NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15063 | 1xfq | 6322 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LEU 26 H LEU 26 6.312 -0.665 -14.423 2 HA LEU 26 HA LEU 26 7.454 -1.172 -12.383 3 1HB LEU 26 1HB LEU 26 4.861 -0.248 -11.145 4 2HB LEU 26 2HB LEU 26 6.045 -1.207 -10.283 5 HG LEU 26 HG LEU 26 6.533 1.553 -11.408 6 1HD1 LEU 26 1HD1 LEU 26 6.127 0.630 -8.565 7 2HD1 LEU 26 2HD1 LEU 26 4.985 1.576 -9.520 8 3HD1 LEU 26 3HD1 LEU 26 6.546 2.267 -9.075 9 1HD2 LEU 26 1HD2 LEU 26 8.616 1.455 -10.132 10 2HD2 LEU 26 2HD2 LEU 26 8.557 0.191 -11.361 11 3HD2 LEU 26 3HD2 LEU 26 8.257 -0.209 -9.670 12 H ALA 27 H ALA 27 7.593 -3.251 -12.896 13 HA ALA 27 HA ALA 27 5.192 -4.911 -13.034 14 1HB ALA 27 1HB ALA 27 6.716 -6.700 -13.716 15 2HB ALA 27 2HB ALA 27 8.099 -5.651 -13.402 16 3HB ALA 27 3HB ALA 27 6.969 -5.257 -14.698 17 H PHE 28 H PHE 28 6.949 -3.618 -10.706 18 HA PHE 28 HA PHE 28 6.084 -5.523 -8.724 19 1HB PHE 28 1HB PHE 28 8.301 -6.410 -9.239 20 2HB PHE 28 2HB PHE 28 9.015 -4.813 -9.071 21 HD1 PHE 28 HD1 PHE 28 9.818 -4.084 -7.013 22 HD2 PHE 28 HD2 PHE 28 7.237 -7.462 -7.178 23 HE1 PHE 28 HE1 PHE 28 10.246 -4.522 -4.630 24 HE2 PHE 28 HE2 PHE 28 7.659 -7.907 -4.795 25 HZ PHE 28 HZ PHE 28 9.163 -6.433 -3.518 26 H GLY 29 H GLY 29 5.632 -4.461 -6.797 27 1HA GLY 29 1HA GLY 29 6.006 -2.667 -5.240 28 2HA GLY 29 2HA GLY 29 6.522 -1.658 -6.582 29 H ALA 30 H ALA 30 4.042 -2.964 -7.994 30 HA ALA 30 HA ALA 30 2.317 -0.740 -7.212 31 1HB ALA 30 1HB ALA 30 2.879 -0.938 -9.566 32 2HB ALA 30 2HB ALA 30 1.149 -1.176 -9.318 33 3HB ALA 30 3HB ALA 30 2.199 -2.563 -9.607 34 H ILE 31 H ILE 31 1.075 -1.313 -5.504 35 HA ILE 31 HA ILE 31 -0.605 -3.695 -5.891 36 HB ILE 31 HB ILE 31 0.750 -4.094 -4.271 37 1HG1 ILE 31 1HG1 ILE 31 -1.770 -4.461 -4.020 38 2HG1 ILE 31 2HG1 ILE 31 -0.668 -4.862 -2.723 39 1HG2 ILE 31 1HG2 ILE 31 1.561 -1.892 -3.709 40 2HG2 ILE 31 2HG2 ILE 31 1.005 -2.725 -2.258 41 3HG2 ILE 31 3HG2 ILE 31 -0.002 -1.483 -3.001 42 1HD1 ILE 31 1HD1 ILE 31 -1.234 -2.760 -1.597 43 2HD1 ILE 31 2HD1 ILE 31 -2.657 -3.768 -1.858 44 3HD1 ILE 31 3HD1 ILE 31 -2.362 -2.372 -2.895 45 H GLN 32 H GLN 32 -2.747 -3.529 -5.568 46 HA GLN 32 HA GLN 32 -3.749 -0.800 -5.111 47 1HB GLN 32 1HB GLN 32 -5.144 -0.955 -6.871 48 2HB GLN 32 2HB GLN 32 -4.073 -2.235 -7.400 49 1HG GLN 32 1HG GLN 32 -6.076 -3.253 -7.674 50 2HG GLN 32 2HG GLN 32 -5.733 -3.742 -6.012 51 1HE2 GLN 32 1HE2 GLN 32 -7.684 -1.746 -8.086 52 2HE2 GLN 32 2HE2 GLN 32 -8.844 -1.288 -6.886 53 H LEU 33 H LEU 33 -5.037 -0.492 -3.441 54 HA LEU 33 HA LEU 33 -6.330 -2.854 -2.250 55 1HB LEU 33 1HB LEU 33 -5.832 -1.993 -0.007 56 2HB LEU 33 2HB LEU 33 -4.396 -2.433 -0.901 57 HG LEU 33 HG LEU 33 -4.252 0.112 -1.453 58 1HD1 LEU 33 1HD1 LEU 33 -5.135 1.556 0.291 59 2HD1 LEU 33 2HD1 LEU 33 -5.928 0.178 1.052 60 3HD1 LEU 33 3HD1 LEU 33 -6.441 0.717 -0.546 61 1HD2 LEU 33 1HD2 LEU 33 -3.663 -0.962 1.300 62 2HD2 LEU 33 2HD2 LEU 33 -2.941 0.476 0.578 63 3HD2 LEU 33 3HD2 LEU 33 -2.630 -1.114 -0.121 64 H ASP 34 H ASP 34 -8.136 -2.379 -0.904 65 HA ASP 34 HA ASP 34 -9.748 -0.290 -2.109 66 1HB ASP 34 1HB ASP 34 -11.400 -1.758 -1.777 67 2HB ASP 34 2HB ASP 34 -10.224 -2.868 -1.088 68 H GLY 35 H GLY 35 -10.929 1.252 -0.912 69 1HA GLY 35 1HA GLY 35 -9.244 2.488 1.077 70 2HA GLY 35 2HA GLY 35 -10.687 3.177 0.353 71 H ASP 36 H ASP 36 -10.596 0.043 1.852 72 HA ASP 36 HA ASP 36 -12.090 1.113 4.150 73 1HB ASP 36 1HB ASP 36 -13.524 -0.051 2.460 74 2HB ASP 36 2HB ASP 36 -12.603 -1.519 2.763 75 H GLY 37 H GLY 37 -9.832 -1.277 2.875 76 1HA GLY 37 1HA GLY 37 -7.896 -1.196 4.607 77 2HA GLY 37 2HA GLY 37 -9.093 -1.938 5.649 78 H ASN 38 H ASN 38 -9.403 -3.008 2.417 79 HA ASN 38 HA ASN 38 -7.781 -5.361 3.123 80 1HB ASN 38 1HB ASN 38 -9.395 -6.708 1.707 81 2HB ASN 38 2HB ASN 38 -10.001 -6.136 3.254 82 1HD2 ASN 38 1HD2 ASN 38 -11.600 -4.601 3.305 83 2HD2 ASN 38 2HD2 ASN 38 -12.528 -4.161 1.913 84 H ILE 39 H ILE 39 -6.445 -6.258 1.655 85 HA ILE 39 HA ILE 39 -5.693 -4.657 -0.602 86 HB ILE 39 HB ILE 39 -4.991 -7.338 0.144 87 1HG1 ILE 39 1HG1 ILE 39 -4.559 -5.838 1.978 88 2HG1 ILE 39 2HG1 ILE 39 -3.051 -6.302 1.204 89 1HG2 ILE 39 1HG2 ILE 39 -3.650 -5.290 -1.628 90 2HG2 ILE 39 2HG2 ILE 39 -4.416 -6.785 -2.165 91 3HG2 ILE 39 3HG2 ILE 39 -2.965 -6.850 -1.165 92 1HD1 ILE 39 1HD1 ILE 39 -3.075 -3.942 1.815 93 2HD1 ILE 39 2HD1 ILE 39 -4.491 -3.692 0.792 94 3HD1 ILE 39 3HD1 ILE 39 -2.953 -4.160 0.069 95 H LEU 40 H LEU 40 -6.081 -5.070 -2.766 96 HA LEU 40 HA LEU 40 -8.055 -7.187 -3.273 97 1HB LEU 40 1HB LEU 40 -8.795 -4.883 -3.735 98 2HB LEU 40 2HB LEU 40 -7.486 -4.700 -4.886 99 HG LEU 40 HG LEU 40 -8.476 -6.488 -6.277 100 1HD1 LEU 40 1HD1 LEU 40 -10.773 -7.228 -5.789 101 2HD1 LEU 40 2HD1 LEU 40 -10.692 -6.396 -4.235 102 3HD1 LEU 40 3HD1 LEU 40 -9.619 -7.757 -4.565 103 1HD2 LEU 40 1HD2 LEU 40 -9.015 -4.153 -6.729 104 2HD2 LEU 40 2HD2 LEU 40 -10.364 -4.237 -5.595 105 3HD2 LEU 40 3HD2 LEU 40 -10.394 -5.198 -7.072 106 H GLN 41 H GLN 41 -5.240 -5.594 -4.817 107 HA GLN 41 HA GLN 41 -4.438 -8.161 -5.910 108 1HB GLN 41 1HB GLN 41 -6.106 -7.408 -7.541 109 2HB GLN 41 2HB GLN 41 -5.235 -5.895 -7.745 110 1HG GLN 41 1HG GLN 41 -4.767 -7.340 -9.598 111 2HG GLN 41 2HG GLN 41 -3.310 -7.153 -8.630 112 1HE2 GLN 41 1HE2 GLN 41 -4.025 -9.232 -10.522 113 2HE2 GLN 41 2HE2 GLN 41 -3.947 -10.728 -9.654 114 H TYR 42 H TYR 42 -2.318 -8.275 -6.512 115 HA TYR 42 HA TYR 42 -0.711 -5.822 -6.209 116 1HB TYR 42 1HB TYR 42 -0.375 -7.576 -4.419 117 2HB TYR 42 2HB TYR 42 0.228 -8.651 -5.674 118 HD1 TYR 42 HD1 TYR 42 2.397 -8.282 -6.692 119 HD2 TYR 42 HD2 TYR 42 0.946 -5.666 -3.672 120 HE1 TYR 42 HE1 TYR 42 4.658 -7.362 -6.412 121 HE2 TYR 42 HE2 TYR 42 3.206 -4.742 -3.384 122 HH TYR 42 HH TYR 42 5.715 -5.291 -5.578 123 H ASN 43 H ASN 43 0.372 -5.216 -7.970 124 HA ASN 43 HA ASN 43 0.219 -6.887 -10.336 125 1HB ASN 43 1HB ASN 43 1.243 -4.063 -9.961 126 2HB ASN 43 2HB ASN 43 1.115 -4.890 -11.511 127 1HD2 ASN 43 1HD2 ASN 43 -0.630 -3.433 -8.885 128 2HD2 ASN 43 2HD2 ASN 43 -2.149 -3.310 -9.701 129 H ALA 44 H ALA 44 1.645 -8.473 -10.186 130 HA ALA 44 HA ALA 44 4.296 -8.177 -10.905 131 1HB ALA 44 1HB ALA 44 4.679 -7.210 -8.682 132 2HB ALA 44 2HB ALA 44 5.524 -8.747 -8.871 133 3HB ALA 44 3HB ALA 44 4.029 -8.671 -7.937 134 H ALA 45 H ALA 45 1.874 -9.988 -9.181 135 HA ALA 45 HA ALA 45 3.133 -12.537 -9.607 136 1HB ALA 45 1HB ALA 45 1.714 -12.164 -7.656 137 2HB ALA 45 2HB ALA 45 1.087 -13.474 -8.657 138 3HB ALA 45 3HB ALA 45 0.329 -11.882 -8.710 139 H GLU 46 H GLU 46 3.439 -12.634 -11.806 140 HA GLU 46 HA GLU 46 1.124 -13.622 -13.261 141 1HB GLU 46 1HB GLU 46 1.965 -12.309 -15.315 142 2HB GLU 46 2HB GLU 46 1.033 -11.438 -14.108 143 1HG GLU 46 1HG GLU 46 3.146 -10.589 -13.147 144 2HG GLU 46 2HG GLU 46 4.024 -11.399 -14.444 145 H GLY 47 H GLY 47 3.099 -14.973 -12.029 146 1HA GLY 47 1HA GLY 47 4.131 -16.742 -13.856 147 2HA GLY 47 2HA GLY 47 5.373 -15.507 -13.667 148 H ASP 48 H ASP 48 3.748 -18.173 -12.214 149 HA ASP 48 HA ASP 48 4.797 -17.698 -9.570 150 1HB ASP 48 1HB ASP 48 3.285 -20.016 -10.778 151 2HB ASP 48 2HB ASP 48 3.858 -20.009 -9.113 152 H ILE 49 H ILE 49 6.982 -17.604 -9.868 153 HA ILE 49 HA ILE 49 8.293 -20.095 -10.721 154 HB ILE 49 HB ILE 49 10.172 -18.784 -11.048 155 1HG1 ILE 49 1HG1 ILE 49 8.242 -16.485 -10.714 156 2HG1 ILE 49 2HG1 ILE 49 9.542 -16.888 -9.595 157 1HG2 ILE 49 1HG2 ILE 49 9.330 -17.886 -13.169 158 2HG2 ILE 49 2HG2 ILE 49 7.677 -18.114 -12.597 159 3HG2 ILE 49 3HG2 ILE 49 8.722 -19.513 -12.854 160 1HD1 ILE 49 1HD1 ILE 49 9.869 -16.055 -12.466 161 2HD1 ILE 49 2HD1 ILE 49 11.178 -16.462 -11.357 162 3HD1 ILE 49 3HD1 ILE 49 10.165 -15.052 -11.046 163 H THR 50 H THR 50 7.302 -19.258 -8.029 164 HA THR 50 HA THR 50 9.806 -19.795 -6.598 165 HB THR 50 HB THR 50 7.751 -18.105 -5.534 166 HG1 THR 50 HG1 THR 50 9.663 -17.586 -7.499 167 1HG2 THR 50 1HG2 THR 50 9.645 -17.308 -4.206 168 2HG2 THR 50 2HG2 THR 50 10.696 -18.471 -5.017 169 3HG2 THR 50 3HG2 THR 50 9.378 -19.039 -3.991 170 H GLY 51 H GLY 51 9.473 -20.878 -4.534 171 1HA GLY 51 1HA GLY 51 6.829 -22.191 -4.350 172 2HA GLY 51 2HA GLY 51 8.343 -22.918 -3.821 173 H ARG 52 H ARG 52 6.983 -19.697 -3.289 174 HA ARG 52 HA ARG 52 7.666 -19.849 -0.479 175 1HB ARG 52 1HB ARG 52 6.572 -17.698 -2.269 176 2HB ARG 52 2HB ARG 52 6.552 -17.506 -0.522 177 1HG ARG 52 1HG ARG 52 8.986 -17.767 -0.478 178 2HG ARG 52 2HG ARG 52 8.989 -17.925 -2.237 179 1HD ARG 52 1HD ARG 52 8.179 -15.703 -2.514 180 2HD ARG 52 2HD ARG 52 7.863 -15.538 -0.789 181 HE ARG 52 HE ARG 52 10.597 -16.079 -1.195 182 1HH1 ARG 52 1HH1 ARG 52 8.268 -13.531 -1.787 183 2HH1 ARG 52 2HH1 ARG 52 9.407 -12.244 -1.526 184 1HH2 ARG 52 1HH2 ARG 52 12.110 -14.401 -0.870 185 2HH2 ARG 52 2HH2 ARG 52 11.607 -12.743 -1.029 186 H ASP 53 H ASP 53 6.011 -18.986 1.105 187 HA ASP 53 HA ASP 53 3.432 -20.271 0.703 188 1HB ASP 53 1HB ASP 53 4.511 -20.449 2.909 189 2HB ASP 53 2HB ASP 53 4.510 -18.695 3.058 190 HA PRO 54 HA PRO 54 2.178 -16.443 -1.178 191 1HB PRO 54 1HB PRO 54 -0.359 -17.771 -1.717 192 2HB PRO 54 2HB PRO 54 0.903 -17.276 -2.848 193 1HG PRO 54 1HG PRO 54 0.366 -19.872 -2.299 194 2HG PRO 54 2HG PRO 54 1.991 -19.297 -2.717 195 1HD PRO 54 1HD PRO 54 0.836 -19.905 -0.016 196 2HD PRO 54 2HD PRO 54 2.434 -20.320 -0.674 197 H LYS 55 H LYS 55 1.421 -17.219 1.776 198 HA LYS 55 HA LYS 55 -1.013 -15.595 1.982 199 1HB LYS 55 1HB LYS 55 0.460 -17.128 4.135 200 2HB LYS 55 2HB LYS 55 -1.107 -16.351 4.304 201 1HG LYS 55 1HG LYS 55 -2.087 -17.900 2.727 202 2HG LYS 55 2HG LYS 55 -0.510 -18.644 2.447 203 1HD LYS 55 1HD LYS 55 -0.430 -19.273 4.842 204 2HD LYS 55 2HD LYS 55 -2.056 -18.614 5.039 205 1HE LYS 55 1HE LYS 55 -2.925 -20.225 3.452 206 2HE LYS 55 2HE LYS 55 -1.303 -20.848 3.159 207 1HZ LYS 55 1HZ LYS 55 -2.753 -20.947 5.752 208 2HZ LYS 55 2HZ LYS 55 -1.194 -21.555 5.469 209 3HZ LYS 55 3HZ LYS 55 -2.531 -22.252 4.691 210 H GLN 56 H GLN 56 1.478 -14.455 1.203 211 HA GLN 56 HA GLN 56 2.382 -12.962 3.549 212 1HB GLN 56 1HB GLN 56 4.082 -13.978 2.075 213 2HB GLN 56 2HB GLN 56 3.479 -13.018 0.733 214 1HG GLN 56 1HG GLN 56 5.512 -12.073 1.681 215 2HG GLN 56 2HG GLN 56 4.142 -10.978 1.855 216 1HE2 GLN 56 1HE2 GLN 56 5.165 -9.887 3.533 217 2HE2 GLN 56 2HE2 GLN 56 5.295 -10.561 5.122 218 H VAL 57 H VAL 57 1.148 -12.404 0.268 219 HA VAL 57 HA VAL 57 0.299 -9.729 1.143 220 HB VAL 57 HB VAL 57 0.501 -9.056 -1.069 221 1HG1 VAL 57 1HG1 VAL 57 2.983 -9.977 0.370 222 2HG1 VAL 57 2HG1 VAL 57 2.125 -8.460 0.635 223 3HG1 VAL 57 3HG1 VAL 57 2.936 -8.757 -0.902 224 1HG2 VAL 57 1HG2 VAL 57 0.522 -11.251 -2.153 225 2HG2 VAL 57 2HG2 VAL 57 2.082 -11.589 -1.402 226 3HG2 VAL 57 3HG2 VAL 57 1.932 -10.280 -2.575 227 H ILE 58 H ILE 58 -1.375 -8.821 -0.383 228 HA ILE 58 HA ILE 58 -3.533 -8.785 -0.985 229 HB ILE 58 HB ILE 58 -4.183 -9.947 -2.705 230 1HG1 ILE 58 1HG1 ILE 58 -1.805 -11.762 -2.320 231 2HG1 ILE 58 2HG1 ILE 58 -3.490 -12.214 -2.087 232 1HG2 ILE 58 1HG2 ILE 58 -2.602 -8.159 -3.040 233 2HG2 ILE 58 2HG2 ILE 58 -2.331 -9.438 -4.222 234 3HG2 ILE 58 3HG2 ILE 58 -1.254 -9.275 -2.834 235 1HD1 ILE 58 1HD1 ILE 58 -2.631 -13.007 -4.218 236 2HD1 ILE 58 2HD1 ILE 58 -2.246 -11.350 -4.689 237 3HD1 ILE 58 3HD1 ILE 58 -3.925 -11.833 -4.447 238 H GLY 59 H GLY 59 -5.599 -9.916 -1.293 239 1HA GLY 59 1HA GLY 59 -7.342 -11.030 -0.281 240 2HA GLY 59 2HA GLY 59 -6.203 -12.347 -0.020 241 H LYS 60 H LYS 60 -6.145 -9.043 1.205 242 HA LYS 60 HA LYS 60 -5.715 -10.151 3.876 243 1HB LYS 60 1HB LYS 60 -3.818 -8.924 3.097 244 2HB LYS 60 2HB LYS 60 -4.833 -7.593 2.552 245 1HG LYS 60 1HG LYS 60 -3.519 -7.165 4.644 246 2HG LYS 60 2HG LYS 60 -5.254 -6.888 4.777 247 1HD LYS 60 1HD LYS 60 -4.402 -8.030 6.751 248 2HD LYS 60 2HD LYS 60 -5.514 -9.069 5.860 249 1HE LYS 60 1HE LYS 60 -3.569 -10.193 4.828 250 2HE LYS 60 2HE LYS 60 -2.502 -9.198 5.822 251 1HZ LYS 60 1HZ LYS 60 -3.380 -10.183 7.792 252 2HZ LYS 60 2HZ LYS 60 -2.951 -11.444 6.740 253 3HZ LYS 60 3HZ LYS 60 -4.578 -11.010 6.924 254 H ASN 61 H ASN 61 -7.698 -10.253 4.755 255 HA ASN 61 HA ASN 61 -9.341 -7.830 4.872 256 1HB ASN 61 1HB ASN 61 -9.717 -10.632 5.890 257 2HB ASN 61 2HB ASN 61 -10.830 -9.332 6.285 258 1HD2 ASN 61 1HD2 ASN 61 -9.299 -9.551 3.160 259 2HD2 ASN 61 2HD2 ASN 61 -10.712 -10.026 2.280 260 H PHE 62 H PHE 62 -8.665 -6.378 6.350 261 HA PHE 62 HA PHE 62 -7.114 -7.346 8.604 262 1HB PHE 62 1HB PHE 62 -6.335 -5.449 7.205 263 2HB PHE 62 2HB PHE 62 -7.682 -4.492 7.812 264 HD1 PHE 62 HD1 PHE 62 -7.405 -3.214 9.719 265 HD2 PHE 62 HD2 PHE 62 -4.757 -6.468 9.006 266 HE1 PHE 62 HE1 PHE 62 -6.059 -2.535 11.662 267 HE2 PHE 62 HE2 PHE 62 -3.408 -5.801 10.954 268 HZ PHE 62 HZ PHE 62 -4.048 -3.846 12.281 269 H PHE 63 H PHE 63 -8.481 -8.212 10.011 270 HA PHE 63 HA PHE 63 -10.885 -6.914 10.880 271 1HB PHE 63 1HB PHE 63 -10.768 -8.790 12.658 272 2HB PHE 63 2HB PHE 63 -11.002 -9.258 10.978 273 HD1 PHE 63 HD1 PHE 63 -8.694 -9.260 13.808 274 HD2 PHE 63 HD2 PHE 63 -9.233 -10.383 9.736 275 HE1 PHE 63 HE1 PHE 63 -6.724 -10.729 13.955 276 HE2 PHE 63 HE2 PHE 63 -7.270 -11.857 9.883 277 HZ PHE 63 HZ PHE 63 -6.003 -12.020 11.950 278 H LYS 64 H LYS 64 -11.261 -6.194 13.077 279 HA LYS 64 HA LYS 64 -9.083 -4.598 14.023 280 1HB LYS 64 1HB LYS 64 -10.728 -3.882 15.801 281 2HB LYS 64 2HB LYS 64 -11.196 -3.555 14.140 282 1HG LYS 64 1HG LYS 64 -12.707 -5.444 14.157 283 2HG LYS 64 2HG LYS 64 -12.185 -5.876 15.787 284 1HD LYS 64 1HD LYS 64 -13.475 -3.247 15.053 285 2HD LYS 64 2HD LYS 64 -14.350 -4.636 15.702 286 1HE LYS 64 1HE LYS 64 -13.032 -4.559 17.733 287 2HE LYS 64 2HE LYS 64 -12.055 -3.245 17.079 288 1HZ LYS 64 1HZ LYS 64 -14.979 -3.075 17.567 289 2HZ LYS 64 2HZ LYS 64 -13.949 -1.806 17.109 290 3HZ LYS 64 3HZ LYS 64 -13.797 -2.510 18.642 291 H ASP 65 H ASP 65 -7.690 -6.435 14.417 292 HA ASP 65 HA ASP 65 -8.201 -8.028 16.786 293 1HB ASP 65 1HB ASP 65 -7.040 -8.945 14.773 294 2HB ASP 65 2HB ASP 65 -5.703 -7.845 15.081 295 H VAL 66 H VAL 66 -7.497 -4.952 16.434 296 HA VAL 66 HA VAL 66 -6.478 -3.300 17.595 297 HB VAL 66 HB VAL 66 -6.100 -5.279 19.646 298 1HG1 VAL 66 1HG1 VAL 66 -6.413 -2.277 19.628 299 2HG1 VAL 66 2HG1 VAL 66 -4.926 -3.164 19.962 300 3HG1 VAL 66 3HG1 VAL 66 -6.293 -3.286 21.070 301 1HG2 VAL 66 1HG2 VAL 66 -8.516 -3.605 19.012 302 2HG2 VAL 66 2HG2 VAL 66 -8.287 -4.583 20.461 303 3HG2 VAL 66 3HG2 VAL 66 -8.404 -5.360 18.880 304 H ALA 67 H ALA 67 -4.829 -3.794 15.919 305 HA ALA 67 HA ALA 67 -2.246 -4.141 17.237 306 1HB ALA 67 1HB ALA 67 -3.008 -5.501 14.651 307 2HB ALA 67 2HB ALA 67 -2.724 -6.294 16.200 308 3HB ALA 67 3HB ALA 67 -1.397 -5.484 15.369 309 HA PRO 68 HA PRO 68 -2.205 -0.480 14.496 310 1HB PRO 68 1HB PRO 68 -1.480 1.352 16.298 311 2HB PRO 68 2HB PRO 68 -3.144 0.765 16.210 312 1HG PRO 68 1HG PRO 68 -0.992 0.080 18.154 313 2HG PRO 68 2HG PRO 68 -2.734 0.260 18.423 314 1HD PRO 68 1HD PRO 68 -1.361 -2.160 18.079 315 2HD PRO 68 2HD PRO 68 -3.117 -1.933 17.967 316 H CYS 69 H CYS 69 0.064 -2.365 15.968 317 HA CYS 69 HA CYS 69 2.275 -0.666 15.030 318 1HB CYS 69 1HB CYS 69 2.337 -2.869 17.096 319 2HB CYS 69 2HB CYS 69 3.737 -1.962 16.537 320 H THR 70 H THR 70 1.940 -1.422 12.872 321 HA THR 70 HA THR 70 3.484 -3.901 12.493 322 HB THR 70 HB THR 70 1.628 -2.859 10.575 323 HG1 THR 70 HG1 THR 70 1.092 -3.916 13.007 324 1HG2 THR 70 1HG2 THR 70 3.302 -4.462 9.826 325 2HG2 THR 70 2HG2 THR 70 1.699 -5.195 9.854 326 3HG2 THR 70 3HG2 THR 70 2.856 -5.555 11.137 327 H ASP 71 H ASP 71 4.912 -1.822 12.858 328 HA ASP 71 HA ASP 71 6.572 -0.524 12.046 329 1HB ASP 71 1HB ASP 71 5.944 -2.011 9.500 330 2HB ASP 71 2HB ASP 71 7.245 -0.830 9.620 331 H SER 72 H SER 72 3.536 0.152 11.618 332 HA SER 72 HA SER 72 4.132 2.710 10.385 333 1HB SER 72 1HB SER 72 3.418 1.154 8.539 334 2HB SER 72 2HB SER 72 1.856 1.011 9.341 335 HG SER 72 HG SER 72 2.339 3.588 9.132 336 HA PRO 73 HA PRO 73 1.320 3.216 14.057 337 1HB PRO 73 1HB PRO 73 2.837 5.768 14.053 338 2HB PRO 73 2HB PRO 73 2.462 4.687 15.399 339 1HG PRO 73 1HG PRO 73 4.931 4.816 14.391 340 2HG PRO 73 2HG PRO 73 4.241 3.275 14.935 341 1HD PRO 73 1HD PRO 73 4.578 4.330 12.153 342 2HD PRO 73 2HD PRO 73 4.804 2.678 12.767 343 H GLU 74 H GLU 74 2.458 5.894 11.995 344 HA GLU 74 HA GLU 74 -0.304 6.524 11.284 345 1HB GLU 74 1HB GLU 74 2.336 7.846 10.653 346 2HB GLU 74 2HB GLU 74 0.831 8.323 9.876 347 1HG GLU 74 1HG GLU 74 -0.101 8.782 12.139 348 2HG GLU 74 2HG GLU 74 1.505 8.479 12.802 349 H PHE 75 H PHE 75 -1.208 5.620 9.575 350 HA PHE 75 HA PHE 75 0.159 3.640 8.106 351 1HB PHE 75 1HB PHE 75 -2.545 4.900 7.600 352 2HB PHE 75 2HB PHE 75 -1.946 3.441 6.818 353 HD1 PHE 75 HD1 PHE 75 -1.577 1.392 8.148 354 HD2 PHE 75 HD2 PHE 75 -3.437 4.847 9.794 355 HE1 PHE 75 HE1 PHE 75 -2.457 0.031 10.001 356 HE2 PHE 75 HE2 PHE 75 -4.319 3.494 11.651 357 HZ PHE 75 HZ PHE 75 -3.829 1.085 11.757 358 H TYR 76 H TYR 76 1.566 3.952 6.566 359 HA TYR 76 HA TYR 76 2.634 4.707 4.723 360 1HB TYR 76 1HB TYR 76 -0.224 5.142 3.840 361 2HB TYR 76 2HB TYR 76 1.167 5.192 2.759 362 HD1 TYR 76 HD1 TYR 76 2.401 3.134 2.225 363 HD2 TYR 76 HD2 TYR 76 -1.067 3.046 4.693 364 HE1 TYR 76 HE1 TYR 76 2.247 0.698 1.915 365 HE2 TYR 76 HE2 TYR 76 -1.226 0.611 4.394 366 HH TYR 76 HH TYR 76 1.299 -1.249 2.985 367 H GLY 77 H GLY 77 0.459 6.968 3.471 368 1HA GLY 77 1HA GLY 77 2.051 9.163 4.652 369 2HA GLY 77 2HA GLY 77 1.609 9.124 2.948 370 H LYS 78 H LYS 78 0.307 9.250 6.218 371 HA LYS 78 HA LYS 78 -1.620 10.044 7.096 372 1HB LYS 78 1HB LYS 78 -1.488 11.769 4.621 373 2HB LYS 78 2HB LYS 78 -2.733 11.956 5.849 374 1HG LYS 78 1HG LYS 78 -1.051 12.450 7.522 375 2HG LYS 78 2HG LYS 78 0.230 12.196 6.333 376 1HD LYS 78 1HD LYS 78 -0.566 14.074 5.025 377 2HD LYS 78 2HD LYS 78 -1.936 14.288 6.118 378 1HE LYS 78 1HE LYS 78 0.951 14.506 6.954 379 2HE LYS 78 2HE LYS 78 -0.046 15.883 6.488 380 1HZ LYS 78 1HZ LYS 78 -1.529 15.418 8.313 381 2HZ LYS 78 2HZ LYS 78 0.055 15.558 8.903 382 3HZ LYS 78 3HZ LYS 78 -0.649 14.029 8.735 383 H PHE 79 H PHE 79 -1.677 7.685 5.492 384 HA PHE 79 HA PHE 79 -3.645 7.455 3.582 385 1HB PHE 79 1HB PHE 79 -2.090 5.655 4.211 386 2HB PHE 79 2HB PHE 79 -2.939 5.451 5.736 387 HD1 PHE 79 HD1 PHE 79 -5.051 4.317 5.838 388 HD2 PHE 79 HD2 PHE 79 -3.076 4.903 2.114 389 HE1 PHE 79 HE1 PHE 79 -6.559 2.686 4.785 390 HE2 PHE 79 HE2 PHE 79 -4.580 3.270 1.055 391 HZ PHE 79 HZ PHE 79 -6.274 2.116 2.386 392 H LYS 80 H LYS 80 -4.014 7.782 7.044 393 HA LYS 80 HA LYS 80 -6.692 6.794 7.206 394 1HB LYS 80 1HB LYS 80 -4.751 7.371 9.046 395 2HB LYS 80 2HB LYS 80 -5.828 8.744 9.246 396 1HG LYS 80 1HG LYS 80 -6.646 5.851 9.436 397 2HG LYS 80 2HG LYS 80 -6.331 6.919 10.803 398 1HD LYS 80 1HD LYS 80 -8.167 8.364 10.107 399 2HD LYS 80 2HD LYS 80 -8.466 7.327 8.710 400 1HE LYS 80 1HE LYS 80 -8.939 5.454 10.233 401 2HE LYS 80 2HE LYS 80 -8.694 6.529 11.609 402 1HZ LYS 80 1HZ LYS 80 -11.039 6.266 11.080 403 2HZ LYS 80 2HZ LYS 80 -10.777 6.857 9.515 404 3HZ LYS 80 3HZ LYS 80 -10.550 7.875 10.851 405 H GLU 81 H GLU 81 -5.195 9.906 6.691 406 HA GLU 81 HA GLU 81 -7.710 11.344 6.697 407 1HB GLU 81 1HB GLU 81 -5.631 12.418 7.495 408 2HB GLU 81 2HB GLU 81 -4.917 12.215 5.903 409 1HG GLU 81 1HG GLU 81 -6.644 13.680 4.959 410 2HG GLU 81 2HG GLU 81 -7.312 13.906 6.575 411 H GLY 82 H GLY 82 -5.491 9.867 4.482 412 1HA GLY 82 1HA GLY 82 -6.116 10.989 2.069 413 2HA GLY 82 2HA GLY 82 -5.591 9.345 2.300 414 H VAL 83 H VAL 83 -7.656 8.417 3.827 415 HA VAL 83 HA VAL 83 -9.470 7.599 1.815 416 HB VAL 83 HB VAL 83 -9.640 7.501 4.680 417 1HG1 VAL 83 1HG1 VAL 83 -11.819 7.159 3.628 418 2HG1 VAL 83 2HG1 VAL 83 -11.181 5.632 4.238 419 3HG1 VAL 83 3HG1 VAL 83 -11.110 5.991 2.512 420 1HG2 VAL 83 1HG2 VAL 83 -8.605 5.531 2.657 421 2HG2 VAL 83 2HG2 VAL 83 -8.744 5.273 4.398 422 3HG2 VAL 83 3HG2 VAL 83 -7.621 6.480 3.771 423 H ALA 84 H ALA 84 -9.878 9.756 4.626 424 HA ALA 84 HA ALA 84 -12.658 10.117 3.941 425 1HB ALA 84 1HB ALA 84 -12.837 11.325 6.040 426 2HB ALA 84 2HB ALA 84 -11.083 11.306 6.216 427 3HB ALA 84 3HB ALA 84 -11.990 9.797 6.286 428 H SER 85 H SER 85 -9.679 11.896 3.723 429 HA SER 85 HA SER 85 -10.852 14.411 3.122 430 1HB SER 85 1HB SER 85 -8.423 14.010 3.712 431 2HB SER 85 2HB SER 85 -8.199 13.377 2.082 432 HG SER 85 HG SER 85 -9.439 15.855 2.247 433 H GLY 86 H GLY 86 -10.303 11.492 1.323 434 1HA GLY 86 1HA GLY 86 -11.397 10.805 -0.591 435 2HA GLY 86 2HA GLY 86 -12.141 12.393 -0.696 436 H ASN 87 H ASN 87 -8.696 11.965 -0.444 437 HA ASN 87 HA ASN 87 -8.271 12.121 -3.280 438 1HB ASN 87 1HB ASN 87 -7.038 14.281 -3.237 439 2HB ASN 87 2HB ASN 87 -8.759 14.458 -2.924 440 1HD2 ASN 87 1HD2 ASN 87 -9.448 15.096 -0.901 441 2HD2 ASN 87 2HD2 ASN 87 -8.373 15.732 0.297 442 H LEU 88 H LEU 88 -7.475 10.201 -1.661 443 HA LEU 88 HA LEU 88 -4.832 10.582 -0.685 444 1HB LEU 88 1HB LEU 88 -6.731 8.728 -0.242 445 2HB LEU 88 2HB LEU 88 -5.707 7.860 -1.375 446 HG LEU 88 HG LEU 88 -4.750 9.187 1.105 447 1HD1 LEU 88 1HD1 LEU 88 -5.383 6.280 0.614 448 2HD1 LEU 88 2HD1 LEU 88 -6.246 7.372 1.698 449 3HD1 LEU 88 3HD1 LEU 88 -4.580 6.909 2.054 450 1HD2 LEU 88 1HD2 LEU 88 -3.399 7.223 -0.735 451 2HD2 LEU 88 2HD2 LEU 88 -2.729 7.823 0.782 452 3HD2 LEU 88 3HD2 LEU 88 -3.007 8.935 -0.559 453 H ASN 89 H ASN 89 -3.943 11.554 -2.623 454 HA ASN 89 HA ASN 89 -2.667 9.450 -4.172 455 1HB ASN 89 1HB ASN 89 -3.121 10.412 -6.311 456 2HB ASN 89 2HB ASN 89 -4.666 10.298 -5.472 457 1HD2 ASN 89 1HD2 ASN 89 -2.335 12.380 -6.892 458 2HD2 ASN 89 2HD2 ASN 89 -3.200 13.863 -6.683 459 H THR 90 H THR 90 -0.657 9.730 -3.346 460 HA THR 90 HA THR 90 0.642 12.270 -3.952 461 HB THR 90 HB THR 90 0.989 11.033 -1.390 462 HG1 THR 90 HG1 THR 90 -1.031 12.765 -2.331 463 1HG2 THR 90 1HG2 THR 90 1.800 13.272 -0.849 464 2HG2 THR 90 2HG2 THR 90 1.500 13.784 -2.509 465 3HG2 THR 90 3HG2 THR 90 2.721 12.557 -2.172 466 H MET 91 H MET 91 2.823 12.080 -4.320 467 HA MET 91 HA MET 91 4.007 9.419 -3.962 468 1HB MET 91 1HB MET 91 5.800 10.307 -5.543 469 2HB MET 91 2HB MET 91 4.227 9.965 -6.245 470 1HG MET 91 1HG MET 91 5.107 12.717 -5.402 471 2HG MET 91 2HG MET 91 5.342 12.072 -7.026 472 1HE MET 91 1HE MET 91 3.789 14.807 -6.387 473 2HE MET 91 2HE MET 91 2.428 14.664 -7.502 474 3HE MET 91 3HE MET 91 4.046 14.180 -8.014 475 H PHE 92 H PHE 92 5.230 9.237 -2.256 476 HA PHE 92 HA PHE 92 6.779 11.564 -1.338 477 1HB PHE 92 1HB PHE 92 4.766 11.362 0.064 478 2HB PHE 92 2HB PHE 92 5.158 9.681 0.401 479 HD1 PHE 92 HD1 PHE 92 6.203 13.174 0.971 480 HD2 PHE 92 HD2 PHE 92 6.713 9.098 2.086 481 HE1 PHE 92 HE1 PHE 92 7.510 13.876 2.934 482 HE2 PHE 92 HE2 PHE 92 8.021 9.796 4.047 483 HZ PHE 92 HZ PHE 92 8.403 12.198 4.484 484 H GLU 93 H GLU 93 8.871 11.090 -1.066 485 HA GLU 93 HA GLU 93 9.639 8.264 -0.983 486 1HB GLU 93 1HB GLU 93 11.942 9.108 -1.439 487 2HB GLU 93 2HB GLU 93 10.786 9.530 -2.692 488 1HG GLU 93 1HG GLU 93 10.634 11.783 -1.854 489 2HG GLU 93 2HG GLU 93 11.691 11.384 -0.499 490 H TYR 94 H TYR 94 10.450 7.353 0.797 491 HA TYR 94 HA TYR 94 11.013 9.129 3.081 492 1HB TYR 94 1HB TYR 94 8.906 7.705 3.242 493 2HB TYR 94 2HB TYR 94 9.969 6.303 3.290 494 HD1 TYR 94 HD1 TYR 94 11.554 6.032 5.205 495 HD2 TYR 94 HD2 TYR 94 8.550 9.044 5.176 496 HE1 TYR 94 HE1 TYR 94 11.801 6.293 7.638 497 HE2 TYR 94 HE2 TYR 94 8.787 9.312 7.607 498 HH TYR 94 HH TYR 94 9.565 7.987 9.535 499 H THR 95 H THR 95 13.099 9.131 3.525 500 HA THR 95 HA THR 95 14.753 6.871 2.738 501 HB THR 95 HB THR 95 15.569 9.241 4.118 502 HG1 THR 95 HG1 THR 95 14.634 10.148 2.397 503 1HG2 THR 95 1HG2 THR 95 17.624 8.800 2.894 504 2HG2 THR 95 2HG2 THR 95 16.891 7.375 2.156 505 3HG2 THR 95 3HG2 THR 95 17.181 7.416 3.895 506 H PHE 96 H PHE 96 15.692 5.474 4.145 507 HA PHE 96 HA PHE 96 15.100 5.871 6.996 508 1HB PHE 96 1HB PHE 96 15.830 3.351 5.487 509 2HB PHE 96 2HB PHE 96 15.562 3.441 7.224 510 HD1 PHE 96 HD1 PHE 96 13.321 3.827 8.115 511 HD2 PHE 96 HD2 PHE 96 14.016 3.361 3.948 512 HE1 PHE 96 HE1 PHE 96 10.922 3.401 7.769 513 HE2 PHE 96 HE2 PHE 96 11.623 2.933 3.587 514 HZ PHE 96 HZ PHE 96 10.070 2.954 5.501 515 H ASP 97 H ASP 97 16.759 7.146 7.646 516 HA ASP 97 HA ASP 97 19.491 6.366 6.972 517 1HB ASP 97 1HB ASP 97 20.156 8.523 7.906 518 2HB ASP 97 2HB ASP 97 18.869 8.741 6.730 519 H TYR 98 H TYR 98 17.799 4.813 8.785 520 HA TYR 98 HA TYR 98 19.242 5.095 11.318 521 1HB TYR 98 1HB TYR 98 16.790 3.485 10.586 522 2HB TYR 98 2HB TYR 98 17.581 3.408 12.156 523 HD1 TYR 98 HD1 TYR 98 17.717 5.551 13.530 524 HD2 TYR 98 HD2 TYR 98 15.207 5.129 10.122 525 HE1 TYR 98 HE1 TYR 98 16.375 7.468 14.286 526 HE2 TYR 98 HE2 TYR 98 13.862 7.041 10.870 527 HH TYR 98 HH TYR 98 14.883 9.171 13.279 528 H GLN 99 H GLN 99 19.103 2.466 12.195 529 HA GLN 99 HA GLN 99 21.208 1.307 10.534 530 1HB GLN 99 1HB GLN 99 21.367 1.781 13.085 531 2HB GLN 99 2HB GLN 99 20.408 0.322 13.258 532 1HG GLN 99 1HG GLN 99 22.992 0.363 11.738 533 2HG GLN 99 2HG GLN 99 22.926 0.114 13.480 534 1HE2 GLN 99 1HE2 GLN 99 22.010 -1.779 14.289 535 2HE2 GLN 99 2HE2 GLN 99 21.792 -3.182 13.291 536 H MET 100 H MET 100 18.344 0.171 12.347 537 HA MET 100 HA MET 100 18.379 -2.294 10.771 538 1HB MET 100 1HB MET 100 16.876 -1.518 13.276 539 2HB MET 100 2HB MET 100 16.658 -3.052 12.442 540 1HG MET 100 1HG MET 100 19.245 -2.061 13.620 541 2HG MET 100 2HG MET 100 18.159 -3.231 14.367 542 1HE MET 100 1HE MET 100 18.385 -6.256 11.899 543 2HE MET 100 2HE MET 100 17.185 -4.965 11.947 544 3HE MET 100 3HE MET 100 17.757 -5.693 13.448 545 H THR 101 H THR 101 17.495 0.156 9.514 546 HA THR 101 HA THR 101 14.606 -0.257 9.282 547 HB THR 101 HB THR 101 14.853 1.719 7.901 548 HG1 THR 101 HG1 THR 101 17.075 1.857 7.728 549 1HG2 THR 101 1HG2 THR 101 13.760 1.589 10.076 550 2HG2 THR 101 2HG2 THR 101 14.698 3.073 9.916 551 3HG2 THR 101 3HG2 THR 101 15.326 1.732 10.875 552 HA PRO 102 HA PRO 102 14.881 -1.811 5.097 553 1HB PRO 102 1HB PRO 102 12.709 -0.050 4.224 554 2HB PRO 102 2HB PRO 102 12.728 -1.807 4.383 555 1HG PRO 102 1HG PRO 102 11.306 -0.225 6.041 556 2HG PRO 102 2HG PRO 102 12.033 -1.752 6.575 557 1HD PRO 102 1HD PRO 102 12.996 1.054 6.987 558 2HD PRO 102 2HD PRO 102 12.982 -0.312 8.123 559 H THR 103 H THR 103 14.576 -0.831 2.688 560 HA THR 103 HA THR 103 16.634 1.192 2.478 561 HB THR 103 HB THR 103 16.250 0.918 0.181 562 HG1 THR 103 HG1 THR 103 14.031 -0.098 0.810 563 1HG2 THR 103 1HG2 THR 103 16.928 -1.472 1.880 564 2HG2 THR 103 2HG2 THR 103 18.032 -0.179 1.413 565 3HG2 THR 103 3HG2 THR 103 17.368 -1.257 0.185 566 H LYS 104 H LYS 104 16.428 3.001 1.027 567 HA LYS 104 HA LYS 104 14.206 4.630 1.651 568 1HB LYS 104 1HB LYS 104 16.415 5.569 1.106 569 2HB LYS 104 2HB LYS 104 16.257 4.986 -0.547 570 1HG LYS 104 1HG LYS 104 14.178 6.406 -0.720 571 2HG LYS 104 2HG LYS 104 14.652 7.127 0.817 572 1HD LYS 104 1HD LYS 104 16.800 7.802 -0.202 573 2HD LYS 104 2HD LYS 104 16.245 7.143 -1.746 574 1HE LYS 104 1HE LYS 104 14.315 8.686 -1.663 575 2HE LYS 104 2HE LYS 104 14.967 9.384 -0.182 576 1HZ LYS 104 1HZ LYS 104 17.017 9.896 -1.540 577 2HZ LYS 104 2HZ LYS 104 15.625 10.788 -1.912 578 3HZ LYS 104 3HZ LYS 104 16.098 9.513 -2.917 579 H VAL 105 H VAL 105 12.215 4.319 0.900 580 HA VAL 105 HA VAL 105 11.909 3.559 -1.910 581 HB VAL 105 HB VAL 105 9.813 2.791 -1.358 582 1HG1 VAL 105 1HG1 VAL 105 10.675 0.717 -0.358 583 2HG1 VAL 105 2HG1 VAL 105 12.178 1.547 0.042 584 3HG1 VAL 105 3HG1 VAL 105 11.723 1.314 -1.646 585 1HG2 VAL 105 1HG2 VAL 105 10.748 3.123 1.483 586 2HG2 VAL 105 2HG2 VAL 105 9.279 2.301 0.952 587 3HG2 VAL 105 3HG2 VAL 105 9.454 4.039 0.709 588 H LYS 106 H LYS 106 10.001 4.320 -2.972 589 HA LYS 106 HA LYS 106 9.001 6.867 -1.894 590 1HB LYS 106 1HB LYS 106 10.622 7.180 -3.764 591 2HB LYS 106 2HB LYS 106 9.567 6.227 -4.797 592 1HG LYS 106 1HG LYS 106 7.838 7.891 -4.656 593 2HG LYS 106 2HG LYS 106 8.770 8.809 -3.469 594 1HD LYS 106 1HD LYS 106 10.548 9.116 -5.168 595 2HD LYS 106 2HD LYS 106 9.520 8.296 -6.345 596 1HE LYS 106 1HE LYS 106 7.855 10.012 -6.183 597 2HE LYS 106 2HE LYS 106 8.712 10.780 -4.848 598 1HZ LYS 106 1HZ LYS 106 9.655 10.571 -7.658 599 2HZ LYS 106 2HZ LYS 106 10.562 11.215 -6.378 600 3HZ LYS 106 3HZ LYS 106 9.126 11.976 -6.864 601 H VAL 107 H VAL 107 6.859 6.937 -1.695 602 HA VAL 107 HA VAL 107 5.338 4.694 -2.856 603 HB VAL 107 HB VAL 107 4.236 6.578 -1.039 604 1HG1 VAL 107 1HG1 VAL 107 3.080 4.517 -0.332 605 2HG1 VAL 107 2HG1 VAL 107 3.957 3.623 -1.573 606 3HG1 VAL 107 3HG1 VAL 107 2.830 4.899 -2.036 607 1HG2 VAL 107 1HG2 VAL 107 6.403 6.063 -0.039 608 2HG2 VAL 107 2HG2 VAL 107 6.108 4.338 -0.260 609 3HG2 VAL 107 3HG2 VAL 107 5.093 5.272 0.840 610 H HIS 108 H HIS 108 4.247 5.182 -4.681 611 HA HIS 108 HA HIS 108 2.925 7.813 -4.711 612 1HB HIS 108 1HB HIS 108 4.331 7.070 -6.742 613 2HB HIS 108 2HB HIS 108 3.043 5.913 -7.055 614 HD1 HIS 108 HD1 HIS 108 3.912 8.548 -8.787 615 HD2 HIS 108 HD2 HIS 108 0.551 8.052 -6.383 616 HE1 HIS 108 HE1 HIS 108 2.214 10.194 -9.637 617 HE2 HIS 108 HE2 HIS 108 0.274 10.023 -8.039 618 H MET 109 H MET 109 1.132 7.602 -3.619 619 HA MET 109 HA MET 109 -0.572 5.250 -4.005 620 1HB MET 109 1HB MET 109 -0.716 7.549 -2.040 621 2HB MET 109 2HB MET 109 -1.883 6.237 -2.117 622 1HG MET 109 1HG MET 109 -0.242 4.640 -1.460 623 2HG MET 109 2HG MET 109 1.050 5.828 -1.611 624 1HE MET 109 1HE MET 109 0.357 8.222 1.382 625 2HE MET 109 2HE MET 109 -0.252 8.418 -0.261 626 3HE MET 109 3HE MET 109 1.398 7.853 0.006 627 H LYS 110 H LYS 110 -2.681 5.462 -4.807 628 HA LYS 110 HA LYS 110 -3.504 8.125 -5.638 629 1HB LYS 110 1HB LYS 110 -3.941 7.450 -7.963 630 2HB LYS 110 2HB LYS 110 -2.228 7.357 -7.580 631 1HG LYS 110 1HG LYS 110 -2.256 5.013 -7.515 632 2HG LYS 110 2HG LYS 110 -4.016 4.956 -7.442 633 1HD LYS 110 1HD LYS 110 -3.341 4.322 -9.650 634 2HD LYS 110 2HD LYS 110 -4.077 5.921 -9.738 635 1HE LYS 110 1HE LYS 110 -1.898 6.959 -9.845 636 2HE LYS 110 2HE LYS 110 -1.111 5.397 -9.623 637 1HZ LYS 110 1HZ LYS 110 -2.162 4.674 -11.725 638 2HZ LYS 110 2HZ LYS 110 -1.073 5.953 -11.931 639 3HZ LYS 110 3HZ LYS 110 -2.744 6.252 -11.955 640 H LYS 111 H LYS 111 -5.562 8.339 -5.073 641 HA LYS 111 HA LYS 111 -7.299 6.345 -4.387 642 1HB LYS 111 1HB LYS 111 -7.602 8.683 -3.934 643 2HB LYS 111 2HB LYS 111 -7.754 9.039 -5.644 644 1HG LYS 111 1HG LYS 111 -9.853 7.844 -5.750 645 2HG LYS 111 2HG LYS 111 -9.680 7.346 -4.062 646 1HD LYS 111 1HD LYS 111 -9.491 9.892 -3.601 647 2HD LYS 111 2HD LYS 111 -10.250 10.056 -5.187 648 1HE LYS 111 1HE LYS 111 -11.395 8.384 -2.953 649 2HE LYS 111 2HE LYS 111 -11.852 10.059 -3.255 650 1HZ LYS 111 1HZ LYS 111 -13.328 8.280 -4.238 651 2HZ LYS 111 2HZ LYS 111 -12.079 7.971 -5.347 652 3HZ LYS 111 3HZ LYS 111 -12.808 9.500 -5.297 653 H ALA 112 H ALA 112 -7.988 4.712 -5.513 654 HA ALA 112 HA ALA 112 -7.462 4.253 -8.189 655 1HB ALA 112 1HB ALA 112 -9.620 2.977 -6.510 656 2HB ALA 112 2HB ALA 112 -7.924 2.492 -6.548 657 3HB ALA 112 3HB ALA 112 -8.922 2.325 -7.993 658 H LEU 113 H LEU 113 -8.626 4.501 -10.048 659 HA LEU 113 HA LEU 113 -10.527 6.593 -10.133 660 1HB LEU 113 1HB LEU 113 -9.856 4.595 -12.289 661 2HB LEU 113 2HB LEU 113 -10.628 6.152 -12.515 662 HG LEU 113 HG LEU 113 -7.800 5.742 -11.535 663 1HD1 LEU 113 1HD1 LEU 113 -7.138 6.612 -13.714 664 2HD1 LEU 113 2HD1 LEU 113 -8.828 6.675 -14.211 665 3HD1 LEU 113 3HD1 LEU 113 -8.064 5.120 -13.879 666 1HD2 LEU 113 1HD2 LEU 113 -7.583 8.159 -11.845 667 2HD2 LEU 113 2HD2 LEU 113 -8.817 7.772 -10.646 668 3HD2 LEU 113 3HD2 LEU 113 -9.291 8.258 -12.274 669 H SER 114 H SER 114 -10.854 3.348 -9.392 670 HA SER 114 HA SER 114 -13.456 2.840 -10.402 671 1HB SER 114 1HB SER 114 -12.155 1.609 -7.962 672 2HB SER 114 2HB SER 114 -13.423 0.907 -8.968 673 HG SER 114 HG SER 114 -11.981 0.327 -10.411 674 H GLY 115 H GLY 115 -12.197 4.209 -7.393 675 1HA GLY 115 1HA GLY 115 -14.003 5.973 -6.689 676 2HA GLY 115 2HA GLY 115 -14.913 4.509 -6.352 677 H ASP 116 H ASP 116 -14.612 3.478 -4.473 678 HA ASP 116 HA ASP 116 -12.987 4.873 -2.503 679 1HB ASP 116 1HB ASP 116 -15.250 2.926 -2.355 680 2HB ASP 116 2HB ASP 116 -14.190 3.119 -0.962 681 H SER 117 H SER 117 -11.131 3.951 -3.793 682 HA SER 117 HA SER 117 -9.899 1.953 -2.141 683 1HB SER 117 1HB SER 117 -9.135 0.758 -4.342 684 2HB SER 117 2HB SER 117 -10.650 0.320 -3.563 685 HG SER 117 HG SER 117 -10.968 0.619 -5.786 686 H TYR 118 H TYR 118 -7.556 1.873 -2.585 687 HA TYR 118 HA TYR 118 -6.560 4.179 -4.107 688 1HB TYR 118 1HB TYR 118 -5.707 3.720 -1.237 689 2HB TYR 118 2HB TYR 118 -5.308 5.090 -2.277 690 HD1 TYR 118 HD1 TYR 118 -7.712 3.656 -0.017 691 HD2 TYR 118 HD2 TYR 118 -7.033 6.729 -2.848 692 HE1 TYR 118 HE1 TYR 118 -9.629 4.905 0.901 693 HE2 TYR 118 HE2 TYR 118 -8.946 8.000 -1.954 694 HH TYR 118 HH TYR 118 -10.957 7.637 -0.673 695 H TRP 119 H TRP 119 -4.531 3.886 -4.983 696 HA TRP 119 HA TRP 119 -3.466 1.191 -4.765 697 1HB TRP 119 1HB TRP 119 -2.870 3.508 -6.594 698 2HB TRP 119 2HB TRP 119 -2.018 1.954 -6.664 699 HD1 TRP 119 HD1 TRP 119 -5.714 3.194 -6.914 700 HE1 TRP 119 HE1 TRP 119 -6.872 1.739 -8.724 701 HE3 TRP 119 HE3 TRP 119 -1.816 0.151 -8.119 702 HZ2 TRP 119 HZ2 TRP 119 -6.184 -0.409 -10.429 703 HZ3 TRP 119 HZ3 TRP 119 -2.112 -1.544 -9.827 704 HH2 TRP 119 HH2 TRP 119 -4.255 -1.835 -10.981 705 H VAL 120 H VAL 120 -1.191 0.897 -4.705 706 HA VAL 120 HA VAL 120 0.374 2.980 -3.349 707 HB VAL 120 HB VAL 120 0.218 0.184 -2.675 708 1HG1 VAL 120 1HG1 VAL 120 2.475 1.081 -2.450 709 2HG1 VAL 120 2HG1 VAL 120 1.747 0.832 -0.864 710 3HG1 VAL 120 3HG1 VAL 120 1.850 2.457 -1.542 711 1HG2 VAL 120 1HG2 VAL 120 -1.727 1.334 -1.872 712 2HG2 VAL 120 2HG2 VAL 120 -0.734 2.649 -1.242 713 3HG2 VAL 120 3HG2 VAL 120 -0.625 1.040 -0.527 714 H PHE 121 H PHE 121 1.738 3.347 -5.062 715 HA PHE 121 HA PHE 121 3.152 1.027 -6.200 716 1HB PHE 121 1HB PHE 121 3.152 3.921 -7.082 717 2HB PHE 121 2HB PHE 121 4.043 2.630 -7.863 718 HD1 PHE 121 HD1 PHE 121 0.601 3.698 -6.984 719 HD2 PHE 121 HD2 PHE 121 3.067 1.427 -9.601 720 HE1 PHE 121 HE1 PHE 121 -1.348 3.238 -8.415 721 HE2 PHE 121 HE2 PHE 121 1.126 0.970 -11.039 722 HZ PHE 121 HZ PHE 121 -1.046 1.903 -10.510 723 H VAL 122 H VAL 122 4.830 0.498 -4.894 724 HA VAL 122 HA VAL 122 6.400 2.662 -3.728 725 HB VAL 122 HB VAL 122 5.727 0.846 -2.481 726 1HG1 VAL 122 1HG1 VAL 122 7.641 -0.687 -4.224 727 2HG1 VAL 122 2HG1 VAL 122 5.903 -0.954 -4.072 728 3HG1 VAL 122 3HG1 VAL 122 6.966 -1.259 -2.698 729 1HG2 VAL 122 1HG2 VAL 122 8.681 1.257 -2.789 730 2HG2 VAL 122 2HG2 VAL 122 7.874 0.566 -1.383 731 3HG2 VAL 122 3HG2 VAL 122 7.577 2.244 -1.832 732 H LYS 123 H LYS 123 8.550 3.023 -4.169 733 HA LYS 123 HA LYS 123 9.863 1.490 -6.245 734 1HB LYS 123 1HB LYS 123 8.546 3.146 -7.489 735 2HB LYS 123 2HB LYS 123 9.232 4.437 -6.518 736 1HG LYS 123 1HG LYS 123 11.475 3.841 -7.430 737 2HG LYS 123 2HG LYS 123 10.669 2.697 -8.507 738 1HD LYS 123 1HD LYS 123 9.375 4.518 -9.489 739 2HD LYS 123 2HD LYS 123 10.138 5.668 -8.389 740 1HE LYS 123 1HE LYS 123 11.252 5.843 -10.484 741 2HE LYS 123 2HE LYS 123 12.341 5.012 -9.377 742 1HZ LYS 123 1HZ LYS 123 10.707 3.792 -11.533 743 2HZ LYS 123 2HZ LYS 123 11.558 2.889 -10.376 744 3HZ LYS 123 3HZ LYS 123 12.400 3.892 -11.457 745 H ARG 124 H ARG 124 11.771 1.073 -5.271 746 HA ARG 124 HA ARG 124 12.825 2.861 -3.285 747 1HB ARG 124 1HB ARG 124 14.560 1.266 -2.938 748 2HB ARG 124 2HB ARG 124 13.071 0.366 -3.166 749 1HG ARG 124 1HG ARG 124 13.701 -0.354 -5.307 750 2HG ARG 124 2HG ARG 124 14.994 0.844 -5.418 751 1HD ARG 124 1HD ARG 124 14.898 -1.541 -3.572 752 2HD ARG 124 2HD ARG 124 15.930 -1.351 -4.990 753 HE ARG 124 HE ARG 124 16.241 0.696 -2.958 754 1HH1 ARG 124 1HH1 ARG 124 17.376 -2.358 -4.228 755 2HH1 ARG 124 2HH1 ARG 124 18.903 -2.284 -3.407 756 1HH2 ARG 124 1HH2 ARG 124 18.242 0.820 -1.890 757 2HH2 ARG 124 2HH2 ARG 124 19.404 -0.463 -2.078 758 H VAL 125 H VAL 125 14.610 4.140 -3.412 759 HA VAL 125 HA VAL 125 15.556 4.750 -6.122 760 HB VAL 125 HB VAL 125 15.955 6.173 -3.655 761 1HG1 VAL 125 1HG1 VAL 125 16.331 6.896 -6.559 762 2HG1 VAL 125 2HG1 VAL 125 17.620 6.589 -5.397 763 3HG1 VAL 125 3HG1 VAL 125 16.556 7.979 -5.185 764 1HG2 VAL 125 1HG2 VAL 125 13.588 6.026 -4.167 765 2HG2 VAL 125 2HG2 VAL 125 13.903 6.555 -5.820 766 3HG2 VAL 125 3HG2 VAL 125 14.204 7.649 -4.469 767 H2 HC4 169 H2 HC4 169 3.928 0.777 19.919 768 H3 HC4 169 H3 HC4 169 5.379 0.517 21.513 769 H2' HC4 169 H2' HC4 169 6.713 -0.600 23.189 770 H3' HC4 169 H3' HC4 169 7.787 -2.581 24.161 771 H5' HC4 169 H5' HC4 169 5.593 -5.064 21.491 772 H6' HC4 169 H6' HC4 169 4.612 -3.075 20.458 773 'HO4 HC4 169 'HO4 HC4 169 7.293 -4.974 24.424 Start of MODEL 2 1 H LEU 26 H LEU 26 6.447 -5.488 -15.147 2 HA LEU 26 HA LEU 26 4.976 -3.497 -13.530 3 1HB LEU 26 1HB LEU 26 5.001 -6.517 -13.425 4 2HB LEU 26 2HB LEU 26 4.308 -5.494 -12.183 5 HG LEU 26 HG LEU 26 3.357 -5.688 -15.043 6 1HD1 LEU 26 1HD1 LEU 26 1.370 -6.721 -14.052 7 2HD1 LEU 26 2HD1 LEU 26 2.133 -6.662 -12.465 8 3HD1 LEU 26 3HD1 LEU 26 2.824 -7.669 -13.737 9 1HD2 LEU 26 1HD2 LEU 26 1.495 -4.280 -14.299 10 2HD2 LEU 26 2HD2 LEU 26 3.039 -3.443 -14.151 11 3HD2 LEU 26 3HD2 LEU 26 2.258 -4.109 -12.717 12 H ALA 27 H ALA 27 5.771 -3.116 -11.509 13 HA ALA 27 HA ALA 27 8.544 -3.932 -11.054 14 1HB ALA 27 1HB ALA 27 6.865 -1.856 -9.644 15 2HB ALA 27 2HB ALA 27 8.022 -1.541 -10.937 16 3HB ALA 27 3HB ALA 27 8.583 -2.152 -9.381 17 H PHE 28 H PHE 28 8.719 -3.779 -8.325 18 HA PHE 28 HA PHE 28 7.189 -6.135 -7.513 19 1HB PHE 28 1HB PHE 28 9.595 -4.796 -6.255 20 2HB PHE 28 2HB PHE 28 8.799 -6.230 -5.611 21 HD1 PHE 28 HD1 PHE 28 11.054 -4.923 -8.130 22 HD2 PHE 28 HD2 PHE 28 8.908 -8.364 -6.837 23 HE1 PHE 28 HE1 PHE 28 12.469 -6.341 -9.560 24 HE2 PHE 28 HE2 PHE 28 10.323 -9.786 -8.262 25 HZ PHE 28 HZ PHE 28 12.076 -8.782 -9.644 26 H GLY 29 H GLY 29 7.666 -2.767 -6.754 27 1HA GLY 29 1HA GLY 29 5.843 -2.951 -4.472 28 2HA GLY 29 2HA GLY 29 6.804 -1.549 -4.923 29 H ALA 30 H ALA 30 4.098 -3.542 -6.069 30 HA ALA 30 HA ALA 30 2.655 -1.085 -6.683 31 1HB ALA 30 1HB ALA 30 3.059 -3.251 -8.745 32 2HB ALA 30 2HB ALA 30 3.800 -1.651 -8.779 33 3HB ALA 30 3HB ALA 30 2.050 -1.817 -8.927 34 H ILE 31 H ILE 31 1.038 -1.442 -5.268 35 HA ILE 31 HA ILE 31 -0.582 -3.835 -5.751 36 HB ILE 31 HB ILE 31 0.558 -4.236 -3.931 37 1HG1 ILE 31 1HG1 ILE 31 -2.293 -3.502 -3.415 38 2HG1 ILE 31 2HG1 ILE 31 -1.623 -5.055 -3.907 39 1HG2 ILE 31 1HG2 ILE 31 0.436 -2.832 -1.915 40 2HG2 ILE 31 2HG2 ILE 31 -0.414 -1.601 -2.850 41 3HG2 ILE 31 3HG2 ILE 31 1.251 -2.021 -3.252 42 1HD1 ILE 31 1HD1 ILE 31 -0.545 -5.305 -1.760 43 2HD1 ILE 31 2HD1 ILE 31 -2.276 -5.040 -1.560 44 3HD1 ILE 31 3HD1 ILE 31 -1.142 -3.724 -1.257 45 H GLN 32 H GLN 32 -2.748 -3.572 -5.689 46 HA GLN 32 HA GLN 32 -3.687 -0.817 -5.286 47 1HB GLN 32 1HB GLN 32 -4.642 -0.884 -7.308 48 2HB GLN 32 2HB GLN 32 -3.819 -2.406 -7.589 49 1HG GLN 32 1HG GLN 32 -5.969 -2.938 -8.101 50 2HG GLN 32 2HG GLN 32 -5.876 -3.435 -6.410 51 1HE2 GLN 32 1HE2 GLN 32 -7.145 -1.094 -8.653 52 2HE2 GLN 32 2HE2 GLN 32 -8.304 -0.392 -7.584 53 H LEU 33 H LEU 33 -5.021 -0.551 -3.656 54 HA LEU 33 HA LEU 33 -6.604 -2.850 -2.716 55 1HB LEU 33 1HB LEU 33 -5.988 -2.297 -0.373 56 2HB LEU 33 2HB LEU 33 -4.678 -2.938 -1.338 57 HG LEU 33 HG LEU 33 -3.993 -0.462 -1.671 58 1HD1 LEU 33 1HD1 LEU 33 -4.580 1.019 0.162 59 2HD1 LEU 33 2HD1 LEU 33 -5.657 -0.207 0.829 60 3HD1 LEU 33 3HD1 LEU 33 -6.022 0.533 -0.730 61 1HD2 LEU 33 1HD2 LEU 33 -2.675 -2.072 -0.437 62 2HD2 LEU 33 2HD2 LEU 33 -3.697 -1.855 0.984 63 3HD2 LEU 33 3HD2 LEU 33 -2.692 -0.526 0.410 64 H ASP 34 H ASP 34 -8.270 -2.240 -1.173 65 HA ASP 34 HA ASP 34 -9.374 0.372 -1.937 66 1HB ASP 34 1HB ASP 34 -11.532 -0.458 -1.055 67 2HB ASP 34 2HB ASP 34 -10.893 -1.445 -2.360 68 H GLY 35 H GLY 35 -10.401 1.706 -0.393 69 1HA GLY 35 1HA GLY 35 -8.646 2.199 1.805 70 2HA GLY 35 2HA GLY 35 -10.091 3.111 1.401 71 H ASP 36 H ASP 36 -11.540 0.418 1.467 72 HA ASP 36 HA ASP 36 -12.500 0.535 4.110 73 1HB ASP 36 1HB ASP 36 -13.862 -0.344 2.320 74 2HB ASP 36 2HB ASP 36 -12.699 -1.628 2.004 75 H GLY 37 H GLY 37 -10.132 -1.562 2.524 76 1HA GLY 37 1HA GLY 37 -8.156 -1.863 4.102 77 2HA GLY 37 2HA GLY 37 -9.349 -2.544 5.200 78 H ASN 38 H ASN 38 -9.161 -3.029 1.698 79 HA ASN 38 HA ASN 38 -8.379 -5.833 2.166 80 1HB ASN 38 1HB ASN 38 -10.492 -5.064 0.147 81 2HB ASN 38 2HB ASN 38 -10.075 -6.674 0.723 82 1HD2 ASN 38 1HD2 ASN 38 -11.609 -3.655 1.521 83 2HD2 ASN 38 2HD2 ASN 38 -12.607 -4.264 2.809 84 H ILE 39 H ILE 39 -7.163 -6.760 0.507 85 HA ILE 39 HA ILE 39 -6.053 -4.888 -1.416 86 HB ILE 39 HB ILE 39 -5.573 -7.669 -0.833 87 1HG1 ILE 39 1HG1 ILE 39 -4.009 -5.161 -0.326 88 2HG1 ILE 39 2HG1 ILE 39 -4.940 -6.036 0.883 89 1HG2 ILE 39 1HG2 ILE 39 -3.635 -7.414 -2.307 90 2HG2 ILE 39 2HG2 ILE 39 -4.137 -5.773 -2.712 91 3HG2 ILE 39 3HG2 ILE 39 -5.124 -7.145 -3.213 92 1HD1 ILE 39 1HD1 ILE 39 -2.571 -6.540 1.046 93 2HD1 ILE 39 2HD1 ILE 39 -2.564 -7.098 -0.627 94 3HD1 ILE 39 3HD1 ILE 39 -3.493 -7.973 0.590 95 H LEU 40 H LEU 40 -6.503 -4.856 -3.566 96 HA LEU 40 HA LEU 40 -8.608 -6.682 -4.491 97 1HB LEU 40 1HB LEU 40 -9.006 -4.244 -4.656 98 2HB LEU 40 2HB LEU 40 -7.620 -4.116 -5.727 99 HG LEU 40 HG LEU 40 -8.761 -5.575 -7.363 100 1HD1 LEU 40 1HD1 LEU 40 -11.079 -5.407 -5.439 101 2HD1 LEU 40 2HD1 LEU 40 -10.146 -6.852 -5.826 102 3HD1 LEU 40 3HD1 LEU 40 -11.140 -6.086 -7.066 103 1HD2 LEU 40 1HD2 LEU 40 -8.968 -3.166 -7.582 104 2HD2 LEU 40 2HD2 LEU 40 -10.353 -3.166 -6.492 105 3HD2 LEU 40 3HD2 LEU 40 -10.470 -3.956 -8.063 106 H GLN 41 H GLN 41 -5.446 -5.378 -5.417 107 HA GLN 41 HA GLN 41 -4.803 -7.869 -6.729 108 1HB GLN 41 1HB GLN 41 -6.009 -6.667 -8.511 109 2HB GLN 41 2HB GLN 41 -4.893 -5.317 -8.351 110 1HG GLN 41 1HG GLN 41 -4.245 -6.615 -10.245 111 2HG GLN 41 2HG GLN 41 -3.040 -6.839 -8.979 112 1HE2 GLN 41 1HE2 GLN 41 -5.593 -8.301 -10.794 113 2HE2 GLN 41 2HE2 GLN 41 -5.283 -9.935 -10.320 114 H TYR 42 H TYR 42 -2.632 -8.229 -6.867 115 HA TYR 42 HA TYR 42 -0.863 -6.018 -6.042 116 1HB TYR 42 1HB TYR 42 -1.021 -8.036 -4.490 117 2HB TYR 42 2HB TYR 42 -0.254 -8.969 -5.771 118 HD1 TYR 42 HD1 TYR 42 2.102 -8.767 -6.204 119 HD2 TYR 42 HD2 TYR 42 0.216 -6.234 -3.356 120 HE1 TYR 42 HE1 TYR 42 4.310 -8.056 -5.385 121 HE2 TYR 42 HE2 TYR 42 2.418 -5.517 -2.528 122 HH TYR 42 HH TYR 42 5.280 -6.070 -4.199 123 H ASN 43 H ASN 43 0.321 -5.264 -7.678 124 HA ASN 43 HA ASN 43 0.417 -6.854 -10.124 125 1HB ASN 43 1HB ASN 43 1.143 -3.948 -9.670 126 2HB ASN 43 2HB ASN 43 1.114 -4.765 -11.230 127 1HD2 ASN 43 1HD2 ASN 43 -0.755 -3.365 -8.696 128 2HD2 ASN 43 2HD2 ASN 43 -2.279 -3.410 -9.508 129 H ALA 44 H ALA 44 1.967 -8.312 -9.628 130 HA ALA 44 HA ALA 44 4.618 -7.578 -10.342 131 1HB ALA 44 1HB ALA 44 4.753 -6.900 -8.001 132 2HB ALA 44 2HB ALA 44 5.743 -8.333 -8.282 133 3HB ALA 44 3HB ALA 44 4.173 -8.485 -7.493 134 H ALA 45 H ALA 45 2.200 -9.454 -10.647 135 HA ALA 45 HA ALA 45 3.723 -11.914 -10.952 136 1HB ALA 45 1HB ALA 45 2.028 -13.249 -9.822 137 2HB ALA 45 2HB ALA 45 1.126 -11.787 -9.423 138 3HB ALA 45 3HB ALA 45 2.722 -12.058 -8.722 139 H GLU 46 H GLU 46 3.522 -12.183 -13.060 140 HA GLU 46 HA GLU 46 0.825 -12.675 -14.051 141 1HB GLU 46 1HB GLU 46 1.583 -11.749 -16.315 142 2HB GLU 46 2HB GLU 46 1.165 -10.586 -15.068 143 1HG GLU 46 1HG GLU 46 3.516 -10.207 -14.600 144 2HG GLU 46 2HG GLU 46 3.963 -11.426 -15.796 145 H GLY 47 H GLY 47 0.933 -14.801 -14.128 146 1HA GLY 47 1HA GLY 47 1.675 -16.796 -15.261 147 2HA GLY 47 2HA GLY 47 3.260 -16.051 -15.445 148 H ASP 48 H ASP 48 2.792 -15.027 -12.592 149 HA ASP 48 HA ASP 48 4.156 -17.171 -11.257 150 1HB ASP 48 1HB ASP 48 3.055 -14.587 -10.119 151 2HB ASP 48 2HB ASP 48 4.176 -15.674 -9.310 152 H ILE 49 H ILE 49 2.933 -18.925 -10.796 153 HA ILE 49 HA ILE 49 0.323 -18.481 -9.521 154 HB ILE 49 HB ILE 49 1.539 -20.889 -10.523 155 1HG1 ILE 49 1HG1 ILE 49 1.073 -19.278 -12.304 156 2HG1 ILE 49 2HG1 ILE 49 -0.048 -20.634 -12.356 157 1HG2 ILE 49 1HG2 ILE 49 -0.711 -21.793 -10.262 158 2HG2 ILE 49 2HG2 ILE 49 -1.250 -20.272 -9.550 159 3HG2 ILE 49 3HG2 ILE 49 -0.059 -21.268 -8.709 160 1HD1 ILE 49 1HD1 ILE 49 -0.621 -17.892 -11.259 161 2HD1 ILE 49 2HD1 ILE 49 -1.749 -19.249 -11.268 162 3HD1 ILE 49 3HD1 ILE 49 -1.195 -18.552 -12.791 163 H THR 50 H THR 50 0.000 -19.020 -7.427 164 HA THR 50 HA THR 50 2.305 -20.166 -5.997 165 HB THR 50 HB THR 50 1.338 -19.030 -4.139 166 HG1 THR 50 HG1 THR 50 -0.459 -18.002 -4.571 167 1HG2 THR 50 1HG2 THR 50 3.413 -18.398 -5.257 168 2HG2 THR 50 2HG2 THR 50 2.491 -16.979 -4.758 169 3HG2 THR 50 3HG2 THR 50 2.491 -17.481 -6.450 170 H GLY 51 H GLY 51 1.635 -21.031 -3.775 171 1HA GLY 51 1HA GLY 51 -0.972 -22.424 -3.968 172 2HA GLY 51 2HA GLY 51 0.478 -23.200 -3.335 173 H ARG 52 H ARG 52 0.744 -23.162 -1.190 174 HA ARG 52 HA ARG 52 -0.836 -21.371 0.449 175 1HB ARG 52 1HB ARG 52 1.309 -23.373 1.191 176 2HB ARG 52 2HB ARG 52 0.349 -22.461 2.347 177 1HG ARG 52 1HG ARG 52 -1.672 -23.543 1.572 178 2HG ARG 52 2HG ARG 52 -0.755 -24.409 0.336 179 1HD ARG 52 1HD ARG 52 -1.176 -25.852 2.241 180 2HD ARG 52 2HD ARG 52 0.547 -25.513 2.089 181 HE ARG 52 HE ARG 52 -0.835 -23.740 3.887 182 1HH1 ARG 52 1HH1 ARG 52 0.782 -26.833 3.601 183 2HH1 ARG 52 2HH1 ARG 52 1.229 -26.900 5.278 184 1HH2 ARG 52 1HH2 ARG 52 -0.281 -23.836 6.094 185 2HH2 ARG 52 2HH2 ARG 52 0.614 -25.200 6.706 186 H ASP 53 H ASP 53 -0.127 -19.320 -0.051 187 HA ASP 53 HA ASP 53 2.685 -18.727 0.599 188 1HB ASP 53 1HB ASP 53 2.257 -18.798 -1.870 189 2HB ASP 53 2HB ASP 53 1.123 -17.469 -1.663 190 HA PRO 54 HA PRO 54 0.314 -15.955 3.203 191 1HB PRO 54 1HB PRO 54 2.601 -15.730 4.906 192 2HB PRO 54 2HB PRO 54 1.148 -16.695 5.161 193 1HG PRO 54 1HG PRO 54 3.668 -17.731 4.714 194 2HG PRO 54 2HG PRO 54 2.151 -18.604 4.441 195 1HD PRO 54 1HD PRO 54 3.915 -17.206 2.470 196 2HD PRO 54 2HD PRO 54 3.019 -18.732 2.302 197 H LYS 55 H LYS 55 1.785 -14.899 0.876 198 HA LYS 55 HA LYS 55 3.171 -12.550 1.866 199 1HB LYS 55 1HB LYS 55 2.550 -13.678 -0.826 200 2HB LYS 55 2HB LYS 55 2.869 -11.956 -0.710 201 1HG LYS 55 1HG LYS 55 4.847 -13.307 -1.313 202 2HG LYS 55 2HG LYS 55 5.062 -12.353 0.152 203 1HD LYS 55 1HD LYS 55 4.955 -14.229 1.530 204 2HD LYS 55 2HD LYS 55 4.168 -15.208 0.290 205 1HE LYS 55 1HE LYS 55 6.990 -14.178 0.083 206 2HE LYS 55 2HE LYS 55 6.569 -15.773 0.705 207 1HZ LYS 55 1HZ LYS 55 7.153 -15.926 -1.610 208 2HZ LYS 55 2HZ LYS 55 6.010 -14.753 -2.029 209 3HZ LYS 55 3HZ LYS 55 5.498 -16.257 -1.434 210 H GLN 56 H GLN 56 2.370 -10.448 0.491 211 HA GLN 56 HA GLN 56 -0.429 -10.092 1.271 212 1HB GLN 56 1HB GLN 56 1.781 -8.115 0.730 213 2HB GLN 56 2HB GLN 56 0.101 -7.631 0.909 214 1HG GLN 56 1HG GLN 56 1.776 -9.037 2.976 215 2HG GLN 56 2HG GLN 56 1.309 -7.338 2.987 216 1HE2 GLN 56 1HE2 GLN 56 0.216 -10.618 3.416 217 2HE2 GLN 56 2HE2 GLN 56 -1.281 -10.226 4.185 218 H VAL 57 H VAL 57 0.575 -11.459 -1.163 219 HA VAL 57 HA VAL 57 -0.286 -9.826 -3.369 220 HB VAL 57 HB VAL 57 -0.064 -12.680 -3.150 221 1HG1 VAL 57 1HG1 VAL 57 -0.098 -10.781 -5.497 222 2HG1 VAL 57 2HG1 VAL 57 -1.377 -11.914 -5.061 223 3HG1 VAL 57 3HG1 VAL 57 0.194 -12.519 -5.585 224 1HG2 VAL 57 1HG2 VAL 57 2.155 -12.320 -4.149 225 2HG2 VAL 57 2HG2 VAL 57 2.025 -11.680 -2.513 226 3HG2 VAL 57 3HG2 VAL 57 1.959 -10.586 -3.894 227 H ILE 58 H ILE 58 -2.298 -9.107 -2.826 228 HA ILE 58 HA ILE 58 -4.414 -9.097 -2.013 229 HB ILE 58 HB ILE 58 -4.710 -9.139 -4.159 230 1HG1 ILE 58 1HG1 ILE 58 -6.627 -11.068 -2.866 231 2HG1 ILE 58 2HG1 ILE 58 -6.669 -9.316 -2.706 232 1HG2 ILE 58 1HG2 ILE 58 -5.091 -11.173 -5.483 233 2HG2 ILE 58 2HG2 ILE 58 -4.598 -12.152 -4.101 234 3HG2 ILE 58 3HG2 ILE 58 -3.440 -11.070 -4.874 235 1HD1 ILE 58 1HD1 ILE 58 -7.072 -9.108 -5.099 236 2HD1 ILE 58 2HD1 ILE 58 -8.304 -10.100 -4.318 237 3HD1 ILE 58 3HD1 ILE 58 -7.025 -10.863 -5.262 238 H GLY 59 H GLY 59 -3.776 -10.036 -0.063 239 1HA GLY 59 1HA GLY 59 -5.411 -12.413 0.480 240 2HA GLY 59 2HA GLY 59 -3.757 -12.353 1.078 241 H LYS 60 H LYS 60 -5.448 -9.355 0.945 242 HA LYS 60 HA LYS 60 -5.710 -9.408 3.876 243 1HB LYS 60 1HB LYS 60 -4.253 -7.656 3.080 244 2HB LYS 60 2HB LYS 60 -5.451 -7.137 1.902 245 1HG LYS 60 1HG LYS 60 -5.454 -5.561 3.680 246 2HG LYS 60 2HG LYS 60 -6.934 -6.508 3.822 247 1HD LYS 60 1HD LYS 60 -5.995 -6.236 6.012 248 2HD LYS 60 2HD LYS 60 -5.791 -7.921 5.526 249 1HE LYS 60 1HE LYS 60 -3.471 -7.448 4.880 250 2HE LYS 60 2HE LYS 60 -3.675 -5.769 5.375 251 1HZ LYS 60 1HZ LYS 60 -2.568 -7.073 7.078 252 2HZ LYS 60 2HZ LYS 60 -3.886 -8.136 7.164 253 3HZ LYS 60 3HZ LYS 60 -4.066 -6.512 7.639 254 H ASN 61 H ASN 61 -7.722 -9.793 4.567 255 HA ASN 61 HA ASN 61 -9.913 -8.501 3.098 256 1HB ASN 61 1HB ASN 61 -11.378 -10.411 3.672 257 2HB ASN 61 2HB ASN 61 -10.032 -10.885 2.647 258 1HD2 ASN 61 1HD2 ASN 61 -11.669 -11.399 5.572 259 2HD2 ASN 61 2HD2 ASN 61 -10.597 -12.582 6.246 260 H PHE 62 H PHE 62 -10.083 -6.773 4.345 261 HA PHE 62 HA PHE 62 -10.337 -5.449 6.197 262 1HB PHE 62 1HB PHE 62 -12.594 -6.103 5.360 263 2HB PHE 62 2HB PHE 62 -12.645 -7.343 6.609 264 HD1 PHE 62 HD1 PHE 62 -11.702 -3.728 6.498 265 HD2 PHE 62 HD2 PHE 62 -14.001 -6.796 8.347 266 HE1 PHE 62 HE1 PHE 62 -12.601 -2.085 8.096 267 HE2 PHE 62 HE2 PHE 62 -14.899 -5.161 9.954 268 HZ PHE 62 HZ PHE 62 -14.171 -2.782 9.826 269 H PHE 63 H PHE 63 -8.427 -6.130 7.369 270 HA PHE 63 HA PHE 63 -8.881 -7.987 9.569 271 1HB PHE 63 1HB PHE 63 -6.771 -8.010 8.160 272 2HB PHE 63 2HB PHE 63 -6.344 -6.480 8.912 273 HD1 PHE 63 HD1 PHE 63 -4.824 -6.614 10.624 274 HD2 PHE 63 HD2 PHE 63 -7.526 -9.849 10.016 275 HE1 PHE 63 HE1 PHE 63 -3.796 -7.823 12.505 276 HE2 PHE 63 HE2 PHE 63 -6.500 -11.062 11.895 277 HZ PHE 63 HZ PHE 63 -4.633 -10.049 13.143 278 H LYS 64 H LYS 64 -10.081 -5.255 9.268 279 HA LYS 64 HA LYS 64 -8.995 -3.917 11.637 280 1HB LYS 64 1HB LYS 64 -10.885 -2.952 9.490 281 2HB LYS 64 2HB LYS 64 -10.431 -2.006 10.899 282 1HG LYS 64 1HG LYS 64 -8.158 -1.893 10.189 283 2HG LYS 64 2HG LYS 64 -8.452 -3.051 8.889 284 1HD LYS 64 1HD LYS 64 -9.903 -1.487 7.761 285 2HD LYS 64 2HD LYS 64 -9.783 -0.354 9.107 286 1HE LYS 64 1HE LYS 64 -7.426 -1.247 7.455 287 2HE LYS 64 2HE LYS 64 -8.370 0.202 7.109 288 1HZ LYS 64 1HZ LYS 64 -6.719 1.069 8.378 289 2HZ LYS 64 2HZ LYS 64 -6.507 -0.325 9.312 290 3HZ LYS 64 3HZ LYS 64 -7.826 0.705 9.609 291 H ASP 65 H ASP 65 -11.171 -6.221 11.061 292 HA ASP 65 HA ASP 65 -13.400 -5.240 12.606 293 1HB ASP 65 1HB ASP 65 -13.911 -6.875 10.926 294 2HB ASP 65 2HB ASP 65 -12.691 -7.983 11.547 295 H VAL 66 H VAL 66 -13.554 -5.239 14.735 296 HA VAL 66 HA VAL 66 -12.942 -5.371 16.921 297 HB VAL 66 HB VAL 66 -12.050 -8.007 16.185 298 1HG1 VAL 66 1HG1 VAL 66 -12.656 -8.456 18.537 299 2HG1 VAL 66 2HG1 VAL 66 -12.971 -6.735 18.765 300 3HG1 VAL 66 3HG1 VAL 66 -11.340 -7.291 18.394 301 1HG2 VAL 66 1HG2 VAL 66 -14.307 -8.706 16.752 302 2HG2 VAL 66 2HG2 VAL 66 -14.306 -7.621 15.361 303 3HG2 VAL 66 3HG2 VAL 66 -14.786 -7.021 16.948 304 H ALA 67 H ALA 67 -11.292 -3.844 16.543 305 HA ALA 67 HA ALA 67 -8.815 -4.039 15.513 306 1HB ALA 67 1HB ALA 67 -9.761 -1.979 16.418 307 2HB ALA 67 2HB ALA 67 -8.112 -2.241 16.986 308 3HB ALA 67 3HB ALA 67 -9.476 -2.567 18.056 309 HA PRO 68 HA PRO 68 -7.110 -7.177 18.218 310 1HB PRO 68 1HB PRO 68 -5.438 -8.253 16.451 311 2HB PRO 68 2HB PRO 68 -7.185 -8.457 16.287 312 1HG PRO 68 1HG PRO 68 -5.342 -6.637 14.807 313 2HG PRO 68 2HG PRO 68 -6.751 -7.532 14.213 314 1HD PRO 68 1HD PRO 68 -6.711 -4.834 14.946 315 2HD PRO 68 2HD PRO 68 -8.163 -5.832 14.740 316 H CYS 69 H CYS 69 -4.905 -7.832 18.882 317 HA CYS 69 HA CYS 69 -3.244 -5.631 19.524 318 1HB CYS 69 1HB CYS 69 -3.373 -7.669 20.915 319 2HB CYS 69 2HB CYS 69 -2.650 -8.607 19.618 320 H THR 70 H THR 70 -1.816 -4.630 18.265 321 HA THR 70 HA THR 70 0.036 -6.090 16.681 322 HB THR 70 HB THR 70 -1.816 -6.053 15.317 323 HG1 THR 70 HG1 THR 70 -0.341 -5.963 13.816 324 1HG2 THR 70 1HG2 THR 70 -2.503 -3.962 14.260 325 2HG2 THR 70 2HG2 THR 70 -1.469 -3.064 15.370 326 3HG2 THR 70 3HG2 THR 70 -2.854 -3.963 15.989 327 H ASP 71 H ASP 71 1.694 -4.685 15.764 328 HA ASP 71 HA ASP 71 1.605 -1.908 16.670 329 1HB ASP 71 1HB ASP 71 2.898 -3.142 18.382 330 2HB ASP 71 2HB ASP 71 3.992 -3.719 17.125 331 H SER 72 H SER 72 1.052 -1.805 14.407 332 HA SER 72 HA SER 72 3.406 -1.140 12.872 333 1HB SER 72 1HB SER 72 1.386 -3.164 11.849 334 2HB SER 72 2HB SER 72 2.645 -2.413 10.868 335 HG SER 72 HG SER 72 3.684 -3.473 13.133 336 HA PRO 73 HA PRO 73 0.387 2.047 12.184 337 1HB PRO 73 1HB PRO 73 2.427 3.422 10.637 338 2HB PRO 73 2HB PRO 73 1.748 3.850 12.208 339 1HG PRO 73 1HG PRO 73 4.308 3.001 11.889 340 2HG PRO 73 2HG PRO 73 3.371 2.715 13.368 341 1HD PRO 73 1HD PRO 73 3.927 0.849 11.086 342 2HD PRO 73 2HD PRO 73 3.939 0.525 12.835 343 H GLU 74 H GLU 74 -1.163 1.705 10.736 344 HA GLU 74 HA GLU 74 -0.619 1.047 7.971 345 1HB GLU 74 1HB GLU 74 -3.223 1.810 9.325 346 2HB GLU 74 2HB GLU 74 -3.068 1.157 7.702 347 1HG GLU 74 1HG GLU 74 -2.180 -0.924 8.630 348 2HG GLU 74 2HG GLU 74 -2.359 -0.266 10.257 349 H PHE 75 H PHE 75 0.710 3.302 8.543 350 HA PHE 75 HA PHE 75 -0.920 5.654 8.171 351 1HB PHE 75 1HB PHE 75 0.931 5.601 9.809 352 2HB PHE 75 2HB PHE 75 2.077 5.392 8.490 353 HD1 PHE 75 HD1 PHE 75 -0.432 7.724 9.899 354 HD2 PHE 75 HD2 PHE 75 2.913 7.226 7.316 355 HE1 PHE 75 HE1 PHE 75 -0.258 10.167 9.660 356 HE2 PHE 75 HE2 PHE 75 3.091 9.666 7.073 357 HZ PHE 75 HZ PHE 75 1.477 11.139 8.246 358 H TYR 76 H TYR 76 1.590 3.913 6.384 359 HA TYR 76 HA TYR 76 2.450 4.141 4.294 360 1HB TYR 76 1HB TYR 76 -0.414 4.939 3.762 361 2HB TYR 76 2HB TYR 76 0.768 4.675 2.488 362 HD1 TYR 76 HD1 TYR 76 1.555 2.421 1.973 363 HD2 TYR 76 HD2 TYR 76 -1.343 3.094 5.011 364 HE1 TYR 76 HE1 TYR 76 1.024 0.021 1.988 365 HE2 TYR 76 HE2 TYR 76 -1.881 0.694 5.039 366 HH TYR 76 HH TYR 76 0.054 -1.638 3.573 367 H GLY 77 H GLY 77 0.278 6.664 3.372 368 1HA GLY 77 1HA GLY 77 2.219 8.749 4.092 369 2HA GLY 77 2HA GLY 77 1.664 8.627 2.422 370 H LYS 78 H LYS 78 0.496 8.910 5.739 371 HA LYS 78 HA LYS 78 -1.303 9.937 6.678 372 1HB LYS 78 1HB LYS 78 -1.442 11.376 4.019 373 2HB LYS 78 2HB LYS 78 -2.476 11.744 5.388 374 1HG LYS 78 1HG LYS 78 0.526 11.956 5.402 375 2HG LYS 78 2HG LYS 78 -0.582 13.299 5.127 376 1HD LYS 78 1HD LYS 78 -1.612 12.698 7.378 377 2HD LYS 78 2HD LYS 78 -0.194 11.677 7.628 378 1HE LYS 78 1HE LYS 78 -0.190 14.651 7.115 379 2HE LYS 78 2HE LYS 78 0.117 13.863 8.660 380 1HZ LYS 78 1HZ LYS 78 1.785 13.406 6.244 381 2HZ LYS 78 2HZ LYS 78 2.135 12.961 7.849 382 3HZ LYS 78 3HZ LYS 78 2.129 14.596 7.399 383 H PHE 79 H PHE 79 -1.548 7.408 5.332 384 HA PHE 79 HA PHE 79 -3.513 7.113 3.445 385 1HB PHE 79 1HB PHE 79 -2.056 5.295 4.314 386 2HB PHE 79 2HB PHE 79 -3.052 5.227 5.763 387 HD1 PHE 79 HD1 PHE 79 -5.085 4.032 5.791 388 HD2 PHE 79 HD2 PHE 79 -3.055 4.699 2.111 389 HE1 PHE 79 HE1 PHE 79 -6.589 2.434 4.681 390 HE2 PHE 79 HE2 PHE 79 -4.556 3.101 0.989 391 HZ PHE 79 HZ PHE 79 -6.328 1.967 2.272 392 H LYS 80 H LYS 80 -3.972 7.625 6.901 393 HA LYS 80 HA LYS 80 -6.738 6.876 6.932 394 1HB LYS 80 1HB LYS 80 -5.040 8.444 8.874 395 2HB LYS 80 2HB LYS 80 -6.743 8.117 9.148 396 1HG LYS 80 1HG LYS 80 -6.254 5.696 9.081 397 2HG LYS 80 2HG LYS 80 -4.539 6.080 8.905 398 1HD LYS 80 1HD LYS 80 -4.486 7.151 11.039 399 2HD LYS 80 2HD LYS 80 -6.239 7.049 11.193 400 1HE LYS 80 1HE LYS 80 -6.050 4.580 11.222 401 2HE LYS 80 2HE LYS 80 -4.294 4.744 11.184 402 1HZ LYS 80 1HZ LYS 80 -5.193 4.414 13.443 403 2HZ LYS 80 2HZ LYS 80 -6.040 5.876 13.301 404 3HZ LYS 80 3HZ LYS 80 -4.344 5.876 13.282 405 H GLU 81 H GLU 81 -4.926 9.846 6.603 406 HA GLU 81 HA GLU 81 -7.255 11.535 6.613 407 1HB GLU 81 1HB GLU 81 -5.000 12.261 7.427 408 2HB GLU 81 2HB GLU 81 -4.413 12.156 5.775 409 1HG GLU 81 1HG GLU 81 -5.844 13.937 5.083 410 2HG GLU 81 2HG GLU 81 -6.657 13.956 6.648 411 H GLY 82 H GLY 82 -5.245 9.877 4.334 412 1HA GLY 82 1HA GLY 82 -5.955 11.088 1.958 413 2HA GLY 82 2HA GLY 82 -5.468 9.422 2.140 414 H VAL 83 H VAL 83 -7.429 8.516 3.790 415 HA VAL 83 HA VAL 83 -9.502 7.861 1.986 416 HB VAL 83 HB VAL 83 -9.328 7.722 4.852 417 1HG1 VAL 83 1HG1 VAL 83 -11.646 7.591 4.138 418 2HG1 VAL 83 2HG1 VAL 83 -11.066 5.988 4.590 419 3HG1 VAL 83 3HG1 VAL 83 -11.218 6.422 2.888 420 1HG2 VAL 83 1HG2 VAL 83 -8.717 5.752 2.662 421 2HG2 VAL 83 2HG2 VAL 83 -8.723 5.400 4.390 422 3HG2 VAL 83 3HG2 VAL 83 -7.550 6.536 3.725 423 H ALA 84 H ALA 84 -9.428 9.998 4.835 424 HA ALA 84 HA ALA 84 -12.225 10.579 4.571 425 1HB ALA 84 1HB ALA 84 -11.222 10.432 6.787 426 2HB ALA 84 2HB ALA 84 -11.901 12.038 6.517 427 3HB ALA 84 3HB ALA 84 -10.158 11.786 6.407 428 H SER 85 H SER 85 -9.241 12.028 3.612 429 HA SER 85 HA SER 85 -10.274 14.562 2.871 430 1HB SER 85 1HB SER 85 -7.814 13.861 2.951 431 2HB SER 85 2HB SER 85 -8.087 13.086 1.392 432 HG SER 85 HG SER 85 -8.554 15.832 1.969 433 H GLY 86 H GLY 86 -10.235 11.400 1.379 434 1HA GLY 86 1HA GLY 86 -11.852 10.575 -0.089 435 2HA GLY 86 2HA GLY 86 -12.409 12.221 -0.359 436 H ASN 87 H ASN 87 -9.042 11.745 -0.586 437 HA ASN 87 HA ASN 87 -8.956 11.187 -3.379 438 1HB ASN 87 1HB ASN 87 -8.019 13.489 -4.004 439 2HB ASN 87 2HB ASN 87 -9.759 13.365 -3.781 440 1HD2 ASN 87 1HD2 ASN 87 -6.769 14.511 -2.385 441 2HD2 ASN 87 2HD2 ASN 87 -7.496 15.617 -1.273 442 H LEU 88 H LEU 88 -7.629 9.902 -1.569 443 HA LEU 88 HA LEU 88 -5.065 10.819 -0.890 444 1HB LEU 88 1HB LEU 88 -6.520 8.678 -0.241 445 2HB LEU 88 2HB LEU 88 -5.479 7.945 -1.448 446 HG LEU 88 HG LEU 88 -4.551 9.473 0.930 447 1HD1 LEU 88 1HD1 LEU 88 -5.641 7.408 1.612 448 2HD1 LEU 88 2HD1 LEU 88 -3.899 7.286 1.857 449 3HD1 LEU 88 3HD1 LEU 88 -4.651 6.495 0.472 450 1HD2 LEU 88 1HD2 LEU 88 -2.964 9.509 -0.933 451 2HD2 LEU 88 2HD2 LEU 88 -2.993 7.746 -0.983 452 3HD2 LEU 88 3HD2 LEU 88 -2.342 8.578 0.429 453 H ASN 89 H ASN 89 -4.017 11.741 -2.713 454 HA ASN 89 HA ASN 89 -2.757 9.661 -4.297 455 1HB ASN 89 1HB ASN 89 -3.236 10.506 -6.411 456 2HB ASN 89 2HB ASN 89 -4.761 10.706 -5.564 457 1HD2 ASN 89 1HD2 ASN 89 -5.409 12.789 -4.938 458 2HD2 ASN 89 2HD2 ASN 89 -4.765 14.205 -5.703 459 H THR 90 H THR 90 -0.715 9.840 -3.708 460 HA THR 90 HA THR 90 0.614 12.442 -3.959 461 HB THR 90 HB THR 90 1.899 11.697 -2.033 462 HG1 THR 90 HG1 THR 90 0.170 10.677 -0.579 463 1HG2 THR 90 1HG2 THR 90 0.558 13.727 -2.148 464 2HG2 THR 90 2HG2 THR 90 0.390 12.937 -0.581 465 3HG2 THR 90 3HG2 THR 90 -0.894 12.795 -1.782 466 H MET 91 H MET 91 2.913 12.299 -4.100 467 HA MET 91 HA MET 91 4.122 9.678 -4.059 468 1HB MET 91 1HB MET 91 5.249 9.886 -6.221 469 2HB MET 91 2HB MET 91 3.508 9.783 -6.393 470 1HG MET 91 1HG MET 91 3.395 12.189 -6.776 471 2HG MET 91 2HG MET 91 5.143 12.307 -6.573 472 1HE MET 91 1HE MET 91 5.603 13.437 -8.876 473 2HE MET 91 2HE MET 91 3.856 13.534 -9.113 474 3HE MET 91 3HE MET 91 4.887 12.899 -10.397 475 H PHE 92 H PHE 92 5.762 9.850 -2.828 476 HA PHE 92 HA PHE 92 7.631 12.058 -3.062 477 1HB PHE 92 1HB PHE 92 5.966 12.882 -1.442 478 2HB PHE 92 2HB PHE 92 6.163 11.422 -0.483 479 HD1 PHE 92 HD1 PHE 92 8.050 14.352 -1.770 480 HD2 PHE 92 HD2 PHE 92 7.699 11.381 1.255 481 HE1 PHE 92 HE1 PHE 92 9.841 15.450 -0.491 482 HE2 PHE 92 HE2 PHE 92 9.483 12.477 2.544 483 HZ PHE 92 HZ PHE 92 10.524 14.530 1.706 484 H GLU 93 H GLU 93 9.699 11.452 -2.424 485 HA GLU 93 HA GLU 93 9.969 8.653 -1.623 486 1HB GLU 93 1HB GLU 93 12.116 10.626 -2.444 487 2HB GLU 93 2HB GLU 93 12.360 8.915 -2.121 488 1HG GLU 93 1HG GLU 93 10.618 8.547 -3.985 489 2HG GLU 93 2HG GLU 93 10.965 10.220 -4.418 490 H TYR 94 H TYR 94 10.188 8.155 0.422 491 HA TYR 94 HA TYR 94 10.814 10.332 2.295 492 1HB TYR 94 1HB TYR 94 8.509 9.383 2.406 493 2HB TYR 94 2HB TYR 94 9.208 7.817 2.801 494 HD1 TYR 94 HD1 TYR 94 9.831 7.290 5.013 495 HD2 TYR 94 HD2 TYR 94 8.817 11.297 4.013 496 HE1 TYR 94 HE1 TYR 94 9.812 7.874 7.398 497 HE2 TYR 94 HE2 TYR 94 8.794 11.894 6.400 498 HH TYR 94 HH TYR 94 10.123 9.945 8.784 499 H THR 95 H THR 95 12.616 10.172 3.417 500 HA THR 95 HA THR 95 14.029 7.624 3.481 501 HB THR 95 HB THR 95 15.648 9.090 4.586 502 HG1 THR 95 HG1 