 9.814 326 H THR 50 H THR 50 -2.009 -16.668 11.110 327 HA THR 50 HA THR 50 -3.551 -17.131 13.408 328 HB THR 50 HB THR 50 -1.430 -15.917 13.501 329 HG1 THR 50 HG1 THR 50 -3.179 -15.530 15.075 330 1HG2 THR 50 1HG2 THR 50 -2.918 -13.672 12.133 331 2HG2 THR 50 2HG2 THR 50 -1.654 -14.660 11.400 332 3HG2 THR 50 3HG2 THR 50 -1.271 -13.598 12.755 333 H GLY 51 H GLY 51 -4.058 -15.023 10.637 334 1HA GLY 51 2HA GLY 51 -6.280 -14.460 9.935 335 2HA GLY 51 1HA GLY 51 -6.789 -14.535 11.616 336 H LYS 52 H LYS 52 -4.190 -12.803 9.900 337 HA LYS 52 HA LYS 52 -5.148 -10.327 11.179 338 2HB LYS 52 2HB LYS 52 -2.796 -9.503 10.802 339 2HG LYS 52 2HG LYS 52 -1.766 -11.283 12.469 340 2HD LYS 52 2HD LYS 52 -3.035 -8.846 12.719 341 2HE LYS 52 2HE LYS 52 -5.075 -10.198 13.417 342 1HZ LYS 52 1HZ LYS 52 -4.944 -11.587 15.120 343 2HZ LYS 52 2HZ LYS 52 -4.214 -10.425 16.109 344 3HZ LYS 52 3HZ LYS 52 -3.263 -11.402 15.108 345 H GLU 53 H GLU 53 -4.332 -8.327 9.859 346 HA GLU 53 HA GLU 53 -5.126 -8.779 7.059 347 2HB GLU 53 2HB GLU 53 -6.156 -6.676 7.022 348 2HG GLU 53 2HG GLU 53 -7.256 -8.347 8.621 349 H LEU 54 H LEU 54 -2.980 -9.235 6.395 350 HA LEU 54 HA LEU 54 -1.250 -6.854 6.286 351 2HB LEU 54 2HB LEU 54 0.068 -8.180 7.574 352 HG LEU 54 HG LEU 54 -1.445 -10.133 7.737 353 1HD1 LEU 54 1HD1 LEU 54 -2.014 -11.121 5.824 354 2HD1 LEU 54 2HD1 LEU 54 -0.441 -11.915 5.893 355 3HD1 LEU 54 3HD1 LEU 54 -0.640 -10.431 4.961 356 1HD2 LEU 54 1HD2 LEU 54 0.488 -10.562 8.880 357 2HD2 LEU 54 2HD2 LEU 54 1.506 -10.375 7.453 358 3HD2 LEU 54 3HD2 LEU 54 0.559 -11.847 7.673 359 H VAL 55 H VAL 55 -0.037 -6.548 4.373 360 HA VAL 55 HA VAL 55 -0.717 -8.249 2.089 361 HB VAL 55 HB VAL 55 -0.856 -5.923 0.810 362 1HG1 VAL 55 1HG1 VAL 55 -2.650 -7.262 0.418 363 2HG1 VAL 55 2HG1 VAL 55 -2.910 -7.605 2.130 364 3HG1 VAL 55 3HG1 VAL 55 -3.435 -6.065 1.447 365 1HG2 VAL 55 1HG2 VAL 55 -0.512 -4.704 2.999 366 2HG2 VAL 55 2HG2 VAL 55 -1.896 -4.187 2.035 367 3HG2 VAL 55 3HG2 VAL 55 -2.138 -5.224 3.441 368 H LEU 56 H LEU 56 1.073 -8.781 1.037 369 HA LEU 56 HA LEU 56 3.558 -7.436 1.577 370 2HB LEU 56 2HB LEU 56 2.812 -9.758 -0.185 371 HG LEU 56 HG LEU 56 5.447 -8.407 0.040 372 1HD1 LEU 56 1HD1 LEU 56 5.125 -11.059 0.926 373 2HD1 LEU 56 2HD1 LEU 56 6.627 -10.197 0.596 374 3HD1 LEU 56 3HD1 LEU 56 5.854 -11.142 -0.677 375 1HD2 LEU 56 1HD2 LEU 56 5.450 -8.615 -2.196 376 2HD2 LEU 56 2HD2 LEU 56 3.720 -8.893 -1.997 377 3HD2 LEU 