THR 95 14.517 10.973 4.812 503 1HG2 THR 95 1HG2 THR 95 15.917 7.991 2.436 504 2HG2 THR 95 2HG2 THR 95 16.500 9.654 2.369 505 3HG2 THR 95 3HG2 THR 95 14.937 9.240 1.667 506 H PHE 96 H PHE 96 14.819 6.725 5.369 507 HA PHE 96 HA PHE 96 13.480 7.629 7.831 508 1HB PHE 96 1HB PHE 96 14.432 4.868 7.032 509 2HB PHE 96 2HB PHE 96 13.793 5.275 8.621 510 HD1 PHE 96 HD1 PHE 96 11.452 5.558 8.978 511 HD2 PHE 96 HD2 PHE 96 12.964 4.859 5.063 512 HE1 PHE 96 HE1 PHE 96 9.169 5.095 8.183 513 HE2 PHE 96 HE2 PHE 96 10.686 4.400 4.261 514 HZ PHE 96 HZ PHE 96 8.785 4.517 5.820 515 H ASP 97 H ASP 97 14.827 8.756 9.033 516 HA ASP 97 HA ASP 97 16.627 9.392 10.244 517 1HB ASP 97 1HB ASP 97 16.457 6.945 10.964 518 2HB ASP 97 2HB ASP 97 17.757 6.620 9.824 519 H TYR 98 H TYR 98 19.352 8.871 10.013 520 HA TYR 98 HA TYR 98 20.125 9.122 7.248 521 1HB TYR 98 1HB TYR 98 21.221 11.379 7.657 522 2HB TYR 98 2HB TYR 98 19.469 11.384 7.499 523 HD1 TYR 98 HD1 TYR 98 22.255 11.605 9.915 524 HD2 TYR 98 HD2 TYR 98 18.082 12.144 9.287 525 HE1 TYR 98 HE1 TYR 98 22.085 12.758 12.075 526 HE2 TYR 98 HE2 TYR 98 17.905 13.308 11.446 527 HH TYR 98 HH TYR 98 20.675 14.303 13.239 528 H GLN 99 H GLN 99 20.687 8.017 10.219 529 HA GLN 99 HA GLN 99 23.623 8.164 9.968 530 1HB GLN 99 1HB GLN 99 22.577 9.182 12.034 531 2HB GLN 99 2HB GLN 99 22.029 7.567 12.467 532 1HG GLN 99 1HG GLN 99 24.009 7.995 13.688 533 2HG GLN 99 2HG GLN 99 24.420 6.838 12.421 534 1HE2 GLN 99 1HE2 GLN 99 24.783 10.093 13.559 535 2HE2 GLN 99 2HE2 GLN 99 26.065 10.540 12.486 536 H MET 100 H MET 100 24.184 6.369 8.882 537 HA MET 100 HA MET 100 24.559 4.178 8.408 538 1HB MET 100 1HB MET 100 23.535 3.696 11.213 539 2HB MET 100 2HB MET 100 24.430 2.542 10.236 540 1HG MET 100 1HG MET 100 26.381 3.979 10.278 541 2HG MET 100 2HG MET 100 25.484 5.197 11.181 542 1HE MET 100 1HE MET 100 24.601 4.843 13.666 543 2HE MET 100 2HE MET 100 24.856 3.366 14.594 544 3HE MET 100 3HE MET 100 23.793 3.351 13.187 545 H THR 101 H THR 101 21.815 5.455 8.124 546 HA THR 101 HA THR 101 20.294 2.961 7.787 547 HB THR 101 HB THR 101 19.218 5.513 8.553 548 HG1 THR 101 HG1 THR 101 20.598 4.631 10.197 549 1HG2 THR 101 1HG2 THR 101 18.135 2.705 8.462 550 2HG2 THR 101 2HG2 THR 101 17.668 4.045 7.414 551 3HG2 THR 101 3HG2 THR 101 17.300 4.100 9.139 552 HA PRO 102 HA PRO 102 20.031 5.156 3.809 553 1HB PRO 102 1HB PRO 102 20.602 3.084 2.238 554 2HB PRO 102 2HB PRO 102 21.869 3.886 3.176 555 1HG PRO 102 1HG PRO 102 20.506 1.285 3.672 556 2HG PRO 102 2HG PRO 102 22.186 1.752 3.981 557 1HD PRO 102 1HD PRO 102 20.090 1.688 5.862 558 2HD PRO 102 2HD PRO 102 21.686 2.431 6.085 559 H THR 103 H THR 103 17.829 3.848 5.428 560 HA THR 103 HA THR 103 16.260 2.320 3.587 561 HB THR 103 HB THR 103 15.385 3.745 5.916 562 HG1 THR 103 HG1 THR 103 16.942 1.398 5.558 563 1HG2 THR 103 1HG2 THR 103 13.864 1.820 6.033 564 2HG2 THR 103 2HG2 THR 103 14.514 1.227 4.504 565 3HG2 THR 103 3HG2 THR 103 13.636 2.757 4.557 566 H LYS 104 H LYS 104 15.764 3.441 1.780 567 HA LYS 104 HA LYS 104 14.127 5.871 2.106 568 1HB LYS 104 1HB LYS 104 16.299 6.347 1.026 569 2HB LYS 104 2HB LYS 104 15.951 5.133 -0.198 570 1HG LYS 104 1HG LYS 104 13.900 6.510 -0.775 571 2HG LYS 104 2HG LYS 104 14.597 7.779 0.233 572 1HD LYS 104 1HD LYS 104 15.861 6.522 -2.203 573 2HD LYS 104 2HD LYS 104 15.182 8.147 -2.090 574 1HE LYS 104 1HE LYS 104 16.875 8.778 -0.480 575 2HE LYS 104 2HE LYS 104 17.510 7.134 -0.461 576 1HZ LYS 104 1HZ LYS 104 18.019 7.408 -2.851 577 2HZ LYS 104 2HZ LYS 104 18.884 8.473 -1.856 578 3HZ LYS 104 3HZ LYS 104 17.553 9.036 -2.741 579 H VAL 105 H VAL 105 12.112 5.763 1.233 580 HA VAL 105 HA VAL 105 11.629 3.733 -0.817 581 HB VAL 105 HB VAL 105 9.453 3.555 -0.058 582 1HG1 VAL 105 1HG1 VAL 105 11.682 2.741 1.809 583 2HG1 VAL 105 2HG1 VAL 105 11.124 1.855 0.388 584 3HG1 VAL 105 3HG1 VAL 105 10.064 2.036 1.786 585 1HG2 VAL 105 1HG2 VAL 105 10.506 5.030 2.344 586 2HG2 VAL 105 2HG2 VAL 105 8.974 4.159 2.272 587 3HG2 VAL 105 3HG2 VAL 105 9.237 5.571 1.247 588 H LYS 106 H LYS 106 9.843 4.179 -2.192 589 HA LYS 106 HA LYS 106 9.146 7.033 -2.364 590 1HB LYS 106 1HB LYS 106 10.497 6.125 -4.293 591 2HB LYS 106 2HB LYS 106 9.167 5.025 -4.634 592 1HG LYS 106 1HG LYS 106 7.772 7.262 -4.678 593 2HG LYS 106 2HG LYS 106 9.349 7.968 -5.024 594 1HD LYS 106 1HD LYS 106 8.001 5.768 -6.585 595 2HD LYS 106 2HD LYS 106 8.140 7.454 -7.077 596 1HE LYS 106 1HE LYS 106 10.465 5.593 -6.601 597 2HE LYS 106 2HE LYS 106 9.783 5.969 -8.180 598 1HZ LYS 106 1HZ LYS 106 11.708 7.318 -7.810 599 2HZ LYS 106 2HZ LYS 106 11.120 7.871 -6.326 600 3HZ LYS 106 3HZ LYS 106 10.346 8.329 -7.766 601 H VAL 107 H VAL 107 7.032 7.464 -2.011 602 HA VAL 107 HA VAL 107 5.181 5.177 -2.177 603 HB VAL 107 HB VAL 107 3.741 6.665 -0.912 604 1HG1 VAL 107 1HG1 VAL 107 4.635 4.534 -0.164 605 2HG1 VAL 107 2HG1 VAL 107 4.756 5.719 1.136 606 3HG1 VAL 107 3HG1 VAL 107 6.188 5.283 0.203 607 1HG2 VAL 107 1HG2 VAL 107 5.155 8.665 -1.030 608 2HG2 VAL 107 2HG2 VAL 107 6.430 7.801 -0.171 609 3HG2 VAL 107 3HG2 VAL 107 4.891 8.124 0.627 610 H HIS 108 H HIS 108 4.287 5.229 -4.137 611 HA HIS 108 HA HIS 108 2.967 7.759 -4.862 612 1HB HIS 108 1HB HIS 108 4.539 6.855 -6.587 613 2HB HIS 108 2HB HIS 108 3.541 5.407 -6.684 614 HD1 HIS 108 HD1 HIS 108 2.871 5.814 -9.141 615 HD2 HIS 108 HD2 HIS 108 1.875 8.944 -6.587 616 HE1 HIS 108 HE1 HIS 108 1.334 7.306 -10.460 617 HE2 HIS 108 HE2 HIS 108 0.908 9.289 -8.957 618 H MET 109 H MET 109 1.039 7.729 -4.003 619 HA MET 109 HA MET 109 -0.582 5.277 -4.255 620 1HB MET 109 1HB MET 109 -0.630 7.411 -2.107 621 2HB MET 109 2HB MET 109 -1.825 6.128 -2.250 622 1HG MET 109 1HG MET 109 -0.191 4.453 -1.788 623 2HG MET 109 2HG MET 109 1.119 5.628 -1.885 624 1HE MET 109 1HE MET 109 1.524 7.537 -0.134 625 2HE MET 109 2HE MET 109 0.515 7.813 1.284 626 3HE MET 109 3HE MET 109 -0.132 8.114 -0.328 627 H LYS 110 H LYS 110 -2.711 5.532 -4.971 628 HA LYS 110 HA LYS 110 -3.602 8.231 -5.536 629 1HB LYS 110 1HB LYS 110 -4.027 7.767 -7.931 630 2HB LYS 110 2HB LYS 110 -2.316 7.799 -7.536 631 1HG LYS 110 1HG LYS 110 -2.240 5.373 -7.567 632 2HG LYS 110 2HG LYS 110 -3.973 5.310 -7.893 633 1HD LYS 110 1HD LYS 110 -1.912 6.599 -9.681 634 2HD LYS 110 2HD LYS 110 -2.611 4.996 -9.928 635 1HE LYS 110 1HE LYS 110 -4.821 5.976 -10.169 636 2HE LYS 110 2HE LYS 110 -4.171 7.580 -9.834 637 1HZ LYS 110 1HZ LYS 110 -2.805 7.374 -11.842 638 2HZ LYS 110 2HZ LYS 110 -4.460 7.287 -12.190 639 3HZ LYS 110 3HZ LYS 110 -3.520 5.875 -12.180 640 H LYS 111 H LYS 111 -5.677 8.365 -5.109 641 HA LYS 111 HA LYS 111 -7.317 6.306 -4.418 642 1HB LYS 111 1HB LYS 111 -7.751 8.589 -3.913 643 2HB LYS 111 2HB LYS 111 -7.841 9.008 -5.610 644 1HG LYS 111 1HG LYS 111 -9.874 7.583 -5.798 645 2HG LYS 111 2HG LYS 111 -9.818 7.367 -4.045 646 1HD LYS 111 1HD LYS 111 -10.198 9.644 -3.642 647 2HD LYS 111 2HD LYS 111 -9.819 10.087 -5.309 648 1HE LYS 111 1HE LYS 111 -11.846 8.842 -6.034 649 2HE LYS 111 2HE LYS 111 -12.237 8.562 -4.338 650 1HZ LYS 111 1HZ LYS 111 -12.471 10.900 -3.989 651 2HZ LYS 111 2HZ LYS 111 -13.411 10.478 -5.335 652 3HZ LYS 111 3HZ LYS 111 -11.917 11.251 -5.551 653 H ALA 112 H ALA 112 -7.979 4.650 -5.546 654 HA ALA 112 HA ALA 112 -7.662 4.381 -8.315 655 1HB ALA 112 1HB ALA 112 -7.648 2.465 -6.844 656 2HB ALA 112 2HB ALA 112 -8.913 2.280 -8.058 657 3HB ALA 112 3HB ALA 112 -9.333 2.746 -6.409 658 H LEU 113 H LEU 113 -9.204 4.366 -9.980 659 HA LEU 113 HA LEU 113 -11.231 6.317 -9.747 660 1HB LEU 113 1HB LEU 113 -11.775 5.838 -12.075 661 2HB LEU 113 2HB LEU 113 -10.059 6.045 -11.834 662 HG LEU 113 HG LEU 113 -10.387 4.337 -13.463 663 1HD1 LEU 113 1HD1 LEU 113 -9.304 2.393 -12.489 664 2HD1 LEU 113 2HD1 LEU 113 -9.637 3.016 -10.873 665 3HD1 LEU 113 3HD1 LEU 113 -8.557 3.900 -11.952 666 1HD2 LEU 113 1HD2 LEU 113 -12.171 2.931 -11.494 667 2HD2 LEU 113 2HD2 LEU 113 -11.641 2.280 -13.046 668 3HD2 LEU 113 3HD2 LEU 113 -12.668 3.713 -12.996 669 H SER 114 H SER 114 -11.352 3.339 -8.513 670 HA SER 114 HA SER 114 -14.079 2.702 -9.312 671 1HB SER 114 1HB SER 114 -12.297 0.932 -9.100 672 2HB SER 114 2HB SER 114 -12.300 1.222 -7.361 673 HG SER 114 HG SER 114 -14.474 0.584 -7.304 674 H GLY 115 H GLY 115 -12.854 4.866 -7.265 675 1HA GLY 115 1HA GLY 115 -14.215 6.116 -5.785 676 2HA GLY 115 2HA GLY 115 -15.214 4.692 -5.537 677 H ASP 116 H ASP 116 -14.903 3.536 -3.719 678 HA ASP 116 HA ASP 116 -12.898 4.391 -1.861 679 1HB ASP 116 1HB ASP 116 -15.005 3.692 -0.947 680 2HB ASP 116 2HB ASP 116 -14.884 2.119 -1.735 681 H SER 117 H SER 117 -11.005 4.026 -2.923 682 HA SER 117 HA SER 117 -9.638 1.693 -2.250 683 1HB SER 117 1HB SER 117 -9.150 0.973 -4.668 684 2HB SER 117 2HB SER 117 -10.662 0.449 -3.931 685 HG SER 117 HG SER 117 -11.118 2.795 -5.058 686 H TYR 118 H TYR 118 -7.413 1.862 -2.806 687 HA TYR 118 HA TYR 118 -6.525 4.263 -4.205 688 1HB TYR 118 1HB TYR 118 -5.560 3.761 -1.378 689 2HB TYR 118 2HB TYR 118 -5.259 5.171 -2.397 690 HD1 TYR 118 HD1 TYR 118 -7.553 3.549 -0.129 691 HD2 TYR 118 HD2 TYR 118 -7.001 6.821 -2.754 692 HE1 TYR 118 HE1 TYR 118 -9.463 4.696 0.930 693 HE2 TYR 118 HE2 TYR 118 -8.909 7.996 -1.720 694 HH TYR 118 HH TYR 118 -10.303 7.001 1.210 695 H TRP 119 H TRP 119 -4.551 3.947 -5.190 696 HA TRP 119 HA TRP 119 -3.495 1.257 -5.021 697 1HB TRP 119 1HB TRP 119 -2.818 3.642 -6.741 698 2HB TRP 119 2HB TRP 119 -1.982 2.080 -6.846 699 HD1 TRP 119 HD1 TRP 119 -5.647 3.417 -7.216 700 HE1 TRP 119 HE1 TRP 119 -6.751 2.035 -9.107 701 HE3 TRP 119 HE3 TRP 119 -1.781 0.267 -8.298 702 HZ2 TRP 119 HZ2 TRP 119 -6.052 -0.098 -10.821 703 HZ3 TRP 119 HZ3 TRP 119 -2.053 -1.385 -10.053 704 HH2 TRP 119 HH2 TRP 119 -4.147 -1.580 -11.310 705 H VAL 120 H VAL 120 -1.226 0.905 -4.861 706 HA VAL 120 HA VAL 120 0.281 2.889 -3.305 707 HB VAL 120 HB VAL 120 -0.037 0.092 -2.701 708 1HG1 VAL 120 1HG1 VAL 120 1.319 0.683 -0.725 709 2HG1 VAL 120 2HG1 VAL 120 1.571 2.294 -1.394 710 3HG1 VAL 120 3HG1 VAL 120 2.216 0.880 -2.230 711 1HG2 VAL 120 1HG2 VAL 120 -2.012 1.343 -2.089 712 2HG2 VAL 120 2HG2 VAL 120 -1.019 2.554 -1.279 713 3HG2 VAL 120 3HG2 VAL 120 -1.088 0.907 -0.653 714 H PHE 121 H PHE 121 1.889 3.241 -4.783 715 HA PHE 121 HA PHE 121 3.339 0.868 -5.769 716 1HB PHE 121 1HB PHE 121 3.475 3.707 -6.795 717 2HB PHE 121 2HB PHE 121 4.259 2.307 -7.504 718 HD1 PHE 121 HD1 PHE 121 1.298 4.314 -7.396 719 HD2 PHE 121 HD2 PHE 121 2.815 0.494 -8.500 720 HE1 PHE 121 HE1 PHE 121 -0.653 3.966 -8.855 721 HE2 PHE 121 HE2 PHE 121 0.867 0.139 -9.959 722 HZ PHE 121 HZ PHE 121 -0.869 1.876 -10.141 723 H VAL 122 H VAL 122 5.147 0.459 -4.644 724 HA VAL 122 HA VAL 122 6.520 2.751 -3.419 725 HB VAL 122 HB VAL 122 7.441 1.253 -1.913 726 1HG1 VAL 122 1HG1 VAL 122 5.582 2.726 -1.366 727 2HG1 VAL 122 2HG1 VAL 122 5.401 1.171 -0.553 728 3HG1 VAL 122 3HG1 VAL 122 4.440 1.534 -1.986 729 1HG2 VAL 122 1HG2 VAL 122 5.389 -0.634 -3.032 730 2HG2 VAL 122 2HG2 VAL 122 6.282 -0.866 -1.529 731 3HG2 VAL 122 3HG2 VAL 122 7.138 -0.844 -3.070 732 H LYS 123 H LYS 123 8.763 2.672 -3.262 733 HA LYS 123 HA LYS 123 10.193 0.717 -4.845 734 1HB LYS 123 1HB LYS 123 9.554 2.541 -6.416 735 2HB LYS 123 2HB LYS 123 10.403 3.685 -5.391 736 1HG LYS 123 1HG LYS 123 11.875 1.335 -6.494 737 2HG LYS 123 2HG LYS 123 11.534 2.717 -7.533 738 1HD LYS 123 1HD LYS 123 13.069 2.749 -4.931 739 2HD LYS 123 2HD LYS 123 13.737 2.949 -6.553 740 1HE LYS 123 1HE LYS 123 12.215 4.957 -6.783 741 2HE LYS 123 2HE LYS 123 11.913 4.814 -5.054 742 1HZ LYS 123 1HZ LYS 123 13.620 6.386 -5.320 743 2HZ LYS 123 2HZ LYS 123 14.477 5.413 -6.410 744 3HZ LYS 123 3HZ LYS 123 14.399 4.974 -4.775 745 H ARG 124 H ARG 124 11.618 0.011 -3.432 746 HA ARG 124 HA ARG 124 12.591 1.748 -1.323 747 1HB ARG 124 1HB ARG 124 13.451 -1.096 -1.860 748 2HB ARG 124 2HB ARG 124 13.491 -0.221 -0.336 749 1HG ARG 124 1HG ARG 124 11.093 -0.277 -0.180 750 2HG ARG 124 2HG ARG 124 10.971 -1.003 -1.784 751 1HD ARG 124 1HD ARG 124 12.403 -2.893 -0.844 752 2HD ARG 124 2HD ARG 124 12.045 -2.216 0.744 753 HE ARG 124 HE ARG 124 9.738 -2.748 -0.917 754 1HH1 ARG 124 1HH1 ARG 124 11.882 -3.900 1.583 755 2HH1 ARG 124 2HH1 ARG 124 10.809 -5.163 2.114 756 1HH2 ARG 124 1HH2 ARG 124 8.313 -4.434 -0.254 757 2HH2 ARG 124 2HH2 ARG 124 8.784 -5.474 1.058 758 H VAL 125 H VAL 125 14.411 2.809 -1.373 759 HA VAL 125 HA VAL 125 16.427 3.626 -1.930 760 HB VAL 125 HB VAL 125 16.909 1.023 -3.042 761 1HG1 VAL 125 1HG1 VAL 125 18.706 3.213 -2.001 762 2HG1 VAL 125 2HG1 VAL 125 18.503 2.771 -3.697 763 3HG1 VAL 125 3HG1 VAL 125 19.227 1.627 -2.567 764 1HG2 VAL 125 1HG2 VAL 125 17.214 2.087 -0.243 765 2HG2 VAL 125 2HG2 VAL 125 17.869 0.560 -0.832 766 3HG2 VAL 125 3HG2 VAL 125 16.123 0.804 -0.771 767 H2 HC4 169 H2 HC4 169 -0.889 -9.845 19.495 768 H3 HC4 169 H3 HC4 169 -0.012 -10.885 17.810 769 H2' HC4 169 H2' HC4 169 1.343 -11.288 15.864 770 H3' HC4 169 H3' HC4 169 3.019 -10.654 14.188 771 H5' HC4 169 H5' HC4 169 3.229 -6.756 15.892 772 H6' HC4 169 H6' HC4 169 1.594 -7.419 17.592 773 'HO4 HC4 169 'HO4 HC4 169 3.840 -8.569 13.115 Start of MODEL 3 1 H LEU 26 H LEU 26 10.043 -7.765 -14.239 2 HA LEU 26 HA LEU 26 9.970 -8.729 -12.149 3 1HB LEU 26 1HB LEU 26 12.109 -8.732 -10.730 4 2HB LEU 26 2HB LEU 26 11.926 -9.959 -11.966 5 HG LEU 26 HG LEU 26 13.379 -8.524 -13.459 6 1HD1 LEU 26 1HD1 LEU 26 13.136 -6.400 -12.299 7 2HD1 LEU 26 2HD1 LEU 26 14.831 -6.885 -12.369 8 3HD1 LEU 26 3HD1 LEU 26 13.920 -7.077 -10.872 9 1HD2 LEU 26 1HD2 LEU 26 14.561 -9.571 -10.895 10 2HD2 LEU 26 2HD2 LEU 26 15.454 -9.250 -12.380 11 3HD2 LEU 26 3HD2 LEU 26 14.221 -10.511 -12.347 12 H ALA 27 H ALA 27 9.815 -6.060 -13.330 13 HA ALA 27 HA ALA 27 10.675 -4.313 -11.166 14 1HB ALA 27 1HB ALA 27 9.866 -2.477 -12.585 15 2HB ALA 27 2HB ALA 27 9.277 -3.652 -13.761 16 3HB ALA 27 3HB ALA 27 11.006 -3.514 -13.442 17 H PHE 28 H PHE 28 9.371 -4.874 -9.456 18 HA PHE 28 HA PHE 28 6.475 -4.653 -9.848 19 1HB PHE 28 1HB PHE 28 6.357 -5.742 -7.567 20 2HB PHE 28 2HB PHE 28 7.023 -6.737 -8.853 21 HD1 PHE 28 HD1 PHE 28 9.289 -7.479 -8.806 22 HD2 PHE 28 HD2 PHE 28 7.815 -4.845 -5.805 23 HE1 PHE 28 HE1 PHE 28 11.281 -7.930 -7.437 24 HE2 PHE 28 HE2 PHE 28 9.808 -5.289 -4.434 25 HZ PHE 28 HZ PHE 28 11.545 -6.833 -5.248 26 H GLY 29 H GLY 29 5.629 -4.061 -7.316 27 1HA GLY 29 1HA GLY 29 5.921 -2.350 -5.623 28 2HA GLY 29 2HA GLY 29 6.830 -1.413 -6.798 29 H ALA 30 H ALA 30 3.785 -3.091 -7.342 30 HA ALA 30 HA ALA 30 2.349 -0.552 -7.333 31 1HB ALA 30 1HB ALA 30 3.158 -0.849 -9.639 32 2HB ALA 30 2HB ALA 30 1.400 -0.938 -9.539 33 3HB ALA 30 3HB ALA 30 2.349 -2.415 -9.710 34 H ILE 31 H ILE 31 0.858 -1.042 -5.803 35 HA ILE 31 HA ILE 31 -0.811 -3.390 -6.325 36 HB ILE 31 HB ILE 31 0.615 -3.950 -4.744 37 1HG1 ILE 31 1HG1 ILE 31 -2.173 -3.481 -3.780 38 2HG1 ILE 31 2HG1 ILE 31 -1.511 -4.899 -4.588 39 1HG2 ILE 31 1HG2 ILE 31 1.271 -1.800 -3.843 40 2HG2 ILE 31 2HG2 ILE 31 0.672 -2.834 -2.547 41 3HG2 ILE 31 3HG2 ILE 31 -0.353 -1.556 -3.200 42 1HD1 ILE 31 1HD1 ILE 31 -1.827 -5.295 -2.211 43 2HD1 ILE 31 2HD1 ILE 31 -0.750 -3.948 -1.841 44 3HD1 ILE 31 3HD1 ILE 31 -0.122 -5.379 -2.657 45 H GLN 32 H GLN 32 -2.925 -3.161 -5.988 46 HA GLN 32 HA GLN 32 -3.824 -0.520 -5.082 47 1HB GLN 32 1HB GLN 32 -5.909 -0.962 -6.337 48 2HB GLN 32 2HB GLN 32 -4.483 -0.878 -7.352 49 1HG GLN 32 1HG GLN 32 -4.447 -3.230 -7.640 50 2HG GLN 32 2HG GLN 32 -5.716 -3.458 -6.441 51 1HE2 GLN 32 1HE2 GLN 32 -7.296 -1.189 -7.460 52 2HE2 GLN 32 2HE2 GLN 32 -7.984 -1.740 -8.938 53 H LEU 33 H LEU 33 -4.981 -0.354 -3.331 54 HA LEU 33 HA LEU 33 -6.346 -2.767 -2.313 55 1HB LEU 33 1HB LEU 33 -5.776 -2.044 -0.015 56 2HB LEU 33 2HB LEU 33 -4.403 -2.561 -0.961 57 HG LEU 33 HG LEU 33 -4.017 -0.038 -1.398 58 1HD1 LEU 33 1HD1 LEU 33 -5.766 0.099 1.053 59 2HD1 LEU 33 2HD1 LEU 33 -6.112 0.801 -0.527 60 3HD1 LEU 33 3HD1 LEU 33 -4.769 1.416 0.436 61 1HD2 LEU 33 1HD2 LEU 33 -3.566 -1.252 1.324 62 2HD2 LEU 33 2HD2 LEU 33 -2.717 0.149 0.672 63 3HD2 LEU 33 3HD2 LEU 33 -2.525 -1.431 -0.089 64 H ASP 34 H ASP 34 -8.127 -2.294 -0.854 65 HA ASP 34 HA ASP 34 -9.608 -0.050 -1.972 66 1HB ASP 34 1HB ASP 34 -11.592 -0.966 -0.983 67 2HB ASP 34 2HB ASP 34 -10.711 -2.260 -1.774 68 H GLY 35 H GLY 35 -10.983 1.271 -0.584 69 1HA GLY 35 1HA GLY 35 -9.349 2.585 1.394 70 2HA GLY 35 2HA GLY 35 -10.954 3.074 0.871 71 H ASP 36 H ASP 36 -10.519 -0.169 1.870 72 HA ASP 36 HA ASP 36 -11.957 0.407 4.372 73 1HB ASP 36 1HB ASP 36 -12.151 -1.749 2.332 74 2HB ASP 36 2HB ASP 36 -12.442 -2.198 4.015 75 H GLY 37 H GLY 37 -9.218 -1.117 2.889 76 1HA GLY 37 1HA GLY 37 -7.239 -1.267 4.385 77 2HA GLY 37 2HA GLY 37 -8.316 -2.015 5.558 78 H ASN 38 H ASN 38 -9.018 -2.911 2.377 79 HA ASN 38 HA ASN 38 -7.710 -5.515 2.826 80 1HB ASN 38 1HB ASN 38 -10.154 -4.865 1.155 81 2HB ASN 38 2HB ASN 38 -9.456 -6.466 1.370 82 1HD2 ASN 38 1HD2 ASN 38 -11.369 -3.965 2.761 83 2HD2 ASN 38 2HD2 ASN 38 -11.888 -4.846 4.159 84 H ILE 39 H ILE 39 -6.524 -6.449 1.193 85 HA ILE 39 HA ILE 39 -5.569 -4.674 -0.868 86 HB ILE 39 HB ILE 39 -5.130 -7.472 -0.347 87 1HG1 ILE 39 1HG1 ILE 39 -4.416 -6.116 1.513 88 2HG1 ILE 39 2HG1 ILE 39 -3.017 -6.673 0.611 89 1HG2 ILE 39 1HG2 ILE 39 -3.142 -7.135 -1.760 90 2HG2 ILE 39 2HG2 ILE 39 -3.691 -5.500 -2.125 91 3HG2 ILE 39 3HG2 ILE 39 -4.638 -6.887 -2.663 92 1HD1 ILE 39 1HD1 ILE 39 -2.814 -4.489 -0.441 93 2HD1 ILE 39 2HD1 ILE 39 -2.755 -4.369 1.317 94 3HD1 ILE 39 3HD1 ILE 39 -4.225 -3.923 0.450 95 H LEU 40 H LEU 40 -5.978 -4.841 -3.049 96 HA LEU 40 HA LEU 40 -8.300 -6.519 -3.715 97 1HB LEU 40 1HB LEU 40 -8.605 -4.064 -3.874 98 2HB LEU 40 2HB LEU 40 -7.331 -4.004 -5.077 99 HG LEU 40 HG LEU 40 -8.693 -5.394 -6.588 100 1HD1 LEU 40 1HD1 LEU 40 -11.045 -5.815 -6.052 101 2HD1 LEU 40 2HD1 LEU 40 -10.792 -5.156 -4.435 102 3HD1 LEU 40 3HD1 LEU 40 -9.961 -6.632 -4.927 103 1HD2 LEU 40 1HD2 LEU 40 -8.815 -2.967 -6.747 104 2HD2 LEU 40 2HD2 LEU 40 -10.106 -2.940 -5.548 105 3HD2 LEU 40 3HD2 LEU 40 -10.377 -3.698 -7.116 106 H GLN 41 H GLN 41 -5.286 -5.252 -5.151 107 HA GLN 41 HA GLN 41 -4.763 -7.753 -6.465 108 1HB GLN 41 1HB GLN 41 -6.506 -6.849 -7.955 109 2HB GLN 41 2HB GLN 41 -5.553 -5.390 -8.184 110 1HG GLN 41 1HG GLN 41 -5.328 -6.862 -10.089 111 2HG GLN 41 2HG GLN 41 -3.786 -6.704 -9.247 112 1HE2 GLN 41 1HE2 GLN 41 -2.985 -8.624 -10.056 113 2HE2 GLN 41 2HE2 GLN 41 -3.579 -10.177 -9.561 114 H TYR 42 H TYR 42 -2.693 -7.900 -7.297 115 HA TYR 42 HA TYR 42 -0.975 -5.547 -6.846 116 1HB TYR 42 1HB TYR 42 -0.580 -7.550 -5.343 117 2HB TYR 42 2HB TYR 42 -0.087 -8.439 -6.782 118 HD1 TYR 42 HD1 TYR 42 2.114 -8.255 -7.605 119 HD2 TYR 42 HD2 TYR 42 0.701 -5.463 -4.729 120 HE1 TYR 42 HE1 TYR 42 4.389 -7.345 -7.382 121 HE2 TYR 42 HE2 TYR 42 2.971 -4.546 -4.492 122 HH TYR 42 HH TYR 42 5.310 -5.297 -4.864 123 H ASN 43 H ASN 43 0.707 -5.162 -8.319 124 HA ASN 43 HA ASN 43 0.473 -6.549 -10.910 125 1HB ASN 43 1HB ASN 43 0.789 -3.564 -10.501 126 2HB ASN 43 2HB ASN 43 0.778 -4.389 -12.054 127 1HD2 ASN 43 1HD2 ASN 43 -1.125 -3.368 -9.339 128 2HD2 ASN 43 2HD2 ASN 43 -2.666 -3.564 -10.096 129 H ALA 44 H ALA 44 2.356 -7.105 -11.825 130 HA ALA 44 HA ALA 44 4.833 -5.811 -10.935 131 1HB ALA 44 1HB ALA 44 4.589 -7.819 -9.546 132 2HB ALA 44 2HB ALA 44 5.956 -7.961 -10.651 133 3HB ALA 44 3HB ALA 44 4.448 -8.808 -11.001 134 H ALA 45 H ALA 45 6.570 -6.012 -12.458 135 HA ALA 45 HA ALA 45 5.608 -6.448 -15.173 136 1HB ALA 45 1HB ALA 45 7.661 -5.369 -15.898 137 2HB ALA 45 2HB ALA 45 8.253 -5.344 -14.239 138 3HB ALA 45 3HB ALA 45 6.842 -4.386 -14.686 139 H GLU 46 H GLU 46 5.496 -8.616 -15.386 140 HA GLU 46 HA GLU 46 6.150 -10.687 -15.971 141 1HB GLU 46 1HB GLU 46 7.890 -9.403 -17.303 142 2HB GLU 46 2HB GLU 46 9.012 -9.751 -15.992 143 1HG GLU 46 1HG GLU 46 9.285 -11.352 -17.779 144 2HG GLU 46 2HG GLU 46 8.660 -12.151 -16.335 145 H GLY 47 H GLY 47 5.709 -11.974 -14.351 146 1HA GLY 47 1HA GLY 47 7.135 -13.516 -12.866 147 2HA GLY 47 2HA GLY 47 7.491 -12.020 -12.011 148 H ASP 48 H ASP 48 4.430 -12.930 -13.476 149 HA ASP 48 HA ASP 48 3.008 -12.198 -11.090 150 1HB ASP 48 1HB ASP 48 1.999 -13.489 -13.638 151 2HB ASP 48 2HB ASP 48 0.991 -12.792 -12.377 152 H ILE 49 H ILE 49 3.373 -13.554 -9.440 153 HA ILE 49 HA ILE 49 3.749 -15.492 -8.282 154 HB ILE 49 HB ILE 49 1.842 -16.786 -8.083 155 1HG1 ILE 49 1HG1 ILE 49 0.659 -14.820 -10.046 156 2HG1 ILE 49 2HG1 ILE 49 0.909 -16.535 -10.349 157 1HG2 ILE 49 1HG2 ILE 49 2.351 -14.873 -6.701 158 2HG2 ILE 49 2HG2 ILE 49 0.619 -14.935 -7.029 159 3HG2 ILE 49 3HG2 ILE 49 1.640 -13.787 -7.895 160 1HD1 ILE 49 1HD1 ILE 49 -1.406 -16.053 -9.788 161 2HD1 ILE 49 2HD1 ILE 49 -0.897 -15.370 -8.244 162 3HD1 ILE 49 3HD1 ILE 49 -0.656 -17.086 -8.571 163 H THR 50 H THR 50 5.125 -15.908 -10.479 164 HA THR 50 HA THR 50 4.330 -18.457 -11.652 165 HB THR 50 HB THR 50 6.709 -16.922 -12.115 166 HG1 THR 50 HG1 THR 50 4.127 -16.237 -12.489 167 1HG2 THR 50 1HG2 THR 50 5.110 -18.901 -13.730 168 2HG2 THR 50 2HG2 THR 50 6.691 -19.188 -13.004 169 3HG2 THR 50 3HG2 THR 50 6.519 -18.007 -14.302 170 H GLY 51 H GLY 51 4.621 -19.758 -9.785 171 1HA GLY 51 1HA GLY 51 6.454 -21.485 -9.433 172 2HA GLY 51 2HA GLY 51 7.432 -20.106 -8.948 173 H ARG 52 H ARG 52 6.703 -18.862 -7.094 174 HA ARG 52 HA ARG 52 4.878 -20.223 -5.266 175 1HB ARG 52 1HB ARG 52 7.645 -19.385 -4.383 176 2HB ARG 52 2HB ARG 52 6.463 -20.311 -3.469 177 1HG ARG 52 1HG ARG 52 6.768 -22.214 -4.894 178 2HG ARG 52 2HG ARG 52 7.813 -21.292 -5.975 179 1HD ARG 52 1HD ARG 52 9.171 -20.936 -3.719 180 2HD ARG 52 2HD ARG 52 8.378 -22.458 -3.306 181 HE ARG 52 HE ARG 52 10.145 -22.049 -5.642 182 1HH1 ARG 52 1HH1 ARG 52 8.722 -24.150 -3.212 183 2HH1 ARG 52 2HH1 ARG 52 9.641 -25.542 -3.712 184 1HH2 ARG 52 1HH2 ARG 52 11.346 -23.861 -6.273 185 2HH2 ARG 52 2HH2 ARG 52 11.161 -25.373 -5.432 186 H ASP 53 H ASP 53 4.154 -18.789 -3.541 187 HA ASP 53 HA ASP 53 4.664 -15.964 -4.171 188 1HB ASP 53 1HB ASP 53 2.615 -15.423 -2.931 189 2HB ASP 53 2HB ASP 53 2.299 -16.546 -4.245 190 HA PRO 54 HA PRO 54 7.120 -16.165 -0.432 191 1HB PRO 54 1HB PRO 54 8.594 -13.976 -0.944 192 2HB PRO 54 2HB PRO 54 8.882 -15.513 -1.767 193 1HG PRO 54 1HG PRO 54 7.453 -13.078 -2.746 194 2HG PRO 54 2HG PRO 54 8.561 -14.153 -3.616 195 1HD PRO 54 1HD PRO 54 5.817 -14.264 -3.806 196 2HD PRO 54 2HD PRO 54 6.898 -15.632 -4.136 197 H LYS 55 H LYS 55 5.275 -13.464 -1.672 198 HA LYS 55 HA LYS 55 4.860 -12.508 1.077 199 1HB LYS 55 1HB LYS 55 5.100 -10.777 -1.396 200 2HB LYS 55 2HB LYS 55 4.764 -10.208 0.232 201 1HG LYS 55 1HG LYS 55 6.965 -10.984 0.958 202 2HG LYS 55 2HG LYS 55 7.303 -11.542 -0.682 203 1HD LYS 55 1HD LYS 55 7.057 -9.248 -1.506 204 2HD LYS 55 2HD LYS 55 6.729 -8.694 0.137 205 1HE LYS 55 1HE LYS 55 9.282 -9.968 -0.843 206 2HE LYS 55 2HE LYS 55 9.044 -8.259 -0.483 207 1HZ LYS 55 1HZ LYS 55 10.109 -9.229 1.371 208 2HZ LYS 55 2HZ LYS 55 9.024 -10.532 1.426 209 3HZ LYS 55 3HZ LYS 55 8.496 -8.972 1.838 210 H GLN 56 H GLN 56 2.804 -12.879 1.580 211 HA GLN 56 HA GLN 56 0.816 -12.804 -0.585 212 1HB GLN 56 1HB GLN 56 1.160 -14.962 0.731 213 2HB GLN 56 2HB GLN 56 0.456 -14.120 2.107 214 1HG GLN 56 1HG GLN 56 -1.600 -13.760 0.854 215 2HG GLN 56 2HG GLN 56 -0.894 -14.562 -0.547 216 1HE2 GLN 56 1HE2 GLN 56 -0.606 -16.786 -0.513 217 2HE2 GLN 56 2HE2 GLN 56 -1.444 -17.800 0.613 218 H VAL 57 H VAL 57 1.727 -10.447 0.518 219 HA VAL 57 HA VAL 57 -0.049 -9.343 2.399 220 HB VAL 57 HB VAL 57 0.346 -7.296 1.392 221 1HG1 VAL 57 1HG1 VAL 57 2.696 -7.273 2.027 222 2HG1 VAL 57 2HG1 VAL 57 2.753 -9.031 1.931 223 3HG1 VAL 57 3HG1 VAL 57 1.752 -8.248 3.152 224 1HG2 VAL 57 1HG2 VAL 57 2.123 -8.808 -0.511 225 2HG2 VAL 57 2HG2 VAL 57 1.965 -7.062 -0.364 226 3HG2 VAL 57 3HG2 VAL 57 0.608 -8.021 -0.945 227 H ILE 58 H ILE 58 -0.299 -9.843 -1.063 228 HA ILE 58 HA ILE 58 -2.872 -8.624 -1.307 229 HB ILE 58 HB ILE 58 -1.423 -8.852 -3.049 230 1HG1 ILE 58 1HG1 ILE 58 -4.029 -10.339 -3.335 231 2HG1 ILE 58 2HG1 ILE 58 -3.796 -8.600 -3.471 232 1HG2 ILE 58 1HG2 ILE 58 -1.900 -11.810 -2.730 233 2HG2 ILE 58 2HG2 ILE 58 -0.361 -10.962 -2.580 234 3HG2 ILE 58 3HG2 ILE 58 -1.167 -11.061 -4.145 235 1HD1 ILE 58 1HD1 ILE 58 -4.028 -9.637 -5.653 236 2HD1 ILE 58 2HD1 ILE 58 -2.649 -10.685 -5.316 237 3HD1 ILE 58 3HD1 ILE 58 -2.421 -8.942 -5.456 238 H GLY 59 H GLY 59 -4.874 -9.658 -1.490 239 1HA GLY 59 1HA GLY 59 -6.294 -11.570 -1.327 240 2HA GLY 59 2HA GLY 59 -4.977 -12.436 -0.547 241 H LYS 60 H LYS 60 -4.888 -9.489 0.810 242 HA LYS 60 HA LYS 60 -6.063 -10.328 3.252 243 1HB LYS 60 1HB LYS 60 -4.255 -8.785 3.393 244 2HB LYS 60 2HB LYS 60 -5.021 -7.673 2.263 245 1HG LYS 60 1HG LYS 60 -5.078 -6.845 4.569 246 2HG LYS 60 2HG LYS 60 -6.694 -7.090 3.912 247 1HD LYS 60 1HD LYS 60 -6.920 -8.009 6.011 248 2HD LYS 60 2HD LYS 60 -6.487 -9.431 5.061 249 1HE LYS 60 1HE LYS 60 -5.187 -9.495 7.051 250 2HE LYS 60 2HE LYS 60 -4.102 -9.040 5.738 251 1HZ LYS 60 1HZ LYS 60 -5.384 -7.048 7.532 252 2HZ LYS 60 2HZ LYS 60 -4.091 -6.804 6.455 253 3HZ LYS 60 3HZ LYS 60 -3.871 -7.737 7.852 254 H ASN 61 H ASN 61 -8.175 -10.882 2.767 255 HA ASN 61 HA ASN 61 -9.973 -8.549 2.588 256 1HB ASN 61 1HB ASN 61 -10.210 -11.251 1.300 257 2HB ASN 61 2HB ASN 61 -11.663 -10.357 1.722 258 1HD2 ASN 61 1HD2 ASN 61 -8.745 -8.744 0.685 259 2HD2 ASN 61 2HD2 ASN 61 -9.339 -8.245 -0.859 260 H PHE 62 H PHE 62 -10.316 -8.275 4.720 261 HA PHE 62 HA PHE 62 -11.675 -10.395 6.177 262 1HB PHE 62 1HB PHE 62 -9.023 -9.227 7.018 263 2HB PHE 62 2HB PHE 62 -10.121 -9.972 8.173 264 HD1 PHE 62 HD1 PHE 62 -10.695 -12.402 7.889 265 HD2 PHE 62 HD2 PHE 62 -7.593 -10.508 5.676 266 HE1 PHE 62 HE1 PHE 62 -9.716 -14.601 7.383 267 HE2 PHE 62 HE2 PHE 62 -6.615 -12.703 5.162 268 HZ PHE 62 HZ PHE 62 -7.676 -14.754 6.014 269 H PHE 63 H PHE 63 -13.266 -9.558 7.361 270 HA PHE 63 HA PHE 63 -13.281 -6.657 7.792 271 1HB PHE 63 1HB PHE 63 -15.475 -8.730 7.879 272 2HB PHE 63 2HB PHE 63 -15.709 -7.074 8.427 273 HD1 PHE 63 HD1 PHE 63 -15.976 -5.287 6.878 274 HD2 PHE 63 HD2 PHE 63 -14.997 -9.195 5.507 275 HE1 PHE 63 HE1 PHE 63 -16.479 -4.599 4.571 276 HE2 PHE 63 HE2 PHE 63 -15.502 -8.513 3.197 277 HZ PHE 63 HZ PHE 63 -16.232 -6.188 2.731 278 H LYS 64 H LYS 64 -12.231 -9.274 9.342 279 HA LYS 64 HA LYS 64 -13.132 -8.485 12.012 280 1HB LYS 64 1HB LYS 64 -11.315 -10.769 11.213 281 2HB LYS 64 2HB LYS 64 -12.032 -10.505 12.795 282 1HG LYS 64 1HG LYS 64 -13.476 -11.215 10.254 283 2HG LYS 64 2HG LYS 64 -13.218 -12.250 11.658 284 1HD LYS 64 1HD LYS 64 -14.510 -10.514 12.987 285 2HD LYS 64 2HD LYS 64 -14.968 -9.815 11.433 286 1HE LYS 64 1HE LYS 64 -15.547 -12.603 12.422 287 2HE LYS 64 2HE LYS 64 -16.710 -11.303 12.170 288 1HZ LYS 64 1HZ LYS 64 -16.693 -12.964 10.375 289 2HZ LYS 64 2HZ LYS 64 -15.093 -12.552 10.014 290 3HZ LYS 64 3HZ LYS 64 -16.324 -11.407 9.814 291 H ASP 65 H ASP 65 -10.616 -7.914 9.848 292 HA ASP 65 HA ASP 65 -8.398 -7.868 11.634 293 1HB ASP 65 1HB ASP 65 -8.429 -8.107 9.055 294 2HB ASP 65 2HB ASP 65 -8.541 -6.351 9.040 295 H VAL 66 H VAL 66 -8.158 -6.437 13.219 296 HA VAL 66 HA VAL 66 -8.944 -3.650 12.761 297 HB VAL 66 HB VAL 66 -10.669 -4.765 13.709 298 1HG1 VAL 66 1HG1 VAL 66 -8.765 -5.371 15.964 299 2HG1 VAL 66 2HG1 VAL 66 -9.534 -6.540 14.891 300 3HG1 VAL 66 3HG1 VAL 66 -10.515 -5.597 16.012 301 1HG2 VAL 66 1HG2 VAL 66 -10.365 -2.435 14.172 302 2HG2 VAL 66 2HG2 VAL 66 -9.272 -2.806 15.505 303 3HG2 VAL 66 3HG2 VAL 66 -10.975 -3.254 15.610 304 H ALA 67 H ALA 67 -6.947 -5.965 14.410 305 HA ALA 67 HA ALA 67 -5.959 -4.839 16.624 306 1HB ALA 67 1HB ALA 67 -3.892 -6.030 16.272 307 2HB ALA 67 2HB ALA 67 -4.234 -6.168 14.547 308 3HB ALA 67 3HB ALA 67 -5.254 -7.005 15.718 309 HA PRO 68 HA PRO 68 -3.906 -1.039 15.244 310 1HB PRO 68 1HB PRO 68 -3.966 -0.387 18.084 311 2HB PRO 68 2HB PRO 68 -4.738 0.456 16.739 312 1HG PRO 68 1HG PRO 68 -6.137 -0.905 18.625 313 2HG PRO 68 2HG PRO 68 -6.695 -0.730 16.951 314 1HD PRO 68 1HD PRO 68 -5.339 -3.057 18.266 315 2HD PRO 68 2HD PRO 68 -6.700 -3.045 17.123 316 H CYS 69 H CYS 69 -3.286 -3.195 17.954 317 HA CYS 69 HA CYS 69 -1.407 -4.035 18.893 318 1HB CYS 69 1HB CYS 69 -0.109 -3.085 16.336 319 2HB CYS 69 2HB CYS 69 0.623 -4.187 17.496 320 H THR 70 H THR 70 0.986 -3.435 19.487 321 HA THR 70 HA THR 70 1.074 -0.726 20.450 322 HB THR 70 HB THR 70 3.344 -1.373 20.921 323 HG1 THR 70 HG1 THR 70 3.927 -3.310 20.316 324 1HG2 THR 70 1HG2 THR 70 1.570 -1.246 22.562 325 2HG2 THR 70 2HG2 THR 70 2.563 -2.677 22.843 326 3HG2 THR 70 3HG2 THR 70 0.981 -2.836 22.078 327 H ASP 71 H ASP 71 2.856 -2.673 18.075 328 HA ASP 71 HA ASP 71 4.082 -0.382 16.844 329 1HB ASP 71 1HB ASP 71 3.839 -3.271 15.980 330 2HB ASP 71 2HB ASP 71 4.697 -2.047 15.050 331 H SER 72 H SER 72 2.880 1.019 15.749 332 HA SER 72 HA SER 72 0.236 0.414 14.879 333 1HB SER 72 1HB SER 72 0.885 2.660 15.646 334 2HB SER 72 2HB SER 72 1.975 2.822 14.272 335 HG SER 72 HG SER 72 0.018 2.480 12.954 336 HA PRO 73 HA PRO 73 0.965 -1.283 10.823 337 1HB PRO 73 1HB PRO 73 -1.590 0.089 10.173 338 2HB PRO 73 2HB PRO 73 -1.143 -1.610 9.978 339 1HG PRO 73 1HG PRO 73 -2.799 -0.849 11.922 340 2HG PRO 73 2HG PRO 73 -1.592 -2.121 12.193 341 1HD PRO 73 1HD PRO 73 -1.563 0.739 13.062 342 2HD PRO 73 2HD PRO 73 -1.001 -0.709 13.922 343 H GLU 74 H GLU 74 1.213 -0.566 8.600 344 HA GLU 74 HA GLU 74 2.631 1.888 8.486 345 1HB GLU 74 1HB GLU 74 1.751 0.050 6.252 346 2HB GLU 74 2HB GLU 74 2.914 1.359 6.088 347 1HG GLU 74 1HG GLU 74 4.405 0.233 7.663 348 2HG GLU 74 2HG GLU 74 3.233 -1.071 7.837 349 H PHE 75 H PHE 75 1.912 3.865 8.116 350 HA PHE 75 HA PHE 75 -0.834 4.280 7.298 351 1HB PHE 75 1HB PHE 75 -0.466 6.623 7.797 352 2HB PHE 75 2HB PHE 75 0.169 5.640 9.108 353 HD1 PHE 75 HD1 PHE 75 2.632 5.357 9.344 354 HD2 PHE 75 HD2 PHE 75 0.916 8.064 6.549 355 HE1 PHE 75 HE1 PHE 75 4.787 6.534 9.169 356 HE2 PHE 75 HE2 PHE 75 3.064 9.245 6.363 357 HZ PHE 75 HZ PHE 75 5.005 8.480 7.673 358 H TYR 76 H TYR 76 1.957 3.756 5.674 359 HA TYR 76 HA TYR 76 2.724 4.082 3.568 360 1HB TYR 76 1HB TYR 76 -0.206 4.523 2.966 361 2HB TYR 76 2HB TYR 76 1.040 4.155 1.780 362 HD1 TYR 76 HD1 TYR 76 2.372 1.925 2.230 363 HD2 TYR 76 HD2 TYR 76 -1.475 2.795 3.828 364 HE1 TYR 76 HE1 TYR 76 1.960 -0.479 2.538 365 HE2 TYR 76 HE2 TYR 76 -1.894 0.393 4.144 366 HH TYR 76 HH TYR 76 -1.117 -1.745 3.240 367 H GLY 77 H GLY 77 0.268 6.196 2.434 368 1HA GLY 77 1HA GLY 77 2.150 8.454 2.717 369 2HA GLY 77 2HA GLY 77 1.077 8.226 1.340 370 H LYS 78 H LYS 78 0.834 8.347 4.874 371 HA LYS 78 HA LYS 78 -0.640 9.331 6.292 372 1HB LYS 78 1HB LYS 78 -1.117 11.235 3.985 373 2HB LYS 78 2HB LYS 78 -1.618 11.498 5.649 374 1HG LYS 78 1HG LYS 78 0.731 11.528 6.345 375 2HG LYS 78 2HG LYS 78 1.220 11.294 4.664 376 1HD LYS 78 1HD LYS 78 0.088 13.393 4.062 377 2HD LYS 78 2HD LYS 78 -0.351 13.631 5.754 378 1HE LYS 78 1HE LYS 78 2.438 13.531 4.612 379 2HE LYS 78 2HE LYS 78 1.593 14.962 5.202 380 1HZ LYS 78 1HZ LYS 78 2.812 14.448 7.028 381 2HZ LYS 78 2HZ LYS 78 2.852 12.790 6.695 382 3HZ LYS 78 3HZ LYS 78 1.455 13.485 7.368 383 H PHE 79 H PHE 79 -1.502 7.117 4.851 384 HA PHE 79 HA PHE 79 -3.772 7.210 3.327 385 1HB PHE 79 1HB PHE 79 -2.471 5.171 3.837 386 2HB PHE 79 2HB PHE 79 -3.144 5.158 5.461 387 HD1 PHE 79 HD1 PHE 79 -5.346 4.323 5.879 388 HD2 PHE 79 HD2 PHE 79 -3.896 4.688 1.895 389 HE1 PHE 79 HE1 PHE 79 -7.230 2.961 5.069 390 HE2 PHE 79 HE2 PHE 79 -5.776 3.331 1.081 391 HZ PHE 79 HZ PHE 79 -7.447 2.467 2.667 392 H LYS 80 H LYS 80 -3.541 7.679 6.781 393 HA LYS 80 HA LYS 80 -6.225 7.181 7.479 394 1HB LYS 80 1HB LYS 80 -4.452 7.216 9.147 395 2HB LYS 80 2HB LYS 80 -4.110 8.900 8.799 396 1HG LYS 80 1HG LYS 80 -6.831 8.151 9.750 397 2HG LYS 80 2HG LYS 80 -5.498 8.208 10.904 398 1HD LYS 80 1HD LYS 80 -5.025 10.522 10.212 399 2HD LYS 80 2HD LYS 80 -6.393 10.456 9.099 400 1HE LYS 80 1HE LYS 80 -7.896 10.057 11.002 401 2HE LYS 80 2HE LYS 80 -6.521 10.171 12.101 402 1HZ LYS 80 1HZ LYS 80 -7.562 12.332 10.344 403 2HZ LYS 80 2HZ LYS 80 -6.169 12.454 11.299 404 3HZ LYS 80 3HZ LYS 80 -7.681 12.258 12.036 405 H GLU 81 H GLU 81 -4.512 10.121 6.532 406 HA GLU 81 HA GLU 81 -6.966 11.688 6.712 407 1HB GLU 81 1HB GLU 81 -4.454 12.380 7.287 408 2HB GLU 81 2HB GLU 81 -4.439 12.794 5.578 409 1HG GLU 81 1HG GLU 81 -4.977 14.728 6.923 410 2HG GLU 81 2HG GLU 81 -6.351 14.274 5.916 411 H GLY 82 H GLY 82 -5.062 10.013 4.404 412 1HA GLY 82 1HA GLY 82 -5.682 11.271 2.040 413 2HA GLY 82 2HA GLY 82 -5.299 9.580 2.215 414 H VAL 83 H VAL 83 -7.398 8.869 3.891 415 HA VAL 83 HA VAL 83 -9.449 8.369 1.970 416 HB VAL 83 HB VAL 83 -9.406 8.147 4.836 417 1HG1 VAL 83 1HG1 VAL 83 -11.185 6.928 2.719 418 2HG1 VAL 83 2HG1 VAL 83 -11.676 8.112 3.931 419 3HG1 VAL 83 3HG1 VAL 83 -11.183 6.494 4.428 420 1HG2 VAL 83 1HG2 VAL 83 -8.747 6.184 2.656 421 2HG2 VAL 83 2HG2 VAL 83 -8.827 5.832 4.383 422 3HG2 VAL 83 3HG2 VAL 83 -7.596 6.935 3.763 423 H ALA 84 H ALA 84 -9.194 10.447 4.822 424 HA ALA 84 HA ALA 84 -11.961 11.216 4.688 425 1HB ALA 84 1HB ALA 84 -10.840 10.893 6.844 426 2HB ALA 84 2HB ALA 84 -11.500 12.521 6.680 427 3HB ALA 84 3HB ALA 84 -9.768 12.247 6.478 428 H SER 85 H SER 85 -8.907 12.495 3.654 429 HA SER 85 HA SER 85 -9.827 15.132 3.106 430 1HB SER 85 1HB SER 85 -7.890 15.343 1.642 431 2HB SER 85 2HB SER 85 -7.412 14.492 3.110 432 HG SER 85 HG SER 85 -7.153 13.694 0.606 433 H GLY 86 H GLY 86 -10.146 12.075 1.517 434 1HA GLY 86 1HA GLY 86 -11.781 11.471 -0.020 435 2HA GLY 86 2HA GLY 86 -12.200 13.171 -0.202 436 H ASN 87 H ASN 87 -8.887 12.319 -0.438 437 HA ASN 87 HA ASN 87 -8.838 11.951 -3.263 438 1HB ASN 87 1HB ASN 87 -7.585 14.102 -3.738 439 2HB ASN 87 2HB ASN 87 -9.306 14.282 -3.428 440 1HD2 ASN 87 1HD2 ASN 87 -9.217 16.368 -2.771 441 2HD2 ASN 87 2HD2 ASN 87 -8.455 16.880 -1.296 442 H LEU 88 H LEU 88 -7.786 10.331 -1.544 443 HA LEU 88 HA LEU 88 -5.102 10.796 -0.845 444 1HB LEU 88 1HB LEU 88 -6.879 8.909 -0.212 445 2HB LEU 88 2HB LEU 88 -5.990 8.040 -1.451 446 HG LEU 88 HG LEU 88 -4.776 9.360 0.924 447 1HD1 LEU 88 1HD1 LEU 88 -5.435 6.454 0.471 448 2HD1 LEU 88 2HD1 LEU 88 -6.198 7.533 1.640 449 3HD1 LEU 88 3HD1 LEU 88 -4.504 7.081 1.830 450 1HD2 LEU 88 1HD2 LEU 88 -3.598 7.420 -1.054 451 2HD2 LEU 88 2HD2 LEU 88 -2.779 8.049 0.375 452 3HD2 LEU 88 3HD2 LEU 88 -3.227 9.138 -0.936 453 H ASN 89 H ASN 89 -4.298 11.742 -2.838 454 HA ASN 89 HA ASN 89 -3.018 9.599 -4.314 455 1HB ASN 89 1HB ASN 89 -3.444 10.543 -6.497 456 2HB ASN 89 2HB ASN 89 -4.976 10.274 -5.685 457 1HD2 ASN 89 1HD2 ASN 89 -4.191 12.060 -7.893 458 2HD2 ASN 89 2HD2 ASN 89 -4.726 13.634 -7.417 459 H THR 90 H THR 90 -0.997 9.915 -3.593 460 HA THR 90 HA THR 90 0.244 12.541 -3.905 461 HB THR 90 HB THR 90 0.302 11.078 -1.425 462 HG1 THR 90 HG1 THR 90 -1.388 12.255 -0.807 463 1HG2 THR 90 1HG2 THR 90 1.169 13.178 -0.570 464 2HG2 THR 90 2HG2 THR 90 1.092 13.883 -2.184 465 3HG2 THR 90 3HG2 THR 90 2.204 12.555 -1.855 466 H MET 91 H MET 91 2.518 12.460 -3.908 467 HA MET 91 HA MET 91 3.709 9.765 -3.760 468 1HB MET 91 1HB MET 91 5.422 10.650 -5.411 469 2HB MET 91 2HB MET 91 3.820 10.322 -6.049 470 1HG MET 91 1HG MET 91 3.292 12.716 -5.908 471 2HG MET 91 2HG MET 91 4.909 13.025 -5.281 472 1HE MET 91 1HE MET 91 3.658 14.540 -7.787 473 2HE MET 91 2HE MET 91 5.049 14.557 -8.872 474 3HE MET 91 3HE MET 91 5.273 14.854 -7.150 475 H PHE 92 H PHE 92 5.354 9.530 -2.418 476 HA PHE 92 HA PHE 92 6.908 11.807 -1.497 477 1HB PHE 92 1HB PHE 92 4.968 11.864 -0.002 478 2HB PHE 92 2HB PHE 92 5.176 10.158 0.368 479 HD1 PHE 92 HD1 PHE 92 6.963 13.416 0.585 480 HD2 PHE 92 HD2 PHE 92 6.372 9.542 2.247 481 HE1 PHE 92 HE1 PHE 92 8.410 14.016 2.484 482 HE2 PHE 92 HE2 PHE 92 7.816 10.134 4.151 483 HZ PHE 92 HZ PHE 92 8.807 12.373 4.292 484 H GLU 93 H GLU 93 8.938 11.177 -0.768 485 HA GLU 93 HA GLU 93 9.530 8.324 -0.997 486 1HB GLU 93 1HB GLU 93 11.337 10.744 -0.848 487 2HB GLU 93 2HB GLU 93 11.929 9.088 -0.860 488 1HG GLU 93 1HG GLU 93 10.863 8.740 -3.042 489 2HG GLU 93 2HG GLU 93 10.328 10.419 -3.029 490 H TYR 94 H TYR 94 9.590 7.112 0.757 491 HA TYR 94 HA TYR 94 9.836 8.462 3.360 492 1HB TYR 94 1HB TYR 94 7.651 7.276 2.761 493 2HB TYR 94 2HB TYR 94 8.554 5.771 2.848 494 HD1 TYR 94 HD1 TYR 94 7.059 4.950 4.625 495 HD2 TYR 94 HD2 TYR 94 9.374 8.481 5.137 496 HE1 TYR 94 HE1 TYR 94 6.677 4.841 7.051 497 HE2 TYR 94 HE2 TYR 94 8.994 8.387 7.565 498 HH TYR 94 HH TYR 94 7.720 5.634 9.114 499 H THR 95 H THR 95 12.022 8.360 3.539 500 HA THR 95 HA THR 95 13.403 5.926 2.850 501 HB THR 95 HB THR 95 14.253 7.869 2.193 502 HG1 THR 95 HG1 THR 95 16.250 7.572 3.852 503 1HG2 THR 95 1HG2 THR 95 13.381 9.386 3.865 504 2HG2 THR 95 2HG2 THR 95 15.137 9.518 3.768 505 3HG2 THR 95 3HG2 THR 95 14.391 8.636 5.100 506 H PHE 96 H PHE 96 14.536 4.622 4.198 507 HA PHE 96 HA PHE 96 14.511 5.226 7.075 508 1HB PHE 96 1HB PHE 96 14.337 2.469 5.829 509 2HB PHE 96 2HB PHE 96 14.363 2.830 7.548 510 HD1 PHE 96 HD1 PHE 96 12.399 4.688 8.141 511 HD2 PHE 96 HD2 PHE 96 12.338 1.775 5.044 512 HE1 PHE 96 HE1 PHE 96 9.937 4.719 8.157 513 HE2 PHE 96 HE2 PHE 96 9.891 1.798 5.046 514 HZ PHE 96 HZ PHE 96 8.678 3.277 6.605 515 H ASP 97 H ASP 97 16.540 5.527 7.748 516 HA ASP 97 HA ASP 97 18.697 4.840 5.956 517 1HB ASP 97 1HB ASP 97 20.107 6.136 7.598 518 2HB ASP 97 2HB ASP 97 18.811 7.046 6.832 519 H TYR 98 H TYR 98 20.022 4.896 9.000 520 HA TYR 98 HA TYR 98 20.434 1.987 8.795 521 1HB TYR 98 1HB TYR 98 22.346 3.740 8.469 522 2HB TYR 98 2HB TYR 98 22.308 3.848 10.225 523 HD1 TYR 98 HD1 TYR 98 22.379 1.216 7.577 524 HD2 TYR 98 HD2 TYR 98 23.785 2.508 11.376 525 HE1 TYR 98 HE1 TYR 98 23.833 -0.760 7.700 526 HE2 TYR 98 HE2 TYR 98 25.241 0.531 11.514 527 HH TYR 98 HH TYR 98 25.416 -1.696 10.589 528 H GLN 99 H GLN 99 18.546 3.910 10.449 529 HA GLN 99 HA GLN 99 19.190 3.105 13.149 530 1HB GLN 99 1HB GLN 99 16.952 4.269 13.628 531 2HB GLN 99 2HB GLN 99 18.287 5.257 13.055 532 1HG GLN 99 1HG GLN 99 17.353 5.256 10.815 533 2HG GLN 99 2HG GLN 99 16.040 4.205 11.347 534 1HE2 GLN 99 1HE2 GLN 99 16.011 6.934 10.196 535 2HE2 GLN 99 2HE2 GLN 99 15.137 7.895 11.347 536 H MET 100 H MET 100 19.118 0.812 12.563 537 HA MET 100 HA MET 100 18.226 -1.249 12.313 538 1HB MET 100 1HB MET 100 16.671 -1.927 13.970 539 2HB MET 100 2HB MET 100 17.680 -0.684 14.686 540 1HG MET 100 1HG MET 100 15.924 0.932 14.516 541 2HG MET 100 2HG MET 100 14.929 -0.182 13.580 542 1HE MET 100 1HE MET 100 15.991 -0.863 18.027 543 2HE MET 100 2HE MET 100 16.536 0.539 17.105 544 3HE MET 100 3HE MET 100 17.144 -1.068 16.706 545 H THR 101 H THR 101 17.190 0.847 10.444 546 HA THR 101 HA THR 101 14.552 -0.207 9.826 547 HB THR 101 HB THR 101 14.794 1.447 8.055 548 HG1 THR 101 HG1 THR 101 16.911 2.055 8.225 549 1HG2 THR 101 1HG2 THR 101 13.269 1.561 9.947 550 2HG2 THR 101 2HG2 THR 101 14.012 3.132 9.641 551 3HG2 THR 101 3HG2 THR 101 14.579 2.133 10.980 552 HA PRO 102 HA PRO 102 16.019 -2.795 6.657 553 1HB PRO 102 1HB PRO 102 13.572 -2.630 5.146 554 2HB PRO 102 2HB PRO 102 14.092 -3.895 6.261 555 1HG PRO 102 1HG PRO 102 11.994 -2.191 6.740 556 2HG PRO 102 2HG PRO 102 12.925 -3.003 8.009 557 1HD PRO 102 1HD PRO 102 13.147 -0.195 6.999 558 2HD PRO 102 2HD PRO 102 13.257 -0.808 8.664 559 H THR 103 H THR 103 13.840 -0.685 4.799 560 HA THR 103 HA THR 103 16.039 -0.219 2.892 561 HB THR 103 HB THR 103 14.346 -0.286 1.255 562 HG1 THR 103 HG1 THR 103 12.378 -0.591 1.960 563 1HG2 THR 103 1HG2 THR 103 14.962 -2.776 2.820 564 2HG2 THR 103 2HG2 THR 103 15.966 -2.066 1.555 565 3HG2 THR 103 3HG2 THR 103 14.376 -2.721 1.159 566 H LYS 104 H LYS 104 15.736 1.598 1.495 567 HA LYS 104 HA LYS 104 13.965 3.687 2.489 568 1HB LYS 104 1HB LYS 104 16.173 4.379 1.693 569 2HB LYS 104 2HB LYS 104 15.880 3.613 0.137 570 1HG LYS 104 1HG LYS 104 13.749 5.340 0.420 571 2HG LYS 104 2HG LYS 104 15.111 6.237 1.094 572 1HD LYS 104 1HD LYS 104 16.368 5.957 -0.932 573 2HD LYS 104 2HD LYS 104 15.140 4.879 -1.598 574 1HE LYS 104 1HE LYS 104 13.518 6.767 -1.473 575 2HE LYS 104 2HE LYS 104 14.849 7.817 -0.988 576 1HZ LYS 104 1HZ LYS 104 15.950 7.315 -3.091 577 2HZ LYS 104 2HZ LYS 104 14.413 7.994 -3.349 578 3HZ LYS 104 3HZ LYS 104 14.651 6.321 -3.554 579 H VAL 105 H VAL 105 11.955 4.071 1.613 580 HA VAL 105 HA VAL 105 11.362 2.749 -0.932 581 HB VAL 105 HB VAL 105 9.168 2.533 -0.227 582 1HG1 VAL 105 1HG1 VAL 105 9.653 0.517 1.093 583 2HG1 VAL 105 2HG1 VAL 105 11.315 1.070 1.298 584 3HG1 VAL 105 3HG1 VAL 105 10.712 0.667 -0.310 585 1HG2 VAL 105 1HG2 VAL 105 9.087 4.102 1.597 586 2HG2 VAL 105 2HG2 VAL 105 10.314 3.184 2.472 587 3HG2 VAL 105 3HG2 VAL 105 8.724 2.476 2.180 588 H LYS 106 H LYS 106 9.534 3.651 -2.066 589 HA LYS 106 HA LYS 106 8.915 6.433 -1.366 590 1HB LYS 106 1HB LYS 106 9.080 7.064 -3.760 591 2HB LYS 106 2HB LYS 106 10.629 6.564 -3.095 592 1HG LYS 106 1HG LYS 106 10.381 4.372 -4.129 593 2HG LYS 106 2HG LYS 106 8.811 4.849 -4.774 594 1HD LYS 106 1HD LYS 106 11.447 6.164 -5.433 595 2HD LYS 106 2HD LYS 106 10.601 4.998 -6.453 596 1HE LYS 106 1HE LYS 106 8.665 6.552 -6.525 597 2HE LYS 106 2HE LYS 106 9.626 7.730 -5.632 598 1HZ LYS 106 1HZ LYS 106 11.243 7.707 -7.446 599 2HZ LYS 106 2HZ LYS 106 9.704 8.183 -7.984 600 3HZ LYS 106 3HZ LYS 106 10.267 6.621 -8.308 601 H VAL 107 H VAL 107 6.805 7.045 -1.816 602 HA VAL 107 HA VAL 107 5.140 4.851 -2.843 603 HB VAL 107 HB VAL 107 3.369 5.954 -1.662 604 1HG1 VAL 107 1HG1 VAL 107 4.248 3.749 -1.150 605 2HG1 VAL 107 2HG1 VAL 107 3.964 4.638 0.346 606 3HG1 VAL 107 3HG1 VAL 107 5.605 4.459 -0.275 607 1HG2 VAL 107 1HG2 VAL 107 4.498 7.988 -1.028 608 2HG2 VAL 107 2HG2 VAL 107 5.727 7.067 -0.160 609 3HG2 VAL 107 3HG2 VAL 107 4.054 7.057 0.403 610 H HIS 108 H HIS 108 3.724 5.220 -4.338 611 HA HIS 108 HA HIS 108 2.774 7.966 -4.723 612 1HB HIS 108 1HB HIS 108 4.259 7.313 -6.620 613 2HB HIS 108 2HB HIS 108 3.227 5.921 -6.918 614 HD1 HIS 108 HD1 HIS 108 2.683 6.761 -9.299 615 HD2 HIS 108 HD2 HIS 108 1.524 9.376 -6.271 616 HE1 HIS 108 HE1 HIS 108 1.142 8.430 -10.386 617 HE2 HIS 108 HE2 HIS 108 0.590 10.096 -8.580 618 H MET 109 H MET 109 0.865 7.842 -3.785 619 HA MET 109 HA MET 109 -0.766 5.428 -4.221 620 1HB MET 109 1HB MET 109 -0.979 7.569 -2.090 621 2HB MET 109 2HB MET 109 -2.068 6.199 -2.255 622 1HG MET 109 1HG MET 109 -0.114 4.695 -1.913 623 2HG MET 109 2HG MET 109 0.859 6.125 -1.572 624 1HE MET 109 1HE MET 109 -2.732 4.767 0.987 625 2HE MET 109 2HE MET 109 -2.131 3.876 -0.413 626 3HE MET 109 3HE MET 109 -2.900 5.448 -0.631 627 H LYS 110 H LYS 110 -2.921 5.657 -4.905 628 HA LYS 110 HA LYS 110 -3.864 8.336 -5.433 629 1HB LYS 110 1HB LYS 110 -4.137 8.119 -7.800 630 2HB LYS 110 2HB LYS 110 -2.457 7.767 -7.427 631 1HG LYS 110 1HG LYS 110 -2.885 5.387 -7.646 632 2HG LYS 110 2HG LYS 110 -4.592 5.705 -7.958 633 1HD LYS 110 1HD LYS 110 -2.241 6.501 -9.673 634 2HD LYS 110 2HD LYS 110 -3.479 5.304 -10.053 635 1HE LYS 110 1HE LYS 110 -3.852 8.285 -9.777 636 2HE LYS 110 2HE LYS 110 -3.931 7.342 -11.264 637 1HZ LYS 110 1HZ LYS 110 -5.824 7.204 -8.976 638 2HZ LYS 110 2HZ LYS 110 -5.876 6.176 -10.319 639 3HZ LYS 110 3HZ LYS 110 -6.140 7.843 -10.513 640 H LYS 111 H LYS 111 -5.998 8.418 -5.134 641 HA LYS 111 HA LYS 111 -7.550 6.284 -4.445 642 1HB LYS 111 1HB LYS 111 -8.134 8.546 -3.998 643 2HB LYS 111 2HB LYS 111 -8.182 8.934 -5.702 644 1HG LYS 111 1HG LYS 111 -10.144 7.441 -5.949 645 2HG LYS 111 2HG LYS 111 -10.129 7.202 -4.198 646 1HD LYS 111 1HD LYS 111 -10.127 9.971 -5.307 647 2HD LYS 111 2HD LYS 111 -11.645 9.060 -5.267 648 1HE LYS 111 1HE LYS 111 -9.877 9.426 -2.855 649 2HE LYS 111 2HE LYS 111 -11.157 10.561 -3.275 650 1HZ LYS 111 1HZ LYS 111 -11.543 7.664 -2.706 651 2HZ LYS 111 2HZ LYS 111 -12.766 8.764 -3.103 652 3HZ LYS 111 3HZ LYS 111 -11.909 8.940 -1.650 653 H ALA 112 H ALA 112 -8.158 4.596 -5.545 654 HA ALA 112 HA ALA 112 -7.489 4.221 -8.250 655 1HB ALA 112 1HB ALA 112 -9.303 2.565 -6.499 656 2HB ALA 112 2HB ALA 112 -7.549 2.412 -6.600 657 3HB ALA 112 3HB ALA 112 -8.549 2.046 -8.007 658 H LEU 113 H LEU 113 -8.682 4.333 -10.086 659 HA LEU 113 HA LEU 113 -11.166 5.733 -10.059 660 1HB LEU 113 1HB LEU 113 -9.786 4.257 -12.304 661 2HB LEU 113 2HB LEU 113 -11.176 5.310 -12.495 662 HG LEU 113 HG LEU 113 -8.427 6.149 -11.563 663 1HD1 LEU 113 1HD1 LEU 113 -8.526 5.661 -13.941 664 2HD1 LEU 113 2HD1 LEU 113 -8.364 7.395 -13.661 665 3HD1 LEU 113 3HD1 LEU 113 -9.928 6.717 -14.110 666 1HD2 LEU 113 1HD2 LEU 113 -9.308 8.426 -11.638 667 2HD2 LEU 113 2HD2 LEU 113 -10.178 7.446 -10.458 668 3HD2 LEU 113 3HD2 LEU 113 -10.911 7.800 -12.023 669 H SER 114 H SER 114 -10.330 2.553 -9.513 670 HA SER 114 HA SER 114 -12.582 1.168 -10.484 671 1HB SER 114 1HB SER 114 -11.053 0.511 -7.960 672 2HB SER 114 2HB SER 114 -11.888 -0.604 -9.042 673 HG SER 114 HG SER 114 -10.293 -0.430 -10.509 674 H GLY 115 H GLY 115 -11.953 3.017 -7.555 675 1HA GLY 115 1HA GLY 115 -13.755 4.246 -6.530 676 2HA GLY 115 2HA GLY 115 -14.838 2.925 -6.955 677 H ASP 116 H ASP 116 -14.034 4.302 -4.382 678 HA ASP 116 HA ASP 116 -13.496 3.858 -2.224 679 1HB ASP 116 1HB ASP 116 -15.240 1.646 -3.127 680 2HB ASP 116 2HB ASP 116 -14.416 1.413 -1.586 681 H SER 117 H SER 117 -11.319 3.534 -3.712 682 HA SER 117 HA SER 117 -9.774 1.670 -2.187 683 1HB SER 117 1HB SER 117 -8.855 0.668 -4.395 684 2HB SER 117 2HB SER 117 -10.346 0.038 -3.706 685 HG SER 117 HG SER 117 -11.524 1.164 -5.208 686 H TYR 118 H TYR 118 -7.504 1.931 -2.536 687 HA TYR 118 HA TYR 118 -6.687 4.272 -4.109 688 1HB TYR 118 1HB TYR 118 -5.784 3.862 -1.245 689 2HB TYR 118 2HB TYR 118 -5.447 5.240 -2.293 690 HD1 TYR 118 HD1 TYR 118 -7.761 3.731 0.001 691 HD2 TYR 118 HD2 TYR 118 -7.246 6.823 -2.844 692 HE1 TYR 118 HE1 TYR 118 -9.720 4.897 0.935 693 HE2 TYR 118 HE2 TYR 118 -9.207 8.012 -1.932 694 HH TYR 118 HH TYR 118 -11.167 7.600 -0.616 695 H TRP 119 H TRP 119 -4.687 4.010 -5.062 696 HA TRP 119 HA TRP 119 -3.540 1.374 -4.838 697 1HB TRP 119 1HB TRP 119 -2.921 3.773 -6.549 698 2HB TRP 119 2HB TRP 119 -1.936 2.298 -6.572 699 HD1 TRP 119 HD1 TRP 119 -5.665 3.269 -7.135 700 HE1 TRP 119 HE1 TRP 119 -6.566 1.716 -9.021 701 HE3 TRP 119 HE3 TRP 119 -1.488 0.470 -7.934 702 HZ2 TRP 119 HZ2 TRP 119 -5.584 -0.421 -10.603 703 HZ3 TRP 119 HZ3 TRP 119 -1.520 -1.267 -9.622 704 HH2 TRP 119 HH2 TRP 119 -3.525 -1.718 -10.955 705 H VAL 120 H VAL 120 -1.296 1.066 -4.630 706 HA VAL 120 HA VAL 120 0.221 3.121 -3.191 707 HB VAL 120 HB VAL 120 0.068 0.318 -2.550 708 1HG1 VAL 120 1HG1 VAL 120 1.572 2.623 -1.306 709 2HG1 VAL 120 2HG1 VAL 120 2.281 1.275 -2.193 710 3HG1 VAL 120 3HG1 VAL 120 1.477 0.989 -0.649 711 1HG2 VAL 120 1HG2 VAL 120 -0.925 1.100 -0.450 712 2HG2 VAL 120 2HG2 VAL 120 -1.953 1.410 -1.848 713 3HG2 VAL 120 3HG2 VAL 120 -1.028 2.726 -1.123 714 H PHE 121 H PHE 121 1.480 3.456 -5.025 715 HA PHE 121 HA PHE 121 2.999 1.189 -6.067 716 1HB PHE 121 1HB PHE 121 3.193 4.135 -6.749 717 2HB PHE 121 2HB PHE 121 4.046 2.842 -7.573 718 HD1 PHE 121 HD1 PHE 121 0.872 4.568 -7.170 719 HD2 PHE 121 HD2 PHE 121 2.846 1.309 -9.059 720 HE1 PHE 121 HE1 PHE 121 -1.019 4.325 -8.722 721 HE2 PHE 121 HE2 PHE 121 0.959 1.062 -10.616 722 HZ PHE 121 HZ PHE 121 -0.943 2.597 -10.495 723 H VAL 122 H VAL 122 4.458 0.515 -4.591 724 HA VAL 122 HA VAL 122 6.169 2.568 -3.379 725 HB VAL 122 HB VAL 122 4.837 1.594 -1.867 726 1HG1 VAL 122 1HG1 VAL 122 6.032 -1.026 -2.756 727 2HG1 VAL 122 2HG1 VAL 122 4.350 -0.529 -2.927 728 3HG1 VAL 122 3HG1 VAL 122 5.033 -0.794 -1.323 729 1HG2 VAL 122 1HG2 VAL 122 7.704 0.719 -1.685 730 2HG2 VAL 122 2HG2 VAL 122 6.575 0.812 -0.335 731 3HG2 VAL 122 3HG2 VAL 122 7.042 2.277 -1.197 732 H LYS 123 H LYS 123 8.336 2.354 -3.548 733 HA LYS 123 HA LYS 123 9.435 -0.078 -4.701 734 1HB LYS 123 1HB LYS 123 9.706 2.652 -5.979 735 2HB LYS 123 2HB LYS 123 10.647 1.241 -6.445 736 1HG LYS 123 1HG LYS 123 8.664 0.099 -7.185 737 2HG LYS 123 2HG LYS 123 7.641 1.402 -6.582 738 1HD LYS 123 1HD LYS 123 8.722 2.942 -8.185 739 2HD LYS 123 2HD LYS 123 9.656 1.585 -8.822 740 1HE LYS 123 1HE LYS 123 6.643 1.727 -8.776 741 2HE LYS 123 2HE LYS 123 7.643 2.128 -10.171 742 1HZ LYS 123 1HZ LYS 123 7.654 -0.526 -8.836 743 2HZ LYS 123 2HZ LYS 123 8.418 -0.109 -10.290 744 3HZ LYS 123 3HZ LYS 123 6.731 -0.160 -10.206 745 H ARG 124 H ARG 124 11.610 -0.378 -4.261 746 HA ARG 124 HA ARG 124 12.519 1.107 -1.960 747 1HB ARG 124 1HB ARG 124 14.339 -0.527 -1.854 748 2HB ARG 124 2HB ARG 124 12.781 -1.328 -2.009 749 1HG ARG 124 1HG ARG 124 13.179 -1.849 -4.293 750 2HG ARG 124 2HG ARG 124 14.612 -0.820 -4.340 751 1HD ARG 124 1HD ARG 124 15.191 -3.198 -4.193 752 2HD ARG 124 2HD ARG 124 15.753 -2.294 -2.788 753 HE ARG 124 HE ARG 124 13.207 -3.754 -2.629 754 1HH1 ARG 124 1HH1 ARG 124 16.576 -3.475 -1.694 755 2HH1 ARG 124 2HH1 ARG 124 16.396 -4.500 -0.296 756 1HH2 ARG 124 1HH2 ARG 124 12.991 -5.132 -0.812 757 2HH2 ARG 124 2HH2 ARG 124 14.373 -5.440 0.198 758 H VAL 125 H VAL 125 14.516 2.058 -1.744 759 HA VAL 125 HA VAL 125 15.873 3.785 -2.299 760 HB VAL 125 HB VAL 125 17.671 3.102 -3.624 761 1HG1 VAL 125 1HG1 VAL 125 16.711 1.406 -1.325 762 2HG1 VAL 125 2HG1 VAL 125 17.554 2.950 -1.206 763 3HG1 VAL 125 3HG1 VAL 125 18.383 1.541 -1.868 764 1HG2 VAL 125 1HG2 VAL 125 16.149 0.503 -3.704 765 2HG2 VAL 125 2HG2 VAL 125 17.868 0.690 -4.058 766 3HG2 VAL 125 3HG2 VAL 125 16.667 1.467 -5.090 767 H2 HC4 169 H2 HC4 169 -0.225 -7.742 15.031 768 H3 HC4 169 H3 HC4 169 1.146 -8.602 13.587 769 H2' HC4 169 H2' HC4 169 2.947 -8.736 11.982 770 H3' HC4 169 H3' HC4 169 4.550 -7.753 10.404 771 H5' HC4 169 H5' HC4 169 3.572 -3.871 11.859 772 H6' HC4 169 H6' HC4 169 1.900 -4.859 13.351 773 'HO4 HC4 169 'HO4 HC4 169 4.996 -5.564 9.315 Start of MODEL 4 1 H LEU 26 H LEU 26 6.140 0.164 -18.322 2 HA LEU 26 HA LEU 26 5.524 -0.965 -16.301 3 1HB LEU 26 1HB LEU 26 7.639 -1.518 -17.460 4 2HB LEU 26 2HB LEU 26 8.479 -0.353 -16.459 5 HG LEU 26 HG LEU 26 7.942 -1.702 -14.462 6 1HD1 LEU 26 1HD1 LEU 26 7.065 -3.974 -14.755 7 2HD1 LEU 26 2HD1 LEU 26 6.792 -3.639 -16.465 8 3HD1 LEU 26 3HD1 LEU 26 5.893 -2.747 -15.238 9 1HD2 LEU 26 1HD2 LEU 26 10.063 -2.018 -15.605 10 2HD2 LEU 26 2HD2 LEU 26 9.322 -3.201 -16.683 11 3HD2 LEU 26 3HD2 LEU 26 9.470 -3.550 -14.961 12 H ALA 27 H ALA 27 4.948 -0.736 -14.251 13 HA ALA 27 HA ALA 27 6.250 1.380 -12.657 14 1HB ALA 27 1HB ALA 27 4.152 1.650 -11.443 15 2HB ALA 27 2HB ALA 27 3.403 0.402 -12.440 16 3HB ALA 27 3HB ALA 27 3.914 1.923 -13.171 17 H PHE 28 H PHE 28 7.424 0.609 -11.042 18 HA PHE 28 HA PHE 28 7.273 -2.174 -10.311 19 1HB PHE 28 1HB PHE 28 9.014 0.068 -9.264 20 2HB PHE 28 2HB PHE 28 9.181 -1.623 -8.810 21 HD1 PHE 28 HD1 PHE 28 9.740 0.869 -11.409 22 HD2 PHE 28 HD2 PHE 28 10.052 -3.254 -10.391 23 HE1 PHE 28 HE1 PHE 28 11.248 0.514 -13.320 24 HE2 PHE 28 HE2 PHE 28 11.556 -3.616 -12.302 25 HZ PHE 28 HZ PHE 28 12.157 -1.731 -13.769 26 H GLY 29 H GLY 29 6.881 -2.992 -8.227 27 1HA GLY 29 1HA GLY 29 5.837 -3.149 -6.190 28 2HA GLY 29 2HA GLY 29 6.342 -1.485 -5.940 29 H ALA 30 H ALA 30 4.044 -2.892 -8.258 30 HA ALA 30 HA ALA 30 2.203 -0.742 -7.549 31 1HB ALA 30 1HB ALA 30 2.107 -2.715 -9.834 32 2HB ALA 30 2HB ALA 30 2.745 -1.073 -9.908 33 3HB ALA 30 3HB ALA 30 1.029 -1.337 -9.606 34 H ILE 31 H ILE 31 1.053 -1.307 -5.771 35 HA ILE 31 HA ILE 31 -0.668 -3.663 -6.095 36 HB ILE 31 HB ILE 31 0.816 -4.202 -4.633 37 1HG1 ILE 31 1HG1 ILE 31 -1.673 -4.540 -4.164 38 2HG1 ILE 31 2HG1 ILE 31 -0.470 -5.022 -2.991 39 1HG2 ILE 31 1HG2 ILE 31 1.289 -2.963 -2.566 40 2HG2 ILE 31 2HG2 ILE 31 0.263 -1.653 -3.152 41 3HG2 ILE 31 3HG2 ILE 31 1.747 -2.064 -4.014 42 1HD1 ILE 31 1HD1 ILE 31 -2.118 -2.503 -2.900 43 2HD1 ILE 31 2HD1 ILE 31 -0.888 -2.971 -1.726 44 3HD1 ILE 31 3HD1 ILE 31 -2.349 -3.941 -1.907 45 H GLN 32 H GLN 32 -2.777 -3.416 -5.606 46 HA GLN 32 HA GLN 32 -3.585 -0.686 -4.897 47 1HB GLN 32 1HB GLN 32 -5.682 -1.102 -6.097 48 2HB GLN 32 2HB GLN 32 -4.276 -1.197 -7.132 49 1HG GLN 32 1HG GLN 32 -4.453 -3.454 -7.432 50 2HG GLN 32 2HG GLN 32 -5.416 -3.697 -5.976 51 1HE2 GLN 32 1HE2 GLN 32 -7.283 -1.512 -6.656 52 2HE2 GLN 32 2HE2 GLN 32 -8.245 -2.109 -7.951 53 H LEU 33 H LEU 33 -4.846 -0.328 -3.241 54 HA LEU 33 HA LEU 33 -6.151 -2.657 -1.975 55 1HB LEU 33 1HB LEU 33 -5.826 -1.545 0.205 56 2HB LEU 33 2HB LEU 33 -4.334 -2.041 -0.558 57 HG LEU 33 HG LEU 33 -4.211 0.433 -1.365 58 1HD1 LEU 33 1HD1 LEU 33 -6.443 1.102 -0.666 59 2HD1 LEU 33 2HD1 LEU 33 -5.213 2.024 0.201 60 3HD1 LEU 33 3HD1 LEU 33 -6.052 0.699 1.006 61 1HD2 LEU 33 1HD2 LEU 33 -3.011 1.031 0.678 62 2HD2 LEU 33 2HD2 LEU 33 -2.643 -0.618 0.170 63 3HD2 LEU 33 3HD2 LEU 33 -3.752 -0.336 1.512 64 H ASP 34 H ASP 34 -8.037 -2.083 -0.672 65 HA ASP 34 HA ASP 34 -9.612 -0.120 -2.164 66 1HB ASP 34 1HB ASP 34 -11.570 -1.091 -0.965 67 2HB ASP 34 2HB ASP 34 -10.679 -2.268 -1.919 68 H GLY 35 H GLY 35 -10.918 1.439 -1.151 69 1HA GLY 35 1HA GLY 35 -9.600 2.749 1.058 70 2HA GLY 35 2HA GLY 35 -11.013 3.330 0.185 71 H ASP 36 H ASP 36 -10.833 0.157 1.496 72 HA ASP 36 HA ASP 36 -12.927 0.825 3.446 73 1HB ASP 36 1HB ASP 36 -13.682 -0.647 1.652 74 2HB ASP 36 2HB ASP 36 -12.336 -1.738 1.951 75 H GLY 37 H GLY 37 -9.944 -0.948 2.826 76 1HA GLY 37 1HA GLY 37 -8.365 -0.595 4.783 77 2HA GLY 37 2HA GLY 37 -9.644 -1.311 5.749 78 H ASN 38 H ASN 38 -9.109 -2.544 2.558 79 HA ASN 38 HA ASN 38 -7.514 -4.775 3.629 80 1HB ASN 38 1HB ASN 38 -10.022 -5.039 1.952 81 2HB ASN 38 2HB ASN 38 -8.914 -6.359 2.306 82 1HD2 ASN 38 1HD2 ASN 38 -11.409 -4.300 3.545 83 2HD2 ASN 38 2HD2 ASN 38 -11.653 -5.153 5.030 84 H ILE 39 H ILE 39 -6.248 -5.873 2.084 85 HA ILE 39 HA ILE 39 -5.461 -4.292 -0.184 86 HB ILE 39 HB ILE 39 -4.823 -6.981 0.643 87 1HG1 ILE 39 1HG1 ILE 39 -4.171 -5.325 2.275 88 2HG1 ILE 39 2HG1 ILE 39 -2.759 -5.926 1.423 89 1HG2 ILE 39 1HG2 ILE 39 -3.607 -5.174 -1.452 90 2HG2 ILE 39 2HG2 ILE 39 -4.423 -6.713 -1.737 91 3HG2 ILE 39 3HG2 ILE 39 -2.888 -6.672 -0.865 92 1HD1 ILE 39 1HD1 ILE 39 -2.604 -3.539 1.772 93 2HD1 ILE 39 2HD1 ILE 39 -4.133 -3.297 0.928 94 3HD1 ILE 39 3HD1 ILE 39 -2.729 -3.904 0.051 95 H LEU 40 H LEU 40 -5.816 -4.745 -2.368 96 HA LEU 40 HA LEU 40 -8.108 -6.540 -2.789 97 1HB LEU 40 1HB LEU 40 -8.470 -4.119 -3.225 98 2HB LEU 40 2HB LEU 40 -7.245 -4.191 -4.479 99 HG LEU 40 HG LEU 40 -8.621 -5.767 -5.753 100 1HD1 LEU 40 1HD1 LEU 40 -9.757 -6.866 -3.901 101 2HD1 LEU 40 2HD1 LEU 40 -10.920 -6.235 -5.066 102 3HD1 LEU 40 3HD1 LEU 40 -10.643 -5.381 -3.549 103 1HD2 LEU 40 1HD2 LEU 40 -8.869 -3.374 -6.152 104 2HD2 LEU 40 2HD2 LEU 40 -10.118 -3.291 -4.910 105 3HD2 LEU 40 3HD2 LEU 40 -10.400 -4.220 -6.384 106 H GLN 41 H GLN 41 -5.161 -5.354 -4.452 107 HA GLN 41 HA GLN 41 -4.583 -8.031 -5.353 108 1HB GLN 41 1HB GLN 41 -6.293 -7.334 -7.008 109 2HB GLN 41 2HB GLN 41 -5.287 -5.955 -7.439 110 1HG GLN 41 1HG GLN 41 -3.500 -7.553 -8.105 111 2HG GLN 41 2HG GLN 41 -4.638 -8.868 -7.823 112 1HE2 GLN 41 1HE2 GLN 41 -3.759 -6.225 -9.885 113 2HE2 GLN 41 2HE2 GLN 41 -4.826 -6.616 -11.189 114 H TYR 42 H TYR 42 -2.470 -8.312 -5.800 115 HA TYR 42 HA TYR 42 -0.771 -5.918 -6.029 116 1HB TYR 42 1HB TYR 42 -0.174 -7.565 -4.244 117 2HB TYR 42 2HB TYR 42 0.049 -8.787 -5.491 118 HD1 TYR 42 HD1 TYR 42 2.104 -8.971 -6.643 119 HD2 TYR 42 HD2 TYR 42 1.320 -5.528 -4.273 120 HE1 TYR 42 HE1 TYR 42 4.444 -8.262 -6.912 121 HE2 TYR 42 HE2 TYR 42 3.654 -4.806 -4.538 122 HH TYR 42 HH TYR 42 5.817 -5.706 -5.058 123 H ASN 43 H ASN 43 0.452 -5.602 -7.844 124 HA ASN 43 HA ASN 43 -0.164 -7.370 -10.105 125 1HB ASN 43 1HB ASN 43 0.919 -4.542 -10.093 126 2HB ASN 43 2HB ASN 43 0.542 -5.486 -11.530 127 1HD2 ASN 43 1HD2 ASN 43 -0.771 -3.782 -8.794 128 2HD2 ASN 43 2HD2 ASN 43 -2.389 -3.665 -9.396 129 H ALA 44 H ALA 44 1.341 -8.743 -10.729 130 HA ALA 44 HA ALA 44 4.004 -8.652 -9.701 131 1HB ALA 44 1HB ALA 44 2.893 -10.369 -11.923 132 2HB ALA 44 2HB ALA 44 2.851 -10.770 -10.205 133 3HB ALA 44 3HB ALA 44 4.398 -10.635 -11.042 134 H ALA 45 H ALA 45 4.793 -6.654 -10.364 135 HA ALA 45 HA ALA 45 4.997 -6.013 -13.168 136 1HB ALA 45 1HB ALA 45 4.680 -4.234 -11.529 137 2HB ALA 45 2HB ALA 45 6.199 -4.020 -12.398 138 3HB ALA 45 3HB ALA 45 6.207 -4.661 -10.756 139 H GLU 46 H GLU 46 6.688 -6.382 -14.476 140 HA GLU 46 HA GLU 46 8.736 -8.164 -13.636 141 1HB GLU 46 1HB GLU 46 8.514 -6.567 -16.192 142 2HB GLU 46 2HB GLU 46 9.611 -7.914 -15.914 143 1HG GLU 46 1HG GLU 46 7.613 -9.357 -15.526 144 2HG GLU 46 2HG GLU 46 6.610 -8.002 -16.042 145 H GLY 47 H GLY 47 11.067 -7.705 -14.079 146 1HA GLY 47 1HA GLY 47 12.774 -5.942 -14.263 147 2HA GLY 47 2HA GLY 47 11.739 -4.949 -13.241 148 H ASP 48 H ASP 48 11.484 -5.538 -11.026 149 HA ASP 48 HA ASP 48 13.293 -7.545 -9.971 150 1HB ASP 48 1HB ASP 48 14.722 -5.574 -10.119 151 2HB ASP 48 2HB ASP 48 13.536 -4.626 -9.226 152 H ILE 49 H ILE 49 11.563 -8.632 -9.139 153 HA ILE 49 HA ILE 49 10.277 -7.353 -6.828 154 HB ILE 49 HB ILE 49 8.479 -8.848 -7.225 155 1HG1 ILE 49 1HG1 ILE 49 9.629 -8.859 -10.015 156 2HG1 ILE 49 2HG1 ILE 49 9.611 -10.248 -8.933 157 1HG2 ILE 49 1HG2 ILE 49 8.389 -6.430 -7.474 158 2HG2 ILE 49 2HG2 ILE 49 7.435 -7.230 -8.723 159 3HG2 ILE 49 3HG2 ILE 49 9.022 -6.567 -9.115 160 1HD1 ILE 49 1HD1 ILE 49 7.815 -10.393 -10.541 161 2HD1 ILE 49 2HD1 ILE 49 7.204 -8.818 -10.034 162 3HD1 ILE 49 3HD1 ILE 49 7.163 -10.182 -8.916 163 H THR 50 H THR 50 12.526 -8.675 -6.402 164 HA THR 50 HA THR 50 12.231 -11.511 -6.192 165 HB THR 50 HB THR 50 14.122 -9.887 -4.793 166 HG1 THR 50 HG1 THR 50 14.822 -9.243 -6.685 167 1HG2 THR 50 1HG2 THR 50 15.547 -11.803 -5.274 168 2HG2 THR 50 2HG2 THR 50 14.207 -12.601 -6.097 169 3HG2 THR 50 3HG2 THR 50 14.118 -12.293 -4.364 170 H GLY 51 H GLY 51 12.034 -12.778 -4.335 171 1HA GLY 51 1HA GLY 51 12.049 -12.309 -1.714 172 2HA GLY 51 2HA GLY 51 10.558 -11.495 -2.169 173 H ARG 52 H ARG 52 10.316 -13.502 -0.399 174 HA ARG 52 HA ARG 52 9.075 -15.635 -2.002 175 1HB ARG 52 1HB ARG 52 10.816 -16.017 0.442 176 2HB ARG 52 2HB ARG 52 9.820 -17.278 -0.266 177 1HG ARG 52 1HG ARG 52 12.072 -15.860 -1.674 178 2HG ARG 52 2HG ARG 52 12.177 -17.452 -0.921 179 1HD ARG 52 1HD ARG 52 10.375 -18.232 -2.430 180 2HD ARG 52 2HD ARG 52 10.410 -16.661 -3.229 181 HE ARG 52 HE ARG 52 12.983 -17.927 -3.154 182 1HH1 ARG 52 1HH1 ARG 52 9.923 -17.800 -4.850 183 2HH1 ARG 52 2HH1 ARG 52 10.588 -18.359 -6.358 184 1HH2 ARG 52 1HH2 ARG 52 13.873 -18.651 -5.145 185 2HH2 ARG 52 2HH2 ARG 52 12.831 -18.830 -6.526 186 H ASP 53 H ASP 53 7.579 -13.567 -1.091 187 HA ASP 53 HA ASP 53 5.814 -14.972 0.703 188 1HB ASP 53 1HB ASP 53 5.595 -13.155 2.335 189 2HB ASP 53 2HB ASP 53 7.226 -13.809 2.317 190 HA PRO 54 HA PRO 54 3.302 -12.663 -2.266 191 1HB PRO 54 1HB PRO 54 1.472 -14.623 -2.602 192 2HB PRO 54 2HB PRO 54 2.999 -14.584 -3.489 193 1HG PRO 54 1HG PRO 54 2.223 -16.216 -1.115 194 2HG PRO 54 2HG PRO 54 3.210 -16.668 -2.517 195 1HD PRO 54 1HD PRO 54 4.225 -15.966 -0.053 196 2HD PRO 54 2HD PRO 54 5.118 -15.843 -1.580 197 H LYS 55 H LYS 55 1.927 -14.855 0.221 198 HA LYS 55 HA LYS 55 -0.253 -13.030 0.692 199 1HB LYS 55 1HB LYS 55 0.517 -15.626 2.027 200 2HB LYS 55 2HB LYS 55 -0.900 -14.682 2.470 201 1HG LYS 55 1HG LYS 55 -1.765 -14.941 0.185 202 2HG LYS 55 2HG LYS 55 -0.358 -15.929 -0.219 203 1HD LYS 55 1HD LYS 55 -1.001 -17.576 1.438 204 2HD LYS 55 2HD LYS 55 -2.356 -16.569 1.951 205 1HE LYS 55 1HE LYS 55 -3.116 -18.362 0.492 206 2HE LYS 55 2HE LYS 55 -3.360 -16.792 -0.268 207 1HZ LYS 55 1HZ LYS 55 -1.538 -17.143 -1.698 208 2HZ LYS 55 2HZ LYS 55 -2.428 -18.585 -1.729 209 3HZ LYS 55 3HZ LYS 55 -0.995 -18.492 -0.825 210 H GLN 56 H GLN 56 1.025 -11.241 1.274 211 HA GLN 56 HA GLN 56 1.239 -10.942 4.106 212 1HB GLN 56 1HB GLN 56 3.452 -11.941 3.601 213 2HB GLN 56 2HB GLN 56 3.762 -10.651 2.448 214 1HG GLN 56 1HG GLN 56 4.906 -10.301 4.582 215 2HG GLN 56 2HG GLN 56 3.758 -9.014 4.224 216 1HE2 GLN 56 1HE2 GLN 56 1.944 -8.774 5.492 217 2HE2 GLN 56 2HE2 GLN 56 1.755 -9.585 7.012 218 H VAL 57 H VAL 57 2.256 -9.582 0.989 219 HA VAL 57 HA VAL 57 1.341 -6.952 1.712 220 HB VAL 57 HB VAL 57 3.069 -7.292 0.275 221 1HG1 VAL 57 1HG1 VAL 57 2.524 -9.266 -0.935 222 2HG1 VAL 57 2HG1 VAL 57 2.558 -7.936 -2.090 223 3HG1 VAL 57 3HG1 VAL 57 1.014 -8.564 -1.516 224 1HG2 VAL 57 1HG2 VAL 57 2.374 -5.676 -1.387 225 2HG2 VAL 57 2HG2 VAL 57 1.792 -5.245 0.221 226 3HG2 VAL 57 3HG2 VAL 57 0.685 -5.953 -0.956 227 H ILE 58 H ILE 58 0.101 -9.722 -0.053 228 HA ILE 58 HA ILE 58 -2.508 -8.367 -0.277 229 HB ILE 58 HB ILE 58 -3.085 -9.981 -1.776 230 1HG1 ILE 58 1HG1 ILE 58 -0.180 -10.792 -1.726 231 2HG1 ILE 58 2HG1 ILE 58 -1.493 -11.741 -1.034 232 1HG2 ILE 58 1HG2 ILE 58 -0.646 -8.320 -2.359 233 2HG2 ILE 58 2HG2 ILE 58 -2.334 -7.849 -2.549 234 3HG2 ILE 58 3HG2 ILE 58 -1.642 -9.088 -3.594 235 1HD1 ILE 58 1HD1 ILE 58 -0.853 -12.583 -3.206 236 2HD1 ILE 58 2HD1 ILE 58 -1.169 -11.007 -3.933 237 3HD1 ILE 58 3HD1 ILE 58 -2.496 -11.944 -3.250 238 H GLY 59 H GLY 59 -4.339 -9.882 -0.188 239 1HA GLY 59 1HA GLY 59 -5.511 -11.626 0.826 240 2HA GLY 59 2HA GLY 59 -3.992 -12.230 1.475 241 H LYS 60 H LYS 60 -4.338 -8.930 1.989 242 HA LYS 60 HA LYS 60 -4.609 -9.305 4.817 243 1HB LYS 60 1HB LYS 60 -3.119 -7.603 3.832 244 2HB LYS 60 2HB LYS 60 -4.514 -6.798 3.130 245 1HG LYS 60 1HG LYS 60 -3.848 -5.582 5.066 246 2HG LYS 60 2HG LYS 60 -5.357 -6.413 5.450 247 1HD LYS 60 1HD LYS 60 -4.258 -8.032 6.757 248 2HD LYS 60 2HD LYS 60 -2.669 -7.589 6.117 249 1HE LYS 60 1HE LYS 60 -3.080 -5.303 7.183 250 2HE LYS 60 2HE LYS 60 -4.406 -6.075 8.046 251 1HZ LYS 60 1HZ LYS 60 -1.530 -6.802 8.186 252 2HZ LYS 60 2HZ LYS 60 -2.771 -7.700 8.915 253 3HZ LYS 60 3HZ LYS 60 -2.466 -6.110 9.417 254 H ASN 61 H ASN 61 -6.647 -10.230 4.983 255 HA ASN 61 HA ASN 61 -8.878 -8.367 4.509 256 1HB ASN 61 1HB ASN 61 -8.871 -11.391 4.378 257 2HB ASN 61 2HB ASN 61 -10.328 -10.408 4.344 258 1HD2 ASN 61 1HD2 ASN 61 -9.180 -8.304 2.738 259 2HD2 ASN 61 2HD2 ASN 61 -9.030 -8.935 1.134 260 H PHE 62 H PHE 62 -8.947 -7.445 6.472 261 HA PHE 62 HA PHE 62 -9.906 -9.059 8.684 262 1HB PHE 62 1HB PHE 62 -7.356 -7.438 8.836 263 2HB PHE 62 2HB PHE 62 -8.260 -7.933 10.262 264 HD1 PHE 62 HD1 PHE 62 -8.471 -10.358 10.798 265 HD2 PHE 62 HD2 PHE 62 -5.928 -8.926 7.699 266 HE1 PHE 62 HE1 PHE 62 -7.255 -12.498 10.811 267 HE2 PHE 62 HE2 PHE 62 -4.705 -11.061 7.711 268 HZ PHE 62 HZ PHE 62 -5.395 -12.864 9.285 269 H PHE 63 H PHE 63 -10.991 -7.765 10.288 270 HA PHE 63 HA PHE 63 -12.217 -5.410 9.385 271 1HB PHE 63 1HB PHE 63 -11.841 -6.472 12.194 272 2HB PHE 63 2HB PHE 63 -12.845 -5.078 11.807 273 HD1 PHE 63 HD1 PHE 63 -14.847 -5.396 10.333 274 HD2 PHE 63 HD2 PHE 63 -12.634 -8.664 11.920 275 HE1 PHE 63 HE1 PHE 63 -16.745 -6.893 9.884 276 HE2 PHE 63 HE2 PHE 63 -14.531 -10.169 11.475 277 HZ PHE 63 HZ PHE 63 -16.595 -9.274 10.453 278 H LYS 64 H LYS 64 -9.586 -5.879 11.711 279 HA LYS 64 HA LYS 64 -8.110 -3.689 10.655 280 1HB LYS 64 1HB LYS 64 -9.781 -2.487 12.080 281 2HB LYS 64 2HB LYS 64 -9.161 -3.366 13.472 282 1HG LYS 64 1HG LYS 64 -6.925 -2.374 13.034 283 2HG LYS 64 2HG LYS 64 -7.656 -1.402 11.758 284 1HD LYS 64 1HD LYS 64 -8.421 -1.349 14.675 285 2HD LYS 64 2HD LYS 64 -7.441 -0.143 13.843 286 1HE LYS 64 1HE LYS 64 -10.320 -0.823 13.249 287 2HE LYS 64 2HE LYS 64 -9.741 0.616 14.085 288 1HZ LYS 64 1HZ LYS 64 -8.348 0.726 11.796 289 2HZ LYS 64 2HZ LYS 64 -9.823 1.516 12.058 290 3HZ LYS 64 3HZ LYS 64 -9.796 0.022 11.256 291 H ASP 65 H ASP 65 -6.006 -4.095 10.980 292 HA ASP 65 HA ASP 65 -4.925 -5.044 13.409 293 1HB ASP 65 1HB ASP 65 -5.801 -7.212 12.731 294 2HB ASP 65 2HB ASP 65 -5.024 -7.063 11.156 295 H VAL 66 H VAL 66 -3.028 -4.081 13.497 296 HA VAL 66 HA VAL 66 -1.245 -4.117 11.223 297 HB VAL 66 HB VAL 66 -2.662 -2.328 10.942 298 1HG1 VAL 66 1HG1 VAL 66 -2.469 -0.360 12.355 299 2HG1 VAL 66 2HG1 VAL 66 -1.426 -1.249 13.464 300 3HG1 VAL 66 3HG1 VAL 66 -3.108 -1.735 13.257 301 1HG2 VAL 66 1HG2 VAL 66 -0.474 -2.339 9.966 302 2HG2 VAL 66 2HG2 VAL 66 0.223 -1.683 11.446 303 3HG2 VAL 66 3HG2 VAL 66 -0.895 -0.709 10.491 304 H ALA 67 H ALA 67 -1.145 -5.387 13.669 305 HA ALA 67 HA ALA 67 0.148 -5.845 15.464 306 1HB ALA 67 1HB ALA 67 2.455 -5.128 15.463 307 2HB ALA 67 2HB ALA 67 2.102 -3.898 14.249 308 3HB ALA 67 3HB ALA 67 1.973 -5.607 13.835 309 HA PRO 68 HA PRO 68 -1.805 -2.724 17.959 310 1HB PRO 68 1HB PRO 68 -0.746 -4.457 20.131 311 2HB PRO 68 2HB PRO 68 -2.389 -3.871 19.852 312 1HG PRO 68 1HG PRO 68 -1.751 -6.394 19.320 313 2HG PRO 68 2HG PRO 68 -2.837 -5.488 18.251 314 1HD PRO 68 1HD PRO 68 0.045 -6.183 17.876 315 2HD PRO 68 2HD PRO 68 -1.270 -6.135 16.685 316 H CYS 69 H CYS 69 1.553 -3.685 18.372 317 HA CYS 69 HA CYS 69 1.959 -1.567 20.330 318 1HB CYS 69 1HB CYS 69 3.881 -3.638 19.273 319 2HB CYS 69 2HB CYS 69 4.251 -2.467 20.532 320 H THR 70 H THR 70 2.233 -1.910 16.954 321 HA THR 70 HA THR 70 4.288 0.198 16.884 322 HB THR 70 HB THR 70 4.503 -0.553 14.608 323 HG1 THR 70 HG1 THR 70 2.605 -1.969 14.779 324 1HG2 THR 70 1HG2 THR 70 6.200 -0.782 16.311 325 2HG2 THR 70 2HG2 THR 70 6.091 -2.265 15.363 326 3HG2 THR 70 3HG2 THR 70 5.377 -2.194 16.975 327 H ASP 71 H ASP 71 4.246 1.519 14.855 328 HA ASP 71 HA ASP 71 1.619 1.848 13.632 329 1HB ASP 71 1HB ASP 71 1.445 4.188 14.055 330 2HB ASP 71 2HB ASP 71 1.778 3.440 15.611 331 H SER 72 H SER 72 1.726 2.944 11.609 332 HA SER 72 HA SER 72 2.599 3.083 9.523 333 1HB SER 72 1HB SER 72 3.684 5.103 10.542 334 2HB SER 72 2HB SER 72 5.099 4.113 10.897 335 HG SER 72 HG SER 72 5.715 4.387 8.913 336 HA PRO 73 HA PRO 73 4.640 -1.023 10.115 337 1HB PRO 73 1HB PRO 73 3.302 -2.198 8.033 338 2HB PRO 73 2HB PRO 73 2.687 -2.129 9.688 339 1HG PRO 73 1HG PRO 73 2.025 -0.392 7.344 340 2HG PRO 73 2HG PRO 73 0.946 -1.070 8.578 341 1HD PRO 73 1HD PRO 73 1.764 1.495 8.650 342 2HD PRO 73 2HD PRO 73 1.495 0.551 10.130 343 H GLU 74 H GLU 74 3.831 0.299 6.904 344 HA GLU 74 HA GLU 74 6.532 0.522 6.093 345 1HB GLU 74 1HB GLU 74 6.386 -1.215 4.257 346 2HB GLU 74 2HB GLU 74 6.577 -1.835 5.889 347 1HG GLU 74 1HG GLU 74 4.049 -2.128 5.906 348 2HG GLU 74 2HG GLU 74 4.120 -1.848 4.167 349 H PHE 75 H PHE 75 3.254 -0.064 4.823 350 HA PHE 75 HA PHE 75 3.691 2.092 2.890 351 1HB PHE 75 1HB PHE 75 1.394 0.129 3.059 352 2HB PHE 75 2HB PHE 75 1.676 1.289 1.765 353 HD1 PHE 75 HD1 PHE 75 1.909 -2.043 2.565 354 HD2 PHE 75 HD2 PHE 75 4.207 1.069 0.794 355 HE1 PHE 75 HE1 PHE 75 3.246 -3.721 1.361 356 HE2 PHE 75 HE2 PHE 75 5.547 -0.604 -0.415 357 HZ PHE 75 HZ PHE 75 5.044 -3.022 -0.133 358 H TYR 76 H TYR 76 3.421 3.944 4.089 359 HA TYR 76 HA TYR 76 0.680 4.600 4.738 360 1HB TYR 76 1HB TYR 76 1.578 3.573 6.838 361 2HB TYR 76 2HB TYR 76 2.804 4.836 6.885 362 HD1 TYR 76 HD1 TYR 76 2.230 7.101 7.523 363 HD2 TYR 76 HD2 TYR 76 -0.762 4.087 7.289 364 HE1 TYR 76 HE1 TYR 76 0.665 8.573 8.717 365 HE2 TYR 76 HE2 TYR 76 -2.338 5.551 8.479 366 HH TYR 76 HH TYR 76 -2.319 7.469 9.977 367 H GLY 77 H GLY 77 0.437 6.448 3.635 368 1HA GLY 77 1HA GLY 77 2.473 8.540 4.083 369 2HA GLY 77 2HA GLY 77 1.758 8.278 2.493 370 H LYS 78 H LYS 78 0.914 9.008 5.864 371 HA LYS 78 HA LYS 78 -0.880 10.027 6.820 372 1HB LYS 78 1HB LYS 78 -0.625 11.543 4.237 373 2HB LYS 78 2HB LYS 78 -1.968 11.875 5.322 374 1HG LYS 78 1HG LYS 78 -0.200 13.452 5.725 375 2HG LYS 78 2HG LYS 78 -0.360 12.384 7.118 376 1HD LYS 78 1HD LYS 78 1.544 11.051 6.265 377 2HD LYS 78 2HD LYS 78 1.723 12.201 4.939 378 1HE LYS 78 1HE LYS 78 3.316 12.721 6.674 379 2HE LYS 78 2HE LYS 78 2.101 13.997 6.590 380 1HZ LYS 78 1HZ LYS 78 2.175 11.783 8.576 381 2HZ LYS 78 2HZ LYS 78 0.976 12.981 8.491 382 3HZ LYS 78 3HZ LYS 78 2.571 13.407 8.872 383 H PHE 79 H PHE 79 -1.315 7.586 5.754 384 HA PHE 79 HA PHE 79 -3.311 7.264 3.851 385 1HB PHE 79 1HB PHE 79 -1.800 5.480 4.760 386 2HB PHE 79 2HB PHE 79 -2.780 5.457 6.219 387 HD1 PHE 79 HD1 PHE 79 -4.790 4.229 6.316 388 HD2 PHE 79 HD2 PHE 79 -2.822 4.809 2.587 389 HE1 PHE 79 HE1 PHE 79 -6.272 2.560 5.280 390 HE2 PHE 79 HE2 PHE 79 -4.304 3.147 1.542 391 HZ PHE 79 HZ PHE 79 -6.029 2.020 2.887 392 H LYS 80 H LYS 80 -3.546 7.869 7.328 393 HA LYS 80 HA LYS 80 -6.252 7.234 7.700 394 1HB LYS 80 1HB LYS 80 -4.647 7.647 9.537 395 2HB LYS 80 2HB LYS 80 -4.611 9.351 9.109 396 1HG LYS 80 1HG LYS 80 -6.980 9.547 9.663 397 2HG LYS 80 2HG LYS 80 -7.024 7.833 10.084 398 1HD LYS 80 1HD LYS 80 -6.805 9.148 12.101 399 2HD LYS 80 2HD LYS 80 -5.305 8.260 11.818 400 1HE LYS 80 1HE LYS 80 -4.364 10.303 10.763 401 2HE LYS 80 2HE LYS 80 -5.829 11.169 11.219 402 1HZ LYS 80 1HZ LYS 80 -3.873 9.912 13.064 403 2HZ LYS 80 2HZ LYS 80 -5.321 10.651 13.553 404 3HZ LYS 80 3HZ LYS 80 -4.102 11.572 12.817 405 H GLU 81 H GLU 81 -4.675 10.118 6.499 406 HA GLU 81 HA GLU 81 -7.149 11.630 6.436 407 1HB GLU 81 1HB GLU 81 -5.158 12.845 7.037 408 2HB GLU 81 2HB GLU 81 -4.316 12.280 5.603 409 1HG GLU 81 1HG GLU 81 -5.648 13.628 4.185 410 2HG GLU 81 2HG GLU 81 -6.760 14.016 5.498 411 H GLY 82 H GLY 82 -4.952 9.992 4.258 412 1HA GLY 82 1HA GLY 82 -5.847 10.884 1.820 413 2HA GLY 82 2HA GLY 82 -5.134 9.322 2.116 414 H VAL 83 H VAL 83 -6.944 8.255 3.822 415 HA VAL 83 HA VAL 83 -8.893 7.266 1.972 416 HB VAL 83 HB VAL 83 -8.585 6.965 4.810 417 1HG1 VAL 83 1HG1 VAL 83 -9.947 4.946 4.457 418 2HG1 VAL 83 2HG1 VAL 83 -10.203 5.418 2.778 419 3HG1 VAL 83 3HG1 VAL 83 -10.852 6.411 4.082 420 1HG2 VAL 83 1HG2 VAL 83 -7.512 4.875 4.177 421 2HG2 VAL 83 2HG2 VAL 83 -6.638 6.271 3.543 422 3HG2 VAL 83 3HG2 VAL 83 -7.663 5.311 2.475 423 H ALA 84 H ALA 84 -9.066 9.238 4.932 424 HA ALA 84 HA ALA 84 -11.923 9.126 4.936 425 1HB ALA 84 1HB ALA 84 -10.667 9.173 7.039 426 2HB ALA 84 2HB ALA 84 -11.801 10.520 6.930 427 3HB ALA 84 3HB ALA 84 -10.082 10.788 6.646 428 H SER 85 H SER 85 -9.489 11.434 3.984 429 HA SER 85 HA SER 85 -11.390 13.492 3.374 430 1HB SER 85 1HB SER 85 -8.543 13.037 2.472 431 2HB SER 85 2HB SER 85 -9.499 14.434 1.974 432 HG SER 85 HG SER 85 -9.781 14.855 4.271 433 H GLY 86 H GLY 86 -10.258 10.624 1.825 434 1HA GLY 86 1HA GLY 86 -11.325 9.462 0.134 435 2HA GLY 86 2HA GLY 86 -12.436 10.813 -0.052 436 H ASN 87 H ASN 87 -8.945 11.050 -0.168 437 HA ASN 87 HA ASN 87 -8.874 11.059 -3.030 438 1HB ASN 87 1HB ASN 87 -8.157 13.408 -3.331 439 2HB ASN 87 2HB ASN 87 -9.814 13.279 -2.758 440 1HD2 ASN 87 1HD2 ASN 87 -10.338 14.053 -0.732 441 2HD2 ASN 87 2HD2 ASN 87 -9.248 15.023 0.207 442 H LEU 88 H LEU 88 -7.500 9.477 -1.447 443 HA LEU 88 HA LEU 88 -4.899 10.447 -0.829 444 1HB LEU 88 1HB LEU 88 -6.297 8.233 -0.155 445 2HB LEU 88 2HB LEU 88 -5.198 7.576 -1.357 446 HG LEU 88 HG LEU 88 -4.393 9.179 1.010 447 1HD1 LEU 88 1HD1 LEU 88 -4.309 6.195 0.592 448 2HD1 LEU 88 2HD1 LEU 88 -5.338 7.065 1.730 449 3HD1 LEU 88 3HD1 LEU 88 -3.590 7.045 1.960 450 1HD2 LEU 88 1HD2 LEU 88 -2.749 7.574 -0.934 451 2HD2 LEU 88 2HD2 LEU 88 -2.126 8.357 0.519 452 3HD2 LEU 88 3HD2 LEU 88 -2.788 9.330 -0.794 453 H ASN 89 H ASN 89 -4.201 11.453 -2.780 454 HA ASN 89 HA ASN 89 -2.930 9.489 -4.507 455 1HB ASN 89 1HB ASN 89 -3.584 10.582 -6.571 456 2HB ASN 89 2HB ASN 89 -5.029 10.157 -5.669 457 1HD2 ASN 89 1HD2 ASN 89 -6.239 11.811 -4.684 458 2HD2 ASN 89 2HD2 ASN 89 -6.120 13.447 -5.220 459 H THR 90 H THR 90 -0.874 9.884 -3.881 460 HA THR 90 HA THR 90 0.355 12.296 -4.753 461 HB THR 90 HB THR 90 -0.747 12.967 -2.815 462 HG1 THR 90 HG1 THR 90 1.765 13.378 -2.006 463 1HG2 THR 90 1HG2 THR 90 -0.578 10.986 -1.445 464 2HG2 THR 90 2HG2 THR 90 0.240 12.333 -0.656 465 3HG2 THR 90 3HG2 THR 90 1.182 11.085 -1.472 466 H MET 91 H MET 91 2.634 12.344 -4.294 467 HA MET 91 HA MET 91 3.732 9.666 -3.814 468 1HB MET 91 1HB MET 91 5.812 10.557 -4.857 469 2HB MET 91 2HB MET 91 4.427 10.542 -5.939 470 1HG MET 91 1HG MET 91 4.107 12.936 -5.548 471 2HG MET 91 2HG MET 91 5.496 12.939 -4.464 472 1HE MET 91 1HE MET 91 6.802 14.900 -7.580 473 2HE MET 91 2HE MET 91 6.584 14.924 -5.831 474 3HE MET 91 3HE MET 91 5.177 14.935 -6.894 475 H PHE 92 H PHE 92 5.093 9.281 -2.194 476 HA PHE 92 HA PHE 92 6.218 11.459 -0.629 477 1HB PHE 92 1HB PHE 92 4.104 11.145 0.497 478 2HB PHE 92 2HB PHE 92 4.304 9.397 0.495 479 HD1 PHE 92 HD1 PHE 92 5.818 12.517 1.816 480 HD2 PHE 92 HD2 PHE 92 5.247 8.334 2.332 481 HE1 PHE 92 HE1 PHE 92 6.865 12.653 4.035 482 HE2 PHE 92 HE2 PHE 92 6.297 8.461 4.554 483 HZ PHE 92 HZ PHE 92 7.107 10.592 5.412 484 H GLU 93 H GLU 93 8.246 10.927 -0.053 485 HA GLU 93 HA GLU 93 9.019 8.156 -0.498 486 1HB GLU 93 1HB GLU 93 11.368 9.026 -0.422 487 2HB GLU 93 2HB GLU 93 10.384 9.605 -1.752 488 1HG GLU 93 1HG GLU 93 9.985 11.683 -0.338 489 2HG GLU 93 2HG GLU 93 11.302 11.094 0.678 490 H TYR 94 H TYR 94 9.800 6.851 0.975 491 HA TYR 94 HA TYR 94 9.490 7.746 3.758 492 1HB TYR 94 1HB TYR 94 7.912 5.992 2.739 493 2HB TYR 94 2HB TYR 94 9.296 4.912 2.727 494 HD1 TYR 94 HD1 TYR 94 9.600 3.505 4.537 495 HD2 TYR 94 HD2 TYR 94 7.395 7.105 5.079 496 HE1 TYR 94 HE1 TYR 94 9.043 2.812 6.829 497 HE2 TYR 94 HE2 TYR 94 6.837 6.425 7.377 498 HH TYR 94 HH TYR 94 8.338 3.729 8.914 499 H THR 95 H THR 95 11.555 8.334 4.227 500 HA THR 95 HA THR 95 13.748 6.570 3.489 501 HB THR 95 HB THR 95 13.885 8.978 5.033 502 HG1 THR 95 HG1 THR 95 12.747 8.799 2.721 503 1HG2 THR 95 1HG2 THR 95 15.895 7.574 4.867 504 2HG2 THR 95 2HG2 THR 95 16.075 9.092 3.987 505 3HG2 THR 95 3HG2 THR 95 15.753 7.595 3.110 506 H PHE 96 H PHE 96 15.184 5.705 4.997 507 HA PHE 96 HA PHE 96 14.032 4.706 7.360 508 1HB PHE 96 1HB PHE 96 16.451 3.967 7.826 509 2HB PHE 96 2HB PHE 96 15.659 3.327 6.392 510 HD1 PHE 96 HD1 PHE 96 18.427 5.255 7.666 511 HD2 PHE 96 HD2 PHE 96 16.235 4.273 4.152 512 HE1 PHE 96 HE1 PHE 96 20.300 6.040 6.280 513 HE2 PHE 96 HE2 PHE 96 18.103 5.056 2.759 514 HZ PHE 96 HZ PHE 96 20.141 5.940 3.825 515 H ASP 97 H ASP 97 13.528 5.966 8.998 516 HA ASP 97 HA ASP 97 15.682 7.439 10.304 517 1HB ASP 97 1HB ASP 97 14.334 9.065 8.918 518 2HB ASP 97 2HB ASP 97 12.937 8.658 9.911 519 H TYR 98 H TYR 98 15.337 5.253 11.319 520 HA TYR 98 HA TYR 98 14.214 5.421 13.847 521 1HB TYR 98 1HB TYR 98 12.073 5.350 12.345 522 2HB TYR 98 2HB TYR 98 12.471 3.649 12.127 523 HD1 TYR 98 HD1 TYR 98 11.264 2.218 13.461 524 HD2 TYR 98 HD2 TYR 98 12.305 6.040 15.008 525 HE1 TYR 98 HE1 TYR 98 10.105 1.677 15.561 526 HE2 TYR 98 HE2 TYR 98 11.143 5.514 17.110 527 HH TYR 98 HH TYR 98 9.223 3.949 17.810 528 H GLN 99 H GLN 99 13.385 2.542 13.890 529 HA GLN 99 HA GLN 99 16.002 1.381 13.961 530 1HB GLN 99 1HB GLN 99 14.844 -0.675 14.675 531 2HB GLN 99 2HB GLN 99 14.375 0.723 15.626 532 1HG GLN 99 1HG GLN 99 12.313 -0.099 15.306 533 2HG GLN 99 2HG GLN 99 12.431 0.769 13.777 534 1HE2 GLN 99 1HE2 GLN 99 12.603 -0.379 11.877 535 2HE2 GLN 99 2HE2 GLN 99 12.409 -2.093 11.791 536 H MET 100 H MET 100 13.930 1.978 11.485 537 HA MET 100 HA MET 100 14.180 -0.379 9.919 538 1HB MET 100 1HB MET 100 12.425 1.314 9.524 539 2HB MET 100 2HB MET 100 13.656 2.476 9.052 540 1HG MET 100 1HG MET 100 12.599 1.565 7.095 541 2HG MET 100 2HG MET 100 14.279 1.038 7.168 542 1HE MET 100 1HE MET 100 11.199 -0.376 9.241 543 2HE MET 100 2HE MET 100 10.645 -1.641 8.142 544 3HE MET 100 3HE MET 100 10.542 0.052 7.661 545 H THR 101 H THR 101 15.730 -0.982 8.501 546 HA THR 101 HA THR 101 18.275 0.337 8.712 547 HB THR 101 HB THR 101 18.857 -1.386 7.143 548 HG1 THR 101 HG1 THR 101 17.323 -3.059 7.040 549 1HG2 THR 101 1HG2 THR 101 17.731 -1.984 9.871 550 2HG2 THR 101 2HG2 THR 101 19.363 -1.418 9.516 551 3HG2 THR 101 3HG2 THR 101 18.848 -3.018 8.978 552 HA PRO 102 HA PRO 102 18.587 2.697 5.027 553 1HB PRO 102 1HB PRO 102 20.648 0.888 3.883 554 2HB PRO 102 2HB PRO 102 20.703 2.632 4.164 555 1HG PRO 102 1HG PRO 102 22.017 0.971 5.769 556 2HG PRO 102 2HG PRO 102 21.172 2.386 6.426 557 1HD PRO 102 1HD PRO 102 20.357 -0.492 6.452 558 2HD PRO 102 2HD PRO 102 20.183 0.743 7.717 559 H THR 103 H THR 103 16.471 1.943 4.356 560 HA THR 103 HA THR 103 16.682 0.920 1.616 561 HB THR 103 HB THR 103 14.554 0.365 3.485 562 HG1 THR 103 HG1 THR 103 16.580 -0.761 3.889 563 1HG2 THR 103 1HG2 THR 103 13.823 0.525 1.169 564 2HG2 THR 103 2HG2 THR 103 13.829 -1.152 1.713 565 3HG2 THR 103 3HG2 THR 103 15.123 -0.559 0.674 566 H LYS 104 H LYS 104 16.416 2.910 0.675 567 HA LYS 104 HA LYS 104 14.298 4.655 1.670 568 1HB LYS 104 1HB LYS 104 16.516 5.630 1.229 569 2HB LYS 104 2HB LYS 104 16.377 5.174 -0.463 570 1HG LYS 104 1HG LYS 104 14.539 6.680 -0.780 571 2HG LYS 104 2HG LYS 104 14.480 7.034 0.946 572 1HD LYS 104 1HD LYS 104 16.738 8.008 0.801 573 2HD LYS 104 2HD LYS 104 16.744 7.698 -0.938 574 1HE LYS 104 1HE LYS 104 14.665 9.377 0.451 575 2HE LYS 104 2HE LYS 104 16.138 10.045 -0.247 576 1HZ LYS 104 1HZ LYS 104 15.454 9.502 -2.392 577 2HZ LYS 104 2HZ LYS 104 14.034 10.074 -1.655 578 3HZ LYS 104 3HZ LYS 104 14.281 8.404 -1.862 579 H VAL 105 H VAL 105 12.364 4.102 0.963 580 HA VAL 105 HA VAL 105 11.991 3.646 -1.912 581 HB VAL 105 HB VAL 105 9.989 2.665 -1.355 582 1HG1 VAL 105 1HG1 VAL 105 11.993 1.360 -1.827 583 2HG1 VAL 105 2HG1 VAL 105 11.011 0.578 -0.588 584 3HG1 VAL 105 3HG1 VAL 105 12.468 1.461 -0.130 585 1HG2 VAL 105 1HG2 VAL 105 11.003 2.891 1.467 586 2HG2 VAL 105 2HG2 VAL 105 9.636 1.907 0.947 587 3HG2 VAL 105 3HG2 VAL 105 9.562 3.663 0.800 588 H LYS 106 H LYS 106 9.832 4.349 -2.713 589 HA LYS 106 HA LYS 106 8.608 6.443 -1.085 590 1HB LYS 106 1HB LYS 106 8.645 8.121 -2.779 591 2HB LYS 106 2HB LYS 106 10.292 7.566 -2.549 592 1HG LYS 106 1HG LYS 106 10.112 6.204 -4.575 593 2HG LYS 106 2HG LYS 106 8.461 6.785 -4.805 594 1HD LYS 106 1HD LYS 106 10.976 8.454 -4.802 595 2HD LYS 106 2HD LYS 106 9.975 8.062 -6.200 596 1HE LYS 106 1HE LYS 106 8.122 9.322 -5.264 597 2HE LYS 106 2HE LYS 106 9.054 9.645 -3.802 598 1HZ LYS 106 1HZ LYS 106 9.133 11.554 -5.222 599 2HZ LYS 106 2HZ LYS 106 9.655 10.631 -6.542 600 3HZ LYS 106 3HZ LYS 106 10.673 10.850 -5.201 601 H VAL 107 H VAL 107 6.471 6.873 -1.554 602 HA VAL 107 HA VAL 107 5.204 4.765 -3.143 603 HB VAL 107 HB VAL 107 3.210 5.499 -2.164 604 1HG1 VAL 107 1HG1 VAL 107 4.426 3.528 -1.413 605 2HG1 VAL 107 2HG1 VAL 107 3.733 4.376 -0.031 606 3HG1 VAL 107 3HG1 VAL 107 5.454 4.528 -0.387 607 1HG2 VAL 107 1HG2 VAL 107 3.891 7.745 -1.493 608 2HG2 VAL 107 2HG2 VAL 107 5.026 7.049 -0.335 609 3HG2 VAL 107 3HG2 VAL 107 3.295 6.790 -0.135 610 H HIS 108 H HIS 108 3.958 5.177 -4.842 611 HA HIS 108 HA HIS 108 2.937 7.923 -5.088 612 1HB HIS 108 1HB HIS 108 4.385 7.150 -7.022 613 2HB HIS 108 2HB HIS 108 3.187 5.898 -7.334 614 HD1 HIS 108 HD1 HIS 108 2.056 6.628 -9.431 615 HD2 HIS 108 HD2 HIS 108 2.528 9.752 -6.719 616 HE1 HIS 108 HE1 HIS 108 0.854 8.595 -10.439 617 HE2 HIS 108 HE2 HIS 108 1.000 10.417 -8.701 618 H MET 109 H MET 109 1.067 7.816 -4.075 619 HA MET 109 HA MET 109 -0.580 5.402 -4.372 620 1HB MET 109 1HB MET 109 -0.657 7.618 -2.308 621 2HB MET 109 2HB MET 109 -1.821 6.304 -2.393 622 1HG MET 109 1HG MET 109 -0.051 4.686 -1.992 623 2HG MET 109 2HG MET 109 1.136 5.986 -1.944 624 1HE MET 109 1HE MET 109 1.926 4.907 0.400 625 2HE MET 109 2HE MET 109 0.623 3.721 0.369 626 3HE MET 109 3HE MET 109 0.863 4.729 1.795 627 H LYS 110 H LYS 110 -2.741 5.578 -4.997 628 HA LYS 110 HA LYS 110 -3.707 8.215 -5.677 629 1HB LYS 110 1HB LYS 110 -4.125 7.733 -8.020 630 2HB LYS 110 2HB LYS 110 -2.406 7.604 -7.679 631 1HG LYS 110 1HG LYS 110 -2.536 5.203 -7.686 632 2HG LYS 110 2HG LYS 110 -4.291 5.265 -7.856 633 1HD LYS 110 1HD LYS 110 -3.949 6.469 -10.028 634 2HD LYS 110 2HD LYS 110 -2.220 6.147 -9.864 635 1HE LYS 110 1HE LYS 110 -2.673 3.747 -9.817 636 2HE LYS 110 2HE LYS 110 -4.401 4.063 -9.966 637 1HZ LYS 110 1HZ LYS 110 -3.919 5.154 -12.116 638 2HZ LYS 110 2HZ LYS 110 -3.531 3.509 -12.103 639 3HZ LYS 110 3HZ LYS 110 -2.299 4.666 -11.976 640 H LYS 111 H LYS 111 -5.757 8.285 -5.084 641 HA LYS 111 HA LYS 111 -7.415 6.183 -4.554 642 1HB LYS 111 1HB LYS 111 -7.861 8.462 -3.960 643 2HB LYS 111 2HB LYS 111 -7.936 8.936 -5.644 644 1HG LYS 111 1HG LYS 111 -9.959 7.551 -5.924 645 2HG LYS 111 2HG LYS 111 -9.899 7.161 -4.203 646 1HD LYS 111 1HD LYS 111 -10.174 9.490 -3.628 647 2HD LYS 111 2HD LYS 111 -10.105 9.948 -5.330 648 1HE LYS 111 1HE LYS 111 -12.164 8.700 -5.753 649 2HE LYS 111 2HE LYS 111 -12.220 8.201 -4.063 650 1HZ LYS 111 1HZ LYS 111 -13.687 10.058 -4.421 651 2HZ LYS 111 2HZ LYS 111 -12.435 10.984 -5.086 652 3HZ LYS 111 3HZ LYS 111 -12.397 10.558 -3.448 653 H ALA 112 H ALA 112 -7.843 4.558 -5.831 654 HA ALA 112 HA ALA 112 -7.404 4.295 -8.520 655 1HB ALA 112 1HB ALA 112 -9.504 2.888 -6.872 656 2HB ALA 112 2HB ALA 112 -7.815 2.409 -7.037 657 3HB ALA 112 3HB ALA 112 -8.889 2.351 -8.434 658 H LEU 113 H LEU 113 -8.480 4.921 -10.332 659 HA LEU 113 HA LEU 113 -10.477 6.917 -10.055 660 1HB LEU 113 1HB LEU 113 -9.177 5.581 -12.395 661 2HB LEU 113 2HB LEU 113 -10.574 6.607 -12.648 662 HG LEU 113 HG LEU 113 -8.523 7.844 -13.048 663 1HD1 LEU 113 1HD1 LEU 113 -8.906 9.743 -11.563 664 2HD1 LEU 113 2HD1 LEU 113 -9.881 8.723 -10.503 665 3HD1 LEU 113 3HD1 LEU 113 -10.425 9.062 -12.145 666 1HD2 LEU 113 1HD2 LEU 113 -6.987 6.619 -11.641 667 2HD2 LEU 113 2HD2 LEU 113 -7.824 7.174 -10.193 668 3HD2 LEU 113 3HD2 LEU 113 -6.959 8.329 -11.208 669 H SER 114 H SER 114 -10.756 3.600 -10.006 670 HA SER 114 HA SER 114 -13.330 3.344 -11.200 671 1HB SER 114 1HB SER 114 -13.309 1.203 -9.721 672 2HB SER 114 2HB SER 114 -12.142 1.330 -11.037 673 HG SER 114 HG SER 114 -11.584 0.860 -8.557 674 H GLY 115 H GLY 115 -12.137 3.821 -7.879 675 1HA GLY 115 1HA GLY 115 -13.687 5.564 -6.783 676 2HA GLY 115 2HA GLY 115 -14.912 4.336 -7.041 677 H ASP 116 H ASP 116 -13.494 5.666 -4.670 678 HA ASP 116 HA ASP 116 -12.836 5.136 -2.557 679 1HB ASP 116 1HB ASP 116 -15.134 3.303 -3.144 680 2HB ASP 116 2HB ASP 116 -14.399 3.369 -1.543 681 H SER 117 H SER 117 -10.926 4.179 -4.012 682 HA SER 117 HA SER 117 -9.880 2.101 -2.348 683 1HB SER 117 1HB SER 117 -9.104 0.847 -4.499 684 2HB SER 117 2HB SER 117 -10.693 0.520 -3.812 685 HG SER 117 HG SER 117 -11.500 2.128 -5.341 686 H TYR 118 H TYR 118 -7.528 1.944 -2.693 687 HA TYR 118 HA TYR 118 -6.461 4.272 -4.138 688 1HB TYR 118 1HB TYR 118 -5.692 3.673 -1.271 689 2HB TYR 118 2HB TYR 118 -5.197 5.054 -2.254 690 HD1 TYR 118 HD1 TYR 118 -7.687 3.686 -0.088 691 HD2 TYR 118 HD2 TYR 118 -6.870 6.777 -2.859 692 HE1 TYR 118 HE1 TYR 118 -9.590 4.966 0.808 693 HE2 TYR 118 HE2 TYR 118 -8.777 8.084 -1.986 694 HH TYR 118 HH TYR 118 -10.847 7.731 -0.747 695 H TRP 119 H TRP 119 -4.518 3.935 -5.110 696 HA TRP 119 HA TRP 119 -3.397 1.273 -4.870 697 1HB TRP 119 1HB TRP 119 -2.880 3.587 -6.725 698 2HB TRP 119 2HB TRP 119 -1.939 2.083 -6.757 699 HD1 TRP 119 HD1 TRP 119 -5.661 3.190 -7.148 700 HE1 TRP 119 HE1 TRP 119 -6.744 1.546 -8.838 701 HE3 TRP 119 HE3 TRP 119 -1.675 0.124 -7.967 702 HZ2 TRP 119 HZ2 TRP 119 -5.966 -0.772 -10.297 703 HZ3 TRP 119 HZ3 TRP 119 -1.895 -1.742 -9.495 704 HH2 TRP 119 HH2 TRP 119 -3.998 -2.195 -10.663 705 H VAL 120 H VAL 120 -1.130 0.982 -4.818 706 HA VAL 120 HA VAL 120 0.458 3.070 -3.505 707 HB VAL 120 HB VAL 120 0.298 0.290 -2.766 708 1HG1 VAL 120 1HG1 VAL 120 2.538 1.252 -2.552 709 2HG1 VAL 120 2HG1 VAL 120 1.810 0.983 -0.969 710 3HG1 VAL 120 3HG1 VAL 120 1.873 2.611 -1.646 711 1HG2 VAL 120 1HG2 VAL 120 -0.606 1.140 -0.664 712 2HG2 VAL 120 2HG2 VAL 120 -1.673 1.478 -2.027 713 3HG2 VAL 120 3HG2 VAL 120 -0.670 2.764 -1.352 714 H PHE 121 H PHE 121 1.705 3.353 -5.344 715 HA PHE 121 HA PHE 121 3.166 1.023 -6.391 716 1HB PHE 121 1HB PHE 121 3.189 3.904 -7.333 717 2HB PHE 121 2HB PHE 121 3.986 2.559 -8.128 718 HD1 PHE 121 HD1 PHE 121 0.695 3.997 -7.276 719 HD2 PHE 121 HD2 PHE 121 2.814 1.149 -9.620 720 HE1 PHE 121 HE1 PHE 121 -1.336 3.582 -8.599 721 HE2 PHE 121 HE2 PHE 121 0.785 0.730 -10.946 722 HZ PHE 121 HZ PHE 121 -1.263 1.990 -10.493 723 H VAL 122 H VAL 122 5.011 0.550 -5.303 724 HA VAL 122 HA VAL 122 6.486 2.803 -4.108 725 HB VAL 122 HB VAL 122 7.503 1.266 -2.746 726 1HG1 VAL 122 1HG1 VAL 122 5.589 2.595 -2.044 727 2HG1 VAL 122 2HG1 VAL 122 5.540 0.990 -1.315 728 3HG1 VAL 122 3HG1 VAL 122 4.492 1.369 -2.683 729 1HG2 VAL 122 1HG2 VAL 122 7.261 -0.764 -4.042 730 2HG2 VAL 122 2HG2 VAL 122 5.506 -0.667 -3.902 731 3HG2 VAL 122 3HG2 VAL 122 6.492 -0.941 -2.466 732 H LYS 123 H LYS 123 8.730 2.910 -4.233 733 HA LYS 123 HA LYS 123 10.206 0.851 -5.560 734 1HB LYS 123 1HB LYS 123 11.065 2.241 -7.402 735 2HB LYS 123 2HB LYS 123 9.340 1.949 -7.536 736 1HG LYS 123 1HG LYS 123 8.909 4.196 -6.635 737 2HG LYS 123 2HG LYS 123 10.651 4.484 -6.577 738 1HD LYS 123 1HD LYS 123 10.769 4.085 -9.012 739 2HD LYS 123 2HD LYS 123 9.019 3.879 -9.045 740 1HE LYS 123 1HE LYS 123 8.729 6.171 -8.261 741 2HE LYS 123 2HE LYS 123 10.480 6.379 -8.206 742 1HZ LYS 123 1HZ LYS 123 9.655 7.317 -10.232 743 2HZ LYS 123 2HZ LYS 123 8.817 5.894 -10.624 744 3HZ LYS 123 3HZ LYS 123 10.512 5.903 -10.624 745 H ARG 124 H ARG 124 12.415 1.034 -5.292 746 HA ARG 124 HA ARG 124 13.091 2.768 -3.063 747 1HB ARG 124 1HB ARG 124 15.220 1.342 -3.049 748 2HB ARG 124 2HB ARG 124 13.710 0.574 -2.587 749 1HG ARG 124 1HG ARG 124 13.539 -0.440 -4.806 750 2HG ARG 124 2HG ARG 124 15.051 0.343 -5.278 751 1HD ARG 124 1HD ARG 124 16.277 -0.886 -3.625 752 2HD ARG 124 2HD ARG 124 14.791 -1.548 -2.948 753 HE ARG 124 HE ARG 124 14.658 -2.490 -5.439 754 1HH1 ARG 124 1HH1 ARG 124 17.432 -2.277 -3.316 755 2HH1 ARG 124 2HH1 ARG 124 18.121 -3.781 -3.840 756 1HH2 ARG 124 1HH2 ARG 124 15.562 -4.491 -6.140 757 2HH2 ARG 124 2HH2 ARG 124 17.068 -5.033 -5.448 758 H VAL 125 H VAL 125 13.684 4.719 -3.635 759 HA VAL 125 HA VAL 125 16.062 4.995 -5.273 760 HB VAL 125 HB VAL 125 14.477 5.305 -6.755 761 1HG1 VAL 125 1HG1 VAL 125 12.720 6.997 -6.541 762 2HG1 VAL 125 2HG1 VAL 125 13.193 7.265 -4.863 763 3HG1 VAL 125 3HG1 VAL 125 12.541 5.703 -5.358 764 1HG2 VAL 125 1HG2 VAL 125 15.567 7.939 -5.808 765 2HG2 VAL 125 2HG2 VAL 125 14.895 7.623 -7.407 766 3HG2 VAL 125 3HG2 VAL 125 16.361 6.791 -6.887 767 H2 HC4 169 H2 HC4 169 3.275 -5.856 23.645 768 H3 HC4 169 H3 HC4 169 4.754 -6.374 25.145 769 H2' HC4 169 H2' HC4 169 6.838 -6.366 26.362 770 H3' HC4 169 H3' HC4 169 9.208 -5.799 26.645 771 H5' HC4 169 H5' HC4 169 8.996 -3.295 23.206 772 H6' HC4 169 H6' HC4 169 6.662 -3.955 22.878 773 'HO4 HC4 169 'HO4 HC4 169 11.073 -4.885 25.426 Start of MODEL 5 1 H LEU 26 H LEU 26 6.714 -5.885 -13.328 2 HA LEU 26 HA LEU 26 8.346 -4.441 -14.395 3 1HB LEU 26 1HB LEU 26 6.811 -3.634 -16.165 4 2HB LEU 26 2HB LEU 26 5.911 -2.740 -14.956 5 HG LEU 26 HG LEU 26 7.987 -1.408 -14.498 6 1HD1 LEU 26 1HD1 LEU 26 9.756 -1.441 -16.187 7 2HD1 LEU 26 2HD1 LEU 26 8.973 -2.807 -16.979 8 3HD1 LEU 26 3HD1 LEU 26 9.626 -2.989 -15.351 9 1HD2 LEU 26 1HD2 LEU 26 7.762 -0.012 -16.486 10 2HD2 LEU 26 2HD2 LEU 26 6.185 -0.556 -15.913 11 3HD2 LEU 26 3HD2 LEU 26 6.924 -1.320 -17.320 12 H ALA 27 H ALA 27 9.363 -3.730 -12.684 13 HA ALA 27 HA ALA 27 9.899 -2.671 -10.765 14 1HB ALA 27 1HB ALA 27 8.634 -0.772 -9.989 15 2HB ALA 27 2HB ALA 27 7.254 -1.243 -10.981 16 3HB ALA 27 3HB ALA 27 8.754 -0.721 -11.748 17 H PHE 28 H PHE 28 9.743 -2.997 -8.581 18 HA PHE 28 HA PHE 28 7.603 -4.819 -7.715 19 1HB PHE 28 1HB PHE 28 10.344 -4.252 -6.568 20 2HB PHE 28 2HB PHE 28 9.147 -5.267 -5.774 21 HD1 PHE 28 HD1 PHE 28 11.473 -4.994 -8.591 22 HD2 PHE 28 HD2 PHE 28 8.652 -7.467 -6.585 23 HE1 PHE 28 HE1 PHE 28 12.299 -6.945 -9.839 24 HE2 PHE 28 HE2 PHE 28 9.473 -9.423 -7.829 25 HZ PHE 28 HZ PHE 28 11.300 -9.162 -9.459 26 H GLY 29 H GLY 29 5.944 -3.712 -6.874 27 1HA GLY 29 1HA GLY 29 5.683 -2.689 -4.474 28 2HA GLY 29 2HA GLY 29 6.519 -1.345 -5.234 29 H ALA 30 H ALA 30 4.273 -3.183 -7.160 30 HA ALA 30 HA ALA 30 2.489 -0.835 -7.029 31 1HB ALA 30 1HB ALA 30 1.762 -1.420 -9.291 32 2HB ALA 30 2HB ALA 30 2.827 -2.826 -9.284 33 3HB ALA 30 3HB ALA 30 3.511 -1.201 -9.229 34 H ILE 31 H ILE 31 0.895 -1.309 -5.626 35 HA ILE 31 HA ILE 31 -0.713 -3.685 -6.180 36 HB ILE 31 HB ILE 31 0.570 -4.296 -4.532 37 1HG1 ILE 31 1HG1 ILE 31 -2.187 -3.582 -3.637 38 2HG1 ILE 31 2HG1 ILE 31 -1.621 -5.077 -4.374 39 1HG2 ILE 31 1HG2 ILE 31 0.650 -3.104 -2.365 40 2HG2 ILE 31 2HG2 ILE 31 -0.211 -1.761 -3.118 41 3HG2 ILE 31 3HG2 ILE 31 1.399 -2.204 -3.684 42 1HD1 ILE 31 1HD1 ILE 31 -0.880 -4.059 -1.645 43 2HD1 ILE 31 2HD1 ILE 31 -0.277 -5.540 -2.388 44 3HD1 ILE 31 3HD1 ILE 31 -1.991 -5.380 -2.005 45 H GLN 32 H GLN 32 -2.886 -3.460 -5.845 46 HA GLN 32 HA GLN 32 -3.751 -0.725 -5.188 47 1HB GLN 32 1HB GLN 32 -5.021 -0.652 -7.037 48 2HB GLN 32 2HB GLN 32 -4.057 -2.007 -7.588 49 1HG GLN 32 1HG GLN 32 -6.082 -2.885 -7.971 50 2HG GLN 32 2HG GLN 32 -5.942 -3.350 -6.274 51 1HE2 GLN 32 1HE2 GLN 32 -7.512 -1.288 -8.573 52 2HE2 GLN 32 2HE2 GLN 32 -8.698 -0.636 -7.492 53 H LEU 33 H LEU 33 -5.147 -0.467 -3.566 54 HA LEU 33 HA LEU 33 -6.582 -2.839 -2.577 55 1HB LEU 33 1HB LEU 33 -6.072 -2.096 -0.247 56 2HB LEU 33 2HB LEU 33 -4.710 -2.725 -1.149 57 HG LEU 33 HG LEU 33 -4.179 -0.229 -1.634 58 1HD1 LEU 33 1HD1 LEU 33 -6.250 0.704 -0.752 59 2HD1 LEU 33 2HD1 LEU 33 -4.852 1.297 0.145 60 3HD1 LEU 33 3HD1 LEU 33 -5.878 0.042 0.840 61 1HD2 LEU 33 1HD2 LEU 33 -2.805 -1.742 -0.297 62 2HD2 LEU 33 2HD2 LEU 33 -3.806 -1.404 1.115 63 3HD2 LEU 33 3HD2 LEU 33 -2.839 -0.119 0.391 64 H ASP 34 H ASP 34 -8.364 -2.360 -1.165 65 HA ASP 34 HA ASP 34 -9.883 -0.149 -2.228 66 1HB ASP 34 1HB ASP 34 -11.719 -0.966 -0.781 67 2HB ASP 34 2HB ASP 34 -11.076 -2.213 -1.838 68 H GLY 35 H GLY 35 -10.988 1.396 -0.927 69 1HA GLY 35 1HA GLY 35 -9.157 2.694 0.862 70 2HA GLY 35 2HA GLY 35 -10.728 3.297 0.357 71 H ASP 36 H ASP 36 -10.284 0.147 1.765 72 HA ASP 36 HA ASP 36 -11.531 1.117 4.251 73 1HB ASP 36 1HB ASP 36 -12.712 -0.535 2.435 74 2HB ASP 36 2HB ASP 36 -11.951 -1.705 3.514 75 H GLY 37 H GLY 37 -9.253 -1.062 2.705 76 1HA GLY 37 1HA GLY 37 -7.095 -1.003 4.045 77 2HA GLY 37 2HA GLY 37 -8.090 -1.599 5.365 78 H ASN 38 H ASN 38 -8.823 -2.747 2.190 79 HA ASN 38 HA ASN 38 -7.354 -5.248 2.755 80 1HB ASN 38 1HB ASN 38 -10.040 -5.109 1.381 81 2HB ASN 38 2HB ASN 38 -9.180 -6.549 1.915 82 1HD2 ASN 38 1HD2 ASN 38 -11.204 -3.922 2.821 83 2HD2 ASN 38 2HD2 ASN 38 -11.549 -4.465 4.430 84 H ILE 39 H ILE 39 -6.796 -6.489 0.882 85 HA ILE 39 HA ILE 39 -5.916 -4.756 -1.251 86 HB ILE 39 HB ILE 39 -5.703 -7.599 -0.854 87 1HG1 ILE 39 1HG1 ILE 39 -4.646 -6.486 0.944 88 2HG1 ILE 39 2HG1 ILE 39 -3.402 -7.006 -0.180 89 1HG2 ILE 39 1HG2 ILE 39 -3.858 -7.400 -2.472 90 2HG2 ILE 39 2HG2 ILE 39 -4.275 -5.704 -2.726 91 3HG2 ILE 39 3HG2 ILE 39 -5.410 -6.971 -3.194 92 1HD1 ILE 39 1HD1 ILE 39 -3.235 -4.733 -1.045 93 2HD1 ILE 39 2HD1 ILE 39 -2.937 -4.793 0.692 94 3HD1 ILE 39 3HD1 ILE 39 -4.487 -4.213 0.079 95 H LEU 40 H LEU 40 -6.644 -4.765 -3.346 96 HA LEU 40 HA LEU 40 -8.899 -6.569 -3.944 97 1HB LEU 40 1HB LEU 40 -8.117 -3.962 -5.264 98 2HB LEU 40 2HB LEU 40 -9.446 -4.984 -5.773 99 HG LEU 40 HG LEU 40 -9.227 -3.550 -3.132 100 1HD1 LEU 40 1HD1 LEU 40 -11.137 -2.255 -3.971 101 2HD1 LEU 40 2HD1 LEU 40 -11.015 -3.094 -5.517 102 3HD1 LEU 40 3HD1 LEU 40 -9.703 -2.046 -4.977 103 1HD2 LEU 40 1HD2 LEU 40 -11.503 -4.345 -2.730 104 2HD2 LEU 40 2HD2 LEU 40 -10.378 -5.692 -2.905 105 3HD2 LEU 40 3HD2 LEU 40 -11.452 -5.262 -4.235 106 H GLN 41 H GLN 41 -6.078 -5.036 -5.452 107 HA GLN 41 HA GLN 41 -5.585 -7.552 -6.881 108 1HB GLN 41 1HB GLN 41 -6.624 -6.053 -8.491 109 2HB GLN 41 2HB GLN 41 -5.470 -4.786 -8.099 110 1HG GLN 41 1HG GLN 41 -4.916 -5.871 -10.204 111 2HG GLN 41 2HG GLN 41 -3.657 -6.128 -8.999 112 1HE2 GLN 41 1HE2 GLN 41 -2.857 -7.944 -9.990 113 2HE2 GLN 41 2HE2 GLN 41 -3.709 -9.450 -10.015 114 H TYR 42 H TYR 42 -3.686 -8.295 -6.303 115 HA TYR 42 HA TYR 42 -1.564 -6.406 -5.540 116 1HB TYR 42 1HB TYR 42 -2.155 -7.989 -3.770 117 2HB TYR 42 2HB TYR 42 -1.921 -9.341 -4.869 118 HD1 TYR 42 HD1 TYR 42 -0.161 -10.574 -4.005 119 HD2 TYR 42 HD2 TYR 42 0.229 -6.341 -4.255 120 HE1 TYR 42 HE1 TYR 42 2.185 -10.751 -3.290 121 HE2 TYR 42 HE2 TYR 42 2.579 -6.511 -3.540 122 HH TYR 42 HH TYR 42 4.255 -9.485 -3.424 123 H ASN 43 H ASN 43 -0.041 -6.086 -7.009 124 HA ASN 43 HA ASN 43 0.230 -8.022 -9.190 125 1HB ASN 43 1HB ASN 43 1.161 -5.149 -8.988 126 2HB ASN 43 2HB ASN 43 1.407 -6.191 -10.385 127 1HD2 ASN 43 1HD2 ASN 43 -0.053 -3.662 -10.101 128 2HD2 ASN 43 2HD2 ASN 43 -1.651 -3.979 -10.673 129 H ALA 44 H ALA 44 1.622 -9.545 -8.542 130 HA ALA 44 HA ALA 44 4.206 -8.670 -7.439 131 1HB ALA 44 1HB ALA 44 2.937 -10.163 -5.972 132 2HB ALA 44 2HB ALA 44 4.435 -10.915 -6.521 133 3HB ALA 44 3HB ALA 44 2.896 -11.383 -7.247 134 H ALA 45 H ALA 45 6.113 -9.488 -8.282 135 HA ALA 45 HA ALA 45 5.873 -10.488 -11.029 136 1HB ALA 45 1HB ALA 45 7.134 -8.413 -10.767 137 2HB ALA 45 2HB ALA 45 8.174 -9.719 -11.334 138 3HB ALA 45 3HB ALA 45 8.234 -9.216 -9.646 139 H GLU 46 H GLU 46 6.791 -12.361 -11.667 140 HA GLU 46 HA GLU 46 7.685 -14.431 -11.598 141 1HB GLU 46 1HB GLU 46 9.138 -13.381 -9.165 142 2HB GLU 46 2HB GLU 46 9.438 -14.954 -9.895 143 1HG GLU 46 1HG GLU 46 10.114 -13.873 -11.972 144 2HG GLU 46 2HG GLU 46 9.791 -12.292 -11.263 145 H GLY 47 H GLY 47 8.020 -16.347 -9.820 146 1HA GLY 47 1HA GLY 47 5.347 -16.523 -8.613 147 2HA GLY 47 2HA GLY 47 6.333 -17.888 -9.109 148 H ASP 48 H ASP 48 5.875 -18.757 -7.008 149 HA ASP 48 HA ASP 48 6.880 -17.410 -4.690 150 1HB ASP 48 1HB ASP 48 6.334 -19.562 -3.511 151 2HB ASP 48 2HB ASP 48 4.983 -18.807 -4.344 152 H ILE 49 H ILE 49 8.978 -17.037 -5.420 153 HA ILE 49 HA ILE 49 10.763 -19.311 -4.854 154 HB ILE 49 HB ILE 49 12.378 -17.992 -6.028 155 1HG1 ILE 49 1HG1 ILE 49 9.854 -16.755 -7.128 156 2HG1 ILE 49 2HG1 ILE 49 11.118 -15.913 -6.236 157 1HG2 ILE 49 1HG2 ILE 49 11.652 -19.031 -8.126 158 2HG2 ILE 49 2HG2 ILE 49 10.064 -19.328 -7.416 159 3HG2 ILE 49 3HG2 ILE 49 11.492 -20.122 -6.749 160 1HD1 ILE 49 1HD1 ILE 49 11.268 -15.524 -8.638 161 2HD1 ILE 49 2HD1 ILE 49 11.465 -17.255 -8.906 162 3HD1 ILE 49 3HD1 ILE 49 12.696 -16.352 -8.024 163 H THR 50 H THR 50 10.231 -15.844 -4.589 164 HA THR 50 HA THR 50 12.296 -15.652 -2.534 165 HB THR 50 HB THR 50 12.328 -14.108 -4.159 166 HG1 THR 50 HG1 THR 50 11.493 -13.212 -1.589 167 1HG2 THR 50 1HG2 THR 50 10.134 -13.924 -4.986 168 2HG2 THR 50 2HG2 THR 50 10.495 -12.375 -4.231 169 3HG2 THR 50 3HG2 THR 50 9.482 -13.545 -3.389 170 H GLY 51 H GLY 51 10.393 -17.218 -1.657 171 1HA GLY 51 1HA GLY 51 9.401 -17.189 0.556 172 2HA GLY 51 2HA GLY 51 8.829 -15.560 0.213 173 H ARG 52 H ARG 52 7.932 -18.747 0.383 174 HA ARG 52 HA ARG 52 6.072 -18.760 -1.814 175 1HB ARG 52 1HB ARG 52 6.758 -20.683 0.368 176 2HB ARG 52 2HB ARG 52 5.253 -20.889 -0.518 177 1HG ARG 52 1HG ARG 52 6.616 -20.831 -2.630 178 2HG ARG 52 2HG ARG 52 8.049 -20.925 -1.608 179 1HD ARG 52 1HD ARG 52 7.611 -23.089 -0.965 180 2HD ARG 52 2HD ARG 52 5.873 -22.927 -1.227 181 HE ARG 52 HE ARG 52 6.848 -22.693 -3.725 182 1HH1 ARG 52 1HH1 ARG 52 7.408 -25.068 -1.199 183 2HH1 ARG 52 2HH1 ARG 52 7.706 -26.368 -2.316 184 1HH2 ARG 52 1HH2 ARG 52 7.207 -24.412 -5.188 185 2HH2 ARG 52 2HH2 ARG 52 7.570 -26.000 -4.582 186 H ASP 53 H ASP 53 4.439 -17.391 -1.703 187 HA ASP 53 HA ASP 53 2.735 -17.482 0.700 188 1HB ASP 53 1HB ASP 53 3.748 -15.227 -0.039 189 2HB ASP 53 2HB ASP 53 2.650 -15.325 -1.412 190 HA PRO 54 HA PRO 54 -0.015 -19.646 -2.070 191 1HB PRO 54 1HB PRO 54 -2.130 -19.861 -0.399 192 2HB PRO 54 2HB PRO 54 -0.670 -20.839 -0.212 193 1HG PRO 54 1HG PRO 54 -1.485 -18.354 1.247 194 2HG PRO 54 2HG PRO 54 -0.767 -19.843 1.889 195 1HD PRO 54 1HD PRO 54 0.675 -17.591 1.408 196 2HD PRO 54 2HD PRO 54 1.362 -19.223 1.282 197 H LYS 55 H LYS 55 -0.311 -16.462 -1.044 198 HA LYS 55 HA LYS 55 -2.759 -16.097 -2.648 199 1HB LYS 55 1HB LYS 55 -1.889 -14.280 -0.403 200 2HB LYS 55 2HB LYS 55 -3.441 -14.311 -1.231 201 1HG LYS 55 1HG LYS 55 -3.953 -16.469 -0.247 202 2HG LYS 55 2HG LYS 55 -2.376 -16.499 0.544 203 1HD LYS 55 1HD LYS 55 -4.630 -14.563 1.046 204 2HD LYS 55 2HD LYS 55 -4.035 -15.811 2.140 205 1HE LYS 55 1HE LYS 55 -2.554 -13.349 1.225 206 2HE LYS 55 2HE LYS 55 -3.205 -13.653 2.832 207 1HZ LYS 55 1HZ LYS 55 -1.658 -15.592 2.951 208 2HZ LYS 55 2HZ LYS 55 -0.899 -14.080 2.907 209 3HZ LYS 55 3HZ LYS 55 -0.934 -15.044 1.515 210 H GLN 56 H GLN 56 -1.641 -15.703 -4.559 211 HA GLN 56 HA GLN 56 0.396 -13.673 -4.697 212 1HB GLN 56 1HB GLN 56 -1.116 -15.078 -6.911 213 2HB GLN 56 2HB GLN 56 0.303 -14.063 -7.131 214 1HG GLN 56 1HG GLN 56 1.620 -15.631 -5.784 215 2HG GLN 56 2HG GLN 56 0.200 -16.662 -5.611 216 1HE2 GLN 56 1HE2 GLN 56 2.680 -15.533 -7.742 217 2HE2 GLN 56 2HE2 GLN 56 2.407 -16.679 -9.006 218 H VAL 57 H VAL 57 -3.015 -13.806 -4.882 219 HA VAL 57 HA VAL 57 -3.077 -10.930 -5.501 220 HB VAL 57 HB VAL 57 -5.218 -12.799 -5.879 221 1HG1 VAL 57 1HG1 VAL 57 -5.948 -10.528 -5.667 222 2HG1 VAL 57 2HG1 VAL 57 -6.008 -10.974 -7.370 223 3HG1 VAL 57 3HG1 VAL 57 -4.687 -9.975 -6.768 224 1HG2 VAL 57 1HG2 VAL 57 -3.409 -13.512 -7.305 225 2HG2 VAL 57 2HG2 VAL 57 -3.190 -11.858 -7.880 226 3HG2 VAL 57 3HG2 VAL 57 -4.676 -12.732 -8.254 227 H ILE 58 H ILE 58 -4.678 -9.726 -4.275 228 HA ILE 58 HA ILE 58 -5.314 -9.043 -2.222 229 HB ILE 58 HB ILE 58 -7.194 -9.629 -3.201 230 1HG1 ILE 58 1HG1 ILE 58 -7.140 -10.469 -0.313 231 2HG1 ILE 58 2HG1 ILE 58 -7.253 -8.819 -0.914 232 1HG2 ILE 58 1HG2 ILE 58 -8.305 -11.775 -2.865 233 2HG2 ILE 58 2HG2 ILE 58 -6.871 -12.394 -2.048 234 3HG2 ILE 58 3HG2 ILE 58 -6.797 -11.967 -3.758 235 1HD1 ILE 58 1HD1 ILE 58 -9.289 -10.992 -1.336 236 2HD1 ILE 58 2HD1 ILE 58 -9.405 -9.335 -1.929 237 3HD1 ILE 58 3HD1 ILE 58 -9.415 -9.655 -0.193 238 H GLY 59 H GLY 59 -3.298 -9.578 -1.303 239 1HA GLY 59 1HA GLY 59 -2.913 -11.883 0.304 240 2HA GLY 59 2HA GLY 59 -2.014 -10.376 0.427 241 H LYS 60 H LYS 60 -4.496 -8.819 0.844 242 HA LYS 60 HA LYS 60 -4.802 -9.454 3.680 243 1HB LYS 60 1HB LYS 60 -4.035 -7.206 3.205 244 2HB LYS 60 2HB LYS 60 -5.372 -6.953 2.092 245 1HG LYS 60 1HG LYS 60 -5.798 -5.804 4.168 246 2HG LYS 60 2HG LYS 60 -6.944 -7.134 3.984 247 1HD LYS 60 1HD LYS 60 -5.549 -8.520 5.454 248 2HD LYS 60 2HD LYS 60 -4.440 -7.163 5.671 249 1HE LYS 60 1HE LYS 60 -7.339 -7.287 6.481 250 2HE LYS 60 2HE LYS 60 -5.944 -7.301 7.554 251 1HZ LYS 60 1HZ LYS 60 -6.965 -5.129 7.482 252 2HZ LYS 60 2HZ LYS 60 -6.761 -5.044 5.797 253 3HZ LYS 60 3HZ LYS 60 -5.409 -5.058 6.814 254 H ASN 61 H ASN 61 -6.293 -11.101 3.517 255 HA ASN 61 HA ASN 61 -8.912 -10.424 2.391 256 1HB ASN 61 1HB ASN 61 -7.889 -12.662 1.857 257 2HB ASN 61 2HB ASN 61 -8.025 -13.076 3.562 258 1HD2 ASN 61 1HD2 ASN 61 -9.224 -14.363 1.265 259 2HD2 ASN 61 2HD2 ASN 61 -10.938 -14.321 1.523 260 H PHE 62 H PHE 62 -9.939 -9.151 3.789 261 HA PHE 62 HA PHE 62 -10.764 -10.266 6.324 262 1HB PHE 62 1HB PHE 62 -8.502 -8.875 6.513 263 2HB PHE 62 2HB PHE 62 -9.602 -7.505 6.452 264 HD1 PHE 62 HD1 PHE 62 -10.933 -6.912 8.334 265 HD2 PHE 62 HD2 PHE 62 -8.642 -10.498 8.360 266 HE1 PHE 62 HE1 PHE 62 -11.316 -7.138 10.754 267 HE2 PHE 62 HE2 PHE 62 -9.018 -10.727 10.777 268 HZ PHE 62 HZ PHE 62 -10.360 -9.047 11.977 269 H PHE 63 H PHE 63 -12.360 -8.573 7.360 270 HA PHE 63 HA PHE 63 -13.964 -7.445 5.221 271 1HB PHE 63 1HB PHE 63 -15.026 -8.631 7.139 272 2HB PHE 63 2HB PHE 63 -14.450 -7.355 8.207 273 HD1 PHE 63 HD1 PHE 63 -15.935 -5.682 8.738 274 HD2 PHE 63 HD2 PHE 63 -16.358 -7.714 5.025 275 HE1 PHE 63 HE1 PHE 63 -17.963 -4.372 8.258 276 HE2 PHE 63 HE2 PHE 63 -18.384 -6.409 4.534 277 HZ PHE 63 HZ PHE 63 -19.190 -4.735 6.151 278 H LYS 64 H LYS 64 -12.870 -6.139 8.332 279 HA LYS 64 HA LYS 64 -11.296 -4.096 7.200 280 1HB LYS 64 1HB LYS 64 -12.608 -2.136 7.927 281 2HB LYS 64 2HB LYS 64 -13.423 -3.037 6.660 282 1HG LYS 64 1HG LYS 64 -14.817 -4.117 8.418 283 2HG LYS 64 2HG LYS 64 -14.070 -3.034 9.596 284 1HD LYS 64 1HD LYS 64 -16.221 -2.151 8.852 285 2HD LYS 64 2HD LYS 64 -14.901 -1.099 8.340 286 1HE LYS 64 1HE LYS 64 -14.975 -2.035 6.109 287 2HE LYS 64 2HE LYS 64 -16.219 -3.181 6.605 288 1HZ LYS 64 1HZ LYS 64 -17.173 -1.321 5.429 289 2HZ LYS 64 2HZ LYS 64 -16.500 -0.226 6.532 290 3HZ LYS 64 3HZ LYS 64 -17.696 -1.311 7.040 291 H ASP 65 H ASP 65 -10.008 -3.127 8.781 292 HA ASP 65 HA ASP 65 -10.505 -3.742 11.573 293 1HB ASP 65 1HB ASP 65 -8.518 -5.071 11.900 294 2HB ASP 65 2HB ASP 65 -9.463 -5.822 10.616 295 H VAL 66 H VAL 66 -8.564 -3.050 12.902 296 HA VAL 66 HA VAL 66 -7.035 -0.893 11.635 297 HB VAL 66 HB VAL 66 -7.090 0.196 13.728 298 1HG1 VAL 66 1HG1 VAL 66 -9.615 -0.111 12.112 299 2HG1 VAL 66 2HG1 VAL 66 -8.280 0.993 11.777 300 3HG1 VAL 66 3HG1 VAL 66 -9.273 1.219 13.218 301 1HG2 VAL 66 1HG2 VAL 66 -8.988 -0.230 15.174 302 2HG2 VAL 66 2HG2 VAL 66 -7.925 -1.637 15.103 303 3HG2 VAL 66 3HG2 VAL 66 -9.437 -1.626 14.195 304 H ALA 67 H ALA 67 -6.173 -3.545 12.028 305 HA ALA 67 HA ALA 67 -3.920 -3.107 13.789 306 1HB ALA 67 1HB ALA 67 -5.845 -5.344 14.402 307 2HB ALA 67 2HB ALA 67 -5.627 -3.881 15.363 308 3HB ALA 67 3HB ALA 67 -4.306 -5.040 15.207 309 HA PRO 68 HA PRO 68 -2.587 -5.821 10.340 310 1HB PRO 68 1HB PRO 68 -0.052 -4.425 10.852 311 2HB PRO 68 2HB PRO 68 -0.945 -4.598 9.338 312 1HG PRO 68 1HG PRO 68 -0.784 -2.245 10.638 313 2HG PRO 68 2HG PRO 68 -2.231 -2.724 9.729 314 1HD PRO 68 1HD PRO 68 -1.736 -2.797 12.685 315 2HD PRO 68 2HD PRO 68 -3.198 -2.307 11.800 316 H CYS 69 H CYS 69 -2.505 -7.734 11.420 317 HA CYS 69 HA CYS 69 -1.092 -8.055 13.874 318 1HB CYS 69 1HB CYS 69 -2.680 -9.879 12.113 319 2HB CYS 69 2HB CYS 69 -1.687 -10.556 13.402 320 H THR 70 H THR 70 -0.673 -9.917 10.848 321 HA THR 70 HA THR 70 1.990 -10.634 11.726 322 HB THR 70 HB THR 70 1.953 -11.710 9.559 323 HG1 THR 70 HG1 THR 70 0.213 -11.236 8.442 324 1HG2 THR 70 1HG2 THR 70 1.787 -12.798 11.736 325 2HG2 THR 70 2HG2 THR 70 0.717 -13.550 10.554 326 3HG2 THR 70 3HG2 THR 70 0.057 -12.461 11.775 327 H ASP 71 H ASP 71 0.481 -8.831 9.095 328 HA ASP 71 HA ASP 71 2.701 -8.438 7.473 329 1HB ASP 71 1HB ASP 71 0.390 -6.528 7.871 330 2HB ASP 71 2HB ASP 71 1.455 -6.604 6.470 331 H SER 72 H SER 72 4.558 -7.574 7.982 332 HA SER 72 HA SER 72 4.735 -5.560 10.067 333 1HB SER 72 1HB SER 72 6.906 -7.032 8.565 334 2HB SER 72 2HB SER 72 7.169 -5.935 9.923 335 HG SER 72 HG SER 72 5.313 -7.931 10.372 336 HA PRO 73 HA PRO 73 6.691 -3.199 6.197 337 1HB PRO 73 1HB PRO 73 4.987 -4.435 4.101 338 2HB PRO 73 2HB PRO 73 6.669 -3.905 4.016 339 1HG PRO 73 1HG PRO 73 6.071 -6.491 4.128 340 2HG PRO 73 2HG PRO 73 7.467 -5.843 5.010 341 1HD PRO 73 1HD PRO 73 4.765 -6.614 6.035 342 2HD PRO 73 2HD PRO 73 6.365 -6.865 6.766 343 H GLU 74 H GLU 74 5.708 -1.374 6.800 344 HA GLU 74 HA GLU 74 2.807 -1.090 6.396 345 1HB GLU 74 1HB GLU 74 4.685 0.539 8.121 346 2HB GLU 74 2HB GLU 74 2.933 0.705 8.054 347 1HG GLU 74 1HG GLU 74 2.568 -1.252 9.210 348 2HG GLU 74 2HG GLU 74 4.139 -1.925 8.779 349 H PHE 75 H PHE 75 2.521 -0.305 4.380 350 HA PHE 75 HA PHE 75 4.218 1.944 3.528 351 1HB PHE 75 1HB PHE 75 2.721 -0.122 1.925 352 2HB PHE 75 2HB PHE 75 3.406 1.331 1.205 353 HD1 PHE 75 HD1 PHE 75 4.062 -1.995 2.402 354 HD2 PHE 75 HD2 PHE 75 5.879 1.700 1.328 355 HE1 PHE 75 HE1 PHE 75 6.235 -3.130 2.172 356 HE2 PHE 75 HE2 PHE 75 8.052 0.571 1.093 357 HZ PHE 75 HZ PHE 75 8.230 -1.850 1.515 358 H TYR 76 H TYR 76 1.651 1.884 5.152 359 HA TYR 76 HA TYR 76 -0.208 3.334 3.479 360 1HB TYR 76 1HB TYR 76 -0.223 2.811 6.464 361 2HB TYR 76 2HB TYR 76 -1.540 3.550 5.559 362 HD1 TYR 76 HD1 TYR 76 0.183 0.429 6.354 363 HD2 TYR 76 HD2 TYR 76 -2.917 2.205 4.049 364 HE1 TYR 76 HE1 TYR 76 -0.760 -1.801 5.918 365 HE2 TYR 76 HE2 TYR 76 -3.872 -0.018 3.604 366 HH TYR 76 HH TYR 76 -2.890 -2.806 5.293 367 H GLY 77 H GLY 77 -0.085 5.475 3.115 368 1HA GLY 77 1HA GLY 77 1.789 7.002 4.803 369 2HA GLY 77 2HA GLY 77 1.382 7.385 3.134 370 H LYS 78 H LYS 78 0.354 7.549 6.462 371 HA LYS 78 HA LYS 78 -1.264 8.736 7.543 372 1HB LYS 78 1HB LYS 78 -1.119 10.489 5.076 373 2HB LYS 78 2HB LYS 78 -1.884 10.934 6.595 374 1HG LYS 78 1HG LYS 78 1.050 10.384 6.174 375 2HG LYS 78 2HG LYS 78 0.301 11.967 6.389 376 1HD LYS 78 1HD LYS 78 -0.514 11.151 8.630 377 2HD LYS 78 2HD LYS 78 0.506 9.731 8.398 378 1HE LYS 78 1HE LYS 78 1.440 12.599 8.471 379 2HE LYS 78 2HE LYS 78 1.628 11.416 9.764 380 1HZ LYS 78 1HZ LYS 78 3.662 11.615 8.520 381 2HZ LYS 78 2HZ LYS 78 2.866 11.275 7.067 382 3HZ LYS 78 3HZ LYS 78 3.000 10.077 8.256 383 H PHE 79 H PHE 79 -2.136 6.514 6.268 384 HA PHE 79 HA PHE 79 -3.985 6.762 4.199 385 1HB PHE 79 1HB PHE 79 -2.904 4.644 4.996 386 2HB PHE 79 2HB PHE 79 -4.000 4.656 6.372 387 HD1 PHE 79 HD1 PHE 79 -6.239 3.905 6.163 388 HD2 PHE 79 HD2 PHE 79 -3.797 4.348 2.707 389 HE1 PHE 79 HE1 PHE 79 -7.907 2.684 4.829 390 HE2 PHE 79 HE2 PHE 79 -5.464 3.134 1.367 391 HZ PHE 79 HZ PHE 79 -7.521 2.303 2.426 392 H LYS 80 H LYS 80 -4.339 7.386 7.586 393 HA LYS 80 HA LYS 80 -7.159 6.953 7.764 394 1HB LYS 80 1HB LYS 80 -5.328 8.566 9.551 395 2HB LYS 80 2HB LYS 80 -6.979 8.103 9.941 396 1HG LYS 80 1HG LYS 80 -6.358 5.759 9.931 397 2HG LYS 80 2HG LYS 80 -4.712 6.181 9.450 398 1HD LYS 80 1HD LYS 80 -4.467 7.470 11.541 399 2HD LYS 80 2HD LYS 80 -6.080 6.947 12.028 400 1HE LYS 80 1HE LYS 80 -3.772 5.102 11.431 401 2HE LYS 80 2HE LYS 80 -4.262 5.610 13.045 402 1HZ LYS 80 1HZ LYS 80 -5.122 3.408 12.360 403 2HZ LYS 80 2HZ LYS 80 -6.052 4.169 11.160 404 3HZ LYS 80 3HZ LYS 80 -6.337 4.507 12.795 405 H GLU 81 H GLU 81 -5.091 9.676 7.053 406 HA GLU 81 HA GLU 81 -7.344 11.502 6.910 407 1HB GLU 81 1HB GLU 81 -5.195 12.325 7.757 408 2HB GLU 81 2HB GLU 81 -4.418 11.895 6.242 409 1HG GLU 81 1HG GLU 81 -4.886 14.297 6.447 410 2HG GLU 81 2HG GLU 81 -5.682 13.558 5.059 411 H GLY 82 H GLY 82 -5.387 9.530 4.837 412 1HA GLY 82 1HA GLY 82 -5.816 10.723 2.392 413 2HA GLY 82 2HA GLY 82 -5.516 9.018 2.642 414 H VAL 83 H VAL 83 -7.720 8.428 4.202 415 HA VAL 83 HA VAL 83 -9.728 7.969 2.244 416 HB VAL 83 HB VAL 83 -9.801 7.921 5.115 417 1HG1 VAL 83 1HG1 VAL 83 -12.040 7.998 4.136 418 2HG1 VAL 83 2HG1 VAL 83 -11.690 6.387 4.759 419 3HG1 VAL 83 3HG1 VAL 83 -11.609 6.698 3.026 420 1HG2 VAL 83 1HG2 VAL 83 -8.060 6.509 4.246 421 2HG2 VAL 83 2HG2 VAL 83 -9.164 5.835 3.044 422 3HG2 VAL 83 3HG2 VAL 83 -9.424 5.513 4.760 423 H ALA 84 H ALA 84 -9.477 10.209 4.976 424 HA ALA 84 HA ALA 84 -12.163 11.160 4.636 425 1HB ALA 84 1HB ALA 84 -9.974 12.217 6.420 426 2HB ALA 84 2HB ALA 84 -11.149 10.978 6.862 427 3HB ALA 84 3HB ALA 84 -11.688 12.620 6.515 428 H SER 85 H SER 85 -8.971 12.174 3.695 429 HA SER 85 HA SER 85 -9.597 14.768 2.804 430 1HB SER 85 1HB SER 85 -7.629 12.764 1.671 431 2HB SER 85 2HB SER 85 -7.719 14.450 1.161 432 HG SER 85 HG SER 85 -7.513 13.928 3.903 433 H GLY 86 H GLY 86 -10.254 11.617 1.438 434 1HA GLY 86 1HA GLY 86 -12.386 11.379 0.351 435 2HA GLY 86 2HA GLY 86 -12.178 12.986 -0.323 436 H ASN 87 H ASN 87 -9.253 11.813 -0.697 437 HA ASN 87 HA ASN 87 -9.490 9.964 -2.792 438 1HB ASN 87 1HB ASN 87 -8.921 11.403 -4.730 439 2HB ASN 87 2HB ASN 87 -10.509 11.759 -4.072 440 1HD2 ASN 87 1HD2 ASN 87 -10.828 13.726 -2.974 441 2HD2 ASN 87 2HD2 ASN 87 -9.739 15.055 -3.170 442 H LEU 88 H LEU 88 -7.966 9.612 -0.886 443 HA LEU 88 HA LEU 88 -5.497 10.501 -0.427 444 1HB LEU 88 1HB LEU 88 -6.739 8.286 0.216 445 2HB LEU 88 2HB LEU 88 -5.770 7.601 -1.074 446 HG LEU 88 HG LEU 88 -4.693 9.094 1.257 447 1HD1 LEU 88 1HD1 LEU 88 -5.753 7.055 2.022 448 2HD1 LEU 88 2HD1 LEU 88 -4.001 6.893 2.132 449 3HD1 LEU 88 3HD1 LEU 88 -4.876 6.122 0.810 450 1HD2 LEU 88 1HD2 LEU 88 -3.204 9.143 -0.655 451 2HD2 LEU 88 2HD2 LEU 88 -3.306 7.389 -0.793 452 3HD2 LEU 88 3HD2 LEU 88 -2.536 8.118 0.615 453 H ASN 89 H ASN 89 -4.284 11.476 -2.022 454 HA ASN 89 HA ASN 89 -3.006 9.617 -3.842 455 1HB ASN 89 1HB ASN 89 -3.461 10.781 -5.837 456 2HB ASN 89 2HB ASN 89 -5.006 10.737 -4.998 457 1HD2 ASN 89 1HD2 ASN 89 -5.747 12.651 -3.950 458 2HD2 ASN 89 2HD2 ASN 89 -5.216 14.207 -4.497 459 H THR 90 H THR 90 -0.990 9.754 -2.985 460 HA THR 90 HA THR 90 0.245 12.414 -2.975 461 HB THR 90 HB THR 90 1.454 11.573 -1.045 462 HG1 THR 90 HG1 THR 90 0.665 9.585 -0.661 463 1HG2 THR 90 1HG2 THR 90 -1.386 12.554 -0.922 464 2HG2 THR 90 2HG2 THR 90 0.064 13.548 -1.058 465 3HG2 THR 90 3HG2 THR 90 -0.226 12.606 0.404 466 H MET 91 H MET 91 2.486 12.446 -3.195 467 HA MET 91 HA MET 91 3.843 9.869 -3.429 468 1HB MET 91 1HB MET 91 5.067 10.507 -5.421 469 2HB MET 91 2HB MET 91 3.345 10.525 -5.744 470 1HG MET 91 1HG MET 91 4.893 13.010 -5.078 471 2HG MET 91 2HG MET 91 4.734 12.399 -6.722 472 1HE MET 91 1HE MET 91 3.886 15.340 -5.800 473 2HE MET 91 2HE MET 91 2.360 15.519 -6.671 474 3HE MET 91 3HE MET 91 3.743 14.753 -7.456 475 H PHE 92 H PHE 92 5.898 9.857 -2.688 476 HA PHE 92 HA PHE 92 7.334 12.240 -2.000 477 1HB PHE 92 1HB PHE 92 5.607 12.246 -0.233 478 2HB PHE 92 2HB PHE 92 6.055 10.607 0.216 479 HD1 PHE 92 HD1 PHE 92 7.243 14.108 0.127 480 HD2 PHE 92 HD2 PHE 92 7.831 10.199 1.705 481 HE1 PHE 92 HE1 PHE 92 8.865 15.007 1.741 482 HE2 PHE 92 HE2 PHE 92 9.461 11.094 3.318 483 HZ PHE 92 HZ PHE 92 9.977 13.498 3.340 484 H GLU 93 H GLU 93 9.486 11.743 -1.648 485 HA GLU 93 HA GLU 93 10.169 8.921 -1.904 486 1HB GLU 93 1HB GLU 93 11.899 11.406 -1.957 487 2HB GLU 93 2HB GLU 93 12.491 9.769 -2.203 488 1HG GLU 93 1HG GLU 93 11.209 9.541 -4.213 489 2HG GLU 93 2HG GLU 93 10.422 11.095 -3.935 490 H TYR 94 H TYR 94 10.403 7.766 -0.123 491 HA TYR 94 HA TYR 94 11.093 9.172 2.368 492 1HB TYR 94 1HB TYR 94 8.711 8.468 2.222 493 2HB TYR 94 2HB TYR 94 9.240 6.801 2.034 494 HD1 TYR 94 HD1 TYR 94 9.809 5.481 3.920 495 HD2 TYR 94 HD2 TYR 94 9.164 9.659 4.381 496 HE1 TYR 94 HE1 TYR 94 9.798 5.200 6.363 497 HE2 TYR 94 HE2 TYR 94 9.152 9.393 6.826 498 HH TYR 94 HH TYR 94 10.235 6.628 8.386 499 H THR 95 H THR 95 13.089 8.606 2.949 500 HA THR 95 HA THR 95 14.075 5.929 2.440 501 HB THR 95 HB THR 95 15.847 6.716 3.880 502 HG1 THR 95 HG1 THR 95 14.334 8.614 4.454 503 1HG2 THR 95 1HG2 THR 95 16.825 7.878 1.974 504 2HG2 THR 95 2HG2 THR 95 15.233 7.995 1.225 505 3HG2 THR 95 3HG2 THR 95 15.979 6.414 1.468 506 H PHE 96 H PHE 96 14.659 4.440 4.031 507 HA PHE 96 HA PHE 96 12.849 4.349 6.235 508 1HB PHE 96 1HB PHE 96 15.107 2.558 5.351 509 2HB PHE 96 2HB PHE 96 14.192 2.253 6.823 510 HD1 PHE 96 HD1 PHE 96 12.006 1.350 6.757 511 HD2 PHE 96 HD2 PHE 96 13.968 2.472 3.152 512 HE1 PHE 96 HE1 PHE 96 10.265 0.201 5.454 513 HE2 PHE 96 HE2 PHE 96 12.234 1.319 1.844 514 HZ PHE 96 HZ PHE 96 10.375 0.184 2.995 515 H ASP 97 H ASP 97 13.366 4.278 8.465 516 HA ASP 97 HA ASP 97 15.094 6.424 9.181 517 1HB ASP 97 1HB ASP 97 12.920 5.827 10.317 518 2HB ASP 97 2HB ASP 97 13.751 4.454 11.041 519 H TYR 98 H TYR 98 15.077 3.324 10.865 520 HA TYR 98 HA TYR 98 17.828 2.794 10.122 521 1HB TYR 98 1HB TYR 98 16.984 3.341 12.962 522 2HB TYR 98 2HB TYR 98 18.367 2.316 12.595 523 HD1 TYR 98 HD1 TYR 98 20.273 3.328 11.236 524 HD2 TYR 98 HD2 TYR 98 17.199 5.670 13.009 525 HE1 TYR 98 HE1 TYR 98 21.714 5.318 11.093 526 HE2 TYR 98 HE2 TYR 98 18.625 7.664 12.863 527 HH TYR 98 HH TYR 98 21.106 8.132 12.791 528 H GLN 99 H GLN 99 16.840 1.062 9.035 529 HA GLN 99 HA GLN 99 15.687 -1.031 10.749 530 1HB GLN 99 1HB GLN 99 15.779 -1.301 7.778 531 2HB GLN 99 2HB GLN 99 14.546 -1.835 8.912 532 1HG GLN 99 1HG GLN 99 15.019 1.011 8.051 533 2HG GLN 99 2HG GLN 99 13.756 -0.048 7.434 534 1HE2 GLN 99 1HE2 GLN 99 13.121 -1.217 10.007 535 2HE2 GLN 99 2HE2 GLN 99 12.297 0.007 10.915 536 H MET 100 H MET 100 18.049 -0.446 8.216 537 HA MET 100 HA MET 100 20.174 -1.757 9.408 538 1HB MET 100 1HB MET 100 18.898 -3.838 8.944 539 2HB MET 100 2HB MET 100 18.879 -3.425 7.235 540 1HG MET 100 1HG MET 100 20.584 -5.104 7.824 541 2HG MET 100 2HG MET 100 21.252 -3.653 7.083 542 1HE MET 100 1HE MET 100 20.537 -5.441 10.518 543 2HE MET 100 2HE MET 100 19.973 -3.791 10.781 544 3HE MET 100 3HE MET 100 21.396 -4.386 11.638 545 H THR 101 H THR 101 18.689 -1.461 6.212 546 HA THR 101 HA THR 101 21.057 0.042 5.315 547 HB THR 101 HB THR 101 18.938 -1.157 3.773 548 HG1 THR 101 HG1 THR 101 20.722 -2.733 3.421 549 1HG2 THR 101 1HG2 THR 101 20.570 -0.953 1.964 550 2HG2 THR 101 2HG2 THR 101 21.681 -0.126 3.058 551 3HG2 THR 101 3HG2 THR 101 20.143 0.623 2.629 552 HA PRO 102 HA PRO 102 18.299 3.611 5.120 553 1HB PRO 102 1HB PRO 102 20.288 4.816 3.334 554 2HB PRO 102 2HB PRO 102 19.788 5.323 4.950 555 1HG PRO 102 1HG PRO 102 22.221 4.265 4.463 556 2HG PRO 102 2HG PRO 102 21.364 4.008 5.995 557 1HD PRO 102 1HD PRO 102 21.622 2.174 3.637 558 2HD PRO 102 2HD PRO 102 21.729 1.802 5.371 559 H THR 103 H THR 103 17.290 1.731 3.600 560 HA THR 103 HA THR 103 17.499 1.890 0.832 561 HB THR 103 HB THR 103 15.073 1.399 2.266 562 HG1 THR 103 HG1 THR 103 16.712 -0.734 1.835 563 1HG2 THR 103 1HG2 THR 103 14.770 -0.227 0.482 564 2HG2 THR 103 2HG2 THR 103 16.316 0.243 -0.228 565 3HG2 THR 103 3HG2 THR 103 14.978 1.392 -0.182 566 H LYS 104 H LYS 104 16.685 3.210 -0.686 567 HA LYS 104 HA LYS 104 14.986 5.418 0.226 568 1HB LYS 104 1HB LYS 104 17.190 6.043 -0.702 569 2HB LYS 104 2HB LYS 104 16.762 5.250 -2.210 570 1HG LYS 104 1HG LYS 104 14.858 6.816 -2.446 571 2HG LYS 104 2HG LYS 104 15.426 7.660 -1.004 572 1HD LYS 104 1HD LYS 104 17.527 8.186 -2.102 573 2HD LYS 104 2HD LYS 104 17.037 7.268 -3.528 574 1HE LYS 104 1HE LYS 104 16.730 9.647 -3.902 575 2HE LYS 104 2HE LYS 104 15.172 8.822 -3.873 576 1HZ LYS 104 1HZ LYS 104 15.250 10.954 -2.622 577 2HZ LYS 104 2HZ LYS 104 16.322 10.228 -1.524 578 3HZ LYS 104 3HZ LYS 104 14.752 9.628 -1.699 579 H VAL 105 H VAL 105 12.935 4.781 -0.105 580 HA VAL 105 HA VAL 105 12.243 3.900 -2.806 581 HB VAL 105 HB VAL 105 10.267 3.152 -1.963 582 1HG1 VAL 105 1HG1 VAL 105 11.226 1.198 -0.819 583 2HG1 VAL 105 2HG1 VAL 105 12.756 2.058 -0.660 584 3HG1 VAL 105 3HG1 VAL 105 12.138 1.643 -2.259 585 1HG2 VAL 105 1HG2 VAL 105 9.959 2.873 0.429 586 2HG2 VAL 105 2HG2 VAL 105 10.046 4.578 -0.013 587 3HG2 VAL 105 3HG2 VAL 105 11.435 3.788 0.733 588 H LYS 106 H LYS 106 10.170 4.685 -3.588 589 HA LYS 106 HA LYS 106 9.401 7.205 -2.296 590 1HB LYS 106 1HB LYS 106 9.015 8.289 -4.382 591 2HB LYS 106 2HB LYS 106 10.635 7.619 -4.439 592 1HG LYS 106 1HG LYS 106 9.910 5.833 -5.865 593 2HG LYS 106 2HG LYS 106 8.222 6.327 -5.690 594 1HD LYS 106 1HD LYS 106 8.849 8.530 -6.685 595 2HD LYS 106 2HD LYS 106 10.450 7.865 -7.013 596 1HE LYS 106 1HE LYS 106 9.456 6.137 -8.412 597 2HE LYS 106 2HE LYS 106 7.846 6.765 -8.057 598 1HZ LYS 106 1HZ LYS 106 8.637 7.553 -10.198 599 2HZ LYS 106 2HZ LYS 106 10.005 8.245 -9.465 600 3HZ LYS 106 3HZ LYS 106 8.462 8.850 -9.119 601 H VAL 107 H VAL 107 7.249 7.601 -2.116 602 HA VAL 107 HA VAL 107 5.587 5.265 -2.741 603 HB VAL 107 HB VAL 107 3.968 6.304 -1.380 604 1HG1 VAL 107 1HG1 VAL 107 5.120 5.515 0.657 605 2HG1 VAL 107 2HG1 VAL 107 6.648 5.497 -0.224 606 3HG1 VAL 107 3HG1 VAL 107 5.345 4.406 -0.696 607 1HG2 VAL 107 1HG2 VAL 107 4.704 7.917 0.248 608 2HG2 VAL 107 2HG2 VAL 107 4.877 8.578 -1.380 609 3HG2 VAL 107 3HG2 VAL 107 6.297 7.999 -0.505 610 H HIS 108 H HIS 108 3.861 5.370 -3.988 611 HA HIS 108 HA HIS 108 2.601 7.970 -4.351 612 1HB HIS 108 1HB HIS 108 4.063 7.394 -6.378 613 2HB HIS 108 2HB HIS 108 2.936 6.077 -6.683 614 HD1 HIS 108 HD1 HIS 108 2.606 7.496 -8.985 615 HD2 HIS 108 HD2 HIS 108 1.089 9.188 -5.507 616 HE1 HIS 108 HE1 HIS 108 0.973 9.252 -9.743 617 HE2 HIS 108 HE2 HIS 108 0.258 10.419 -7.619 618 H MET 109 H MET 109 0.898 7.526 -3.190 619 HA MET 109 HA MET 109 -0.655 5.121 -3.856 620 1HB MET 109 1HB MET 109 -1.690 5.403 -1.577 621 2HB MET 109 2HB MET 109 0.003 4.942 -1.560 622 1HG MET 109 1HG MET 109 -0.832 7.806 -1.298 623 2HG MET 109 2HG MET 109 -0.803 6.723 0.090 624 1HE MET 109 1HE MET 109 2.962 5.700 0.268 625 2HE MET 109 2HE MET 109 1.609 4.849 -0.481 626 3HE MET 109 3HE MET 109 1.401 5.628 1.087 627 H LYS 110 H LYS 110 -2.655 5.472 -4.706 628 HA LYS 110 HA LYS 110 -3.710 8.169 -4.525 629 1HB LYS 110 1HB LYS 110 -3.767 8.571 -6.890 630 2HB LYS 110 2HB LYS 110 -2.107 8.217 -6.432 631 1HG LYS 110 1HG LYS 110 -2.279 5.992 -7.333 632 2HG LYS 110 2HG LYS 110 -3.998 6.215 -7.659 633 1HD LYS 110 1HD LYS 110 -1.726 7.737 -8.931 634 2HD LYS 110 2HD LYS 110 -2.703 6.485 -9.697 635 1HE LYS 110 1HE LYS 110 -3.730 9.125 -8.662 636 2HE LYS 110 2HE LYS 110 -3.414 8.742 -10.353 637 1HZ LYS 110 1HZ LYS 110 -5.089 6.960 -10.174 638 2HZ LYS 110 2HZ LYS 110 -5.737 8.500 -9.921 639 3HZ LYS 110 3HZ LYS 110 -5.454 7.477 -8.601 640 H LYS 111 H LYS 111 -5.850 8.317 -4.900 641 HA LYS 111 HA LYS 111 -7.489 6.163 -4.600 642 1HB LYS 111 1HB LYS 111 -8.092 8.450 -4.218 643 2HB LYS 111 2HB LYS 111 -7.927 8.819 -5.923 644 1HG LYS 111 1HG LYS 111 -9.782 6.981 -6.183 645 2HG LYS 111 2HG LYS 111 -10.109 7.385 -4.495 646 1HD LYS 111 1HD LYS 111 -11.500 8.837 -5.692 647 2HD LYS 111 2HD LYS 111 -10.083 9.824 -5.291 648 1HE LYS 111 1HE LYS 111 -10.715 10.174 -7.607 649 2HE LYS 111 2HE LYS 111 -9.147 9.375 -7.510 650 1HZ LYS 111 1HZ LYS 111 -10.404 8.316 -9.200 651 2HZ LYS 111 2HZ LYS 111 -11.759 8.142 -8.200 652 3HZ LYS 111 3HZ LYS 111 -10.356 7.241 -7.889 653 H ALA 112 H ALA 112 -8.067 4.572 -5.833 654 HA ALA 112 HA ALA 112 -7.171 4.192 -8.477 655 1HB ALA 112 1HB ALA 112 -9.332 2.718 -6.969 656 2HB ALA 112 2HB ALA 112 -7.606 2.359 -6.912 657 3HB ALA 112 3HB ALA 112 -8.499 2.153 -8.419 658 H LEU 113 H LEU 113 -8.355 4.125 -10.424 659 HA LEU 113 HA LEU 113 -10.422 6.108 -10.603 660 1HB LEU 113 1HB LEU 113 -10.413 5.526 -13.038 661 2HB LEU 113 2HB LEU 113 -8.874 6.059 -12.397 662 HG LEU 113 HG LEU 113 -8.321 3.541 -12.207 663 1HD1 LEU 113 1HD1 LEU 113 -10.587 2.713 -12.625 664 2HD1 LEU 113 2HD1 LEU 113 -9.428 2.102 -13.805 665 3HD1 LEU 113 3HD1 LEU 113 -10.534 3.404 -14.248 666 1HD2 LEU 113 1HD2 LEU 113 -7.511 3.512 -14.503 667 2HD2 LEU 113 2HD2 LEU 113 -7.245 5.085 -13.746 668 3HD2 LEU 113 3HD2 LEU 113 -8.565 4.871 -14.898 669 H SER 114 H SER 114 -10.478 2.940 -9.710 670 HA SER 114 HA SER 114 -12.951 2.170 -10.950 671 1HB SER 114 1HB SER 114 -12.752 0.301 -9.150 672 2HB SER 114 2HB SER 114 -11.567 0.350 -10.457 673 HG SER 114 HG SER 114 -11.255 0.885 -7.746 674 H GLY 115 H GLY 115 -12.001 3.909 -8.113 675 1HA GLY 115 1HA GLY 115 -14.094 5.286 -7.463 676 2HA GLY 115 2HA GLY 115 -14.728 3.706 -7.029 677 H ASP 116 H ASP 116 -14.739 3.497 -4.903 678 HA ASP 116 HA ASP 116 -12.948 5.006 -3.239 679 1HB ASP 116 1HB ASP 116 -15.282 4.718 -2.576 680 2HB ASP 116 2HB ASP 116 -15.064 2.974 -2.501 681 H SER 117 H SER 117 -11.048 4.076 -4.074 682 HA SER 117 HA SER 117 -9.948 2.057 -2.381 683 1HB SER 117 1HB SER 117 -9.127 0.747 -4.440 684 2HB SER 117 2HB SER 117 -10.770 0.470 -3.876 685 HG SER 117 HG SER 117 -11.538 1.300 -5.663 686 H TYR 118 H TYR 118 -7.604 1.959 -2.696 687 HA TYR 118 HA TYR 118 -6.525 4.201 -4.257 688 1HB TYR 118 1HB TYR 118 -5.720 3.769 -1.371 689 2HB TYR 118 2HB TYR 118 -5.311 5.126 -2.420 690 HD1 TYR 118 HD1 TYR 118 -7.687 3.764 -0.111 691 HD2 TYR 118 HD2 TYR 118 -7.054 6.751 -3.045 692 HE1 TYR 118 HE1 TYR 118 -9.615 5.022 0.777 693 HE2 TYR 118 HE2 TYR 118 -8.978 8.030 -2.179 694 HH TYR 118 HH TYR 118 -10.511 7.225 0.809 695 H TRP 119 H TRP 119 -4.457 3.870 -5.053 696 HA TRP 119 HA TRP 119 -3.466 1.156 -4.840 697 1HB TRP 119 1HB TRP 119 -2.628 3.543 -6.478 698 2HB TRP 119 2HB TRP 119 -1.801 1.977 -6.532 699 HD1 TRP 119 HD1 TRP 119 -5.379 3.378 -7.180 700 HE1 TRP 119 HE1 TRP 119 -6.364 2.021 -9.157 701 HE3 TRP 119 HE3 TRP 119 -1.539 0.115 -7.915 702 HZ2 TRP 119 HZ2 TRP 119 -5.584 -0.154 -10.789 703 HZ3 TRP 119 HZ3 TRP 119 -1.712 -1.554 -9.670 704 HH2 TRP 119 HH2 TRP 119 -3.695 -1.701 -11.100 705 H VAL 120 H VAL 120 -1.194 0.809 -4.593 706 HA VAL 120 HA VAL 120 0.287 2.841 -3.069 707 HB VAL 120 HB VAL 120 0.203 0.000 -2.585 708 1HG1 VAL 120 1HG1 VAL 120 1.608 0.604 -0.655 709 2HG1 VAL 120 2HG1 VAL 120 1.670 2.269 -1.227 710 3HG1 VAL 120 3HG1 VAL 120 2.401 0.980 -2.183 711 1HG2 VAL 120 1HG2 VAL 120 -1.839 1.062 -1.830 712 2HG2 VAL 120 2HG2 VAL 120 -0.904 2.299 -0.992 713 3HG2 VAL 120 3HG2 VAL 120 -0.819 0.621 -0.461 714 H PHE 121 H PHE 121 1.629 3.342 -4.783 715 HA PHE 121 HA PHE 121 3.192 1.127 -5.946 716 1HB PHE 121 1HB PHE 121 3.127 4.032 -6.768 717 2HB PHE 121 2HB PHE 121 3.974 2.747 -7.597 718 HD1 PHE 121 HD1 PHE 121 0.889 4.535 -7.247 719 HD2 PHE 121 HD2 PHE 121 2.638 0.947 -8.717 720 HE1 PHE 121 HE1 PHE 121 -1.064 4.182 -8.703 721 HE2 PHE 121 HE2 PHE 121 