56 3HD2 LEU 56 4.822 -10.262 -2.147 378 H ALA 57 H ALA 57 4.969 -6.571 -0.058 379 HA ALA 57 HA ALA 57 3.475 -5.139 -2.126 380 1HB ALA 57 1HB ALA 57 4.855 -3.423 -1.774 381 2HB ALA 57 2HB ALA 57 5.397 -4.301 -0.343 382 3HB ALA 57 3HB ALA 57 6.287 -4.448 -1.858 383 H LEU 58 H LEU 58 3.384 -6.108 -4.043 384 HA LEU 58 HA LEU 58 5.368 -8.008 -4.892 385 2HB LEU 58 2HB LEU 58 3.959 -8.498 -6.664 386 HG LEU 58 HG LEU 58 2.053 -7.377 -4.612 387 1HD1 LEU 58 1HD1 LEU 58 0.900 -7.613 -6.702 388 2HD1 LEU 58 2HD1 LEU 58 0.434 -8.948 -5.647 389 3HD1 LEU 58 3HD1 LEU 58 1.589 -9.219 -6.952 390 1HD2 LEU 58 1HD2 LEU 58 2.780 -10.256 -5.030 391 2HD2 LEU 58 2HD2 LEU 58 2.023 -9.493 -3.631 392 3HD2 LEU 58 3HD2 LEU 58 3.731 -9.213 -3.973 393 H TYR 59 H TYR 59 4.559 -4.670 -5.596 394 HA TYR 59 HA TYR 59 6.972 -4.509 -7.278 395 2HB TYR 59 2HB TYR 59 5.919 -3.055 -8.796 396 HD1 TYR 59 HD1 TYR 59 5.980 -6.026 -8.682 397 HD2 TYR 59 HD2 TYR 59 2.700 -3.327 -8.938 398 HE1 TYR 59 HE1 TYR 59 4.638 -7.770 -9.784 399 HE2 TYR 59 HE2 TYR 59 1.350 -5.063 -10.039 400 HH TYR 59 HH TYR 59 1.905 -7.194 -11.470 401 H ASP 60 H ASP 60 7.696 -2.139 -7.492 402 HA ASP 60 HA ASP 60 7.952 -1.089 -4.793 403 2HB ASP 60 2HB ASP 60 9.350 -0.514 -7.398 404 H TYR 61 H TYR 61 7.007 0.709 -4.047 405 HA TYR 61 HA TYR 61 5.889 2.656 -5.906 406 2HB TYR 61 2HB TYR 61 4.214 1.261 -3.806 407 HD1 TYR 61 HD1 TYR 61 4.062 3.811 -3.008 408 HD2 TYR 61 HD2 TYR 61 2.395 2.264 -6.604 409 HE1 TYR 61 HE1 TYR 61 2.471 5.685 -3.069 410 HE2 TYR 61 HE2 TYR 61 0.800 4.134 -6.676 411 HH TYR 61 HH TYR 61 0.056 6.014 -4.159 412 H GLN 62 H GLN 62 5.526 4.702 -4.991 413 HA GLN 62 HA GLN 62 6.412 5.061 -2.215 414 2HB GLN 62 2HB GLN 62 7.304 7.308 -3.681 415 2HG GLN 62 2HG GLN 62 9.605 6.188 -3.184 416 1HE2 GLN 62 1HE2 GLN 62 6.704 7.355 -1.759 417 2HE2 GLN 62 2HE2 GLN 62 7.435 8.274 -0.492 418 H GLU 63 H GLU 63 5.277 6.527 -1.063 419 HA GLU 63 HA GLU 63 3.405 8.272 -2.511 420 2HB GLU 63 2HB GLU 63 2.419 7.330 0.078 421 2HG GLU 63 2HG GLU 63 0.353 7.047 -1.058 422 H SER 64 H SER 64 2.840 10.214 -1.452 423 HA SER 64 HA SER 64 4.587 10.926 0.813 424 2HB SER 64 2HB SER 64 3.781 13.134 -0.965 425 HG SER 64 HG SER 64 6.418 12.792 -0.616 426 H GLY 65 H GLY 65 3.308 11.101 2.538 427 1HA GLY 65 2HA GLY 65 1.596 11.780 3.907 428 2HA GLY 65 1HA GLY 65 1.398 13.131 2.800 429 H ASP 66 H ASP 66 -0.203 10.660 4.191 430 HA ASP 66 HA ASP 66 -1.639 