0.689 0.585 -10.171 722 HZ PHE 121 HZ PHE 121 -1.164 2.207 -10.167 723 H VAL 122 H VAL 122 5.076 0.751 -4.935 724 HA VAL 122 HA VAL 122 6.665 3.107 -4.149 725 HB VAL 122 HB VAL 122 7.795 1.769 -2.661 726 1HG1 VAL 122 1HG1 VAL 122 6.051 3.295 -1.941 727 2HG1 VAL 122 2HG1 VAL 122 6.016 1.825 -0.969 728 3HG1 VAL 122 3HG1 VAL 122 4.825 2.063 -2.247 729 1HG2 VAL 122 1HG2 VAL 122 5.604 -0.218 -3.200 730 2HG2 VAL 122 2HG2 VAL 122 6.764 -0.297 -1.874 731 3HG2 VAL 122 3HG2 VAL 122 7.321 -0.432 -3.542 732 H LYS 123 H LYS 123 8.932 2.931 -4.488 733 HA LYS 123 HA LYS 123 9.953 0.554 -5.752 734 1HB LYS 123 1HB LYS 123 8.899 1.958 -7.622 735 2HB LYS 123 2HB LYS 123 10.197 3.111 -7.331 736 1HG LYS 123 1HG LYS 123 11.845 1.342 -7.789 737 2HG LYS 123 2HG LYS 123 10.526 0.228 -8.137 738 1HD LYS 123 1HD LYS 123 11.294 1.002 -10.229 739 2HD LYS 123 2HD LYS 123 9.786 1.864 -9.921 740 1HE LYS 123 1HE LYS 123 10.985 3.839 -9.270 741 2HE LYS 123 2HE LYS 123 12.526 2.983 -9.340 742 1HZ LYS 123 1HZ LYS 123 10.752 3.654 -11.629 743 2HZ LYS 123 2HZ LYS 123 12.112 2.649 -11.748 744 3HZ LYS 123 3HZ LYS 123 12.298 4.280 -11.310 745 H ARG 124 H ARG 124 12.018 0.262 -5.256 746 HA ARG 124 HA ARG 124 13.335 2.352 -3.725 747 1HB ARG 124 1HB ARG 124 14.944 0.645 -3.100 748 2HB ARG 124 2HB ARG 124 13.313 0.037 -2.868 749 1HG ARG 124 1HG ARG 124 13.484 -1.202 -4.975 750 2HG ARG 124 2HG ARG 124 15.134 -0.607 -5.178 751 1HD ARG 124 1HD ARG 124 15.646 -1.645 -2.932 752 2HD ARG 124 2HD ARG 124 14.071 -2.431 -3.035 753 HE ARG 124 HE ARG 124 15.905 -2.822 -5.268 754 1HH1 ARG 124 1HH1 ARG 124 14.457 -4.086 -2.344 755 2HH1 ARG 124 2HH1 ARG 124 14.911 -5.730 -2.661 756 1HH2 ARG 124 1HH2 ARG 124 16.528 -4.985 -5.695 757 2HH2 ARG 124 2HH2 ARG 124 16.108 -6.242 -4.560 758 H VAL 125 H VAL 125 15.182 3.381 -4.294 759 HA VAL 125 HA VAL 125 16.241 2.807 -6.968 760 HB VAL 125 HB VAL 125 14.908 4.582 -7.093 761 1HG1 VAL 125 1HG1 VAL 125 15.341 6.646 -5.854 762 2HG1 VAL 125 2HG1 VAL 125 16.560 5.809 -4.894 763 3HG1 VAL 125 3HG1 VAL 125 14.866 5.329 -4.782 764 1HG2 VAL 125 1HG2 VAL 125 16.936 4.542 -8.413 765 2HG2 VAL 125 2HG2 VAL 125 17.803 5.367 -7.117 766 3HG2 VAL 125 3HG2 VAL 125 16.493 6.190 -7.963 767 H2 HC4 169 H2 HC4 169 -3.700 -7.229 16.219 768 H3 HC4 169 H3 HC4 169 -2.679 -6.415 17.956 769 H2' HC4 169 H2' HC4 169 -1.018 -6.184 19.703 770 H3' HC4 169 H3' HC4 169 0.824 -7.024 21.088 771 H5' HC4 169 H5' HC4 169 1.273 -10.330 18.448 772 H6' HC4 169 H6' HC4 169 -0.653 -9.551 17.155 773 'HO4 HC4 169 'HO4 HC4 169 2.967 -9.394 19.970 Start of MODEL 6 1 H LEU 26 H LEU 26 7.493 -0.930 -14.721 2 HA LEU 26 HA LEU 26 8.211 -2.303 -12.902 3 1HB LEU 26 1HB LEU 26 5.756 -0.660 -12.248 4 2HB LEU 26 2HB LEU 26 6.941 -1.207 -11.077 5 HG LEU 26 HG LEU 26 7.507 0.693 -13.357 6 1HD1 LEU 26 1HD1 LEU 26 7.634 2.408 -11.654 7 2HD1 LEU 26 2HD1 LEU 26 7.247 1.229 -10.402 8 3HD1 LEU 26 3HD1 LEU 26 6.043 1.645 -11.622 9 1HD2 LEU 26 1HD2 LEU 26 9.647 1.039 -12.214 10 2HD2 LEU 26 2HD2 LEU 26 9.454 -0.637 -12.726 11 3HD2 LEU 26 3HD2 LEU 26 9.216 -0.201 -11.035 12 H ALA 27 H ALA 27 7.996 -4.445 -12.689 13 HA ALA 27 HA ALA 27 5.328 -5.557 -12.146 14 1HB ALA 27 1HB ALA 27 6.295 -7.722 -12.632 15 2HB ALA 27 2HB ALA 27 7.902 -7.008 -12.760 16 3HB ALA 27 3HB ALA 27 6.659 -6.602 -13.944 17 H PHE 28 H PHE 28 6.817 -3.966 -10.250 18 HA PHE 28 HA PHE 28 6.575 -5.657 -7.963 19 1HB PHE 28 1HB PHE 28 8.830 -6.312 -8.592 20 2HB PHE 28 2HB PHE 28 9.315 -4.628 -8.749 21 HD1 PHE 28 HD1 PHE 28 10.241 -3.505 -6.941 22 HD2 PHE 28 HD2 PHE 28 8.091 -7.117 -6.275 23 HE1 PHE 28 HE1 PHE 28 10.961 -3.496 -4.587 24 HE2 PHE 28 HE2 PHE 28 8.806 -7.114 -3.921 25 HZ PHE 28 HZ PHE 28 10.245 -5.301 -3.074 26 H GLY 29 H GLY 29 6.051 -4.436 -6.202 27 1HA GLY 29 1HA GLY 29 6.322 -2.528 -4.794 28 2HA GLY 29 2HA GLY 29 6.806 -1.597 -6.201 29 H ALA 30 H ALA 30 4.237 -3.246 -7.287 30 HA ALA 30 HA ALA 30 2.494 -0.960 -6.672 31 1HB ALA 30 1HB ALA 30 2.447 -2.807 -9.058 32 2HB ALA 30 2HB ALA 30 3.104 -1.171 -9.025 33 3HB ALA 30 3HB ALA 30 1.374 -1.434 -8.795 34 H ILE 31 H ILE 31 0.918 -1.367 -5.283 35 HA ILE 31 HA ILE 31 -0.636 -3.816 -5.658 36 HB ILE 31 HB ILE 31 0.618 -4.262 -3.937 37 1HG1 ILE 31 1HG1 ILE 31 -2.149 -3.485 -3.114 38 2HG1 ILE 31 2HG1 ILE 31 -1.597 -5.025 -3.761 39 1HG2 ILE 31 1HG2 ILE 31 0.736 -2.896 -1.916 40 2HG2 ILE 31 2HG2 ILE 31 -0.250 -1.663 -2.700 41 3HG2 ILE 31 3HG2 ILE 31 1.363 -2.024 -3.316 42 1HD1 ILE 31 1HD1 ILE 31 -0.279 -5.409 -1.753 43 2HD1 ILE 31 2HD1 ILE 31 -1.982 -5.160 -1.370 44 3HD1 ILE 31 3HD1 ILE 31 -0.818 -3.862 -1.103 45 H GLN 32 H GLN 32 -2.817 -3.605 -5.400 46 HA GLN 32 HA GLN 32 -3.755 -0.859 -4.922 47 1HB GLN 32 1HB GLN 32 -4.875 -0.903 -6.859 48 2HB GLN 32 2HB GLN 32 -4.018 -2.381 -7.244 49 1HG GLN 32 1HG GLN 32 -6.168 -3.000 -7.630 50 2HG GLN 32 2HG GLN 32 -5.960 -3.517 -5.955 51 1HE2 GLN 32 1HE2 GLN 32 -7.452 -1.197 -8.087 52 2HE2 GLN 32 2HE2 GLN 32 -8.569 -0.557 -6.933 53 H LEU 33 H LEU 33 -5.048 -0.614 -3.240 54 HA LEU 33 HA LEU 33 -6.428 -3.018 -2.247 55 1HB LEU 33 1HB LEU 33 -5.965 -2.262 0.074 56 2HB LEU 33 2HB LEU 33 -4.563 -2.809 -0.813 57 HG LEU 33 HG LEU 33 -4.140 -0.298 -1.279 58 1HD1 LEU 33 1HD1 LEU 33 -4.938 1.211 0.451 59 2HD1 LEU 33 2HD1 LEU 33 -5.914 -0.083 1.146 60 3HD1 LEU 33 3HD1 LEU 33 -6.287 0.534 -0.463 61 1HD2 LEU 33 1HD2 LEU 33 -2.728 -1.714 0.100 62 2HD2 LEU 33 2HD2 LEU 33 -3.797 -1.456 1.478 63 3HD2 LEU 33 3HD2 LEU 33 -2.886 -0.105 0.803 64 H ASP 34 H ASP 34 -8.261 -2.665 -0.983 65 HA ASP 34 HA ASP 34 -9.919 -0.573 -2.027 66 1HB ASP 34 1HB ASP 34 -11.305 -2.333 -1.705 67 2HB ASP 34 2HB ASP 34 -10.241 -3.065 -0.511 68 H GLY 35 H GLY 35 -10.948 1.053 -0.854 69 1HA GLY 35 1HA GLY 35 -9.129 2.276 1.029 70 2HA GLY 35 2HA GLY 35 -10.537 3.024 0.294 71 H ASP 36 H ASP 36 -10.537 -0.010 1.999 72 HA ASP 36 HA ASP 36 -11.817 1.263 4.316 73 1HB ASP 36 1HB ASP 36 -13.465 0.234 2.696 74 2HB ASP 36 2HB ASP 36 -12.747 -1.328 3.078 75 H GLY 37 H GLY 37 -9.804 -1.206 2.952 76 1HA GLY 37 1HA GLY 37 -7.944 -1.622 4.715 77 2HA GLY 37 2HA GLY 37 -9.273 -2.348 5.607 78 H ASN 38 H ASN 38 -10.006 -2.921 2.500 79 HA ASN 38 HA ASN 38 -9.092 -5.685 2.721 80 1HB ASN 38 1HB ASN 38 -10.951 -4.410 0.695 81 2HB ASN 38 2HB ASN 38 -10.688 -6.133 0.926 82 1HD2 ASN 38 1HD2 ASN 38 -12.131 -3.245 2.231 83 2HD2 ASN 38 2HD2 ASN 38 -13.184 -4.052 3.354 84 H ILE 39 H ILE 39 -7.888 -6.752 1.103 85 HA ILE 39 HA ILE 39 -6.373 -4.999 -0.683 86 HB ILE 39 HB ILE 39 -6.276 -7.845 -0.357 87 1HG1 ILE 39 1HG1 ILE 39 -5.832 -6.823 1.786 88 2HG1 ILE 39 2HG1 ILE 39 -4.351 -7.456 1.073 89 1HG2 ILE 39 1HG2 ILE 39 -4.375 -5.791 -1.502 90 2HG2 ILE 39 2HG2 ILE 39 -5.295 -6.982 -2.422 91 3HG2 ILE 39 3HG2 ILE 39 -4.022 -7.508 -1.318 92 1HD1 ILE 39 1HD1 ILE 39 -3.989 -5.299 2.155 93 2HD1 ILE 39 2HD1 ILE 39 -5.195 -4.560 1.100 94 3HD1 ILE 39 3HD1 ILE 39 -3.701 -5.200 0.418 95 H LEU 40 H LEU 40 -6.576 -5.084 -2.917 96 HA LEU 40 HA LEU 40 -8.764 -6.809 -3.872 97 1HB LEU 40 1HB LEU 40 -9.219 -4.379 -3.978 98 2HB LEU 40 2HB LEU 40 -7.838 -4.190 -5.043 99 HG LEU 40 HG LEU 40 -8.939 -5.597 -6.732 100 1HD1 LEU 40 1HD1 LEU 40 -11.272 -6.248 -6.461 101 2HD1 LEU 40 2HD1 LEU 40 -11.265 -5.613 -4.815 102 3HD1 LEU 40 3HD1 LEU 40 -10.257 -7.000 -5.232 103 1HD2 LEU 40 1HD2 LEU 40 -9.268 -3.176 -6.797 104 2HD2 LEU 40 2HD2 LEU 40 -10.676 -3.336 -5.746 105 3HD2 LEU 40 3HD2 LEU 40 -10.700 -4.034 -7.365 106 H GLN 41 H GLN 41 -5.763 -5.254 -5.044 107 HA GLN 41 HA GLN 41 -5.186 -7.672 -6.589 108 1HB GLN 41 1HB GLN 41 -5.541 -4.936 -7.813 109 2HB GLN 41 2HB GLN 41 -4.699 -6.252 -8.621 110 1HG GLN 41 1HG GLN 41 -6.670 -7.560 -8.731 111 2HG GLN 41 2HG GLN 41 -7.533 -6.466 -7.651 112 1HE2 GLN 41 1HE2 GLN 41 -8.311 -4.532 -8.443 113 2HE2 GLN 41 2HE2 GLN 41 -8.446 -4.208 -10.138 114 H TYR 42 H TYR 42 -3.041 -7.909 -7.202 115 HA TYR 42 HA TYR 42 -1.164 -5.932 -6.076 116 1HB TYR 42 1HB TYR 42 -1.342 -7.959 -4.639 117 2HB TYR 42 2HB TYR 42 -0.856 -8.947 -6.008 118 HD1 TYR 42 HD1 TYR 42 1.354 -9.601 -6.074 119 HD2 TYR 42 HD2 TYR 42 0.371 -5.938 -4.150 120 HE1 TYR 42 HE1 TYR 42 3.716 -9.294 -5.470 121 HE2 TYR 42 HE2 TYR 42 2.731 -5.621 -3.536 122 HH TYR 42 HH TYR 42 5.240 -7.294 -4.917 123 H ASN 43 H ASN 43 0.103 -5.104 -7.634 124 HA ASN 43 HA ASN 43 0.295 -6.574 -10.174 125 1HB ASN 43 1HB ASN 43 0.837 -3.663 -9.528 126 2HB ASN 43 2HB ASN 43 1.142 -4.394 -11.094 127 1HD2 ASN 43 1HD2 ASN 43 -1.656 -5.047 -9.044 128 2HD2 ASN 43 2HD2 ASN 43 -2.813 -4.341 -10.116 129 H ALA 44 H ALA 44 1.934 -8.006 -9.706 130 HA ALA 44 HA ALA 44 4.588 -7.063 -9.990 131 1HB ALA 44 1HB ALA 44 5.517 -7.702 -7.843 132 2HB ALA 44 2HB ALA 44 3.918 -8.162 -7.260 133 3HB ALA 44 3HB ALA 44 4.274 -6.471 -7.612 134 H ALA 45 H ALA 45 6.117 -8.800 -10.167 135 HA ALA 45 HA ALA 45 4.804 -11.344 -10.799 136 1HB ALA 45 1HB ALA 45 6.813 -11.873 -12.067 137 2HB ALA 45 2HB ALA 45 7.581 -10.389 -11.503 138 3HB ALA 45 3HB ALA 45 6.170 -10.306 -12.557 139 H GLU 46 H GLU 46 4.588 -12.175 -8.716 140 HA GLU 46 HA GLU 46 7.131 -13.047 -7.509 141 1HB GLU 46 1HB GLU 46 5.627 -11.448 -6.140 142 2HB GLU 46 2HB GLU 46 4.540 -12.823 -5.981 143 1HG GLU 46 1HG GLU 46 6.567 -14.095 -5.089 144 2HG GLU 46 2HG GLU 46 7.333 -12.516 -4.936 145 H GLY 47 H GLY 47 5.309 -14.144 -9.622 146 1HA GLY 47 1HA GLY 47 4.021 -16.453 -8.523 147 2HA GLY 47 2HA GLY 47 4.300 -16.126 -10.228 148 H ASP 48 H ASP 48 5.892 -17.194 -7.270 149 HA ASP 48 HA ASP 48 8.199 -18.214 -8.618 150 1HB ASP 48 1HB ASP 48 8.289 -17.436 -6.288 151 2HB ASP 48 2HB ASP 48 7.175 -18.712 -5.815 152 H ILE 49 H ILE 49 7.812 -19.749 -10.054 153 HA ILE 49 HA ILE 49 7.092 -21.652 -11.057 154 HB ILE 49 HB ILE 49 7.115 -22.785 -8.420 155 1HG1 ILE 49 1HG1 ILE 49 9.139 -21.396 -8.724 156 2HG1 ILE 49 2HG1 ILE 49 9.498 -23.117 -8.698 157 1HG2 ILE 49 1HG2 ILE 49 7.878 -24.739 -9.692 158 2HG2 ILE 49 2HG2 ILE 49 7.752 -23.812 -11.187 159 3HG2 ILE 49 3HG2 ILE 49 6.302 -24.183 -10.253 160 1HD1 ILE 49 1HD1 ILE 49 10.803 -21.977 -10.394 161 2HD1 ILE 49 2HD1 ILE 49 9.326 -21.383 -11.153 162 3HD1 ILE 49 3HD1 ILE 49 9.676 -23.111 -11.138 163 H THR 50 H THR 50 5.053 -20.022 -10.653 164 HA THR 50 HA THR 50 2.814 -19.780 -10.419 165 HB THR 50 HB THR 50 2.792 -22.653 -10.398 166 HG1 THR 50 HG1 THR 50 3.012 -20.697 -12.475 167 1HG2 THR 50 1HG2 THR 50 0.661 -21.607 -9.854 168 2HG2 THR 50 2HG2 THR 50 0.625 -22.264 -11.490 169 3HG2 THR 50 3HG2 THR 50 0.821 -20.530 -11.241 170 H GLY 51 H GLY 51 3.318 -19.037 -8.241 171 1HA GLY 51 1HA GLY 51 1.572 -20.277 -6.360 172 2HA GLY 51 2HA GLY 51 3.259 -20.493 -5.919 173 H ARG 52 H ARG 52 0.594 -18.499 -5.655 174 HA ARG 52 HA ARG 52 2.283 -16.439 -4.431 175 1HB ARG 52 1HB ARG 52 0.889 -14.691 -5.221 176 2HB ARG 52 2HB ARG 52 1.220 -15.713 -6.610 177 1HG ARG 52 1HG ARG 52 -0.983 -16.770 -6.331 178 2HG ARG 52 2HG ARG 52 -1.317 -15.670 -4.992 179 1HD ARG 52 1HD ARG 52 -0.889 -13.776 -6.605 180 2HD ARG 52 2HD ARG 52 -0.884 -14.981 -7.890 181 HE ARG 52 HE ARG 52 -3.240 -15.236 -6.350 182 1HH1 ARG 52 1HH1 ARG 52 -1.760 -13.213 -8.799 183 2HH1 ARG 52 2HH1 ARG 52 -3.268 -12.534 -9.330 184 1HH2 ARG 52 1HH2 ARG 52 -5.220 -14.362 -7.055 185 2HH2 ARG 52 2HH2 ARG 52 -5.238 -13.169 -8.323 186 H ASP 53 H ASP 53 1.243 -15.329 -2.622 187 HA ASP 53 HA ASP 53 -0.476 -17.204 -1.167 188 1HB ASP 53 1HB ASP 53 1.566 -16.507 -0.018 189 2HB ASP 53 2HB ASP 53 1.096 -14.816 -0.176 190 HA PRO 54 HA PRO 54 -3.742 -14.153 -1.648 191 1HB PRO 54 1HB PRO 54 -5.754 -15.911 -1.769 192 2HB PRO 54 2HB PRO 54 -4.647 -15.694 -3.127 193 1HG PRO 54 1HG PRO 54 -4.861 -17.933 -1.215 194 2HG PRO 54 2HG PRO 54 -4.220 -17.920 -2.865 195 1HD PRO 54 1HD PRO 54 -2.762 -17.772 -0.388 196 2HD PRO 54 2HD PRO 54 -2.117 -17.785 -2.040 197 H LYS 55 H LYS 55 -2.549 -15.274 0.967 198 HA LYS 55 HA LYS 55 -4.971 -15.278 2.608 199 1HB LYS 55 1HB LYS 55 -2.180 -16.206 3.262 200 2HB LYS 55 2HB LYS 55 -3.525 -16.219 4.395 201 1HG LYS 55 1HG LYS 55 -4.710 -17.823 3.056 202 2HG LYS 55 2HG LYS 55 -3.483 -17.729 1.791 203 1HD LYS 55 1HD LYS 55 -1.823 -18.660 3.297 204 2HD LYS 55 2HD LYS 55 -3.000 -18.685 4.612 205 1HE LYS 55 1HE LYS 55 -3.317 -20.196 2.022 206 2HE LYS 55 2HE LYS 55 -2.651 -20.890 3.498 207 1HZ LYS 55 1HZ LYS 55 -4.735 -20.464 4.620 208 2HZ LYS 55 2HZ LYS 55 -5.006 -21.398 3.235 209 3HZ LYS 55 3HZ LYS 55 -5.382 -19.743 3.230 210 H GLN 56 H GLN 56 -1.722 -14.046 2.572 211 HA GLN 56 HA GLN 56 -2.471 -11.888 4.406 212 1HB GLN 56 1HB GLN 56 -0.367 -13.159 4.799 213 2HB GLN 56 2HB GLN 56 0.240 -12.588 3.252 214 1HG GLN 56 1HG GLN 56 0.081 -10.271 4.079 215 2HG GLN 56 2HG GLN 56 -0.429 -10.894 5.648 216 1HE2 GLN 56 1HE2 GLN 56 1.324 -10.032 6.717 217 2HE2 GLN 56 2HE2 GLN 56 2.928 -10.672 6.539 218 H VAL 57 H VAL 57 -1.539 -12.500 1.104 219 HA VAL 57 HA VAL 57 -1.840 -9.636 0.502 220 HB VAL 57 HB VAL 57 -0.697 -11.712 -1.107 221 1HG1 VAL 57 1HG1 VAL 57 -1.552 -9.802 -2.349 222 2HG1 VAL 57 2HG1 VAL 57 0.212 -9.795 -2.332 223 3HG1 VAL 57 3HG1 VAL 57 -0.683 -8.702 -1.277 224 1HG2 VAL 57 1HG2 VAL 57 0.624 -9.721 0.717 225 2HG2 VAL 57 2HG2 VAL 57 1.449 -10.750 -0.455 226 3HG2 VAL 57 3HG2 VAL 57 0.605 -11.476 0.911 227 H ILE 58 H ILE 58 -3.630 -9.058 -0.526 228 HA ILE 58 HA ILE 58 -5.469 -9.041 -1.850 229 HB ILE 58 HB ILE 58 -4.360 -11.495 -2.837 230 1HG1 ILE 58 1HG1 ILE 58 -4.154 -8.660 -3.836 231 2HG1 ILE 58 2HG1 ILE 58 -2.858 -9.573 -3.066 232 1HG2 ILE 58 1HG2 ILE 58 -6.738 -11.313 -3.350 233 2HG2 ILE 58 2HG2 ILE 58 -5.769 -11.040 -4.799 234 3HG2 ILE 58 3HG2 ILE 58 -6.491 -9.674 -3.949 235 1HD1 ILE 58 1HD1 ILE 58 -4.206 -10.305 -5.654 236 2HD1 ILE 58 2HD1 ILE 58 -2.862 -11.160 -4.897 237 3HD1 ILE 58 3HD1 ILE 58 -2.635 -9.518 -5.501 238 H GLY 59 H GLY 59 -7.584 -9.822 -1.838 239 1HA GLY 59 1HA GLY 59 -9.369 -11.167 -1.250 240 2HA GLY 59 2HA GLY 59 -8.223 -12.448 -0.876 241 H LYS 60 H LYS 60 -7.285 -9.692 0.683 242 HA LYS 60 HA LYS 60 -8.081 -10.656 3.251 243 1HB LYS 60 1HB LYS 60 -5.965 -9.543 3.090 244 2HB LYS 60 2HB LYS 60 -6.687 -8.143 2.312 245 1HG LYS 60 1HG LYS 60 -6.081 -7.670 4.623 246 2HG LYS 60 2HG LYS 60 -7.825 -7.558 4.390 247 1HD LYS 60 1HD LYS 60 -7.416 -8.704 6.455 248 2HD LYS 60 2HD LYS 60 -8.020 -9.879 5.286 249 1HE LYS 60 1HE LYS 60 -6.198 -10.853 6.502 250 2HE LYS 60 2HE LYS 60 -5.693 -10.568 4.840 251 1HZ LYS 60 1HZ LYS 60 -4.438 -8.671 5.511 252 2HZ LYS 60 2HZ LYS 60 -4.027 -9.945 6.554 253 3HZ LYS 60 3HZ LYS 60 -5.073 -8.722 7.083 254 H ASN 61 H ASN 61 -10.230 -10.619 3.563 255 HA ASN 61 HA ASN 61 -11.627 -8.082 3.075 256 1HB ASN 61 1HB ASN 61 -12.617 -10.920 3.208 257 2HB ASN 61 2HB ASN 61 -13.718 -9.560 3.410 258 1HD2 ASN 61 1HD2 ASN 61 -14.061 -8.151 1.665 259 2HD2 ASN 61 2HD2 ASN 61 -13.715 -8.622 0.041 260 H PHE 62 H PHE 62 -11.342 -6.908 4.840 261 HA PHE 62 HA PHE 62 -11.970 -8.140 7.443 262 1HB PHE 62 1HB PHE 62 -9.543 -7.479 7.051 263 2HB PHE 62 2HB PHE 62 -10.095 -5.809 6.986 264 HD1 PHE 62 HD1 PHE 62 -10.532 -4.589 8.952 265 HD2 PHE 62 HD2 PHE 62 -9.814 -8.779 9.179 266 HE1 PHE 62 HE1 PHE 62 -10.370 -4.428 11.400 267 HE2 PHE 62 HE2 PHE 62 -9.651 -8.620 11.630 268 HZ PHE 62 HZ PHE 62 -9.853 -6.467 12.738 269 H PHE 63 H PHE 63 -13.451 -7.083 8.698 270 HA PHE 63 HA PHE 63 -14.707 -4.739 7.457 271 1HB PHE 63 1HB PHE 63 -15.812 -6.655 9.522 272 2HB PHE 63 2HB PHE 63 -16.687 -5.303 8.805 273 HD1 PHE 63 HD1 PHE 63 -15.678 -8.728 8.439 274 HD2 PHE 63 HD2 PHE 63 -17.170 -5.340 6.346 275 HE1 PHE 63 HE1 PHE 63 -16.416 -10.192 6.606 276 HE2 PHE 63 HE2 PHE 63 -17.912 -6.797 4.507 277 HZ PHE 63 HZ PHE 63 -17.536 -9.227 4.635 278 H LYS 64 H LYS 64 -15.420 -3.010 8.807 279 HA LYS 64 HA LYS 64 -13.388 -2.123 10.546 280 1HB LYS 64 1HB LYS 64 -15.024 -0.224 10.997 281 2HB LYS 64 2HB LYS 64 -14.523 -0.456 9.328 282 1HG LYS 64 1HG LYS 64 -16.906 -1.975 9.938 283 2HG LYS 64 2HG LYS 64 -17.121 -0.257 10.282 284 1HD LYS 64 1HD LYS 64 -16.023 -1.321 7.679 285 2HD LYS 64 2HD LYS 64 -17.730 -0.958 7.946 286 1HE LYS 64 1HE LYS 64 -17.158 1.366 8.446 287 2HE LYS 64 2HE LYS 64 -15.450 1.004 8.198 288 1HZ LYS 64 1HZ LYS 64 -15.811 0.626 5.914 289 2HZ LYS 64 2HZ LYS 64 -16.644 2.061 6.274 290 3HZ LYS 64 3HZ LYS 64 -17.499 0.611 6.089 291 H ASP 65 H ASP 65 -13.046 -3.003 12.471 292 HA ASP 65 HA ASP 65 -15.239 -3.737 14.210 293 1HB ASP 65 1HB ASP 65 -13.496 -4.372 15.825 294 2HB ASP 65 2HB ASP 65 -13.181 -5.085 14.248 295 H VAL 66 H VAL 66 -12.453 -1.541 14.691 296 HA VAL 66 HA VAL 66 -14.409 0.478 15.527 297 HB VAL 66 HB VAL 66 -13.242 -0.170 17.312 298 1HG1 VAL 66 1HG1 VAL 66 -11.227 -1.075 16.253 299 2HG1 VAL 66 2HG1 VAL 66 -10.851 0.074 17.535 300 3HG1 VAL 66 3HG1 VAL 66 -10.718 0.566 15.848 301 1HG2 VAL 66 1HG2 VAL 66 -12.394 2.515 16.272 302 2HG2 VAL 66 2HG2 VAL 66 -12.316 2.000 17.957 303 3HG2 VAL 66 3HG2 VAL 66 -13.877 2.136 17.148 304 H ALA 67 H ALA 67 -11.163 -0.012 14.173 305 HA ALA 67 HA ALA 67 -11.465 1.276 11.790 306 1HB ALA 67 1HB ALA 67 -10.487 3.486 12.098 307 2HB ALA 67 2HB ALA 67 -10.375 3.214 13.838 308 3HB ALA 67 3HB ALA 67 -11.956 3.334 13.063 309 HA PRO 68 HA PRO 68 -7.410 -0.583 11.706 310 1HB PRO 68 1HB PRO 68 -7.039 0.723 9.110 311 2HB PRO 68 2HB PRO 68 -7.139 -0.998 9.492 312 1HG PRO 68 1HG PRO 68 -9.107 0.290 8.170 313 2HG PRO 68 2HG PRO 68 -9.436 -1.049 9.288 314 1HD PRO 68 1HD PRO 68 -9.701 1.904 9.732 315 2HD PRO 68 2HD PRO 68 -10.788 0.589 10.228 316 H CYS 69 H CYS 69 -6.411 0.675 13.310 317 HA CYS 69 HA CYS 69 -4.557 2.678 12.313 318 1HB CYS 69 1HB CYS 69 -5.255 4.392 13.933 319 2HB CYS 69 2HB CYS 69 -6.550 4.018 12.802 320 H THR 70 H THR 70 -4.460 0.015 13.568 321 HA THR 70 HA THR 70 -3.277 0.648 16.187 322 HB THR 70 HB THR 70 -3.862 -1.929 15.070 323 HG1 THR 70 HG1 THR 70 -5.487 -0.037 16.471 324 1HG2 THR 70 1HG2 THR 70 -3.519 -0.846 17.862 325 2HG2 THR 70 2HG2 THR 70 -2.379 -1.880 16.998 326 3HG2 THR 70 3HG2 THR 70 -3.967 -2.501 17.446 327 H ASP 71 H ASP 71 -2.631 -1.036 13.135 328 HA ASP 71 HA ASP 71 -0.231 -2.276 13.824 329 1HB ASP 71 1HB ASP 71 -1.511 -2.860 11.831 330 2HB ASP 71 2HB ASP 71 -1.149 -1.295 11.115 331 H SER 72 H SER 72 0.124 0.052 11.234 332 HA SER 72 HA SER 72 1.437 2.147 12.467 333 1HB SER 72 1HB SER 72 3.051 0.446 13.285 334 2HB SER 72 2HB SER 72 3.379 -0.030 11.621 335 HG SER 72 HG SER 72 4.912 1.408 11.849 336 HA PRO 73 HA PRO 73 1.455 3.164 8.085 337 1HB PRO 73 1HB PRO 73 2.520 5.757 8.815 338 2HB PRO 73 2HB PRO 73 0.905 5.355 8.232 339 1HG PRO 73 1HG PRO 73 1.426 6.219 10.773 340 2HG PRO 73 2HG PRO 73 0.044 5.198 10.343 341 1HD PRO 73 1HD PRO 73 2.660 4.425 11.575 342 2HD PRO 73 2HD PRO 73 1.022 3.841 11.943 343 H GLU 74 H GLU 74 3.364 1.560 8.209 344 HA GLU 74 HA GLU 74 6.009 2.468 8.496 345 1HB GLU 74 1HB GLU 74 5.271 0.074 8.487 346 2HB GLU 74 2HB GLU 74 5.043 0.195 6.748 347 1HG GLU 74 1HG GLU 74 7.417 0.682 6.468 348 2HG GLU 74 2HG GLU 74 7.647 0.563 8.211 349 H PHE 75 H PHE 75 4.196 1.783 5.509 350 HA PHE 75 HA PHE 75 5.779 3.866 4.168 351 1HB PHE 75 1HB PHE 75 5.528 2.521 2.066 352 2HB PHE 75 2HB PHE 75 6.525 1.754 3.295 353 HD1 PHE 75 HD1 PHE 75 5.762 -0.249 4.441 354 HD2 PHE 75 HD2 PHE 75 3.381 1.614 1.448 355 HE1 PHE 75 HE1 PHE 75 4.360 -2.268 4.309 356 HE2 PHE 75 HE2 PHE 75 1.977 -0.399 1.308 357 HZ PHE 75 HZ PHE 75 2.506 -2.368 2.713 358 H TYR 76 H TYR 76 3.157 3.876 5.536 359 HA TYR 76 HA TYR 76 1.308 4.384 3.324 360 1HB TYR 76 1HB TYR 76 0.797 4.265 6.304 361 2HB TYR 76 2HB TYR 76 -0.433 4.453 5.061 362 HD1 TYR 76 HD1 TYR 76 1.901 2.121 6.660 363 HD2 TYR 76 HD2 TYR 76 -1.147 2.560 3.721 364 HE1 TYR 76 HE1 TYR 76 1.680 -0.322 6.536 365 HE2 TYR 76 HE2 TYR 76 -1.375 0.111 3.588 366 HH TYR 76 HH TYR 76 0.099 -1.988 5.885 367 H GLY 77 H GLY 77 0.495 6.407 2.899 368 1HA GLY 77 1HA GLY 77 1.821 8.599 4.347 369 2HA GLY 77 2HA GLY 77 1.249 8.683 2.685 370 H LYS 78 H LYS 78 0.304 8.660 6.050 371 HA LYS 78 HA LYS 78 -1.516 9.447 7.167 372 1HB LYS 78 1HB LYS 78 -2.110 11.033 4.663 373 2HB LYS 78 2HB LYS 78 -2.630 11.400 6.300 374 1HG LYS 78 1HG LYS 78 0.175 11.531 5.217 375 2HG LYS 78 2HG LYS 78 -0.861 12.886 5.663 376 1HD LYS 78 1HD LYS 78 -0.867 12.006 8.002 377 2HD LYS 78 2HD LYS 78 0.325 10.808 7.494 378 1HE LYS 78 1HE LYS 78 0.643 13.805 7.417 379 2HE LYS 78 2HE LYS 78 1.423 12.696 8.541 380 1HZ LYS 78 1HZ LYS 78 2.549 11.665 6.634 381 2HZ LYS 78 2HZ LYS 78 2.939 13.307 6.805 382 3HZ LYS 78 3HZ LYS 78 1.853 12.819 5.602 383 H PHE 79 H PHE 79 -1.949 7.004 6.146 384 HA PHE 79 HA PHE 79 -3.578 6.586 3.996 385 1HB PHE 79 1HB PHE 79 -2.381 4.817 5.251 386 2HB PHE 79 2HB PHE 79 -3.613 4.911 6.509 387 HD1 PHE 79 HD1 PHE 79 -5.506 3.570 6.364 388 HD2 PHE 79 HD2 PHE 79 -3.213 4.325 2.858 389 HE1 PHE 79 HE1 PHE 79 -6.901 1.978 5.110 390 HE2 PHE 79 HE2 PHE 79 -4.602 2.732 1.601 391 HZ PHE 79 HZ PHE 79 -6.449 1.560 2.723 392 H LYS 80 H LYS 80 -4.708 7.305 7.310 393 HA LYS 80 HA LYS 80 -7.440 6.673 6.587 394 1HB LYS 80 1HB LYS 80 -6.418 7.994 9.102 395 2HB LYS 80 2HB LYS 80 -8.024 7.325 8.858 396 1HG LYS 80 1HG LYS 80 -6.856 5.095 8.472 397 2HG LYS 80 2HG LYS 80 -5.415 5.873 9.128 398 1HD LYS 80 1HD LYS 80 -8.052 5.394 10.501 399 2HD LYS 80 2HD LYS 80 -6.470 4.751 10.938 400 1HE LYS 80 1HE LYS 80 -7.336 7.636 11.092 401 2HE LYS 80 2HE LYS 80 -7.127 6.533 12.450 402 1HZ LYS 80 1HZ LYS 80 -4.767 6.376 11.898 403 2HZ LYS 80 2HZ LYS 80 -5.225 7.976 12.224 404 3HZ LYS 80 3HZ LYS 80 -4.979 7.475 10.622 405 H GLU 81 H GLU 81 -5.402 9.452 6.836 406 HA GLU 81 HA GLU 81 -7.509 11.393 6.720 407 1HB GLU 81 1HB GLU 81 -5.219 11.820 7.667 408 2HB GLU 81 2HB GLU 81 -4.578 11.701 6.035 409 1HG GLU 81 1HG GLU 81 -5.757 13.656 5.351 410 2HG GLU 81 2HG GLU 81 -6.646 13.716 6.874 411 H GLY 82 H GLY 82 -5.410 9.678 4.540 412 1HA GLY 82 1HA GLY 82 -5.896 10.930 2.141 413 2HA GLY 82 2HA GLY 82 -5.535 9.237 2.337 414 H VAL 83 H VAL 83 -7.687 8.510 3.881 415 HA VAL 83 HA VAL 83 -9.600 7.937 1.860 416 HB VAL 83 HB VAL 83 -9.728 7.718 4.723 417 1HG1 VAL 83 1HG1 VAL 83 -11.942 7.628 3.690 418 2HG1 VAL 83 2HG1 VAL 83 -11.444 6.028 4.239 419 3HG1 VAL 83 3HG1 VAL 83 -11.360 6.436 2.526 420 1HG2 VAL 83 1HG2 VAL 83 -7.819 6.563 3.751 421 2HG2 VAL 83 2HG2 VAL 83 -8.890 5.760 2.601 422 3HG2 VAL 83 3HG2 VAL 83 -9.041 5.431 4.326 423 H ALA 84 H ALA 84 -9.743 9.967 4.793 424 HA ALA 84 HA ALA 84 -12.508 10.584 4.233 425 1HB ALA 84 1HB ALA 84 -12.514 11.712 6.381 426 2HB ALA 84 2HB ALA 84 -10.763 11.537 6.499 427 3HB ALA 84 3HB ALA 84 -11.798 10.109 6.530 428 H SER 85 H SER 85 -9.422 12.084 3.828 429 HA SER 85 HA SER 85 -10.433 14.716 3.354 430 1HB SER 85 1HB SER 85 -7.995 14.120 3.790 431 2HB SER 85 2HB SER 85 -7.927 13.521 2.135 432 HG SER 85 HG SER 85 -7.209 15.713 2.381 433 H GLY 86 H GLY 86 -10.120 11.781 1.509 434 1HA GLY 86 1HA GLY 86 -11.430 11.195 -0.324 435 2HA GLY 86 2HA GLY 86 -11.948 12.869 -0.465 436 H ASN 87 H ASN 87 -8.579 12.118 -0.211 437 HA ASN 87 HA ASN 87 -8.145 12.172 -3.039 438 1HB ASN 87 1HB ASN 87 -6.698 14.258 -2.950 439 2HB ASN 87 2HB ASN 87 -8.434 14.526 -2.873 440 1HD2 ASN 87 1HD2 ASN 87 -9.322 15.404 -1.072 441 2HD2 ASN 87 2HD2 ASN 87 -8.400 16.001 0.267 442 H LEU 88 H LEU 88 -7.449 10.218 -1.438 443 HA LEU 88 HA LEU 88 -4.770 10.434 -0.513 444 1HB LEU 88 1HB LEU 88 -6.737 8.634 -0.100 445 2HB LEU 88 2HB LEU 88 -5.754 7.768 -1.269 446 HG LEU 88 HG LEU 88 -4.742 8.986 1.249 447 1HD1 LEU 88 1HD1 LEU 88 -6.267 7.168 1.785 448 2HD1 LEU 88 2HD1 LEU 88 -4.607 6.657 2.097 449 3HD1 LEU 88 3HD1 LEU 88 -5.437 6.109 0.642 450 1HD2 LEU 88 1HD2 LEU 88 -3.030 8.771 -0.459 451 2HD2 LEU 88 2HD2 LEU 88 -3.442 7.069 -0.676 452 3HD2 LEU 88 3HD2 LEU 88 -2.740 7.621 0.846 453 H ASN 89 H ASN 89 -4.025 11.477 -2.495 454 HA ASN 89 HA ASN 89 -2.767 9.435 -4.146 455 1HB ASN 89 1HB ASN 89 -4.636 10.075 -5.527 456 2HB ASN 89 2HB ASN 89 -4.339 11.780 -5.234 457 1HD2 ASN 89 1HD2 ASN 89 -2.658 12.815 -6.328 458 2HD2 ASN 89 2HD2 ASN 89 -1.898 12.115 -7.714 459 H THR 90 H THR 90 -0.772 9.762 -3.350 460 HA THR 90 HA THR 90 0.389 12.433 -3.680 461 HB THR 90 HB THR 90 0.662 10.744 -1.367 462 HG1 THR 90 HG1 THR 90 -1.164 12.708 -2.114 463 1HG2 THR 90 1HG2 THR 90 1.557 13.561 -1.941 464 2HG2 THR 90 2HG2 THR 90 2.609 12.150 -1.829 465 3HG2 THR 90 3HG2 THR 90 1.726 12.706 -0.406 466 H MET 91 H MET 91 2.573 12.422 -4.161 467 HA MET 91 HA MET 91 3.943 9.816 -4.100 468 1HB MET 91 1HB MET 91 5.269 10.632 -6.095 469 2HB MET 91 2HB MET 91 3.603 10.178 -6.407 470 1HG MET 91 1HG MET 91 2.978 12.561 -6.351 471 2HG MET 91 2HG MET 91 4.677 12.977 -6.123 472 1HE MET 91 1HE MET 91 4.447 14.603 -8.285 473 2HE MET 91 2HE MET 91 2.769 14.099 -8.468 474 3HE MET 91 3HE MET 91 3.864 14.038 -9.850 475 H PHE 92 H PHE 92 5.851 9.805 -3.114 476 HA PHE 92 HA PHE 92 7.333 12.221 -2.598 477 1HB PHE 92 1HB PHE 92 5.557 12.434 -0.921 478 2HB PHE 92 2HB PHE 92 5.873 10.801 -0.352 479 HD1 PHE 92 HD1 PHE 92 7.491 14.130 -0.723 480 HD2 PHE 92 HD2 PHE 92 7.324 10.458 1.424 481 HE1 PHE 92 HE1 PHE 92 9.077 15.028 0.931 482 HE2 PHE 92 HE2 PHE 92 8.910 11.351 3.083 483 HZ PHE 92 HZ PHE 92 9.788 13.638 2.837 484 H GLU 93 H GLU 93 9.447 11.746 -2.019 485 HA GLU 93 HA GLU 93 10.126 8.906 -1.996 486 1HB GLU 93 1HB GLU 93 11.821 11.401 -2.242 487 2HB GLU 93 2HB GLU 93 12.492 9.776 -2.137 488 1HG GLU 93 1HG GLU 93 11.445 9.125 -4.171 489 2HG GLU 93 2HG GLU 93 10.519 10.621 -4.242 490 H TYR 94 H TYR 94 10.051 7.957 -0.110 491 HA TYR 94 HA TYR 94 10.497 9.566 2.313 492 1HB TYR 94 1HB TYR 94 8.196 8.741 1.991 493 2HB TYR 94 2HB TYR 94 8.799 7.093 1.908 494 HD1 TYR 94 HD1 TYR 94 8.595 5.817 3.815 495 HD2 TYR 94 HD2 TYR 94 8.969 10.035 4.216 496 HE1 TYR 94 HE1 TYR 94 8.380 5.596 6.254 497 HE2 TYR 94 HE2 TYR 94 8.745 9.829 6.656 498 HH TYR 94 HH TYR 94 7.961 8.351 8.319 499 H THR 95 H THR 95 12.269 9.106 3.411 500 HA THR 95 HA THR 95 13.561 6.519 3.099 501 HB THR 95 HB THR 95 15.078 7.571 4.679 502 HG1 THR 95 HG1 THR 95 13.842 9.364 5.247 503 1HG2 THR 95 1HG2 THR 95 16.193 8.639 2.792 504 2HG2 THR 95 2HG2 THR 95 14.705 8.535 1.851 505 3HG2 THR 95 3HG2 THR 95 15.539 7.062 2.344 506 H PHE 96 H PHE 96 14.083 5.190 4.831 507 HA PHE 96 HA PHE 96 12.272 5.456 7.122 508 1HB PHE 96 1HB PHE 96 13.815 3.101 6.024 509 2HB PHE 96 2HB PHE 96 12.921 3.049 7.539 510 HD1 PHE 96 HD1 PHE 96 10.587 2.706 7.562 511 HD2 PHE 96 HD2 PHE 96 12.583 3.522 3.893 512 HE1 PHE 96 HE1 PHE 96 8.543 2.118 6.322 513 HE2 PHE 96 HE2 PHE 96 10.545 2.945 2.651 514 HZ PHE 96 HZ PHE 96 8.506 2.221 3.898 515 H ASP 97 H ASP 97 13.167 4.669 9.234 516 HA ASP 97 HA ASP 97 15.568 6.154 9.805 517 1HB ASP 97 1HB ASP 97 13.676 4.580 11.556 518 2HB ASP 97 2HB ASP 97 15.110 5.388 12.178 519 H TYR 98 H TYR 98 16.617 4.531 8.217 520 HA TYR 98 HA TYR 98 18.013 2.546 9.874 521 1HB TYR 98 1HB TYR 98 17.109 2.231 7.006 522 2HB TYR 98 2HB TYR 98 18.260 1.155 7.791 523 HD1 TYR 98 HD1 TYR 98 17.499 -0.246 9.721 524 HD2 TYR 98 HD2 TYR 98 14.784 2.002 7.342 525 HE1 TYR 98 HE1 TYR 98 15.635 -1.610 10.573 526 HE2 TYR 98 HE2 TYR 98 12.914 0.650 8.185 527 HH TYR 98 HH TYR 98 13.196 -1.451 10.853 528 H GLN 99 H GLN 99 20.107 2.980 9.999 529 HA GLN 99 HA GLN 99 21.280 4.761 7.990 530 1HB GLN 99 1HB GLN 99 21.452 5.388 10.375 531 2HB GLN 99 2HB GLN 99 22.358 3.910 10.677 532 1HG GLN 99 1HG GLN 99 24.127 4.686 9.190 533 2HG GLN 99 2HG GLN 99 23.216 6.163 8.871 534 1HE2 GLN 99 1HE2 GLN 99 25.861 5.821 10.017 535 2HE2 GLN 99 2HE2 GLN 99 25.812 6.572 11.577 536 H MET 100 H MET 100 21.536 1.555 9.330 537 HA MET 100 HA MET 100 24.051 0.802 8.345 538 1HB MET 100 1HB MET 100 21.630 -0.994 8.636 539 2HB MET 100 2HB MET 100 23.314 -1.493 8.617 540 1HG MET 100 1HG MET 100 22.652 -1.571 10.859 541 2HG MET 100 2HG MET 100 23.614 -0.104 10.703 542 1HE MET 100 1HE MET 100 19.015 -0.220 11.077 543 2HE MET 100 2HE MET 100 20.061 -1.638 11.153 544 3HE MET 100 3HE MET 100 19.855 -0.774 9.630 545 H THR 101 H THR 101 20.861 0.087 6.967 546 HA THR 101 HA THR 101 22.086 0.183 4.298 547 HB THR 101 HB THR 101 19.535 -0.905 5.067 548 HG1 THR 101 HG1 THR 101 20.572 -2.732 5.522 549 1HG2 THR 101 1HG2 THR 101 19.766 -2.071 2.950 550 2HG2 THR 101 2HG2 THR 101 21.310 -1.270 2.661 551 3HG2 THR 101 3HG2 THR 101 19.821 -0.324 2.705 552 HA PRO 102 HA PRO 102 19.644 3.912 3.859 553 1HB PRO 102 1HB PRO 102 20.106 3.651 0.977 554 2HB PRO 102 2HB PRO 102 20.632 4.922 2.083 555 1HG PRO 102 1HG PRO 102 22.354 3.150 0.994 556 2HG PRO 102 2HG PRO 102 22.590 3.836 2.611 557 1HD PRO 102 1HD PRO 102 21.532 1.147 1.827 558 2HD PRO 102 2HD PRO 102 22.628 1.584 3.157 559 H THR 103 H THR 103 17.686 2.737 4.420 560 HA THR 103 HA THR 103 16.188 1.504 2.288 561 HB THR 103 HB THR 103 15.249 2.423 4.840 562 HG1 THR 103 HG1 THR 103 15.898 -0.111 4.928 563 1HG2 THR 103 1HG2 THR 103 13.573 1.684 3.222 564 2HG2 THR 103 2HG2 THR 103 13.744 0.524 4.540 565 3HG2 THR 103 3HG2 THR 103 14.474 0.191 2.968 566 H LYS 104 H LYS 104 15.856 3.008 0.755 567 HA LYS 104 HA LYS 104 14.171 5.316 1.457 568 1HB LYS 104 1HB LYS 104 16.333 6.099 0.699 569 2HB LYS 104 2HB LYS 104 16.281 5.029 -0.693 570 1HG LYS 104 1HG LYS 104 14.147 6.364 -1.323 571 2HG LYS 104 2HG LYS 104 14.791 7.573 -0.212 572 1HD LYS 104 1HD LYS 104 16.825 7.735 -1.482 573 2HD LYS 104 2HD LYS 104 16.333 6.393 -2.518 574 1HE LYS 104 1HE LYS 104 15.892 8.328 -3.772 575 2HE LYS 104 2HE LYS 104 14.326 7.815 -3.149 576 1HZ LYS 104 1HZ LYS 104 14.587 10.183 -2.920 577 2HZ LYS 104 2HZ LYS 104 16.026 9.987 -2.044 578 3HZ LYS 104 3HZ LYS 104 14.553 9.477 -1.377 579 H VAL 105 H VAL 105 12.182 5.214 0.586 580 HA VAL 105 HA VAL 105 11.916 3.790 -1.956 581 HB VAL 105 HB VAL 105 9.716 3.403 -1.450 582 1HG1 VAL 105 1HG1 VAL 105 10.195 1.515 0.025 583 2HG1 VAL 105 2HG1 VAL 105 11.750 2.235 0.444 584 3HG1 VAL 105 3HG1 VAL 105 11.444 1.697 -1.207 585 1HG2 VAL 105 1HG2 VAL 105 9.314 5.086 0.238 586 2HG2 VAL 105 2HG2 VAL 105 10.476 4.312 1.315 587 3HG2 VAL 105 3HG2 VAL 105 8.984 3.477 0.879 588 H LYS 106 H LYS 106 10.265 4.547 -3.338 589 HA LYS 106 HA LYS 106 9.404 7.299 -2.791 590 1HB LYS 106 1HB LYS 106 10.949 7.141 -4.730 591 2HB LYS 106 2HB LYS 106 9.833 6.016 -5.496 592 1HG LYS 106 1HG LYS 106 8.200 7.668 -5.801 593 2HG LYS 106 2HG LYS 106 8.988 8.767 -4.668 594 1HD LYS 106 1HD LYS 106 10.930 8.856 -6.255 595 2HD LYS 106 2HD LYS 106 9.933 7.970 -7.413 596 1HE LYS 106 1HE LYS 106 8.377 9.731 -7.579 597 2HE LYS 106 2HE LYS 106 9.005 10.529 -6.137 598 1HZ LYS 106 1HZ LYS 106 10.384 10.273 -8.757 599 2HZ LYS 106 2HZ LYS 106 11.073 10.953 -7.363 600 3HZ LYS 106 3HZ LYS 106 9.733 11.693 -8.091 601 H VAL 107 H VAL 107 7.313 7.465 -2.422 602 HA VAL 107 HA VAL 107 5.672 5.156 -3.176 603 HB VAL 107 HB VAL 107 4.030 6.141 -1.796 604 1HG1 VAL 107 1HG1 VAL 107 5.395 4.200 -1.203 605 2HG1 VAL 107 2HG1 VAL 107 5.139 5.231 0.205 606 3HG1 VAL 107 3HG1 VAL 107 6.686 5.261 -0.639 607 1HG2 VAL 107 1HG2 VAL 107 4.963 8.407 -1.681 608 2HG2 VAL 107 2HG2 VAL 107 6.358 7.775 -0.805 609 3HG2 VAL 107 3HG2 VAL 107 4.750 7.675 -0.091 610 H HIS 108 H HIS 108 3.930 5.281 -4.390 611 HA HIS 108 HA HIS 108 2.731 7.917 -4.778 612 1HB HIS 108 1HB HIS 108 4.001 7.317 -6.859 613 2HB HIS 108 2HB HIS 108 2.998 5.876 -7.007 614 HD1 HIS 108 HD1 HIS 108 1.391 6.295 -8.863 615 HD2 HIS 108 HD2 HIS 108 1.918 9.652 -6.462 616 HE1 HIS 108 HE1 HIS 108 -0.208 8.022 -9.743 617 HE2 HIS 108 HE2 HIS 108 0.335 10.116 -8.458 618 H MET 109 H MET 109 1.057 7.622 -3.525 619 HA MET 109 HA MET 109 -0.571 5.202 -3.834 620 1HB MET 109 1HB MET 109 -0.857 7.479 -1.848 621 2HB MET 109 2HB MET 109 -1.811 6.005 -1.868 622 1HG MET 109 1HG MET 109 -0.263 5.683 -0.165 623 2HG MET 109 2HG MET 109 0.387 4.771 -1.525 624 1HE MET 109 1HE MET 109 0.675 8.023 0.648 625 2HE MET 109 2HE MET 109 0.436 8.686 -0.971 626 3HE MET 109 3HE MET 109 1.989 8.881 -0.159 627 H LYS 110 H LYS 110 -2.660 5.361 -4.661 628 HA LYS 110 HA LYS 110 -3.484 8.032 -5.469 629 1HB LYS 110 1HB LYS 110 -4.062 7.083 -7.777 630 2HB LYS 110 2HB LYS 110 -2.376 7.469 -7.455 631 1HG LYS 110 1HG LYS 110 -1.720 5.316 -7.561 632 2HG LYS 110 2HG LYS 110 -3.221 4.708 -6.862 633 1HD LYS 110 1HD LYS 110 -2.952 4.019 -9.199 634 2HD LYS 110 2HD LYS 110 -4.369 5.042 -8.973 635 1HE LYS 110 1HE LYS 110 -3.090 6.967 -9.803 636 2HE LYS 110 2HE LYS 110 -1.694 5.920 -10.054 637 1HZ LYS 110 1HZ LYS 110 -2.896 4.679 -11.687 638 2HZ LYS 110 2HZ LYS 110 -3.026 6.327 -12.085 639 3HZ LYS 110 3HZ LYS 110 -4.330 5.521 -11.362 640 H LYS 111 H LYS 111 -5.497 8.291 -4.863 641 HA LYS 111 HA LYS 111 -7.274 6.344 -4.169 642 1HB LYS 111 1HB LYS 111 -7.560 8.645 -3.642 643 2HB LYS 111 2HB LYS 111 -7.637 9.084 -5.338 644 1HG LYS 111 1HG LYS 111 -9.752 7.895 -5.575 645 2HG LYS 111 2HG LYS 111 -9.674 7.410 -3.878 646 1HD LYS 111 1HD LYS 111 -9.843 9.685 -3.162 647 2HD LYS 111 2HD LYS 111 -9.709 10.269 -4.823 648 1HE LYS 111 1HE LYS 111 -11.833 9.294 -5.387 649 2HE LYS 111 2HE LYS 111 -11.930 8.487 -3.824 650 1HZ LYS 111 1HZ LYS 111 -13.317 10.463 -3.907 651 2HZ LYS 111 2HZ LYS 111 -11.968 11.429 -4.244 652 3HZ LYS 111 3HZ LYS 111 -12.094 10.637 -2.751 653 H ALA 112 H ALA 112 -7.818 4.688 -5.383 654 HA ALA 112 HA ALA 112 -7.322 4.390 -8.069 655 1HB ALA 112 1HB ALA 112 -9.429 2.973 -6.441 656 2HB ALA 112 2HB ALA 112 -7.727 2.522 -6.550 657 3HB ALA 112 3HB ALA 112 -8.759 2.421 -7.977 658 H LEU 113 H LEU 113 -8.306 5.110 -9.863 659 HA LEU 113 HA LEU 113 -10.618 6.752 -9.707 660 1HB LEU 113 1HB LEU 113 -9.079 5.599 -12.024 661 2HB LEU 113 2HB LEU 113 -10.545 6.530 -12.265 662 HG LEU 113 HG LEU 113 -8.698 7.999 -12.601 663 1HD1 LEU 113 1HD1 LEU 113 -10.608 8.927 -11.379 664 2HD1 LEU 113 2HD1 LEU 113 -9.092 9.718 -10.949 665 3HD1 LEU 113 3HD1 LEU 113 -9.812 8.537 -9.854 666 1HD2 LEU 113 1HD2 LEU 113 -6.989 6.691 -11.423 667 2HD2 LEU 113 2HD2 LEU 113 -7.674 7.200 -9.879 668 3HD2 LEU 113 3HD2 LEU 113 -6.955 8.392 -10.963 669 H SER 114 H SER 114 -10.196 3.460 -9.690 670 HA SER 114 HA SER 114 -12.645 2.608 -10.844 671 1HB SER 114 1HB SER 114 -11.085 1.270 -8.621 672 2HB SER 114 2HB SER 114 -12.185 0.504 -9.769 673 HG SER 114 HG SER 114 -10.691 0.562 -11.291 674 H GLY 115 H GLY 115 -11.716 4.010 -7.802 675 1HA GLY 115 1HA GLY 115 -13.265 5.167 -6.439 676 2HA GLY 115 2HA GLY 115 -14.543 4.130 -7.052 677 H ASP 116 H ASP 116 -13.588 4.874 -4.296 678 HA ASP 116 HA ASP 116 -13.559 3.926 -2.244 679 1HB ASP 116 1HB ASP 116 -14.932 1.696 -3.752 680 2HB ASP 116 2HB ASP 116 -14.853 1.802 -1.996 681 H SER 117 H SER 117 -11.215 3.664 -3.640 682 HA SER 117 HA SER 117 -9.879 1.652 -2.150 683 1HB SER 117 1HB SER 117 -8.950 0.523 -4.267 684 2HB SER 117 2HB SER 117 -10.557 0.068 -3.715 685 HG SER 117 HG SER 117 -11.456 1.360 -5.302 686 H TYR 118 H TYR 118 -7.550 1.720 -2.513 687 HA TYR 118 HA TYR 118 -6.574 4.060 -4.008 688 1HB TYR 118 1HB TYR 118 -5.737 3.544 -1.141 689 2HB TYR 118 2HB TYR 118 -5.322 4.927 -2.153 690 HD1 TYR 118 HD1 TYR 118 -7.731 3.487 0.086 691 HD2 TYR 118 HD2 TYR 118 -7.043 6.595 -2.708 692 HE1 TYR 118 HE1 TYR 118 -9.647 4.729 1.018 693 HE2 TYR 118 HE2 TYR 118 -8.959 7.854 -1.801 694 HH TYR 118 HH TYR 118 -10.966 7.491 -0.534 695 H TRP 119 H TRP 119 -4.519 3.764 -4.891 696 HA TRP 119 HA TRP 119 -3.471 1.060 -4.643 697 1HB TRP 119 1HB TRP 119 -2.768 3.360 -6.458 698 2HB TRP 119 2HB TRP 119 -1.989 1.770 -6.519 699 HD1 TRP 119 HD1 TRP 119 -5.594 3.225 -6.902 700 HE1 TRP 119 HE1 TRP 119 -6.757 1.880 -8.786 701 HE3 TRP 119 HE3 TRP 119 -1.865 -0.096 -7.949 702 HZ2 TRP 119 HZ2 TRP 119 -6.146 -0.304 -10.477 703 HZ3 TRP 119 HZ3 TRP 119 -2.213 -1.765 -9.683 704 HH2 TRP 119 HH2 TRP 119 -4.312 -1.877 -10.943 705 H VAL 120 H VAL 120 -1.184 0.770 -4.512 706 HA VAL 120 HA VAL 120 0.328 2.875 -3.120 707 HB VAL 120 HB VAL 120 0.189 0.079 -2.444 708 1HG1 VAL 120 1HG1 VAL 120 1.743 2.375 -1.241 709 2HG1 VAL 120 2HG1 VAL 120 2.431 1.046 -2.174 710 3HG1 VAL 120 3HG1 VAL 120 1.674 0.728 -0.613 711 1HG2 VAL 120 1HG2 VAL 120 -0.813 2.530 -1.019 712 2HG2 VAL 120 2HG2 VAL 120 -0.756 0.903 -0.344 713 3HG2 VAL 120 3HG2 VAL 120 -1.797 1.248 -1.726 714 H PHE 121 H PHE 121 1.835 3.276 -4.675 715 HA PHE 121 HA PHE 121 3.305 0.964 -5.780 716 1HB PHE 121 1HB PHE 121 3.194 3.816 -6.766 717 2HB PHE 121 2HB PHE 121 4.143 2.533 -7.490 718 HD1 PHE 121 HD1 PHE 121 0.647 3.460 -6.654 719 HD2 PHE 121 HD2 PHE 121 3.237 1.256 -9.208 720 HE1 PHE 121 HE1 PHE 121 -1.269 2.857 -8.076 721 HE2 PHE 121 HE2 PHE 121 1.327 0.654 -10.631 722 HZ PHE 121 HZ PHE 121 -0.889 1.492 -10.134 723 H VAL 122 H VAL 122 5.257 0.592 -4.909 724 HA VAL 122 HA VAL 122 6.717 2.895 -3.791 725 HB VAL 122 HB VAL 122 7.854 1.418 -2.459 726 1HG1 VAL 122 1HG1 VAL 122 4.854 1.483 -2.178 727 2HG1 VAL 122 2HG1 VAL 122 5.984 2.717 -1.624 728 3HG1 VAL 122 3HG1 VAL 122 5.995 1.117 -0.883 729 1HG2 VAL 122 1HG2 VAL 122 6.926 -0.803 -2.051 730 2HG2 VAL 122 2HG2 VAL 122 7.565 -0.646 -3.685 731 3HG2 VAL 122 3HG2 VAL 122 5.824 -0.585 -3.412 732 H LYS 123 H LYS 123 9.003 2.814 -3.885 733 HA LYS 123 HA LYS 123 10.259 0.938 -5.697 734 1HB LYS 123 1HB LYS 123 9.401 2.678 -7.209 735 2HB LYS 123 2HB LYS 123 10.207 3.911 -6.252 736 1HG LYS 123 1HG LYS 123 12.375 2.682 -6.800 737 2HG LYS 123 2HG LYS 123 11.431 1.831 -8.028 738 1HD LYS 123 1HD LYS 123 10.779 4.021 -8.979 739 2HD LYS 123 2HD LYS 123 11.819 4.815 -7.797 740 1HE LYS 123 1HE LYS 123 12.666 2.923 -9.985 741 2HE LYS 123 2HE LYS 123 12.975 4.655 -9.903 742 1HZ LYS 123 1HZ LYS 123 14.267 4.174 -7.816 743 2HZ LYS 123 2HZ LYS 123 14.943 3.569 -9.246 744 3HZ LYS 123 3HZ LYS 123 14.128 2.523 -8.193 745 H ARG 124 H ARG 124 12.038 0.334 -4.568 746 HA ARG 124 HA ARG 124 13.191 2.079 -2.598 747 1HB ARG 124 1HB ARG 124 14.084 -0.615 -3.632 748 2HB ARG 124 2HB ARG 124 14.920 0.269 -2.365 749 1HG ARG 124 1HG ARG 124 12.647 0.270 -1.161 750 2HG ARG 124 2HG ARG 124 12.222 -1.012 -2.298 751 1HD ARG 124 1HD ARG 124 13.059 -2.009 -0.272 752 2HD ARG 124 2HD ARG 124 14.226 -2.266 -1.568 753 HE ARG 124 HE ARG 124 14.958 0.067 -0.239 754 1HH1 ARG 124 1HH1 ARG 124 14.763 -3.370 0.394 755 2HH1 ARG 124 2HH1 ARG 124 15.988 -3.334 1.631 756 1HH2 ARG 124 1HH2 ARG 124 16.606 0.097 1.380 757 2HH2 ARG 124 2HH2 ARG 124 17.034 -1.383 2.178 758 H VAL 125 H VAL 125 14.687 3.506 -2.863 759 HA VAL 125 HA VAL 125 15.838 5.051 -4.090 760 HB VAL 125 HB VAL 125 17.273 3.976 -2.823 761 1HG1 VAL 125 1HG1 VAL 125 18.702 2.161 -3.628 762 2HG1 VAL 125 2HG1 VAL 125 17.707 2.033 -5.080 763 3HG1 VAL 125 3HG1 VAL 125 17.011 1.672 -3.500 764 1HG2 VAL 125 1HG2 VAL 125 18.104 5.718 -4.231 765 2HG2 VAL 125 2HG2 VAL 125 18.366 4.574 -5.549 766 3HG2 VAL 125 3HG2 VAL 125 19.318 4.449 -4.070 767 H2 HC4 169 H2 HC4 169 -9.464 4.389 13.900 768 H3 HC4 169 H3 HC4 169 -10.746 6.129 13.887 769 H2' HC4 169 H2' HC4 169 -11.600 8.312 14.449 770 H3' HC4 169 H3' HC4 169 -11.416 10.541 15.459 771 H5' HC4 169 H5' HC4 169 -7.754 9.379 17.299 772 H6' HC4 169 H6' HC4 169 -7.905 7.191 16.210 773 'HO4 HC4 169 'HO4 HC4 169 -10.352 11.562 17.411 Start of MODEL 7 1 H LEU 26 H LEU 26 9.289 -5.769 -15.111 2 HA LEU 26 HA LEU 26 7.439 -4.224 -15.180 3 1HB LEU 26 1HB LEU 26 6.002 -6.578 -16.417 4 2HB LEU 26 2HB LEU 26 5.224 -5.116 -15.842 5 HG LEU 26 HG LEU 26 7.166 -5.318 -18.146 6 1HD1 LEU 26 1HD1 LEU 26 4.220 -4.693 -18.066 7 2HD1 LEU 26 2HD1 LEU 26 4.941 -6.201 -18.625 8 3HD1 LEU 26 3HD1 LEU 26 5.242 -4.701 -19.503 9 1HD2 LEU 26 1HD2 LEU 26 5.719 -2.917 -17.032 10 2HD2 LEU 26 2HD2 LEU 26 6.667 -2.948 -18.518 11 3HD2 LEU 26 3HD2 LEU 26 7.456 -3.209 -16.962 12 H ALA 27 H ALA 27 5.664 -4.370 -13.592 13 HA ALA 27 HA ALA 27 4.920 -4.877 -11.521 14 1HB ALA 27 1HB ALA 27 4.880 -7.192 -10.744 15 2HB ALA 27 2HB ALA 27 5.936 -7.662 -12.075 16 3HB ALA 27 3HB ALA 27 4.313 -7.060 -12.410 17 H PHE 28 H PHE 28 5.649 -4.805 -9.420 18 HA PHE 28 HA PHE 28 8.254 -5.530 -8.587 19 1HB PHE 28 1HB PHE 28 8.900 -3.619 -10.025 20 2HB PHE 28 2HB PHE 28 7.822 -2.572 -9.111 21 HD1 PHE 28 HD1 PHE 28 10.946 -4.513 -8.974 22 HD2 PHE 28 HD2 PHE 28 8.461 -1.675 -7.010 23 HE1 PHE 28 HE1 PHE 28 12.774 -4.005 -7.407 24 HE2 PHE 28 HE2 PHE 28 10.283 -1.161 -5.441 25 HZ PHE 28 HZ PHE 28 12.446 -2.330 -5.641 26 H GLY 29 H GLY 29 6.215 -2.692 -7.958 27 1HA GLY 29 1HA GLY 29 5.275 -3.851 -5.458 28 2HA GLY 29 2HA GLY 29 6.265 -2.401 -5.325 29 H ALA 30 H ALA 30 3.606 -3.486 -7.418 30 HA ALA 30 HA ALA 30 2.273 -0.913 -6.863 31 1HB ALA 30 1HB ALA 30 2.256 -2.518 -9.424 32 2HB ALA 30 2HB ALA 30 3.074 -0.977 -9.159 33 3HB ALA 30 3HB ALA 30 1.312 -1.060 -9.130 34 H ILE 31 H ILE 31 0.656 -1.371 -5.499 35 HA ILE 31 HA ILE 31 -1.089 -3.626 -6.179 36 HB ILE 31 HB ILE 31 0.178 -4.352 -4.615 37 1HG1 ILE 31 1HG1 ILE 31 -2.373 -4.520 -4.416 38 2HG1 ILE 31 2HG1 ILE 31 -1.324 -5.198 -3.197 39 1HG2 ILE 31 1HG2 ILE 31 0.490 -3.268 -2.420 40 2HG2 ILE 31 2HG2 ILE 31 -0.353 -1.848 -3.043 41 3HG2 ILE 31 3HG2 ILE 31 1.183 -2.347 -3.753 42 1HD1 ILE 31 1HD1 ILE 31 -2.772 -2.566 -3.003 43 2HD1 ILE 31 2HD1 ILE 31 -1.700 -3.246 -1.779 44 3HD1 ILE 31 3HD1 ILE 31 -3.209 -4.064 -2.182 45 H GLN 32 H GLN 32 -3.216 -3.311 -5.965 46 HA GLN 32 HA GLN 32 -4.051 -0.632 -5.122 47 1HB GLN 32 1HB GLN 32 -6.132 -1.051 -6.415 48 2HB GLN 32 2HB GLN 32 -4.673 -1.024 -7.387 49 1HG GLN 32 1HG GLN 32 -4.719 -3.335 -7.726 50 2HG GLN 32 2HG GLN 32 -5.914 -3.587 -6.451 51 1HE2 GLN 32 1HE2 GLN 32 -8.068 -3.023 -6.852 52 2HE2 GLN 32 2HE2 GLN 32 -8.681 -2.823 -8.459 53 H LEU 33 H LEU 33 -4.800 -0.494 -3.212 54 HA LEU 33 HA LEU 33 -6.489 -2.678 -2.134 55 1HB LEU 33 1HB LEU 33 -5.687 -2.012 0.118 56 2HB LEU 33 2HB LEU 33 -4.457 -2.729 -0.897 57 HG LEU 33 HG LEU 33 -3.746 -0.292 -1.407 58 1HD1 LEU 33 1HD1 LEU 33 -4.189 1.305 0.368 59 2HD1 LEU 33 2HD1 LEU 33 -5.259 0.149 1.162 60 3HD1 LEU 33 3HD1 LEU 33 -5.691 0.812 -0.414 61 1HD2 LEU 33 1HD2 LEU 33 -2.428 -1.896 -0.120 62 2HD2 LEU 33 2HD2 LEU 33 -3.332 -1.475 1.335 63 3HD2 LEU 33 3HD2 LEU 33 -2.304 -0.272 0.556 64 H ASP 34 H ASP 34 -7.986 -1.865 -0.422 65 HA ASP 34 HA ASP 34 -8.935 0.804 -1.238 66 1HB ASP 34 1HB ASP 34 -11.071 0.229 -0.100 67 2HB ASP 34 2HB ASP 34 -10.683 -0.812 -1.462 68 H GLY 35 H GLY 35 -9.708 2.272 0.346 69 1HA GLY 35 1HA GLY 35 -7.897 2.497 2.569 70 2HA GLY 35 2HA GLY 35 -9.171 3.632 2.141 71 H ASP 36 H ASP 36 -10.190 0.432 2.316 72 HA ASP 36 HA ASP 36 -11.531 0.940 4.864 73 1HB ASP 36 1HB ASP 36 -12.097 -0.926 2.555 74 2HB ASP 36 2HB ASP 36 -12.957 -1.036 4.098 75 H GLY 37 H GLY 37 -8.998 -0.794 3.441 76 1HA GLY 37 1HA GLY 37 -7.361 -1.691 5.000 77 2HA GLY 37 2HA GLY 37 -8.698 -2.322 5.948 78 H ASN 38 H ASN 38 -9.246 -2.710 2.637 79 HA ASN 38 HA ASN 38 -8.432 -5.540 2.873 80 1HB ASN 38 1HB ASN 38 -10.659 -4.224 1.320 81 2HB ASN 38 2HB ASN 38 -10.125 -5.864 0.986 82 1HD2 ASN 38 1HD2 ASN 38 -10.191 -4.549 4.220 83 2HD2 ASN 38 2HD2 ASN 38 -11.518 -5.506 4.785 84 H ILE 39 H ILE 39 -7.277 -6.515 1.251 85 HA ILE 39 HA ILE 39 -6.003 -4.735 -0.686 86 HB ILE 39 HB ILE 39 -5.632 -7.515 -0.040 87 1HG1 ILE 39 1HG1 ILE 39 -5.149 -6.103 1.867 88 2HG1 ILE 39 2HG1 ILE 39 -3.666 -6.741 1.175 89 1HG2 ILE 39 1HG2 ILE 39 -3.523 -7.250 -1.245 90 2HG2 ILE 39 2HG2 ILE 39 -3.958 -5.589 -1.651 91 3HG2 ILE 39 3HG2 ILE 39 -4.899 -6.930 -2.303 92 1HD1 ILE 39 1HD1 ILE 39 -4.743 -3.964 0.760 93 2HD1 ILE 39 2HD1 ILE 39 -3.240 -4.605 0.094 94 3HD1 ILE 39 3HD1 ILE 39 -3.423 -4.415 1.838 95 H LEU 40 H LEU 40 -6.538 -4.793 -2.825 96 HA LEU 40 HA LEU 40 -8.724 -6.620 -3.507 97 1HB LEU 40 1HB LEU 40 -9.002 -4.110 -3.644 98 2HB LEU 40 2HB LEU 40 -7.886 -4.139 -4.995 99 HG LEU 40 HG LEU 40 -9.430 -5.505 -6.289 100 1HD1 LEU 40 1HD1 LEU 40 -11.658 -6.035 -5.436 101 2HD1 LEU 40 2HD1 LEU 40 -11.224 -5.351 -3.868 102 3HD1 LEU 40 3HD1 LEU 40 -10.400 -6.794 -4.459 103 1HD2 LEU 40 1HD2 LEU 40 -10.796 -3.131 -5.023 104 2HD2 LEU 40 2HD2 LEU 40 -11.229 -3.875 -6.562 105 3HD2 LEU 40 3HD2 LEU 40 -9.669 -3.073 -6.377 106 H GLN 41 H GLN 41 -5.738 -5.269 -4.940 107 HA GLN 41 HA GLN 41 -5.193 -7.830 -6.171 108 1HB GLN 41 1HB GLN 41 -6.772 -6.715 -7.768 109 2HB GLN 41 2HB GLN 41 -5.576 -5.444 -7.983 110 1HG GLN 41 1HG GLN 41 -3.970 -7.156 -8.768 111 2HG GLN 41 2HG GLN 41 -5.258 -8.354 -8.666 112 1HE2 GLN 41 1HE2 GLN 41 -6.979 -8.247 -10.126 113 2HE2 GLN 41 2HE2 GLN 41 -6.870 -7.349 -11.602 114 H TYR 42 H TYR 42 -3.073 -8.109 -6.723 115 HA TYR 42 HA TYR 42 -1.263 -5.824 -6.262 116 1HB TYR 42 1HB TYR 42 -1.218 -7.371 -4.345 117 2HB TYR 42 2HB TYR 42 -0.882 -8.714 -5.426 118 HD1 TYR 42 HD1 TYR 42 1.340 -9.143 -6.202 119 HD2 TYR 42 HD2 TYR 42 0.523 -5.647 -3.920 120 HE1 TYR 42 HE1 TYR 42 3.755 -8.759 -5.941 121 HE2 TYR 42 HE2 TYR 42 2.935 -5.255 -3.648 122 HH TYR 42 HH TYR 42 5.043 -6.544 -3.720 123 H ASN 43 H ASN 43 0.222 -5.497 -7.857 124 HA ASN 43 HA ASN 43 0.269 -7.278 -10.133 125 1HB ASN 43 1HB ASN 43 1.810 -4.756 -9.487 126 2HB ASN 43 2HB ASN 43 2.069 -5.684 -10.960 127 1HD2 ASN 43 1HD2 ASN 43 -0.151 -3.673 -9.187 128 2HD2 ASN 43 2HD2 ASN 43 -1.192 -3.306 -10.521 129 H ALA 44 H ALA 44 1.100 -9.199 -9.487 130 HA ALA 44 HA ALA 44 3.480 -9.307 -7.845 131 1HB ALA 44 1HB ALA 44 1.832 -11.538 -9.031 132 2HB ALA 44 2HB ALA 44 1.625 -10.846 -7.421 133 3HB ALA 44 3HB ALA 44 3.106 -11.716 -7.826 134 H ALA 45 H ALA 45 2.533 -10.581 -11.037 135 HA ALA 45 HA ALA 45 5.241 -10.203 -11.995 136 1HB ALA 45 1HB ALA 45 3.989 -12.947 -11.979 137 2HB ALA 45 2HB ALA 45 5.315 -12.421 -10.943 138 3HB ALA 45 3HB ALA 45 5.542 -12.510 -12.690 139 H GLU 46 H GLU 46 5.400 -10.154 -14.230 140 HA GLU 46 HA GLU 46 2.906 -10.527 -15.738 141 1HB GLU 46 1HB GLU 46 3.328 -8.102 -15.310 142 2HB GLU 46 2HB GLU 46 4.863 -8.260 -16.153 143 1HG GLU 46 1HG GLU 46 3.116 -7.292 -17.566 144 2HG GLU 46 2HG GLU 46 3.722 -8.820 -18.205 145 H GLY 47 H GLY 47 3.597 -12.494 -16.521 146 1HA GLY 47 1HA GLY 47 4.574 -13.837 -18.125 147 2HA GLY 47 2HA GLY 47 5.438 -12.428 -18.720 148 H ASP 48 H ASP 48 6.919 -11.665 -16.580 149 HA ASP 48 HA ASP 48 9.015 -13.621 -16.586 150 1HB ASP 48 1HB ASP 48 9.485 -11.200 -16.667 151 2HB ASP 48 2HB ASP 48 8.783 -11.013 -15.063 152 H ILE 49 H ILE 49 9.277 -15.227 -15.192 153 HA ILE 49 HA ILE 49 7.867 -15.057 -12.616 154 HB ILE 49 HB ILE 49 8.112 -17.401 -12.592 155 1HG1 ILE 49 1HG1 ILE 49 8.653 -16.969 -15.528 156 2HG1 ILE 49 2HG1 ILE 49 9.814 -17.598 -14.363 157 1HG2 ILE 49 1HG2 ILE 49 6.423 -16.042 -14.687 158 2HG2 ILE 49 2HG2 ILE 49 6.031 -16.209 -12.976 159 3HG2 ILE 49 3HG2 ILE 49 6.121 -17.639 -14.004 160 1HD1 ILE 49 1HD1 ILE 49 8.368 -19.532 -13.979 161 2HD1 ILE 49 2HD1 ILE 49 8.834 -19.385 -15.674 162 3HD1 ILE 49 3HD1 ILE 49 7.217 -18.900 -15.158 163 H THR 50 H THR 50 10.279 -13.844 -12.664 164 HA THR 50 HA THR 50 12.331 -15.669 -11.758 165 HB THR 50 HB THR 50 12.201 -12.808 -11.534 166 HG1 THR 50 HG1 THR 50 12.062 -13.080 -13.669 167 1HG2 THR 50 1HG2 THR 50 14.453 -14.809 -11.601 168 2HG2 THR 50 2HG2 THR 50 13.946 -13.856 -10.206 169 3HG2 THR 50 3HG2 THR 50 14.638 -13.057 -11.617 170 H GLY 51 H GLY 51 11.079 -16.600 -9.990 171 1HA GLY 51 1HA GLY 51 11.785 -16.545 -7.597 172 2HA GLY 51 2HA GLY 51 11.216 -14.883 -7.591 173 H ARG 52 H ARG 52 9.526 -14.864 -6.277 174 HA ARG 52 HA ARG 52 7.303 -16.703 -6.823 175 1HB ARG 52 1HB ARG 52 8.296 -15.988 -4.058 176 2HB ARG 52 2HB ARG 52 6.917 -17.008 -4.434 177 1HG ARG 52 1HG ARG 52 8.392 -18.675 -5.407 178 2HG ARG 52 2HG ARG 52 9.786 -17.640 -5.083 179 1HD ARG 52 1HD ARG 52 9.226 -17.716 -2.673 180 2HD ARG 52 2HD ARG 52 7.924 -18.846 -3.041 181 HE ARG 52 HE ARG 52 10.053 -20.089 -4.100 182 1HH1 ARG 52 1HH1 ARG 52 9.446 -18.649 -0.959 183 2HH1 ARG 52 2HH1 ARG 52 10.600 -19.660 -0.136 184 1HH2 ARG 52 1HH2 ARG 52 11.571 -21.417 -3.005 185 2HH2 ARG 52 2HH2 ARG 52 11.786 -21.235 -1.292 186 H ASP 53 H ASP 53 5.261 -15.919 -5.818 187 HA ASP 53 HA ASP 53 5.143 -12.999 -5.737 188 1HB ASP 53 1HB ASP 53 2.771 -13.213 -5.966 189 2HB ASP 53 2HB ASP 53 3.482 -14.356 -7.098 190 HA PRO 54 HA PRO 54 4.992 -12.617 -1.390 191 1HB PRO 54 1HB PRO 54 2.663 -11.168 -0.959 192 2HB PRO 54 2HB PRO 54 4.231 -10.478 -1.386 193 1HG PRO 54 1HG PRO 54 1.888 -11.088 -3.128 194 2HG PRO 54 2HG PRO 54 3.008 -9.714 -3.188 195 1HD PRO 54 1HD PRO 54 3.200 -11.748 -4.925 196 2HD PRO 54 2HD PRO 54 4.645 -10.933 -4.290 197 H LYS 55 H LYS 55 1.739 -13.332 -2.662 198 HA LYS 55 HA LYS 55 -0.109 -14.098 -1.517 199 1HB LYS 55 1HB LYS 55 0.171 -16.611 -1.117 200 2HB LYS 55 2HB LYS 55 0.367 -15.993 -2.747 201 1HG LYS 55 1HG LYS 55 2.791 -16.129 -2.515 202 2HG LYS 55 2HG LYS 55 2.603 -16.727 -0.864 203 1HD LYS 55 1HD LYS 55 1.575 -18.731 -1.613 204 2HD LYS 55 2HD LYS 55 1.370 -18.095 -3.245 205 1HE LYS 55 1HE LYS 55 3.190 -19.702 -3.168 206 2HE LYS 55 2HE LYS 55 3.792 -18.092 -3.550 207 1HZ LYS 55 1HZ LYS 55 4.584 -17.842 -1.322 208 2HZ LYS 55 2HZ LYS 55 5.169 -19.313 -1.933 209 3HZ LYS 55 3HZ LYS 55 3.872 -19.305 -0.839 210 H GLN 56 H GLN 56 -0.080 -12.786 0.310 211 HA GLN 56 HA GLN 56 0.182 -14.197 2.807 212 1HB GLN 56 1HB GLN 56 2.487 -13.450 2.468 213 2HB GLN 56 2HB GLN 56 1.935 -11.805 2.195 214 1HG GLN 56 1HG GLN 56 1.007 -11.854 4.536 215 2HG GLN 56 2HG GLN 56 1.879 -13.370 4.755 216 1HE2 GLN 56 1HE2 GLN 56 2.197 -10.757 6.076 217 2HE2 GLN 56 2HE2 GLN 56 3.858 -10.323 5.832 218 H VAL 57 H VAL 57 0.303 -10.778 1.885 219 HA VAL 57 HA VAL 57 -1.995 -10.247 3.592 220 HB VAL 57 HB VAL 57 -0.061 -9.011 3.726 221 1HG1 VAL 57 1HG1 VAL 57 -0.772 -8.154 0.929 222 2HG1 VAL 57 2HG1 VAL 57 0.733 -8.888 1.481 223 3HG1 VAL 57 3HG1 VAL 57 0.314 -7.255 1.989 224 1HG2 VAL 57 1HG2 VAL 57 -2.145 -8.131 4.507 225 2HG2 VAL 57 2HG2 VAL 57 -2.549 -7.557 2.889 226 3HG2 VAL 57 3HG2 VAL 57 -1.194 -6.845 3.763 227 H ILE 58 H ILE 58 -1.152 -10.432 0.237 228 HA ILE 58 HA ILE 58 -3.278 -8.843 -0.772 229 HB ILE 58 HB ILE 58 -2.877 -9.795 -2.778 230 1HG1 ILE 58 1HG1 ILE 58 -0.862 -11.538 -1.356 231 2HG1 ILE 58 2HG1 ILE 58 -2.394 -12.107 -2.008 232 1HG2 ILE 58 1HG2 ILE 58 -0.428 -9.052 -1.188 233 2HG2 ILE 58 2HG2 ILE 58 -1.551 -7.931 -1.958 234 3HG2 ILE 58 3HG2 ILE 58 -0.563 -9.007 -2.947 235 1HD1 ILE 58 1HD1 ILE 58 -1.673 -11.496 -4.247 236 2HD1 ILE 58 2HD1 ILE 58 -0.533 -12.608 -3.490 237 3HD1 ILE 58 3HD1 ILE 58 -0.150 -10.889 -3.599 238 H GLY 59 H GLY 59 -5.039 -9.570 -2.065 239 1HA GLY 59 1HA GLY 59 -6.957 -10.795 -2.411 240 2HA GLY 59 2HA GLY 59 -6.045 -12.224 -1.940 241 H LYS 60 H LYS 60 -6.624 -9.324 -0.023 242 HA LYS 60 HA LYS 60 -7.748 -11.025 2.075 243 1HB LYS 60 1HB LYS 60 -5.828 -9.802 2.797 244 2HB LYS 60 2HB LYS 60 -6.443 -8.309 2.102 245 1HG LYS 60 1HG LYS 60 -6.597 -8.321 4.542 246 2HG LYS 60 2HG LYS 60 -8.185 -8.214 3.786 247 1HD LYS 60 1HD LYS 60 -8.256 -9.743 5.660 248 2HD LYS 60 2HD LYS 60 -8.503 -10.626 4.155 249 1HE LYS 60 1HE LYS 60 -7.015 -11.899 5.548 250 2HE LYS 60 2HE LYS 60 -6.094 -11.245 4.194 251 1HZ LYS 60 1HZ LYS 60 -5.334 -9.448 5.676 252 2HZ LYS 60 2HZ LYS 60 -4.849 -10.980 6.211 253 3HZ LYS 60 3HZ LYS 60 -6.141 -10.186 6.973 254 H ASN 61 H ASN 61 -9.869 -11.016 2.369 255 HA ASN 61 HA ASN 61 -11.281 -8.464 1.969 256 1HB ASN 61 1HB ASN 61 -13.212 -9.536 1.114 257 2HB ASN 61 2HB ASN 61 -11.859 -10.253 0.251 258 1HD2 ASN 61 1HD2 ASN 61 -11.300 -12.401 0.656 259 2HD2 ASN 61 2HD2 ASN 61 -12.375 -13.480 1.476 260 H PHE 62 H PHE 62 -12.206 -7.698 3.697 261 HA PHE 62 HA PHE 62 -13.356 -9.354 5.747 262 1HB PHE 62 1HB PHE 62 -10.865 -9.332 6.249 263 2HB PHE 62 2HB PHE 62 -11.020 -7.600 6.536 264 HD1 PHE 62 HD1 PHE 62 -11.892 -6.764 8.555 265 HD2 PHE 62 HD2 PHE 62 -12.078 -10.937 7.725 266 HE1 PHE 62 HE1 PHE 62 -12.560 -7.192 10.884 267 HE2 PHE 62 HE2 PHE 62 -12.748 -11.369 10.051 268 HZ PHE 62 HZ PHE 62 -12.953 -9.537 11.635 269 H PHE 63 H PHE 63 -15.210 -8.285 6.044 270 HA PHE 63 HA PHE 63 -15.201 -5.382 5.605 271 1HB PHE 63 1HB PHE 63 -17.448 -7.390 5.360 272 2HB PHE 63 2HB PHE 63 -17.604 -5.659 5.072 273 HD1 PHE 63 HD1 PHE 63 -16.580 -4.625 3.123 274 HD2 PHE 63 HD2 PHE 63 -16.339 -8.821 3.781 275 HE1 PHE 63 HE1 PHE 63 -15.885 -4.948 0.785 276 HE2 PHE 63 HE2 PHE 63 -15.641 -9.153 1.445 277 HZ PHE 63 HZ PHE 63 -15.415 -7.213 -0.055 278 H LYS 64 H LYS 64 -14.599 -6.721 8.200 279 HA LYS 64 HA LYS 64 -16.722 -5.383 9.740 280 1HB LYS 64 1HB LYS 64 -16.304 -7.949 10.048 281 2HB LYS 64 2HB LYS 64 -14.901 -7.432 10.971 282 1HG LYS 64 1HG LYS 64 -17.648 -6.395 11.588 283 2HG LYS 64 2HG LYS 64 -17.070 -7.928 12.236 284 1HD LYS 64 1HD LYS 64 -15.563 -5.346 12.576 285 2HD LYS 64 2HD LYS 64 -16.788 -5.892 13.720 286 1HE LYS 64 1HE LYS 64 -14.331 -7.458 12.943 287 2HE LYS 64 2HE LYS 64 -14.482 -6.478 14.402 288 1HZ LYS 64 1HZ LYS 64 -16.159 -8.841 13.715 289 2HZ LYS 64 2HZ LYS 64 -16.323 -7.893 15.109 290 3HZ LYS 64 3HZ LYS 64 -14.915 -8.805 14.870 291 H ASP 65 H ASP 65 -15.857 -3.390 9.759 292 HA ASP 65 HA ASP 65 -13.063 -2.912 10.197 293 1HB ASP 65 1HB ASP 65 -14.338 -1.494 8.692 294 2HB ASP 65 2HB ASP 65 -15.431 -1.039 9.992 295 H VAL 66 H VAL 66 -12.554 -1.051 11.849 296 HA VAL 66 HA VAL 66 -12.039 -0.659 14.015 297 HB VAL 66 HB VAL 66 -14.688 -1.620 14.615 298 1HG1 VAL 66 1HG1 VAL 66 -13.192 -1.316 16.531 299 2HG1 VAL 66 2HG1 VAL 66 -14.430 -0.060 16.491 300 3HG1 VAL 66 3HG1 VAL 66 -12.787 0.305 15.964 301 1HG2 VAL 66 1HG2 VAL 66 -14.829 0.024 12.837 302 2HG2 VAL 66 2HG2 VAL 66 -13.769 1.108 13.739 303 3HG2 VAL 66 3HG2 VAL 66 -15.366 0.711 14.370 304 H ALA 67 H ALA 67 -10.907 -2.746 13.251 305 HA ALA 67 HA ALA 67 -10.949 -4.563 15.494 306 1HB ALA 67 1HB ALA 67 -11.355 -5.641 12.706 307 2HB ALA 67 2HB ALA 67 -12.583 -5.581 13.970 308 3HB ALA 67 3HB ALA 67 -11.155 -6.593 14.180 309 HA PRO 68 HA PRO 68 -6.930 -5.161 12.820 310 1HB PRO 68 1HB PRO 68 -7.107 -2.928 10.899 311 2HB PRO 68 2HB PRO 68 -6.611 -4.603 10.634 312 1HG PRO 68 1HG PRO 68 -8.952 -3.691 9.718 313 2HG PRO 68 2HG PRO 68 -8.788 -5.340 10.350 314 1HD PRO 68 1HD PRO 68 -9.921 -2.908 11.683 315 2HD PRO 68 2HD PRO 68 -10.532 -4.576 11.680 316 H CYS 69 H CYS 69 -4.946 -4.067 13.168 317 HA CYS 69 HA CYS 69 -5.083 -2.022 15.146 318 1HB CYS 69 1HB CYS 69 -2.792 -3.311 13.672 319 2HB CYS 69 2HB CYS 69 -2.550 -2.047 14.870 320 H THR 70 H THR 70 -5.678 -0.009 14.573 321 HA THR 70 HA THR 70 -4.968 1.210 12.110 322 HB THR 70 HB THR 70 -6.768 1.845 13.264 323 HG1 THR 70 HG1 THR 70 -4.724 3.512 12.520 324 1HG2 THR 70 1HG2 THR 70 -6.616 3.140 15.331 325 2HG2 THR 70 2HG2 THR 70 -4.891 2.778 15.425 326 3HG2 THR 70 3HG2 THR 70 -6.073 1.476 15.552 327 H ASP 71 H ASP 71 -3.558 1.170 15.323 328 HA ASP 71 HA ASP 71 -1.505 1.636 16.127 329 1HB ASP 71 1HB ASP 71 -0.860 0.188 14.171 330 2HB ASP 71 2HB ASP 71 -0.571 1.660 13.254 331 H SER 72 H SER 72 -0.663 3.338 13.208 332 HA SER 72 HA SER 72 -1.232 5.912 14.467 333 1HB SER 72 1HB SER 72 1.167 5.238 14.934 334 2HB SER 72 2HB SER 72 1.448 5.290 13.194 335 HG SER 72 HG SER 72 1.979 7.293 13.789 336 HA PRO 73 HA PRO 73 -2.820 6.318 10.359 337 1HB PRO 73 1HB PRO 73 -3.844 8.789 10.592 338 2HB PRO 73 2HB PRO 73 -4.554 7.396 11.417 339 1HG PRO 73 1HG PRO 73 -2.731 9.513 12.497 340 2HG PRO 73 2HG PRO 73 -4.185 8.809 13.230 341 1HD PRO 73 1HD PRO 73 -1.650 8.039 13.887 342 2HD PRO 73 2HD PRO 73 -3.057 6.962 13.992 343 H GLU 74 H GLU 74 0.013 7.473 11.254 344 HA GLU 74 HA GLU 74 0.293 9.767 9.517 345 1HB GLU 74 1HB GLU 74 2.582 9.857 10.357 346 2HB GLU 74 2HB GLU 74 1.444 9.687 11.687 347 1HG GLU 74 1HG GLU 74 1.937 7.289 11.794 348 2HG GLU 74 2HG GLU 74 3.093 7.476 10.477 349 H PHE 75 H PHE 75 0.736 6.378 9.270 350 HA PHE 75 HA PHE 75 2.986 6.124 7.692 351 1HB PHE 75 1HB PHE 75 0.481 4.457 7.809 352 2HB PHE 75 2HB PHE 75 1.861 4.013 6.810 353 HD1 PHE 75 HD1 PHE 75 0.364 3.661 9.961 354 HD2 PHE 75 HD2 PHE 75 4.162 3.952 8.067 355 HE1 PHE 75 HE1 PHE 75 1.411 2.577 11.902 356 HE2 PHE 75 HE2 PHE 75 5.216 2.864 10.004 357 HZ PHE 75 HZ PHE 75 3.839 2.175 11.925 358 H TYR 76 H TYR 76 3.424 5.968 5.557 359 HA TYR 76 HA TYR 76 3.362 6.376 3.340 360 1HB TYR 76 1HB TYR 76 0.350 6.467 3.619 361 2HB TYR 76 2HB TYR 76 1.254 6.301 2.116 362 HD1 TYR 76 HD1 TYR 76 2.826 4.216 1.956 363 HD2 TYR 76 HD2 TYR 76 -0.388 4.554 4.721 364 HE1 TYR 76 HE1 TYR 76 2.766 1.766 2.176 365 HE2 TYR 76 HE2 TYR 76 -0.454 2.106 4.954 366 HH TYR 76 HH TYR 76 0.203 0.111 3.654 367 H GLY 77 H GLY 77 0.471 8.250 4.112 368 1HA GLY 77 1HA GLY 77 1.957 10.727 4.258 369 2HA GLY 77 2HA GLY 77 0.981 10.551 2.800 370 H LYS 78 H LYS 78 0.604 9.854 6.260 371 HA LYS 78 HA LYS 78 -1.176 9.952 7.648 372 1HB LYS 78 1HB LYS 78 -1.936 12.345 5.966 373 2HB LYS 78 2HB LYS 78 -2.686 11.911 7.495 374 1HG LYS 78 1HG LYS 78 -0.391 12.119 8.534 375 2HG LYS 78 2HG LYS 78 0.128 12.845 7.010 376 1HD LYS 78 1HD LYS 78 -2.094 13.857 8.792 377 2HD LYS 78 2HD LYS 78 -0.480 14.559 8.655 378 1HE LYS 78 1HE LYS 78 -2.369 14.274 6.327 379 2HE LYS 78 2HE LYS 78 -2.307 15.711 7.345 380 1HZ LYS 78 1HZ LYS 78 -0.035 16.067 6.715 381 2HZ LYS 78 2HZ LYS 78 -0.978 15.915 5.314 382 3HZ LYS 78 3HZ LYS 78 0.003 14.625 5.822 383 H PHE 79 H PHE 79 -1.656 7.925 6.528 384 HA PHE 79 HA PHE 79 -3.327 7.609 4.357 385 1HB PHE 79 1HB PHE 79 -2.025 5.779 5.369 386 2HB PHE 79 2HB PHE 79 -3.098 5.785 6.764 387 HD1 PHE 79 HD1 PHE 79 -4.879 4.308 6.799 388 HD2 PHE 79 HD2 PHE 79 -3.196 5.442 3.064 389 HE1 PHE 79 HE1 PHE 79 -6.359 2.707 5.652 390 HE2 PHE 79 HE2 PHE 79 -4.669 3.850 1.909 391 HZ PHE 79 HZ PHE 79 -6.252 2.481 3.191 392 H LYS 80 H LYS 80 -4.206 8.040 7.772 393 HA LYS 80 HA LYS 80 -6.924 7.331 7.501 394 1HB LYS 80 1HB LYS 80 -5.723 7.524 9.677 395 2HB LYS 80 2HB LYS 80 -5.743 9.274 9.492 396 1HG LYS 80 1HG LYS 80 -8.173 9.270 9.537 397 2HG LYS 80 2HG LYS 80 -8.179 7.510 9.665 398 1HD LYS 80 1HD LYS 80 -6.970 7.687 11.804 399 2HD LYS 80 2HD LYS 80 -7.032 9.445 11.675 400 1HE LYS 80 1HE LYS 80 -8.793 8.663 13.140 401 2HE LYS 80 2HE LYS 80 -9.487 9.341 11.668 402 1HZ LYS 80 1HZ LYS 80 -9.767 7.092 10.809 403 2HZ LYS 80 2HZ LYS 80 -10.580 7.284 12.280 404 3HZ LYS 80 3HZ LYS 80 -9.108 6.445 12.231 405 H GLU 81 H GLU 81 -5.183 10.268 6.828 406 HA GLU 81 HA GLU 81 -7.572 11.889 6.614 407 1HB GLU 81 1HB GLU 81 -5.372 12.846 7.314 408 2HB GLU 81 2HB GLU 81 -4.740 12.488 5.713 409 1HG GLU 81 1HG GLU 81 -5.347 14.819 5.903 410 2HG GLU 81 2HG GLU 81 -6.370 14.005 4.721 411 H GLY 82 H GLY 82 -5.385 10.121 4.552 412 1HA GLY 82 1HA GLY 82 -6.221 11.043 2.081 413 2HA GLY 82 2HA GLY 82 -5.485 9.491 2.394 414 H VAL 83 H VAL 83 -7.301 8.395 4.091 415 HA VAL 83 HA VAL 83 -9.229 7.331 2.308 416 HB VAL 83 HB VAL 83 -9.083 7.349 5.176 417 1HG1 VAL 83 1HG1 VAL 83 -11.331 6.793 4.384 418 2HG1 VAL 83 2HG1 VAL 83 -10.508 5.354 4.984 419 3HG1 VAL 83 3HG1 VAL 83 -10.649 5.627 3.248 420 1HG2 VAL 83 1HG2 VAL 83 -8.074 5.158 4.834 421 2HG2 VAL 83 2HG2 VAL 83 -7.102 6.448 4.124 422 3HG2 VAL 83 3HG2 VAL 83 -8.100 5.422 3.092 423 H ALA 84 H ALA 84 -9.500 9.581 5.047 424 HA ALA 84 HA ALA 84 -12.353 9.718 4.804 425 1HB ALA 84 1HB ALA 84 -11.276 9.878 6.992 426 2HB ALA 84 2HB ALA 84 -12.233 11.319 6.645 427 3HB ALA 84 3HB ALA 84 -10.476 11.368 6.491 428 H SER 85 H SER 85 -9.645 11.489 3.622 429 HA SER 85 HA SER 85 -11.043 13.788 2.730 430 1HB SER 85 1HB SER 85 -8.556 13.591 2.737 431 2HB SER 85 2HB SER 85 -8.670 12.447 1.401 432 HG SER 85 HG SER 85 -10.071 14.535 0.673 433 H GLY 86 H GLY 86 -10.667 10.551 1.458 434 1HA GLY 86 1HA GLY 86 -12.122 9.459 -0.003 435 2HA GLY 86 2HA GLY 86 -12.892 11.002 -0.356 436 H ASN 87 H ASN 87 -9.500 11.007 -0.457 437 HA ASN 87 HA ASN 87 -9.135 10.257 -3.157 438 1HB ASN 87 1HB ASN 87 -8.527 12.591 -4.001 439 2HB ASN 87 2HB ASN 87 -10.237 12.211 -3.873 440 1HD2 ASN 87 1HD2 ASN 87 -11.482 13.255 -2.373 441 2HD2 ASN 87 2HD2 ASN 87 -10.950 14.663 -1.517 442 H LEU 88 H LEU 88 -7.752 9.311 -1.286 443 HA LEU 88 HA LEU 88 -5.350 10.620 -0.623 444 1HB LEU 88 1HB LEU 88 -6.503 8.311 0.099 445 2HB LEU 88 2HB LEU 88 -5.329 7.697 -1.053 446 HG LEU 88 HG LEU 88 -4.715 9.452 1.266 447 1HD1 LEU 88 1HD1 LEU 88 -5.491 7.301 2.047 448 2HD1 LEU 88 2HD1 LEU 88 -3.748 7.424 2.297 449 3HD1 LEU 88 3HD1 LEU 88 -4.384 6.477 0.951 450 1HD2 LEU 88 1HD2 LEU 88 -2.888 7.928 -0.581 451 2HD2 LEU 88 2HD2 LEU 88 -2.374 8.816 0.855 452 3HD2 LEU 88 3HD2 LEU 88 -3.082 9.680 -0.509 453 H ASN 89 H ASN 89 -4.335 11.564 -2.416 454 HA ASN 89 HA ASN 89 -3.083 9.608 -4.167 455 1HB ASN 89 1HB ASN 89 -3.599 10.883 -6.206 456 2HB ASN 89 2HB ASN 89 -5.063 10.317 -5.411 457 1HD2 ASN 89 1HD2 ASN 89 -3.248 13.065 -6.432 458 2HD2 ASN 89 2HD2 ASN 89 -4.421 14.260 -5.990 459 H THR 90 H THR 90 -1.026 9.889 -3.452 460 HA THR 90 HA THR 90 0.244 12.381 -4.201 461 HB THR 90 HB THR 90 -0.607 12.682 -2.058 462 HG1 THR 90 HG1 THR 90 1.068 13.938 -1.866 463 1HG2 THR 90 1HG2 THR 90 -0.377 10.452 -1.139 464 2HG2 THR 90 2HG2 THR 90 0.551 11.611 -0.188 465 3HG2 THR 90 3HG2 THR 90 1.375 10.538 -1.318 466 H MET 91 H MET 91 2.566 12.258 -4.031 467 HA MET 91 HA MET 91 3.611 9.529 -3.797 468 1HB MET 91 1HB MET 91 5.166 9.957 -5.666 469 2HB MET 91 2HB MET 91 3.489 9.983 -6.176 470 1HG MET 91 1HG MET 91 5.099 12.460 -5.597 471 2HG MET 91 2HG MET 91 4.941 11.736 -7.196 472 1HE MET 91 1HE MET 91 2.735 15.010 -7.329 473 2HE MET 91 2HE MET 91 4.126 14.171 -8.016 474 3HE MET 91 3HE MET 91 4.197 14.791 -6.366 475 H PHE 92 H PHE 92 4.984 9.460 -2.204 476 HA PHE 92 HA PHE 92 6.733 11.780 -1.713 477 1HB PHE 92 1HB PHE 92 4.895 11.562 -0.019 478 2HB PHE 92 2HB PHE 92 5.506 9.964 0.383 479 HD1 PHE 92 HD1 PHE 92 6.059 13.561 0.672 480 HD2 PHE 92 HD2 PHE 92 7.555 9.699 1.655 481 HE1 PHE 92 HE1 PHE 92 7.554 14.570 2.343 482 HE2 PHE 92 HE2 PHE 92 9.053 10.703 3.330 483 HZ PHE 92 HZ PHE 92 9.053 13.140 3.674 484 H GLU 93 H GLU 93 8.889 11.258 -1.553 485 HA GLU 93 HA GLU 93 9.472 8.390 -1.497 486 1HB GLU 93 1HB GLU 93 11.751 9.078 -2.377 487 2HB GLU 93 2HB GLU 93 10.391 9.209 -3.477 488 1HG GLU 93 1HG GLU 93 10.279 11.634 -2.947 489 2HG GLU 93 2HG GLU 93 11.764 11.443 -2.009 490 H TYR 94 H TYR 94 10.212 7.559 0.242 491 HA TYR 94 HA TYR 94 11.230 9.344 2.344 492 1HB TYR 94 1HB TYR 94 9.046 8.179 2.752 493 2HB TYR 94 2HB TYR 94 9.896 6.644 2.639 494 HD1 TYR 94 HD1 TYR 94 11.512 5.995 4.403 495 HD2 TYR 94 HD2 TYR 94 9.148 9.520 4.723 496 HE1 TYR 94 HE1 TYR 94 11.981 6.083 6.815 497 HE2 TYR 94 HE2 TYR 94 9.616 9.619 7.134 498 HH TYR 94 HH TYR 94 10.226 7.899 8.944 499 H THR 95 H THR 95 13.222 9.047 3.037 500 HA THR 95 HA THR 95 14.695 6.691 2.086 501 HB THR 95 HB THR 95 15.679 9.037 3.420 502 HG1 THR 95 HG1 THR 95 14.359 9.179 1.290 503 1HG2 THR 95 1HG2 THR 95 17.181 7.126 3.340 504 2HG2 THR 95 2HG2 THR 95 17.717 8.390 2.230 505 3HG2 THR 95 3HG2 THR 95 16.893 6.959 1.609 506 H PHE 96 H PHE 96 14.452 5.067 3.527 507 HA PHE 96 HA PHE 96 14.186 5.473 6.330 508 1HB PHE 96 1HB PHE 96 14.757 3.017 4.672 509 2HB PHE 96 2HB PHE 96 14.661 2.964 6.429 510 HD1 PHE 96 HD1 PHE 96 12.539 3.360 7.572 511 HD2 PHE 96 HD2 PHE 96 12.786 3.275 3.322 512 HE1 PHE 96 HE1 PHE 96 10.095 3.119 7.438 513 HE2 PHE 96 HE2 PHE 96 10.341 3.047 3.183 514 HZ PHE 96 HZ PHE 96 8.993 2.967 5.242 515 H ASP 97 H ASP 97 15.860 6.682 7.080 516 HA ASP 97 HA ASP 97 18.600 5.887 6.630 517 1HB ASP 97 1HB ASP 97 17.790 8.300 6.861 518 2HB ASP 97 2HB ASP 97 17.595 7.972 8.579 519 H TYR 98 H TYR 98 18.246 3.740 7.505 520 HA TYR 98 HA TYR 98 18.715 3.663 10.395 521 1HB TYR 98 1HB TYR 98 16.735 1.901 8.921 522 2HB TYR 98 2HB TYR 98 17.241 1.663 10.589 523 HD1 TYR 98 HD1 TYR 98 15.089 3.530 8.342 524 HD2 TYR 98 HD2 TYR 98 16.553 3.293 12.330 525 HE1 TYR 98 HE1 TYR 98 13.273 5.008 9.090 526 HE2 TYR 98 HE2 TYR 98 14.739 4.771 13.089 527 HH TYR 98 HH TYR 98 13.219 6.415 12.229 528 H GLN 99 H GLN 99 20.105 2.029 11.025 529 HA GLN 99 HA GLN 99 21.737 0.456 10.849 530 1HB GLN 99 1HB GLN 99 20.098 -0.450 8.472 531 2HB GLN 99 2HB GLN 99 21.422 -1.363 9.181 532 1HG GLN 99 1HG GLN 99 20.199 -1.560 11.268 533 2HG GLN 99 2HG GLN 99 18.891 -0.583 10.608 534 1HE2 GLN 99 1HE2 GLN 99 20.471 -3.682 10.529 535 2HE2 GLN 99 2HE2 GLN 99 19.216 -4.519 9.685 536 H MET 100 H MET 100 22.589 -0.655 8.156 537 HA MET 100 HA MET 100 24.083 1.725 7.289 538 1HB MET 100 1HB MET 100 24.707 -1.217 7.086 539 2HB MET 100 2HB MET 100 25.601 0.002 6.187 540 1HG MET 100 1HG MET 100 25.336 -0.066 9.184 541 2HG MET 100 2HG MET 100 26.711 -0.694 8.276 542 1HE MET 100 1HE MET 100 26.988 1.445 5.938 543 2HE MET 100 2HE MET 100 28.350 0.795 6.851 544 3HE MET 100 3HE MET 100 28.177 2.538 6.648 545 H THR 101 H THR 101 21.440 -0.001 6.441 546 HA THR 101 HA THR 101 21.892 0.377 3.555 547 HB THR 101 HB THR 101 19.950 -1.290 4.849 548 HG1 THR 101 HG1 THR 101 22.664 -1.734 4.069 549 1HG2 THR 101 1HG2 THR 101 21.122 -1.180 2.076 550 2HG2 THR 101 2HG2 THR 101 19.489 -0.697 2.534 551 3HG2 THR 101 3HG2 THR 101 19.979 -2.385 2.667 552 HA PRO 102 HA PRO 102 18.590 3.387 4.459 553 1HB PRO 102 1HB PRO 102 19.596 4.901 2.219 554 2HB PRO 102 2HB PRO 102 19.648 5.316 3.932 555 1HG PRO 102 1HG PRO 102 21.864 4.718 2.430 556 2HG PRO 102 2HG PRO 102 21.766 4.515 4.189 557 1HD PRO 102 1HD PRO 102 21.491 2.465 2.023 558 2HD PRO 102 2HD PRO 102 22.300 2.339 3.601 559 H THR 103 H THR 103 16.821 2.271 3.744 560 HA THR 103 HA THR 103 16.438 1.672 0.955 561 HB THR 103 HB THR 103 14.581 1.685 3.150 562 HG1 THR 103 HG1 THR 103 15.604 -0.078 3.740 563 1HG2 THR 103 1HG2 THR 103 14.591 0.319 0.463 564 2HG2 THR 103 2HG2 THR 103 13.522 1.635 0.952 565 3HG2 THR 103 3HG2 THR 103 13.411 0.065 1.748 566 H LYS 104 H LYS 104 16.329 3.500 -0.240 567 HA LYS 104 HA LYS 104 14.473 5.622 0.512 568 1HB LYS 104 1HB LYS 104 16.701 6.280 -0.265 569 2HB LYS 104 2HB LYS 104 16.447 5.410 -1.772 570 1HG LYS 104 1HG LYS 104 14.547 6.938 -2.258 571 2HG LYS 104 2HG LYS 104 14.989 7.864 -0.820 572 1HD LYS 104 1HD LYS 104 17.223 8.250 -1.770 573 2HD LYS 104 2HD LYS 104 16.752 7.358 -3.218 574 1HE LYS 104 1HE LYS 104 15.423 9.870 -2.207 575 2HE LYS 104 2HE LYS 104 16.605 9.801 -3.512 576 1HZ LYS 104 1HZ LYS 104 15.120 8.542 -4.848 577 2HZ LYS 104 2HZ LYS 104 14.244 9.869 -4.242 578 3HZ LYS 104 3HZ LYS 104 14.034 8.332 -3.565 579 H VAL 105 H VAL 105 12.420 5.081 0.018 580 HA VAL 105 HA VAL 105 11.903 4.018 -2.661 581 HB VAL 105 HB VAL 105 9.981 3.074 -1.822 582 1HG1 VAL 105 1HG1 VAL 105 12.017 1.795 -2.231 583 2HG1 VAL 105 2HG1 VAL 105 11.153 1.173 -0.824 584 3HG1 VAL 105 3HG1 VAL 105 12.590 2.173 -0.607 585 1HG2 VAL 105 1HG2 VAL 105 9.776 2.688 0.568 586 2HG2 VAL 105 2HG2 VAL 105 9.691 4.409 0.192 587 3HG2 VAL 105 3HG2 VAL 105 11.171 3.725 0.864 588 H LYS 106 H LYS 106 9.817 4.485 -3.545 589 HA LYS 106 HA LYS 106 8.737 7.055 -2.604 590 1HB LYS 106 1HB LYS 106 8.347 5.750 -5.305 591 2HB LYS 106 2HB LYS 106 7.771 7.336 -4.830 592 1HG LYS 106 1HG LYS 106 10.229 7.951 -4.525 593 2HG LYS 106 2HG LYS 106 10.578 6.460 -5.413 594 1HD LYS 106 1HD LYS 106 8.914 7.337 -7.158 595 2HD LYS 106 2HD LYS 106 9.070 8.891 -6.344 596 1HE LYS 106 1HE LYS 106 11.249 7.304 -7.688 597 2HE LYS 106 2HE LYS 106 10.564 8.836 -8.222 598 1HZ LYS 106 1HZ LYS 106 12.313 8.319 -5.894 599 2HZ LYS 106 2HZ LYS 106 11.410 9.754 -6.036 600 3HZ LYS 106 3HZ LYS 106 12.576 9.370 -7.200 601 H VAL 107 H VAL 107 6.649 7.145 -1.903 602 HA VAL 107 HA VAL 107 4.946 4.813 -2.492 603 HB VAL 107 HB VAL 107 3.427 6.158 -1.027 604 1HG1 VAL 107 1HG1 VAL 107 4.223 4.686 0.784 605 2HG1 VAL 107 2HG1 VAL 107 5.692 4.355 -0.132 606 3HG1 VAL 107 3HG1 VAL 107 4.127 3.832 -0.757 607 1HG2 VAL 107 1HG2 VAL 107 4.638 7.101 0.853 608 2HG2 VAL 107 2HG2 VAL 107 4.979 7.995 -0.628 609 3HG2 VAL 107 3HG2 VAL 107 6.170 6.863 0.015 610 H HIS 108 H HIS 108 4.130 5.255 -4.485 611 HA HIS 108 HA HIS 108 2.678 7.793 -4.706 612 1HB HIS 108 1HB HIS 108 4.044 6.806 -6.665 613 2HB HIS 108 2HB HIS 108 2.750 5.621 -6.809 614 HD1 HIS 108 HD1 HIS 108 3.158 7.348 -9.204 615 HD2 HIS 108 HD2 HIS 108 0.714 8.506 -6.034 616 HE1 HIS 108 HE1 HIS 108 1.589 9.082 -10.147 617 HE2 HIS 108 HE2 HIS 108 0.086 9.743 -8.225 618 H MET 109 H MET 109 0.932 7.685 -3.533 619 HA MET 109 HA MET 109 -0.667 5.215 -3.596 620 1HB MET 109 1HB MET 109 0.390 6.139 -1.386 621 2HB MET 109 2HB MET 109 -0.898 7.333 -1.471 622 1HG MET 109 1HG MET 109 -2.571 5.689 -1.275 623 2HG MET 109 2HG MET 109 -1.422 4.384 -1.564 624 1HE MET 109 1HE MET 109 -1.629 2.855 0.398 625 2HE MET 109 2HE MET 109 -3.149 3.705 0.671 626 3HE MET 109 3HE MET 109 -2.058 3.393 2.022 627 H LYS 110 H LYS 110 -2.505 5.411 -4.754 628 HA LYS 110 HA LYS 110 -3.479 8.148 -5.186 629 1HB LYS 110 1HB LYS 110 -3.769 7.651 -7.591 630 2HB LYS 110 2HB LYS 110 -2.079 7.609 -7.106 631 1HG LYS 110 1HG LYS 110 -1.961 5.287 -7.269 632 2HG LYS 110 2HG LYS 110 -3.713 5.103 -7.222 633 1HD LYS 110 1HD LYS 110 -2.943 4.679 -9.459 634 2HD LYS 110 2HD LYS 110 -3.840 6.197 -9.443 635 1HE LYS 110 1HE LYS 110 -1.757 7.450 -9.410 636 2HE LYS 110 2HE LYS 110 -0.838 5.945 -9.358 637 1HZ LYS 110 1HZ LYS 110 -1.742 5.359 -11.524 638 2HZ LYS 110 2HZ LYS 110 -0.922 6.839 -11.594 639 3HZ LYS 110 3HZ LYS 110 -2.619 6.811 -11.576 640 H LYS 111 H LYS 111 -5.622 8.288 -4.849 641 HA LYS 111 HA LYS 111 -7.375 6.213 -4.564 642 1HB LYS 111 1HB LYS 111 -7.874 8.504 -4.041 643 2HB LYS 111 2HB LYS 111 -7.722 8.964 -5.725 644 1HG LYS 111 1HG LYS 111 -9.668 7.441 -6.213 645 2HG LYS 111 2HG LYS 111 -9.883 7.294 -4.465 646 1HD LYS 111 1HD LYS 111 -10.070 9.764 -4.341 647 2HD LYS 111 2HD LYS 111 -10.001 9.819 -6.103 648 1HE LYS 111 1HE LYS 111 -12.016 8.492 -6.269 649 2HE LYS 111 2HE LYS 111 -12.078 8.314 -4.516 650 1HZ LYS 111 1HZ LYS 111 -12.251 10.924 -5.934 651 2HZ LYS 111 2HZ LYS 111 -12.487 10.644 -4.277 652 3HZ LYS 111 3HZ LYS 111 -13.593 10.035 -5.403 653 H ALA 112 H ALA 112 -7.872 4.649 -5.901 654 HA ALA 112 HA ALA 112 -7.007 4.255 -8.450 655 1HB ALA 112 1HB ALA 112 -9.632 3.284 -7.324 656 2HB ALA 112 2HB ALA 112 -8.059 2.520 -7.092 657 3HB ALA 112 3HB ALA 112 -8.777 2.595 -8.701 658 H LEU 113 H LEU 113 -7.805 4.583 -10.528 659 HA LEU 113 HA LEU 113 -8.975 7.125 -10.897 660 1HB LEU 113 1HB LEU 113 -7.353 5.975 -12.438 661 2HB LEU 113 2HB LEU 113 -8.680 4.967 -12.981 662 HG LEU 113 HG LEU 113 -9.864 6.959 -13.803 663 1HD1 LEU 113 1HD1 LEU 113 -8.961 8.589 -12.214 664 2HD1 LEU 113 2HD1 LEU 113 -8.733 9.118 -13.881 665 3HD1 LEU 113 3HD1 LEU 113 -7.375 8.451 -12.975 666 1HD2 LEU 113 1HD2 LEU 113 -7.030 6.728 -14.800 667 2HD2 LEU 113 2HD2 LEU 113 -8.378 7.451 -15.677 668 3HD2 LEU 113 3HD2 LEU 113 -8.391 5.727 -15.304 669 H SER 114 H SER 114 -10.293 3.919 -10.801 670 HA SER 114 HA SER 114 -12.906 4.740 -11.695 671 1HB SER 114 1HB SER 114 -12.007 2.204 -10.298 672 2HB SER 114 2HB SER 114 -13.586 2.460 -11.044 673 HG SER 114 HG SER 114 -11.496 1.490 -12.218 674 H GLY 115 H GLY 115 -11.467 3.746 -8.585 675 1HA GLY 115 1HA GLY 115 -11.931 5.450 -6.783 676 2HA GLY 115 2HA GLY 115 -13.617 5.245 -7.228 677 H ASP 116 H ASP 116 -13.234 4.881 -4.712 678 HA ASP 116 HA ASP 116 -13.697 3.482 -3.003 679 1HB ASP 116 1HB ASP 116 -15.407 2.695 -4.699 680 2HB ASP 116 2HB ASP 116 -14.299 1.384 -5.089 681 H SER 117 H SER 117 -11.074 3.669 -3.953 682 HA SER 117 HA SER 117 -9.722 1.706 -2.502 683 1HB SER 117 1HB SER 117 -8.609 0.559 -4.515 684 2HB SER 117 2HB SER 117 -10.218 0.034 -4.039 685 HG SER 117 HG SER 117 -10.991 1.555 -5.699 686 H TYR 118 H TYR 118 -7.427 1.928 -2.639 687 HA TYR 118 HA TYR 118 -6.423 4.232 -4.170 688 1HB TYR 118 1HB TYR 118 -5.783 3.753 -1.240 689 2HB TYR 118 2HB TYR 118 -5.284 5.125 -2.228 690 HD1 TYR 118 HD1 TYR 118 -7.920 3.665 -0.242 691 HD2 TYR 118 HD2 TYR 118 -6.899 6.833 -2.857 692 HE1 TYR 118 HE1 TYR 118 -9.939 4.889 0.484 693 HE2 TYR 118 HE2 TYR 118 -8.903 8.084 -2.153 694 HH TYR 118 HH TYR 118 -10.783 7.196 0.549 695 H TRP 119 H TRP 119 -4.374 3.887 -4.992 696 HA TRP 119 HA TRP 119 -3.382 1.180 -4.753 697 1HB TRP 119 1HB TRP 119 -2.600 3.541 -6.448 698 2HB TRP 119 2HB TRP 119 -1.736 1.995 -6.486 699 HD1 TRP 119 HD1 TRP 119 -5.349 3.308 -7.098 700 HE1 TRP 119 HE1 TRP 119 -6.342 1.878 -9.017 701 HE3 TRP 119 HE3 TRP 119 -1.460 0.095 -7.802 702 HZ2 TRP 119 HZ2 TRP 119 -5.548 -0.340 -10.591 703 HZ3 TRP 119 HZ3 TRP 119 -1.627 -1.626 -9.503 704 HH2 TRP 119 HH2 TRP 119 -3.633 -1.851 -10.892 705 H VAL 120 H VAL 120 -1.143 0.768 -4.571 706 HA VAL 120 HA VAL 120 0.453 2.751 -3.092 707 HB VAL 120 HB VAL 120 0.346 -0.096 -2.670 708 1HG1 VAL 120 1HG1 VAL 120 1.810 0.438 -0.777 709 2HG1 VAL 120 2HG1 VAL 120 1.849 2.126 -1.284 710 3HG1 VAL 120 3HG1 VAL 120 2.560 0.881 -2.311 711 1HG2 VAL 120 1HG2 VAL 120 -1.662 0.936 -1.832 712 2HG2 VAL 120 2HG2 VAL 120 -0.711 2.182 -1.023 713 3HG2 VAL 120 3HG2 VAL 120 -0.595 0.503 -0.496 714 H PHE 121 H PHE 121 1.710 3.268 -4.854 715 HA PHE 121 HA PHE 121 3.135 1.123 -6.230 716 1HB PHE 121 1HB PHE 121 2.751 4.070 -6.726 717 2HB PHE 121 2HB PHE 121 3.988 3.155 -7.553 718 HD1 PHE 121 HD1 PHE 121 0.383 3.599 -7.110 719 HD2 PHE 121 HD2 PHE 121 3.444 1.671 -9.348 720 HE1 PHE 121 HE1 PHE 121 -1.282 2.904 -8.781 721 HE2 PHE 121 HE2 PHE 121 1.783 0.977 -11.027 722 HZ PHE 121 HZ PHE 121 -0.546 1.668 -10.808 723 H VAL 122 H VAL 122 4.865 0.487 -5.018 724 HA VAL 122 HA VAL 122 6.550 2.631 -3.921 725 HB VAL 122 HB VAL 122 7.532 1.008 -2.600 726 1HG1 VAL 122 1HG1 VAL 122 5.644 0.991 -1.028 727 2HG1 VAL 122 2HG1 VAL 122 4.571 1.497 -2.334 728 3HG1 VAL 122 3HG1 VAL 122 5.863 2.566 -1.790 729 1HG2 VAL 122 1HG2 VAL 122 6.968 -1.012 -3.790 730 2HG2 VAL 122 2HG2 VAL 122 5.249 -0.698 -3.558 731 3HG2 VAL 122 3HG2 VAL 122 6.275 -1.050 -2.169 732 H LYS 123 H LYS 123 8.606 2.821 -4.476 733 HA LYS 123 HA LYS 123 10.011 0.714 -5.882 734 1HB LYS 123 1HB LYS 123 9.554 3.436 -7.123 735 2HB LYS 123 2HB LYS 123 10.689 2.242 -7.730 736 1HG LYS 123 1HG LYS 123 8.788 0.712 -8.140 737 2HG LYS 123 2HG LYS 123 7.689 1.997 -7.634 738 1HD LYS 123 1HD LYS 123 7.805 2.007 -10.032 739 2HD LYS 123 2HD LYS 123 8.646 3.437 -9.429 740 1HE LYS 123 1HE LYS 123 10.788 2.197 -9.650 741 2HE LYS 123 2HE LYS 123 9.901 0.867 -10.391 742 1HZ LYS 123 1HZ LYS 123 10.806 2.162 -12.126 743 2HZ LYS 123 2HZ LYS 123 10.255 3.617 -11.446 744 3HZ LYS 123 3HZ LYS 123 9.145 2.513 -12.103 745 H ARG 124 H ARG 124 12.210 0.834 -5.519 746 HA ARG 124 HA ARG 124 13.022 2.946 -3.688 747 1HB ARG 124 1HB ARG 124 15.240 1.473 -3.796 748 2HB ARG 124 2HB ARG 124 13.888 1.080 -2.749 749 1HG ARG 124 1HG ARG 124 13.065 -0.468 -4.524 750 2HG ARG 124 2HG ARG 124 14.573 -0.166 -5.395 751 1HD ARG 124 1HD ARG 124 15.875 -1.132 -3.688 752 2HD ARG 124 2HD ARG 124 14.540 -1.098 -2.539 753 HE ARG 124 HE ARG 124 14.296 -2.786 -4.924 754 1HH1 ARG 124 1HH1 ARG 124 14.860 -2.540 -1.470 755 2HH1 ARG 124 2HH1 ARG 124 14.426 -4.196 -1.150 756 1HH2 ARG 124 1HH2 ARG 124 13.715 -4.975 -4.508 757 2HH2 ARG 124 2HH2 ARG 124 13.768 -5.574 -2.876 758 H VAL 125 H VAL 125 13.272 4.728 -4.853 759 HA VAL 125 HA VAL 125 15.600 5.078 -6.428 760 HB VAL 125 HB VAL 125 14.298 3.993 -7.927 761 1HG1 VAL 125 1HG1 VAL 125 12.241 4.978 -8.793 762 2HG1 VAL 125 2HG1 VAL 125 12.310 6.220 -7.542 763 3HG1 VAL 125 3HG1 VAL 125 12.078 4.528 -7.096 764 1HG2 VAL 125 1HG2 VAL 125 15.853 5.651 -8.708 765 2HG2 VAL 125 2HG2 VAL 125 14.640 6.916 -8.507 766 3HG2 VAL 125 3HG2 VAL 125 14.403 5.649 -9.711 767 H2 HC4 169 H2 HC4 169 -1.254 -2.529 17.196 768 H3 HC4 169 H3 HC4 169 -0.929 -1.212 18.881 769 H2' HC4 169 H2' HC4 169 -1.384 0.062 20.876 770 H3' HC4 169 H3' HC4 169 -2.877 1.003 22.580 771 H5' HC4 169 H5' HC4 169 -6.137 -1.151 20.889 772 H6' HC4 169 H6' HC4 169 -4.649 -2.029 19.150 773 'HO4 HC4 169 'HO4 HC4 169 -5.964 -0.241 23.180 Start of MODEL 8 1 H LEU 26 H LEU 26 7.692 -11.153 -0.279 2 HA LEU 26 HA LEU 26 6.054 -9.433 0.202 3 1HB LEU 26 1HB LEU 26 8.430 -9.123 0.783 4 2HB LEU 26 2HB LEU 26 8.717 -8.399 -0.787 5 HG LEU 26 HG LEU 26 7.164 -6.554 -0.184 6 1HD1 LEU 26 1HD1 LEU 26 7.194 -7.846 2.541 7 2HD1 LEU 26 2HD1 LEU 26 5.808 -7.750 1.454 8 3HD1 LEU 26 3HD1 LEU 26 6.491 -6.277 2.142 9 1HD2 LEU 26 1HD2 LEU 26 9.566 -6.289 0.102 10 2HD2 LEU 26 2HD2 LEU 26 9.466 -6.994 1.716 11 3HD2 LEU 26 3HD2 LEU 26 8.689 -5.447 1.380 12 H ALA 27 H ALA 27 4.543 -8.121 -0.625 13 HA ALA 27 HA ALA 27 4.195 -7.739 -3.386 14 1HB ALA 27 1HB ALA 27 2.347 -7.621 -1.790 15 2HB ALA 27 2HB ALA 27 2.437 -6.153 -2.762 16 3HB ALA 27 3HB ALA 27 3.029 -6.148 -1.101 17 H PHE 28 H PHE 28 5.258 -6.443 -4.737 18 HA PHE 28 HA PHE 28 6.325 -3.908 -3.735 19 1HB PHE 28 1HB PHE 28 8.098 -5.705 -3.596 20 2HB PHE 28 2HB PHE 28 8.005 -5.836 -5.350 21 HD1 PHE 28 HD1 PHE 28 9.115 -4.305 -6.749 22 HD2 PHE 28 HD2 PHE 28 8.857 -3.558 -2.567 23 HE1 PHE 28 HE1 PHE 28 10.749 -2.478 -6.980 24 HE2 PHE 28 HE2 PHE 28 10.490 -1.732 -2.790 25 HZ PHE 28 HZ PHE 28 11.440 -1.193 -4.985 26 H GLY 29 H GLY 29 6.703 -2.347 -5.367 27 1HA GLY 29 1HA GLY 29 6.649 -1.493 -7.547 28 2HA GLY 29 2HA GLY 29 5.966 -3.014 -8.106 29 H ALA 30 H ALA 30 3.836 -3.101 -8.477 30 HA ALA 30 HA ALA 30 2.279 -0.744 -7.640 31 1HB ALA 30 1HB ALA 30 1.823 -2.423 -10.119 32 2HB ALA 30 2HB ALA 30 2.761 -0.927 -10.083 33 3HB ALA 30 3HB ALA 30 1.041 -0.899 -9.691 34 H ILE 31 H ILE 31 1.038 -1.339 -5.991 35 HA ILE 31 HA ILE 31 -0.848 -3.501 -6.507 36 HB ILE 31 HB ILE 31 0.646 -4.411 -5.203 37 1HG1 ILE 31 1HG1 ILE 31 -1.865 -3.660 -3.768 38 2HG1 ILE 31 2HG1 ILE 31 -1.551 -5.070 -4.773 39 1HG2 ILE 31 1HG2 ILE 31 1.747 -2.464 -4.266 40 2HG2 ILE 31 2HG2 ILE 31 1.221 -3.545 -2.976 41 3HG2 ILE 31 3HG2 ILE 31 0.301 -2.082 -3.329 42 1HD1 ILE 31 1HD1 ILE 31 -1.578 -5.639 -2.409 43 2HD1 ILE 31 2HD1 ILE 31 -0.258 -4.504 -2.121 44 3HD1 ILE 31 3HD1 ILE 31 0.006 -5.928 -3.129 45 H GLN 32 H GLN 32 -2.889 -3.118 -5.819 46 HA GLN 32 HA GLN 32 -3.289 -0.503 -4.547 47 1HB GLN 32 1HB GLN 32 -5.357 -0.215 -5.695 48 2HB GLN 32 2HB GLN 32 -4.125 -0.614 -6.879 49 1HG GLN 32 1HG GLN 32 -5.089 -2.567 -7.440 50 2HG GLN 32 2HG GLN 32 -5.728 -2.857 -5.816 51 1HE2 GLN 32 1HE2 GLN 32 -6.272 -1.364 -8.891 52 2HE2 GLN 32 2HE2 GLN 32 -7.922 -0.927 -8.620 53 H LEU 33 H LEU 33 -4.680 -0.292 -2.916 54 HA LEU 33 HA LEU 33 -5.983 -2.749 -1.947 55 1HB LEU 33 1HB LEU 33 -5.606 -1.823 0.375 56 2HB LEU 33 2HB LEU 33 -4.199 -2.459 -0.447 57 HG LEU 33 HG LEU 33 -3.711 -0.005 -1.081 58 1HD1 LEU 33 1HD1 LEU 33 -4.555 1.640 0.515 59 2HD1 LEU 33 2HD1 LEU 33 -5.603 0.412 1.225 60 3HD1 LEU 33 3HD1 LEU 33 -5.856 0.934 -0.442 61 1HD2 LEU 33 1HD2 LEU 33 -2.564 0.355 1.060 62 2HD2 LEU 33 2HD2 LEU 33 -2.352 -1.287 0.449 63 3HD2 LEU 33 3HD2 LEU 33 -3.488 -0.974 1.760 64 H ASP 34 H ASP 34 -7.889 -2.370 -0.662 65 HA ASP 34 HA ASP 34 -9.448 -0.245 -1.865 66 1HB ASP 34 1HB ASP 34 -11.360 -1.205 -0.601 67 2HB ASP 34 2HB ASP 34 -10.551 -2.372 -1.640 68 H GLY 35 H GLY 35 -10.755 1.216 -0.636 69 1HA GLY 35 1HA GLY 35 -9.180 2.555 1.365 70 2HA GLY 35 2HA GLY 35 -10.740 3.074 0.739 71 H ASP 36 H ASP 36 -10.435 -0.128 1.876 72 HA ASP 36 HA ASP 36 -12.103 0.507 4.208 73 1HB ASP 36 1HB ASP 36 -12.966 -1.016 2.365 74 2HB ASP 36 2HB ASP 36 -11.720 -2.164 2.843 75 H GLY 37 H GLY 37 -9.235 -1.126 3.052 76 1HA GLY 37 1HA GLY 37 -7.355 -0.821 4.721 77 2HA GLY 37 2HA GLY 37 -8.434 -1.632 5.847 78 H ASN 38 H ASN 38 -8.711 -2.814 2.685 79 HA ASN 38 HA ASN 38 -7.023 -5.139 3.406 80 1HB ASN 38 1HB ASN 38 -9.409 -5.330 1.585 81 2HB ASN 38 2HB ASN 38 -8.637 -6.596 2.533 82 1HD2 ASN 38 1HD2 ASN 38 -10.822 -3.910 2.572 83 2HD2 ASN 38 2HD2 ASN 38 -11.546 -4.244 4.111 84 H ILE 39 H ILE 39 -6.003 -6.226 1.644 85 HA ILE 39 HA ILE 39 -5.183 -4.515 -0.486 86 HB ILE 39 HB ILE 39 -4.967 -7.350 -0.062 87 1HG1 ILE 39 1HG1 ILE 39 -3.835 -6.046 1.610 88 2HG1 ILE 39 2HG1 ILE 39 -2.659 -6.748 0.510 89 1HG2 ILE 39 1HG2 ILE 39 -4.822 -6.838 -2.450 90 2HG2 ILE 39 2HG2 ILE 39 -3.232 -7.240 -1.803 91 3HG2 ILE 39 3HG2 ILE 39 -3.658 -5.557 -2.113 92 1HD1 ILE 39 1HD1 ILE 39 -3.631 -3.902 0.440 93 2HD1 ILE 39 2HD1 ILE 39 -2.419 -4.617 -0.625 94 3HD1 ILE 39 3HD1 ILE 39 -2.094 -4.456 1.100 95 H LEU 40 H LEU 40 -5.867 -4.461 -2.592 96 HA LEU 40 HA LEU 40 -8.510 -5.668 -3.006 97 1HB LEU 40 1HB LEU 40 -8.061 -3.130 -3.052 98 2HB LEU 40 2HB LEU 40 -7.274 -3.427 -4.584 99 HG LEU 40 HG LEU 40 -9.507 -2.602 -4.929 100 1HD1 LEU 40 1HD1 LEU 40 -10.432 -4.326 -6.381 101 2HD1 LEU 40 2HD1 LEU 40 -9.347 -5.515 -5.661 102 3HD1 LEU 40 3HD1 LEU 40 -8.687 -4.165 -6.585 103 1HD2 LEU 40 1HD2 LEU 40 -10.437 -4.985 -3.338 104 2HD2 LEU 40 2HD2 LEU 40 -11.485 -3.880 -4.226 105 3HD2 LEU 40 3HD2 LEU 40 -10.542 -3.293 -2.859 106 H GLN 41 H GLN 41 -5.762 -4.611 -4.958 107 HA GLN 41 HA GLN 41 -5.787 -7.172 -6.373 108 1HB GLN 41 1HB GLN 41 -7.365 -5.788 -7.618 109 2HB GLN 41 2HB GLN 41 -6.163 -4.515 -7.765 110 1HG GLN 41 1HG GLN 41 -4.787 -5.916 -9.162 111 2HG GLN 41 2HG GLN 41 -5.886 -7.276 -8.936 112 1HE2 GLN 41 1HE2 GLN 41 -8.272 -5.625 -9.110 113 2HE2 GLN 41 2HE2 GLN 41 -8.448 -5.202 -10.776 114 H TYR 42 H TYR 42 -3.830 -7.807 -7.028 115 HA TYR 42 HA TYR 42 -1.596 -5.920 -6.702 116 1HB TYR 42 1HB TYR 42 -1.612 -7.771 -5.071 117 2HB TYR 42 2HB TYR 42 -1.633 -8.933 -6.389 118 HD1 TYR 42 HD1 TYR 42 0.370 -9.977 -6.796 119 HD2 TYR 42 HD2 TYR 42 0.422 -5.965 -5.389 120 HE1 TYR 42 HE1 TYR 42 2.828 -9.999 -6.846 121 HE2 TYR 42 HE2 TYR 42 2.883 -5.973 -5.436 122 HH TYR 42 HH TYR 42 4.731 -7.514 -5.423 123 H ASN 43 H ASN 43 -0.632 -5.357 -8.553 124 HA ASN 43 HA ASN 43 -0.781 -7.240 -10.804 125 1HB ASN 43 1HB ASN 43 -0.338 -4.949 -12.114 126 2HB ASN 43 2HB ASN 43 -1.957 -5.538 -11.753 127 1HD2 ASN 43 1HD2 ASN 43 -3.121 -4.560 -10.064 128 2HD2 ASN 43 2HD2 ASN 43 -2.711 -2.983 -9.489 129 H ALA 44 H ALA 44 1.079 -8.257 -10.794 130 HA ALA 44 HA ALA 44 3.542 -6.959 -10.084 131 1HB ALA 44 1HB ALA 44 4.573 -9.119 -10.534 132 2HB ALA 44 2HB ALA 44 3.067 -9.702 -11.244 133 3HB ALA 44 3HB ALA 44 3.137 -9.308 -9.526 134 H ALA 45 H ALA 45 4.292 -5.489 -11.471 135 HA ALA 45 HA ALA 45 3.985 -5.466 -14.243 136 1HB ALA 45 1HB ALA 45 6.254 -4.275 -12.648 137 2HB ALA 45 2HB ALA 45 4.688 -3.513 -12.920 138 3HB ALA 45 3HB ALA 45 5.766 -3.819 -14.280 139 H GLU 46 H GLU 46 4.953 -6.501 -15.855 140 HA GLU 46 HA GLU 46 6.436 -8.821 -15.339 141 1HB GLU 46 1HB GLU 46 6.153 -7.374 -17.970 142 2HB GLU 46 2HB GLU 46 6.667 -9.040 -17.756 143 1HG GLU 46 1HG GLU 46 4.490 -9.376 -18.283 144 2HG GLU 46 2HG GLU 46 4.349 -9.243 -16.531 145 H GLY 47 H GLY 47 8.233 -8.170 -14.119 146 1HA GLY 47 1HA GLY 47 10.471 -7.282 -15.834 147 2HA GLY 47 2HA GLY 47 10.428 -7.062 -14.084 148 H ASP 48 H ASP 48 9.070 -9.905 -15.304 149 HA ASP 48 HA ASP 48 11.402 -11.480 -14.432 150 1HB ASP 48 1HB ASP 48 8.473 -12.142 -14.018 151 2HB ASP 48 2HB ASP 48 9.838 -13.135 -13.519 152 H ILE 49 H ILE 49 11.659 -13.507 -15.445 153 HA ILE 49 HA ILE 49 10.687 -13.535 -18.195 154 HB ILE 49 HB ILE 49 12.364 -15.444 -16.851 155 1HG1 ILE 49 1HG1 ILE 49 13.068 -12.876 -18.278 156 2HG1 ILE 49 2HG1 ILE 49 13.282 -13.198 -16.560 157 1HG2 ILE 49 1HG2 ILE 49 13.126 -15.817 -19.162 158 2HG2 ILE 49 2HG2 ILE 49 11.932 -14.650 -19.734 159 3HG2 ILE 49 3HG2 ILE 49 11.404 -16.155 -18.983 160 1HD1 ILE 49 1HD1 ILE 49 14.684 -14.604 -18.821 161 2HD1 ILE 49 2HD1 ILE 49 14.886 -14.964 -17.105 162 3HD1 ILE 49 3HD1 ILE 49 15.379 -13.394 -17.743 163 H THR 50 H THR 50 8.485 -13.868 -17.359 164 HA THR 50 HA THR 50 7.799 -16.673 -17.430 165 HB THR 50 HB THR 50 8.181 -16.207 -15.221 166 HG1 THR 50 HG1 THR 50 6.597 -17.567 -14.940 167 1HG2 THR 50 1HG2 THR 50 6.003 -14.162 -15.550 168 2HG2 THR 50 2HG2 THR 50 7.676 -13.863 -15.087 169 3HG2 THR 50 3HG2 THR 50 6.608 -14.754 -14.003 170 H GLY 51 H GLY 51 5.258 -16.819 -17.333 171 1HA GLY 51 1HA GLY 51 4.244 -15.097 -19.380 172 2HA GLY 51 2HA GLY 51 3.333 -16.322 -18.508 173 H ARG 52 H ARG 52 2.434 -15.771 -16.452 174 HA ARG 52 HA ARG 52 2.380 -12.893 -15.837 175 1HB ARG 52 1HB ARG 52 0.097 -14.859 -15.555 176 2HB ARG 52 2HB ARG 52 0.085 -13.220 -14.928 177 1HG ARG 52 1HG ARG 52 0.086 -14.106 -17.795 178 2HG ARG 52 2HG ARG 52 -1.161 -13.209 -16.927 179 1HD ARG 52 1HD ARG 52 1.537 -12.261 -17.839 180 2HD ARG 52 2HD ARG 52 -0.047 -11.633 -18.281 181 HE ARG 52 HE ARG 52 0.532 -11.384 -15.476 182 1HH1 ARG 52 1HH1 ARG 52 0.763 -9.883 -18.626 183 2HH1 ARG 52 2HH1 ARG 52 1.205 -8.329 -17.993 184 1HH2 ARG 52 1HH2 ARG 52 1.107 -9.335 -14.638 185 2HH2 ARG 52 2HH2 ARG 52 1.420 -8.022 -15.730 186 H ASP 53 H ASP 53 1.794 -12.495 -13.507 187 HA ASP 53 HA ASP 53 2.674 -14.714 -11.782 188 1HB ASP 53 1HB ASP 53 4.422 -12.908 -12.028 189 2HB ASP 53 2HB ASP 53 3.286 -11.794 -11.274 190 HA PRO 54 HA PRO 54 -1.375 -13.295 -10.301 191 1HB PRO 54 1HB PRO 54 -2.644 -15.636 -10.451 192 2HB PRO 54 2HB PRO 54 -2.258 -14.712 -11.907 193 1HG PRO 54 1HG PRO 54 -1.023 -17.191 -10.865 194 2HG PRO 54 2HG PRO 54 -1.131 -16.605 -12.532 195 1HD PRO 54 1HD PRO 54 1.077 -16.381 -10.710 196 2HD PRO 54 2HD PRO 54 0.971 -15.778 -12.376 197 H LYS 55 H LYS 55 1.005 -14.385 -8.652 198 HA LYS 55 HA LYS 55 -0.587 -15.563 -6.467 199 1HB LYS 55 1HB LYS 55 1.388 -16.664 -5.677 200 2HB LYS 55 2HB LYS 55 1.249 -16.995 -7.397 201 1HG LYS 55 1HG LYS 55 2.901 -15.172 -7.809 202 2HG LYS 55 2HG LYS 55 3.128 -15.058 -6.062 203 1HD LYS 55 1HD LYS 55 4.862 -16.461 -6.858 204 2HD LYS 55 2HD LYS 55 3.679 -17.533 -6.105 205 1HE LYS 55 1HE LYS 55 4.297 -18.561 -8.146 206 2HE LYS 55 2HE LYS 55 2.700 -17.866 -8.406 207 1HZ LYS 55 1HZ LYS 55 3.869 -15.896 -9.385 208 2HZ LYS 55 2HZ LYS 55 4.002 -17.329 -10.285 209 3HZ LYS 55 3HZ LYS 55 5.302 -16.802 -9.335 210 H GLN 56 H GLN 56 0.275 -15.007 -4.256 211 HA GLN 56 HA GLN 56 0.808 -13.516 -2.634 212 1HB GLN 56 1HB GLN 56 2.978 -13.439 -3.818 213 2HB GLN 56 2HB GLN 56 2.378 -12.122 -4.813 214 1HG GLN 56 1HG GLN 56 2.224 -10.684 -2.887 215 2HG GLN 56 2HG GLN 56 2.685 -12.015 -1.822 216 1HE2 GLN 56 1HE2 GLN 56 3.790 -9.840 -4.326 217 2HE2 GLN 56 2HE2 GLN 56 5.481 -10.043 -4.027 218 H VAL 57 H VAL 57 -1.499 -13.221 -4.463 219 HA VAL 57 HA VAL 57 -1.976 -10.342 -4.501 220 HB VAL 57 HB VAL 57 -3.759 -12.494 -5.158 221 1HG1 VAL 57 1HG1 VAL 57 -4.712 -10.725 -6.629 222 2HG1 VAL 57 2HG1 VAL 57 -3.649 -9.561 -5.836 223 3HG1 VAL 57 3HG1 VAL 57 -4.893 -10.396 -4.906 224 1HG2 VAL 57 1HG2 VAL 57 -1.760 -11.077 -6.889 225 2HG2 VAL 57 2HG2 VAL 57 -3.022 -12.169 -7.456 226 3HG2 VAL 57 3HG2 VAL 57 -1.726 -12.778 -6.427 227 H ILE 58 H ILE 58 -3.832 -9.411 -3.429 228 HA ILE 58 HA ILE 58 -4.800 -8.884 -1.445 229 HB ILE 58 HB ILE 58 -6.597 -10.243 -0.913 230 1HG1 ILE 58 1HG1 ILE 58 -5.652 -11.886 -3.267 231 2HG1 ILE 58 2HG1 ILE 58 -5.766 -12.440 -1.601 232 1HG2 ILE 58 1HG2 ILE 58 -6.740 -8.383 -2.426 233 2HG2 ILE 58 2HG2 ILE 58 -7.727 -9.708 -3.042 234 3HG2 ILE 58 3HG2 ILE 58 -6.151 -9.376 -3.759 235 1HD1 ILE 58 1HD1 ILE 58 -8.070 -11.580 -3.335 236 2HD1 ILE 58 2HD1 ILE 58 -8.186 -12.140 -1.665 237 3HD1 ILE 58 3HD1 ILE 58 -7.632 -13.240 -2.930 238 H GLY 59 H GLY 59 -2.721 -9.336 -0.434 239 1HA GLY 59 1HA GLY 59 -2.476 -11.672 1.211 240 2HA GLY 59 2HA GLY 59 -1.428 -10.261 1.246 241 H LYS 60 H LYS 60 -3.735 -8.438 1.652 242 HA LYS 60 HA LYS 60 -4.034 -8.960 4.524 243 1HB LYS 60 1HB LYS 60 -2.821 -6.914 3.952 244 2HB LYS 60 2HB LYS 60 -4.173 -6.395 2.952 245 1HG LYS 60 1HG LYS 60 -5.596 -6.264 4.912 246 2HG LYS 60 2HG LYS 60 -4.265 -6.820 5.914 247 1HD LYS 60 1HD LYS 60 -4.260 -4.286 4.291 248 2HD LYS 60 2HD LYS 60 -4.609 -4.388 6.020 249 1HE LYS 60 1HE LYS 60 -2.025 -5.244 4.711 250 2HE LYS 60 2HE LYS 60 -2.275 -3.708 5.533 251 1HZ LYS 60 1HZ LYS 60 -1.176 -5.343 6.949 252 2HZ LYS 60 2HZ LYS 60 -2.508 -6.386 6.808 253 3HZ LYS 60 3HZ LYS 60 -2.682 -4.889 7.589 254 H ASN 61 H ASN 61 -6.014 -9.185 5.380 255 HA ASN 61 HA ASN 61 -8.313 -7.922 4.205 256 1HB ASN 61 1HB ASN 61 -8.220 -10.010 2.888 257 2HB ASN 61 2HB ASN 61 -8.236 -10.944 4.381 258 1HD2 ASN 61 1HD2 ASN 61 -10.148 -11.151 5.537 259 2HD2 ASN 61 2HD2 ASN 61 -11.686 -10.686 4.887 260 H PHE 62 H PHE 62 -8.742 -6.884 6.090 261 HA PHE 62 HA PHE 62 -8.649 -8.006 8.658 262 1HB PHE 62 1HB PHE 62 -10.162 -5.692 7.487 263 2HB PHE 62 2HB PHE 62 -10.374 -6.152 9.173 264 HD1 PHE 62 HD1 PHE 62 -8.379 -4.350 6.825 265 HD2 PHE 62 HD2 PHE 62 -8.310 -6.194 10.660 266 HE1 PHE 62 HE1 PHE 62 -6.378 -3.043 7.413 267 HE2 PHE 62 HE2 PHE 62 -6.314 -4.885 11.255 268 HZ PHE 62 HZ PHE 62 -5.382 -3.270 9.664 269 H PHE 63 H PHE 63 -9.725 -9.743 9.292 270 HA PHE 63 HA PHE 63 -12.546 -10.014 8.501 271 1HB PHE 63 1HB PHE 63 -11.193 -11.718 7.394 272 2HB PHE 63 2HB PHE 63 -10.509 -12.210 8.939 273 HD1 PHE 63 HD1 PHE 63 -11.531 -13.878 10.198 274 HD2 PHE 63 HD2 PHE 63 -13.714 -11.969 7.085 275 HE1 PHE 63 HE1 PHE 63 -13.358 -15.498 10.489 276 HE2 PHE 63 HE2 PHE 63 -15.544 -13.587 7.370 277 HZ PHE 63 HZ PHE 63 -15.339 -15.390 9.051 278 H LYS 64 H LYS 64 -10.205 -11.151 10.934 279 HA LYS 64 HA LYS 64 -12.381 -11.227 12.888 280 1HB LYS 64 1HB LYS 64 -10.725 -12.550 14.268 281 2HB LYS 64 2HB LYS 64 -11.274 -13.325 12.789 282 1HG LYS 64 1HG LYS 64 -9.187 -12.619 11.683 283 2HG LYS 64 2HG LYS 64 -8.644 -11.924 13.208 284 1HD LYS 64 1HD LYS 64 -9.309 -14.828 12.739 285 2HD LYS 64 2HD LYS 64 -7.684 -14.148 12.820 286 1HE LYS 64 1HE LYS 64 -8.163 -13.395 15.130 287 2HE LYS 64 2HE LYS 64 -9.734 -14.187 15.032 288 1HZ LYS 64 1HZ LYS 64 -8.609 -16.305 14.709 289 2HZ LYS 64 2HZ LYS 64 -8.116 -15.576 16.154 290 3HZ LYS 64 3HZ LYS 64 -7.097 -15.538 14.799 291 H ASP 65 H ASP 65 -12.567 -9.679 14.324 292 HA ASP 65 HA ASP 65 -10.469 -7.660 14.503 293 1HB ASP 65 1HB ASP 65 -12.137 -6.244 15.517 294 2HB ASP 65 2HB ASP 65 -12.852 -7.018 14.109 295 H VAL 66 H VAL 66 -10.156 -10.272 15.756 296 HA VAL 66 HA VAL 66 -10.523 -10.258 18.510 297 HB VAL 66 HB VAL 66 -9.901 -12.046 17.236 298 1HG1 VAL 66 1HG1 VAL 66 -7.575 -12.391 16.610 299 2HG1 VAL 66 2HG1 VAL 66 -7.186 -10.752 17.129 300 3HG1 VAL 66 3HG1 VAL 66 -8.267 -11.006 15.758 301 1HG2 VAL 66 1HG2 VAL 66 -8.342 -12.992 18.851 302 2HG2 VAL 66 2HG2 VAL 66 -9.652 -12.107 19.632 303 3HG2 VAL 66 3HG2 VAL 66 -8.050 -11.380 19.504 304 H ALA 67 H ALA 67 -8.175 -8.624 16.541 305 HA ALA 67 HA ALA 67 -6.620 -7.040 16.936 306 1HB ALA 67 1HB ALA 67 -8.260 -5.993 18.426 307 2HB ALA 67 2HB ALA 67 -6.609 -5.776 19.009 308 3HB ALA 67 3HB ALA 67 -7.663 -6.973 19.767 309 HA PRO 68 HA PRO 68 -3.662 -10.207 18.312 310 1HB PRO 68 1HB PRO 68 -1.925 -8.626 16.523 311 2HB PRO 68 2HB PRO 68 -2.273 -10.358 16.507 312 1HG PRO 68 1HG PRO 68 -3.258 -8.715 14.631 313 2HG PRO 68 2HG PRO 68 -4.186 -10.098 15.241 314 1HD PRO 68 1HD PRO 68 -4.443 -7.195 15.916 315 2HD PRO 68 2HD PRO 68 -5.714 -8.408 15.657 316 H CYS 69 H CYS 69 -1.914 -10.043 19.727 317 HA CYS 69 HA CYS 69 -1.748 -7.606 21.205 318 1HB CYS 69 1HB CYS 69 0.128 -9.964 21.414 319 2HB CYS 69 2HB CYS 69 -0.215 -8.755 22.646 320 H THR 70 H THR 70 -0.059 -8.970 18.546 321 HA THR 70 HA THR 70 1.620 -6.571 18.454 322 HB THR 70 HB THR 70 2.460 -9.183 17.610 323 HG1 THR 70 HG1 THR 70 2.458 -7.891 20.098 324 1HG2 THR 70 1HG2 THR 70 3.537 -7.273 16.528 325 2HG2 THR 70 2HG2 THR 70 4.640 -8.098 17.630 326 3HG2 THR 70 3HG2 THR 70 3.887 -6.579 18.113 327 H ASP 71 H ASP 71 1.564 -5.582 16.521 328 HA ASP 71 HA ASP 71 1.271 -7.000 14.056 329 1HB ASP 71 1HB ASP 71 -0.806 -6.115 13.301 330 2HB ASP 71 2HB ASP 71 -1.126 -6.775 14.900 331 H SER 72 H SER 72 1.594 -5.540 12.212 332 HA SER 72 HA SER 72 2.622 -2.909 12.959 333 1HB SER 72 1HB SER 72 4.724 -3.487 11.573 334 2HB SER 72 2HB SER 72 4.607 -4.131 13.210 335 HG SER 72 HG SER 72 3.488 -5.744 11.280 336 HA PRO 73 HA PRO 73 0.699 -2.465 8.836 337 1HB PRO 73 1HB PRO 73 -0.547 -0.075 9.831 338 2HB PRO 73 2HB PRO 73 -1.321 -1.589 9.358 339 1HG PRO 73 1HG PRO 73 -1.215 -0.618 11.940 340 2HG PRO 73 2HG PRO 73 -1.465 -2.318 11.512 341 1HD PRO 73 1HD PRO 73 1.026 -0.932 12.405 342 2HD PRO 73 2HD PRO 73 0.441 -2.565 12.793 343 H GLU 74 H GLU 74 2.466 -1.805 7.723 344 HA GLU 74 HA GLU 74 3.655 0.799 8.407 345 1HB GLU 74 1HB GLU 74 5.096 -1.264 8.589 346 2HB GLU 74 2HB GLU 74 4.917 -1.473 6.856 347 1HG GLU 74 1HG GLU 74 7.048 -0.426 7.498 348 2HG GLU 74 2HG GLU 74 6.073 0.581 6.428 349 H PHE 75 H PHE 75 4.669 1.903 6.458 350 HA PHE 75 HA PHE 75 4.626 2.789 4.372 351 1HB PHE 75 1HB PHE 75 2.972 0.353 3.749 352 2HB PHE 75 2HB PHE 75 3.291 1.598 2.545 353 HD1 PHE 75 HD1 PHE 75 4.605 -1.245 4.328 354 HD2 PHE 75 HD2 PHE 75 5.641 2.058 1.849 355 HE1 PHE 75 HE1 PHE 75 6.756 -2.321 3.802 356 HE2 PHE 75 HE2 PHE 75 7.791 0.989 1.319 357 HZ PHE 75 HZ PHE 75 8.371 -1.168 2.306 358 H TYR 76 H TYR 76 2.587 3.231 6.536 359 HA TYR 76 HA TYR 76 0.295 4.335 5.239 360 1HB TYR 76 1HB TYR 76 1.437 4.263 7.944 361 2HB TYR 76 2HB TYR 76 0.634 5.782 7.571 362 HD1 TYR 76 HD1 TYR 76 0.107 2.108 7.515 363 HD2 TYR 76 HD2 TYR 76 -1.698 5.949 7.811 364 HE1 TYR 76 HE1 TYR 76 -2.055 1.045 7.997 365 HE2 TYR 76 HE2 TYR 76 -3.868 4.895 8.297 366 HH TYR 76 HH TYR 76 -4.965 2.606 7.813 367 H GLY 77 H GLY 77 0.192 6.224 4.057 368 1HA GLY 77 1HA GLY 77 2.436 8.117 4.447 369 2HA GLY 77 2HA GLY 77 1.514 7.953 2.952 370 H LYS 78 H LYS 78 -0.641 8.644 2.905 371 HA LYS 78 HA LYS 78 -1.587 10.152 5.246 372 1HB LYS 78 1HB LYS 78 -2.031 10.919 2.346 373 2HB LYS 78 2HB LYS 78 -2.672 11.765 3.747 374 1HG LYS 78 1HG LYS 78 -0.373 12.305 4.437 375 2HG LYS 78 2HG LYS 78 0.227 11.519 2.975 376 1HD LYS 78 1HD LYS 78 0.122 13.890 2.580 377 2HD LYS 78 2HD LYS 78 -1.142 13.102 1.632 378 1HE LYS 78 1HE LYS 78 -2.118 15.031 2.609 379 2HE LYS 78 2HE LYS 78 -2.733 13.642 3.503 380 1HZ LYS 78 1HZ LYS 78 -0.610 15.529 4.351 381 2HZ LYS 78 2HZ LYS 78 -0.961 14.091 5.177 382 3HZ LYS 78 3HZ LYS 78 -2.136 15.313 5.061 383 H PHE 79 H PHE 79 -2.356 7.778 5.439 384 HA PHE 79 HA PHE 79 -4.379 7.043 3.489 385 1HB PHE 79 1HB PHE 79 -2.669 5.397 4.394 386 2HB PHE 79 2HB PHE 79 -3.576 5.428 5.907 387 HD1 PHE 79 HD1 PHE 79 -5.436 4.024 6.188 388 HD2 PHE 79 HD2 PHE 79 -3.948 4.800 2.279 389 HE1 PHE 79 HE1 PHE 79 -7.006 2.367 5.263 390 HE2 PHE 79 HE2 PHE 79 -5.506 3.147 1.349 391 HZ PHE 79 HZ PHE 79 -7.039 1.930 2.833 392 H LYS 80 H LYS 80 -4.150 7.971 6.895 393 HA LYS 80 HA LYS 80 -6.872 7.343 7.524 394 1HB LYS 80 1HB LYS 80 -4.979 9.303 8.848 395 2HB LYS 80 2HB LYS 80 -6.521 8.785 9.512 396 1HG LYS 80 1HG LYS 80 -5.674 6.472 9.586 397 2HG LYS 80 2HG LYS 80 -4.112 7.055 9.015 398 1HD LYS 80 1HD LYS 80 -5.429 8.095 11.508 399 2HD LYS 80 2HD LYS 80 -4.352 6.702 11.514 400 1HE LYS 80 1HE LYS 80 -3.014 8.543 12.112 401 2HE LYS 80 2HE LYS 80 -2.624 8.204 10.429 402 1HZ LYS 80 1HZ LYS 80 -3.885 10.059 9.719 403 2HZ LYS 80 2HZ LYS 80 -2.939 10.601 11.010 404 3HZ LYS 80 3HZ LYS 80 -4.586 10.279 11.245 405 H GLU 81 H GLU 81 -5.130 9.988 6.219 406 HA GLU 81 HA GLU 81 -7.338 11.832 6.192 407 1HB GLU 81 1HB GLU 81 -4.656 11.926 4.782 408 2HB GLU 81 2HB GLU 81 -5.776 13.267 4.945 409 1HG GLU 81 1HG GLU 81 -4.005 13.574 6.502 410 2HG GLU 81 2HG GLU 81 -5.469 13.171 7.393 411 H GLY 82 H GLY 82 -5.691 9.634 4.044 412 1HA GLY 82 1HA GLY 82 -6.502 10.487 1.584 413 2HA GLY 82 2HA GLY 82 -6.091 8.840 1.987 414 H VAL 83 H VAL 83 -8.060 8.396 3.872 415 HA VAL 83 HA VAL 83 -10.201 7.563 2.193 416 HB VAL 83 HB VAL 83 -10.007 7.806 5.047 417 1HG1 VAL 83 1HG1 VAL 83 -11.751 6.064 5.002 418 2HG1 VAL 83 2HG1 VAL 83 -11.845 6.219 3.247 419 3HG1 VAL 83 3HG1 VAL 83 -12.316 7.572 4.276 420 1HG2 VAL 83 1HG2 VAL 83 -9.363 5.556 3.158 421 2HG2 VAL 83 2HG2 VAL 83 -9.407 5.438 4.918 422 3HG2 VAL 83 3HG2 VAL 83 -8.213 6.471 4.132 423 H ALA 84 H ALA 84 -9.914 10.085 4.696 424 HA ALA 84 HA ALA 84 -12.718 10.715 4.344 425 1HB ALA 84 1HB ALA 84 -10.748 11.883 6.298 426 2HB ALA 84 2HB ALA 84 -11.811 10.511 6.613 427 3HB ALA 84 3HB ALA 84 -12.498 12.109 6.317 428 H SER 85 H SER 85 -9.647 12.031 3.480 429 HA SER 85 HA SER 85 -10.708 14.579 2.689 430 1HB SER 85 1HB SER 85 -8.583 14.919 1.558 431 2HB SER 85 2HB SER 85 -8.259 14.166 3.123 432 HG SER 85 HG SER 85 -7.090 13.207 1.367 433 H GLY 86 H GLY 86 -10.268 11.408 1.292 434 1HA GLY 86 1HA GLY 86 -11.564 10.432 -0.370 435 2HA GLY 86 2HA GLY 86 -12.307 11.999 -0.678 436 H ASN 87 H ASN 87 -8.903 11.870 -0.495 437 HA ASN 87 HA ASN 87 -8.535 11.555 -3.330 438 1HB ASN 87 1HB ASN 87 -7.556 13.808 -3.701 439 2HB ASN 87 2HB ASN 87 -9.275 13.850 -3.341 440 1HD2 ASN 87 1HD2 ASN 87 -9.979 14.770 -1.431 441 2HD2 ASN 87 2HD2 ASN 87 -8.948 15.734 -0.427 442 H LEU 88 H LEU 88 -7.490 10.001 -1.503 443 HA LEU 88 HA LEU 88 -4.869 10.641 -0.702 444 1HB LEU 88 1HB LEU 88 -6.512 8.573 -0.249 445 2HB LEU 88 2HB LEU 88 -5.456 7.854 -1.454 446 HG LEU 88 HG LEU 88 -4.605 9.123 1.105 447 1HD1 LEU 88 1HD1 LEU 88 -4.715 6.226 0.291 448 2HD1 LEU 88 2HD1 LEU 88 -5.747 7.018 1.482 449 3HD1 LEU 88 3HD1 LEU 88 -4.021 6.836 1.795 450 1HD2 LEU 88 1HD2 LEU 88 -2.896 9.387 -0.587 451 2HD2 LEU 88 2HD2 LEU 88 -2.976 7.666 -0.961 452 3HD2 LEU 88 3HD2 LEU 88 -2.384 8.198 0.612 453 H ASN 89 H ASN 89 -3.959 11.693 -2.585 454 HA ASN 89 HA ASN 89 -2.637 9.676 -4.210 455 1HB ASN 89 1HB ASN 89 -3.060 10.721 -6.318 456 2HB ASN 89 2HB ASN 89 -4.608 10.499 -5.525 457 1HD2 ASN 89 1HD2 ASN 89 -5.658 12.344 -4.628 458 2HD2 ASN 89 2HD2 ASN 89 -5.321 13.931 -5.233 459 H THR 90 H THR 90 -0.639 9.966 -3.371 460 HA THR 90 HA THR 90 0.636 12.539 -3.871 461 HB THR 90 HB THR 90 0.687 11.202 -1.317 462 HG1 THR 90 HG1 THR 90 -1.136 12.823 -2.395 463 1HG2 THR 90 1HG2 THR 90 1.802 13.842 -2.232 464 2HG2 THR 90 2HG2 THR 90 2.750 12.398 -1.876 465 3HG2 THR 90 3HG2 THR 90 1.844 13.201 -0.592 466 H MET 91 H MET 91 2.842 12.337 -4.247 467 HA MET 91 HA MET 91 3.967 9.643 -3.963 468 1HB MET 91 1HB MET 91 5.941 10.613 -5.206 469 2HB MET 91 2HB MET 91 4.446 10.524 -6.119 470 1HG MET 91 1HG MET 91 4.066 12.897 -5.763 471 2HG MET 91 2HG MET 91 5.523 12.993 -4.777 472 1HE MET 91 1HE MET 91 7.978 12.678 -5.722 473 2HE MET 91 2HE MET 91 8.328 12.253 -7.399 474 3HE MET 91 3HE MET 91 7.503 11.098 -6.349 475 H PHE 92 H PHE 92 4.956 9.207 -2.179 476 HA PHE 92 HA PHE 92 6.154 11.400 -0.614 477 1HB PHE 92 1HB PHE 92 4.045 10.577 0.373 478 2HB PHE 92 2HB PHE 92 4.680 8.939 0.375 479 HD1 PHE 92 HD1 PHE 92 4.904 12.252 1.934 480 HD2 PHE 92 HD2 PHE 92 6.207 8.207 2.060 481 HE1 PHE 92 HE1 PHE 92 5.790 12.612 4.202 482 HE2 PHE 92 HE2 PHE 92 7.103 8.561 4.323 483 HZ PHE 92 HZ PHE 92 6.894 10.765 5.399 484 H GLU 93 H GLU 93 8.266 11.098 -0.140 485 HA GLU 93 HA GLU 93 9.421 8.494 -0.736 486 1HB GLU 93 1HB GLU 93 10.698 11.129 0.049 487 2HB GLU 93 2HB GLU 93 11.602 9.647 -0.211 488 1HG GLU 93 1HG GLU 93 11.812 10.914 -2.178 489 2HG GLU 93 2HG GLU 93 10.683 9.612 -2.545 490 H TYR 94 H TYR 94 9.704 7.026 0.780 491 HA TYR 94 HA TYR 94 9.262 7.862 3.570 492 1HB TYR 94 1HB TYR 94 7.655 6.256 2.294 493 2HB TYR 94 2HB TYR 94 8.914 5.056 2.541 494 HD1 TYR 94 HD1 TYR 94 6.542 4.178 3.641 495 HD2 TYR 94 HD2 TYR 94 9.170 7.091 5.288 496 HE1 TYR 94 HE1 TYR 94 5.672 3.686 5.890 497 HE2 TYR 94 HE2 TYR 94 8.305 6.609 7.537 498 HH TYR 94 HH TYR 94 6.412 5.664 8.631 499 H THR 95 H THR 95 11.267 8.181 4.323 500 HA THR 95 HA THR 95 13.426 6.399 3.668 501 HB THR 95 HB THR 95 13.427 8.315 5.781 502 HG1 THR 95 HG1 THR 95 13.811 9.879 4.176 503 1HG2 THR 95 1HG2 THR 95 15.720 8.578 4.988 504 2HG2 THR 95 2HG2 THR 95 15.434 7.354 3.751 505 3HG2 THR 95 3HG2 THR 95 15.388 6.911 5.456 506 H PHE 96 H PHE 96 14.340 4.888 4.961 507 HA PHE 96 HA PHE 96 13.048 4.379 7.547 508 1HB PHE 96 1HB PHE 96 14.689 2.527 5.799 509 2HB PHE 96 2HB PHE 96 14.001 2.095 7.361 510 HD1 PHE 96 HD1 PHE 96 11.499 2.089 7.620 511 HD2 PHE 96 HD2 PHE 96 13.423 2.395 3.841 512 HE1 PHE 96 HE1 PHE 96 9.415 1.396 6.512 513 HE2 PHE 96 HE2 PHE 96 11.343 1.709 2.721 514 HZ PHE 96 HZ PHE 96 9.335 1.209 4.059 515 H ASP 97 H ASP 97 16.092 4.850 5.890 516 HA ASP 97 HA ASP 97 17.339 5.948 8.196 517 1HB ASP 97 1HB ASP 97 17.566 3.572 8.784 518 2HB ASP 97 2HB ASP 97 18.298 3.240 7.221 519 H TYR 98 H TYR 98 19.568 6.634 7.687 520 HA TYR 98 HA TYR 98 20.143 6.744 4.807 521 1HB TYR 98 1HB TYR 98 19.735 8.998 6.680 522 2HB TYR 98 2HB TYR 98 21.124 9.132 5.609 523 HD1 TYR 98 HD1 TYR 98 20.376 8.244 3.077 524 HD2 TYR 98 HD2 TYR 98 17.921 10.184 5.954 525 HE1 TYR 98 HE1 TYR 98 18.885 9.013 1.279 526 HE2 TYR 98 HE2 TYR 98 16.426 10.962 4.166 527 HH TYR 98 HH TYR 98 16.579 9.733 0.983 528 H GLN 99 H GLN 99 21.185 5.949 7.866 529 HA GLN 99 HA GLN 99 23.976 6.681 7.387 530 1HB GLN 99 1HB GLN 99 22.873 7.117 9.609 531 2HB GLN 99 2HB GLN 99 22.789 5.375 9.838 532 1HG GLN 99 1HG GLN 99 24.689 6.297 11.015 533 2HG GLN 99 2HG GLN 99 25.225 5.243 9.706 534 1HE2 GLN 99 1HE2 GLN 99 27.235 6.224 9.601 535 2HE2 GLN 99 2HE2 GLN 99 27.465 7.805 8.933 536 H MET 100 H MET 100 22.304 3.804 8.648 537 HA MET 100 HA MET 100 24.493 2.118 7.771 538 1HB MET 100 1HB MET 100 23.495 1.683 9.949 539 2HB MET 100 2HB MET 100 21.905 1.505 9.217 540 1HG MET 100 1HG MET 100 22.713 -0.470 8.000 541 2HG MET 100 2HG MET 100 24.276 -0.302 8.799 542 1HE MET 100 1HE MET 100 23.313 -0.947 12.553 543 2HE MET 100 2HE MET 100 23.338 0.620 11.742 544 3HE MET 100 3HE MET 100 24.616 -0.555 11.430 545 H THR 101 H THR 101 20.979 2.259 7.274 546 HA THR 101 HA THR 101 21.391 0.994 4.637 547 HB THR 101 HB THR 101 19.033 0.899 6.277 548 HG1 THR 101 HG1 THR 101 21.335 -0.785 6.124 549 1HG2 THR 101 1HG2 THR 101 20.024 -0.716 3.935 550 2HG2 THR 101 2HG2 THR 101 18.752 0.501 3.876 551 3HG2 THR 101 3HG2 THR 101 18.515 -0.973 4.814 552 HA PRO 102 HA PRO 102 19.532 5.087 3.853 553 1HB PRO 102 1HB PRO 102 20.879 5.634 1.606 554 2HB PRO 102 2HB PRO 102 21.646 5.764 3.194 555 1HG PRO 102 1HG PRO 102 21.856 3.584 1.160 556 2HG PRO 102 2HG PRO 102 23.124 4.298 2.173 557 1HD PRO 102 1HD PRO 102 21.839 1.920 2.719 558 2HD PRO 102 2HD PRO 102 22.643 2.930 3.935 559 H THR 103 H THR 103 18.560 2.326 2.966 560 HA THR 103 HA THR 103 17.699 2.662 0.251 561 HB THR 103 HB THR 103 16.681 0.916 2.289 562 HG1 THR 103 HG1 THR 103 19.125 1.105 0.991 563 1HG2 THR 103 1HG2 THR 103 16.839 0.758 -0.718 564 2HG2 THR 103 2HG2 THR 103 15.374 1.028 0.226 565 3HG2 THR 103 3HG2 THR 103 16.237 -0.505 0.354 566 H LYS 104 H LYS 104 16.458 4.438 0.044 567 HA LYS 104 HA LYS 104 14.093 4.751 1.737 568 1HB LYS 104 1HB LYS 104 15.529 6.710 1.461 569 2HB LYS 104 2HB LYS 104 15.383 6.594 -0.285 570 1HG LYS 104 1HG LYS 104 13.006 7.095 -0.138 571 2HG LYS 104 2HG LYS 104 13.126 7.180 1.621 572 1HD LYS 104 1HD LYS 104 13.166 9.411 0.639 573 2HD LYS 104 2HD LYS 104 14.703 9.043 1.427 574 1HE LYS 104 1HE LYS 104 15.607 8.403 -0.810 575 2HE LYS 104 2HE LYS 104 14.099 8.971 -1.524 576 1HZ LYS 104 1HZ LYS 104 15.815 10.658 -1.635 577 2HZ LYS 104 2HZ LYS 104 15.991 10.627 0.052 578 3HZ LYS 104 3HZ LYS 104 14.541 11.171 -0.640 579 H VAL 105 H VAL 105 12.082 4.370 0.966 580 HA VAL 105 HA VAL 105 11.854 3.626 -1.845 581 HB VAL 105 HB VAL 105 9.818 2.752 -1.298 582 1HG1 VAL 105 1HG1 VAL 105 12.174 1.786 0.321 583 2HG1 VAL 105 2HG1 VAL 105 11.854 1.409 -1.371 584 3HG1 VAL 105 3HG1 VAL 105 10.761 0.827 -0.114 585 1HG2 VAL 105 1HG2 VAL 105 10.584 3.377 1.543 586 2HG2 VAL 105 2HG2 VAL 105 9.206 2.408 1.017 587 3HG2 VAL 105 3HG2 VAL 105 9.270 4.129 0.638 588 H LYS 106 H LYS 106 9.909 4.205 -2.963 589 HA LYS 106 HA LYS 106 8.892 6.834 -2.126 590 1HB LYS 106 1HB LYS 106 10.226 7.039 -4.141 591 2HB LYS 106 2HB LYS 106 9.335 5.732 -4.908 592 1HG LYS 106 1HG LYS 106 7.338 7.071 -4.996 593 2HG LYS 106 2HG LYS 106 8.120 8.359 -4.079 594 1HD LYS 106 1HD LYS 106 9.075 7.390 -6.772 595 2HD LYS 106 2HD LYS 106 7.999 8.772 -6.545 596 1HE LYS 106 1HE LYS 106 9.719 9.838 -5.132 597 2HE LYS 106 2HE LYS 106 10.796 8.479 -5.453 598 1HZ LYS 106 1HZ LYS 106 11.097 10.532 -6.866 599 2HZ LYS 106 2HZ LYS 106 9.646 10.115 -7.639 600 3HZ LYS 106 3HZ LYS 106 10.973 9.062 -7.701 601 H VAL 107 H VAL 107 6.798 6.982 -1.759 602 HA VAL 107 HA VAL 107 5.117 4.661 -2.436 603 HB VAL 107 HB VAL 107 4.256 6.862 -0.849 604 1HG1 VAL 107 1HG1 VAL 107 2.989 5.050 0.200 605 2HG1 VAL 107 2HG1 VAL 107 3.761 3.884 -0.875 606 3HG1 VAL 107 3HG1 VAL 107 2.699 5.127 -1.539 607 1HG2 VAL 107 1HG2 VAL 107 6.031 4.619 0.128 608 2HG2 VAL 107 2HG2 VAL 107 5.166 5.774 1.143 609 3HG2 VAL 107 3HG2 VAL 107 6.457 6.330 0.076 610 H HIS 108 H HIS 108 4.363 5.098 -4.483 611 HA HIS 108 HA HIS 108 2.991 7.655 -4.817 612 1HB HIS 108 1HB HIS 108 4.235 6.533 -6.734 613 2HB HIS 108 2HB HIS 108 3.002 5.280 -6.704 614 HD1 HIS 108 HD1 HIS 108 3.503 7.028 -9.195 615 HD2 HIS 108 HD2 HIS 108 0.605 7.823 -6.315 616 HE1 HIS 108 HE1 HIS 108 1.760 8.426 -10.353 617 HE2 HIS 108 HE2 HIS 108 0.066 8.990 -8.566 618 H MET 109 H MET 109 1.296 7.686 -3.505 619 HA MET 109 HA MET 109 -0.415 5.302 -3.344 620 1HB MET 109 1HB MET 109 0.540 7.073 -1.382 621 2HB MET 109 2HB MET 109 -1.150 7.511 -1.593 622 1HG MET 109 1HG MET 109 -1.836 5.248 -1.114 623 2HG MET 109 2HG MET 109 -0.156 4.728 -1.022 624 1HE MET 109 1HE MET 109 -0.493 3.612 1.306 625 2HE MET 109 2HE MET 109 -2.204 4.040 1.277 626 3HE MET 109 3HE MET 109 -1.226 4.408 2.697 627 H LYS 110 H LYS 110 -2.360 5.348 -4.401 628 HA LYS 110 HA LYS 110 -3.098 7.947 -5.540 629 1HB LYS 110 1HB LYS 110 -1.575 6.944 -7.139 630 2HB LYS 110 2HB LYS 110 -2.479 5.437 -7.109 631 1HG LYS 110 1HG LYS 110 -4.379 6.540 -8.133 632 2HG LYS 110 2HG LYS 110 -3.508 8.074 -8.129 633 1HD LYS 110 1HD LYS 110 -1.782 7.053 -9.569 634 2HD LYS 110 2HD LYS 110 -2.741 5.573 -9.626 635 1HE LYS 110 1HE LYS 110 -3.121 6.919 -11.617 636 2HE LYS 110 2HE LYS 110 -4.590 6.814 -10.645 637 1HZ LYS 110 1HZ LYS 110 -4.169 9.003 -9.774 638 2HZ LYS 110 2HZ LYS 110 -4.158 9.068 -11.470 639 3HZ LYS 110 3HZ LYS 110 -2.696 9.101 -10.613 640 H LYS 111 H LYS 111 -5.181 8.227 -5.060 641 HA LYS 111 HA LYS 111 -7.046 6.336 -4.462 642 1HB LYS 111 1HB LYS 111 -7.365 8.660 -4.103 643 2HB LYS 111 2HB LYS 111 -7.244 9.007 -5.817 644 1HG LYS 111 1HG LYS 111 -9.345 7.680 -6.156 645 2HG LYS 111 2HG LYS 111 -9.492 7.600 -4.395 646 1HD LYS 111 1HD LYS 111 -9.493 10.054 -4.296 647 2HD LYS 111 2HD LYS 111 -9.383 10.114 -6.055 648 1HE LYS 111 1HE LYS 111 -11.529 8.941 -6.227 649 2HE LYS 111 2HE LYS 111 -11.644 8.900 -4.468 650 1HZ LYS 111 1HZ LYS 111 -11.616 11.342 -4.482 651 2HZ LYS 111 2HZ LYS 111 -12.943 10.712 -5.322 652 3HZ LYS 111 3HZ LYS 111 -11.618 11.333 -6.178 653 H ALA 112 H ALA 112 -7.814 4.717 -5.556 654 HA ALA 112 HA ALA 112 -7.074 4.132 -8.182 655 1HB ALA 112 1HB ALA 112 -8.509 2.192 -7.989 656 2HB ALA 112 2HB ALA 112 -9.322 2.900 -6.594 657 3HB ALA 112 3HB ALA 112 -7.623 2.438 -6.484 658 H LEU 113 H LEU 113 -8.221 4.060 -10.098 659 HA LEU 113 HA LEU 113 -10.151 6.165 -10.399 660 1HB LEU 113 1HB LEU 113 -9.035 4.188 -12.392 661 2HB LEU 113 2HB LEU 113 -10.137 5.485 -12.805 662 HG LEU 113 HG LEU 113 -8.009 6.255 -13.422 663 1HD1 LEU 113 1HD1 LEU 113 -9.282 7.947 -12.272 664 2HD1 LEU 113 2HD1 LEU 113 -7.566 8.139 -11.910 665 3HD1 LEU 113 3HD1 LEU 113 -8.643 7.409 -10.718 666 1HD2 LEU 113 1HD2 LEU 113 -6.658 4.605 -12.259 667 2HD2 LEU 113 2HD2 LEU 113 -6.997 5.395 -10.719 668 3HD2 LEU 113 3HD2 LEU 113 -6.056 6.236 -11.952 669 H SER 114 H SER 114 -10.328 2.950 -9.546 670 HA SER 114 HA SER 114 -12.893 2.376 -10.720 671 1HB SER 114 1HB SER 114 -11.215 0.604 -10.141 672 2HB SER 114 2HB SER 114 -11.499 0.957 -8.439 673 HG SER 114 HG SER 114 -13.326 -0.081 -10.351 674 H GLY 115 H GLY 115 -11.671 3.238 -7.495 675 1HA GLY 115 1HA GLY 115 -13.012 4.981 -6.346 676 2HA GLY 115 2HA GLY 115 -14.424 4.034 -6.790 677 H ASP 116 H ASP 116 -13.464 4.896 -4.163 678 HA ASP 116 HA ASP 116 -13.215 4.140 -2.037 679 1HB ASP 116 1HB ASP 116 -14.765 1.826 -3.210 680 2HB ASP 116 2HB ASP 116 -14.511 2.068 -1.485 681 H SER 117 H SER 117 -11.026 3.697 -3.621 682 HA SER 117 HA SER 117 -9.630 1.706 -2.116 683 1HB SER 117 1HB SER 117 -8.785 0.638 -4.323 684 2HB SER 117 2HB SER 117 -10.333 0.125 -3.651 685 HG SER 117 HG SER 117 -11.397 1.345 -5.161 686 H TYR 118 H TYR 118 -7.338 1.846 -2.448 687 HA TYR 118 HA TYR 118 -6.387 4.173 -3.958 688 1HB TYR 118 1HB TYR 118 -5.796 3.789 -1.006 689 2HB TYR 118 2HB TYR 118 -5.226 5.107 -2.027 690 HD1 TYR 118 HD1 TYR 118 -7.942 3.830 -0.042 691 HD2 TYR 118 HD2 TYR 118 -6.809 6.792 -2.855 692 HE1 TYR 118 HE1 TYR 118 -9.919 5.163 0.589 693 HE2 TYR 118 HE2 TYR 118 -8.783 8.148 -2.244 694 HH TYR 118 HH TYR 118 -11.071 7.715 -1.228 695 H TRP 119 H TRP 119 -4.305 3.935 -4.734 696 HA TRP 119 HA TRP 119 -3.266 1.241 -4.589 697 1HB TRP 119 1HB TRP 119 -2.529 3.659 -6.233 698 2HB TRP 119 2HB TRP 119 -1.680 2.108 -6.338 699 HD1 TRP 119 HD1 TRP 119 -5.313 3.426 -6.808 700 HE1 TRP 119 HE1 TRP 119 -6.341 2.100 -8.781 701 HE3 TRP 119 HE3 TRP 119 -1.411 0.309 -7.800 702 HZ2 TRP 119 HZ2 TRP 119 -5.567 0.001 -10.512 703 HZ3 TRP 119 HZ3 TRP 119 -1.607 -1.304 -9.601 704 HH2 TRP 119 HH2 TRP 119 -3.643 -1.468 -10.953 705 H VAL 120 H VAL 120 -1.019 0.874 -4.436 706 HA VAL 120 HA VAL 120 0.610 2.902 -3.072 707 HB VAL 120 HB VAL 120 0.494 0.078 -2.497 708 1HG1 VAL 120 1HG1 VAL 120 2.729 1.032 -2.271 709 2HG1 VAL 120 2HG1 VAL 120 2.033 0.710 -0.681 710 3HG1 VAL 120 3HG1 VAL 120 2.079 2.358 -1.308 711 1HG2 VAL 120 1HG2 VAL 120 -1.473 1.231 -1.651 712 2HG2 VAL 120 2HG2 VAL 120 -0.440 2.438 -0.886 713 3HG2 VAL 120 3HG2 VAL 120 -0.388 0.761 -0.342 714 H PHE 121 H PHE 121 1.775 3.301 -4.947 715 HA PHE 121 HA PHE 121 3.097 1.020 -6.257 716 1HB PHE 121 1HB PHE 121 3.315 3.971 -6.924 717 2HB PHE 121 2HB PHE 121 3.893 2.635 -7.899 718 HD1 PHE 121 HD1 PHE 121 1.023 4.655 -6.962 719 HD2 PHE 121 HD2 PHE 121 2.311 1.238 -9.150 720 HE1 PHE 121 HE1 PHE 121 -1.128 4.607 -8.152 721 HE2 PHE 121 HE2 PHE 121 0.162 1.186 -10.352 722 HZ PHE 121 HZ PHE 121 -1.490 2.992 -9.969 723 H VAL 122 H VAL 122 4.796 0.363 -4.992 724 HA VAL 122 HA VAL 122 6.383 2.437 -3.674 725 HB VAL 122 HB VAL 122 5.557 0.797 -2.377 726 1HG1 VAL 122 1HG1 VAL 122 7.162 -1.085 -4.096 727 2HG1 VAL 122 2HG1 VAL 122 5.412 -1.077 -3.879 728 3HG1 VAL 122 3HG1 VAL 122 6.465 -1.498 -2.529 729 1HG2 VAL 122 1HG2 VAL 122 7.624 1.885 -1.773 730 2HG2 VAL 122 2HG2 VAL 122 8.540 0.698 -2.703 731 3HG2 VAL 122 3HG2 VAL 122 7.638 0.194 -1.273 732 H LYS 123 H LYS 123 8.469 2.839 -4.122 733 HA LYS 123 HA LYS 123 9.821 1.176 -6.110 734 1HB LYS 123 1HB LYS 123 9.662 4.197 -6.187 735 2HB LYS 123 2HB LYS 123 10.575 3.190 -7.298 736 1HG LYS 123 1HG LYS 123 7.577 3.129 -7.005 737 2HG LYS 123 2HG LYS 123 8.453 4.035 -8.238 738 1HD LYS 123 1HD LYS 123 8.551 1.040 -7.865 739 2HD LYS 123 2HD LYS 123 7.594 1.888 -9.080 740 1HE LYS 123 1HE LYS 123 10.599 1.851 -8.841 741 2HE LYS 123 2HE LYS 123 9.631 1.059 -10.084 742 1HZ LYS 123 1HZ LYS 123 8.840 3.303 -10.745 743 2HZ LYS 123 2HZ LYS 123 10.507 3.075 -10.974 744 3HZ LYS 123 3HZ LYS 123 9.954 3.977 -9.655 745 H ARG 124 H ARG 124 11.883 0.727 -5.518 746 HA ARG 124 HA ARG 124 12.920 2.168 -3.184 747 1HB ARG 124 1HB ARG 124 14.489 0.322 -2.936 748 2HB ARG 124 2HB ARG 124 12.844 -0.288 -3.047 749 1HG ARG 124 1HG ARG 124 13.177 -1.215 -5.123 750 2HG ARG 124 2HG ARG 124 14.503 -0.120 -5.515 751 1HD ARG 124 1HD ARG 124 14.633 -2.327 -3.461 752 2HD ARG 124 2HD ARG 124 15.253 -2.442 -5.110 753 HE ARG 124 HE ARG 124 16.468 -0.218 -4.102 754 1HH1 ARG 124 1HH1 ARG 124 16.297 -3.601 -3.130 755 2HH1 ARG 124 2HH1 ARG 124 17.830 -3.548 -2.310 756 1HH2 ARG 124 1HH2 ARG 124 18.468 -0.193 -3.056 757 2HH2 ARG 124 2HH2 ARG 124 19.051 -1.627 -2.260 758 H VAL 125 H VAL 125 14.980 3.055 -3.136 759 HA VAL 125 HA VAL 125 16.062 3.942 -5.620 760 HB VAL 125 HB VAL 125 17.847 4.718 -4.409 761 1HG1 VAL 125 1HG1 VAL 125 16.515 6.373 -3.196 762 2HG1 VAL 125 2HG1 VAL 125 15.097 5.336 -3.347 763 3HG1 VAL 125 3HG1 VAL 125 15.841 6.027 -4.789 764 1HG2 VAL 125 1HG2 VAL 125 17.881 2.967 -2.645 765 2HG2 VAL 125 2HG2 VAL 125 16.423 3.689 -1.964 766 3HG2 VAL 125 3HG2 VAL 125 17.917 4.618 -2.031 767 H2 HC4 169 H2 HC4 169 -1.934 -8.372 24.539 768 H3 HC4 169 H3 HC4 169 -3.117 -6.734 25.337 769 H2' HC4 169 H2' HC4 169 -4.918 -5.136 25.538 770 H3' HC4 169 H3' HC4 169 -7.175 -4.314 25.047 771 H5' HC4 169 H5' HC4 169 -7.551 -7.231 21.966 772 H6' HC4 169 H6' HC4 169 -5.339 -8.110 22.541 773 'HO4 HC4 169 'HO4 HC4 169 -9.360 -5.943 23.025 Start of MODEL 9 1 H LEU 26 H LEU 26 10.271 -5.558 -3.109 2 HA LEU 26 HA LEU 26 12.036 -3.196 -3.387 3 1HB LEU 26 1HB LEU 26 13.182 -5.170 -2.462 4 2HB LEU 26 2HB LEU 26 12.586 -6.142 -3.794 5 HG LEU 26 HG LEU 26 13.894 -4.712 -5.363 6 1HD1 LEU 26 1HD1 LEU 26 14.013 -2.702 -3.990 7 2HD1 LEU 26 2HD1 LEU 26 15.625 -3.251 -4.450 8 3HD1 LEU 26 3HD1 LEU 26 15.023 -3.552 -2.820 9 1HD2 LEU 26 1HD2 LEU 26 14.771 -6.843 -4.570 10 2HD2 LEU 26 2HD2 LEU 26 15.473 -6.041 -3.165 11 3HD2 LEU 26 3HD2 LEU 26 16.066 -5.669 -4.785 12 H ALA 27 H ALA 27 12.221 -2.395 -5.379 13 HA ALA 27 HA ALA 27 12.101 -2.086 -7.609 14 1HB ALA 27 1HB ALA 27 11.948 -4.005 -9.119 15 2HB ALA 27 2HB ALA 27 11.584 -5.049 -7.745 16 3HB ALA 27 3HB ALA 27 13.152 -4.250 -7.853 17 H PHE 28 H PHE 28 9.632 -4.636 -7.309 18 HA PHE 28 HA PHE 28 7.757 -2.725 -8.510 19 1HB PHE 28 1HB PHE 28 7.786 -5.743 -8.573 20 2HB PHE 28 2HB PHE 28 6.441 -4.770 -9.160 21 HD1 PHE 28 HD1 PHE 28 6.924 -3.082 -11.012 22 HD2 PHE 28 HD2 PHE 28 9.593 -6.223 -9.950 23 HE1 PHE 28 HE1 PHE 28 8.018 -2.896 -13.209 24 HE2 PHE 28 HE2 PHE 28 10.694 -6.035 -12.138 25 HZ PHE 28 HZ PHE 28 9.931 -4.329 -13.757 26 H GLY 29 H GLY 29 6.912 -1.716 -6.795 27 1HA GLY 29 1HA GLY 29 5.507 -3.369 -4.796 28 2HA GLY 29 2HA GLY 29 6.071 -1.724 -4.527 29 H ALA 30 H ALA 30 4.225 -3.139 -7.217 30 HA ALA 30 HA ALA 30 2.396 -0.867 -6.981 31 1HB ALA 30 1HB ALA 30 2.711 -2.883 -9.205 32 2HB ALA 30 2HB ALA 30 3.412 -1.264 -9.169 33 3HB ALA 30 3HB ALA 30 1.661 -1.466 -9.232 34 H ILE 31 H ILE 31 0.819 -1.310 -5.533 35 HA ILE 31 HA ILE 31 -0.793 -3.691 -6.075 36 HB ILE 31 HB ILE 31 0.555 -4.179 -4.394 37 1HG1 ILE 31 1HG1 ILE 31 -2.303 -3.753 -3.647 38 2HG1 ILE 31 2HG1 ILE 31 -1.547 -5.180 -4.350 39 1HG2 ILE 31 1HG2 ILE 31 1.114 -2.007 -3.499 40 2HG2 ILE 31 2HG2 ILE 31 0.426 -3.011 -2.224 41 3HG2 ILE 31 3HG2 ILE 31 -0.556 -1.763 -2.989 42 1HD1 ILE 31 1HD1 ILE 31 -2.045 -5.476 -1.977 43 2HD1 ILE 31 2HD1 ILE 31 -0.992 -4.114 -1.595 44 3HD1 ILE 31 3HD1 ILE 31 -0.314 -5.578 -2.310 45 H GLN 32 H GLN 32 -2.939 -3.471 -5.844 46 HA GLN 32 HA GLN 32 -3.904 -0.780 -5.157 47 1HB GLN 32 1HB GLN 32 -5.879 -1.260 -6.539 48 2HB GLN 32 2HB GLN 32 -4.386 -1.331 -7.455 49 1HG GLN 32 1HG GLN 32 -4.462 -3.660 -7.616 50 2HG GLN 32 2HG GLN 32 -5.711 -3.791 -6.378 51 1HE2 GLN 32 1HE2 GLN 32 -7.844 -3.216 -6.920 52 2HE2 GLN 32 2HE2 GLN 32 -8.365 -3.165 -8.568 53 H LEU 33 H LEU 33 -4.962 -0.584 -3.334 54 HA LEU 33 HA LEU 33 -6.397 -2.961 -2.339 55 1HB LEU 33 1HB LEU 33 -5.862 -2.226 -0.041 56 2HB LEU 33 2HB LEU 33 -4.471 -2.732 -0.969 57 HG LEU 33 HG LEU 33 -4.169 -0.169 -1.411 58 1HD1 LEU 33 1HD1 LEU 33 -6.291 0.507 -0.386 59 2HD1 LEU 33 2HD1 LEU 33 -4.904 1.228 0.431 60 3HD1 LEU 33 3HD1 LEU 33 -5.743 -0.141 1.159 61 1HD2 LEU 33 1HD2 LEU 33 -2.743 -0.026 0.552 62 2HD2 LEU 33 2HD2 LEU 33 -2.615 -1.621 -0.190 63 3HD2 LEU 33 3HD2 LEU 33 -3.574 -1.405 1.274 64 H ASP 34 H ASP 34 -8.258 -2.598 -1.115 65 HA ASP 34 HA ASP 34 -9.865 -0.454 -2.108 66 1HB ASP 34 1HB ASP 34 -11.470 -1.920 -1.600 67 2HB ASP 34 2HB ASP 34 -10.276 -2.959 -0.830 68 H GLY 35 H GLY 35 -10.985 1.100 -0.810 69 1HA GLY 35 1HA GLY 35 -9.080 2.530 0.798 70 2HA GLY 35 2HA GLY 35 -10.677 3.088 0.330 71 H ASP 36 H ASP 36 -10.106 0.084 1.942 72 HA ASP 36 HA ASP 36 -11.083 1.170 4.483 73 1HB ASP 36 1HB ASP 36 -13.043 0.268 3.469 74 2HB ASP 36 2HB ASP 36 -12.176 -1.169 2.924 75 H GLY 37 H GLY 37 -9.429 -1.394 2.712 76 1HA GLY 37 1HA GLY 37 -7.149 -1.659 3.929 77 2HA GLY 37 2HA GLY 37 -8.165 -2.264 5.227 78 H ASN 38 H ASN 38 -9.201 -2.966 2.032 79 HA ASN 38 HA ASN 38 -8.344 -5.756 2.408 80 1HB ASN 38 1HB ASN 38 -10.616 -4.631 0.754 81 2HB ASN 38 2HB ASN 38 -10.207 -6.338 0.893 82 1HD2 ASN 38 1HD2 ASN 38 -11.487 -3.551 2.520 83 2HD2 ASN 38 2HD2 ASN 38 -12.246 -4.411 3.819 84 H ILE 39 H ILE 39 -6.970 -6.664 0.983 85 HA ILE 39 HA ILE 39 -5.810 -5.017 -1.070 86 HB ILE 39 HB ILE 39 -5.486 -7.787 -0.401 87 1HG1 ILE 39 1HG1 ILE 39 -5.036 -6.342 1.497 88 2HG1 ILE 39 2HG1 ILE 39 -3.541 -7.001 0.849 89 1HG2 ILE 39 1HG2 ILE 39 -3.844 -5.863 -2.052 90 2HG2 ILE 39 2HG2 ILE 39 -4.693 -7.292 -2.642 91 3HG2 ILE 39 3HG2 ILE 39 -3.315 -7.469 -1.555 92 1HD1 ILE 39 1HD1 ILE 39 -3.092 -4.884 -0.272 93 2HD1 ILE 39 2HD1 ILE 39 -3.285 -4.669 1.469 94 3HD1 ILE 39 3HD1 ILE 39 -4.594 -4.222 0.373 95 H LEU 40 H LEU 40 -6.596 -4.891 -3.098 96 HA LEU 40 HA LEU 40 -8.669 -6.773 -3.879 97 1HB LEU 40 1HB LEU 40 -7.668 -4.295 -5.279 98 2HB LEU 40 2HB LEU 40 -9.085 -5.224 -5.728 99 HG LEU 40 HG LEU 40 -8.727 -3.655 -3.179 100 1HD1 LEU 40 1HD1 LEU 40 -9.047 -2.256 -5.145 101 2HD1 LEU 40 2HD1 LEU 40 -10.468 -2.214 -4.103 102 3HD1 LEU 40 3HD1 LEU 40 -10.484 -3.177 -5.581 103 1HD2 LEU 40 1HD2 LEU 40 -10.074 -5.629 -2.772 104 2HD2 LEU 40 2HD2 LEU 40 -11.077 -5.266 -4.177 105 3HD2 LEU 40 3HD2 LEU 40 -11.098 -4.192 -2.776 106 H GLN 41 H GLN 41 -5.577 -5.552 -5.087 107 HA GLN 41 HA GLN 41 -5.053 -8.061 -6.404 108 1HB GLN 41 1HB GLN 41 -6.563 -6.905 -8.018 109 2HB GLN 41 2HB GLN 41 -5.377 -5.613 -8.142 110 1HG GLN 41 1HG GLN 41 -3.750 -7.139 -9.060 111 2HG GLN 41 2HG GLN 41 -4.856 -8.494 -8.843 112 1HE2 GLN 41 1HE2 GLN 41 -4.877 -9.020 -11.001 113 2HE2 GLN 41 2HE2 GLN 41 -5.662 -8.049 -12.199 114 H TYR 42 H TYR 42 -2.941 -8.373 -6.903 115 HA TYR 42 HA TYR 42 -1.094 -6.226 -6.061 116 1HB TYR 42 1HB TYR 42 -1.214 -8.198 -4.559 117 2HB TYR 42 2HB TYR 42 -0.751 -9.231 -5.901 118 HD1 TYR 42 HD1 TYR 42 1.353 -10.051 -5.604 119 HD2 TYR 42 HD2 TYR 42 0.589 -5.999 -4.545 120 HE1 TYR 42 HE1 TYR 42 3.713 -9.781 -4.983 121 HE2 TYR 42 HE2 TYR 42 2.960 -5.718 -3.919 122 HH TYR 42 HH TYR 42 5.337 -8.241 -4.551 123 H ASN 43 H ASN 43 0.072 -5.411 -7.687 124 HA ASN 43 HA ASN 43 0.408 -7.008 -10.130 125 1HB ASN 43 1HB ASN 43 0.794 -4.035 -9.683 126 2HB ASN 43 2HB ASN 43 0.991 -4.864 -11.221 127 1HD2 ASN 43 1HD2 ASN 43 -1.267 -3.727 -8.843 128 2HD2 ASN 43 2HD2 ASN 43 -2.677 -3.865 -9.834 129 H ALA 44 H ALA 44 2.124 -8.281 -9.525 130 HA ALA 44 HA ALA 44 4.700 -7.229 -9.930 131 1HB ALA 44 1HB ALA 44 4.108 -7.967 -7.061 132 2HB ALA 44 2HB ALA 44 4.431 -6.340 -7.663 133 3HB ALA 44 3HB ALA 44 5.692 -7.571 -7.727 134 H ALA 45 H ALA 45 5.036 -8.917 -11.294 135 HA ALA 45 HA ALA 45 4.536 -11.634 -10.452 136 1HB ALA 45 1HB ALA 45 5.920 -10.573 -12.918 137 2HB ALA 45 2HB ALA 45 4.219 -11.027 -12.798 138 3HB ALA 45 3HB ALA 45 5.476 -12.255 -12.634 139 H GLU 46 H GLU 46 5.826 -11.878 -8.642 140 HA GLU 46 HA GLU 46 8.727 -11.873 -9.141 141 1HB GLU 46 1HB GLU 46 8.969 -11.698 -6.671 142 2HB GLU 46 2HB GLU 46 8.162 -10.317 -7.395 143 1HG GLU 46 1HG GLU 46 5.985 -11.297 -6.720 144 2HG GLU 46 2HG GLU 46 6.867 -12.577 -5.887 145 H GLY 47 H GLY 47 6.294 -13.857 -9.267 146 1HA GLY 47 1HA GLY 47 7.935 -16.166 -8.617 147 2HA GLY 47 2HA GLY 47 6.412 -16.031 -7.742 148 H ASP 48 H ASP 48 4.442 -15.819 -9.058 149 HA ASP 48 HA ASP 48 4.607 -16.639 -11.842 150 1HB ASP 48 1HB ASP 48 4.630 -18.789 -10.589 151 2HB ASP 48 2HB ASP 48 3.111 -18.337 -9.823 152 H ILE 49 H ILE 49 2.586 -16.468 -12.939 153 HA ILE 49 HA ILE 49 0.988 -14.275 -12.389 154 HB ILE 49 HB ILE 49 0.278 -16.752 -13.674 155 1HG1 ILE 49 1HG1 ILE 49 1.346 -14.168 -14.796 156 2HG1 ILE 49 2HG1 ILE 49 2.320 -15.609 -14.536 157 1HG2 ILE 49 1HG2 ILE 49 -1.691 -15.447 -13.108 158 2HG2 ILE 49 2HG2 ILE 49 -1.364 -15.333 -14.838 159 3HG2 ILE 49 3HG2 ILE 49 -0.942 -13.994 -13.771 160 1HD1 ILE 49 1HD1 ILE 49 0.911 -16.840 -16.099 161 2HD1 ILE 49 2HD1 ILE 49 1.631 -15.417 -16.850 162 3HD1 ILE 49 3HD1 ILE 49 -0.062 -15.393 -16.359 163 H THR 50 H THR 50 0.324 -17.693 -11.675 164 HA THR 50 HA THR 50 -2.079 -17.043 -10.196 165 HB THR 50 HB THR 50 -0.666 -19.539 -10.259 166 HG1 THR 50 HG1 THR 50 -0.908 -19.261 -12.382 167 1HG2 THR 50 1HG2 THR 50 -3.564 -18.742 -10.043 168 2HG2 THR 50 2HG2 THR 50 -2.553 -19.338 -8.725 169 3HG2 THR 50 3HG2 THR 50 -2.944 -20.392 -10.085 170 H GLY 51 H GLY 51 -0.522 -15.619 -8.859 171 1HA GLY 51 1HA GLY 51 1.085 -16.990 -6.893 172 2HA GLY 51 2HA GLY 51 0.810 -15.258 -7.002 173 H ARG 52 H ARG 52 -0.770 -18.293 -6.089 174 HA ARG 52 HA ARG 52 -2.658 -16.942 -4.376 175 1HB ARG 52 1HB ARG 52 -3.248 -19.274 -3.654 176 2HB ARG 52 2HB ARG 52 -3.404 -18.990 -5.383 177 1HG ARG 52 1HG ARG 52 -1.498 -20.250 -5.876 178 2HG ARG 52 2HG ARG 52 -0.925 -20.198 -4.211 179 1HD ARG 52 1HD ARG 52 -1.758 -22.386 -4.593 180 2HD ARG 52 2HD ARG 52 -2.929 -21.555 -3.573 181 HE ARG 52 HE ARG 52 -3.574 -21.389 -6.367 182 1HH1 ARG 52 1HH1 ARG 52 -3.855 -23.312 -3.451 183 2HH1 ARG 52 2HH1 ARG 52 -5.166 -24.288 -4.056 184 1HH2 ARG 52 1HH2 ARG 52 -5.282 -22.681 -7.187 185 2HH2 ARG 52 2HH2 ARG 52 -5.978 -23.927 -6.186 186 H ASP 53 H ASP 53 -0.378 -15.964 -3.572 187 HA ASP 53 HA ASP 53 0.793 -17.618 -1.467 188 1HB ASP 53 1HB ASP 53 2.236 -16.374 -3.100 189 2HB ASP 53 2HB ASP 53 1.637 -14.869 -2.409 190 HA PRO 54 HA PRO 54 -1.805 -15.349 1.370 191 1HB PRO 54 1HB PRO 54 -1.491 -16.971 3.474 192 2HB PRO 54 2HB PRO 54 -2.426 -17.466 2.058 193 1HG PRO 54 1HG PRO 54 0.351 -18.215 2.852 194 2HG PRO 54 2HG PRO 54 -0.914 -19.210 2.107 195 1HD PRO 54 1HD PRO 54 1.200 -18.012 0.750 196 2HD PRO 54 2HD PRO 54 -0.302 -18.592 0.006 197 H LYS 55 H LYS 55 1.455 -15.265 1.179 198 HA LYS 55 HA LYS 55 1.705 -13.827 3.726 199 1HB LYS 55 1HB LYS 55 3.694 -15.546 2.279 200 2HB LYS 55 2HB LYS 55 4.216 -14.340 3.447 201 1HG LYS 55 1HG LYS 55 2.156 -16.367 4.210 202 2HG LYS 55 2HG LYS 55 3.865 -16.801 4.190 203 1HD LYS 55 1HD LYS 55 3.311 -16.123 6.412 204 2HD LYS 55 2HD LYS 55 4.296 -14.851 5.697 205 1HE LYS 55 1HE LYS 55 2.496 -13.842 6.919 206 2HE LYS 55 2HE LYS 55 2.217 -13.594 5.196 207 1HZ LYS 55 1HZ LYS 55 0.621 -15.387 5.211 208 2HZ LYS 55 2HZ LYS 55 0.200 -14.247 6.389 209 3HZ LYS 55 3HZ LYS 55 0.932 -15.706 6.844 210 H GLN 56 H GLN 56 1.098 -13.165 0.815 211 HA GLN 56 HA GLN 56 2.979 -10.915 0.587 212 1HB GLN 56 1HB GLN 56 1.066 -12.068 -1.454 213 2HB GLN 56 2HB GLN 56 2.045 -10.632 -1.714 214 1HG GLN 56 1HG GLN 56 3.077 -13.414 -1.213 215 2HG GLN 56 2HG GLN 56 3.023 -12.587 -2.768 216 1HE2 GLN 56 1HE2 GLN 56 4.464 -10.888 -3.166 217 2HE2 GLN 56 2HE2 GLN 56 5.887 -10.663 -2.214 218 H VAL 57 H VAL 57 0.199 -11.632 2.002 219 HA VAL 57 HA VAL 57 -1.731 -10.612 2.610 220 HB VAL 57 HB VAL 57 -0.300 -8.182 2.098 221 1HG1 VAL 57 1HG1 VAL 57 -1.657 -7.412 3.982 222 2HG1 VAL 57 2HG1 VAL 57 -2.422 -8.999 4.080 223 3HG1 VAL 57 3HG1 VAL 57 -2.677 -7.984 2.661 224 1HG2 VAL 57 1HG2 VAL 57 1.177 -9.663 3.314 225 2HG2 VAL 57 2HG2 VAL 57 -0.116 -10.042 4.451 226 3HG2 VAL 57 3HG2 VAL 57 0.544 -8.409 4.381 227 H ILE 58 H ILE 58 -2.213 -11.427 0.289 228 HA ILE 58 HA ILE 58 -3.415 -9.199 -1.194 229 HB ILE 58 HB ILE 58 -2.982 -10.342 -3.157 230 1HG1 ILE 58 1HG1 ILE 58 -1.051 -11.930 -1.467 231 2HG1 ILE 58 2HG1 ILE 58 -2.519 -12.563 -2.202 232 1HG2 ILE 58 1HG2 ILE 58 -0.678 -9.537 -3.292 233 2HG2 ILE 58 2HG2 ILE 58 -0.621 -9.415 -1.533 234 3HG2 ILE 58 3HG2 ILE 58 -1.721 -8.391 -2.455 235 1HD1 ILE 58 1HD1 ILE 58 -0.141 -11.456 -3.681 236 2HD1 ILE 58 2HD1 ILE 58 -1.613 -12.087 -4.419 237 3HD1 ILE 58 3HD1 ILE 58 -0.560 -13.161 -3.499 238 H GLY 59 H GLY 59 -5.039 -9.917 -2.734 239 1HA GLY 59 1HA GLY 59 -6.815 -11.202 -3.444 240 2HA GLY 59 2HA GLY 59 -6.082 -12.574 -2.630 241 H LYS 60 H LYS 60 -6.894 -9.554 -1.033 242 HA LYS 60 HA LYS 60 -8.934 -11.019 0.489 243 1HB LYS 60 1HB LYS 60 -7.150 -10.385 1.941 244 2HB LYS 60 2HB LYS 60 -7.082 -8.771 1.251 245 1HG LYS 60 1HG LYS 60 -8.083 -8.771 3.478 246 2HG LYS 60 2HG LYS 60 -9.226 -8.226 2.251 247 1HD LYS 60 1HD LYS 60 -10.490 -9.669 3.559 248 2HD LYS 60 2HD LYS 60 -10.004 -10.679 2.197 249 1HE LYS 60 1HE LYS 60 -9.707 -11.947 4.205 250 2HE LYS 60 2HE LYS 60 -8.112 -11.523 3.587 251 1HZ LYS 60 1HZ LYS 60 -7.873 -9.851 5.225 252 2HZ LYS 60 2HZ LYS 60 -8.431 -11.230 6.039 253 3HZ LYS 60 3HZ LYS 60 -9.497 -9.961 5.691 254 H ASN 61 H ASN 61 -10.722 -10.563 -0.761 255 HA ASN 61 HA ASN 61 -11.478 -7.716 -0.823 256 1HB ASN 61 1HB ASN 61 -11.343 -8.707 -3.072 257 2HB ASN 61 2HB ASN 61 -12.491 -9.954 -2.591 258 1HD2 ASN 61 1HD2 ASN 61 -12.645 -6.554 -1.690 259 2HD2 ASN 61 2HD2 ASN 61 -14.097 -6.201 -2.557 260 H PHE 62 H PHE 62 -12.443 -7.541 1.139 261 HA PHE 62 HA PHE 62 -14.940 -9.058 1.445 262 1HB PHE 62 1HB PHE 62 -12.922 -9.635 3.043 263 2HB PHE 62 2HB PHE 62 -13.393 -8.142 3.848 264 HD1 PHE 62 HD1 PHE 62 -15.206 -8.088 5.324 265 HD2 PHE 62 HD2 PHE 62 -14.629 -11.479 2.822 266 HE1 PHE 62 HE1 PHE 62 -16.954 -9.296 6.565 267 HE2 PHE 62 HE2 PHE 62 -16.375 -12.694 4.056 268 HZ PHE 62 HZ PHE 62 -17.488 -11.648 5.958 269 H PHE 63 H PHE 63 -16.626 -7.816 2.549 270 HA PHE 63 HA PHE 63 -16.488 -5.096 1.635 271 1HB PHE 63 1HB PHE 63 -18.726 -6.597 2.999 272 2HB PHE 63 2HB PHE 63 -18.864 -4.973 2.330 273 HD1 PHE 63 HD1 PHE 63 -18.345 -4.690 -0.167 274 HD2 PHE 63 HD2 PHE 63 -19.120 -8.454 1.661 275 HE1 PHE 63 HE1 PHE 63 -18.894 -5.641 -2.368 276 HE2 PHE 63 HE2 PHE 63 -19.665 -9.413 -0.538 277 HZ PHE 63 HZ PHE 63 -19.553 -8.007 -2.558 278 H LYS 64 H LYS 64 -15.586 -6.547 4.489 279 HA LYS 64 HA LYS 64 -14.887 -4.085 5.644 280 1HB LYS 64 1HB LYS 64 -16.232 -4.215 7.734 281 2HB LYS 64 2HB LYS 64 -17.180 -3.839 6.305 282 1HG LYS 64 1HG LYS 64 -18.097 -6.026 6.234 283 2HG LYS 64 2HG LYS 64 -16.967 -6.606 7.461 284 1HD LYS 64 1HD LYS 64 -17.984 -5.161 9.122 285 2HD LYS 64 2HD LYS 64 -19.065 -4.485 7.904 286 1HE LYS 64 1HE LYS 64 -18.995 -7.406 8.617 287 2HE LYS 64 2HE LYS 64 -20.067 -6.245 9.396 288 1HZ LYS 64 1HZ LYS 64 -20.006 -6.792 6.473 289 2HZ LYS 64 2HZ LYS 64 -21.088 -5.774 7.286 290 3HZ LYS 64 3HZ LYS 64 -21.133 -7.448 7.558 291 H ASP 65 H ASP 65 -13.027 -4.498 6.570 292 HA ASP 65 HA ASP 65 -12.405 -7.180 7.506 293 1HB ASP 65 1HB ASP 65 -10.762 -5.818 6.191 294 2HB ASP 65 2HB ASP 65 -10.679 -4.688 7.539 295 H VAL 66 H VAL 66 -13.254 -4.082 8.715 296 HA VAL 66 HA VAL 66 -13.745 -3.230 10.738 297 HB VAL 66 HB VAL 66 -13.837 -5.943 11.672 298 1HG1 VAL 66 1HG1 VAL 66 -14.001 -4.183 13.363 299 2HG1 VAL 66 2HG1 VAL 66 -15.563 -4.967 13.124 300 3HG1 VAL 66 3HG1 VAL 66 -15.255 -3.380 12.418 301 1HG2 VAL 66 1HG2 VAL 66 -16.143 -5.954 10.933 302 2HG2 VAL 66 2HG2 VAL 66 -15.057 -5.767 9.557 303 3HG2 VAL 66 3HG2 VAL 66 -15.933 -4.371 10.186 304 H ALA 67 H ALA 67 -11.249 -2.995 10.313 305 HA ALA 67 HA ALA 67 -10.096 -3.301 12.974 306 1HB ALA 67 1HB ALA 67 -9.159 -5.172 11.708 307 2HB ALA 67 2HB ALA 67 -7.918 -3.976 12.086 308 3HB ALA 67 3HB ALA 67 -8.601 -4.058 10.461 309 HA PRO 68 HA PRO 68 -9.704 0.944 11.255 310 1HB PRO 68 1HB PRO 68 -10.248 2.227 13.581 311 2HB PRO 68 2HB PRO 68 -11.508 1.643 12.490 312 1HG PRO 68 1HG PRO 68 -10.466 0.424 15.010 313 2HG PRO 68 2HG PRO 68 -12.136 0.530 14.426 314 1HD PRO 68 1HD PRO 68 -10.610 -1.723 14.225 315 2HD PRO 68 2HD PRO 68 -11.909 -1.319 13.085 316 H CYS 69 H CYS 69 -8.465 -0.290 14.341 317 HA CYS 69 HA CYS 69 -5.853 0.810 13.730 318 1HB CYS 69 1HB CYS 69 -6.931 2.650 14.927 319 2HB CYS 69 2HB CYS 69 -7.366 1.562 16.240 320 H THR 70 H THR 70 -5.028 -1.263 13.668 321 HA THR 70 HA THR 70 -4.765 -2.513 16.320 322 HB THR 70 HB THR 70 -5.024 -3.905 13.819 323 HG1 THR 70 HG1 THR 70 -6.864 -2.955 15.711 324 1HG2 THR 70 1HG2 THR 70 -5.016 -4.791 16.699 325 2HG2 THR 70 2HG2 THR 70 -3.711 -5.041 15.540 326 3HG2 THR 70 3HG2 THR 70 -5.272 -5.824 15.294 327 H ASP 71 H ASP 71 -3.590 -2.872 12.972 328 HA ASP 71 HA ASP 71 -0.871 -2.318 13.737 329 1HB ASP 71 1HB ASP 71 -0.961 -4.644 14.437 330 2HB ASP 71 2HB ASP 71 -1.679 -5.118 12.901 331 H SER 72 H SER 72 0.473 -1.976 11.901 332 HA SER 72 HA SER 72 -0.951 -2.095 9.330 333 1HB SER 72 1HB SER 72 1.093 -0.029 10.179 334 2HB SER 72 2HB SER 72 0.222 -0.072 8.645 335 HG SER 72 HG SER 72 -1.711 -0.083 10.226 336 HA PRO 73 HA PRO 73 2.659 -4.776 8.610 337 1HB PRO 73 1HB PRO 73 1.527 -6.111 6.537 338 2HB PRO 73 2HB PRO 73 1.209 -6.523 8.226 339 1HG PRO 73 1HG PRO 73 -0.446 -4.906 6.327 340 2HG PRO 73 2HG PRO 73 -0.965 -6.143 7.488 341 1HD PRO 73 1HD PRO 73 -1.183 -3.484 7.978 342 2HD PRO 73 2HD PRO 73 -0.905 -4.677 9.263 343 H GLU 74 H GLU 74 0.900 -2.563 6.667 344 HA GLU 74 HA GLU 74 3.196 -2.296 4.852 345 1HB GLU 74 1HB GLU 74 0.477 -2.772 4.196 346 2HB GLU 74 2HB GLU 74 0.824 -1.105 3.756 347 1HG GLU 74 1HG GLU 74 2.443 -3.485 2.881 348 2HG GLU 74 2HG GLU 74 1.190 -2.706 1.918 349 H PHE 75 H PHE 75 3.724 -0.144 4.232 350 HA PHE 75 HA PHE 75 3.240 1.685 6.443 351 1HB PHE 75 1HB PHE 75 5.167 1.826 4.123 352 2HB PHE 75 2HB PHE 75 5.034 3.057 5.376 353 HD1 PHE 75 HD1 PHE 75 6.570 -0.004 4.421 354 HD2 PHE 75 HD2 PHE 75 5.401 2.306 7.801 355 HE1 PHE 75 HE1 PHE 75 8.142 -1.270 5.830 356 HE2 PHE 75 HE2 PHE 75 6.970 1.043 9.214 357 HZ PHE 75 HZ PHE 75 8.342 -0.746 8.230 358 H TYR 76 H TYR 76 1.249 2.501 6.192 359 HA TYR 76 HA TYR 76 0.427 3.727 3.709 360 1HB TYR 76 1HB TYR 76 -0.857 3.792 6.453 361 2HB TYR 76 2HB TYR 76 -1.609 4.327 4.953 362 HD1 TYR 76 HD1 TYR 76 -1.133 1.591 7.172 363 HD2 TYR 76 HD2 TYR 76 -1.873 2.551 3.095 364 HE1 TYR 76 HE1 TYR 76 -1.992 -0.682 6.801 365 HE2 TYR 76 HE2 TYR 76 -2.733 0.281 2.711 366 HH TYR 76 HH TYR 76 -2.572 -1.944 3.686 367 H GLY 77 H GLY 77 0.347 5.956 3.294 368 1HA GLY 77 1HA GLY 77 2.235 7.419 5.014 369 2HA GLY 77 2HA GLY 77 1.928 7.763 3.318 370 H LYS 78 H LYS 78 -0.247 8.561 2.794 371 HA LYS 78 HA LYS 78 -1.041 10.539 4.784 372 1HB LYS 78 1HB LYS 78 -1.845 10.235 1.884 373 2HB LYS 78 2HB LYS 78 -2.299 11.569 2.930 374 1HG LYS 78 1HG LYS 78 0.522 10.880 2.136 375 2HG LYS 78 2HG LYS 78 -0.470 12.138 1.397 376 1HD LYS 78 1HD LYS 78 -0.651 13.217 3.635 377 2HD LYS 78 2HD LYS 78 0.486 12.018 4.255 378 1HE LYS 78 1HE LYS 78 2.177 12.785 2.683 379 2HE LYS 78 2HE LYS 78 1.038 13.945 2.000 380 1HZ LYS 78 1HZ LYS 78 2.468 15.070 3.519 381 2HZ LYS 78 2HZ LYS 78 2.159 13.948 4.751 382 3HZ LYS 78 3HZ LYS 78 0.927 14.992 4.225 383 H PHE 79 H PHE 79 -1.794 7.516 4.571 384 HA PHE 79 HA PHE 79 -4.320 7.136 3.555 385 1HB PHE 79 1HB PHE 79 -2.560 5.463 4.545 386 2HB PHE 79 2HB PHE 79 -3.520 5.633 6.010 387 HD1 PHE 79 HD1 PHE 79 -5.691 4.636 6.191 388 HD2 PHE 79 HD2 PHE 79 -3.555 4.523 2.512 389 HE1 PHE 79 HE1 PHE 79 -7.282 2.973 5.318 390 HE2 PHE 79 HE2 PHE 79 -5.142 2.863 1.634 391 HZ PHE 79 HZ PHE 79 -7.009 2.087 3.032 392 H LYS 80 H LYS 80 -3.468 8.391 6.741 393 HA LYS 80 HA LYS 80 -6.044 8.055 7.905 394 1HB LYS 80 1HB LYS 80 -3.614 9.646 8.621 395 2HB LYS 80 2HB LYS 80 -5.129 9.984 9.446 396 1HG LYS 80 1HG LYS 80 -3.766 7.302 9.334 397 2HG LYS 80 2HG LYS 80 -3.731 8.422 10.699 398 1HD LYS 80 1HD LYS 80 -6.219 8.281 10.789 399 2HD LYS 80 2HD LYS 80 -6.147 7.030 9.547 400 1HE LYS 80 1HE LYS 80 -4.837 5.611 11.009 401 2HE LYS 80 2HE LYS 80 -4.797 6.875 12.239 402 1HZ LYS 80 1HZ LYS 80 -7.094 5.230 11.359 403 2HZ LYS 80 2HZ LYS 80 -7.330 6.711 12.154 404 3HZ LYS 80 3HZ LYS 80 -6.490 5.462 12.931 405 H GLU 81 H GLU 81 -4.573 10.534 5.982 406 HA GLU 81 HA GLU 81 -6.906 12.263 6.190 407 1HB GLU 81 1HB GLU 81 -4.592 13.212 6.046 408 2HB GLU 81 2HB GLU 81 -4.429 12.502 4.448 409 1HG GLU 81 1HG GLU 81 -4.937 14.765 4.114 410 2HG GLU 81 2HG GLU 81 -6.416 13.873 3.759 411 H GLY 82 H GLY 82 -5.321 10.066 3.982 412 1HA GLY 82 1HA GLY 82 -6.446 10.659 1.582 413 2HA GLY 82 2HA GLY 82 -5.898 9.079 2.059 414 H VAL 83 H VAL 83 -7.605 8.594 4.125 415 HA VAL 83 HA VAL 83 -9.833 7.500 2.759 416 HB VAL 83 HB VAL 83 -9.329 8.012 5.540 417 1HG1 VAL 83 1HG1 VAL 83 -11.400 6.288 4.169 418 2HG1 VAL 83 2HG1 VAL 83 -11.718 7.718 5.153 419 3HG1 VAL 83 3HG1 VAL 83 -11.039 6.269 5.896 420 1HG2 VAL 83 1HG2 VAL 83 -8.943 5.603 3.778 421 2HG2 VAL 83 2HG2 VAL 83 -8.712 5.648 5.526 422 3HG2 VAL 83 3HG2 VAL 83 -7.671 6.607 4.474 423 H ALA 84 H ALA 84 -9.541 10.261 5.000 424 HA ALA 84 HA ALA 84 -12.409 10.621 4.855 425 1HB ALA 84 1HB ALA 84 -10.420 12.168 6.501 426 2HB ALA 84 2HB ALA 84 -11.264 10.716 7.039 427 3HB ALA 84 3HB ALA 84 -12.173 12.184 6.678 428 H SER 85 H SER 85 -9.528 12.202 3.735 429 HA SER 85 HA SER 85 -10.902 14.553 2.847 430 1HB SER 85 1HB SER 85 -8.851 14.987 1.542 431 2HB SER 85 2HB SER 85 -8.469 14.565 3.211 432 HG SER 85 HG SER 85 -7.460 13.465 1.123 433 H GLY 86 H GLY 86 -10.272 11.360 1.640 434 1HA GLY 86 1HA GLY 86 -11.340 10.215 -0.059 435 2HA GLY 86 2HA GLY 86 -12.285 11.664 -0.394 436 H ASN 87 H ASN 87 -8.846 11.781 -0.193 437 HA ASN 87 HA ASN 87 -8.534 11.670 -3.067 438 1HB ASN 87 1HB ASN 87 -7.489 13.926 -3.222 439 2HB ASN 87 2HB ASN 87 -9.206 13.970 -2.855 440 1HD2 ASN 87 1HD2 ASN 87 -9.178 15.976 -1.954 441 2HD2 ASN 87 2HD2 ASN 87 -8.408 16.328 -0.439 442 H LEU 88 H LEU 88 -7.533 9.932 -1.374 443 HA LEU 88 HA LEU 88 -4.867 10.467 -0.579 444 1HB LEU 88 1HB LEU 88 -6.626 8.490 -0.085 445 2HB LEU 88 2HB LEU 88 -5.596 7.704 -1.270 446 HG LEU 88 HG LEU 88 -4.662 9.030 1.220 447 1HD1 LEU 88 1HD1 LEU 88 -5.970 7.084 1.785 448 2HD1 LEU 88 2HD1 LEU 88 -4.264 6.731 2.051 449 3HD1 LEU 88 3HD1 LEU 88 -5.078 6.108 0.617 450 1HD2 LEU 88 1HD2 LEU 88 -3.183 7.279 -0.732 451 2HD2 LEU 88 2HD2 LEU 88 -2.537 7.879 0.796 452 3HD2 LEU 88 3HD2 LEU 88 -2.950 9.011 -0.492 453 H ASN 89 H ASN 89 -4.167 11.504 -2.613 454 HA ASN 89 HA ASN 89 -2.785 9.455 -4.144 455 1HB ASN 89 1HB ASN 89 -3.335 10.475 -6.320 456 2HB ASN 89 2HB ASN 89 -4.788 9.928 -5.488 457 1HD2 ASN 89 1HD2 ASN 89 -3.121 12.625 -6.818 458 2HD2 ASN 89 2HD2 ASN 89 -4.355 13.797 -6.513 459 H THR 90 H THR 90 -0.791 9.938 -3.367 460 HA THR 90 HA THR 90 0.335 12.537 -4.072 461 HB THR 90 HB THR 90 0.657 11.452 -1.433 462 HG1 THR 90 HG1 THR 90 -1.433 12.966 -2.557 463 1HG2 THR 90 1HG2 THR 90 1.271 13.767 -0.966 464 2HG2 THR 90 2HG2 THR 90 1.032 14.172 -2.666 465 3HG2 THR 90 3HG2 THR 90 2.313 13.056 -2.198 466 H MET 91 H MET 91 2.645 12.524 -4.023 467 HA MET 91 HA MET 91 3.851 9.848 -3.761 468 1HB MET 91 1HB MET 91 5.597 10.644 -5.356 469 2HB MET 91 2HB MET 91 3.991 10.535 -6.059 470 1HG MET 91 1HG MET 91 3.722 12.957 -5.784 471 2HG MET 91 2HG MET 91 5.355 13.048 -5.125 472 1HE MET 91 1HE MET 91 5.658 14.707 -8.675 473 2HE MET 91 2HE MET 91 5.864 14.938 -6.939 474 3HE MET 91 3HE MET 91 4.246 14.762 -7.619 475 H PHE 92 H PHE 92 5.644 9.637 -2.533 476 HA PHE 92 HA PHE 92 7.097 11.866 -1.450 477 1HB PHE 92 1HB PHE 92 5.066 11.976 -0.074 478 2HB PHE 92 2HB PHE 92 5.225 10.272 0.326 479 HD1 PHE 92 HD1 PHE 92 7.211 13.422 0.524 480 HD2 PHE 92 HD2 PHE 92 6.133 9.743 2.372 481 HE1 PHE 92 HE1 PHE 92 8.548 14.025 2.501 482 HE2 PHE 92 HE2 PHE 92 7.469 10.339 4.349 483 HZ PHE 92 HZ PHE 92 8.649 12.461 4.439 484 H GLU 93 H GLU 93 9.012 11.152 -0.385 485 HA GLU 93 HA GLU 93 9.635 8.338 -0.865 486 1HB GLU 93 1HB GLU 93 11.437 10.585 0.088 487 2HB GLU 93 2HB GLU 93 11.958 8.954 -0.296 488 1HG GLU 93 1HG GLU 93 12.549 10.164 -2.163 489 2HG GLU 93 2HG GLU 93 11.022 9.422 -2.636 490 H TYR 94 H TYR 94 9.494 6.887 0.709 491 HA TYR 94 HA TYR 94 9.390 7.859 3.489 492 1HB TYR 94 1HB TYR 94 7.260 6.889 2.559 493 2HB TYR 94 2HB TYR 94 8.096 5.349 2.402 494 HD1 TYR 94 HD1 TYR 94 8.631 4.017 4.357 495 HD2 TYR 94 HD2 TYR 94 6.655 7.766 4.753 496 HE1 TYR 94 HE1 TYR 94 8.057 3.462 6.683 497 HE2 TYR 94 HE2 TYR 94 6.082 7.222 7.080 498 HH TYR 94 HH TYR 94 5.769 5.147 8.475 499 H THR 95 H THR 95 10.695 6.940 4.976 500 HA THR 95 HA THR 95 12.236 4.588 4.137 501 HB THR 95 HB THR 95 13.518 6.433 4.022 502 HG1 THR 95 HG1 THR 95 14.733 4.759 4.640 503 1HG2 THR 95 1HG2 THR 95 14.092 7.733 5.988 504 2HG2 THR 95 2HG2 THR 95 12.905 6.844 6.943 505 3HG2 THR 95 3HG2 THR 95 12.376 7.883 5.618 506 H PHE 96 H PHE 96 12.821 3.125 5.760 507 HA PHE 96 HA PHE 96 11.571 3.558 8.375 508 1HB PHE 96 1HB PHE 96 11.021 1.078 8.398 509 2HB PHE 96 2HB PHE 96 10.047 2.079 7.331 510 HD1 PHE 96 HD1 PHE 96 12.340 -0.695 7.561 511 HD2 PHE 96 HD2 PHE 96 10.453 2.015 4.877 512 HE1 PHE 96 HE1 PHE 96 12.857 -2.200 5.682 513 HE2 PHE 96 HE2 PHE 96 10.976 0.523 2.993 514 HZ PHE 96 HZ PHE 96 12.177 -1.592 3.395 515 H ASP 97 H ASP 97 14.325 3.315 6.847 516 HA ASP 97 HA ASP 97 15.734 2.739 9.265 517 1HB ASP 97 1HB ASP 97 17.233 1.017 8.335 518 2HB ASP 97 2HB ASP 97 15.573 0.448 8.421 519 H TYR 98 H TYR 98 17.706 3.787 9.294 520 HA TYR 98 HA TYR 98 18.372 5.318 6.892 521 1HB TYR 98 1HB TYR 98 18.465 7.393 8.372 522 2HB TYR 98 2HB TYR 98 16.867 6.800 7.938 523 HD1 TYR 98 HD1 TYR 98 19.398 6.489 10.672 524 HD2 TYR 98 HD2 TYR 98 15.281 6.570 9.610 525 HE1 TYR 98 HE1 TYR 98 18.791 6.413 13.050 526 HE2 TYR 98 HE2 TYR 98 14.664 6.492 11.987 527 HH TYR 98 HH TYR 98 15.474 6.007 14.090 528 H GLN 99 H GLN 99 20.395 6.418 6.982 529 HA GLN 99 HA GLN 99 22.584 6.699 7.420 530 1HB GLN 99 1HB GLN 99 21.612 5.976 10.144 531 2HB GLN 99 2HB GLN 99 23.345 6.008 9.847 532 1HG GLN 99 1HG GLN 99 22.742 8.122 10.718 533 2HG GLN 99 2HG GLN 99 23.083 8.342 9.006 534 1HE2 GLN 99 1HE2 GLN 99 21.394 8.814 7.591 535 2HE2 GLN 99 2HE2 GLN 99 19.846 9.365 8.160 536 H MET 100 H MET 100 21.680 3.673 9.091 537 HA MET 100 HA MET 100 24.025 2.264 8.434 538 1HB MET 100 1HB MET 100 21.232 1.235 8.975 539 2HB MET 100 2HB MET 100 22.666 0.224 8.895 540 1HG MET 100 1HG MET 100 23.605 1.318 10.816 541 2HG MET 100 2HG MET 100 22.270 2.471 10.851 542 1HE MET 100 1HE MET 100 21.650 0.298 14.051 543 2HE MET 100 2HE MET 100 21.902 1.925 13.418 544 3HE MET 100 3HE MET 100 23.216 0.749 13.380 545 H THR 101 H THR 101 20.830 2.236 6.916 546 HA THR 101 HA THR 101 22.139 1.603 4.374 547 HB THR 101 HB THR 101 19.775 0.752 4.003 548 HG1 THR 101 HG1 THR 101 18.889 0.583 5.946 549 1HG2 THR 101 1HG2 THR 101 22.107 -0.759 5.159 550 2HG2 THR 101 2HG2 THR 101 21.898 -0.332 3.461 551 3HG2 THR 101 3HG2 THR 101 20.772 -1.446 4.236 552 HA PRO 102 HA PRO 102 19.700 5.045 2.984 553 1HB PRO 102 1HB PRO 102 20.297 4.641 0.284 554 2HB PRO 102 2HB PRO 102 21.288 5.531 1.438 555 1HG PRO 102 1HG PRO 102 21.940 3.093 0.159 556 2HG PRO 102 2HG PRO 102 22.836 3.885 1.464 557 1HD PRO 102 1HD PRO 102 20.901 1.633 1.584 558 2HD PRO 102 2HD PRO 102 22.293 1.990 2.630 559 H THR 103 H THR 103 18.082 2.772 3.468 560 HA THR 103 HA THR 103 16.625 2.047 1.127 561 HB THR 103 HB THR 103 15.703 2.036 3.841 562 HG1 THR 103 HG1 THR 103 17.223 0.622 4.209 563 1HG2 THR 103 1HG2 THR 103 15.160 0.327 1.420 564 2HG2 THR 103 2HG2 THR 103 14.061 1.518 2.116 565 3HG2 THR 103 3HG2 THR 103 14.497 0.078 3.036 566 H LYS 104 H LYS 104 15.861 3.805 0.083 567 HA LYS 104 HA LYS 104 13.776 5.356 1.463 568 1HB LYS 104 1HB LYS 104 15.971 6.570 0.830 569 2HB LYS 104 2HB LYS 104 15.422 6.406 -0.830 570 1HG LYS 104 1HG LYS 104 13.269 7.538 -0.038 571 2HG LYS 104 2HG LYS 104 14.196 7.991 1.393 572 1HD LYS 104 1HD LYS 104 14.752 8.724 -1.476 573 2HD LYS 104 2HD LYS 104 14.320 9.804 -0.151 574 1HE LYS 104 1HE LYS 104 16.436 9.295 0.961 575 2HE LYS 104 2HE LYS 104 16.859 8.192 -0.349 576 1HZ LYS 104 1HZ LYS 104 16.565 10.214 -1.845 577 2HZ LYS 104 2HZ LYS 104 17.952 10.161 -0.875 578 3HZ LYS 104 3HZ LYS 104 16.640 11.139 -0.425 579 H VAL 105 H VAL 105 11.879 4.634 0.652 580 HA VAL 105 HA VAL 105 11.810 3.920 -2.179 581 HB VAL 105 HB VAL 105 9.806 2.928 -1.768 582 1HG1 VAL 105 1HG1 VAL 105 10.779 1.037 -0.521 583 2HG1 VAL 105 2HG1 VAL 105 12.132 2.068 -0.053 584 3HG1 VAL 105 3HG1 VAL 105 11.871 1.668 -1.751 585 1HG2 VAL 105 1HG2 VAL 105 10.351 3.596 1.114 586 2HG2 VAL 105 2HG2 VAL 105 9.123 2.466 0.538 587 3HG2 VAL 105 3HG2 VAL 105 9.006 4.179 0.133 588 H LYS 106 H LYS 106 9.948 4.457 -3.394 589 HA LYS 106 HA LYS 106 8.943 7.138 -2.734 590 1HB LYS 106 1HB LYS 106 9.031 5.562 -5.327 591 2HB LYS 106 2HB LYS 106 8.252 7.125 -5.165 592 1HG LYS 106 1HG LYS 106 11.116 6.868 -4.404 593 2HG LYS 106 2HG LYS 106 10.677 6.912 -6.113 594 1HD LYS 106 1HD LYS 106 9.408 9.006 -5.661 595 2HD LYS 106 2HD LYS 106 10.042 8.983 -4.016 596 1HE LYS 106 1HE LYS 106 12.291 9.202 -4.813 597 2HE LYS 106 2HE LYS 106 11.769 8.999 -6.485 598 1HZ LYS 106 1HZ LYS 106 10.551 11.070 -6.334 599 2HZ LYS 106 2HZ LYS 106 12.183 11.324 -5.954 600 3HZ LYS 106 3HZ LYS 106 11.020 11.265 -4.715 601 H VAL 107 H VAL 107 6.923 7.225 -1.939 602 HA VAL 107 HA VAL 107 5.136 4.945 -2.411 603 HB VAL 107 HB VAL 107 4.374 7.255 -0.945 604 1HG1 VAL 107 1HG1 VAL 107 3.227 5.494 0.329 605 2HG1 VAL 107 2HG1 VAL 107 3.924 4.278 -0.741 606 3HG1 VAL 107 3HG1 VAL 107 2.799 5.475 -1.382 607 1HG2 VAL 107 1HG2 VAL 107 6.266 5.125 0.059 608 2HG2 VAL 107 2HG2 VAL 107 5.400 6.284 1.067 609 3HG2 VAL 107 3HG2 VAL 107 6.608 6.849 -0.087 610 H HIS 108 H HIS 108 4.307 5.255 -4.434 611 HA HIS 108 HA HIS 108 2.876 7.787 -4.797 612 1HB HIS 108 1HB HIS 108 4.339 6.790 -6.681 613 2HB HIS 108 2HB HIS 108 3.052 5.600 -6.867 614 HD1 HIS 108 HD1 HIS 108 1.962 6.316 -9.016 615 HD2 HIS 108 HD2 HIS 108 2.582 9.498 -6.407 616 HE1 HIS 108 HE1 HIS 108 0.823 8.290 -10.070 617 HE2 HIS 108 HE2 HIS 108 1.365 10.243 -8.565 618 H MET 109 H MET 109 1.084 7.662 -3.668 619 HA MET 109 HA MET 109 -0.593 5.264 -3.962 620 1HB MET 109 1HB MET 109 -0.558 7.449 -1.873 621 2HB MET 109 2HB MET 109 -1.870 6.288 -2.011 622 1HG MET 109 1HG MET 109 -0.305 4.462 -1.603 623 2HG MET 109 2HG MET 109 1.018 5.619 -1.483 624 1HE MET 109 1HE MET 109 0.483 4.273 2.187 625 2HE MET 109 2HE MET 109 1.612 4.403 0.838 626 3HE MET 109 3HE MET 109 0.194 3.364 0.704 627 H LYS 110 H LYS 110 -2.716 5.494 -4.690 628 HA LYS 110 HA LYS 110 -3.575 8.175 -5.395 629 1HB LYS 110 1HB LYS 110 -4.017 7.638 -7.736 630 2HB LYS 110 2HB LYS 110 -2.300 7.504 -7.386 631 1HG LYS 110 1HG LYS 110 -2.308 5.199 -7.568 632 2HG LYS 110 2HG LYS 110 -4.046 5.083 -7.286 633 1HD LYS 110 1HD LYS 110 -3.654 4.629 -9.595 634 2HD LYS 110 2HD LYS 110 -4.403 6.219 -9.480 635 1HE LYS 110 1HE LYS 110 -2.102 7.205 -9.615 636 2HE LYS 110 2HE LYS 110 -1.499 5.584 -9.965 637 1HZ LYS 110 1HZ LYS 110 -3.333 7.244 -11.596 638 2HZ LYS 110 2HZ LYS 110 -3.158 5.578 -11.854 639 3HZ LYS 110 3HZ LYS 110 -1.821 6.609 -12.034 640 H LYS 111 H LYS 111 -5.652 8.335 -4.897 641 HA LYS 111 HA LYS 111 -7.366 6.280 -4.339 642 1HB LYS 111 1HB LYS 111 -7.784 8.584 -3.826 643 2HB LYS 111 2HB LYS 111 -7.813 9.002 -5.527 644 1HG LYS 111 1HG LYS 111 -9.847 7.703 -5.841 645 2HG LYS 111 2HG LYS 111 -9.813 7.228 -4.138 646 1HD LYS 111 1HD LYS 111 -10.006 9.562 -3.474 647 2HD LYS 111 2HD LYS 111 -10.003 10.048 -5.171 648 1HE LYS 111 1HE LYS 111 -12.275 10.036 -4.301 649 2HE LYS 111 2HE LYS 111 -12.087 8.766 -5.509 650 1HZ LYS 111 1HZ LYS 111 -13.309 8.156 -3.401 651 2HZ LYS 111 2HZ LYS 111 -11.814 8.229 -2.609 652 3HZ LYS 111 3HZ LYS 111 -12.053 7.116 -3.860 653 H ALA 112 H ALA 112 -7.856 4.647 -5.573 654 HA ALA 112 HA ALA 112 -7.239 4.332 -8.239 655 1HB ALA 112 1HB ALA 112 -7.718 2.474 -6.717 656 2HB ALA 112 2HB ALA 112 -8.685 2.369 -8.190 657 3HB ALA 112 3HB ALA 112 -9.420 2.936 -6.691 658 H LEU 113 H LEU 113 -8.428 4.513 -10.155 659 HA LEU 113 HA LEU 113 -10.333 6.591 -10.280 660 1HB LEU 113 1HB LEU 113 -9.413 4.511 -12.234 661 2HB LEU 113 2HB LEU 113 -10.750 5.567 -12.632 662 HG LEU 113 HG LEU 113 -9.256 7.528 -12.322 663 1HD1 LEU 113 1HD1 LEU 113 -6.830 7.169 -12.252 664 2HD1 LEU 113 2HD1 LEU 113 -7.103 5.442 -12.019 665 3HD1 LEU 113 3HD1 LEU 113 -7.632 6.592 -10.790 666 1HD2 LEU 113 1HD2 LEU 113 -8.324 5.467 -14.307 667 2HD2 LEU 113 2HD2 LEU 113 -7.966 7.191 -14.375 668 3HD2 LEU 113 3HD2 LEU 113 -9.630 6.632 -14.534 669 H SER 114 H SER 114 -10.593 3.268 -9.601 670 HA SER 114 HA SER 114 -13.279 2.768 -10.218 671 1HB SER 114 1HB SER 114 -11.750 1.654 -7.856 672 2HB SER 114 2HB SER 114 -13.077 0.892 -8.736 673 HG SER 114 HG SER 114 -11.645 0.094 -10.036 674 H GLY 115 H GLY 115 -11.722 4.200 -7.367 675 1HA GLY 115 1HA GLY 115 -12.944 6.079 -6.362 676 2HA GLY 115 2HA GLY 115 -14.399 5.110 -6.516 677 H ASP 116 H ASP 116 -13.990 2.804 -5.419 678 HA ASP 116 HA ASP 116 -13.724 3.516 -2.620 679 1HB ASP 116 1HB ASP 116 -14.754 1.260 -2.245 680 2HB ASP 116 2HB ASP 116 -15.726 2.337 -3.239 681 H SER 117 H SER 117 -11.280 3.464 -3.815 682 HA SER 117 HA SER 117 -9.849 1.555 -2.265 683 1HB SER 117 1HB SER 117 -8.764 0.538 -4.389 684 2HB SER 117 2HB SER 117 -10.315 -0.078 -3.829 685 HG SER 117 HG SER 117 -11.030 0.406 -5.739 686 H TYR 118 H TYR 118 -7.538 1.783 -2.511 687 HA TYR 118 HA TYR 118 -6.617 4.152 -3.977 688 1HB TYR 118 1HB TYR 118 -6.001 3.667 -1.043 689 2HB TYR 118 2HB TYR 118 -5.411 5.005 -2.030 690 HD1 TYR 118 HD1 TYR 118 -8.175 3.690 -0.116 691 HD2 TYR 118 HD2 TYR 118 -6.927 6.777 -2.728 692 HE1 TYR 118 HE1 TYR 118 -10.115 5.039 0.578 693 HE2 TYR 118 HE2 TYR 118 -8.860 8.150 -2.049 694 HH TYR 118 HH TYR 118 -11.018 7.942 -1.044 695 H TRP 119 H TRP 119 -4.577 3.898 -4.841 696 HA TRP 119 HA TRP 119 -3.485 1.224 -4.647 697 1HB TRP 119 1HB TRP 119 -2.860 3.611 -6.366 698 2HB TRP 119 2HB TRP 119 -1.906 2.119 -6.410 699 HD1 TRP 119 HD1 TRP 119 -5.616 3.176 -6.917 700 HE1 TRP 119 HE1 TRP 119 -6.579 1.649 -8.783 701 HE3 TRP 119 HE3 TRP 119 -1.533 0.261 -7.764 702 HZ2 TRP 119 HZ2 TRP 119 -5.687 -0.513 -10.378 703 HZ3 TRP 119 HZ3 TRP 119 -1.639 -1.481 -9.448 704 HH2 TRP 119 HH2 TRP 119 -3.676 -1.872 -10.754 705 H VAL 120 H VAL 120 -1.233 0.887 -4.516 706 HA VAL 120 HA VAL 120 0.377 2.913 -3.131 707 HB VAL 120 HB VAL 120 0.157 0.112 -2.483 708 1HG1 VAL 120 1HG1 VAL 120 1.722 0.705 -0.682 709 2HG1 VAL 120 2HG1 VAL 120 1.868 2.328 -1.356 710 3HG1 VAL 120 3HG1 VAL 120 2.441 0.937 -2.276 711 1HG2 VAL 120 1HG2 VAL 120 -1.743 1.350 -1.667 712 2HG2 VAL 120 2HG2 VAL 120 -0.676 2.577 -0.983 713 3HG2 VAL 120 3HG2 VAL 120 -0.662 0.936 -0.336 714 H PHE 121 H PHE 121 1.940 3.257 -4.634 715 HA PHE 121 HA PHE 121 3.228 0.897 -5.855 716 1HB PHE 121 1HB PHE 121 3.366 3.785 -6.720 717 2HB PHE 121 2HB PHE 121 4.139 2.442 -7.533 718 HD1 PHE 121 HD1 PHE 121 0.965 4.153 -6.906 719 HD2 PHE 121 HD2 PHE 121 2.883 0.939 -8.928 720 HE1 PHE 121 HE1 PHE 121 -1.010 3.886 -8.346 721 HE2 PHE 121 HE2 PHE 121 0.909 0.665 -10.370 722 HZ PHE 121 HZ PHE 121 -1.039 2.138 -10.083 723 H VAL 122 H VAL 122 4.949 0.336 -4.640 724 HA VAL 122 HA VAL 122 6.621 2.486 -3.513 725 HB VAL 122 HB VAL 122 6.519 -0.333 -2.940 726 1HG1 VAL 122 1HG1 VAL 122 7.996 1.963 -1.651 727 2HG1 VAL 122 2HG1 VAL 122 8.727 0.633 -2.551 728 3HG1 VAL 122 3HG1 VAL 122 7.905 0.318 -1.022 729 1HG2 VAL 122 1HG2 VAL 122 4.484 0.838 -2.294 730 2HG2 VAL 122 2HG2 VAL 122 5.450 2.050 -1.449 731 3HG2 VAL 122 3HG2 VAL 122 5.446 0.377 -0.889 732 H LYS 123 H LYS 123 8.549 2.872 -4.399 733 HA LYS 123 HA LYS 123 10.077 0.725 -5.624 734 1HB LYS 123 1HB LYS 123 9.376 3.295 -7.061 735 2HB LYS 123 2HB LYS 123 10.649 2.201 -7.577 736 1HG LYS 123 1HG LYS 123 8.920 0.423 -7.827 737 2HG LYS 123 2HG LYS 123 7.696 1.646 -7.484 738 1HD LYS 123 1HD LYS 123 8.485 2.956 -9.408 739 2HD LYS 123 2HD LYS 123 9.675 1.702 -9.761 740 1HE LYS 123 1HE LYS 123 7.860 0.087 -10.088 741 2HE LYS 123 2HE LYS 123 6.679 1.353 -9.756 742 1HZ LYS 123 1HZ LYS 123 7.652 2.578 -11.690 743 2HZ LYS 123 2HZ LYS 123 6.848 1.139 -12.089 744 3HZ LYS 123 3HZ LYS 123 8.543 1.180 -12.060 745 H ARG 124 H ARG 124 12.291 1.029 -5.362 746 HA ARG 124 HA ARG 124 12.923 3.018 -3.352 747 1HB ARG 124 1HB ARG 124 15.033 1.900 -3.097 748 2HB ARG 124 2HB ARG 124 13.770 0.683 -3.182 749 1HG ARG 124 1HG ARG 124 14.378 0.055 -5.363 750 2HG ARG 124 2HG ARG 124 15.389 1.486 -5.576 751 1HD ARG 124 1HD ARG 124 16.894 0.657 -3.817 752 2HD ARG 124 2HD ARG 124 15.899 -0.789 -3.667 753 HE ARG 124 HE ARG 124 16.504 -1.185 -6.086 754 1HH1 ARG 124 1HH1 ARG 124 18.581 0.691 -3.975 755 2HH1 ARG 124 2HH1 ARG 124 20.042 0.212 -4.791 756 1HH2 ARG 124 1HH2 ARG 124 18.436 -1.810 -7.150 757 2HH2 ARG 124 2HH2 ARG 124 19.963 -1.197 -6.573 758 H VAL 125 H VAL 125 14.640 4.481 -3.473 759 HA VAL 125 HA VAL 125 14.982 5.751 -6.018 760 HB VAL 125 HB VAL 125 16.412 6.083 -3.542 761 1HG1 VAL 125 1HG1 VAL 125 16.919 8.290 -4.495 762 2HG1 VAL 125 2HG1 VAL 125 16.138 7.813 -6.003 763 3HG1 VAL 125 3HG1 VAL 125 17.602 6.987 -5.470 764 1HG2 VAL 125 1HG2 VAL 125 13.949 7.418 -4.636 765 2HG2 VAL 125 2HG2 VAL 125 14.863 7.957 -3.228 766 3HG2 VAL 125 3HG2 VAL 125 14.049 6.393 -3.204 767 H2 HC4 169 H2 HC4 169 -6.665 1.903 18.650 768 H3 HC4 169 H3 HC4 169 -7.578 3.028 20.262 769 H2' HC4 169 H2' HC4 169 -8.267 4.919 21.591 770 H3' HC4 169 H3' HC4 169 -8.239 7.300 22.187 771 H5' HC4 169 H5' HC4 169 -5.838 8.117 18.770 772 H6' HC4 169 H6' HC4 169 -5.824 5.731 18.217 773 'HO4 HC4 169 'HO4 HC4 169 -7.242 9.712 20.047 Start of MODEL 10 1 H LEU 26 H LEU 26 6.909 -1.414 -14.448 2 HA LEU 26 HA LEU 26 7.082 -4.358 -14.261 3 1HB LEU 26 1HB LEU 26 8.215 -2.079 -12.651 4 2HB LEU 26 2HB LEU 26 8.109 -3.708 -12.013 5 HG LEU 26 HG LEU 26 9.653 -2.941 -14.494 6 1HD1 LEU 26 1HD1 LEU 26 11.644 -3.245 -13.112 7 2HD1 LEU 26 2HD1 LEU 26 10.626 -3.516 -11.697 8 3HD1 LEU 26 3HD1 LEU 26 10.631 -1.941 -12.491 9 1HD2 LEU 26 1HD2 LEU 26 10.631 -5.171 -14.261 10 2HD2 LEU 26 2HD2 LEU 26 8.885 -5.260 -14.489 11 3HD2 LEU 26 3HD2 LEU 26 9.577 -5.494 -12.884 12 H ALA 27 H ALA 27 5.429 -5.320 -13.349 13 HA ALA 27 HA ALA 27 3.304 -3.887 -12.097 14 1HB ALA 27 1HB ALA 27 2.336 -6.081 -11.696 15 2HB ALA 27 2HB ALA 27 3.858 -6.849 -12.143 16 3HB ALA 27 3HB ALA 27 2.933 -5.956 -13.351 17 H PHE 28 H PHE 28 6.079 -5.725 -10.945 18 HA PHE 28 HA PHE 28 5.358 -5.824 -8.223 19 1HB PHE 28 1HB PHE 28 8.033 -5.912 -9.614 20 2HB PHE 28 2HB PHE 28 7.884 -6.022 -7.864 21 HD1 PHE 28 HD1 PHE 28 7.825 -7.813 -10.937 22 HD2 PHE 28 HD2 PHE 28 6.413 -7.886 -6.925 23 HE1 PHE 28 HE1 PHE 28 7.445 -10.238 -11.116 24 HE2 PHE 28 HE2 PHE 28 6.030 -10.309 -7.099 25 HZ PHE 28 HZ PHE 28 6.550 -11.489 -9.195 26 H GLY 29 H GLY 29 5.444 -4.364 -6.642 27 1HA GLY 29 1HA GLY 29 6.278 -2.327 -5.648 28 2HA GLY 29 2HA GLY 29 6.589 -1.721 -7.272 29 H ALA 30 H ALA 30 3.943 -2.988 -8.069 30 HA ALA 30 HA ALA 30 2.310 -0.700 -7.191 31 1HB ALA 30 1HB ALA 30 2.097 -2.325 -9.730 32 2HB ALA 30 2HB ALA 30 2.836 -0.730 -9.589 33 3HB ALA 30 3HB ALA 30 1.107 -0.929 -9.303 34 H ILE 31 H ILE 31 1.041 -1.390 -5.565 35 HA ILE 31 HA ILE 31 -0.636 -3.730 -6.146 36 HB ILE 31 HB ILE 31 0.740 -4.309 -4.589 37 1HG1 ILE 31 1HG1 ILE 31 -1.772 -4.711 -4.347 38 2HG1 ILE 31 2HG1 ILE 31 -0.669 -5.211 -3.088 39 1HG2 ILE 31 1HG2 ILE 31 0.035 -1.803 -3.098 40 2HG2 ILE 31 2HG2 ILE 31 1.599 -2.215 -3.800 41 3HG2 ILE 31 3HG2 ILE 31 0.980 -3.132 -2.427 42 1HD1 ILE 31 1HD1 ILE 31 -2.368 -2.722 -3.052 43 2HD1 ILE 31 2HD1 ILE 31 -1.250 -3.228 -1.784 44 3HD1 ILE 31 3HD1 ILE 31 -2.671 -4.208 -2.149 45 H GLN 32 H GLN 32 -2.773 -3.539 -5.808 46 HA GLN 32 HA GLN 32 -3.694 -0.826 -5.138 47 1HB GLN 32 1HB GLN 32 -5.622 -1.210 -6.554 48 2HB GLN 32 2HB GLN 32 -4.145 -1.505 -7.458 49 1HG GLN 32 1HG GLN 32 -4.446 -3.908 -7.156 50 2HG GLN 32 2HG GLN 32 -5.946 -3.606 -6.280 51 1HE2 GLN 32 1HE2 GLN 32 -7.732 -2.804 -7.412 52 2HE2 GLN 32 2HE2 GLN 32 -7.861 -2.971 -9.132 53 H LEU 33 H LEU 33 -4.878 -0.551 -3.416 54 HA LEU 33 HA LEU 33 -6.270 -2.896 -2.281 55 1HB LEU 33 1HB LEU 33 -5.837 -1.881 -0.024 56 2HB LEU 33 2HB LEU 33 -4.443 -2.560 -0.833 57 HG LEU 33 HG LEU 33 -3.943 -0.130 -1.566 58 1HD1 LEU 33 1HD1 LEU 33 -4.739 1.574 -0.002 59 2HD1 LEU 33 2HD1 LEU 33 -5.794 0.380 0.757 60 3HD1 LEU 33 3HD1 LEU 33 -6.063 0.858 -0.920 61 1HD2 LEU 33 1HD2 LEU 33 -2.598 -1.418 0.009 62 2HD2 LEU 33 2HD2 LEU 33 -3.687 -0.963 1.320 63 3HD2 LEU 33 3HD2 LEU 33 -2.723 0.269 0.506 64 H ASP 34 H ASP 34 -8.068 -2.303 -0.854 65 HA ASP 34 HA ASP 34 -9.590 -0.196 -2.185 66 1HB ASP 34 1HB ASP 34 -11.557 -1.062 -1.117 67 2HB ASP 34 2HB ASP 34 -10.652 -2.399 -1.805 68 H GLY 35 H GLY 35 -10.992 1.203 -0.889 69 1HA GLY 35 1HA GLY 35 -9.377 2.692 0.963 70 2HA GLY 35 2HA GLY 35 -11.012 3.087 0.453 71 H ASP 36 H ASP 36 -10.193 -0.025 1.762 72 HA ASP 36 HA ASP 36 -11.630 0.672 4.236 73 1HB ASP 36 1HB ASP 36 -12.941 -0.632 2.461 74 2HB ASP 36 2HB ASP 36 -11.870 -1.979 2.828 75 H GLY 37 H GLY 37 -8.865 -0.570 2.801 76 1HA GLY 37 1HA GLY 37 -6.907 -0.949 4.120 77 2HA GLY 37 2HA GLY 37 -7.938 -1.521 5.424 78 H ASN 38 H ASN 38 -8.901 -2.679 2.412 79 HA ASN 38 HA ASN 38 -7.680 -5.305 2.986 80 1HB ASN 38 1HB ASN 38 -10.232 -4.509 1.586 81 2HB ASN 38 2HB ASN 38 -9.534 -6.111 1.403 82 1HD2 ASN 38 1HD2 ASN 38 -9.369 -4.318 4.408 83 2HD2 ASN 38 2HD2 ASN 38 -10.458 -5.336 5.285 84 H ILE 39 H ILE 39 -6.765 -6.497 1.296 85 HA ILE 39 HA ILE 39 -5.617 -4.836 -0.780 86 HB ILE 39 HB ILE 39 -5.400 -7.656 -0.229 87 1HG1 ILE 39 1HG1 ILE 39 -4.632 -6.420 1.673 88 2HG1 ILE 39 2HG1 ILE 39 -3.240 -7.004 0.777 89 1HG2 ILE 39 1HG2 ILE 39 -3.736 -5.778 -1.914 90 2HG2 ILE 39 2HG2 ILE 39 -4.814 -7.030 -2.528 91 3HG2 ILE 39 3HG2 ILE 39 -3.382 -7.479 -1.601 92 1HD1 ILE 39 1HD1 ILE 39 -2.871 -4.743 1.552 93 2HD1 ILE 39 2HD1 ILE 39 -4.330 -4.199 0.725 94 3HD1 ILE 39 3HD1 ILE 39 -2.952 -4.781 -0.209 95 H LEU 40 H LEU 40 -6.254 -4.809 -2.851 96 HA LEU 40 HA LEU 40 -8.582 -6.448 -3.518 97 1HB LEU 40 1HB LEU 40 -8.681 -3.959 -3.740 98 2HB LEU 40 2HB LEU 40 -7.454 -4.066 -4.987 99 HG LEU 40 HG LEU 40 -8.978 -5.345 -6.409 100 1HD1 LEU 40 1HD1 LEU 40 -10.970 -4.973 -4.177 101 2HD1 LEU 40 2HD1 LEU 40 -10.224 -6.498 -4.657 102 3HD1 LEU 40 3HD1 LEU 40 -11.311 -5.661 -5.766 103 1HD2 LEU 40 1HD2 LEU 40 -8.987 -2.914 -6.575 104 2HD2 LEU 40 2HD2 LEU 40 -10.213 -2.822 -5.310 105 3HD2 LEU 40 3HD2 LEU 40 -10.600 -3.568 -6.861 106 H GLN 41 H GLN 41 -5.466 -5.422 -4.888 107 HA GLN 41 HA GLN 41 -5.018 -8.035 -5.979 108 1HB GLN 41 1HB GLN 41 -6.557 -7.141 -7.672 109 2HB GLN 41 2HB GLN 41 -5.501 -5.760 -7.908 110 1HG GLN 41 1HG GLN 41 -5.205 -7.328 -9.700 111 2HG GLN 41 2HG GLN 41 -3.740 -7.268 -8.722 112 1HE2 GLN 41 1HE2 GLN 41 -3.061 -9.089 -7.669 113 2HE2 GLN 41 2HE2 GLN 41 -3.823 -10.633 -7.846 114 H TYR 42 H TYR 42 -2.945 -8.348 -5.644 115 HA TYR 42 HA TYR 42 -1.047 -6.151 -5.835 116 1HB TYR 42 1HB TYR 42 -0.768 -7.779 -4.008 117 2HB TYR 42 2HB TYR 42 -0.641 -9.086 -5.179 118 HD1 TYR 42 HD1 TYR 42 1.409 -9.492 -6.361 119 HD2 TYR 42 HD2 TYR 42 1.061 -6.141 -3.765 120 HE1 TYR 42 HE1 TYR 42 3.845 -9.171 -6.462 121 HE2 TYR 42 HE2 TYR 42 3.495 -5.809 -3.856 122 HH TYR 42 HH TYR 42 5.515 -7.118 -4.333 123 H ASN 43 H ASN 43 0.014 -5.711 -7.680 124 HA ASN 43 HA ASN 43 -0.515 -7.390 -9.972 125 1HB ASN 43 1HB ASN 43 1.044 -4.806 -9.747 126 2HB ASN 43 2HB ASN 43 0.703 -5.644 -11.257 127 1HD2 ASN 43 1HD2 ASN 43 -0.531 -3.648 -8.747 128 2HD2 ASN 43 2HD2 ASN 43 -2.066 -3.309 -9.474 129 H ALA 44 H ALA 44 0.658 -9.124 -10.280 130 HA ALA 44 HA ALA 44 3.541 -9.006 -9.728 131 1HB ALA 44 1HB ALA 44 1.755 -11.403 -10.176 132 2HB ALA 44 2HB ALA 44 2.376 -10.842 -8.623 133 3HB ALA 44 3HB ALA 44 3.485 -11.464 -9.845 134 H ALA 45 H ALA 45 5.016 -9.413 -11.358 135 HA ALA 45 HA ALA 45 4.321 -8.618 -13.944 136 1HB ALA 45 1HB ALA 45 6.587 -8.422 -13.045 137 2HB ALA 45 2HB ALA 45 6.575 -9.268 -14.592 138 3HB ALA 45 3HB ALA 45 6.758 -10.177 -13.090 139 H GLU 46 H GLU 46 3.544 -9.645 -15.652 140 HA GLU 46 HA GLU 46 2.569 -12.300 -15.396 141 1HB GLU 46 1HB GLU 46 2.775 -10.538 -17.843 142 2HB GLU 46 2HB GLU 46 1.851 -12.029 -17.741 143 1HG GLU 46 1HG GLU 46 0.479 -11.008 -15.952 144 2HG GLU 46 2HG GLU 46 1.354 -9.496 -16.195 145 H GLY 47 H GLY 47 4.084 -13.841 -15.201 146 1HA GLY 47 1HA GLY 47 5.394 -14.844 -17.448 147 2HA GLY 47 2HA GLY 47 6.558 -13.882 -16.546 148 H ASP 48 H ASP 48 7.127 -14.520 -14.425 149 HA ASP 48 HA ASP 48 6.260 -17.172 -13.577 150 1HB ASP 48 1HB ASP 48 9.101 -16.504 -14.335 151 2HB ASP 48 2HB ASP 48 8.704 -17.838 -13.259 152 H ILE 49 H ILE 49 5.685 -16.838 -11.538 153 HA ILE 49 HA ILE 49 7.012 -15.031 -9.758 154 HB ILE 49 HB ILE 49 5.444 -17.387 -9.214 155 1HG1 ILE 49 1HG1 ILE 49 4.660 -14.490 -9.546 156 2HG1 ILE 49 2HG1 ILE 49 4.276 -15.792 -10.669 157 1HG2 ILE 49 1HG2 ILE 49 6.198 -14.976 -7.556 158 2HG2 ILE 49 2HG2 ILE 49 6.750 -16.633 -7.301 159 3HG2 ILE 49 3HG2 ILE 49 5.049 -16.226 -7.076 160 1HD1 ILE 49 1HD1 ILE 49 2.937 -16.880 -8.951 161 2HD1 ILE 49 2HD1 ILE 49 2.377 -15.237 -9.256 162 3HD1 ILE 49 3HD1 ILE 49 3.334 -15.591 -7.817 163 H THR 50 H THR 50 7.166 -18.431 -10.525 164 HA THR 50 HA THR 50 8.515 -20.132 -9.962 165 HB THR 50 HB THR 50 9.628 -19.075 -11.569 166 HG1 THR 50 HG1 THR 50 10.466 -20.916 -10.203 167 1HG2 THR 50 1HG2 THR 50 11.152 -17.598 -9.436 168 2HG2 THR 50 2HG2 THR 50 10.054 -16.877 -10.614 169 3HG2 THR 50 3HG2 THR 50 11.547 -17.644 -11.155 170 H GLY 51 H GLY 51 7.628 -20.037 -7.780 171 1HA GLY 51 1HA GLY 51 9.234 -20.927 -5.880 172 2HA GLY 51 2HA GLY 51 9.526 -19.202 -5.731 173 H ARG 52 H ARG 52 8.441 -20.879 -3.704 174 HA ARG 52 HA ARG 52 5.629 -20.163 -3.570 175 1HB ARG 52 1HB ARG 52 5.778 -21.266 -1.286 176 2HB ARG 52 2HB ARG 52 6.067 -22.300 -2.676 177 1HG ARG 52 1HG ARG 52 8.451 -22.201 -2.296 178 2HG ARG 52 2HG ARG 52 8.215 -21.084 -0.952 179 1HD ARG 52 1HD ARG 52 8.592 -23.404 -0.208 180 2HD ARG 52 2HD ARG 52 7.028 -22.769 0.298 181 HE ARG 52 HE ARG 52 6.021 -24.091 -1.504 182 1HH1 ARG 52 1HH1 ARG 52 9.308 -24.883 -0.585 183 2HH1 ARG 52 2HH1 ARG 52 9.180 -26.547 -1.072 184 1HH2 ARG 52 1HH2 ARG 52 5.850 -26.282 -2.154 185 2HH2 ARG 52 2HH2 ARG 52 7.211 -27.347 -1.946 186 H ASP 53 H ASP 53 5.648 -17.958 -3.528 187 HA ASP 53 HA ASP 53 7.349 -16.466 -1.768 188 1HB ASP 53 1HB ASP 53 6.365 -15.774 -4.071 189 2HB ASP 53 2HB ASP 53 4.914 -15.372 -3.161 190 HA PRO 54 HA PRO 54 4.573 -16.738 1.731 191 1HB PRO 54 1HB PRO 54 5.943 -15.126 3.398 192 2HB PRO 54 2HB PRO 54 6.513 -16.746 2.979 193 1HG PRO 54 1HG PRO 54 7.358 -14.097 1.864 194 2HG PRO 54 2HG PRO 54 8.364 -15.471 2.361 195 1HD PRO 54 1HD PRO 54 7.716 -14.972 -0.229 196 2HD PRO 54 2HD PRO 54 7.996 -16.609 0.398 197 H LYS 55 H LYS 55 3.843 -14.908 -0.383 198 HA LYS 55 HA LYS 55 3.289 -12.354 0.838 199 1HB LYS 55 1HB LYS 55 2.720 -13.577 -1.837 200 2HB LYS 55 2HB LYS 55 1.858 -12.128 -1.338 201 1HG LYS 55 1HG LYS 55 3.906 -10.905 -1.144 202 2HG LYS 55 2HG LYS 55 4.857 -12.365 -1.428 203 1HD LYS 55 1HD LYS 55 4.039 -12.533 -3.675 204 2HD LYS 55 2HD LYS 55 2.904 -11.209 -3.408 205 1HE LYS 55 1HE LYS 55 4.873 -10.483 -4.674 206 2HE LYS 55 2HE LYS 55 4.744 -9.654 -3.125 207 1HZ LYS 55 1HZ LYS 55 6.495 -12.008 -3.614 208 2HZ LYS 55 2HZ LYS 55 6.450 -11.042 -2.222 209 3HZ LYS 55 3HZ LYS 55 7.017 -10.397 -3.681 210 H GLN 56 H GLN 56 1.930 -12.634 2.558 211 HA GLN 56 HA GLN 56 -0.740 -13.684 1.932 212 1HB GLN 56 1HB GLN 56 0.662 -13.128 4.539 213 2HB GLN 56 2HB GLN 56 -1.080 -13.369 4.458 214 1HG GLN 56 1HG GLN 56 -0.728 -15.574 3.466 215 2HG GLN 56 2HG GLN 56 1.015 -15.332 3.558 216 1HE2 GLN 56 1HE2 GLN 56 -0.770 -17.343 4.768 217 2HE2 GLN 56 2HE2 GLN 56 -0.440 -17.282 6.470 218 H VAL 57 H VAL 57 0.839 -10.939 1.591 219 HA VAL 57 HA VAL 57 -1.175 -9.120 2.602 220 HB VAL 57 HB VAL 57 1.095 -8.697 2.626 221 1HG1 VAL 57 1HG1 VAL 57 1.859 -9.598 0.546 222 2HG1 VAL 57 2HG1 VAL 57 2.151 -7.860 0.548 223 3HG1 VAL 57 3HG1 VAL 57 0.794 -8.523 -0.362 224 1HG2 VAL 57 1HG2 VAL 57 -0.668 -6.784 1.135 225 2HG2 VAL 57 2HG2 VAL 57 0.864 -6.369 1.906 226 3HG2 VAL 57 3HG2 VAL 57 -0.492 -6.935 2.884 227 H ILE 58 H ILE 58 -2.098 -11.052 0.847 228 HA ILE 58 HA ILE 58 -3.388 -9.428 -1.143 229 HB ILE 58 HB ILE 58 -1.490 -10.034 -2.200 230 1HG1 ILE 58 1HG1 ILE 58 -2.485 -11.244 -4.114 231 2HG1 ILE 58 2HG1 ILE 58 -3.908 -11.575 -3.135 232 1HG2 ILE 58 1HG2 ILE 58 -0.852 -11.992 -0.936 233 2HG2 ILE 58 2HG2 ILE 58 -0.958 -12.391 -2.651 234 3HG2 ILE 58 3HG2 ILE 58 -2.247 -12.876 -1.550 235 1HD1 ILE 58 1HD1 ILE 58 -4.344 -9.180 -2.964 236 2HD1 ILE 58 2HD1 ILE 58 -4.285 -9.718 -4.643 237 3HD1 ILE 58 3HD1 ILE 58 -2.916 -8.854 -3.946 238 H GLY 59 H GLY 59 -5.277 -10.416 -1.955 239 1HA GLY 59 1HA GLY 59 -7.089 -11.846 -1.899 240 2HA GLY 59 2HA GLY 59 -6.089 -13.017 -1.048 241 H LYS 60 H LYS 60 -6.112 -9.867 0.259 242 HA LYS 60 HA LYS 60 -7.617 -10.831 2.549 243 1HB LYS 60 1HB LYS 60 -5.571 -9.732 3.109 244 2HB LYS 60 2HB LYS 60 -5.945 -8.365 2.068 245 1HG LYS 60 1HG LYS 60 -6.180 -7.856 4.470 246 2HG LYS 60 2HG LYS 60 -7.677 -7.630 3.570 247 1HD LYS 60 1HD LYS 60 -8.268 -8.702 5.599 248 2HD LYS 60 2HD LYS 60 -8.352 -9.936 4.342 249 1HE LYS 60 1HE LYS 60 -7.281 -10.918 6.227 250 2HE LYS 60 2HE LYS 60 -6.044 -10.649 5.000 251 1HZ LYS 60 1HZ LYS 60 -6.548 -8.914 7.362 252 2HZ LYS 60 2HZ LYS 60 -5.355 -8.659 6.189 253 3HZ LYS 60 3HZ LYS 60 -5.270 -10.014 7.198 254 H ASN 61 H ASN 61 -9.702 -10.863 1.828 255 HA ASN 61 HA ASN 61 -10.903 -8.192 1.741 256 1HB ASN 61 1HB ASN 61 -10.953 -9.163 -0.560 257 2HB ASN 61 2HB ASN 61 -11.879 -10.522 0.073 258 1HD2 ASN 61 1HD2 ASN 61 -11.915 -7.080 -0.547 259 2HD2 ASN 61 2HD2 ASN 61 -13.633 -6.895 -0.509 260 H PHE 62 H PHE 62 -11.620 -8.145 3.736 261 HA PHE 62 HA PHE 62 -13.618 -9.933 4.709 262 1HB PHE 62 1HB PHE 62 -11.499 -11.290 4.925 263 2HB PHE 62 2HB PHE 62 -10.881 -10.051 6.007 264 HD1 PHE 62 HD1 PHE 62 -14.038 -12.011 5.671 265 HD2 PHE 62 HD2 PHE 62 -10.918 -10.632 8.214 266 HE1 PHE 62 HE1 PHE 62 -15.099 -13.145 7.577 267 HE2 PHE 62 HE2 PHE 62 -11.971 -11.773 10.124 268 HZ PHE 62 HZ PHE 62 -13.997 -13.088 9.805 269 H PHE 63 H PHE 63 -14.708 -8.903 6.368 270 HA PHE 63 HA PHE 63 -13.969 -6.141 6.757 271 1HB PHE 63 1HB PHE 63 -16.367 -7.704 7.732 272 2HB PHE 63 2HB PHE 63 -16.157 -5.962 7.904 273 HD1 PHE 63 HD1 PHE 63 -16.123 -4.521 5.897 274 HD2 PHE 63 HD2 PHE 63 -17.071 -8.662 5.683 275 HE1 PHE 63 HE1 PHE 63 -17.131 -4.172 3.679 276 HE2 PHE 63 HE2 PHE 63 -18.081 -8.323 3.465 277 HZ PHE 63 HZ PHE 63 -18.078 -6.081 2.444 278 H LYS 64 H LYS 64 -12.193 -7.968 7.930 279 HA LYS 64 HA LYS 64 -11.936 -6.817 10.499 280 1HB LYS 64 1HB LYS 64 -13.645 -8.895 10.631 281 2HB LYS 64 2HB LYS 64 -12.129 -9.777 10.743 282 1HG LYS 64 1HG LYS 64 -12.942 -9.322 12.952 283 2HG LYS 64 2HG LYS 64 -11.490 -8.359 12.666 284 1HD LYS 64 1HD LYS 64 -12.879 -6.410 12.168 285 2HD LYS 64 2HD LYS 64 -14.333 -7.373 12.428 286 1HE LYS 64 1HE LYS 64 -13.718 -7.709 14.749 287 2HE LYS 64 2HE LYS 64 -12.214 -6.822 14.501 288 1HZ LYS 64 1HZ LYS 64 -13.972 -5.472 15.532 289 2HZ LYS 64 2HZ LYS 64 -14.930 -5.664 14.151 290 3HZ LYS 64 3HZ LYS 64 -13.457 -4.833 14.049 291 H ASP 65 H ASP 65 -9.995 -7.833 11.632 292 HA ASP 65 HA ASP 65 -7.789 -8.299 11.623 293 1HB ASP 65 1HB ASP 65 -8.567 -10.544 10.910 294 2HB ASP 65 2HB ASP 65 -8.388 -10.046 9.231 295 H VAL 66 H VAL 66 -7.711 -6.026 10.999 296 HA VAL 66 HA VAL 66 -6.370 -5.697 8.395 297 HB VAL 66 HB VAL 66 -6.754 -3.397 8.712 298 1HG1 VAL 66 1HG1 VAL 66 -7.979 -4.771 7.137 299 2HG1 VAL 66 2HG1 VAL 66 -9.072 -3.611 7.897 300 3HG1 VAL 66 3HG1 VAL 66 -9.076 -5.297 8.415 301 1HG2 VAL 66 1HG2 VAL 66 -7.293 -3.463 11.133 302 2HG2 VAL 66 2HG2 VAL 66 -8.792 -4.304 10.732 303 3HG2 VAL 66 3HG2 VAL 66 -8.515 -2.665 10.146 304 H ALA 67 H ALA 67 -6.334 -4.884 11.819 305 HA ALA 67 HA ALA 67 -3.457 -4.291 11.584 306 1HB ALA 67 1HB ALA 67 -3.656 -3.094 13.704 307 2HB ALA 67 2HB ALA 67 -5.374 -3.491 13.778 308 3HB ALA 67 3HB ALA 67 -4.767 -2.433 12.503 309 HA PRO 68 HA PRO 68 -3.038 -8.417 13.235 310 1HB PRO 68 1HB PRO 68 -0.308 -7.392 13.834 311 2HB PRO 68 2HB PRO 68 -0.799 -8.866 12.992 312 1HG PRO 68 1HG PRO 68 0.141 -6.790 11.626 313 2HG PRO 68 2HG PRO 68 -1.211 -7.749 10.997 314 1HD PRO 68 1HD PRO 68 -1.237 -5.054 12.292 315 2HD PRO 68 2HD PRO 68 -2.214 -5.668 10.942 316 H CYS 69 H CYS 69 -1.435 -5.766 15.002 317 HA CYS 69 HA CYS 69 -2.881 -6.465 17.409 318 1HB CYS 69 1HB CYS 69 0.086 -6.800 17.127 319 2HB CYS 69 2HB CYS 69 -0.600 -6.338 18.681 320 H THR 70 H THR 70 -1.182 -4.907 19.131 321 HA THR 70 HA THR 70 -2.395 -2.399 18.712 322 HB THR 70 HB THR 70 -0.055 -2.911 20.281 323 HG1 THR 70 HG1 THR 70 -1.406 -4.536 20.880 324 1HG2 THR 70 1HG2 THR 70 -2.443 -1.101 20.582 325 2HG2 THR 70 2HG2 THR 70 -0.817 -0.601 20.117 326 3HG2 THR 70 3HG2 THR 70 -1.110 -1.264 21.725 327 H ASP 71 H ASP 71 -1.847 -0.877 17.337 328 HA ASP 71 HA ASP 71 -0.681 0.740 16.275 329 1HB ASP 71 1HB ASP 71 0.437 1.237 18.323 330 2HB ASP 71 2HB ASP 71 1.514 -0.143 18.141 331 H SER 72 H SER 72 -0.523 0.266 14.197 332 HA SER 72 HA SER 72 1.931 -1.061 13.326 333 1HB SER 72 1HB SER 72 0.071 -2.757 13.343 334 2HB SER 72 2HB SER 72 -0.776 -1.761 12.163 335 HG SER 72 HG SER 72 1.873 -2.441 11.583 336 HA PRO 73 HA PRO 73 1.459 2.734 10.860 337 1HB PRO 73 1HB PRO 73 4.344 2.491 10.517 338 2HB PRO 73 2HB PRO 73 3.427 3.769 11.316 339 1HG PRO 73 1HG PRO 73 5.013 2.037 12.665 340 2HG PRO 73 2HG PRO 73 3.553 2.755 13.371 341 1HD PRO 73 1HD PRO 73 3.940 0.030 12.183 342 2HD PRO 73 2HD PRO 73 3.060 0.502 13.654 343 H GLU 74 H GLU 74 0.673 0.447 9.651 344 HA GLU 74 HA GLU 74 2.421 -0.140 7.408 345 1HB GLU 74 1HB GLU 74 0.987 -1.859 8.605 346 2HB GLU 74 2HB GLU 74 -0.412 -1.097 7.862 347 1HG GLU 74 1HG GLU 74 0.252 -3.066 6.631 348 2HG GLU 74 2HG GLU 74 0.480 -1.620 5.649 349 H PHE 75 H PHE 75 0.255 2.221 8.193 350 HA PHE 75 HA PHE 75 -0.936 2.607 5.593 351 1HB PHE 75 1HB PHE 75 -0.867 4.549 7.912 352 2HB PHE 75 2HB PHE 75 -1.992 4.540 6.559 353 HD1 PHE 75 HD1 PHE 75 -3.513 2.466 6.329 354 HD2 PHE 75 HD2 PHE 75 -1.418 3.484 9.890 355 HE1 PHE 75 HE1 PHE 75 -5.073 1.085 7.636 356 HE2 PHE 75 HE2 PHE 75 -2.972 2.101 11.203 357 HZ PHE 75 HZ PHE 75 -4.803 0.900 10.077 358 H TYR 76 H TYR 76 0.477 3.112 4.039 359 HA TYR 76 HA TYR 76 2.962 4.325 4.450 360 1HB TYR 76 1HB TYR 76 1.412 4.157 1.862 361 2HB TYR 76 2HB TYR 76 3.151 4.382 2.028 362 HD1 TYR 76 HD1 TYR 76 4.495 2.505 3.124 363 HD2 TYR 76 HD2 TYR 76 0.491 2.004 1.776 364 HE1 TYR 76 HE1 TYR 76 4.809 0.065 3.115 365 HE2 TYR 76 HE2 TYR 76 0.791 -0.436 1.769 366 HH TYR 76 HH TYR 76 3.261 -1.981 3.324 367 H GLY 77 H GLY 77 0.311 5.756 2.503 368 1HA GLY 77 1HA GLY 77 1.485 8.385 2.982 369 2HA GLY 77 2HA GLY 77 0.208 8.005 1.835 370 H LYS 78 H LYS 78 0.371 7.218 5.266 371 HA LYS 78 HA LYS 78 -1.128 7.492 6.950 372 1HB LYS 78 1HB LYS 78 -0.117 9.815 6.650 373 2HB LYS 78 2HB LYS 78 -1.592 10.241 5.796 374 1HG LYS 78 1HG LYS 78 -2.878 10.171 7.698 375 2HG LYS 78 2HG LYS 78 -1.782 9.064 8.528 376 1HD LYS 78 1HD LYS 78 -1.183 11.954 7.890 377 2HD LYS 78 2HD LYS 78 -1.704 11.348 9.464 378 1HE LYS 78 1HE LYS 78 0.290 9.946 9.592 379 2HE LYS 78 2HE LYS 78 0.807 10.518 8.008 380 1HZ LYS 78 1HZ LYS 78 0.416 12.293 10.361 381 2HZ LYS 78 2HZ LYS 78 1.106 12.707 8.868 382 3HZ LYS 78 3HZ LYS 78 1.914 11.639 9.902 383 H PHE 79 H PHE 79 -2.429 5.904 5.877 384 HA PHE 79 HA PHE 79 -4.075 6.284 3.715 385 1HB PHE 79 1HB PHE 79 -3.393 4.098 4.642 386 2HB PHE 79 2HB PHE 79 -4.518 4.331 5.974 387 HD1 PHE 79 HD1 PHE 79 -6.763 3.745 5.763 388 HD2 PHE 79 HD2 PHE 79 -4.316 3.975 2.289 389 HE1 PHE 79 HE1 PHE 79 -8.557 2.712 4.438 390 HE2 PHE 79 HE2 PHE 79 -6.105 2.935 0.955 391 HZ PHE 79 HZ PHE 79 -8.223 2.329 2.002 392 H LYS 80 H LYS 80 -4.820 6.949 7.096 393 HA LYS 80 HA LYS 80 -7.658 6.932 6.699 394 1HB LYS 80 1HB LYS 80 -6.568 6.438 8.892 395 2HB LYS 80 2HB LYS 80 -6.123 8.136 9.008 396 1HG LYS 80 1HG LYS 80 -8.441 8.788 9.070 397 2HG LYS 80 2HG LYS 80 -8.951 7.123 8.794 398 1HD LYS 80 1HD LYS 80 -7.392 8.074 11.195 399 2HD LYS 80 2HD LYS 80 -9.139 7.829 11.159 400 1HE LYS 80 1HE LYS 80 -8.768 5.457 10.596 401 2HE LYS 80 2HE LYS 80 -7.028 5.719 10.712 402 1HZ LYS 80 1HZ LYS 80 -9.008 6.015 12.909 403 2HZ LYS 80 2HZ LYS 80 -7.357 6.374 13.045 404 3HZ LYS 80 3HZ LYS 80 -7.855 4.778 12.752 405 H GLU 81 H GLU 81 -5.144 9.255 6.362 406 HA GLU 81 HA GLU 81 -6.923 11.535 6.400 407 1HB GLU 81 1HB GLU 81 -4.536 11.664 7.153 408 2HB GLU 81 2HB GLU 81 -4.040 11.356 5.496 409 1HG GLU 81 1HG GLU 81 -3.920 13.725 6.075 410 2HG GLU 81 2HG GLU 81 -5.064 13.419 4.769 411 H GLY 82 H GLY 82 -5.436 9.377 4.126 412 1HA GLY 82 1HA GLY 82 -5.919 10.763 1.775 413 2HA GLY 82 2HA GLY 82 -5.714 9.035 1.919 414 H VAL 83 H VAL 83 -7.800 8.450 3.593 415 HA VAL 83 HA VAL 83 -9.976 8.228 1.783 416 HB VAL 83 HB VAL 83 -9.847 7.952 4.638 417 1HG1 VAL 83 1HG1 VAL 83 -12.136 8.125 3.789 418 2HG1 VAL 83 2HG1 VAL 83 -11.776 6.471 4.283 419 3HG1 VAL 83 3HG1 VAL 83 -11.786 6.898 2.573 420 1HG2 VAL 83 1HG2 VAL 83 -9.495 5.588 4.121 421 2HG2 VAL 83 2HG2 VAL 83 -8.175 6.599 3.533 422 3HG2 VAL 83 3HG2 VAL 83 -9.387 5.986 2.407 423 H ALA 84 H ALA 84 -9.371 10.221 4.643 424 HA ALA 84 HA ALA 84 -12.039 11.231 4.715 425 1HB ALA 84 1HB ALA 84 -9.588 12.160 6.204 426 2HB ALA 84 2HB ALA 84 -10.736 10.945 6.766 427 3HB ALA 84 3HB ALA 84 -11.253 12.619 6.564 428 H SER 85 H SER 85 -8.964 12.318 3.484 429 HA SER 85 HA SER 85 -9.848 14.942 2.801 430 1HB SER 85 1HB SER 85 -7.930 14.968 1.214 431 2HB SER 85 2HB SER 85 -7.465 14.457 2.837 432 HG SER 85 HG SER 85 -7.153 12.447 2.149 433 H GLY 86 H GLY 86 -10.018 11.806 1.249 434 1HA GLY 86 1HA GLY 86 -11.982 11.242 0.011 435 2HA GLY 86 2HA GLY 86 -12.111 12.923 -0.483 436 H ASN 87 H ASN 87 -8.966 11.649 -0.609 437 HA ASN 87 HA ASN 87 -8.933 10.522 -3.149 438 1HB ASN 87 1HB ASN 87 -8.006 12.388 -4.517 439 2HB ASN 87 2HB ASN 87 -9.689 12.615 -4.071 440 1HD2 ASN 87 1HD2 ASN 87 -10.232 14.250 -2.581 441 2HD2 ASN 87 2HD2 ASN 87 -9.129 15.537 -2.229 442 H LEU 88 H LEU 88 -7.674 9.477 -1.398 443 HA LEU 88 HA LEU 88 -5.141 10.289 -0.624 444 1HB LEU 88 1HB LEU 88 -6.609 8.095 -0.190 445 2HB LEU 88 2HB LEU 88 -5.477 7.446 -1.364 446 HG LEU 88 HG LEU 88 -4.697 8.892 1.107 447 1HD1 LEU 88 1HD1 LEU 88 -5.883 6.853 1.701 448 2HD1 LEU 88 2HD1 LEU 88 -4.165 6.683 2.060 449 3HD1 LEU 88 3HD1 LEU 88 -4.847 5.922 0.622 450 1HD2 LEU 88 1HD2 LEU 88 -2.983 8.941 -0.595 451 2HD2 LEU 88 2HD2 LEU 88 -3.090 7.191 -0.786 452 3HD2 LEU 88 3HD2 LEU 88 -2.486 7.881 0.721 453 H ASN 89 H ASN 89 -4.185 11.379 -2.357 454 HA ASN 89 HA ASN 89 -2.796 9.582 -4.184 455 1HB ASN 89 1HB ASN 89 -4.637 10.330 -5.536 456 2HB ASN 89 2HB ASN 89 -4.420 11.989 -5.019 457 1HD2 ASN 89 1HD2 ASN 89 -2.780 13.234 -5.947 458 2HD2 ASN 89 2HD2 ASN 89 -1.951 12.734 -7.384 459 H THR 90 H THR 90 -0.792 9.873 -3.338 460 HA THR 90 HA THR 90 0.373 12.494 -3.652 461 HB THR 90 HB THR 90 -0.506 12.490 -1.541 462 HG1 THR 90 HG1 THR 90 1.560 13.494 -2.164 463 1HG2 THR 90 1HG2 THR 90 1.318 10.144 -1.047 464 2HG2 THR 90 2HG2 THR 90 -0.445 10.126 -0.996 465 3HG2 THR 90 3HG2 THR 90 0.463 11.064 0.191 466 H MET 91 H MET 91 2.647 12.453 -3.631 467 HA MET 91 HA MET 91 3.876 9.798 -3.557 468 1HB MET 91 1HB MET 91 5.341 10.507 -5.487 469 2HB MET 91 2HB MET 91 3.667 10.148 -5.893 470 1HG MET 91 1HG MET 91 3.176 12.551 -5.910 471 2HG MET 91 2HG MET 91 4.864 12.888 -5.532 472 1HE MET 91 1HE MET 91 4.527 14.047 -9.257 473 2HE MET 91 2HE MET 91 4.956 14.524 -7.614 474 3HE MET 91 3HE MET 91 3.279 14.152 -8.014 475 H PHE 92 H PHE 92 5.325 9.820 -2.052 476 HA PHE 92 HA PHE 92 7.216 12.027 -1.917 477 1HB PHE 92 1HB PHE 92 7.070 12.140 0.541 478 2HB PHE 92 2HB PHE 92 5.551 12.597 -0.214 479 HD1 PHE 92 HD1 PHE 92 3.640 10.980 -0.190 480 HD2 PHE 92 HD2 PHE 92 7.204 10.329 2.046 481 HE1 PHE 92 HE1 PHE 92 2.461 9.330 1.207 482 HE2 PHE 92 HE2 PHE 92 6.030 8.681 3.443 483 HZ PHE 92 HZ PHE 92 3.642 8.202 3.037 484 H GLU 93 H GLU 93 9.258 11.347 -1.507 485 HA GLU 93 HA GLU 93 9.548 8.471 -1.074 486 1HB GLU 93 1HB GLU 93 11.919 8.814 -1.796 487 2HB GLU 93 2HB GLU 93 10.712 9.132 -3.030 488 1HG GLU 93 1HG GLU 93 11.028 11.451 -2.892 489 2HG GLU 93 2HG GLU 93 11.927 11.317 -1.377 490 H TYR 94 H TYR 94 9.994 7.774 0.842 491 HA TYR 94 HA TYR 94 11.308 9.591 2.745 492 1HB TYR 94 1HB TYR 94 9.036 8.810 3.393 493 2HB TYR 94 2HB TYR 94 9.605 7.146 3.313 494 HD1 TYR 94 HD1 TYR 94 10.678 6.150 5.161 495 HD2 TYR 94 HD2 TYR 94 10.086 10.363 5.099 496 HE1 TYR 94 HE1 TYR 94 11.392 6.279 7.510 497 HE2 TYR 94 HE2 TYR 94 10.799 10.503 7.447 498 HH TYR 94 HH TYR 94 12.373 7.994 9.049 499 H THR 95 H THR 95 13.431 9.191 2.576 500 HA THR 95 HA THR 95 14.332 6.515 1.988 501 HB THR 95 HB THR 95 15.281 8.279 0.965 502 HG1 THR 95 HG1 THR 95 17.387 7.509 2.548 503 1HG2 THR 95 1HG2 THR 95 16.752 9.810 2.167 504 2HG2 THR 95 2HG2 THR 95 16.205 9.133 3.700 505 3HG2 THR 95 3HG2 THR 95 15.071 9.999 2.664 506 H PHE 96 H PHE 96 15.441 5.175 3.301 507 HA PHE 96 HA PHE 96 15.490 5.882 6.141 508 1HB PHE 96 1HB PHE 96 15.929 3.212 4.773 509 2HB PHE 96 2HB PHE 96 15.921 3.475 6.512 510 HD1 PHE 96 HD1 PHE 96 13.815 4.103 7.653 511 HD2 PHE 96 HD2 PHE 96 13.912 3.012 3.541 512 HE1 PHE 96 HE1 PHE 96 11.383 3.735 7.697 513 HE2 PHE 96 HE2 PHE 96 11.479 2.641 3.576 514 HZ PHE 96 HZ PHE 96 10.214 2.988 5.659 515 H ASP 97 H ASP 97 17.293 6.920 6.681 516 HA ASP 97 HA ASP 97 19.688 6.899 5.242 517 1HB ASP 97 1HB ASP 97 20.657 8.125 7.060 518 2HB ASP 97 2HB ASP 97 18.984 8.646 6.913 519 H TYR 98 H TYR 98 18.487 4.851 7.772 520 HA TYR 98 HA TYR 98 18.990 2.715 8.303 521 1HB TYR 98 1HB TYR 98 19.279 2.647 5.753 522 2HB TYR 98 2HB TYR 98 21.007 2.690 6.070 523 HD1 TYR 98 HD1 TYR 98 21.999 0.626 5.808 524 HD2 TYR 98 HD2 TYR 98 18.100 0.823 7.510 525 HE1 TYR 98 HE1 TYR 98 21.982 -1.824 6.053 526 HE2 TYR 98 HE2 TYR 98 18.079 -1.621 7.759 527 HH TYR 98 HH TYR 98 20.879 -3.538 7.368 528 H GLN 99 H GLN 99 22.205 3.287 7.034 529 HA GLN 99 HA GLN 99 23.423 3.858 9.557 530 1HB GLN 99 1HB GLN 99 23.503 1.063 8.456 531 2HB GLN 99 2HB GLN 99 24.869 1.694 9.360 532 1HG GLN 99 1HG GLN 99 23.820 1.509 11.324 533 2HG GLN 99 2HG GLN 99 22.282 2.071 10.671 534 1HE2 GLN 99 1HE2 GLN 99 22.874 -0.165 12.472 535 2HE2 GLN 99 2HE2 GLN 99 22.239 -1.572 11.696 536 H MET 100 H MET 100 24.071 2.275 6.441 537 HA MET 100 HA MET 100 26.439 3.983 6.110 538 1HB MET 100 1HB MET 100 25.704 1.509 4.534 539 2HB MET 100 2HB MET 100 27.227 2.380 4.477 540 1HG MET 100 1HG MET 100 27.734 0.548 5.769 541 2HG MET 100 2HG MET 100 27.411 1.790 6.973 542 1HE MET 100 1HE MET 100 24.465 -1.583 5.859 543 2HE MET 100 2HE MET 100 26.078 -1.412 5.166 544 3HE MET 100 3HE MET 100 24.824 -0.233 4.783 545 H THR 101 H THR 101 24.161 2.417 3.879 546 HA THR 101 HA THR 101 24.120 4.904 2.329 547 HB THR 101 HB THR 101 24.945 3.105 1.242 548 HG1 THR 101 HG1 THR 101 22.443 4.182 0.490 549 1HG2 THR 101 1HG2 THR 101 23.931 1.232 2.303 550 2HG2 THR 101 2HG2 THR 101 23.414 1.240 0.620 551 3HG2 THR 101 3HG2 THR 101 22.317 1.798 1.882 552 HA PRO 102 HA PRO 102 19.847 5.410 3.388 553 1HB PRO 102 1HB PRO 102 19.096 7.074 1.377 554 2HB PRO 102 2HB PRO 102 20.072 7.606 2.751 555 1HG PRO 102 1HG PRO 102 20.938 6.860 -0.015 556 2HG PRO 102 2HG PRO 102 21.480 8.209 1.001 557 1HD PRO 102 1HD PRO 102 22.908 5.924 0.715 558 2HD PRO 102 2HD PRO 102 22.923 6.883 2.208 559 H THR 103 H THR 103 18.461 3.787 3.102 560 HA THR 103 HA THR 103 17.967 2.692 0.442 561 HB THR 103 HB THR 103 16.661 2.139 2.941 562 HG1 THR 103 HG1 THR 103 19.176 1.948 2.551 563 1HG2 THR 103 1HG2 THR 103 17.027 0.620 0.364 564 2HG2 THR 103 2HG2 THR 103 15.520 1.308 0.968 565 3HG2 THR 103 3HG2 THR 103 16.291 -0.023 1.832 566 H LYS 104 H LYS 104 16.777 4.103 -0.731 567 HA LYS 104 HA LYS 104 14.746 5.693 0.620 568 1HB LYS 104 1HB LYS 104 16.352 6.889 -0.759 569 2HB LYS 104 2HB LYS 104 15.929 5.906 -2.152 570 1HG LYS 104 1HG LYS 104 13.630 7.246 -0.978 571 2HG LYS 104 2HG LYS 104 14.881 8.361 -1.521 572 1HD LYS 104 1HD LYS 104 13.745 6.144 -3.221 573 2HD LYS 104 2HD LYS 104 13.155 7.805 -3.249 574 1HE LYS 104 1HE LYS 104 15.997 6.987 -3.836 575 2HE LYS 104 2HE LYS 104 14.770 7.288 -5.065 576 1HZ LYS 104 1HZ LYS 104 15.779 9.269 -3.095 577 2HZ LYS 104 2HZ LYS 104 14.576 9.568 -4.247 578 3HZ LYS 104 3HZ LYS 104 16.162 9.223 -4.741 579 H VAL 105 H VAL 105 12.671 5.213 0.528 580 HA VAL 105 HA VAL 105 11.702 3.720 -1.789 581 HB VAL 105 HB VAL 105 9.813 3.284 -0.622 582 1HG1 VAL 105 1HG1 VAL 105 11.663 1.706 -0.654 583 2HG1 VAL 105 2HG1 VAL 105 10.841 1.666 0.906 584 3HG1 VAL 105 3HG1 VAL 105 12.384 2.503 0.745 585 1HG2 VAL 105 1HG2 VAL 105 9.729 3.640 1.790 586 2HG2 VAL 105 2HG2 VAL 105 9.731 5.160 0.894 587 3HG2 VAL 105 3HG2 VAL 105 11.202 4.604 1.693 588 H LYS 106 H LYS 106 9.630 4.338 -2.617 589 HA LYS 106 HA LYS 106 8.980 7.162 -2.155 590 1HB LYS 106 1HB LYS 106 10.392 6.904 -4.201 591 2HB LYS 106 2HB LYS 106 9.156 5.856 -4.879 592 1HG LYS 106 1HG LYS 106 7.557 7.718 -4.808 593 2HG LYS 106 2HG LYS 106 8.824 8.764 -4.165 594 1HD LYS 106 1HD LYS 106 8.933 7.335 -6.820 595 2HD LYS 106 2HD LYS 106 8.503 9.031 -6.599 596 1HE LYS 106 1HE LYS 106 11.122 7.877 -5.663 597 2HE LYS 106 2HE LYS 106 10.899 8.552 -7.277 598 1HZ LYS 106 1HZ LYS 106 10.134 10.166 -4.944 599 2HZ LYS 106 2HZ LYS 106 10.674 10.666 -6.469 600 3HZ LYS 106 3HZ LYS 106 11.775 10.033 -5.343 601 H VAL 107 H VAL 107 6.911 7.359 -1.612 602 HA VAL 107 HA VAL 107 5.132 5.082 -2.115 603 HB VAL 107 HB VAL 107 4.380 7.432 -0.701 604 1HG1 VAL 107 1HG1 VAL 107 2.759 5.702 -1.174 605 2HG1 VAL 107 2HG1 VAL 107 3.124 5.750 0.551 606 3HG1 VAL 107 3HG1 VAL 107 3.814 4.481 -0.462 607 1HG2 VAL 107 1HG2 VAL 107 6.186 5.254 0.361 608 2HG2 VAL 107 2HG2 VAL 107 5.320 6.430 1.347 609 3HG2 VAL 107 3HG2 VAL 107 6.568 6.972 0.227 610 H HIS 108 H HIS 108 4.246 5.318 -4.127 611 HA HIS 108 HA HIS 108 2.804 7.857 -4.523 612 1HB HIS 108 1HB HIS 108 4.374 6.990 -6.365 613 2HB HIS 108 2HB HIS 108 3.192 5.710 -6.611 614 HD1 HIS 108 HD1 HIS 108 4.056 8.328 -8.471 615 HD2 HIS 108 HD2 HIS 108 0.496 7.599 -6.454 616 HE1 HIS 108 HE1 HIS 108 2.299 9.642 -9.703 617 HE2 HIS 108 HE2 HIS 108 0.121 9.012 -8.602 618 H MET 109 H MET 109 0.996 7.617 -3.419 619 HA MET 109 HA MET 109 -0.602 5.193 -3.919 620 1HB MET 109 1HB MET 109 -0.714 7.173 -1.631 621 2HB MET 109 2HB MET 109 -1.897 5.899 -1.885 622 1HG MET 109 1HG MET 109 -0.046 4.242 -1.690 623 2HG MET 109 2HG MET 109 1.025 5.572 -1.255 624 1HE MET 109 1HE MET 109 -2.756 4.978 -0.301 625 2HE MET 109 2HE MET 109 -2.586 4.182 1.263 626 3HE MET 109 3HE MET 109 -2.033 3.372 -0.203 627 H LYS 110 H LYS 110 -2.660 5.459 -4.761 628 HA LYS 110 HA LYS 110 -3.487 8.202 -5.275 629 1HB LYS 110 1HB LYS 110 -3.734 7.838 -7.680 630 2HB LYS 110 2HB LYS 110 -2.056 7.685 -7.185 631 1HG LYS 110 1HG LYS 110 -2.185 5.286 -7.321 632 2HG LYS 110 2HG LYS 110 -3.914 5.368 -7.666 633 1HD LYS 110 1HD LYS 110 -1.700 6.467 -9.400 634 2HD LYS 110 2HD LYS 110 -2.626 4.999 -9.712 635 1HE LYS 110 1HE LYS 110 -3.733 7.800 -9.573 636 2HE LYS 110 2HE LYS 110 -3.449 6.873 -11.045 637 1HZ LYS 110 1HZ LYS 110 -5.340 6.127 -8.885 638 2HZ LYS 110 2HZ LYS 110 -5.082 5.262 -10.320 639 3HZ LYS 110 3HZ LYS 110 -5.769 6.818 -10.371 640 H LYS 111 H LYS 111 -5.604 8.407 -5.115 641 HA LYS 111 HA LYS 111 -7.356 6.424 -4.554 642 1HB LYS 111 1HB LYS 111 -7.814 8.703 -4.196 643 2HB LYS 111 2HB LYS 111 -7.668 9.078 -5.900 644 1HG LYS 111 1HG LYS 111 -9.722 7.942 -6.397 645 2HG LYS 111 2HG LYS 111 -9.838 7.342 -4.739 646 1HD LYS 111 1HD LYS 111 -10.210 9.519 -3.882 647 2HD LYS 111 2HD LYS 111 -9.754 10.272 -5.410 648 1HE LYS 111 1HE LYS 111 -12.135 8.445 -5.124 649 2HE LYS 111 2HE LYS 111 -12.235 10.190 -4.887 650 1HZ LYS 111 1HZ LYS 111 -11.206 8.930 -7.372 651 2HZ LYS 111 2HZ LYS 111 -11.588 10.564 -7.129 652 3HZ LYS 111 3HZ LYS 111 -12.822 9.395 -7.163 653 H ALA 112 H ALA 112 -7.949 4.746 -5.624 654 HA ALA 112 HA ALA 112 -7.316 4.155 -8.272 655 1HB ALA 112 1HB ALA 112 -9.416 2.886 -6.517 656 2HB ALA 112 2HB ALA 112 -7.711 2.437 -6.593 657 3HB ALA 112 3HB ALA 112 -8.752 2.195 -7.997 658 H LEU 113 H LEU 113 -8.659 3.898 -10.113 659 HA LEU 113 HA LEU 113 -10.362 6.090 -10.592 660 1HB LEU 113 1HB LEU 113 -9.816 3.558 -12.114 661 2HB LEU 113 2HB LEU 113 -10.973 4.739 -12.690 662 HG LEU 113 HG LEU 113 -9.151 6.436 -12.749 663 1HD1 LEU 113 1HD1 LEU 113 -6.830 5.698 -12.633 664 2HD1 LEU 113 2HD1 LEU 113 -7.360 4.083 -12.165 665 3HD1 LEU 113 3HD1 LEU 113 -7.655 5.451 -11.094 666 1HD2 LEU 113 1HD2 LEU 113 -8.648 3.935 -14.351 667 2HD2 LEU 113 