9.216 2.456 431 2HB ASP 66 2HB ASP 66 -2.125 9.183 4.832 432 H ASN 67 H ASN 67 -2.156 9.869 0.448 433 HA ASN 67 HA ASN 67 -3.906 12.227 0.208 434 2HB ASN 67 2HB ASN 67 -2.932 12.521 -2.094 435 1HD2 ASN 67 1HD2 ASN 67 -3.108 13.952 0.215 436 2HD2 ASN 67 2HD2 ASN 67 -1.599 14.726 0.544 437 H ALA 68 H ALA 68 -5.624 12.091 -1.231 438 HA ALA 68 HA ALA 68 -6.731 9.505 -1.606 439 1HB ALA 68 1HB ALA 68 -7.547 12.254 -2.480 440 2HB ALA 68 2HB ALA 68 -8.439 10.823 -2.995 441 3HB ALA 68 3HB ALA 68 -8.297 11.202 -1.279 442 HA PRO 69 HA PRO 69 -4.966 8.370 -5.480 443 2HB PRO 69 2HB PRO 69 -5.644 6.231 -4.987 444 2HG PRO 69 2HG PRO 69 -7.618 5.838 -3.822 445 2HD PRO 69 2HD PRO 69 -6.652 7.414 -2.445 446 H SER 70 H SER 70 -8.522 8.687 -5.616 447 HA SER 70 HA SER 70 -9.891 9.822 -7.042 448 2HB SER 70 2HB SER 70 -7.539 11.211 -8.289 449 HG SER 70 HG SER 70 -9.126 12.968 -8.045 450 H TYR 71 H TYR 71 -6.893 9.490 -8.944 451 HA TYR 71 HA TYR 71 -8.423 8.351 -11.138 452 2HB TYR 71 2HB TYR 71 -6.845 9.962 -11.849 453 HD1 TYR 71 HD1 TYR 71 -5.269 11.480 -11.143 454 HD2 TYR 71 HD2 TYR 71 -4.775 7.388 -10.086 455 HE1 TYR 71 HE1 TYR 71 -3.224 12.053 -9.905 456 HE2 TYR 71 HE2 TYR 71 -2.729 7.950 -8.844 457 HH TYR 71 HH TYR 71 -1.742 9.957 -7.731 458 H SER 72 H SER 72 -7.268 6.497 -12.348 459 HA SER 72 HA SER 72 -7.285 4.232 -10.658 460 2HB SER 72 2HB SER 72 -7.544 4.642 -13.362 461 HG SER 72 HG SER 72 -5.819 3.140 -14.128 462 HA PRO 73 HA PRO 73 -3.121 3.745 -9.370 463 2HB PRO 73 2HB PRO 73 -3.752 1.769 -8.381 464 2HG PRO 73 2HG PRO 73 -5.275 0.345 -9.411 465 2HD PRO 73 2HD PRO 73 -6.430 2.335 -9.558 466 HA PRO 74 HA PRO 74 -0.390 3.841 -12.824 467 2HB PRO 74 2HB PRO 74 1.147 4.801 -11.410 468 2HG PRO 74 2HG PRO 74 1.298 4.152 -9.183 469 2HD PRO 74 2HD PRO 74 -0.972 4.523 -9.335 470 HA PRO 75 HA PRO 75 0.138 -0.243 -14.385 471 2HB PRO 75 2HB PRO 75 0.487 0.730 -16.437 472 2HG PRO 75 2HG PRO 75 1.629 2.747 -16.630 473 2HD PRO 75 2HD PRO 75 0.107 3.307 -14.991 474 HA PRO 76 HA PRO 76 3.394 -1.834 -11.772 475 2HB PRO 76 2HB PRO 76 1.893 -3.459 -11.150 476 2HG PRO 76 2HG PRO 76 0.241 -4.189 -12.615 477 2HD PRO 76 2HD PRO 76 -0.063 -1.910 -12.777 478 HA PRO 77 HA PRO 77 6.741 -2.915 -14.410 479 2HB PRO 77 2HB PRO 77 8.032 -3.203 -12.531 480 2HG PRO 77 2HG PRO 77 7.158 -4.190 -10.616 481 2HD PRO 77 2HD PRO 77 5.524 -2.619 -11.033
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