2HD2 LEU 113 -8.083 5.557 -14.753 668 3HD2 LEU 113 3HD2 LEU 113 -9.810 5.201 -14.746 669 H SER 114 H SER 114 -10.983 3.069 -9.137 670 HA SER 114 HA SER 114 -13.803 2.991 -9.623 671 1HB SER 114 1HB SER 114 -12.474 0.980 -9.002 672 2HB SER 114 2HB SER 114 -12.193 1.683 -7.411 673 HG SER 114 HG SER 114 -14.063 0.936 -6.827 674 H GLY 115 H GLY 115 -11.708 4.671 -7.442 675 1HA GLY 115 1HA GLY 115 -12.284 6.502 -6.108 676 2HA GLY 115 2HA GLY 115 -13.978 6.073 -6.284 677 H ASP 116 H ASP 116 -13.911 3.448 -5.442 678 HA ASP 116 HA ASP 116 -13.787 3.850 -2.580 679 1HB ASP 116 1HB ASP 116 -14.874 1.509 -2.621 680 2HB ASP 116 2HB ASP 116 -15.801 2.851 -3.282 681 H SER 117 H SER 117 -11.310 3.709 -3.841 682 HA SER 117 HA SER 117 -9.921 1.741 -2.358 683 1HB SER 117 1HB SER 117 -9.022 0.610 -4.541 684 2HB SER 117 2HB SER 117 -10.520 0.059 -3.800 685 HG SER 117 HG SER 117 -11.679 0.979 -5.376 686 H TYR 118 H TYR 118 -7.598 1.831 -2.732 687 HA TYR 118 HA TYR 118 -6.653 4.101 -4.345 688 1HB TYR 118 1HB TYR 118 -5.795 3.766 -1.463 689 2HB TYR 118 2HB TYR 118 -5.415 5.097 -2.552 690 HD1 TYR 118 HD1 TYR 118 -7.782 3.729 -0.226 691 HD2 TYR 118 HD2 TYR 118 -7.144 6.737 -3.140 692 HE1 TYR 118 HE1 TYR 118 -9.703 4.983 0.675 693 HE2 TYR 118 HE2 TYR 118 -9.065 8.010 -2.267 694 HH TYR 118 HH TYR 118 -11.151 7.557 -0.976 695 H TRP 119 H TRP 119 -4.496 3.902 -5.048 696 HA TRP 119 HA TRP 119 -3.476 1.178 -4.878 697 1HB TRP 119 1HB TRP 119 -2.749 3.557 -6.572 698 2HB TRP 119 2HB TRP 119 -1.896 2.006 -6.650 699 HD1 TRP 119 HD1 TRP 119 -5.544 3.282 -7.079 700 HE1 TRP 119 HE1 TRP 119 -6.593 1.934 -9.039 701 HE3 TRP 119 HE3 TRP 119 -1.626 0.207 -8.108 702 HZ2 TRP 119 HZ2 TRP 119 -5.811 -0.160 -10.774 703 HZ3 TRP 119 HZ3 TRP 119 -1.819 -1.414 -9.898 704 HH2 TRP 119 HH2 TRP 119 -3.871 -1.614 -11.227 705 H VAL 120 H VAL 120 -1.199 0.852 -4.750 706 HA VAL 120 HA VAL 120 0.358 2.882 -3.298 707 HB VAL 120 HB VAL 120 0.265 0.046 -2.794 708 1HG1 VAL 120 1HG1 VAL 120 2.492 0.985 -2.503 709 2HG1 VAL 120 2HG1 VAL 120 1.767 0.647 -0.931 710 3HG1 VAL 120 3HG1 VAL 120 1.830 2.303 -1.537 711 1HG2 VAL 120 1HG2 VAL 120 -0.644 0.702 -0.627 712 2HG2 VAL 120 2HG2 VAL 120 -1.720 1.139 -1.954 713 3HG2 VAL 120 3HG2 VAL 120 -0.732 2.376 -1.177 714 H PHE 121 H PHE 121 1.796 3.370 -4.916 715 HA PHE 121 HA PHE 121 3.218 1.124 -6.198 716 1HB PHE 121 1HB PHE 121 3.257 4.048 -6.953 717 2HB PHE 121 2HB PHE 121 4.004 2.735 -7.840 718 HD1 PHE 121 HD1 PHE 121 0.832 4.362 -6.983 719 HD2 PHE 121 HD2 PHE 121 2.724 1.339 -9.298 720 HE1 PHE 121 HE1 PHE 121 -1.225 4.092 -8.304 721 HE2 PHE 121 HE2 PHE 121 0.676 1.071 -10.629 722 HZ PHE 121 HZ PHE 121 -1.254 2.549 -10.225 723 H VAL 122 H VAL 122 4.912 0.613 -4.887 724 HA VAL 122 HA VAL 122 6.372 2.863 -3.700 725 HB VAL 122 HB VAL 122 5.500 1.369 -2.248 726 1HG1 VAL 122 1HG1 VAL 122 6.413 -0.897 -2.077 727 2HG1 VAL 122 2HG1 VAL 122 7.266 -0.661 -3.603 728 3HG1 VAL 122 3HG1 VAL 122 5.501 -0.663 -3.569 729 1HG2 VAL 122 1HG2 VAL 122 8.496 1.339 -2.430 730 2HG2 VAL 122 2HG2 VAL 122 7.549 0.961 -0.993 731 3HG2 VAL 122 3HG2 VAL 122 7.499 2.584 -1.678 732 H LYS 123 H LYS 123 8.439 3.240 -4.169 733 HA LYS 123 HA LYS 123 9.846 1.297 -5.841 734 1HB LYS 123 1HB LYS 123 9.886 4.304 -6.002 735 2HB LYS 123 2HB LYS 123 11.101 3.294 -6.770 736 1HG LYS 123 1HG LYS 123 9.186 2.171 -7.993 737 2HG LYS 123 2HG LYS 123 8.176 3.498 -7.409 738 1HD LYS 123 1HD LYS 123 9.561 5.116 -8.508 739 2HD LYS 123 2HD LYS 123 10.735 3.877 -8.954 740 1HE LYS 123 1HE LYS 123 8.862 2.772 -10.254 741 2HE LYS 123 2HE LYS 123 7.938 4.252 -9.997 742 1HZ LYS 123 1HZ LYS 123 9.702 5.498 -11.098 743 2HZ LYS 123 2HZ LYS 123 9.087 4.290 -12.120 744 3HZ LYS 123 3HZ LYS 123 10.576 4.067 -11.350 745 H ARG 124 H ARG 124 11.352 0.373 -4.614 746 HA ARG 124 HA ARG 124 12.722 2.062 -2.649 747 1HB ARG 124 1HB ARG 124 13.246 0.119 -1.398 748 2HB ARG 124 2HB ARG 124 11.566 -0.064 -1.874 749 1HG ARG 124 1HG ARG 124 12.348 -2.166 -2.295 750 2HG ARG 124 2HG ARG 124 12.615 -1.419 -3.870 751 1HD ARG 124 1HD ARG 124 14.952 -0.903 -3.137 752 2HD ARG 124 2HD ARG 124 14.650 -1.855 -1.686 753 HE ARG 124 HE ARG 124 14.050 -3.637 -3.548 754 1HH1 ARG 124 1HH1 ARG 124 16.736 -1.382 -3.402 755 2HH1 ARG 124 2HH1 ARG 124 17.826 -2.422 -4.268 756 1HH2 ARG 124 1HH2 ARG 124 15.470 -5.000 -4.705 757 2HH2 ARG 124 2HH2 ARG 124 17.102 -4.485 -5.018 758 H VAL 125 H VAL 125 14.932 2.199 -2.614 759 HA VAL 125 HA VAL 125 16.416 0.649 -4.582 760 HB VAL 125 HB VAL 125 16.075 2.562 -5.599 761 1HG1 VAL 125 1HG1 VAL 125 16.729 4.733 -4.710 762 2HG1 VAL 125 2HG1 VAL 125 17.123 3.988 -3.161 763 3HG1 VAL 125 3HG1 VAL 125 15.456 3.999 -3.735 764 1HG2 VAL 125 1HG2 VAL 125 18.250 1.587 -5.849 765 2HG2 VAL 125 2HG2 VAL 125 18.834 2.456 -4.428 766 3HG2 VAL 125 3HG2 VAL 125 18.365 3.347 -5.877 767 H2 HC4 169 H2 HC4 169 -3.090 -10.556 18.759 768 H3 HC4 169 H3 HC4 169 -4.885 -10.912 19.916 769 H2' HC4 169 H2' HC4 169 -6.796 -10.462 21.316 770 H3' HC4 169 H3' HC4 169 -8.084 -9.079 22.881 771 H5' HC4 169 H5' HC4 169 -5.403 -5.840 22.192 772 H6' HC4 169 H6' HC4 169 -4.071 -7.266 20.711 773 'HO4 HC4 169 'HO4 HC4 169 -7.795 -7.045 24.262 Start of MODEL 11 1 H LEU 26 H LEU 26 9.588 -12.195 -10.869 2 HA LEU 26 HA LEU 26 8.071 -10.367 -10.438 3 1HB LEU 26 1HB LEU 26 8.575 -12.187 -8.070 4 2HB LEU 26 2HB LEU 26 7.133 -11.216 -8.278 5 HG LEU 26 HG LEU 26 6.519 -13.389 -8.913 6 1HD1 LEU 26 1HD1 LEU 26 5.735 -11.682 -10.462 7 2HD1 LEU 26 2HD1 LEU 26 6.001 -13.221 -11.283 8 3HD1 LEU 26 3HD1 LEU 26 7.173 -11.916 -11.456 9 1HD2 LEU 26 1HD2 LEU 26 8.981 -13.525 -10.645 10 2HD2 LEU 26 2HD2 LEU 26 7.754 -14.780 -10.478 11 3HD2 LEU 26 3HD2 LEU 26 8.763 -14.342 -9.099 12 H ALA 27 H ALA 27 7.311 -8.857 -8.660 13 HA ALA 27 HA ALA 27 9.269 -7.913 -6.780 14 1HB ALA 27 1HB ALA 27 10.200 -6.947 -8.815 15 2HB ALA 27 2HB ALA 27 9.554 -5.685 -7.764 16 3HB ALA 27 3HB ALA 27 8.645 -6.201 -9.185 17 H PHE 28 H PHE 28 8.364 -6.607 -5.222 18 HA PHE 28 HA PHE 28 5.554 -6.030 -5.293 19 1HB PHE 28 1HB PHE 28 7.775 -5.583 -3.380 20 2HB PHE 28 2HB PHE 28 6.448 -4.430 -3.303 21 HD1 PHE 28 HD1 PHE 28 7.449 -7.904 -2.830 22 HD2 PHE 28 HD2 PHE 28 4.256 -5.109 -2.552 23 HE1 PHE 28 HE1 PHE 28 6.166 -9.511 -1.483 24 HE2 PHE 28 HE2 PHE 28 2.967 -6.710 -1.203 25 HZ PHE 28 HZ PHE 28 3.880 -8.878 -0.662 26 H GLY 29 H GLY 29 5.544 -4.922 -7.347 27 1HA GLY 29 1HA GLY 29 6.808 -2.302 -7.436 28 2HA GLY 29 2HA GLY 29 5.905 -3.071 -8.735 29 H ALA 30 H ALA 30 3.531 -3.325 -8.300 30 HA ALA 30 HA ALA 30 2.503 -0.993 -6.827 31 1HB ALA 30 1HB ALA 30 2.561 -0.483 -9.222 32 2HB ALA 30 2HB ALA 30 0.906 -0.584 -8.623 33 3HB ALA 30 3HB ALA 30 1.588 -1.917 -9.554 34 H ILE 31 H ILE 31 1.298 -1.767 -5.221 35 HA ILE 31 HA ILE 31 -0.630 -3.881 -5.901 36 HB ILE 31 HB ILE 31 0.821 -4.641 -4.444 37 1HG1 ILE 31 1HG1 ILE 31 -1.836 -3.981 -3.254 38 2HG1 ILE 31 2HG1 ILE 31 -1.367 -5.403 -4.180 39 1HG2 ILE 31 1HG2 ILE 31 1.103 -3.651 -2.199 40 2HG2 ILE 31 2HG2 ILE 31 0.190 -2.244 -2.744 41 3HG2 ILE 31 3HG2 ILE 31 1.743 -2.632 -3.488 42 1HD1 ILE 31 1HD1 ILE 31 -1.551 -5.911 -1.813 43 2HD1 ILE 31 2HD1 ILE 31 -0.341 -4.681 -1.448 44 3HD1 ILE 31 3HD1 ILE 31 0.106 -6.109 -2.381 45 H GLN 32 H GLN 32 -2.746 -3.577 -5.290 46 HA GLN 32 HA GLN 32 -3.309 -0.839 -4.376 47 1HB GLN 32 1HB GLN 32 -4.995 -0.532 -5.962 48 2HB GLN 32 2HB GLN 32 -3.683 -1.282 -6.850 49 1HG GLN 32 1HG GLN 32 -5.297 -2.580 -7.668 50 2HG GLN 32 2HG GLN 32 -5.118 -3.459 -6.150 51 1HE2 GLN 32 1HE2 GLN 32 -7.055 -1.175 -7.931 52 2HE2 GLN 32 2HE2 GLN 32 -8.442 -1.251 -6.905 53 H LEU 33 H LEU 33 -4.992 -0.497 -3.047 54 HA LEU 33 HA LEU 33 -6.461 -2.868 -2.097 55 1HB LEU 33 1HB LEU 33 -6.226 -2.006 0.223 56 2HB LEU 33 2HB LEU 33 -4.744 -2.603 -0.487 57 HG LEU 33 HG LEU 33 -4.254 -0.113 -1.023 58 1HD1 LEU 33 1HD1 LEU 33 -5.210 1.449 0.618 59 2HD1 LEU 33 2HD1 LEU 33 -6.311 0.182 1.157 60 3HD1 LEU 33 3HD1 LEU 33 -6.425 0.806 -0.489 61 1HD2 LEU 33 1HD2 LEU 33 -4.186 -1.167 1.797 62 2HD2 LEU 33 2HD2 LEU 33 -3.220 0.173 1.175 63 3HD2 LEU 33 3HD2 LEU 33 -2.980 -1.459 0.545 64 H ASP 34 H ASP 34 -8.398 -2.320 -0.883 65 HA ASP 34 HA ASP 34 -9.738 -0.157 -2.283 66 1HB ASP 34 1HB ASP 34 -11.821 -1.040 -1.464 67 2HB ASP 34 2HB ASP 34 -10.854 -2.354 -2.109 68 H GLY 35 H GLY 35 -11.142 1.313 -1.204 69 1HA GLY 35 1HA GLY 35 -9.752 2.636 0.936 70 2HA GLY 35 2HA GLY 35 -11.221 3.186 0.140 71 H ASP 36 H ASP 36 -11.205 -0.026 1.304 72 HA ASP 36 HA ASP 36 -12.965 0.750 3.510 73 1HB ASP 36 1HB ASP 36 -13.158 -1.275 1.590 74 2HB ASP 36 2HB ASP 36 -12.709 -2.110 3.076 75 H GLY 37 H GLY 37 -10.070 -1.129 2.691 76 1HA GLY 37 1HA GLY 37 -8.359 -0.460 4.541 77 2HA GLY 37 2HA GLY 37 -9.475 -1.338 5.567 78 H ASN 38 H ASN 38 -9.308 -2.812 2.499 79 HA ASN 38 HA ASN 38 -7.078 -4.497 3.390 80 1HB ASN 38 1HB ASN 38 -8.303 -6.559 2.764 81 2HB ASN 38 2HB ASN 38 -8.960 -5.732 4.165 82 1HD2 ASN 38 1HD2 ASN 38 -9.574 -4.563 0.941 83 2HD2 ASN 38 2HD2 ASN 38 -11.248 -4.988 0.912 84 H ILE 39 H ILE 39 -6.285 -5.975 1.783 85 HA ILE 39 HA ILE 39 -5.695 -4.458 -0.571 86 HB ILE 39 HB ILE 39 -4.958 -7.115 0.290 87 1HG1 ILE 39 1HG1 ILE 39 -3.514 -4.483 0.474 88 2HG1 ILE 39 2HG1 ILE 39 -4.407 -5.221 1.797 89 1HG2 ILE 39 1HG2 ILE 39 -3.106 -6.796 -1.307 90 2HG2 ILE 39 2HG2 ILE 39 -3.859 -5.304 -1.870 91 3HG2 ILE 39 3HG2 ILE 39 -4.671 -6.850 -2.120 92 1HD1 ILE 39 1HD1 ILE 39 -2.917 -7.125 1.764 93 2HD1 ILE 39 2HD1 ILE 39 -2.018 -5.622 1.972 94 3HD1 ILE 39 3HD1 ILE 39 -2.039 -6.429 0.404 95 H LEU 40 H LEU 40 -6.154 -4.963 -2.693 96 HA LEU 40 HA LEU 40 -8.231 -7.022 -3.056 97 1HB LEU 40 1HB LEU 40 -9.165 -4.779 -3.226 98 2HB LEU 40 2HB LEU 40 -7.976 -4.355 -4.443 99 HG LEU 40 HG LEU 40 -8.970 -6.074 -5.948 100 1HD1 LEU 40 1HD1 LEU 40 -11.091 -6.239 -3.810 101 2HD1 LEU 40 2HD1 LEU 40 -9.950 -7.514 -4.238 102 3HD1 LEU 40 3HD1 LEU 40 -11.164 -6.991 -5.405 103 1HD2 LEU 40 1HD2 LEU 40 -10.987 -4.778 -6.478 104 2HD2 LEU 40 2HD2 LEU 40 -9.600 -3.738 -6.160 105 3HD2 LEU 40 3HD2 LEU 40 -10.848 -3.943 -4.931 106 H GLN 41 H GLN 41 -5.800 -5.134 -4.905 107 HA GLN 41 HA GLN 41 -5.394 -7.550 -6.553 108 1HB GLN 41 1HB GLN 41 -5.500 -4.704 -7.568 109 2HB GLN 41 2HB GLN 41 -5.107 -6.119 -8.537 110 1HG GLN 41 1HG GLN 41 -7.332 -7.017 -8.144 111 2HG GLN 41 2HG GLN 41 -7.726 -5.618 -7.147 112 1HE2 GLN 41 1HE2 GLN 41 -9.014 -6.581 -9.562 113 2HE2 GLN 41 2HE2 GLN 41 -8.933 -5.282 -10.706 114 H TYR 42 H TYR 42 -3.337 -7.951 -7.286 115 HA TYR 42 HA TYR 42 -1.235 -6.122 -6.356 116 1HB TYR 42 1HB TYR 42 -1.350 -7.909 -4.708 117 2HB TYR 42 2HB TYR 42 -1.274 -9.128 -5.979 118 HD1 TYR 42 HD1 TYR 42 0.780 -10.004 -6.616 119 HD2 TYR 42 HD2 TYR 42 0.677 -6.305 -4.523 120 HE1 TYR 42 HE1 TYR 42 3.233 -10.047 -6.427 121 HE2 TYR 42 HE2 TYR 42 3.124 -6.335 -4.332 122 HH TYR 42 HH TYR 42 4.933 -8.276 -4.309 123 H ASN 43 H ASN 43 0.402 -5.804 -7.749 124 HA ASN 43 HA ASN 43 0.374 -7.355 -10.248 125 1HB ASN 43 1HB ASN 43 1.531 -4.621 -9.640 126 2HB ASN 43 2HB ASN 43 1.677 -5.447 -11.190 127 1HD2 ASN 43 1HD2 ASN 43 -0.496 -3.849 -8.983 128 2HD2 ASN 43 2HD2 ASN 43 -1.798 -3.638 -10.107 129 H ALA 44 H ALA 44 1.752 -8.979 -10.176 130 HA ALA 44 HA ALA 44 4.018 -8.910 -8.363 131 1HB ALA 44 1HB ALA 44 2.592 -10.893 -8.455 132 2HB ALA 44 2HB ALA 44 4.256 -11.274 -8.897 133 3HB ALA 44 3HB ALA 44 3.024 -11.126 -10.150 134 H ALA 45 H ALA 45 3.395 -8.893 -11.807 135 HA ALA 45 HA ALA 45 6.298 -8.681 -12.257 136 1HB ALA 45 1HB ALA 45 4.260 -9.834 -14.157 137 2HB ALA 45 2HB ALA 45 5.378 -10.769 -13.163 138 3HB ALA 45 3HB ALA 45 5.998 -9.712 -14.431 139 H GLU 46 H GLU 46 6.322 -6.440 -12.133 140 HA GLU 46 HA GLU 46 4.810 -5.011 -14.206 141 1HB GLU 46 1HB GLU 46 4.721 -4.225 -11.798 142 2HB GLU 46 2HB GLU 46 6.423 -3.813 -11.945 143 1HG GLU 46 1HG GLU 46 5.873 -2.253 -13.759 144 2HG GLU 46 2HG GLU 46 4.167 -2.648 -13.562 145 H GLY 47 H GLY 47 7.462 -6.664 -14.132 146 1HA GLY 47 1HA GLY 47 9.072 -6.611 -15.880 147 2HA GLY 47 2HA GLY 47 8.902 -4.862 -15.944 148 H ASP 48 H ASP 48 9.016 -4.754 -12.974 149 HA ASP 48 HA ASP 48 11.883 -4.482 -12.781 150 1HB ASP 48 1HB ASP 48 10.274 -2.797 -11.868 151 2HB ASP 48 2HB ASP 48 9.773 -3.987 -10.674 152 H ILE 49 H ILE 49 13.200 -5.492 -11.235 153 HA ILE 49 HA ILE 49 12.112 -8.003 -10.129 154 HB ILE 49 HB ILE 49 14.783 -7.505 -11.074 155 1HG1 ILE 49 1HG1 ILE 49 12.507 -9.012 -12.360 156 2HG1 ILE 49 2HG1 ILE 49 13.137 -7.463 -12.912 157 1HG2 ILE 49 1HG2 ILE 49 14.663 -9.159 -9.320 158 2HG2 ILE 49 2HG2 ILE 49 14.888 -9.974 -10.869 159 3HG2 ILE 49 3HG2 ILE 49 13.297 -9.946 -10.107 160 1HD1 ILE 49 1HD1 ILE 49 14.006 -9.275 -14.259 161 2HD1 ILE 49 2HD1 ILE 49 14.647 -10.065 -12.819 162 3HD1 ILE 49 3HD1 ILE 49 15.306 -8.514 -13.339 163 H THR 50 H THR 50 11.849 -7.186 -8.038 164 HA THR 50 HA THR 50 14.112 -6.073 -6.632 165 HB THR 50 HB THR 50 12.690 -6.492 -4.756 166 HG1 THR 50 HG1 THR 50 11.022 -7.706 -5.244 167 1HG2 THR 50 1HG2 THR 50 13.032 -4.326 -5.825 168 2HG2 THR 50 2HG2 THR 50 11.354 -4.538 -5.326 169 3HG2 THR 50 3HG2 THR 50 11.800 -4.721 -7.023 170 H GLY 51 H GLY 51 14.332 -7.248 -4.247 171 1HA GLY 51 1HA GLY 51 15.027 -10.034 -4.951 172 2HA GLY 51 2HA GLY 51 16.101 -8.994 -4.032 173 H ARG 52 H ARG 52 14.497 -7.898 -2.134 174 HA ARG 52 HA ARG 52 13.992 -10.294 -0.536 175 1HB ARG 52 1HB ARG 52 14.172 -8.754 1.413 176 2HB ARG 52 2HB ARG 52 15.616 -8.807 0.412 177 1HG ARG 52 1HG ARG 52 15.002 -6.702 -0.627 178 2HG ARG 52 2HG ARG 52 13.517 -6.651 0.325 179 1HD ARG 52 1HD ARG 52 14.938 -6.679 2.382 180 2HD ARG 52 2HD ARG 52 16.350 -6.510 1.338 181 HE ARG 52 HE ARG 52 14.635 -4.464 0.645 182 1HH1 ARG 52 1HH1 ARG 52 16.433 -5.491 3.462 183 2HH1 ARG 52 2HH1 ARG 52 16.479 -3.908 4.183 184 1HH2 ARG 52 1HH2 ARG 52 14.725 -2.376 1.534 185 2HH2 ARG 52 2HH2 ARG 52 15.521 -2.113 3.061 186 H ASP 53 H ASP 53 11.930 -10.483 -1.785 187 HA ASP 53 HA ASP 53 9.834 -8.659 -0.865 188 1HB ASP 53 1HB ASP 53 9.808 -10.812 -2.989 189 2HB ASP 53 2HB ASP 53 8.415 -9.830 -2.552 190 HA PRO 54 HA PRO 54 8.988 -11.841 2.210 191 1HB PRO 54 1HB PRO 54 7.109 -9.834 3.240 192 2HB PRO 54 2HB PRO 54 8.506 -10.573 4.028 193 1HG PRO 54 1HG PRO 54 8.528 -8.006 3.256 194 2HG PRO 54 2HG PRO 54 9.982 -9.018 3.168 195 1HD PRO 54 1HD PRO 54 8.072 -8.256 0.980 196 2HD PRO 54 2HD PRO 54 9.851 -8.276 0.962 197 H LYS 55 H LYS 55 6.638 -10.013 0.337 198 HA LYS 55 HA LYS 55 4.615 -10.551 -0.550 199 1HB LYS 55 1HB LYS 55 5.603 -13.354 -0.004 200 2HB LYS 55 2HB LYS 55 4.136 -12.996 -0.902 201 1HG LYS 55 1HG LYS 55 5.356 -11.962 -2.657 202 2HG LYS 55 2HG LYS 55 6.844 -11.968 -1.708 203 1HD LYS 55 1HD LYS 55 6.879 -13.731 -3.395 204 2HD LYS 55 2HD LYS 55 6.878 -14.411 -1.769 205 1HE LYS 55 1HE LYS 55 5.381 -15.668 -3.197 206 2HE LYS 55 2HE LYS 55 4.462 -14.819 -1.957 207 1HZ LYS 55 1HZ LYS 55 3.746 -13.219 -3.518 208 2HZ LYS 55 2HZ LYS 55 3.519 -14.728 -4.257 209 3HZ LYS 55 3HZ LYS 55 4.836 -13.756 -4.697 210 H GLN 56 H GLN 56 4.735 -9.895 2.205 211 HA GLN 56 HA GLN 56 2.900 -11.737 3.537 212 1HB GLN 56 1HB GLN 56 4.523 -9.397 4.521 213 2HB GLN 56 2HB GLN 56 3.336 -10.220 5.524 214 1HG GLN 56 1HG GLN 56 5.719 -11.537 4.239 215 2HG GLN 56 2HG GLN 56 5.633 -10.998 5.917 216 1HE2 GLN 56 1HE2 GLN 56 6.030 -13.687 4.824 217 2HE2 GLN 56 2HE2 GLN 56 4.752 -14.657 5.485 218 H VAL 57 H VAL 57 2.753 -8.836 1.792 219 HA VAL 57 HA VAL 57 0.270 -8.071 3.163 220 HB VAL 57 HB VAL 57 0.607 -5.983 2.019 221 1HG1 VAL 57 1HG1 VAL 57 1.958 -5.251 3.925 222 2HG1 VAL 57 2HG1 VAL 57 2.371 -6.928 4.278 223 3HG1 VAL 57 3HG1 VAL 57 0.701 -6.381 4.423 224 1HG2 VAL 57 1HG2 VAL 57 2.476 -6.759 0.572 225 2HG2 VAL 57 2HG2 VAL 57 3.462 -6.934 2.025 226 3HG2 VAL 57 3HG2 VAL 57 2.856 -5.348 1.557 227 H ILE 58 H ILE 58 -0.689 -9.735 1.808 228 HA ILE 58 HA ILE 58 -2.372 -8.503 -0.050 229 HB ILE 58 HB ILE 58 -0.455 -8.660 -1.338 230 1HG1 ILE 58 1HG1 ILE 58 -3.029 -9.063 -2.032 231 2HG1 ILE 58 2HG1 ILE 58 -1.706 -8.932 -3.180 232 1HG2 ILE 58 1HG2 ILE 58 -0.815 -11.631 -1.013 233 2HG2 ILE 58 2HG2 ILE 58 0.556 -10.665 -0.468 234 3HG2 ILE 58 3HG2 ILE 58 0.246 -10.857 -2.193 235 1HD1 ILE 58 1HD1 ILE 58 -1.558 -11.370 -3.277 236 2HD1 ILE 58 2HD1 ILE 58 -3.162 -10.789 -3.723 237 3HD1 ILE 58 3HD1 ILE 58 -2.892 -11.492 -2.129 238 H GLY 59 H GLY 59 -4.064 -9.929 -0.701 239 1HA GLY 59 1HA GLY 59 -5.414 -11.819 -0.430 240 2HA GLY 59 2HA GLY 59 -4.112 -12.591 0.476 241 H LYS 60 H LYS 60 -5.252 -9.369 1.092 242 HA LYS 60 HA LYS 60 -6.048 -10.218 3.786 243 1HB LYS 60 1HB LYS 60 -4.231 -8.631 3.760 244 2HB LYS 60 2HB LYS 60 -5.106 -7.583 2.653 245 1HG LYS 60 1HG LYS 60 -5.100 -6.685 4.908 246 2HG LYS 60 2HG LYS 60 -6.733 -7.083 4.385 247 1HD LYS 60 1HD LYS 60 -6.511 -7.787 6.650 248 2HD LYS 60 2HD LYS 60 -6.525 -9.235 5.647 249 1HE LYS 60 1HE LYS 60 -3.931 -7.979 6.440 250 2HE LYS 60 2HE LYS 60 -4.799 -9.000 7.583 251 1HZ LYS 60 1HZ LYS 60 -3.581 -9.743 4.998 252 2HZ LYS 60 2HZ LYS 60 -4.827 -10.682 5.663 253 3HZ LYS 60 3HZ LYS 60 -3.383 -10.459 6.521 254 H ASN 61 H ASN 61 -8.158 -10.176 4.274 255 HA ASN 61 HA ASN 61 -9.904 -8.212 3.021 256 1HB ASN 61 1HB ASN 61 -10.026 -10.101 1.483 257 2HB ASN 61 2HB ASN 61 -10.389 -11.188 2.817 258 1HD2 ASN 61 1HD2 ASN 61 -11.712 -7.944 2.293 259 2HD2 ASN 61 2HD2 ASN 61 -13.346 -8.470 2.083 260 H PHE 62 H PHE 62 -10.741 -7.269 4.730 261 HA PHE 62 HA PHE 62 -12.421 -8.851 6.493 262 1HB PHE 62 1HB PHE 62 -11.552 -7.891 8.555 263 2HB PHE 62 2HB PHE 62 -10.258 -8.725 7.705 264 HD1 PHE 62 HD1 PHE 62 -11.420 -5.593 9.048 265 HD2 PHE 62 HD2 PHE 62 -8.548 -7.389 6.474 266 HE1 PHE 62 HE1 PHE 62 -10.038 -3.562 9.181 267 HE2 PHE 62 HE2 PHE 62 -7.160 -5.363 6.600 268 HZ PHE 62 HZ PHE 62 -7.904 -3.445 7.956 269 H PHE 63 H PHE 63 -12.157 -6.491 4.422 270 HA PHE 63 HA PHE 63 -13.167 -4.576 3.878 271 1HB PHE 63 1HB PHE 63 -15.127 -5.472 5.992 272 2HB PHE 63 2HB PHE 63 -15.378 -4.050 4.979 273 HD1 PHE 63 HD1 PHE 63 -15.590 -7.627 5.203 274 HD2 PHE 63 HD2 PHE 63 -15.530 -4.348 2.492 275 HE1 PHE 63 HE1 PHE 63 -16.567 -9.058 3.456 276 HE2 PHE 63 HE2 PHE 63 -16.511 -5.771 0.742 277 HZ PHE 63 HZ PHE 63 -16.994 -8.128 1.202 278 H LYS 64 H LYS 64 -14.239 -4.075 7.191 279 HA LYS 64 HA LYS 64 -12.096 -2.126 7.560 280 1HB LYS 64 1HB LYS 64 -14.003 -0.933 6.509 281 2HB LYS 64 2HB LYS 64 -15.031 -1.442 7.842 282 1HG LYS 64 1HG LYS 64 -13.598 -0.192 9.400 283 2HG LYS 64 2HG LYS 64 -12.619 0.351 8.039 284 1HD LYS 64 1HD LYS 64 -15.576 0.876 8.268 285 2HD LYS 64 2HD LYS 64 -14.348 1.987 8.872 286 1HE LYS 64 1HE LYS 64 -14.941 2.791 6.739 287 2HE LYS 64 2HE LYS 64 -13.390 1.985 6.524 288 1HZ LYS 64 1HZ LYS 64 -14.500 0.087 5.588 289 2HZ LYS 64 2HZ LYS 64 -15.017 1.476 4.765 290 3HZ LYS 64 3HZ LYS 64 -16.023 0.750 5.920 291 H ASP 65 H ASP 65 -11.784 -1.494 9.758 292 HA ASP 65 HA ASP 65 -12.272 -3.538 11.642 293 1HB ASP 65 1HB ASP 65 -11.235 -2.090 13.271 294 2HB ASP 65 2HB ASP 65 -10.346 -1.952 11.760 295 H VAL 66 H VAL 66 -13.784 -3.754 13.207 296 HA VAL 66 HA VAL 66 -15.791 -1.630 13.460 297 HB VAL 66 HB VAL 66 -16.500 -3.378 12.157 298 1HG1 VAL 66 1HG1 VAL 66 -16.144 -5.045 14.636 299 2HG1 VAL 66 2HG1 VAL 66 -15.288 -5.232 13.105 300 3HG1 VAL 66 3HG1 VAL 66 -17.023 -5.538 13.189 301 1HG2 VAL 66 1HG2 VAL 66 -18.077 -2.024 13.337 302 2HG2 VAL 66 2HG2 VAL 66 -17.889 -3.006 14.790 303 3HG2 VAL 66 3HG2 VAL 66 -18.616 -3.703 13.343 304 H ALA 67 H ALA 67 -13.559 -1.850 14.980 305 HA ALA 67 HA ALA 67 -14.524 -1.999 17.640 306 1HB ALA 67 1HB ALA 67 -14.321 -4.416 17.277 307 2HB ALA 67 2HB ALA 67 -13.123 -3.854 18.444 308 3HB ALA 67 3HB ALA 67 -12.640 -4.208 16.785 309 HA PRO 68 HA PRO 68 -11.058 0.733 18.092 310 1HB PRO 68 1HB PRO 68 -10.489 0.407 20.746 311 2HB PRO 68 2HB PRO 68 -11.867 1.340 20.153 312 1HG PRO 68 1HG PRO 68 -11.779 -1.476 21.165 313 2HG PRO 68 2HG PRO 68 -12.965 -0.201 21.503 314 1HD PRO 68 1HD PRO 68 -13.453 -2.163 19.730 315 2HD PRO 68 2HD PRO 68 -14.058 -0.512 19.487 316 H CYS 69 H CYS 69 -10.807 -2.571 18.387 317 HA CYS 69 HA CYS 69 -8.173 -2.996 19.261 318 1HB CYS 69 1HB CYS 69 -9.735 -4.819 19.133 319 2HB CYS 69 2HB CYS 69 -9.988 -4.553 17.415 320 H THR 70 H THR 70 -9.520 -2.471 16.018 321 HA THR 70 HA THR 70 -6.791 -2.525 14.931 322 HB THR 70 HB THR 70 -9.236 -2.579 13.446 323 HG1 THR 70 HG1 THR 70 -7.801 -4.762 14.618 324 1HG2 THR 70 1HG2 THR 70 -7.837 -3.791 11.878 325 2HG2 THR 70 2HG2 THR 70 -6.468 -3.674 12.984 326 3HG2 THR 70 3HG2 THR 70 -7.129 -2.217 12.242 327 H ASP 71 H ASP 71 -6.199 -0.956 13.322 328 HA ASP 71 HA ASP 71 -7.935 1.209 12.628 329 1HB ASP 71 1HB ASP 71 -6.588 3.023 13.591 330 2HB ASP 71 2HB ASP 71 -7.267 2.002 14.850 331 H SER 72 H SER 72 -6.608 2.885 11.315 332 HA SER 72 HA SER 72 -5.295 1.347 9.282 333 1HB SER 72 1HB SER 72 -5.683 4.346 9.457 334 2HB SER 72 2HB SER 72 -5.298 3.417 8.009 335 HG SER 72 HG SER 72 -7.517 2.460 9.258 336 HA PRO 73 HA PRO 73 -1.186 2.471 10.762 337 1HB PRO 73 1HB PRO 73 0.072 0.324 9.833 338 2HB PRO 73 2HB PRO 73 -1.064 0.185 11.181 339 1HG PRO 73 1HG PRO 73 -1.397 -0.611 8.337 340 2HG PRO 73 2HG PRO 73 -2.102 -1.327 9.796 341 1HD PRO 73 1HD PRO 73 -3.317 0.540 8.009 342 2HD PRO 73 2HD PRO 73 -3.980 -0.091 9.530 343 H GLU 74 H GLU 74 1.056 2.201 9.527 344 HA GLU 74 HA GLU 74 2.459 2.890 7.900 345 1HB GLU 74 1HB GLU 74 0.281 1.853 6.077 346 2HB GLU 74 2HB GLU 74 1.922 2.240 5.576 347 1HG GLU 74 1HG GLU 74 1.161 0.126 7.581 348 2HG GLU 74 2HG GLU 74 1.589 -0.163 5.896 349 H PHE 75 H PHE 75 1.615 5.042 8.865 350 HA PHE 75 HA PHE 75 0.091 6.683 7.064 351 1HB PHE 75 1HB PHE 75 1.723 7.431 9.497 352 2HB PHE 75 2HB PHE 75 0.665 8.527 8.617 353 HD1 PHE 75 HD1 PHE 75 0.918 6.231 11.285 354 HD2 PHE 75 HD2 PHE 75 -1.818 7.831 8.447 355 HE1 PHE 75 HE1 PHE 75 -0.959 5.548 12.718 356 HE2 PHE 75 HE2 PHE 75 -3.701 7.151 9.876 357 HZ PHE 75 HZ PHE 75 -3.274 6.011 12.014 358 H TYR 76 H TYR 76 1.241 6.648 5.117 359 HA TYR 76 HA TYR 76 3.790 8.117 5.192 360 1HB TYR 76 1HB TYR 76 2.798 6.114 3.155 361 2HB TYR 76 2HB TYR 76 4.254 7.088 2.956 362 HD1 TYR 76 HD1 TYR 76 6.040 6.889 4.830 363 HD2 TYR 76 HD2 TYR 76 2.919 4.064 4.229 364 HE1 TYR 76 HE1 TYR 76 7.349 5.196 6.041 365 HE2 TYR 76 HE2 TYR 76 4.216 2.363 5.441 366 HH TYR 76 HH TYR 76 6.944 3.104 7.305 367 H GLY 77 H GLY 77 0.863 7.676 3.165 368 1HA GLY 77 1HA GLY 77 1.215 10.452 2.265 369 2HA GLY 77 2HA GLY 77 0.186 9.247 1.493 370 H LYS 78 H LYS 78 0.442 9.936 4.913 371 HA LYS 78 HA LYS 78 -1.107 10.406 6.509 372 1HB LYS 78 1HB LYS 78 -2.492 12.042 4.373 373 2HB LYS 78 2HB LYS 78 -2.573 12.274 6.114 374 1HG LYS 78 1HG LYS 78 -0.121 12.663 4.406 375 2HG LYS 78 2HG LYS 78 -1.159 13.945 5.025 376 1HD LYS 78 1HD LYS 78 0.267 11.975 6.798 377 2HD LYS 78 2HD LYS 78 0.956 13.530 6.328 378 1HE LYS 78 1HE LYS 78 -0.980 14.670 7.326 379 2HE LYS 78 2HE LYS 78 -1.629 13.106 7.824 380 1HZ LYS 78 1HZ LYS 78 -0.392 14.323 9.587 381 2HZ LYS 78 2HZ LYS 78 1.021 14.137 8.671 382 3HZ LYS 78 3HZ LYS 78 0.212 12.771 9.266 383 H PHE 79 H PHE 79 -1.497 7.994 5.509 384 HA PHE 79 HA PHE 79 -3.439 7.370 3.726 385 1HB PHE 79 1HB PHE 79 -1.808 5.784 4.700 386 2HB PHE 79 2HB PHE 79 -2.776 5.726 6.170 387 HD1 PHE 79 HD1 PHE 79 -4.665 4.321 6.326 388 HD2 PHE 79 HD2 PHE 79 -2.787 4.953 2.560 389 HE1 PHE 79 HE1 PHE 79 -6.026 2.516 5.347 390 HE2 PHE 79 HE2 PHE 79 -4.141 3.153 1.575 391 HZ PHE 79 HZ PHE 79 -5.766 1.932 2.967 392 H LYS 80 H LYS 80 -3.988 7.935 7.196 393 HA LYS 80 HA LYS 80 -6.637 6.874 7.168 394 1HB LYS 80 1HB LYS 80 -5.408 6.940 9.256 395 2HB LYS 80 2HB LYS 80 -5.263 8.690 9.155 396 1HG LYS 80 1HG LYS 80 -6.970 8.030 10.757 397 2HG LYS 80 2HG LYS 80 -7.672 8.923 9.405 398 1HD LYS 80 1HD LYS 80 -8.249 6.709 8.371 399 2HD LYS 80 2HD LYS 80 -7.741 5.945 9.879 400 1HE LYS 80 1HE LYS 80 -9.907 8.031 9.625 401 2HE LYS 80 2HE LYS 80 -10.180 6.296 9.760 402 1HZ LYS 80 1HZ LYS 80 -9.134 6.323 11.928 403 2HZ LYS 80 2HZ LYS 80 -10.436 7.414 11.883 404 3HZ LYS 80 3HZ LYS 80 -8.844 7.992 11.802 405 H GLU 81 H GLU 81 -5.230 10.036 6.748 406 HA GLU 81 HA GLU 81 -7.799 11.364 6.646 407 1HB GLU 81 1HB GLU 81 -5.692 12.431 7.535 408 2HB GLU 81 2HB GLU 81 -5.067 12.425 5.893 409 1HG GLU 81 1HG GLU 81 -6.909 13.871 5.191 410 2HG GLU 81 2HG GLU 81 -7.515 13.891 6.848 411 H GLY 82 H GLY 82 -5.426 10.007 4.515 412 1HA GLY 82 1HA GLY 82 -6.074 11.120 2.091 413 2HA GLY 82 2HA GLY 82 -5.419 9.522 2.323 414 H VAL 83 H VAL 83 -7.373 8.345 3.754 415 HA VAL 83 HA VAL 83 -9.125 7.459 1.731 416 HB VAL 83 HB VAL 83 -9.283 7.277 4.593 417 1HG1 VAL 83 1HG1 VAL 83 -10.668 5.752 2.381 418 2HG1 VAL 83 2HG1 VAL 83 -11.438 6.790 3.581 419 3HG1 VAL 83 3HG1 VAL 83 -10.666 5.286 4.082 420 1HG2 VAL 83 1HG2 VAL 83 -8.101 5.469 2.503 421 2HG2 VAL 83 2HG2 VAL 83 -8.248 5.106 4.222 422 3HG2 VAL 83 3HG2 VAL 83 -7.206 6.423 3.685 423 H ALA 84 H ALA 84 -9.688 9.517 4.578 424 HA ALA 84 HA ALA 84 -12.497 9.667 3.972 425 1HB ALA 84 1HB ALA 84 -12.690 10.939 6.041 426 2HB ALA 84 2HB ALA 84 -10.932 11.021 6.165 427 3HB ALA 84 3HB ALA 84 -11.755 9.466 6.293 428 H SER 85 H SER 85 -9.690 11.641 3.546 429 HA SER 85 HA SER 85 -11.070 14.058 2.969 430 1HB SER 85 1HB SER 85 -8.593 13.873 3.426 431 2HB SER 85 2HB SER 85 -8.409 13.191 1.812 432 HG SER 85 HG SER 85 -9.703 15.290 1.291 433 H GLY 86 H GLY 86 -10.467 11.143 1.204 434 1HA GLY 86 1HA GLY 86 -11.710 10.385 -0.609 435 2HA GLY 86 2HA GLY 86 -12.381 11.998 -0.791 436 H ASN 87 H ASN 87 -9.008 12.006 -0.545 437 HA ASN 87 HA ASN 87 -8.579 11.697 -3.378 438 1HB ASN 87 1HB ASN 87 -7.483 13.958 -3.612 439 2HB ASN 87 2HB ASN 87 -9.234 13.982 -3.470 440 1HD2 ASN 87 1HD2 ASN 87 -10.172 14.967 -1.762 441 2HD2 ASN 87 2HD2 ASN 87 -9.299 15.900 -0.587 442 H LEU 88 H LEU 88 -7.616 10.112 -1.525 443 HA LEU 88 HA LEU 88 -4.981 10.737 -0.719 444 1HB LEU 88 1HB LEU 88 -6.679 8.751 -0.123 445 2HB LEU 88 2HB LEU 88 -5.666 7.925 -1.296 446 HG LEU 88 HG LEU 88 -4.719 9.348 1.142 447 1HD1 LEU 88 1HD1 LEU 88 -5.944 7.329 1.720 448 2HD1 LEU 88 2HD1 LEU 88 -4.220 7.095 2.014 449 3HD1 LEU 88 3HD1 LEU 88 -4.975 6.395 0.581 450 1HD2 LEU 88 1HD2 LEU 88 -3.201 7.631 -0.810 451 2HD2 LEU 88 2HD2 LEU 88 -2.552 8.296 0.691 452 3HD2 LEU 88 3HD2 LEU 88 -3.046 9.377 -0.612 453 H ASN 89 H ASN 89 -4.018 11.636 -2.635 454 HA ASN 89 HA ASN 89 -2.694 9.453 -4.015 455 1HB ASN 89 1HB ASN 89 -2.935 10.317 -6.218 456 2HB ASN 89 2HB ASN 89 -4.547 10.321 -5.523 457 1HD2 ASN 89 1HD2 ASN 89 -5.561 12.293 -5.089 458 2HD2 ASN 89 2HD2 ASN 89 -4.977 13.783 -5.745 459 H THR 90 H THR 90 -0.738 9.683 -3.086 460 HA THR 90 HA THR 90 0.553 12.306 -3.339 461 HB THR 90 HB THR 90 1.483 11.804 -1.162 462 HG1 THR 90 HG1 THR 90 -0.757 10.828 -0.172 463 1HG2 THR 90 1HG2 THR 90 -0.323 13.075 -0.124 464 2HG2 THR 90 2HG2 THR 90 -1.343 12.769 -1.530 465 3HG2 THR 90 3HG2 THR 90 0.121 13.739 -1.696 466 H MET 91 H MET 91 2.799 12.243 -3.306 467 HA MET 91 HA MET 91 3.953 9.541 -3.276 468 1HB MET 91 1HB MET 91 5.665 10.285 -4.863 469 2HB MET 91 2HB MET 91 4.053 10.406 -5.543 470 1HG MET 91 1HG MET 91 4.067 12.819 -5.103 471 2HG MET 91 2HG MET 91 5.706 12.675 -4.464 472 1HE MET 91 1HE MET 91 6.791 10.375 -6.529 473 2HE MET 91 2HE MET 91 7.756 11.735 -5.957 474 3HE MET 91 3HE MET 91 7.629 11.410 -7.687 475 H PHE 92 H PHE 92 5.152 9.204 -1.636 476 HA PHE 92 HA PHE 92 6.576 11.448 -0.376 477 1HB PHE 92 1HB PHE 92 4.737 10.676 1.047 478 2HB PHE 92 2HB PHE 92 5.319 9.020 0.938 479 HD1 PHE 92 HD1 PHE 92 6.172 12.391 2.205 480 HD2 PHE 92 HD2 PHE 92 6.928 8.209 2.434 481 HE1 PHE 92 HE1 PHE 92 7.549 12.752 4.211 482 HE2 PHE 92 HE2 PHE 92 8.301 8.563 4.443 483 HZ PHE 92 HZ PHE 92 8.609 10.820 5.341 484 H GLU 93 H GLU 93 8.705 11.241 -0.436 485 HA GLU 93 HA GLU 93 9.802 8.640 -1.173 486 1HB GLU 93 1HB GLU 93 11.077 11.388 -1.044 487 2HB GLU 93 2HB GLU 93 11.911 9.923 -1.552 488 1HG GLU 93 1HG GLU 93 10.438 9.683 -3.437 489 2HG GLU 93 2HG GLU 93 9.461 11.045 -2.892 490 H TYR 94 H TYR 94 11.012 7.426 0.161 491 HA TYR 94 HA TYR 94 11.103 8.369 2.947 492 1HB TYR 94 1HB TYR 94 9.591 6.443 2.435 493 2HB TYR 94 2HB TYR 94 11.001 5.517 1.936 494 HD1 TYR 94 HD1 TYR 94 12.172 4.249 3.504 495 HD2 TYR 94 HD2 TYR 94 9.586 7.350 4.852 496 HE1 TYR 94 HE1 TYR 94 12.509 3.515 5.827 497 HE2 TYR 94 HE2 TYR 94 9.916 6.622 7.176 498 HH TYR 94 HH TYR 94 12.369 4.425 8.078 499 H THR 95 H THR 95 13.001 8.657 3.843 500 HA THR 95 HA THR 95 15.377 7.939 2.385 501 HB THR 95 HB THR 95 15.068 9.964 3.415 502 HG1 THR 95 HG1 THR 95 17.256 8.925 4.752 503 1HG2 THR 95 1HG2 THR 95 13.915 9.357 5.435 504 2HG2 THR 95 2HG2 THR 95 15.449 10.126 5.845 505 3HG2 THR 95 3HG2 THR 95 15.282 8.374 5.963 506 H PHE 96 H PHE 96 17.119 6.780 3.209 507 HA PHE 96 HA PHE 96 16.334 4.329 4.442 508 1HB PHE 96 1HB PHE 96 18.992 4.066 4.280 509 2HB PHE 96 2HB PHE 96 17.940 3.884 2.879 510 HD1 PHE 96 HD1 PHE 96 20.242 6.198 4.612 511 HD2 PHE 96 HD2 PHE 96 18.016 5.402 1.076 512 HE1 PHE 96 HE1 PHE 96 21.442 8.004 3.453 513 HE2 PHE 96 HE2 PHE 96 19.204 7.207 -0.089 514 HZ PHE 96 HZ PHE 96 20.926 8.512 1.100 515 H ASP 97 H ASP 97 16.088 4.103 6.567 516 HA ASP 97 HA ASP 97 17.380 5.749 8.509 517 1HB ASP 97 1HB ASP 97 16.073 3.045 8.927 518 2HB ASP 97 2HB ASP 97 16.411 4.246 10.167 519 H TYR 98 H TYR 98 17.904 2.526 7.242 520 HA TYR 98 HA TYR 98 20.233 2.112 8.936 521 1HB TYR 98 1HB TYR 98 20.190 -0.172 7.714 522 2HB TYR 98 2HB TYR 98 18.927 0.176 8.889 523 HD1 TYR 98 HD1 TYR 98 19.698 -0.224 5.325 524 HD2 TYR 98 HD2 TYR 98 16.624 0.497 8.177 525 HE1 TYR 98 HE1 TYR 98 18.007 -0.697 3.608 526 HE2 TYR 98 HE2 TYR 98 14.922 0.028 6.464 527 HH TYR 98 HH TYR 98 15.683 -1.391 3.446 528 H GLN 99 H GLN 99 22.300 1.746 8.164 529 HA GLN 99 HA GLN 99 22.813 2.898 5.514 530 1HB GLN 99 1HB GLN 99 23.935 3.776 7.614 531 2HB GLN 99 2HB GLN 99 24.832 2.266 7.671 532 1HG GLN 99 1HG GLN 99 25.873 2.745 5.555 533 2HG GLN 99 2HG GLN 99 24.882 4.190 5.356 534 1HE2 GLN 99 1HE2 GLN 99 27.794 3.909 5.426 535 2HE2 GLN 99 2HE2 GLN 99 28.332 4.928 6.714 536 H MET 100 H MET 100 21.864 0.120 6.062 537 HA MET 100 HA MET 100 23.844 -1.760 5.436 538 1HB MET 100 1HB MET 100 21.656 -2.497 6.124 539 2HB MET 100 2HB MET 100 20.896 -1.680 4.767 540 1HG MET 100 1HG MET 100 22.199 -3.224 3.260 541 2HG MET 100 2HG MET 100 22.631 -4.130 4.708 542 1HE MET 100 1HE MET 100 21.125 -5.312 2.110 543 2HE MET 100 2HE MET 100 19.939 -6.362 2.883 544 3HE MET 100 3HE MET 100 21.589 -6.301 3.498 545 H THR 101 H THR 101 21.487 -0.275 3.242 546 HA THR 101 HA THR 101 23.508 -0.015 1.180 547 HB THR 101 HB THR 101 22.587 -2.099 0.946 548 HG1 THR 101 HG1 THR 101 23.180 -1.312 -0.972 549 1HG2 THR 101 1HG2 THR 101 20.389 -1.758 1.897 550 2HG2 THR 101 2HG2 THR 101 20.270 -2.369 0.246 551 3HG2 THR 101 3HG2 THR 101 19.971 -0.663 0.580 552 HA PRO 102 HA PRO 102 21.339 3.817 0.485 553 1HB PRO 102 1HB PRO 102 21.809 3.339 -2.414 554 2HB PRO 102 2HB PRO 102 22.230 4.738 -1.419 555 1HG PRO 102 1HG PRO 102 24.108 3.020 -2.197 556 2HG PRO 102 2HG PRO 102 24.140 3.726 -0.569 557 1HD PRO 102 1HD PRO 102 23.275 0.994 -1.436 558 2HD PRO 102 2HD PRO 102 24.190 1.483 0.006 559 H THR 103 H THR 103 19.286 2.973 1.078 560 HA THR 103 HA THR 103 17.613 2.022 -1.144 561 HB THR 103 HB THR 103 16.985 2.120 1.653 562 HG1 THR 103 HG1 THR 103 19.002 0.942 1.095 563 1HG2 THR 103 1HG2 THR 103 15.495 0.298 0.999 564 2HG2 THR 103 2HG2 THR 103 16.017 0.469 -0.678 565 3HG2 THR 103 3HG2 THR 103 15.133 1.776 0.109 566 H LYS 104 H LYS 104 17.035 3.928 -2.093 567 HA LYS 104 HA LYS 104 15.504 5.815 -0.440 568 1HB LYS 104 1HB LYS 104 17.359 6.904 -1.556 569 2HB LYS 104 2HB LYS 104 16.888 6.207 -3.099 570 1HG LYS 104 1HG LYS 104 14.750 7.483 -2.939 571 2HG LYS 104 2HG LYS 104 15.409 8.293 -1.516 572 1HD LYS 104 1HD LYS 104 17.151 9.291 -2.776 573 2HD LYS 104 2HD LYS 104 16.820 8.269 -4.176 574 1HE LYS 104 1HE LYS 104 15.957 10.470 -4.595 575 2HE LYS 104 2HE LYS 104 14.608 9.355 -4.392 576 1HZ LYS 104 1HZ LYS 104 13.941 11.099 -3.111 577 2HZ LYS 104 2HZ LYS 104 15.511 11.527 -2.639 578 3HZ LYS 104 3HZ LYS 104 14.753 10.185 -1.930 579 H VAL 105 H VAL 105 13.459 5.108 -0.502 580 HA VAL 105 HA VAL 105 12.383 4.262 -3.085 581 HB VAL 105 HB VAL 105 10.633 3.368 -1.912 582 1HG1 VAL 105 1HG1 VAL 105 11.968 1.471 -1.066 583 2HG1 VAL 105 2HG1 VAL 105 13.420 2.461 -1.213 584 3HG1 VAL 105 3HG1 VAL 105 12.501 2.027 -2.653 585 1HG2 VAL 105 1HG2 VAL 105 12.281 4.047 0.510 586 2HG2 VAL 105 2HG2 VAL 105 10.863 2.997 0.485 587 3HG2 VAL 105 3HG2 VAL 105 10.699 4.711 0.101 588 H LYS 106 H LYS 106 10.185 4.810 -3.557 589 HA LYS 106 HA LYS 106 9.169 7.166 -2.153 590 1HB LYS 106 1HB LYS 106 8.689 8.337 -4.231 591 2HB LYS 106 2HB LYS 106 10.409 7.998 -4.128 592 1HG LYS 106 1HG LYS 106 10.174 6.159 -5.686 593 2HG LYS 106 2HG LYS 106 8.427 6.396 -5.737 594 1HD LYS 106 1HD LYS 106 9.336 7.414 -7.687 595 2HD LYS 106 2HD LYS 106 8.865 8.715 -6.592 596 1HE LYS 106 1HE LYS 106 11.209 8.875 -5.836 597 2HE LYS 106 2HE LYS 106 11.649 7.638 -7.012 598 1HZ LYS 106 1HZ LYS 106 12.129 9.633 -8.066 599 2HZ LYS 106 2HZ LYS 106 10.728 10.401 -7.503 600 3HZ LYS 106 3HZ LYS 106 10.616 9.214 -8.711 601 H VAL 107 H VAL 107 7.095 6.925 -1.673 602 HA VAL 107 HA VAL 107 5.633 4.794 -3.061 603 HB VAL 107 HB VAL 107 3.827 5.547 -1.592 604 1HG1 VAL 107 1HG1 VAL 107 4.712 3.941 0.072 605 2HG1 VAL 107 2HG1 VAL 107 6.301 4.042 -0.685 606 3HG1 VAL 107 3HG1 VAL 107 4.941 3.369 -1.582 607 1HG2 VAL 107 1HG2 VAL 107 6.217 6.488 -0.021 608 2HG2 VAL 107 2HG2 VAL 107 4.546 6.384 0.531 609 3HG2 VAL 107 3HG2 VAL 107 4.990 7.536 -0.729 610 H HIS 108 H HIS 108 3.888 5.106 -4.312 611 HA HIS 108 HA HIS 108 2.690 7.775 -4.162 612 1HB HIS 108 1HB HIS 108 3.981 7.445 -6.326 613 2HB HIS 108 2HB HIS 108 2.835 6.169 -6.725 614 HD1 HIS 108 HD1 HIS 108 1.918 7.463 -8.771 615 HD2 HIS 108 HD2 HIS 108 1.521 9.505 -5.172 616 HE1 HIS 108 HE1 HIS 108 0.375 9.386 -9.251 617 HE2 HIS 108 HE2 HIS 108 0.340 10.736 -7.120 618 H MET 109 H MET 109 1.031 7.315 -2.967 619 HA MET 109 HA MET 109 -0.577 4.956 -3.608 620 1HB MET 109 1HB MET 109 -1.724 5.568 -1.385 621 2HB MET 109 2HB MET 109 -0.109 4.888 -1.308 622 1HG MET 109 1HG MET 109 0.790 7.185 -1.061 623 2HG MET 109 2HG MET 109 -0.870 7.782 -1.006 624 1HE MET 109 1HE MET 109 1.812 5.505 0.789 625 2HE MET 109 2HE MET 109 0.466 4.412 0.474 626 3HE MET 109 3HE MET 109 0.863 4.866 2.131 627 H LYS 110 H LYS 110 -2.555 5.216 -4.535 628 HA LYS 110 HA LYS 110 -3.392 7.985 -4.949 629 1HB LYS 110 1HB LYS 110 -3.477 7.577 -7.422 630 2HB LYS 110 2HB LYS 110 -1.854 7.653 -6.753 631 1HG LYS 110 1HG LYS 110 -1.737 5.202 -6.764 632 2HG LYS 110 2HG LYS 110 -3.358 5.137 -7.456 633 1HD LYS 110 1HD LYS 110 -0.964 6.448 -8.740 634 2HD LYS 110 2HD LYS 110 -1.591 4.849 -9.145 635 1HE LYS 110 1HE LYS 110 -3.735 5.888 -9.783 636 2HE LYS 110 2HE LYS 110 -3.042 7.476 -9.448 637 1HZ LYS 110 1HZ LYS 110 -2.180 5.543 -11.528 638 2HZ LYS 110 2HZ LYS 110 -1.313 6.939 -11.127 639 3HZ LYS 110 3HZ LYS 110 -2.874 7.073 -11.775 640 H LYS 111 H LYS 111 -5.495 8.200 -4.951 641 HA LYS 111 HA LYS 111 -7.310 6.214 -4.532 642 1HB LYS 111 1HB LYS 111 -7.689 8.525 -4.104 643 2HB LYS 111 2HB LYS 111 -7.527 8.924 -5.804 644 1HG LYS 111 1HG LYS 111 -9.588 7.674 -6.282 645 2HG LYS 111 2HG LYS 111 -9.758 7.327 -4.557 646 1HD LYS 111 1HD LYS 111 -9.934 9.682 -4.060 647 2HD LYS 111 2HD LYS 111 -9.636 10.091 -5.751 648 1HE LYS 111 1HE LYS 111 -12.019 10.232 -5.186 649 2HE LYS 111 2HE LYS 111 -11.709 8.985 -6.391 650 1HZ LYS 111 1HZ LYS 111 -13.257 8.237 -4.677 651 2HZ LYS 111 2HZ LYS 111 -12.080 8.495 -3.489 652 3HZ LYS 111 3HZ LYS 111 -11.837 7.311 -4.672 653 H ALA 112 H ALA 112 -7.867 4.588 -5.718 654 HA ALA 112 HA ALA 112 -7.176 4.171 -8.387 655 1HB ALA 112 1HB ALA 112 -8.592 2.190 -8.253 656 2HB ALA 112 2HB ALA 112 -9.314 2.795 -6.761 657 3HB ALA 112 3HB ALA 112 -7.605 2.362 -6.803 658 H LEU 113 H LEU 113 -8.464 4.147 -10.280 659 HA LEU 113 HA LEU 113 -10.301 6.315 -10.448 660 1HB LEU 113 1HB LEU 113 -9.459 4.217 -12.441 661 2HB LEU 113 2HB LEU 113 -10.608 5.483 -12.824 662 HG LEU 113 HG LEU 113 -8.517 6.165 -13.693 663 1HD1 LEU 113 1HD1 LEU 113 -8.049 8.223 -12.462 664 2HD1 LEU 113 2HD1 LEU 113 -8.989 7.617 -11.098 665 3HD1 LEU 113 3HD1 LEU 113 -9.780 7.940 -12.642 666 1HD2 LEU 113 1HD2 LEU 113 -7.058 4.681 -12.436 667 2HD2 LEU 113 2HD2 LEU 113 -7.315 5.640 -10.979 668 3HD2 LEU 113 3HD2 LEU 113 -6.478 6.344 -12.363 669 H SER 114 H SER 114 -10.757 3.247 -9.327 670 HA SER 114 HA SER 114 -13.386 2.804 -10.429 671 1HB SER 114 1HB SER 114 -13.297 0.911 -8.634 672 2HB SER 114 2HB SER 114 -12.258 0.803 -10.056 673 HG SER 114 HG SER 114 -11.436 0.617 -7.659 674 H GLY 115 H GLY 115 -12.046 4.480 -7.733 675 1HA GLY 115 1HA GLY 115 -13.781 6.091 -6.859 676 2HA GLY 115 2HA GLY 115 -14.750 4.661 -6.548 677 H ASP 116 H ASP 116 -14.578 3.693 -4.613 678 HA ASP 116 HA ASP 116 -12.838 4.987 -2.697 679 1HB ASP 116 1HB ASP 116 -14.101 3.814 -0.979 680 2HB ASP 116 2HB ASP 116 -15.184 4.632 -2.093 681 H SER 117 H SER 117 -11.026 4.058 -3.928 682 HA SER 117 HA SER 117 -9.887 1.976 -2.332 683 1HB SER 117 1HB SER 117 -9.112 0.782 -4.497 684 2HB SER 117 2HB SER 117 -10.703 0.424 -3.836 685 HG SER 117 HG SER 117 -11.560 1.942 -5.335 686 H TYR 118 H TYR 118 -7.580 1.870 -2.642 687 HA TYR 118 HA TYR 118 -6.457 4.145 -4.112 688 1HB TYR 118 1HB TYR 118 -5.850 3.679 -1.178 689 2HB TYR 118 2HB TYR 118 -5.258 4.996 -2.195 690 HD1 TYR 118 HD1 TYR 118 -7.969 3.772 -0.164 691 HD2 TYR 118 HD2 TYR 118 -6.798 6.761 -2.929 692 HE1 TYR 118 HE1 TYR 118 -9.870 5.161 0.556 693 HE2 TYR 118 HE2 TYR 118 -8.700 8.173 -2.226 694 HH TYR 118 HH TYR 118 -10.926 7.885 -1.134 695 H TRP 119 H TRP 119 -4.449 3.750 -4.941 696 HA TRP 119 HA TRP 119 -3.467 1.039 -4.669 697 1HB TRP 119 1HB TRP 119 -2.607 3.383 -6.364 698 2HB TRP 119 2HB TRP 119 -1.827 1.792 -6.406 699 HD1 TRP 119 HD1 TRP 119 -5.417 3.233 -7.001 700 HE1 TRP 119 HE1 TRP 119 -6.421 1.929 -9.001 701 HE3 TRP 119 HE3 TRP 119 -1.561 0.021 -7.901 702 HZ2 TRP 119 HZ2 TRP 119 -5.653 -0.177 -10.723 703 HZ3 TRP 119 HZ3 TRP 119 -1.751 -1.582 -9.710 704 HH2 TRP 119 HH2 TRP 119 -3.755 -1.696 -11.114 705 H VAL 120 H VAL 120 -1.221 0.652 -4.341 706 HA VAL 120 HA VAL 120 0.339 2.748 -3.011 707 HB VAL 120 HB VAL 120 0.021 0.025 -2.127 708 1HG1 VAL 120 1HG1 VAL 120 1.616 2.345 -1.035 709 2HG1 VAL 120 2HG1 VAL 120 2.279 0.901 -1.802 710 3HG1 VAL 120 3HG1 VAL 120 1.430 0.769 -0.262 711 1HG2 VAL 120 1HG2 VAL 120 -0.981 1.020 -0.134 712 2HG2 VAL 120 2HG2 VAL 120 -1.948 1.310 -1.578 713 3HG2 VAL 120 3HG2 VAL 120 -0.945 2.601 -0.917 714 H PHE 121 H PHE 121 1.704 2.852 -4.832 715 HA PHE 121 HA PHE 121 3.275 0.404 -5.197 716 1HB PHE 121 1HB PHE 121 3.530 0.827 -7.470 717 2HB PHE 121 2HB PHE 121 1.854 1.206 -7.121 718 HD1 PHE 121 HD1 PHE 121 0.952 3.303 -7.565 719 HD2 PHE 121 HD2 PHE 121 5.152 2.695 -7.853 720 HE1 PHE 121 HE1 PHE 121 1.175 5.455 -8.730 721 HE2 PHE 121 HE2 PHE 121 5.390 4.856 -9.010 722 HZ PHE 121 HZ PHE 121 3.402 6.235 -9.457 723 H VAL 122 H VAL 122 5.472 0.542 -5.239 724 HA VAL 122 HA VAL 122 6.595 3.104 -4.323 725 HB VAL 122 HB VAL 122 6.226 1.565 -2.642 726 1HG1 VAL 122 1HG1 VAL 122 7.707 -0.397 -2.490 727 2HG1 VAL 122 2HG1 VAL 122 8.204 -0.121 -4.160 728 3HG1 VAL 122 3HG1 VAL 122 6.526 -0.522 -3.794 729 1HG2 VAL 122 1HG2 VAL 122 8.462 1.739 -1.682 730 2HG2 VAL 122 2HG2 VAL 122 7.923 3.248 -2.420 731 3HG2 VAL 122 3HG2 VAL 122 9.088 2.223 -3.258 732 H LYS 123 H LYS 123 8.805 3.465 -4.836 733 HA LYS 123 HA LYS 123 10.009 1.658 -6.777 734 1HB LYS 123 1HB LYS 123 8.569 3.850 -7.633 735 2HB LYS 123 2HB LYS 123 10.217 4.464 -7.586 736 1HG LYS 123 1HG LYS 123 9.656 3.594 -9.788 737 2HG LYS 123 2HG LYS 123 10.945 2.644 -9.041 738 1HD LYS 123 1HD LYS 123 9.306 0.956 -8.369 739 2HD LYS 123 2HD LYS 123 8.017 1.907 -9.108 740 1HE LYS 123 1HE LYS 123 9.048 1.643 -11.289 741 2HE LYS 123 2HE LYS 123 10.384 0.744 -10.571 742 1HZ LYS 123 1HZ LYS 123 8.825 -0.969 -9.891 743 2HZ LYS 123 2HZ LYS 123 8.742 -0.722 -11.566 744 3HZ LYS 123 3HZ LYS 123 7.532 -0.100 -10.564 745 H ARG 124 H ARG 124 12.240 1.721 -6.779 746 HA ARG 124 HA ARG 124 13.399 3.398 -4.661 747 1HB ARG 124 1HB ARG 124 15.254 1.748 -4.611 748 2HB ARG 124 2HB ARG 124 13.692 1.054 -4.201 749 1HG ARG 124 1HG ARG 124 13.778 -0.387 -5.889 750 2HG ARG 124 2HG ARG 124 14.273 0.858 -7.037 751 1HD ARG 124 1HD ARG 124 16.115 -0.491 -5.068 752 2HD ARG 124 2HD ARG 124 15.935 -0.963 -6.757 753 HE ARG 124 HE ARG 124 16.540 1.773 -6.647 754 1HH1 ARG 124 1HH1 ARG 124 18.055 -1.323 -6.007 755 2HH1 ARG 124 2HH1 ARG 124 19.662 -0.746 -6.367 756 1HH2 ARG 124 1HH2 ARG 124 18.626 2.539 -7.118 757 2HH2 ARG 124 2HH2 ARG 124 19.980 1.444 -7.015 758 H VAL 125 H VAL 125 15.057 4.731 -5.039 759 HA VAL 125 HA VAL 125 15.863 5.095 -7.837 760 HB VAL 125 HB VAL 125 16.353 6.754 -5.540 761 1HG1 VAL 125 1HG1 VAL 125 17.874 7.084 -7.422 762 2HG1 VAL 125 2HG1 VAL 125 16.754 8.436 -7.269 763 3HG1 VAL 125 3HG1 VAL 125 16.499 7.218 -8.518 764 1HG2 VAL 125 1HG2 VAL 125 14.488 8.087 -6.377 765 2HG2 VAL 125 2HG2 VAL 125 13.969 6.490 -5.840 766 3HG2 VAL 125 3HG2 VAL 125 14.129 6.832 -7.563 767 H2 HC4 169 H2 HC4 169 -9.420 -5.943 15.400 768 H3 HC4 169 H3 HC4 169 -10.898 -7.127 14.352 769 H2' HC4 169 H2' HC4 169 -12.363 -8.962 13.842 770 H3' HC4 169 H3' HC4 169 -13.507 -11.062 14.374 771 H5' HC4 169 H5' HC4 169 -11.460 -11.218 18.106 772 H6' HC4 169 H6' HC4 169 -10.338 -9.106 17.568 773 'HO4 HC4 169 'HO4 HC4 169 -13.552 -12.411 17.463 Start of MODEL 12 1 H LEU 26 H LEU 26 15.913 0.527 -9.314 2 HA LEU 26 HA LEU 26 13.666 0.603 -8.333 3 1HB LEU 26 1HB LEU 26 14.269 1.283 -10.687 4 2HB LEU 26 2HB LEU 26 13.749 -0.299 -11.219 5 HG LEU 26 HG LEU 26 12.129 1.636 -11.548 6 1HD1 LEU 26 1HD1 LEU 26 11.173 -0.774 -10.017 7 2HD1 LEU 26 2HD1 LEU 26 11.430 -0.680 -11.759 8 3HD1 LEU 26 3HD1 LEU 26 10.168 0.291 -10.999 9 1HD2 LEU 26 1HD2 LEU 26 10.749 2.255 -9.642 10 2HD2 LEU 26 2HD2 LEU 26 12.436 2.679 -9.359 11 3HD2 LEU 26 3HD2 LEU 26 11.741 1.256 -8.583 12 H ALA 27 H ALA 27 12.268 -0.617 -7.265 13 HA ALA 27 HA ALA 27 11.844 -3.389 -8.162 14 1HB ALA 27 1HB ALA 27 11.272 -2.172 -5.457 15 2HB ALA 27 2HB ALA 27 12.663 -3.180 -5.859 16 3HB ALA 27 3HB ALA 27 11.037 -3.862 -5.908 17 H PHE 28 H PHE 28 9.764 -4.126 -8.543 18 HA PHE 28 HA PHE 28 7.836 -2.068 -9.168 19 1HB PHE 28 1HB PHE 28 7.794 -5.059 -9.587 20 2HB PHE 28 2HB PHE 28 6.479 -3.989 -10.059 21 HD1 PHE 28 HD1 PHE 28 6.790 -2.369 -11.877 22 HD2 PHE 28 HD2 PHE 28 9.820 -5.170 -10.838 23 HE1 PHE 28 HE1 PHE 28 7.910 -1.952 -14.030 24 HE2 PHE 28 HE2 PHE 28 10.945 -4.756 -12.984 25 HZ PHE 28 HZ PHE 28 9.976 -3.131 -14.588 26 H GLY 29 H GLY 29 7.447 -1.396 -6.978 27 1HA GLY 29 1HA GLY 29 5.962 -3.213 -5.260 28 2HA GLY 29 2HA GLY 29 6.420 -1.553 -4.892 29 H ALA 30 H ALA 30 4.448 -3.155 -7.400 30 HA ALA 30 HA ALA 30 2.569 -0.916 -7.101 31 1HB ALA 30 1HB ALA 30 3.508 -1.272 -9.342 32 2HB ALA 30 2HB ALA 30 1.759 -1.493 -9.321 33 3HB ALA 30 3HB ALA 30 2.823 -2.898 -9.370 34 H ILE 31 H ILE 31 1.150 -1.465 -5.554 35 HA ILE 31 HA ILE 31 -0.557 -3.775 -6.102 36 HB ILE 31 HB ILE 31 0.837 -4.453 -4.554 37 1HG1 ILE 31 1HG1 ILE 31 -1.868 -3.793 -3.476 38 2HG1 ILE 31 2HG1 ILE 31 -1.349 -5.241 -4.333 39 1HG2 ILE 31 1HG2 ILE 31 1.676 -2.358 -3.671 40 2HG2 ILE 31 2HG2 ILE 31 1.065 -3.370 -2.361 41 3HG2 ILE 31 3HG2 ILE 31 0.101 -2.017 -2.953 42 1HD1 ILE 31 1HD1 ILE 31 -1.597 -5.644 -1.940 43 2HD1 ILE 31 2HD1 ILE 31 -0.386 -4.403 -1.613 44 3HD1 ILE 31 3HD1 ILE 31 0.068 -5.871 -2.476 45 H GLN 32 H GLN 32 -2.703 -3.485 -5.597 46 HA GLN 32 HA GLN 32 -3.360 -0.744 -4.737 47 1HB GLN 32 1HB GLN 32 -4.968 -0.474 -6.377 48 2HB GLN 32 2HB GLN 32 -3.695 -1.328 -7.227 49 1HG GLN 32 1HG GLN 32 -5.347 -2.627 -7.954 50 2HG GLN 32 2HG GLN 32 -5.239 -3.390 -6.365 51 1HE2 GLN 32 1HE2 GLN 32 -7.549 -3.134 -8.125 52 2HE2 GLN 32 2HE2 GLN 32 -8.747 -2.279 -7.217 53 H LEU 33 H LEU 33 -5.024 -0.438 -3.369 54 HA LEU 33 HA LEU 33 -6.451 -2.822 -2.416 55 1HB LEU 33 1HB LEU 33 -6.082 -2.059 -0.075 56 2HB LEU 33 2HB LEU 33 -4.656 -2.651 -0.893 57 HG LEU 33 HG LEU 33 -4.126 -0.162 -1.343 58 1HD1 LEU 33 1HD1 LEU 33 -6.031 0.130 0.972 59 2HD1 LEU 33 2HD1 LEU 33 -6.298 0.736 -0.662 60 3HD1 LEU 33 3HD1 LEU 33 -4.986 1.391 0.318 61 1HD2 LEU 33 1HD2 LEU 33 -2.862 -1.631 0.151 62 2HD2 LEU 33 2HD2 LEU 33 -3.990 -1.259 1.455 63 3HD2 LEU 33 3HD2 LEU 33 -2.972 0.014 0.781 64 H ASP 34 H ASP 34 -8.279 -2.307 -1.041 65 HA ASP 34 HA ASP 34 -9.736 -0.087 -2.222 66 1HB ASP 34 1HB ASP 34 -11.705 -0.970 -1.022 67 2HB ASP 34 2HB ASP 34 -10.931 -2.188 -2.023 68 H GLY 35 H GLY 35 -10.958 1.412 -0.975 69 1HA GLY 35 1HA GLY 35 -9.350 2.680 1.019 70 2HA GLY 35 2HA GLY 35 -10.939 3.200 0.476 71 H ASP 36 H ASP 36 -11.191 0.044 1.283 72 HA ASP 36 HA ASP 36 -12.552 0.625 3.771 73 1HB ASP 36 1HB ASP 36 -13.382 -0.954 1.963 74 2HB ASP 36 2HB ASP 36 -12.081 -2.043 2.426 75 H GLY 37 H GLY 37 -9.776 -1.189 2.584 76 1HA GLY 37 1HA GLY 37 -7.784 -0.918 4.138 77 2HA GLY 37 2HA GLY 37 -8.860 -1.568 5.368 78 H ASN 38 H ASN 38 -8.954 -2.720 2.070 79 HA ASN 38 HA ASN 38 -7.473 -5.146 2.861 80 1HB ASN 38 1HB ASN 38 -10.030 -5.206 1.249 81 2HB ASN 38 2HB ASN 38 -9.126 -6.582 1.873 82 1HD2 ASN 38 1HD2 ASN 38 -11.402 -4.105 2.553 83 2HD2 ASN 38 2HD2 ASN 38 -11.838 -4.636 4.141 84 H ILE 39 H ILE 39 -6.439 -6.233 1.164 85 HA ILE 39 HA ILE 39 -5.656 -4.576 -1.016 86 HB ILE 39 HB ILE 39 -5.309 -7.380 -0.496 87 1HG1 ILE 39 1HG1 ILE 39 -4.691 -5.785 1.323 88 2HG1 ILE 39 2HG1 ILE 39 -3.404 -6.792 0.709 89 1HG2 ILE 39 1HG2 ILE 39 -3.791 -5.402 -2.189 90 2HG2 ILE 39 2HG2 ILE 39 -4.782 -6.728 -2.797 91 3HG2 ILE 39 3HG2 ILE 39 -3.312 -7.070 -1.880 92 1HD1 ILE 39 1HD1 ILE 39 -3.883 -3.895 0.048 93 2HD1 ILE 39 2HD1 ILE 39 -2.596 -4.891 -0.630 94 3HD1 ILE 39 3HD1 ILE 39 -2.619 -4.536 1.097 95 H LEU 40 H LEU 40 -6.148 -4.799 -3.179 96 HA LEU 40 HA LEU 40 -8.427 -6.576 -3.791 97 1HB LEU 40 1HB LEU 40 -7.654 -3.978 -5.122 98 2HB LEU 40 2HB LEU 40 -9.007 -4.994 -5.581 99 HG LEU 40 HG LEU 40 -8.697 -3.531 -2.968 100 1HD1 LEU 40 1HD1 LEU 40 -9.190 -2.052 -4.834 101 2HD1 LEU 40 2HD1 LEU 40 -10.596 -2.208 -3.779 102 3HD1 LEU 40 3HD1 LEU 40 -10.539 -3.081 -5.312 103 1HD2 LEU 40 1HD2 LEU 40 -10.967 -5.230 -3.996 104 2HD2 LEU 40 2HD2 LEU 40 -10.986 -4.271 -2.516 105 3HD2 LEU 40 3HD2 LEU 40 -9.883 -5.639 -2.667 106 H GLN 41 H GLN 41 -5.535 -5.089 -5.228 107 HA GLN 41 HA GLN 41 -5.175 -7.487 -6.865 108 1HB GLN 41 1HB GLN 41 -6.530 -5.766 -8.134 109 2HB GLN 41 2HB GLN 41 -5.125 -4.716 -8.073 110 1HG GLN 41 1HG GLN 41 -4.921 -7.460 -9.243 111 2HG GLN 41 2HG GLN 41 -5.580 -6.125 -10.184 112 1HE2 GLN 41 1HE2 GLN 41 -3.167 -7.697 -10.596 113 2HE2 GLN 41 2HE2 GLN 41 -1.858 -6.568 -10.623 114 H TYR 42 H TYR 42 -3.080 -8.017 -7.176 115 HA TYR 42 HA TYR 42 -1.036 -6.072 -6.365 116 1HB TYR 42 1HB TYR 42 -1.346 -7.563 -4.481 117 2HB TYR 42 2HB TYR 42 -1.232 -8.972 -5.527 118 HD1 TYR 42 HD1 TYR 42 0.759 -10.106 -5.564 119 HD2 TYR 42 HD2 TYR 42 0.795 -5.960 -4.618 120 HE1 TYR 42 HE1 TYR 42 3.178 -10.229 -5.161 121 HE2 TYR 42 HE2 TYR 42 3.223 -6.071 -4.212 122 HH TYR 42 HH TYR 42 5.084 -8.918 -5.002 123 H ASN 43 H ASN 43 0.755 -6.017 -7.633 124 HA ASN 43 HA ASN 43 0.727 -7.789 -9.977 125 1HB ASN 43 1HB ASN 43 2.083 -5.105 -9.616 126 2HB ASN 43 2HB ASN 43 2.055 -6.050 -11.099 127 1HD2 ASN 43 1HD2 ASN 43 0.260 -3.992 -8.980 128 2HD2 ASN 43 2HD2 ASN 43 -1.108 -3.765 -10.017 129 H ALA 44 H ALA 44 2.536 -8.920 -10.582 130 HA ALA 44 HA ALA 44 4.549 -9.272 -8.499 131 1HB ALA 44 1HB ALA 44 5.211 -11.262 -9.780 132 2HB ALA 44 2HB ALA 44 4.025 -10.849 -11.018 133 3HB ALA 44 3HB ALA 44 3.490 -11.273 -9.393 134 H ALA 45 H ALA 45 6.791 -9.183 -8.935 135 HA ALA 45 HA ALA 45 7.472 -7.228 -10.991 136 1HB ALA 45 1HB ALA 45 9.134 -8.314 -8.717 137 2HB ALA 45 2HB ALA 45 8.226 -6.802 -8.704 138 3HB ALA 45 3HB ALA 45 9.593 -6.998 -9.800 139 H GLU 46 H GLU 46 7.841 -8.131 -12.919 140 HA GLU 46 HA GLU 46 9.292 -10.652 -13.111 141 1HB GLU 46 1HB GLU 46 8.082 -8.897 -15.262 142 2HB GLU 46 2HB GLU 46 8.829 -10.464 -15.540 143 1HG GLU 46 1HG GLU 46 7.112 -11.516 -14.144 144 2HG GLU 46 2HG GLU 46 6.361 -9.938 -13.901 145 H GLY 47 H GLY 47 10.884 -10.599 -15.137 146 1HA GLY 47 1HA GLY 47 12.417 -8.947 -16.275 147 2HA GLY 47 2HA GLY 47 12.722 -8.340 -14.654 148 H ASP 48 H ASP 48 13.261 -10.306 -13.099 149 HA ASP 48 HA ASP 48 15.672 -11.475 -14.222 150 1HB ASP 48 1HB ASP 48 15.536 -10.361 -11.923 151 2HB ASP 48 2HB ASP 48 14.647 -11.786 -11.395 152 H ILE 49 H ILE 49 15.944 -13.612 -14.684 153 HA ILE 49 HA ILE 49 13.488 -15.190 -14.695 154 HB ILE 49 HB ILE 49 16.008 -15.919 -15.850 155 1HG1 ILE 49 1HG1 ILE 49 15.446 -13.637 -16.577 156 2HG1 ILE 49 2HG1 ILE 49 15.266 -14.809 -17.876 157 1HG2 ILE 49 1HG2 ILE 49 14.483 -17.104 -17.385 158 2HG2 ILE 49 2HG2 ILE 49 13.110 -16.555 -16.424 159 3HG2 ILE 49 3HG2 ILE 49 14.299 -17.648 -15.718 160 1HD1 ILE 49 1HD1 ILE 49 13.014 -13.688 -16.227 161 2HD1 ILE 49 2HD1 ILE 49 12.863 -14.791 -17.597 162 3HD1 ILE 49 3HD1 ILE 49 13.468 -13.152 -17.844 163 H THR 50 H THR 50 14.641 -14.909 -12.193 164 HA THR 50 HA THR 50 15.023 -17.758 -11.624 165 HB THR 50 HB THR 50 16.327 -17.167 -9.779 166 HG1 THR 50 HG1 THR 50 16.617 -14.697 -11.197 167 1HG2 THR 50 1HG2 THR 50 17.445 -16.557 -12.501 168 2HG2 THR 50 2HG2 THR 50 17.249 -18.162 -11.800 169 3HG2 THR 50 3HG2 THR 50 18.371 -17.012 -11.072 170 H GLY 51 H GLY 51 12.615 -16.480 -11.591 171 1HA GLY 51 1HA GLY 51 12.000 -16.423 -8.736 172 2HA GLY 51 2HA GLY 51 11.662 -14.959 -9.646 173 H ARG 52 H ARG 52 10.397 -17.796 -8.529 174 HA ARG 52 HA ARG 52 8.164 -17.610 -10.433 175 1HB ARG 52 1HB ARG 52 8.947 -19.835 -8.544 176 2HB ARG 52 2HB ARG 52 7.440 -19.807 -9.448 177 1HG ARG 52 1HG ARG 52 10.160 -19.723 -10.729 178 2HG ARG 52 2HG ARG 52 9.248 -21.206 -10.446 179 1HD ARG 52 1HD ARG 52 8.909 -20.491 -12.722 180 2HD ARG 52 2HD ARG 52 7.405 -20.286 -11.827 181 HE ARG 52 HE ARG 52 9.162 -17.963 -12.114 182 1HH1 ARG 52 1HH1 ARG 52 6.225 -19.638 -13.042 183 2HH1 ARG 52 2HH1 ARG 52 5.507 -18.230 -13.760 184 1HH2 ARG 52 1HH2 ARG 52 8.210 -16.116 -13.039 185 2HH2 ARG 52 2HH2 ARG 52 6.637 -16.229 -13.770 186 H ASP 53 H ASP 53 6.771 -16.161 -9.723 187 HA ASP 53 HA ASP 53 6.609 -15.352 -7.012 188 1HB ASP 53 1HB ASP 53 4.734 -13.928 -7.799 189 2HB ASP 53 2HB ASP 53 6.176 -13.768 -8.795 190 HA PRO 54 HA PRO 54 3.587 -18.337 -5.681 191 1HB PRO 54 1HB PRO 54 3.322 -17.450 -3.152 192 2HB PRO 54 2HB PRO 54 4.766 -18.314 -3.691 193 1HG PRO 54 1HG PRO 54 4.345 -15.382 -3.299 194 2HG PRO 54 2HG PRO 54 5.761 -16.373 -2.905 195 1HD PRO 54 1HD PRO 54 5.547 -14.792 -5.146 196 2HD PRO 54 2HD PRO 54 6.601 -16.214 -5.026 197 H LYS 55 H LYS 55 3.231 -15.004 -6.040 198 HA LYS 55 HA LYS 55 1.496 -13.627 -6.405 199 1HB LYS 55 1HB LYS 55 0.046 -16.250 -6.686 200 2HB LYS 55 2HB LYS 55 -0.757 -14.699 -6.905 201 1HG LYS 55 1HG LYS 55 0.696 -14.136 -8.720 202 2HG LYS 55 2HG LYS 55 1.668 -15.583 -8.451 203 1HD LYS 55 1HD LYS 55 -0.284 -16.969 -9.021 204 2HD LYS 55 2HD LYS 55 -1.221 -15.501 -9.319 205 1HE LYS 55 1HE LYS 55 -0.326 -16.507 -11.394 206 2HE LYS 55 2HE LYS 55 0.260 -14.868 -11.112 207 1HZ LYS 55 1HZ LYS 55 2.057 -16.314 -11.824 208 2HZ LYS 55 2HZ LYS 55 1.763 -17.368 -10.530 209 3HZ LYS 55 3HZ LYS 55 2.322 -15.789 -10.233 210 H GLN 56 H GLN 56 1.569 -12.604 -4.446 211 HA GLN 56 HA GLN 56 0.062 -13.461 -2.186 212 1HB GLN 56 1HB GLN 56 1.918 -11.819 -2.052 213 2HB GLN 56 2HB GLN 56 0.941 -10.665 -2.947 214 1HG GLN 56 1HG GLN 56 0.886 -10.144 -0.597 215 2HG GLN 56 2HG GLN 56 -0.708 -10.667 -1.135 216 1HE2 GLN 56 1HE2 GLN 56 2.080 -11.468 0.773 217 2HE2 GLN 56 2HE2 GLN 56 1.365 -12.782 1.640 218 H VAL 57 H VAL 57 -0.500 -10.957 -4.632 219 HA VAL 57 HA VAL 57 -2.320 -10.095 -5.623 220 HB VAL 57 HB VAL 57 -3.599 -12.464 -4.650 221 1HG1 VAL 57 1HG1 VAL 57 -5.194 -10.761 -5.329 222 2HG1 VAL 57 2HG1 VAL 57 -5.103 -12.026 -6.555 223 3HG1 VAL 57 3HG1 VAL 57 -4.290 -10.483 -6.817 224 1HG2 VAL 57 1HG2 VAL 57 -3.064 -13.324 -6.873 225 2HG2 VAL 57 2HG2 VAL 57 -1.614 -12.978 -5.931 226 3HG2 VAL 57 3HG2 VAL 57 -2.126 -11.866 -7.200 227 H ILE 58 H ILE 58 -3.817 -11.726 -2.822 228 HA ILE 58 HA ILE 58 -4.786 -9.111 -1.914 229 HB ILE 58 HB ILE 58 -6.734 -10.341 -1.198 230 1HG1 ILE 58 1HG1 ILE 58 -5.724 -12.134 -3.408 231 2HG1 ILE 58 2HG1 ILE 58 -6.048 -12.594 -1.740 232 1HG2 ILE 58 1HG2 ILE 58 -7.774 -9.817 -3.383 233 2HG2 ILE 58 2HG2 ILE 58 -6.160 -9.586 -4.056 234 3HG2 ILE 58 3HG2 ILE 58 -6.740 -8.525 -2.772 235 1HD1 ILE 58 1HD1 ILE 58 -8.082 -11.690 -3.757 236 2HD1 ILE 58 2HD1 ILE 58 -8.419 -12.137 -2.084 237 3HD1 ILE 58 3HD1 ILE 58 -7.809 -13.346 -3.215 238 H GLY 59 H GLY 59 -2.937 -9.463 -0.575 239 1HA GLY 59 1HA GLY 59 -2.758 -11.594 1.279 240 2HA GLY 59 2HA GLY 59 -1.880 -10.074 1.372 241 H LYS 60 H LYS 60 -4.335 -8.457 1.422 242 HA LYS 60 HA LYS 60 -4.984 -8.955 4.240 243 1HB LYS 60 1HB LYS 60 -3.899 -6.838 3.859 244 2HB LYS 60 2HB LYS 60 -5.025 -6.452 2.562 245 1HG LYS 60 1HG LYS 60 -5.476 -5.217 4.648 246 2HG LYS 60 2HG LYS 60 -6.830 -6.225 4.137 247 1HD LYS 60 1HD LYS 60 -6.219 -7.915 5.770 248 2HD LYS 60 2HD LYS 60 -4.802 -6.973 6.243 249 1HE LYS 60 1HE LYS 60 -6.732 -6.741 7.797 250 2HE LYS 60 2HE LYS 60 -6.179 -5.216 7.107 251 1HZ LYS 60 1HZ LYS 60 -7.994 -5.289 5.531 252 2HZ LYS 60 2HZ LYS 60 -8.599 -5.392 7.111 253 3HZ LYS 60 3HZ LYS 60 -8.515 -6.782 6.142 254 H ASN 61 H ASN 61 -6.843 -9.944 4.514 255 HA ASN 61 HA ASN 61 -9.212 -8.892 3.134 256 1HB ASN 61 1HB ASN 61 -8.460 -11.070 2.057 257 2HB ASN 61 2HB ASN 61 -8.781 -11.846 3.605 258 1HD2 ASN 61 1HD2 ASN 61 -10.417 -13.146 2.883 259 2HD2 ASN 61 2HD2 ASN 61 -11.956 -12.532 2.352 260 H PHE 62 H PHE 62 -10.411 -8.100 4.731 261 HA PHE 62 HA PHE 62 -9.950 -8.656 7.441 262 1HB PHE 62 1HB PHE 62 -10.980 -6.565 6.556 263 2HB PHE 62 2HB PHE 62 -12.451 -7.476 6.231 264 HD1 PHE 62 HD1 PHE 62 -14.108 -7.510 7.841 265 HD2 PHE 62 HD2 PHE 62 -10.098 -6.705 9.012 266 HE1 PHE 62 HE1 PHE 62 -14.869 -7.081 10.138 267 HE2 PHE 62 HE2 PHE 62 -10.852 -6.275 11.314 268 HZ PHE 62 HZ PHE 62 -13.241 -6.466 11.881 269 H PHE 63 H PHE 63 -10.117 -10.700 8.067 270 HA PHE 63 HA PHE 63 -12.660 -12.129 7.640 271 1HB PHE 63 1HB PHE 63 -10.594 -13.248 6.840 272 2HB PHE 63 2HB PHE 63 -9.917 -13.140 8.457 273 HD1 PHE 63 HD1 PHE 63 -10.039 -14.992 9.806 274 HD2 PHE 63 HD2 PHE 63 -12.928 -14.495 6.719 275 HE1 PHE 63 HE1 PHE 63 -11.000 -17.189 10.358 276 HE2 PHE 63 HE2 PHE 63 -13.892 -16.690 7.266 277 HZ PHE 63 HZ PHE 63 -12.929 -18.040 9.088 278 H LYS 64 H LYS 64 -11.783 -9.971 9.613 279 HA LYS 64 HA LYS 64 -11.795 -9.436 11.814 280 1HB LYS 64 1HB LYS 64 -13.460 -11.957 12.057 281 2HB LYS 64 2HB LYS 64 -13.237 -10.775 13.341 282 1HG LYS 64 1HG LYS 64 -14.277 -9.061 11.921 283 2HG LYS 64 2HG LYS 64 -14.541 -10.278 10.673 284 1HD LYS 64 1HD LYS 64 -15.977 -11.536 12.183 285 2HD LYS 64 2HD LYS 64 -15.677 -10.360 13.465 286 1HE LYS 64 1HE LYS 64 -17.820 -9.924 12.416 287 2HE LYS 64 2HE LYS 64 -16.695 -8.607 12.085 288 1HZ LYS 64 1HZ LYS 64 -16.254 -9.683 9.901 289 2HZ LYS 64 2HZ LYS 64 -17.846 -9.130 10.084 290 3HZ LYS 64 3HZ LYS 64 -17.504 -10.785 10.231 291 H ASP 65 H ASP 65 -9.599 -10.326 10.946 292 HA ASP 65 HA ASP 65 -8.547 -12.780 11.751 293 1HB ASP 65 1HB ASP 65 -6.899 -10.295 11.309 294 2HB ASP 65 2HB ASP 65 -6.479 -11.963 10.938 295 H VAL 66 H VAL 66 -9.315 -10.176 13.660 296 HA VAL 66 HA VAL 66 -8.551 -9.198 15.560 297 HB VAL 66 HB VAL 66 -8.448 -10.618 17.356 298 1HG1 VAL 66 1HG1 VAL 66 -10.699 -10.993 15.387 299 2HG1 VAL 66 2HG1 VAL 66 -10.501 -9.633 16.494 300 3HG1 VAL 66 3HG1 VAL 66 -10.797 -11.252 17.130 301 1HG2 VAL 66 1HG2 VAL 66 -8.887 -12.802 15.334 302 2HG2 VAL 66 2HG2 VAL 66 -9.047 -12.958 17.084 303 3HG2 VAL 66 3HG2 VAL 66 -7.473 -12.615 16.366 304 H ALA 67 H ALA 67 -6.393 -9.346 13.921 305 HA ALA 67 HA ALA 67 -4.203 -9.862 15.818 306 1HB ALA 67 1HB ALA 67 -3.929 -11.033 13.696 307 2HB ALA 67 2HB ALA 67 -2.706 -9.774 13.864 308 3HB ALA 67 3HB ALA 67 -4.101 -9.512 12.818 309 HA PRO 68 HA PRO 68 -4.900 -5.516 16.712 310 1HB PRO 68 1HB PRO 68 -2.110 -5.956 17.706 311 2HB PRO 68 2HB PRO 68 -3.448 -5.086 18.467 312 1HG PRO 68 1HG PRO 68 -2.847 -7.552 19.238 313 2HG PRO 68 2HG PRO 68 -4.539 -7.040 19.088 314 1HD PRO 68 1HD PRO 68 -2.943 -8.838 17.346 315 2HD PRO 68 2HD PRO 68 -4.690 -8.826 17.661 316 H CYS 69 H CYS 69 -4.850 -4.200 15.031 317 HA CYS 69 HA CYS 69 -2.361 -3.798 13.535 318 1HB CYS 69 1HB CYS 69 -5.049 -2.575 12.887 319 2HB CYS 69 2HB CYS 69 -3.671 -2.784 11.819 320 H THR 70 H THR 70 -1.119 -2.107 14.087 321 HA THR 70 HA THR 70 -1.700 -0.116 15.911 322 HB THR 70 HB THR 70 -0.180 0.328 13.528 323 HG1 THR 70 HG1 THR 70 1.483 -0.787 14.826 324 1HG2 THR 70 1HG2 THR 70 1.240 1.506 15.125 325 2HG2 THR 70 2HG2 THR 70 0.117 1.101 16.423 326 3HG2 THR 70 3HG2 THR 70 -0.396 2.165 15.113 327 H ASP 71 H ASP 71 -1.852 0.064 12.371 328 HA ASP 71 HA ASP 71 -4.379 1.359 12.378 329 1HB ASP 71 1HB ASP 71 -3.032 3.342 12.920 330 2HB ASP 71 2HB ASP 71 -1.991 3.024 11.534 331 H SER 72 H SER 72 -1.556 1.621 10.271 332 HA SER 72 HA SER 72 -2.889 -0.142 8.334 333 1HB SER 72 1HB SER 72 -1.138 2.259 7.714 334 2HB SER 72 2HB SER 72 -1.908 1.204 6.530 335 HG SER 72 HG SER 72 -3.252 2.848 8.437 336 HA PRO 73 HA PRO 73 0.767 -2.595 8.648 337 1HB PRO 73 1HB PRO 73 0.602 -3.375 5.841 338 2HB PRO 73 2HB PRO 73 0.241 -4.325 7.284 339 1HG PRO 73 1HG PRO 73 -1.684 -3.505 5.566 340 2HG PRO 73 2HG PRO 73 -1.971 -3.704 7.304 341 1HD PRO 73 1HD PRO 73 -1.434 -1.197 5.747 342 2HD PRO 73 2HD PRO 73 -2.631 -1.489 7.029 343 H GLU 74 H GLU 74 1.394 0.123 8.034 344 HA GLU 74 HA GLU 74 3.115 1.435 7.381 345 1HB GLU 74 1HB GLU 74 4.481 -1.190 6.767 346 2HB GLU 74 2HB GLU 74 5.277 0.377 6.777 347 1HG GLU 74 1HG GLU 74 4.042 -1.054 9.115 348 2HG GLU 74 2HG GLU 74 5.752 -0.739 8.829 349 H PHE 75 H PHE 75 4.720 1.759 5.406 350 HA PHE 75 HA PHE 75 5.015 2.184 3.197 351 1HB PHE 75 1HB PHE 75 3.194 -0.204 2.831 352 2HB PHE 75 2HB PHE 75 4.069 0.590 1.526 353 HD1 PHE 75 HD1 PHE 75 4.211 -1.844 4.138 354 HD2 PHE 75 HD2 PHE 75 6.591 0.618 1.615 355 HE1 PHE 75 HE1 PHE 75 6.157 -3.279 4.587 356 HE2 PHE 75 HE2 PHE 75 8.544 -0.814 2.052 357 HZ PHE 75 HZ PHE 75 8.321 -2.782 3.527 358 H TYR 76 H TYR 76 2.766 3.302 4.772 359 HA TYR 76 HA TYR 76 1.008 4.058 2.543 360 1HB TYR 76 1HB TYR 76 -0.707 4.584 4.210 361 2HB TYR 76 2HB TYR 76 -0.188 2.911 4.352 362 HD1 TYR 76 HD1 TYR 76 1.196 2.203 6.275 363 HD2 TYR 76 HD2 TYR 76 -0.356 6.155 5.996 364 HE1 TYR 76 HE1 TYR 76 1.662 2.548 8.661 365 HE2 TYR 76 HE2 TYR 76 0.102 6.509 8.386 366 HH TYR 76 HH TYR 76 0.475 5.265 10.409 367 H GLY 77 H GLY 77 0.613 6.200 2.143 368 1HA GLY 77 1HA GLY 77 2.383 8.083 3.561 369 2HA GLY 77 2HA GLY 77 1.808 8.284 1.911 370 H LYS 78 H LYS 78 1.036 8.578 5.289 371 HA LYS 78 HA LYS 78 -0.572 9.703 6.433 372 1HB LYS 78 1HB LYS 78 0.284 11.473 4.735 373 2HB LYS 78 2HB LYS 78 -1.243 11.198 3.910 374 1HG LYS 78 1HG LYS 78 -1.465 13.113 5.316 375 2HG LYS 78 2HG LYS 78 -2.423 11.803 6.006 376 1HD LYS 78 1HD LYS 78 -0.643 11.330 7.605 377 2HD LYS 78 2HD LYS 78 0.342 12.614 6.901 378 1HE LYS 78 1HE LYS 78 -2.327 12.954 8.266 379 2HE LYS 78 2HE LYS 78 -0.754 13.372 8.942 380 1HZ LYS 78 1HZ LYS 78 -2.036 14.619 6.568 381 2HZ LYS 78 2HZ LYS 78 -0.476 14.979 7.128 382 3HZ LYS 78 3HZ LYS 78 -1.823 15.328 8.095 383 H PHE 79 H PHE 79 -1.285 7.249 5.299 384 HA PHE 79 HA PHE 79 -3.406 7.074 3.584 385 1HB PHE 79 1HB PHE 79 -2.068 5.163 4.462 386 2HB PHE 79 2HB PHE 79 -2.970 5.273 5.970 387 HD1 PHE 79 HD1 PHE 79 -5.108 4.285 6.185 388 HD2 PHE 79 HD2 PHE 79 -3.274 4.589 2.359 389 HE1 PHE 79 HE1 PHE 79 -6.840 2.811 5.241 390 HE2 PHE 79 HE2 PHE 79 -4.999 3.121 1.410 391 HZ PHE 79 HZ PHE 79 -6.784 2.231 2.845 392 H LYS 80 H LYS 80 -3.532 7.844 7.024 393 HA LYS 80 HA LYS 80 -6.293 7.143 7.321 394 1HB LYS 80 1HB LYS 80 -4.574 7.175 9.179 395 2HB LYS 80 2HB LYS 80 -4.678 8.930 9.146 396 1HG LYS 80 1HG LYS 80 -7.028 8.827 9.736 397 2HG LYS 80 2HG LYS 80 -6.978 7.064 9.696 398 1HD LYS 80 1HD LYS 80 -5.287 7.111 11.500 399 2HD LYS 80 2HD LYS 80 -5.452 8.867 11.572 400 1HE LYS 80 1HE LYS 80 -7.639 6.853 12.094 401 2HE LYS 80 2HE LYS 80 -6.768 7.777 13.316 402 1HZ LYS 80 1HZ LYS 80 -8.664 8.790 11.276 403 2HZ LYS 80 2HZ LYS 80 -7.627 9.815 12.136 404 3HZ LYS 80 3HZ LYS 80 -8.788 8.900 12.964 405 H GLU 81 H GLU 81 -4.502 10.089 6.716 406 HA GLU 81 HA GLU 81 -6.849 11.762 6.717 407 1HB GLU 81 1HB GLU 81 -4.739 12.757 7.368 408 2HB GLU 81 2HB GLU 81 -3.985 12.239 5.867 409 1HG GLU 81 1HG GLU 81 -5.435 13.758 4.618 410 2HG GLU 81 2HG GLU 81 -6.187 14.275 6.127 411 H GLY 82 H GLY 82 -4.914 9.960 4.466 412 1HA GLY 82 1HA GLY 82 -5.647 11.099 2.065 413 2HA GLY 82 2HA GLY 82 -5.156 9.441 2.287 414 H VAL 83 H VAL 83 -7.077 8.483 3.891 415 HA VAL 83 HA VAL 83 -9.157 7.892 2.030 416 HB VAL 83 HB VAL 83 -8.957 7.478 4.865 417 1HG1 VAL 83 1HG1 VAL 83 -10.535 5.623 4.362 418 2HG1 VAL 83 2HG1 VAL 83 -10.712 6.261 2.725 419 3HG1 VAL 83 3HG1 VAL 83 -11.239 7.219 4.110 420 1HG2 VAL 83 1HG2 VAL 83 -8.150 5.777 2.517 421 2HG2 VAL 83 2HG2 VAL 83 -8.161 5.262 4.204 422 3HG2 VAL 83 3HG2 VAL 83 -7.068 6.545 3.680 423 H ALA 84 H ALA 84 -8.996 9.802 5.005 424 HA ALA 84 HA ALA 84 -11.803 10.306 5.074 425 1HB ALA 84 1HB ALA 84 -11.285 11.826 6.925 426 2HB ALA 84 2HB ALA 84 -9.564 11.658 6.574 427 3HB ALA 84 3HB ALA 84 -10.491 10.264 7.131 428 H SER 85 H SER 85 -9.009 11.897 3.802 429 HA SER 85 HA SER 85 -10.294 14.359 3.137 430 1HB SER 85 1HB SER 85 -7.783 13.926 3.217 431 2HB SER 85 2HB SER 85 -7.960 13.113 1.664 432 HG SER 85 HG SER 85 -9.015 15.699 1.962 433 H GLY 86 H GLY 86 -10.248 11.185 1.774 434 1HA GLY 86 1HA GLY 86 -11.769 10.285 0.282 435 2HA GLY 86 2HA GLY 86 -12.425 11.896 0.023 436 H ASN 87 H ASN 87 -9.034 11.450 -0.279 437 HA ASN 87 HA ASN 87 -9.016 11.003 -3.088 438 1HB ASN 87 1HB ASN 87 -8.090 13.297 -3.679 439 2HB ASN 87 2HB ASN 87 -9.815 13.216 -3.362 440 1HD2 ASN 87 1HD2 ASN 87 -7.193 13.303 -0.979 441 2HD2 ASN 87 2HD2 ASN 87 -7.673 14.802 -0.258 442 H LEU 88 H LEU 88 -7.681 9.609 -1.381 443 HA LEU 88 HA LEU 88 -5.089 10.524 -0.743 444 1HB LEU 88 1HB LEU 88 -6.534 8.373 -0.055 445 2HB LEU 88 2HB LEU 88 -5.484 7.648 -1.260 446 HG LEU 88 HG LEU 88 -4.559 9.241 1.070 447 1HD1 LEU 88 1HD1 LEU 88 -3.907 7.105 2.091 448 2HD1 LEU 88 2HD1 LEU 88 -4.638 6.246 0.735 449 3HD1 LEU 88 3HD1 LEU 88 -5.648 7.195 1.825 450 1HD2 LEU 88 1HD2 LEU 88 -2.960 9.240 -0.754 451 2HD2 LEU 88 2HD2 LEU 88 -3.029 7.479 -0.834 452 3HD2 LEU 88 3HD2 LEU 88 -2.354 8.273 0.589 453 H ASN 89 H ASN 89 -4.296 11.488 -2.649 454 HA ASN 89 HA ASN 89 -3.003 9.516 -4.361 455 1HB ASN 89 1HB ASN 89 -4.897 10.139 -5.703 456 2HB ASN 89 2HB ASN 89 -4.657 11.839 -5.354 457 1HD2 ASN 89 1HD2 ASN 89 -4.532 12.388 -7.533 458 2HD2 ASN 89 2HD2 ASN 89 -3.157 11.995 -8.506 459 H THR 90 H THR 90 -0.953 9.865 -3.672 460 HA THR 90 HA THR 90 0.222 12.466 -4.100 461 HB THR 90 HB THR 90 -0.839 12.596 -2.048 462 HG1 THR 90 HG1 THR 90 0.853 13.701 -1.273 463 1HG2 THR 90 1HG2 THR 90 0.141 11.421 -0.137 464 2HG2 THR 90 2HG2 THR 90 1.111 10.448 -1.240 465 3HG2 THR 90 3HG2 THR 90 -0.647 10.315 -1.262 466 H MET 91 H MET 91 2.508 12.457 -3.848 467 HA MET 91 HA MET 91 3.701 9.774 -3.666 468 1HB MET 91 1HB MET 91 5.428 10.574 -5.315 469 2HB MET 91 2HB MET 91 3.825 10.310 -5.972 470 1HG MET 91 1HG MET 91 3.403 12.741 -5.838 471 2HG MET 91 2HG MET 91 5.047 12.964 -5.248 472 1HE MET 91 1HE MET 91 3.911 14.551 -7.748 473 2HE MET 91 2HE MET 91 5.296 14.442 -8.835 474 3HE MET 91 3HE MET 91 5.547 14.720 -7.110 475 H PHE 92 H PHE 92 5.231 9.571 -2.222 476 HA PHE 92 HA PHE 92 6.789 11.875 -1.371 477 1HB PHE 92 1HB PHE 92 4.850 11.924 0.120 478 2HB PHE 92 2HB PHE 92 5.096 10.229 0.524 479 HD1 PHE 92 HD1 PHE 92 6.703 13.566 0.731 480 HD2 PHE 92 HD2 PHE 92 6.437 9.632 2.336 481 HE1 PHE 92 HE1 PHE 92 8.149 14.236 2.604 482 HE2 PHE 92 HE2 PHE 92 7.884 10.298 4.213 483 HZ PHE 92 HZ PHE 92 8.729 12.587 4.363 484 H GLU 93 H GLU 93 8.842 11.286 -1.035 485 HA GLU 93 HA GLU 93 9.391 8.420 -0.808 486 1HB GLU 93 1HB GLU 93 11.695 8.998 -1.543 487 2HB GLU 93 2HB GLU 93 10.457 9.374 -2.729 488 1HG GLU 93 1HG GLU 93 10.544 11.740 -1.958 489 2HG GLU 93 2HG GLU 93 11.922 11.301 -0.949 490 H TYR 94 H TYR 94 10.169 7.613 0.997 491 HA TYR 94 HA TYR 94 11.348 9.475 2.931 492 1HB TYR 94 1HB TYR 94 10.413 7.976 4.747 493 2HB TYR 94 2HB TYR 94 9.240 8.961 3.887 494 HD1 TYR 94 HD1 TYR 94 10.144 5.653 4.908 495 HD2 TYR 94 HD2 TYR 94 7.861 7.835 2.055 496 HE1 TYR 94 HE1 TYR 94 8.833 3.632 4.420 497 HE2 TYR 94 HE2 TYR 94 6.539 5.820 1.563 498 HH TYR 94 HH TYR 94 6.730 3.397 1.746 499 H THR 95 H THR 95 13.399 9.070 2.494 500 HA THR 95 HA THR 95 14.269 6.319 2.231 501 HB THR 95 HB THR 95 14.919 7.836 0.699 502 HG1 THR 95 HG1 THR 95 17.357 7.531 1.619 503 1HG2 THR 95 1HG2 THR 95 16.529 9.592 1.244 504 2HG2 THR 95 2HG2 THR 95 16.294 9.265 2.962 505 3HG2 THR 95 3HG2 THR 95 14.957 9.882 1.989 506 H PHE 96 H PHE 96 15.445 5.248 3.669 507 HA PHE 96 HA PHE 96 16.454 4.660 5.607 508 1HB PHE 96 1HB PHE 96 17.549 7.469 5.333 509 2HB PHE 96 2HB PHE 96 18.099 6.331 6.557 510 HD1 PHE 96 HD1 PHE 96 20.360 6.123 5.861 511 HD2 PHE 96 HD2 PHE 96 17.213 5.438 3.085 512 HE1 PHE 96 HE1 PHE 96 21.970 5.160 4.268 513 HE2 PHE 96 HE2 PHE 96 18.800 4.477 1.492 514 HZ PHE 96 HZ PHE 96 21.196 4.334 2.079 515 H ASP 97 H ASP 97 14.146 4.695 6.323 516 HA ASP 97 HA ASP 97 13.363 6.895 8.041 517 1HB ASP 97 1HB ASP 97 11.198 5.820 8.102 518 2HB ASP 97 2HB ASP 97 11.774 5.818 6.438 519 H TYR 98 H TYR 98 11.710 5.098 9.702 520 HA TYR 98 HA TYR 98 13.585 4.801 11.852 521 1HB TYR 98 1HB TYR 98 10.674 3.986 11.758 522 2HB TYR 98 2HB TYR 98 11.652 4.242 13.200 523 HD1 TYR 98 HD1 TYR 98 12.663 6.644 13.466 524 HD2 TYR 98 HD2 TYR 98 9.348 5.711 10.971 525 HE1 TYR 98 HE1 TYR 98 11.958 8.999 13.534 526 HE2 TYR 98 HE2 TYR 98 8.640 8.063 11.027 527 HH TYR 98 HH TYR 98 10.619 10.558 12.184 528 H GLN 99 H GLN 99 12.443 2.792 9.356 529 HA GLN 99 HA GLN 99 12.738 0.273 10.651 530 1HB GLN 99 1HB GLN 99 11.479 0.521 8.559 531 2HB GLN 99 2HB GLN 99 12.943 1.018 7.724 532 1HG GLN 99 1HG GLN 99 13.904 -1.156 7.973 533 2HG GLN 99 2HG GLN 99 12.576 -1.675 9.011 534 1HE2 GLN 99 1HE2 GLN 99 13.556 -0.932 5.757 535 2HE2 GLN 99 2HE2 GLN 99 12.192 -1.652 4.973 536 H MET 100 H MET 100 14.533 -0.834 11.141 537 HA MET 100 HA MET 100 17.029 0.452 11.113 538 1HB MET 100 1HB MET 100 16.358 -1.258 12.768 539 2HB MET 100 2HB MET 100 16.477 -2.490 11.520 540 1HG MET 100 1HG MET 100 18.831 -2.149 11.313 541 2HG MET 100 2HG MET 100 18.769 -0.751 12.385 542 1HE MET 100 1HE MET 100 16.840 -1.620 14.636 543 2HE MET 100 2HE MET 100 18.407 -0.913 15.031 544 3HE MET 100 3HE MET 100 17.888 -2.401 15.821 545 H THR 101 H THR 101 15.531 -1.662 8.812 546 HA THR 101 HA THR 101 17.980 -1.751 7.208 547 HB THR 101 HB THR 101 15.331 -2.646 6.552 548 HG1 THR 101 HG1 THR 101 16.157 -3.565 8.550 549 1HG2 THR 101 1HG2 THR 101 18.092 -3.366 5.585 550 2HG2 THR 101 2HG2 THR 101 16.894 -2.423 4.697 551 3HG2 THR 101 3HG2 THR 101 16.584 -4.120 5.067 552 HA PRO 102 HA PRO 102 16.089 2.086 5.705 553 1HB PRO 102 1HB PRO 102 18.725 2.949 4.924 554 2HB PRO 102 2HB PRO 102 17.734 3.529 6.263 555 1HG PRO 102 1HG PRO 102 20.067 2.130 6.580 556 2HG PRO 102 2HG PRO 102 18.758 2.158 7.775 557 1HD PRO 102 1HD PRO 102 19.405 0.077 5.719 558 2HD PRO 102 2HD PRO 102 18.898 -0.130 7.411 559 H THR 103 H THR 103 15.027 1.462 3.881 560 HA THR 103 HA THR 103 16.647 1.191 1.436 561 HB THR 103 HB THR 103 13.849 0.655 1.722 562 HG1 THR 103 HG1 THR 103 15.773 -0.524 3.069 563 1HG2 THR 103 1HG2 THR 103 16.017 -0.340 -0.111 564 2HG2 THR 103 2HG2 THR 103 14.768 0.833 -0.531 565 3HG2 THR 103 3HG2 THR 103 14.322 -0.830 -0.144 566 H LYS 104 H LYS 104 16.295 2.629 -0.259 567 HA LYS 104 HA LYS 104 14.797 4.996 0.474 568 1HB LYS 104 1HB LYS 104 17.009 5.215 -0.647 569 2HB LYS 104 2HB LYS 104 16.315 4.478 -2.090 570 1HG LYS 104 1HG LYS 104 14.809 6.302 -2.386 571 2HG LYS 104 2HG LYS 104 15.250 6.991 -0.824 572 1HD LYS 104 1HD LYS 104 17.588 7.245 -1.715 573 2HD LYS 104 2HD LYS 104 16.965 6.772 -3.296 574 1HE LYS 104 1HE LYS 104 16.060 9.150 -1.671 575 2HE LYS 104 2HE LYS 104 17.104 9.204 -3.089 576 1HZ LYS 104 1HZ LYS 104 14.729 9.739 -3.526 577 2HZ LYS 104 2HZ LYS 104 14.341 8.140 -3.133 578 3HZ LYS 104 3HZ LYS 104 15.334 8.458 -4.464 579 H VAL 105 H VAL 105 12.712 4.650 0.388 580 HA VAL 105 HA VAL 105 11.584 3.523 -2.072 581 HB VAL 105 HB VAL 105 9.635 3.246 -0.866 582 1HG1 VAL 105 1HG1 VAL 105 12.147 1.899 0.116 583 2HG1 VAL 105 2HG1 VAL 105 11.179 1.427 -1.281 584 3HG1 VAL 105 3HG1 VAL 105 10.511 1.283 0.344 585 1HG2 VAL 105 1HG2 VAL 105 9.777 3.237 1.576 586 2HG2 VAL 105 2HG2 VAL 105 9.952 4.859 0.904 587 3HG2 VAL 105 3HG2 VAL 105 11.373 3.982 1.475 588 H LYS 106 H LYS 106 9.547 4.354 -2.806 589 HA LYS 106 HA LYS 106 8.934 7.097 -2.024 590 1HB LYS 106 1HB LYS 106 10.679 7.091 -3.891 591 2HB LYS 106 2HB LYS 106 9.440 6.384 -4.917 592 1HG LYS 106 1HG LYS 106 8.063 8.335 -4.698 593 2HG LYS 106 2HG LYS 106 9.164 9.027 -3.505 594 1HD LYS 106 1HD LYS 106 9.772 10.125 -5.457 595 2HD LYS 106 2HD LYS 106 10.943 8.807 -5.372 596 1HE LYS 106 1HE LYS 106 10.147 8.937 -7.618 597 2HE LYS 106 2HE LYS 106 9.461 7.490 -6.882 598 1HZ LYS 106 1HZ LYS 106 8.007 10.072 -7.037 599 2HZ LYS 106 2HZ LYS 106 7.376 8.543 -6.648 600 3HZ LYS 106 3HZ LYS 106 7.888 8.870 -8.227 601 H VAL 107 H VAL 107 6.789 7.106 -1.714 602 HA VAL 107 HA VAL 107 5.241 4.994 -2.980 603 HB VAL 107 HB VAL 107 3.432 5.834 -1.762 604 1HG1 VAL 107 1HG1 VAL 107 5.934 4.961 -0.306 605 2HG1 VAL 107 2HG1 VAL 107 4.748 3.906 -1.075 606 3HG1 VAL 107 3HG1 VAL 107 4.295 4.864 0.335 607 1HG2 VAL 107 1HG2 VAL 107 3.838 7.268 0.117 608 2HG2 VAL 107 2HG2 VAL 107 4.228 8.113 -1.381 609 3HG2 VAL 107 3HG2 VAL 107 5.520 7.482 -0.359 610 H HIS 108 H HIS 108 3.699 5.255 -4.426 611 HA HIS 108 HA HIS 108 2.542 7.933 -4.614 612 1HB HIS 108 1HB HIS 108 3.899 7.412 -6.687 613 2HB HIS 108 2HB HIS 108 2.801 6.069 -6.988 614 HD1 HIS 108 HD1 HIS 108 1.915 7.117 -9.187 615 HD2 HIS 108 HD2 HIS 108 1.343 9.508 -5.829 616 HE1 HIS 108 HE1 HIS 108 0.322 8.925 -9.897 617 HE2 HIS 108 HE2 HIS 108 0.117 10.447 -7.906 618 H MET 109 H MET 109 0.808 7.601 -3.473 619 HA MET 109 HA MET 109 -0.788 5.186 -3.958 620 1HB MET 109 1HB MET 109 -0.990 7.214 -1.709 621 2HB MET 109 2HB MET 109 -1.950 5.750 -1.863 622 1HG MET 109 1HG MET 109 0.131 4.421 -1.693 623 2HG MET 109 2HG MET 109 1.018 5.917 -1.403 624 1HE MET 109 1HE MET 109 -2.569 4.859 -0.171 625 2HE MET 109 2HE MET 109 -2.191 4.183 1.414 626 3HE MET 109 3HE MET 109 -1.615 3.378 -0.045 627 H LYS 110 H LYS 110 -2.794 5.402 -4.897 628 HA LYS 110 HA LYS 110 -3.690 8.141 -5.351 629 1HB LYS 110 1HB LYS 110 -3.959 7.790 -7.752 630 2HB LYS 110 2HB LYS 110 -2.277 7.615 -7.281 631 1HG LYS 110 1HG LYS 110 -2.539 5.170 -7.344 632 2HG LYS 110 2HG LYS 110 -4.204 5.384 -7.889 633 1HD LYS 110 1HD LYS 110 -3.314 6.673 -9.841 634 2HD LYS 110 2HD LYS 110 -1.687 6.228 -9.323 635 1HE LYS 110 1HE LYS 110 -2.310 3.850 -9.518 636 2HE LYS 110 2HE LYS 110 -3.898 4.335 -10.111 637 1HZ LYS 110 1HZ LYS 110 -2.709 5.499 -11.950 638 2HZ LYS 110 2HZ LYS 110 -2.569 3.811 -11.971 639 3HZ LYS 110 3HZ LYS 110 -1.275 4.758 -11.429 640 H LYS 111 H LYS 111 -5.792 8.315 -5.027 641 HA LYS 111 HA LYS 111 -7.504 6.277 -4.497 642 1HB LYS 111 1HB LYS 111 -7.970 8.536 -3.986 643 2HB LYS 111 2HB LYS 111 -7.918 8.999 -5.676 644 1HG LYS 111 1HG LYS 111 -9.941 7.691 -6.106 645 2HG LYS 111 2HG LYS 111 -10.000 7.236 -4.399 646 1HD LYS 111 1HD LYS 111 -10.377 9.482 -3.727 647 2HD LYS 111 2HD LYS 111 -10.014 10.090 -5.347 648 1HE LYS 111 1HE LYS 111 -11.998 9.011 -6.225 649 2HE LYS 111 2HE LYS 111 -12.330 8.282 -4.656 650 1HZ LYS 111 1HZ LYS 111 -12.807 10.396 -3.734 651 2HZ LYS 111 2HZ LYS 111 -13.663 10.295 -5.191 652 3HZ LYS 111 3HZ LYS 111 -12.240 11.214 -5.107 653 H ALA 112 H ALA 112 -8.091 4.641 -5.677 654 HA ALA 112 HA ALA 112 -7.392 4.286 -8.347 655 1HB ALA 112 1HB ALA 112 -9.433 2.794 -6.709 656 2HB ALA 112 2HB ALA 112 -7.712 2.429 -6.818 657 3HB ALA 112 3HB ALA 112 -8.744 2.244 -8.235 658 H LEU 113 H LEU 113 -8.587 4.264 -10.242 659 HA LEU 113 HA LEU 113 -10.587 6.286 -10.424 660 1HB LEU 113 1HB LEU 113 -9.716 4.292 -12.516 661 2HB LEU 113 2HB LEU 113 -10.624 5.766 -12.800 662 HG LEU 113 HG LEU 113 -7.770 5.599 -11.835 663 1HD1 LEU 113 1HD1 LEU 113 -8.946 6.515 -14.455 664 2HD1 LEU 113 2HD1 LEU 113 -8.014 5.042 -14.190 665 3HD1 LEU 113 3HD1 LEU 113 -7.246 6.618 -14.001 666 1HD2 LEU 113 1HD2 LEU 113 -8.944 7.498 -10.846 667 2HD2 LEU 113 2HD2 LEU 113 -9.479 8.006 -12.447 668 3HD2 LEU 113 3HD2 LEU 113 -7.762 8.032 -12.041 669 H SER 114 H SER 114 -10.722 3.029 -9.645 670 HA SER 114 HA SER 114 -13.282 2.385 -10.713 671 1HB SER 114 1HB SER 114 -13.082 0.604 -8.777 672 2HB SER 114 2HB SER 114 -12.049 0.490 -10.202 673 HG SER 114 HG SER 114 -11.376 0.956 -7.596 674 H GLY 115 H GLY 115 -12.142 3.943 -7.786 675 1HA GLY 115 1HA GLY 115 -14.092 5.506 -7.072 676 2HA GLY 115 2HA GLY 115 -14.868 3.974 -6.695 677 H ASP 116 H ASP 116 -14.841 3.595 -4.596 678 HA ASP 116 HA ASP 116 -13.042 4.973 -2.847 679 1HB ASP 116 1HB ASP 116 -15.465 4.408 -2.346 680 2HB ASP 116 2HB ASP 116 -14.934 2.750 -2.077 681 H SER 117 H SER 117 -11.090 4.185 -3.655 682 HA SER 117 HA SER 117 -9.950 2.014 -2.221 683 1HB SER 117 1HB SER 117 -9.224 0.866 -4.423 684 2HB SER 117 2HB SER 117 -10.823 0.523 -3.776 685 HG SER 117 HG SER 117 -10.913 2.688 -5.365 686 H TYR 118 H TYR 118 -7.619 1.941 -2.609 687 HA TYR 118 HA TYR 118 -6.576 4.236 -4.116 688 1HB TYR 118 1HB TYR 118 -5.729 3.728 -1.254 689 2HB TYR 118 2HB TYR 118 -5.299 5.094 -2.283 690 HD1 TYR 118 HD1 TYR 118 -7.670 3.751 0.033 691 HD2 TYR 118 HD2 TYR 118 -7.028 6.752 -2.884 692 HE1 TYR 118 HE1 TYR 118 -9.575 5.021 0.944 693 HE2 TYR 118 HE2 TYR 118 -8.934 8.042 -1.999 694 HH TYR 118 HH TYR 118 -10.314 7.480 0.965 695 H TRP 119 H TRP 119 -4.608 3.868 -5.069 696 HA TRP 119 HA TRP 119 -3.555 1.184 -4.896 697 1HB TRP 119 1HB TRP 119 -2.774 3.618 -6.496 698 2HB TRP 119 2HB TRP 119 -1.920 2.068 -6.597 699 HD1 TRP 119 HD1 TRP 119 -5.548 3.401 -7.158 700 HE1 TRP 119 HE1 TRP 119 -6.531 2.077 -9.156 701 HE3 TRP 119 HE3 TRP 119 -1.630 0.271 -8.055 702 HZ2 TRP 119 HZ2 TRP 119 -5.722 -0.024 -10.866 703 HZ3 TRP 119 HZ3 TRP 119 -1.787 -1.343 -9.859 704 HH2 TRP 119 HH2 TRP 119 -3.793 -1.504 -11.260 705 H VAL 120 H VAL 120 -1.289 0.822 -4.674 706 HA VAL 120 HA VAL 120 0.194 2.767 -3.042 707 HB VAL 120 HB VAL 120 0.012 -0.072 -2.601 708 1HG1 VAL 120 1HG1 VAL 120 1.419 2.162 -1.130 709 2HG1 VAL 120 2HG1 VAL 120 2.192 0.876 -2.056 710 3HG1 VAL 120 3HG1 VAL 120 1.306 0.489 -0.581 711 1HG2 VAL 120 1HG2 VAL 120 -1.163 2.226 -1.059 712 2HG2 VAL 120 2HG2 VAL 120 -1.115 0.545 -0.525 713 3HG2 VAL 120 3HG2 VAL 120 -2.056 0.991 -1.949 714 H PHE 121 H PHE 121 1.597 3.219 -4.747 715 HA PHE 121 HA PHE 121 3.188 0.962 -5.769 716 1HB PHE 121 1HB PHE 121 3.278 3.871 -6.573 717 2HB PHE 121 2HB PHE 121 4.176 2.568 -7.322 718 HD1 PHE 121 HD1 PHE 121 0.996 4.283 -7.117 719 HD2 PHE 121 HD2 PHE 121 3.015 0.877 -8.670 720 HE1 PHE 121 HE1 PHE 121 -0.840 3.928 -8.712 721 HE2 PHE 121 HE2 PHE 121 1.178 0.512 -10.267 722 HZ PHE 121 HZ PHE 121 -0.752 2.039 -10.289 723 H VAL 122 H VAL 122 4.642 0.451 -4.202 724 HA VAL 122 HA VAL 122 6.222 2.610 -2.997 725 HB VAL 122 HB VAL 122 7.209 0.818 -1.773 726 1HG1 VAL 122 1HG1 VAL 122 4.289 1.530 -1.529 727 2HG1 VAL 122 2HG1 VAL 122 5.655 2.415 -0.851 728 3HG1 VAL 122 3HG1 VAL 122 5.262 0.807 -0.248 729 1HG2 VAL 122 1HG2 VAL 122 4.761 -0.683 -2.673 730 2HG2 VAL 122 2HG2 VAL 122 5.997 -1.217 -1.535 731 3HG2 VAL 122 3HG2 VAL 122 6.395 -1.025 -3.242 732 H LYS 123 H LYS 123 7.948 3.204 -4.151 733 HA LYS 123 HA LYS 123 9.200 1.159 -5.828 734 1HB LYS 123 1HB LYS 123 9.048 4.144 -6.224 735 2HB LYS 123 2HB LYS 123 9.957 3.049 -7.255 736 1HG LYS 123 1HG LYS 123 7.906 1.923 -7.905 737 2HG LYS 123 2HG LYS 123 6.977 2.972 -6.829 738 1HD LYS 123 1HD LYS 123 7.698 4.925 -8.120 739 2HD LYS 123 2HD LYS 123 8.616 3.873 -9.196 740 1HE LYS 123 1HE LYS 123 5.635 3.709 -8.779 741 2HE LYS 123 2HE LYS 123 6.410 4.581 -10.099 742 1HZ LYS 123 1HZ LYS 123 5.722 2.417 -10.837 743 2HZ LYS 123 2HZ LYS 123 6.570 1.661 -9.587 744 3HZ LYS 123 3HZ LYS 123 7.417 2.472 -10.810 745 H ARG 124 H ARG 124 10.967 0.428 -4.858 746 HA ARG 124 HA ARG 124 12.725 2.364 -3.548 747 1HB ARG 124 1HB ARG 124 13.703 0.600 -2.335 748 2HB ARG 124 2HB ARG 124 11.989 0.240 -2.338 749 1HG ARG 124 1HG ARG 124 12.820 -1.826 -2.775 750 2HG ARG 124 2HG ARG 124 12.656 -1.232 -4.428 751 1HD ARG 124 1HD ARG 124 14.985 -0.675 -4.527 752 2HD ARG 124 2HD ARG 124 15.189 -1.008 -2.810 753 HE ARG 124 HE ARG 124 14.291 -3.364 -3.935 754 1HH1 ARG 124 1HH1 ARG 124 17.037 -1.222 -4.424 755 2HH1 ARG 124 2HH1 ARG 124 18.133 -2.529 -4.795 756 1HH2 ARG 124 1HH2 ARG 124 15.730 -5.054 -4.448 757 2HH2 ARG 124 2HH2 ARG 124 17.385 -4.692 -4.849 758 H VAL 125 H VAL 125 14.805 2.667 -4.209 759 HA VAL 125 HA VAL 125 15.352 1.981 -6.938 760 HB VAL 125 HB VAL 125 15.938 3.980 -6.237 761 1HG1 VAL 125 1HG1 VAL 125 17.889 4.182 -4.593 762 2HG1 VAL 125 2HG1 VAL 125 17.419 2.570 -4.051 763 3HG1 VAL 125 3HG1 VAL 125 16.277 3.910 -3.939 764 1HG2 VAL 125 1HG2 VAL 125 17.323 2.968 -7.916 765 2HG2 VAL 125 2HG2 VAL 125 18.346 2.245 -6.677 766 3HG2 VAL 125 3HG2 VAL 125 18.294 3.997 -6.865 767 H2 HC4 169 H2 HC4 169 -7.122 -6.690 11.912 768 H3 HC4 169 H3 HC4 169 -8.724 -7.518 13.127 769 H2' HC4 169 H2' HC4 169 -10.385 -7.623 14.896 770 H3' HC4 169 H3' HC4 169 -11.197 -7.102 17.153 771 H5' HC4 169 H5' HC4 169 -8.171 -4.136 17.532 772 H6' HC4 169 H6' HC4 169 -7.301 -4.750 15.332 773 'HO4 HC4 169 'HO4 HC4 169 -10.439 -6.025 19.210 Start of MODEL 13 1 H LEU 26 H LEU 26 12.100 -9.302 -0.695 2 HA LEU 26 HA LEU 26 9.889 -10.031 -1.437 3 1HB LEU 26 1HB LEU 26 10.328 -7.041 -1.329 4 2HB LEU 26 2HB LEU 26 8.787 -7.845 -1.089 5 HG LEU 26 HG LEU 26 11.214 -8.128 0.691 6 1HD1 LEU 26 1HD1 LEU 26 10.174 -5.935 0.887 7 2HD1 LEU 26 2HD1 LEU 26 9.864 -6.904 2.327 8 3HD1 LEU 26 3HD1 LEU 26 8.598 -6.689 1.119 9 1HD2 LEU 26 1HD2 LEU 26 8.425 -9.250 0.949 10 2HD2 LEU 26 2HD2 LEU 26 9.679 -9.331 2.186 11 3HD2 LEU 26 3HD2 LEU 26 9.901 -10.171 0.652 12 H ALA 27 H ALA 27 7.998 -8.954 -2.781 13 HA ALA 27 HA ALA 27 8.947 -8.888 -5.561 14 1HB ALA 27 1HB ALA 27 7.288 -10.611 -4.993 15 2HB ALA 27 2HB ALA 27 6.669 -9.470 -6.188 16 3HB ALA 27 3HB ALA 27 6.158 -9.350 -4.504 17 H PHE 28 H PHE 28 9.375 -6.851 -6.151 18 HA PHE 28 HA PHE 28 7.872 -4.642 -5.049 19 1HB PHE 28 1HB PHE 28 10.324 -4.930 -6.704 20 2HB PHE 28 2HB PHE 28 9.430 -3.419 -6.842 21 HD1 PHE 28 HD1 PHE 28 10.184 -1.719 -5.526 22 HD2 PHE 28 HD2 PHE 28 10.527 -5.713 -4.093 23 HE1 PHE 28 HE1 PHE 28 11.238 -0.889 -3.462 24 HE2 PHE 28 HE2 PHE 28 11.579 -4.887 -2.031 25 HZ PHE 28 HZ PHE 28 11.934 -2.474 -1.711 26 H GLY 29 H GLY 29 6.310 -3.506 -5.984 27 1HA GLY 29 1HA GLY 29 5.877 -3.219 -8.740 28 2HA GLY 29 2HA GLY 29 4.867 -4.535 -8.151 29 H ALA 30 H ALA 30 2.958 -3.427 -8.539 30 HA ALA 30 HA ALA 30 2.443 -1.114 -6.758 31 1HB ALA 30 1HB ALA 30 1.272 -1.623 -9.505 32 2HB ALA 30 2HB ALA 30 2.536 -0.451 -9.131 33 3HB ALA 30 3HB ALA 30 0.919 -0.249 -8.456 34 H ILE 31 H ILE 31 0.977 -1.669 -5.233 35 HA ILE 31 HA ILE 31 -1.021 -3.691 -5.970 36 HB ILE 31 HB ILE 31 0.189 -4.514 -4.437 37 1HG1 ILE 31 1HG1 ILE 31 -2.349 -4.447 -4.108 38 2HG1 ILE 31 2HG1 ILE 31 -1.306 -5.189 -2.919 39 1HG2 ILE 31 1HG2 ILE 31 0.005 -1.941 -2.908 40 2HG2 ILE 31 2HG2 ILE 31 1.446 -2.659 -3.627 41 3HG2 ILE 31 3HG2 ILE 31 0.665 -3.439 -2.253 42 1HD1 ILE 31 1HD1 ILE 31 -2.500 -2.431 -2.726 43 2HD1 ILE 31 2HD1 ILE 31 -1.450 -3.191 -1.531 44 3HD1 ILE 31 3HD1 ILE 31 -3.047 -3.865 -1.857 45 H GLN 32 H GLN 32 -3.129 -3.300 -5.707 46 HA GLN 32 HA GLN 32 -3.845 -0.609 -4.779 47 1HB GLN 32 1HB GLN 32 -5.875 -0.787 -6.135 48 2HB GLN 32 2HB GLN 32 -4.423 -0.944 -7.107 49 1HG GLN 32 1HG GLN 32 -4.782 -3.162 -7.548 50 2HG GLN 32 2HG GLN 32 -5.826 -3.391 -6.141 51 1HE2 GLN 32 1HE2 GLN 32 -7.981 -2.675 -6.259 52 2HE2 GLN 32 2HE2 GLN 32 -8.752 -2.372 -7.775 53 H LEU 33 H LEU 33 -4.986 -0.411 -3.045 54 HA LEU 33 HA LEU 33 -6.466 -2.774 -2.066 55 1HB LEU 33 1HB LEU 33 -6.077 -1.876 0.225 56 2HB LEU 33 2HB LEU 33 -4.639 -2.455 -0.587 57 HG LEU 33 HG LEU 33 -4.230 0.031 -1.182 58 1HD1 LEU 33 1HD1 LEU 33 -5.114 1.610 0.477 59 2HD1 LEU 33 2HD1 LEU 33 -6.154 0.337 1.120 60 3HD1 LEU 33 3HD1 LEU 33 -6.385 0.915 -0.530 61 1HD2 LEU 33 1HD2 LEU 33 -3.970 -0.987 1.641 62 2HD2 LEU 33 2HD2 LEU 33 -3.098 0.387 0.963 63 3HD2 LEU 33 3HD2 LEU 33 -2.826 -1.234 0.321 64 H ASP 34 H ASP 34 -8.378 -2.283 -0.822 65 HA ASP 34 HA ASP 34 -9.749 0.021 -1.962 66 1HB ASP 34 1HB ASP 34 -11.758 -0.823 -0.740 67 2HB ASP 34 2HB ASP 34 -11.076 -1.972 -1.884 68 H GLY 35 H GLY 35 -10.822 1.599 -0.733 69 1HA GLY 35 1HA GLY 35 -9.074 2.665 1.267 70 2HA GLY 35 2HA GLY 35 -10.557 3.401 0.681 71 H ASP 36 H ASP 36 -11.186 0.286 1.607 72 HA ASP 36 HA ASP 36 -12.485 1.213 4.035 73 1HB ASP 36 1HB ASP 36 -13.650 -0.197 2.306 74 2HB ASP 36 2HB ASP 36 -12.577 -1.518 2.754 75 H GLY 37 H GLY 37 -10.056 -1.088 2.948 76 1HA GLY 37 1HA GLY 37 -8.099 -0.987 4.626 77 2HA GLY 37 2HA GLY 37 -9.307 -1.579 5.759 78 H ASN 38 H ASN 38 -8.971 -2.488 2.374 79 HA ASN 38 HA ASN 38 -8.096 -5.173 3.181 80 1HB ASN 38 1HB ASN 38 -10.381 -4.668 1.266 81 2HB ASN 38 2HB ASN 38 -9.799 -6.228 1.834 82 1HD2 ASN 38 1HD2 ASN 38 -11.651 -3.411 2.574 83 2HD2 ASN 38 2HD2 ASN 38 -12.406 -4.025 4.014 84 H ILE 39 H ILE 39 -7.111 -6.371 1.512 85 HA ILE 39 HA ILE 39 -5.848 -4.695 -0.526 86 HB ILE 39 HB ILE 39 -5.419 -7.410 0.344 87 1HG1 ILE 39 1HG1 ILE 39 -4.991 -5.777 2.097 88 2HG1 ILE 39 2HG1 ILE 39 -3.502 -6.502 1.510 89 1HG2 ILE 39 1HG2 ILE 39 -3.290 -7.157 -0.867 90 2HG2 ILE 39 2HG2 ILE 39 -3.825 -5.587 -1.465 91 3HG2 ILE 39 3HG2 ILE 39 -4.679 -7.053 -1.950 92 1HD1 ILE 39 1HD1 ILE 39 -4.546 -3.771 0.806 93 2HD1 ILE 39 2HD1 ILE 39 -3.067 -4.496 0.176 94 3HD1 ILE 39 3HD1 ILE 39 -3.211 -4.136 1.898 95 H LEU 40 H LEU 40 -6.450 -4.838 -2.622 96 HA LEU 40 HA LEU 40 -8.418 -6.910 -3.274 97 1HB LEU 40 1HB LEU 40 -9.148 -4.560 -3.441 98 2HB LEU 40 2HB LEU 40 -7.902 -4.271 -4.640 99 HG LEU 40 HG LEU 40 -8.994 -5.790 -6.197 100 1HD1 LEU 40 1HD1 LEU 40 -11.076 -6.146 -4.047 101 2HD1 LEU 40 2HD1 LEU 40 -9.904 -7.362 -4.553 102 3HD1 LEU 40 3HD1 LEU 40 -11.139 -6.805 -5.681 103 1HD2 LEU 40 1HD2 LEU 40 -10.906 -3.805 -4.975 104 2HD2 LEU 40 2HD2 LEU 40 -11.047 -4.512 -6.586 105 3HD2 LEU 40 3HD2 LEU 40 -9.687 -3.457 -6.200 106 H GLN 41 H GLN 41 -5.653 -5.198 -4.757 107 HA GLN 41 HA GLN 41 -5.108 -7.622 -6.319 108 1HB GLN 41 1HB GLN 41 -6.520 -6.321 -7.782 109 2HB GLN 41 2HB GLN 41 -5.548 -4.885 -7.510 110 1HG GLN 41 1HG GLN 41 -3.647 -5.991 -8.619 111 2HG GLN 41 2HG GLN 41 -4.686 -7.376 -8.962 112 1HE2 GLN 41 1HE2 GLN 41 -7.032 -5.704 -9.418 113 2HE2 GLN 41 2HE2 GLN 41 -6.800 -4.953 -10.960 114 H TYR 42 H TYR 42 -3.037 -8.108 -6.193 115 HA TYR 42 HA TYR 42 -1.091 -5.967 -5.616 116 1HB TYR 42 1HB TYR 42 -1.424 -7.661 -3.803 117 2HB TYR 42 2HB TYR 42 -0.909 -8.912 -4.925 118 HD1 TYR 42 HD1 TYR 42 1.441 -9.111 -5.575 119 HD2 TYR 42 HD2 TYR 42 0.187 -6.145 -2.794 120 HE1 TYR 42 HE1 TYR 42 3.783 -8.739 -4.922 121 HE2 TYR 42 HE2 TYR 42 2.526 -5.767 -2.134 122 HH TYR 42 HH TYR 42 4.691 -7.069 -2.160 123 H ASN 43 H ASN 43 -0.122 -5.464 -7.524 124 HA ASN 43 HA ASN 43 0.236 -7.494 -9.550 125 1HB ASN 43 1HB ASN 43 1.033 -4.575 -9.504 126 2HB ASN 43 2HB ASN 43 1.306 -5.646 -10.872 127 1HD2 ASN 43 1HD2 ASN 43 -0.979 -3.798 -9.094 128 2HD2 ASN 43 2HD2 ASN 43 -2.314 -4.002 -10.178 129 H ALA 44 H ALA 44 1.649 -8.946 -8.711 130 HA ALA 44 HA ALA 44 4.376 -8.030 -8.135 131 1HB ALA 44 1HB ALA 44 3.154 -10.779 -7.850 132 2HB ALA 44 2HB ALA 44 3.378 -9.611 -6.548 133 3HB ALA 44 3HB ALA 44 4.781 -10.312 -7.355 134 H ALA 45 H ALA 45 2.703 -10.490 -10.047 135 HA ALA 45 HA ALA 45 4.327 -9.872 -12.361 136 1HB ALA 45 1HB ALA 45 4.275 -12.646 -11.161 137 2HB ALA 45 2HB ALA 45 5.678 -11.581 -11.267 138 3HB ALA 45 3HB ALA 45 4.947 -12.229 -12.737 139 H GLU 46 H GLU 46 2.764 -9.517 -13.820 140 HA GLU 46 HA GLU 46 0.143 -10.495 -13.625 141 1HB GLU 46 1HB GLU 46 1.532 -9.570 -16.148 142 2HB GLU 46 2HB GLU 46 -0.202 -9.629 -15.869 143 1HG GLU 46 1HG GLU 46 0.144 -7.427 -15.498 144 2HG GLU 46 2HG GLU 46 0.450 -8.020 -13.866 145 H GLY 47 H GLY 47 -0.696 -12.422 -14.028 146 1HA GLY 47 1HA GLY 47 -1.089 -14.343 -15.345 147 2HA GLY 47 2HA GLY 47 0.459 -14.092 -16.142 148 H ASP 48 H ASP 48 0.444 -13.823 -12.737 149 HA ASP 48 HA ASP 48 1.980 -16.293 -12.523 150 1HB ASP 48 1HB ASP 48 2.566 -13.952 -11.481 151 2HB ASP 48 2HB ASP 48 1.440 -14.448 -10.223 152 H ILE 49 H ILE 49 1.048 -18.130 -11.876 153 HA ILE 49 HA ILE 49 -1.639 -17.889 -10.707 154 HB ILE 49 HB ILE 49 -1.981 -20.044 -11.550 155 1HG1 ILE 49 1HG1 ILE 49 0.490 -19.409 -13.163 156 2HG1 ILE 49 2HG1 ILE 49 0.377 -20.665 -11.934 157 1HG2 ILE 49 1HG2 ILE 49 -2.473 -19.148 -13.773 158 2HG2 ILE 49 2HG2 ILE 49 -1.438 -17.759 -13.441 159 3HG2 ILE 49 3HG2 ILE 49 -2.910 -18.008 -12.501 160 1HD1 ILE 49 1HD1 ILE 49 -1.277 -21.837 -13.261 161 2HD1 ILE 49 2HD1 ILE 49 0.193 -21.560 -14.197 162 3HD1 ILE 49 3HD1 ILE 49 -1.233 -20.558 -14.472 163 H THR 50 H THR 50 0.658 -17.927 -9.074 164 HA THR 50 HA THR 50 0.491 -20.567 -7.833 165 HB THR 50 HB THR 50 2.543 -19.510 -8.156 166 HG1 THR 50 HG1 THR 50 1.771 -21.013 -6.313 167 1HG2 THR 50 1HG2 THR 50 1.508 -17.609 -6.067 168 2HG2 THR 50 2HG2 THR 50 1.979 -17.203 -7.718 169 3HG2 THR 50 3HG2 THR 50 3.192 -17.760 -6.569 170 H GLY 51 H GLY 51 0.117 -20.630 -5.432 171 1HA GLY 51 1HA GLY 51 -2.107 -18.800 -4.840 172 2HA GLY 51 2HA GLY 51 -1.880 -20.397 -4.143 173 H ARG 52 H ARG 52 -1.160 -17.035 -3.886 174 HA ARG 52 HA ARG 52 0.501 -17.452 -1.523 175 1HB ARG 52 1HB ARG 52 -0.563 -14.878 -2.715 176 2HB ARG 52 2HB ARG 52 0.620 -14.999 -1.422 177 1HG ARG 52 1HG ARG 52 2.140 -16.171 -3.019 178 2HG ARG 52 2HG ARG 52 0.972 -15.825 -4.296 179 1HD ARG 52 1HD ARG 52 1.191 -13.417 -3.780 180 2HD ARG 52 2HD ARG 52 2.442 -13.809 -2.602 181 HE ARG 52 HE ARG 52 2.670 -14.244 -5.522 182 1HH1 ARG 52 1HH1 ARG 52 4.126 -13.721 -2.369 183 2HH1 ARG 52 2HH1 ARG 52 5.719 -13.422 -3.013 184 1HH2 ARG 52 1HH2 ARG 52 4.770 -13.857 -6.367 185 2HH2 ARG 52 2HH2 ARG 52 6.074 -13.501 -5.274 186 H ASP 53 H ASP 53 -0.448 -17.846 0.381 187 HA ASP 53 HA ASP 53 -3.274 -17.919 0.531 188 1HB ASP 53 1HB ASP 53 -3.036 -18.910 2.648 189 2HB ASP 53 2HB ASP 53 -1.644 -19.459 1.725 190 HA PRO 54 HA PRO 54 -4.108 -13.818 1.828 191 1HB PRO 54 1HB PRO 54 -6.813 -14.692 2.421 192 2HB PRO 54 2HB PRO 54 -6.235 -13.707 1.076 193 1HG PRO 54 1HG PRO 54 -7.181 -16.240 0.775 194 2HG PRO 54 2HG PRO 54 -5.978 -15.514 -0.306 195 1HD PRO 54 1HD PRO 54 -5.575 -17.428 1.966 196 2HD PRO 54 2HD PRO 54 -4.802 -17.392 0.367 197 H LYS 55 H LYS 55 -3.395 -16.038 3.956 198 HA LYS 55 HA LYS 55 -4.949 -14.998 6.198 199 1HB LYS 55 1HB LYS 55 -2.822 -17.145 6.228 200 2HB LYS 55 2HB LYS 55 -3.940 -16.764 7.529 201 1HG LYS 55 1HG LYS 55 -5.808 -17.408 5.986 202 2HG LYS 55 2HG LYS 55 -4.584 -17.990 4.859 203 1HD LYS 55 1HD LYS 55 -5.019 -18.963 7.680 204 2HD LYS 55 2HD LYS 55 -5.478 -19.814 6.204 205 1HE LYS 55 1HE LYS 55 -2.669 -19.125 7.078 206 2HE LYS 55 2HE LYS 55 -3.417 -20.722 7.129 207 1HZ LYS 55 1HZ LYS 55 -2.067 -20.628 5.203 208 2HZ LYS 55 2HZ LYS 55 -2.703 -19.133 4.728 209 3HZ LYS 55 3HZ LYS 55 -3.674 -20.527 4.662 210 H GLN 56 H GLN 56 -2.969 -13.460 4.706 211 HA GLN 56 HA GLN 56 -1.196 -12.725 6.937 212 1HB GLN 56 1HB GLN 56 -0.484 -12.692 3.995 213 2HB GLN 56 2HB GLN 56 0.556 -12.168 5.311 214 1HG GLN 56 1HG GLN 56 0.804 -14.375 6.115 215 2HG GLN 56 2HG GLN 56 -0.486 -14.975 5.071 216 1HE2 GLN 56 1HE2 GLN 56 -0.089 -15.261 2.875 217 2HE2 GLN 56 2HE2 GLN 56 1.518 -15.318 2.236 218 H VAL 57 H VAL 57 -1.403 -11.288 3.763 219 HA VAL 57 HA VAL 57 -2.834 -8.970 4.826 220 HB VAL 57 HB VAL 57 -1.375 -7.644 3.446 221 1HG1 VAL 57 1HG1 VAL 57 0.151 -7.403 5.362 222 2HG1 VAL 57 2HG1 VAL 57 -0.473 -8.913 6.026 223 3HG1 VAL 57 3HG1 VAL 57 -1.536 -7.516 5.861 224 1HG2 VAL 57 1HG2 VAL 57 0.303 -10.118 3.754 225 2HG2 VAL 57 2HG2 VAL 57 0.975 -8.516 3.468 226 3HG2 VAL 57 3HG2 VAL 57 -0.090 -9.246 2.270 227 H ILE 58 H ILE 58 -1.542 -10.585 1.938 228 HA ILE 58 HA ILE 58 -3.271 -9.158 0.154 229 HB ILE 58 HB ILE 58 -1.201 -9.992 -0.404 230 1HG1 ILE 58 1HG1 ILE 58 -3.532 -11.103 -1.961 231 2HG1 ILE 58 2HG1 ILE 58 -2.858 -9.484 -2.110 232 1HG2 ILE 58 1HG2 ILE 58 -1.185 -12.075 0.830 233 2HG2 ILE 58 2HG2 ILE 58 -0.950 -12.388 -0.888 234 3HG2 ILE 58 3HG2 ILE 58 -2.519 -12.692 -0.144 235 1HD1 ILE 58 1HD1 ILE 58 -2.120 -10.909 -3.923 236 2HD1 ILE 58 2HD1 ILE 58 -1.440 -12.055 -2.767 237 3HD1 ILE 58 3HD1 ILE 58 -0.757 -10.435 -2.910 238 H GLY 59 H GLY 59 -5.037 -10.045 -1.013 239 1HA GLY 59 1HA GLY 59 -6.854 -11.449 -1.371 240 2HA GLY 59 2HA GLY 59 -6.143 -12.602 -0.251 241 H LYS 60 H LYS 60 -6.209 -9.547 1.070 242 HA LYS 60 HA LYS 60 -8.245 -10.271 2.977 243 1HB LYS 60 1HB LYS 60 -6.279 -9.152 3.787 244 2HB LYS 60 2HB LYS 60 -6.447 -7.867 2.605 245 1HG LYS 60 1HG LYS 60 -7.026 -7.097 4.825 246 2HG LYS 60 2HG LYS 60 -8.429 -7.051 3.760 247 1HD LYS 60 1HD LYS 60 -9.443 -8.856 4.815 248 2HD LYS 60 2HD LYS 60 -7.927 -9.416 5.526 249 1HE LYS 60 1HE LYS 60 -9.504 -8.357 7.152 250 2HE LYS 60 2HE LYS 60 -7.910 -7.611 7.088 251 1HZ LYS 60 1HZ LYS 60 -10.299 -6.561 5.658 252 2HZ LYS 60 2HZ LYS 60 -8.786 -5.813 5.796 253 3HZ LYS 60 3HZ LYS 60 -9.761 -6.002 7.164 254 H ASN 61 H ASN 61 -10.324 -10.130 2.240 255 HA ASN 61 HA ASN 61 -11.212 -7.474 1.386 256 1HB ASN 61 1HB ASN 61 -11.591 -10.005 -0.185 257 2HB ASN 61 2HB ASN 61 -12.796 -8.726 -0.269 258 1HD2 ASN 61 1HD2 ASN 61 -10.958 -6.530 -0.095 259 2HD2 ASN 61 2HD2 ASN 61 -10.076 -6.486 -1.576 260 H PHE 62 H PHE 62 -12.271 -7.128 3.275 261 HA PHE 62 HA PHE 62 -14.799 -8.513 3.586 262 1HB PHE 62 1HB PHE 62 -13.029 -9.721 5.004 263 2HB PHE 62 2HB PHE 62 -12.972 -8.258 5.980 264 HD1 PHE 62 HD1 PHE 62 -14.406 -8.042 7.780 265 HD2 PHE 62 HD2 PHE 62 -15.374 -10.779 4.673 266 HE1 PHE 62 HE1 PHE 62 -16.313 -8.861 9.102 267 HE2 PHE 62 HE2 PHE 62 -17.283 -11.603 5.987 268 HZ PHE 62 HZ PHE 62 -17.754 -10.644 8.205 269 H PHE 63 H PHE 63 -16.056 -6.767 3.375 270 HA PHE 63 HA PHE 63 -15.062 -4.169 4.252 271 1HB PHE 63 1HB PHE 63 -17.449 -4.937 2.565 272 2HB PHE 63 2HB PHE 63 -16.964 -3.281 2.917 273 HD1 PHE 63 HD1 PHE 63 -15.119 -2.262 1.776 274 HD2 PHE 63 HD2 PHE 63 -16.074 -6.359 1.126 275 HE1 PHE 63 HE1 PHE 63 -13.626 -2.294 -0.179 276 HE2 PHE 63 HE2 PHE 63 -14.582 -6.397 -0.831 277 HZ PHE 63 HZ PHE 63 -13.367 -4.338 -1.492 278 H LYS 64 H LYS 64 -16.409 -6.348 6.004 279 HA LYS 64 HA LYS 64 -18.311 -4.505 7.296 280 1HB LYS 64 1HB LYS 64 -18.463 -7.517 7.090 281 2HB LYS 64 2HB LYS 64 -19.453 -6.570 8.189 282 1HG LYS 64 1HG LYS 64 -19.450 -6.342 5.187 283 2HG LYS 64 2HG LYS 64 -20.665 -7.165 6.164 284 1HD LYS 64 1HD LYS 64 -20.015 -4.218 6.199 285 2HD LYS 64 2HD LYS 64 -21.467 -4.969 5.533 286 1HE LYS 64 1HE LYS 64 -22.067 -5.767 7.771 287 2HE LYS 64 2HE LYS 64 -20.624 -4.996 8.431 288 1HZ LYS 64 1HZ LYS 64 -21.573 -2.868 7.456 289 2HZ LYS 64 2HZ LYS 64 -22.347 -3.498 8.827 290 3HZ LYS 64 3HZ LYS 64 -23.037 -3.718 7.292 291 H ASP 65 H ASP 65 -18.426 -4.643 9.612 292 HA ASP 65 HA ASP 65 -17.751 -5.079 11.743 293 1HB ASP 65 1HB ASP 65 -17.503 -7.432 11.132 294 2HB ASP 65 2HB ASP 65 -15.901 -7.115 10.482 295 H VAL 66 H VAL 66 -14.944 -5.163 9.568 296 HA VAL 66 HA VAL 66 -12.954 -4.097 9.562 297 HB VAL 66 HB VAL 66 -14.341 -1.956 10.876 298 1HG1 VAL 66 1HG1 VAL 66 -12.101 -2.129 8.857 299 2HG1 VAL 66 2HG1 VAL 66 -11.933 -1.692 10.557 300 3HG1 VAL 66 3HG1 VAL 66 -12.826 -0.638 9.460 301 1HG2 VAL 66 1HG2 VAL 66 -14.416 -2.763 7.978 302 2HG2 VAL 66 2HG2 VAL 66 -15.059 -1.269 8.661 303 3HG2 VAL 66 3HG2 VAL 66 -15.772 -2.819 9.106 304 H ALA 67 H ALA 67 -13.122 -5.783 11.661 305 HA ALA 67 HA ALA 67 -11.677 -4.345 13.770 306 1HB ALA 67 1HB ALA 67 -12.745 -7.168 13.808 307 2HB ALA 67 2HB ALA 67 -13.483 -5.766 14.582 308 3HB ALA 67 3HB ALA 67 -11.918 -6.355 15.139 309 HA PRO 68 HA PRO 68 -8.499 -7.638 12.123 310 1HB PRO 68 1HB PRO 68 -9.089 -8.691 9.675 311 2HB PRO 68 2HB PRO 68 -9.456 -9.510 11.197 312 1HG PRO 68 1HG PRO 68 -11.252 -7.870 9.452 313 2HG PRO 68 2HG PRO 68 -11.584 -9.418 10.254 314 1HD PRO 68 1HD PRO 68 -12.465 -7.092 11.263 315 2HD PRO 68 2HD PRO 68 -11.924 -8.415 12.315 316 H CYS 69 H CYS 69 -7.268 -5.857 11.793 317 HA CYS 69 HA CYS 69 -7.345 -4.640 9.122 318 1HB CYS 69 1HB CYS 69 -6.950 -2.407 10.184 319 2HB CYS 69 2HB CYS 69 -8.542 -3.082 10.517 320 H THR 70 H THR 70 -5.443 -4.831 8.207 321 HA THR 70 HA THR 70 -3.078 -5.370 9.790 322 HB THR 70 HB THR 70 -2.108 -5.294 7.563 323 HG1 THR 70 HG1 THR 70 -3.816 -4.343 6.438 324 1HG2 THR 70 1HG2 THR 70 -2.861 -7.590 7.228 325 2HG2 THR 70 2HG2 THR 70 -4.151 -7.339 8.403 326 3HG2 THR 70 3HG2 THR 70 -2.467 -7.284 8.920 327 H ASP 71 H ASP 71 -3.768 -2.980 10.535 328 HA ASP 71 HA ASP 71 -2.784 -0.881 8.833 329 1HB ASP 71 1HB ASP 71 -4.661 -0.411 10.296 330 2HB ASP 71 2HB ASP 71 -3.716 -0.855 11.712 331 H SER 72 H SER 72 -0.650 -1.121 8.470 332 HA SER 72 HA SER 72 1.091 -0.741 10.801 333 1HB SER 72 1HB SER 72 1.173 -3.115 9.927 334 2HB SER 72 2HB SER 72 1.804 -2.463 8.415 335 HG SER 72 HG SER 72 3.693 -2.157 9.321 336 HA PRO 73 HA PRO 73 2.329 2.748 8.331 337 1HB PRO 73 1HB PRO 73 4.533 3.011 10.246 338 2HB PRO 73 2HB PRO 73 3.186 4.107 9.936 339 1HG PRO 73 1HG PRO 73 3.374 2.678 12.211 340 2HG PRO 73 2HG PRO 73 1.812 3.062 11.465 341 1HD PRO 73 1HD PRO 73 3.384 0.514 11.365 342 2HD PRO 73 2HD PRO 73 1.636 0.752 11.577 343 H GLU 74 H GLU 74 3.070 0.502 7.088 344 HA GLU 74 HA GLU 74 5.863 0.058 6.890 345 1HB GLU 74 1HB GLU 74 3.803 -0.415 4.726 346 2HB GLU 74 2HB GLU 74 5.349 -1.225 4.919 347 1HG GLU 74 1HG GLU 74 3.045 -1.445 6.841 348 2HG GLU 74 2HG GLU 74 3.415 -2.606 5.570 349 H PHE 75 H PHE 75 3.674 1.562 4.519 350 HA PHE 75 HA PHE 75 5.674 3.638 3.993 351 1HB PHE 75 1HB PHE 75 4.292 1.973 1.868 352 2HB PHE 75 2HB PHE 75 5.261 3.406 1.547 353 HD1 PHE 75 HD1 PHE 75 5.280 -0.131 2.076 354 HD2 PHE 75 HD2 PHE 75 7.709 3.364 2.165 355 HE1 PHE 75 HE1 PHE 75 7.293 -1.534 1.941 356 HE2 PHE 75 HE2 PHE 75 9.729 1.964 2.027 357 HZ PHE 75 HZ PHE 75 9.525 -0.486 1.915 358 H TYR 76 H TYR 76 3.083 3.448 5.410 359 HA TYR 76 HA TYR 76 0.996 4.539 3.853 360 1HB TYR 76 1HB TYR 76 1.492 4.394 6.819 361 2HB TYR 76 2HB TYR 76 0.074 5.201 6.164 362 HD1 TYR 76 HD1 TYR 76 1.085 2.455 4.152 363 HD2 TYR 76 HD2 TYR 76 -1.086 3.438 7.676 364 HE1 TYR 76 HE1 TYR 76 -0.074 0.287 4.040 365 HE2 TYR 76 HE2 TYR 76 -2.246 1.276 7.575 366 HH TYR 76 HH TYR 76 -2.833 -0.418 5.896 367 H GLY 77 H GLY 77 0.471 6.597 3.321 368 1HA GLY 77 1HA GLY 77 1.974 8.774 4.626 369 2HA GLY 77 2HA GLY 77 1.872 8.689 2.870 370 H LYS 78 H LYS 78 0.271 9.539 5.788 371 HA LYS 78 HA LYS 78 -1.661 10.654 6.255 372 1HB LYS 78 1HB LYS 78 -1.670 11.158 3.270 373 2HB LYS 78 2HB LYS 78 -2.817 11.873 4.389 374 1HG LYS 78 1HG LYS 78 -1.089 13.122 5.464 375 2HG LYS 78 2HG LYS 78 0.162 12.279 4.546 376 1HD LYS 78 1HD LYS 78 -0.617 13.247 2.487 377 2HD LYS 78 2HD LYS 78 -2.011 13.960 3.297 378 1HE LYS 78 1HE LYS 78 -0.579 15.430 4.561 379 2HE LYS 78 2HE LYS 78 0.860 14.651 3.900 380 1HZ LYS 78 1HZ LYS 78 -1.149 15.964 2.166 381 2HZ LYS 78 2HZ LYS 78 0.445 15.535 1.784 382 3HZ LYS 78 3HZ LYS 78 0.145 16.824 2.848 383 H PHE 79 H PHE 79 -1.636 7.780 5.634 384 HA PHE 79 HA PHE 79 -3.466 7.033 3.678 385 1HB PHE 79 1HB PHE 79 -1.767 5.557 4.799 386 2HB PHE 79 2HB PHE 79 -2.867 5.442 6.169 387 HD1 PHE 79 HD1 PHE 79 -4.694 3.943 6.139 388 HD2 PHE 79 HD2 PHE 79 -2.511 4.724 2.570 389 HE1 PHE 79 HE1 PHE 79 -5.887 2.110 5.010 390 HE2 PHE 79 HE2 PHE 79 -3.701 2.894 1.434 391 HZ PHE 79 HZ PHE 79 -5.393 1.591 2.650 392 H LYS 80 H LYS 80 -4.064 8.088 6.958 393 HA LYS 80 HA LYS 80 -6.707 6.898 7.029 394 1HB LYS 80 1HB LYS 80 -5.190 8.639 8.959 395 2HB LYS 80 2HB LYS 80 -6.897 8.294 9.182 396 1HG LYS 80 1HG LYS 80 -5.724 6.765 10.531 397 2HG LYS 80 2HG LYS 80 -6.297 5.852 9.136 398 1HD LYS 80 1HD LYS 80 -4.067 6.096 8.103 399 2HD LYS 80 2HD LYS 80 -3.512 6.930 9.557 400 1HE LYS 80 1HE LYS 80 -2.838 4.623 9.658 401 2HE LYS 80 2HE LYS 80 -4.080 4.914 10.874 402 1HZ LYS 80 1HZ LYS 80 -5.706 3.863 9.504 403 2HZ LYS 80 2HZ LYS 80 -4.358 2.826 9.585 404 3HZ LYS 80 3HZ LYS 80 -4.630 3.758 8.201 405 H GLU 81 H GLU 81 -5.238 10.032 6.532 406 HA GLU 81 HA GLU 81 -7.759 11.411 6.402 407 1HB GLU 81 1HB GLU 81 -5.534 12.436 7.104 408 2HB GLU 81 2HB GLU 81 -5.083 12.396 5.404 409 1HG GLU 81 1HG GLU 81 -5.877 14.585 5.945 410 2HG GLU 81 2HG GLU 81 -7.057 13.800 4.898 411 H GLY 82 H GLY 82 -5.533 9.845 4.283 412 1HA GLY 82 1HA GLY 82 -6.209 10.817 1.809 413 2HA GLY 82 2HA GLY 82 -5.619 9.213 2.134 414 H VAL 83 H VAL 83 -7.586 8.232 3.692 415 HA VAL 83 HA VAL 83 -9.427 7.321 1.725 416 HB VAL 83 HB VAL 83 -9.422 7.141 4.591 417 1HG1 VAL 83 1HG1 VAL 83 -10.942 5.605 2.481 418 2HG1 VAL 83 2HG1 VAL 83 -11.642 6.725 3.651 419 3HG1 VAL 83 3HG1 VAL 83 -10.900 5.223 4.203 420 1HG2 VAL 83 1HG2 VAL 83 -8.397 5.319 2.428 421 2HG2 VAL 83 2HG2 VAL 83 -8.460 4.943 4.150 422 3HG2 VAL 83 3HG2 VAL 83 -7.419 6.243 3.569 423 H ALA 84 H ALA 84 -9.796 9.390 4.598 424 HA ALA 84 HA ALA 84 -12.635 9.521 4.185 425 1HB ALA 84 1HB ALA 84 -10.940 10.932 6.238 426 2HB ALA 84 2HB ALA 84 -11.697 9.352 6.448 427 3HB ALA 84 3HB ALA 84 -12.699 10.791 6.255 428 H SER 85 H SER 85 -9.881 11.563 3.639 429 HA SER 85 HA SER 85 -11.423 13.874 2.936 430 1HB SER 85 1HB SER 85 -9.008 14.005 3.531 431 2HB SER 85 2HB SER 85 -8.616 13.125 2.057 432 HG SER 85 HG SER 85 -8.588 14.998 1.139 433 H GLY 86 H GLY 86 -10.456 10.942 1.388 434 1HA GLY 86 1HA GLY 86 -11.431 9.944 -0.452 435 2HA GLY 86 2HA GLY 86 -12.343 11.421 -0.734 436 H ASN 87 H ASN 87 -8.951 11.705 -0.331 437 HA ASN 87 HA ASN 87 -8.550 11.818 -3.207 438 1HB ASN 87 1HB ASN 87 -7.502 14.061 -3.095 439 2HB ASN 87 2HB ASN 87 -9.213 14.092 -2.693 440 1HD2 ASN 87 1HD2 ASN 87 -8.787 16.126 -1.712 441 2HD2 ASN 87 2HD2 ASN 87 -8.093 16.213 -0.123 442 H LEU 88 H LEU 88 -7.599 9.937 -1.529 443 HA LEU 88 HA LEU 88 -4.972 10.449 -0.624 444 1HB LEU 88 1HB LEU 88 -6.710 8.430 -0.252 445 2HB LEU 88 2HB LEU 88 -5.631 7.695 -1.425 446 HG LEU 88 HG LEU 88 -4.773 8.975 1.116 447 1HD1 LEU 88 1HD1 LEU 88 -5.152 6.055 0.469 448 2HD1 LEU 88 2HD1 LEU 88 -6.097 7.005 1.615 449 3HD1 LEU 88 3HD1 LEU 88 -4.395 6.670 1.940 450 1HD2 LEU 88 1HD2 LEU 88 -2.632 7.856 0.727 451 2HD2 LEU 88 2HD2 LEU 88 -3.035 8.962 -0.587 452 3HD2 LEU 88 3HD2 LEU 88 -3.250 7.225 -0.802 453 H ASN 89 H ASN 89 -3.959 11.495 -2.416 454 HA ASN 89 HA ASN 89 -2.589 9.437 -3.929 455 1HB ASN 89 1HB ASN 89 -2.790 10.457 -6.059 456 2HB ASN 89 2HB ASN 89 -4.415 10.452 -5.396 457 1HD2 ASN 89 1HD2 ASN 89 -5.392 12.393 -4.835 458 2HD2 ASN 89 2HD2 ASN 89 -4.777 13.916 -5.371 459 H THR 90 H THR 90 -0.638 9.594 -2.965 460 HA THR 90 HA THR 90 0.502 12.286 -2.699 461 HB THR 90 HB THR 90 1.514 11.457 -0.725 462 HG1 THR 90 HG1 THR 90 -0.127 9.827 0.207 463 1HG2 THR 90 1HG2 THR 90 -1.468 11.867 -0.804 464 2HG2 THR 90 2HG2 THR 90 -0.245 13.136 -0.747 465 3HG2 THR 90 3HG2 THR 90 -0.437 12.035 0.617 466 H MET 91 H MET 91 2.723 12.401 -2.813 467 HA MET 91 HA MET 91 4.113 9.881 -3.381 468 1HB MET 91 1HB MET 91 5.772 11.290 -4.669 469 2HB MET 91 2HB MET 91 4.197 11.090 -5.413 470 1HG MET 91 1HG MET 91 4.593 13.312 -5.771 471 2HG MET 91 2HG MET 91 3.680 13.372 -4.268 472 1HE MET 91 1HE MET 91 8.267 13.788 -4.515 473 2HE MET 91 2HE MET 91 7.223 13.575 -5.921 474 3HE MET 91 3HE MET 91 7.420 12.261 -4.761 475 H PHE 92 H PHE 92 5.761 9.393 -2.118 476 HA PHE 92 HA PHE 92 6.802 11.447 -0.311 477 1HB PHE 92 1HB PHE 92 4.856 10.199 0.756 478 2HB PHE 92 2HB PHE 92 5.853 8.752 0.688 479 HD1 PHE 92 HD1 PHE 92 5.353 11.991 2.285 480 HD2 PHE 92 HD2 PHE 92 7.761 8.489 2.158 481 HE1 PHE 92 HE1 PHE 92 6.351 12.604 4.452 482 HE2 PHE 92 HE2 PHE 92 8.764 9.092 4.318 483 HZ PHE 92 HZ PHE 92 8.059 11.150 5.469 484 H GLU 93 H GLU 93 8.952 11.301 -0.187 485 HA GLU 93 HA GLU 93 10.235 8.937 -1.307 486 1HB GLU 93 1HB GLU 93 11.630 11.357 -0.126 487 2HB GLU 93 2HB GLU 93 12.233 10.246 -1.340 488 1HG GLU 93 1HG GLU 93 9.909 12.059 -1.870 489 2HG GLU 93 2HG GLU 93 11.576 12.582 -2.086 490 H TYR 94 H TYR 94 10.484 7.289 0.123 491 HA TYR 94 HA TYR 94 10.831 7.996 2.958 492 1HB TYR 94 1HB TYR 94 8.750 6.708 2.293 493 2HB TYR 94 2HB TYR 94 9.809 5.360 1.891 494 HD1 TYR 94 HD1 TYR 94 10.455 3.841 3.553 495 HD2 TYR 94 HD2 TYR 94 8.858 7.615 4.686 496 HE1 TYR 94 HE1 TYR 94 10.398 3.107 5.902 497 HE2 TYR 94 HE2 TYR 94 8.798 6.895 7.033 498 HH TYR 94 HH TYR 94 10.378 4.102 8.147 499 H THR 95 H THR 95 12.956 8.020 3.279 500 HA THR 95 HA THR 95 14.566 5.770 2.365 501 HB THR 95 HB THR 95 15.390 7.992 3.970 502 HG1 THR 95 HG1 THR 95 15.756 9.036 1.970 503 1HG2 THR 95 1HG2 THR 95 17.510 7.530 2.880 504 2HG2 THR 95 2HG2 THR 95 16.772 6.205 1.979 505 3HG2 THR 95 3HG2 THR 95 16.926 6.100 3.733 506 H PHE 96 H PHE 96 15.194 4.160 3.698 507 HA PHE 96 HA PHE 96 14.227 4.115 6.407 508 1HB PHE 96 1HB PHE 96 15.827 2.162 4.760 509 2HB PHE 96 2HB PHE 96 15.486 1.888 6.465 510 HD1 PHE 96 HD1 PHE 96 13.195 1.478 7.223 511 HD2 PHE 96 HD2 PHE 96 14.124 1.941 3.099 512 HE1 PHE 96 HE1 PHE 96 11.012 0.510 6.627 513 HE2 PHE 96 HE2 PHE 96 11.946 0.974 2.493 514 HZ PHE 96 HZ PHE 96 10.394 0.224 4.280 515 H ASP 97 H ASP 97 17.200 4.846 4.813 516 HA ASP 97 HA ASP 97 19.168 5.726 5.526 517 1HB ASP 97 1HB ASP 97 17.765 7.153 6.978 518 2HB ASP 97 2HB ASP 97 17.810 5.920 8.230 519 H TYR 98 H TYR 98 21.023 5.271 7.159 520 HA TYR 98 HA TYR 98 22.454 3.818 8.163 521 1HB TYR 98 1HB TYR 98 20.544 3.521 9.754 522 2HB TYR 98 2HB TYR 98 19.970 2.179 8.777 523 HD1 TYR 98 HD1 TYR 98 20.490 0.059 9.534 524 HD2 TYR 98 HD2 TYR 98 23.114 3.271 10.472 525 HE1 TYR 98 HE1 TYR 98 21.894 -1.477 10.845 526 HE2 TYR 98 HE2 TYR 98 24.520 1.749 11.785 527 HH TYR 98 HH TYR 98 24.303 -0.377 12.982 528 H GLN 99 H GLN 99 22.809 1.143 8.140 529 HA GLN 99 HA GLN 99 23.194 -0.744 6.941 530 1HB GLN 99 1HB GLN 99 21.195 0.396 4.976 531 2HB GLN 99 2HB GLN 99 21.819 -1.248 4.961 532 1HG GLN 99 1HG GLN 99 20.725 -1.789 6.980 533 2HG GLN 99 2HG GLN 99 20.344 -0.099 7.310 534 1HE2 GLN 99 1HE2 GLN 99 18.644 0.883 6.225 535 2HE2 GLN 99 2HE2 GLN 99 17.464 -0.030 5.346 536 H MET 100 H MET 100 23.839 -1.382 4.491 537 HA MET 100 HA MET 100 26.192 0.026 3.903 538 1HB MET 100 1HB MET 100 24.594 -1.761 2.052 539 2HB MET 100 2HB MET 100 26.267 -1.281 1.820 540 1HG MET 100 1HG MET 100 26.324 -3.473 2.664 541 2HG MET 100 2HG MET 100 26.790 -2.421 3.998 542 1HE MET 100 1HE MET 100 24.028 -4.721 2.472 543 2HE MET 100 2HE MET 100 23.185 -3.173 2.532 544 3HE MET 100 3HE MET 100 22.684 -4.492 3.590 545 H THR 101 H THR 101 22.968 0.186 2.534 546 HA THR 101 HA THR 101 23.590 2.876 1.619 547 HB THR 101 HB THR 101 23.798 1.588 -0.198 548 HG1 THR 101 HG1 THR 101 21.763 2.487 -1.292 549 1HG2 THR 101 1HG2 THR 101 22.549 -0.378 0.435 550 2HG2 THR 101 2HG2 THR 101 21.934 0.274 -1.084 551 3HG2 THR 101 3HG2 THR 101 21.047 0.545 0.415 552 HA PRO 102 HA PRO 102 19.808 3.656 3.778 553 1HB PRO 102 1HB PRO 102 19.568 6.103 2.177 554 2HB PRO 102 2HB PRO 102 19.801 5.931 3.918 555 1HG PRO 102 1HG PRO 102 21.741 6.848 2.283 556 2HG PRO 102 2HG PRO 102 22.095 5.895 3.737 557 1HD PRO 102 1HD PRO 102 22.041 5.040 0.870 558 2HD PRO 102 2HD PRO 102 23.171 4.579 2.161 559 H THR 103 H THR 103 18.355 2.184 2.993 560 HA THR 103 HA THR 103 17.455 1.912 0.384 561 HB THR 103 HB THR 103 15.825 1.531 2.705 562 HG1 THR 103 HG1 THR 103 18.225 0.272 1.863 563 1HG2 THR 103 1HG2 THR 103 16.207 0.052 0.108 564 2HG2 THR 103 2HG2 THR 103 14.824 1.060 0.537 565 3HG2 THR 103 3HG2 THR 103 15.140 -0.432 1.424 566 H LYS 104 H LYS 104 16.828 3.757 -0.642 567 HA LYS 104 HA LYS 104 14.647 5.322 0.533 568 1HB LYS 104 1HB LYS 104 16.698 6.547 -0.106 569 2HB LYS 104 2HB LYS 104 16.490 5.996 -1.765 570 1HG LYS 104 1HG LYS 104 14.326 7.166 -1.860 571 2HG LYS 104 2HG LYS 104 14.616 7.786 -0.235 572 1HD LYS 104 1HD LYS 104 16.522 9.027 -0.975 573 2HD LYS 104 2HD LYS 104 16.470 8.257 -2.564 574 1HE LYS 104 1HE LYS 104 14.391 10.107 -1.395 575 2HE LYS 104 2HE LYS 104 15.538 10.500 -2.676 576 1HZ LYS 104 1HZ LYS 104 13.492 8.366 -2.875 577 2HZ LYS 104 2HZ LYS 104 14.505 8.905 -4.115 578 3HZ LYS 104 3HZ LYS 104 13.290 9.922 -3.500 579 H VAL 105 H VAL 105 12.691 4.802 -0.162 580 HA VAL 105 HA VAL 105 12.380 4.152 -3.000 581 HB VAL 105 HB VAL 105 10.335 3.258 -2.454 582 1HG1 VAL 105 1HG1 VAL 105 12.280 1.869 -2.835 583 2HG1 VAL 105 2HG1 VAL 105 11.319 1.190 -1.522 584 3HG1 VAL 105 3HG1 VAL 105 12.795 2.083 -1.161 585 1HG2 VAL 105 1HG2 VAL 105 11.293 3.582 0.380 586 2HG2 VAL 105 2HG2 VAL 105 9.914 2.609 -0.133 587 3HG2 VAL 105 3HG2 VAL 105 9.887 4.358 -0.351 588 H LYS 106 H LYS 106 10.412 4.878 -3.982 589 HA LYS 106 HA LYS 106 9.484 7.427 -2.830 590 1HB LYS 106 1HB LYS 106 10.747 7.489 -5.048 591 2HB LYS 106 2HB LYS 106 9.387 6.619 -5.745 592 1HG LYS 106 1HG LYS 106 7.922 8.505 -4.951 593 2HG LYS 106 2HG LYS 106 9.403 9.387 -4.572 594 1HD LYS 106 1HD LYS 106 8.463 8.425 -7.269 595 2HD LYS 106 2HD LYS 106 8.686 10.090 -6.736 596 1HE LYS 106 1HE LYS 106 10.857 8.034 -7.127 597 2HE LYS 106 2HE LYS 106 10.502 9.387 -8.196 598 1HZ LYS 106 1HZ LYS 106 10.931 10.280 -5.525 599 2HZ LYS 106 2HZ LYS 106 11.738 10.724 -6.954 600 3HZ LYS 106 3HZ LYS 106 12.251 9.365 -6.076 601 H VAL 107 H VAL 107 7.476 7.259 -2.047 602 HA VAL 107 HA VAL 107 5.827 5.015 -2.971 603 HB VAL 107 HB VAL 107 4.828 6.981 -1.186 604 1HG1 VAL 107 1HG1 VAL 107 3.818 4.968 -0.229 605 2HG1 VAL 107 2HG1 VAL 107 4.663 3.977 -1.417 606 3HG1 VAL 107 3HG1 VAL 107 3.447 5.140 -1.945 607 1HG2 VAL 107 1HG2 VAL 107 5.886 5.798 0.692 608 2HG2 VAL 107 2HG2 VAL 107 7.055 6.666 -0.301 609 3HG2 VAL 107 3HG2 VAL 107 6.900 4.915 -0.447 610 H HIS 108 H HIS 108 3.976 5.242 -4.148 611 HA HIS 108 HA HIS 108 2.801 7.911 -4.180 612 1HB HIS 108 1HB HIS 108 4.153 7.555 -6.309 613 2HB HIS 108 2HB HIS 108 3.012 6.280 -6.718 614 HD1 HIS 108 HD1 HIS 108 2.217 7.616 -8.816 615 HD2 HIS 108 HD2 HIS 108 1.624 9.592 -5.208 616 HE1 HIS 108 HE1 HIS 108 0.648 9.510 -9.331 617 HE2 HIS 108 HE2 HIS 108 0.491 10.816 -7.181 618 H MET 109 H MET 109 1.131 7.431 -2.996 619 HA MET 109 HA MET 109 -0.520 5.109 -3.631 620 1HB MET 109 1HB MET 109 -0.698 7.236 -1.477 621 2HB MET 109 2HB MET 109 -1.911 5.985 -1.706 622 1HG MET 109 1HG MET 109 -0.210 4.275 -1.284 623 2HG MET 109 2HG MET 109 0.984 5.544 -1.021 624 1HE MET 109 1HE MET 109 0.236 3.942 2.535 625 2HE MET 109 2HE MET 109 1.485 4.247 1.329 626 3HE MET 109 3HE MET 109 0.181 3.115 0.977 627 H LYS 110 H LYS 110 -2.580 5.339 -4.554 628 HA LYS 110 HA LYS 110 -3.393 8.036 -5.209 629 1HB LYS 110 1HB LYS 110 -3.473 7.596 -7.652 630 2HB LYS 110 2HB LYS 110 -1.847 7.675 -6.997 631 1HG LYS 110 1HG LYS 110 -1.832 5.175 -6.951 632 2HG LYS 110 2HG LYS 110 -3.366 5.218 -7.823 633 1HD LYS 110 1HD LYS 110 -2.239 6.587 -9.584 634 2HD LYS 110 2HD LYS 110 -0.711 6.311 -8.747 635 1HE LYS 110 1HE LYS 110 -0.812 4.706 -10.477 636 2HE LYS 110 2HE LYS 110 -1.177 3.836 -8.985 637 1HZ LYS 110 1HZ LYS 110 -3.128 4.794 -11.007 638 2HZ LYS 110 2HZ LYS 110 -3.557 4.086 -9.531 639 3HZ LYS 110 3HZ LYS 110 -2.710 3.180 -10.692 640 H LYS 111 H LYS 111 -5.441 8.219 -5.106 641 HA LYS 111 HA LYS 111 -7.279 6.281 -4.625 642 1HB LYS 111 1HB LYS 111 -7.593 8.621 -4.264 643 2HB LYS 111 2HB LYS 111 -7.443 8.961 -5.973 644 1HG LYS 111 1HG LYS 111 -9.569 7.708 -6.342 645 2HG LYS 111 2HG LYS 111 -9.731 7.588 -4.583 646 1HD LYS 111 1HD LYS 111 -9.675 10.011 -4.395 647 2HD LYS 111 2HD LYS 111 -9.467 10.162 -6.138 648 1HE LYS 111 1HE LYS 111 -11.729 10.521 -5.926 649 2HE LYS 111 2HE LYS 111 -11.697 8.781 -6.203 650 1HZ LYS 111 1HZ LYS 111 -13.154 9.472 -4.346 651 2HZ LYS 111 2HZ LYS 111 -11.790 10.041 -3.519 652 3HZ LYS 111 3HZ LYS 111 -11.940 8.389 -3.866 653 H ALA 112 H ALA 112 -7.970 4.651 -5.785 654 HA ALA 112 HA ALA 112 -7.136 4.022 -8.341 655 1HB ALA 112 1HB ALA 112 -7.980 2.390 -6.724 656 2HB ALA 112 2HB ALA 112 -8.768 2.231 -8.292 657 3HB ALA 112 3HB ALA 112 -9.615 3.009 -6.955 658 H LEU 113 H LEU 113 -8.176 3.989 -10.373 659 HA LEU 113 HA LEU 113 -9.510 6.369 -11.025 660 1HB LEU 113 1HB LEU 113 -9.545 5.613 -13.253 661 2HB LEU 113 2HB LEU 113 -8.078 4.966 -12.552 662 HG LEU 113 HG LEU 113 -10.622 3.378 -12.948 663 1HD1 LEU 113 1HD1 LEU 113 -9.437 2.304 -14.797 664 2HD1 LEU 113 2HD1 LEU 113 -8.093 3.427 -14.585 665 3HD1 LEU 113 3HD1 LEU 113 -9.673 4.028 -15.087 666 1HD2 LEU 113 1HD2 LEU 113 -7.826 2.475 -12.258 667 2HD2 LEU 113 2HD2 LEU 113 -9.227 1.434 -12.520 668 3HD2 LEU 113 3HD2 LEU 113 -9.191 2.532 -11.142 669 H SER 114 H SER 114 -10.718 3.247 -10.109 670 HA SER 114 HA SER 114 -13.409 3.744 -10.994 671 1HB SER 114 1HB SER 114 -13.848 1.689 -9.504 672 2HB SER 114 2HB SER 114 -12.801 1.457 -10.907 673 HG SER 114 HG SER 114 -12.228 0.901 -8.426 674 H GLY 115 H GLY 115 -11.863 3.447 -7.789 675 1HA GLY 115 1HA GLY 115 -12.271 5.444 -6.318 676 2HA GLY 115 2HA GLY 115 -13.966 5.228 -6.731 677 H ASP 116 H ASP 116 -13.281 5.305 -4.137 678 HA ASP 116 HA ASP 116 -13.550 4.251 -2.158 679 1HB ASP 116 1HB ASP 116 -15.616 3.445 -3.400 680 2HB ASP 116 2HB ASP 116 -14.739 1.953 -3.719 681 H SER 117 H SER 117 -11.179 3.925 -3.630 682 HA SER 117 HA SER 117 -9.858 1.903 -2.151 683 1HB SER 117 1HB SER 117 -9.092 0.634 -4.237 684 2HB SER 117 2HB SER 117 -10.711 0.309 -3.626 685 HG SER 117 HG SER 117 -11.533 1.705 -5.226 686 H TYR 118 H TYR 118 -7.570 1.938 -2.515 687 HA TYR 118 HA TYR 118 -6.553 4.175 -4.119 688 1HB TYR 118 1HB TYR 118 -5.910 3.866 -1.169 689 2HB TYR 118 2HB TYR 118 -5.379 5.163 -2.242 690 HD1 TYR 118 HD1 TYR 118 -7.998 3.949 -0.108 691 HD2 TYR 118 HD2 TYR 118 -7.010 6.793 -3.075 692 HE1 TYR 118 HE1 TYR 118 -9.995 5.260 0.517 693 HE2 TYR 118 HE2 TYR 118 -8.997 8.134 -2.479 694 HH TYR 118 HH TYR 118 -10.788 7.617 0.341 695 H TRP 119 H TRP 119 -4.463 3.851 -4.877 696 HA TRP 119 HA TRP 119 -3.446 1.157 -4.559 697 1HB TRP 119 1HB TRP 119 -2.628 3.492 -6.283 698 2HB TRP 119 2HB TRP 119 -1.768 1.943 -6.265 699 HD1 TRP 119 HD1 TRP 119 -5.398 3.191 -6.948 700 HE1 TRP 119 HE1 TRP 119 -6.336 1.747 -8.878 701 HE3 TRP 119 HE3 TRP 119 -1.412 0.104 -7.654 702 HZ2 TRP 119 HZ2 TRP 119 -5.468 -0.422 -10.480 703 HZ3 TRP 119 HZ3 TRP 119 -1.519 -1.604 -9.377 704 HH2 TRP 119 HH2 TRP 119 -3.507 -1.873 -10.784 705 H VAL 120 H VAL 120 -1.229 0.776 -4.243 706 HA VAL 120 HA VAL 120 0.375 2.824 -2.891 707 HB VAL 120 HB VAL 120 -0.004 0.096 -2.041 708 1HG1 VAL 120 1HG1 VAL 120 1.676 2.369 -0.972 709 2HG1 VAL 120 2HG1 VAL 120 2.266 0.863 -1.673 710 3HG1 VAL 120 3HG1 VAL 120 1.400 0.840 -0.137 711 1HG2 VAL 120 1HG2 VAL 120 -0.923 2.678 -0.805 712 2HG2 VAL 120 2HG2 VAL 120 -0.979 1.095 -0.032 713 3HG2 VAL 120 3HG2 VAL 120 -1.944 1.406 -1.475 714 H PHE 121 H PHE 121 1.776 2.925 -4.679 715 HA PHE 121 HA PHE 121 3.260 0.429 -5.129 716 1HB PHE 121 1HB PHE 121 3.331 0.769 -7.410 717 2HB PHE 121 2HB PHE 121 1.712 1.283 -6.975 718 HD1 PHE 121 HD1 PHE 121 0.961 3.473 -7.379 719 HD2 PHE 121 HD2 PHE 121 5.046 2.461 -7.961 720 HE1 PHE 121 HE1 PHE 121 1.330 5.637 -8.493 721 HE2 PHE 121 HE2 PHE 121 5.430 4.617 -9.083 722 HZ PHE 121 HZ PHE 121 3.503 6.137 -9.503 723 H VAL 122 H VAL 122 5.463 0.562 -5.189 724 HA VAL 122 HA VAL 122 6.602 3.162 -4.403 725 HB VAL 122 HB VAL 122 8.325 1.952 -3.455 726 1HG1 VAL 122 1HG1 VAL 122 6.513 2.904 -2.157 727 2HG1 VAL 122 2HG1 VAL 122 6.995 1.349 -1.481 728 3HG1 VAL 122 3HG1 VAL 122 5.525 1.472 -2.449 729 1HG2 VAL 122 1HG2 VAL 122 7.996 -0.388 -2.926 730 2HG2 VAL 122 2HG2 VAL 122 8.078 -0.152 -4.670 731 3HG2 VAL 122 3HG2 VAL 122 6.520 -0.416 -3.890 732 H LYS 123 H LYS 123 8.858 3.473 -4.932 733 HA LYS 123 HA LYS 123 9.886 2.020 -7.220 734 1HB LYS 123 1HB LYS 123 8.277 3.862 -7.994 735 2HB LYS 123 2HB LYS 123 9.473 5.001 -7.404 736 1HG LYS 123 1HG LYS 123 11.096 4.173 -8.986 737 2HG LYS 123 2HG LYS 123 9.962 2.933 -9.534 738 1HD LYS 123 1HD LYS 123 8.393 4.752 -10.187 739 2HD LYS 123 2HD LYS 123 9.641 5.925 -9.769 740 1HE LYS 123 1HE LYS 123 11.121 4.916 -11.447 741 2HE LYS 123 2HE LYS 123 9.840 3.782 -11.877 742 1HZ LYS 123 1HZ LYS 123 8.448 5.654 -12.528 743 2HZ LYS 123 2HZ LYS 123 9.904 5.660 -13.400 744 3HZ LYS 123 3HZ LYS 123 9.683 6.739 -12.112 745 H ARG 124 H ARG 124 12.033 1.763 -6.833 746 HA ARG 124 HA ARG 124 13.220 3.253 -4.682 747 1HB ARG 124 1HB ARG 124 15.211 1.822 -5.060 748 2HB ARG 124 2HB ARG 124 13.731 0.910 -4.807 749 1HG ARG 124 1HG ARG 124 13.561 0.545 -7.228 750 2HG ARG 124 2HG ARG 124 15.076 1.425 -7.452 751 1HD ARG 124 1HD ARG 124 16.191 -0.238 -5.982 752 2HD ARG 124 2HD ARG 124 14.680 -1.146 -5.927 753 HE ARG 124 HE ARG 124 16.473 -0.859 -8.218 754 1HH1 ARG 124 1HH1 ARG 124 13.492 -2.139 -6.901 755 2HH1 ARG 124 2HH1 ARG 124 13.248 -3.263 -8.200 756 1HH2 ARG 124 1HH2 ARG 124 16.182 -2.339 -9.900 757 2HH2 ARG 124 2HH2 ARG 124 14.809 -3.412 -9.890 758 H VAL 125 H VAL 125 13.391 5.341 -5.315 759 HA VAL 125 HA VAL 125 15.757 6.063 -6.649 760 HB VAL 125 HB VAL 125 14.691 5.636 -8.506 761 1HG1 VAL 125 1HG1 VAL 125 12.574 6.670 -9.164 762 2HG1 VAL 125 2HG1 VAL 125 12.406 7.349 -7.546 763 3HG1 VAL 125 3HG1 VAL 125 12.377 5.600 -7.777 764 1HG2 VAL 125 1HG2 VAL 125 14.700 8.591 -7.980 765 2HG2 VAL 125 2HG2 VAL 125 14.690 7.829 -9.570 766 3HG2 VAL 125 3HG2 VAL 125 16.069 7.605 -8.495 767 H2 HC4 169 H2 HC4 169 -9.814 -1.976 11.931 768 H3 HC4 169 H3 HC4 169 -11.035 -0.185 12.006 769 H2' HC4 169 H2' HC4 169 -11.644 2.123 12.325 770 H3' HC4 169 H3' HC4 169 -11.216 4.417 13.080 771 H5' HC4 169 H5' HC4 169 -7.212 3.339 14.045 772 H6' HC4 169 H6' HC4 169 -7.667 1.036 13.340 773 'HO4 HC4 169 'HO4 HC4 169 -9.689 5.666 14.475 Start of MODEL 14 1 H LEU 26 H LEU 26 10.880 -7.731 -10.295 2 HA LEU 26 HA LEU 26 10.606 -5.621 -8.240 3 1HB LEU 26 1HB LEU 26 9.036 -6.313 -10.717 4 2HB LEU 26 2HB LEU 26 8.383 -5.304 -9.442 5 HG LEU 26 HG LEU 26 10.855 -4.663 -11.055 6 1HD1 LEU 26 1HD1 LEU 26 9.478 -3.003 -12.166 7 2HD1 LEU 26 2HD1 LEU 26 8.075 -3.499 -11.218 8 3HD1 LEU 26 3HD1 LEU 26 8.787 -4.611 -12.388 9 1HD2 LEU 26 1HD2 LEU 26 10.637 -2.446 -10.021 10 2HD2 LEU 26 2HD2 LEU 26 10.907 -3.701 -8.814 11 3HD2 LEU 26 3HD2 LEU 26 9.290 -3.036 -9.045 12 H ALA 27 H ALA 27 10.219 -6.781 -6.403 13 HA ALA 27 HA ALA 27 8.108 -8.800 -6.427 14 1HB ALA 27 1HB ALA 27 9.802 -7.725 -4.161 15 2HB ALA 27 2HB ALA 27 10.041 -9.249 -5.015 16 3HB ALA 27 3HB ALA 27 8.609 -9.016 -4.013 17 H PHE 28 H PHE 28 8.869 -5.685 -4.912 18 HA PHE 28 HA PHE 28 5.986 -5.140 -4.671 19 1HB PHE 28 1HB PHE 28 8.370 -3.795 -3.370 20 2HB PHE 28 2HB PHE 28 6.706 -3.254 -3.188 21 HD1 PHE 28 HD1 PHE 28 9.194 -5.726 -2.218 22 HD2 PHE 28 HD2 PHE 28 5.112 -4.570 -1.886 23 HE1 PHE 28 HE1 PHE 28 8.920 -7.255 -0.313 24 HE2 PHE 28 HE2 PHE 28 4.832 -6.097 0.023 25 HZ PHE 28 HZ PHE 28 6.744 -7.418 0.830 26 H GLY 29 H GLY 29 5.185 -3.144 -5.495 27 1HA GLY 29 1HA GLY 29 6.710 -1.204 -6.804 28 2HA GLY 29 2HA GLY 29 6.251 -2.409 -7.999 29 H ALA 30 H ALA 30 3.739 -3.049 -7.541 30 HA ALA 30 HA ALA 30 2.224 -0.576 -7.161 31 1HB ALA 30 1HB ALA 30 1.081 -0.795 -9.289 32 2HB ALA 30 2HB ALA 30 2.038 -2.224 -9.682 33 3HB ALA 30 3HB ALA 30 2.821 -0.648 -9.544 34 H ILE 31 H ILE 31 0.813 -1.187 -5.644 35 HA ILE 31 HA ILE 31 -0.892 -3.485 -6.277 36 HB ILE 31 HB ILE 31 0.398 -4.190 -4.684 37 1HG1 ILE 31 1HG1 ILE 31 -2.328 -3.379 -3.796 38 2HG1 ILE 31 2HG1 ILE 31 -1.752 -4.936 -4.377 39 1HG2 ILE 31 1HG2 ILE 31 -0.202 -1.655 -3.174 40 2HG2 ILE 31 2HG2 ILE 31 1.355 -2.127 -3.856 41 3HG2 ILE 31 3HG2 ILE 31 0.665 -3.043 -2.516 42 1HD1 ILE 31 1HD1 ILE 31 -2.219 -4.981 -1.992 43 2HD1 ILE 31 2HD1 ILE 31 -1.047 -3.688 -1.737 44 3HD1 ILE 31 3HD1 ILE 31 -0.508 -5.264 -2.319 45 H GLN 32 H GLN 32 -3.045 -3.159 -6.001 46 HA GLN 32 HA GLN 32 -3.803 -0.550 -4.887 47 1HB GLN 32 1HB GLN 32 -5.879 -0.669 -6.102 48 2HB GLN 32 2HB GLN 32 -4.527 -0.830 -7.203 49 1HG GLN 32 1HG GLN 32 -4.919 -3.103 -7.542 50 2HG GLN 32 2HG GLN 32 -6.015 -3.211 -6.166 51 1HE2 GLN 32 1HE2 GLN 32 -7.465 -0.753 -6.880 52 2HE2 GLN 32 2HE2 GLN 32 -8.410 -1.148 -8.264 53 H LEU 33 H LEU 33 -4.891 -0.444 -3.110 54 HA LEU 33 HA LEU 33 -6.264 -2.888 -2.170 55 1HB LEU 33 1HB LEU 33 -5.860 -2.038 0.147 56 2HB LEU 33 2HB LEU 33 -4.437 -2.588 -0.706 57 HG LEU 33 HG LEU 33 -4.037 -0.095 -1.243 58 1HD1 LEU 33 1HD1 LEU 33 -6.204 0.755 -0.545 59 2HD1 LEU 33 2HD1 LEU 33 -4.908 1.462 0.420 60 3HD1 LEU 33 3HD1 LEU 33 -5.912 0.181 1.098 61 1HD2 LEU 33 1HD2 LEU 33 -2.892 0.213 0.921 62 2HD2 LEU 33 2HD2 LEU 33 -2.612 -1.377 0.212 63 3HD2 LEU 33 3HD2 LEU 33 -3.751 -1.197 1.546 64 H ASP 34 H ASP 34 -8.136 -2.508 -0.867 65 HA ASP 34 HA ASP 34 -9.786 -0.444 -2.002 66 1HB ASP 34 1HB ASP 34 -11.424 -1.867 -1.449 67 2HB ASP 34 2HB ASP 34 -10.204 -2.947 -0.793 68 H GLY 35 H GLY 35 -10.938 1.140 -0.781 69 1HA GLY 35 1HA GLY 35 -9.040 2.607 0.823 70 2HA GLY 35 2HA GLY 35 -10.592 3.190 0.240 71 H ASP 36 H ASP 36 -10.002 0.290 2.061 72 HA ASP 36 HA ASP 36 -11.205 1.473 4.451 73 1HB ASP 36 1HB ASP 36 -13.085 0.560 3.317 74 2HB ASP 36 2HB ASP 36 -12.221 -0.922 2.926 75 H GLY 37 H GLY 37 -9.431 -1.186 2.941 76 1HA GLY 37 1HA GLY 37 -7.268 -1.358 4.407 77 2HA GLY 37 2HA GLY 37 -8.413 -1.969 5.589 78 H ASN 38 H ASN 38 -9.240 -2.783 2.411 79 HA ASN 38 HA ASN 38 -8.325 -5.547 2.872 80 1HB ASN 38 1HB ASN 38 -10.516 -4.542 1.034 81 2HB ASN 38 2HB ASN 38 -10.155 -6.220 1.410 82 1HD2 ASN 38 1HD2 ASN 38 -11.468 -3.224 2.621 83 2HD2 ASN 38 2HD2 ASN 38 -12.320 -3.915 3.964 84 H ILE 39 H ILE 39 -7.213 -6.653 1.252 85 HA ILE 39 HA ILE 39 -5.851 -5.014 -0.686 86 HB ILE 39 HB ILE 39 -5.970 -7.864 -0.245 87 1HG1 ILE 39 1HG1 ILE 39 -5.007 -6.609 1.585 88 2HG1 ILE 39 2HG1 ILE 39 -3.754 -7.475 0.706 89 1HG2 ILE 39 1HG2 ILE 39 -5.415 -7.404 -2.575 90 2HG2 ILE 39 2HG2 ILE 39 -3.983 -7.927 -1.689 91 3HG2 ILE 39 3HG2 ILE 39 -4.209 -6.220 -2.069 92 1HD1 ILE 39 1HD1 ILE 39 -4.376 -4.540 0.482 93 2HD1 ILE 39 2HD1 ILE 39 -3.141 -5.398 -0.438 94 3HD1 ILE 39 3HD1 ILE 39 -2.999 -5.264 1.315 95 H LEU 40 H LEU 40 -6.203 -4.871 -2.844 96 HA LEU 40 HA LEU 40 -8.807 -5.905 -3.750 97 1HB LEU 40 1HB LEU 40 -8.083 -3.361 -3.552 98 2HB LEU 40 2HB LEU 40 -7.316 -3.683 -5.091 99 HG LEU 40 HG LEU 40 -9.430 -2.662 -5.470 100 1HD1 LEU 40 1HD1 LEU 40 -10.569 -4.325 -6.853 101 2HD1 LEU 40 2HD1 LEU 40 -9.585 -5.590 -6.118 102 3HD1 LEU 40 3HD1 LEU 40 -8.822 -4.336 -7.096 103 1HD2 LEU 40 1HD2 LEU 40 -10.527 -3.195 -3.379 104 2HD2 LEU 40 2HD2 LEU 40 -10.621 -4.895 -3.841 105 3HD2 LEU 40 3HD2 LEU 40 -11.541 -3.687 -4.736 106 H GLN 41 H GLN 41 -5.747 -4.830 -5.139 107 HA GLN 41 HA GLN 41 -5.432 -7.391 -6.518 108 1HB GLN 41 1HB GLN 41 -6.604 -5.942 -8.135 109 2HB GLN 41 2HB GLN 41 -5.332 -4.741 -7.974 110 1HG GLN 41 1HG GLN 41 -3.737 -6.583 -8.742 111 2HG GLN 41 2HG GLN 41 -5.189 -7.453 -9.234 112 1HE2 GLN 41 1HE2 GLN 41 -4.690 -7.368 -11.410 113 2HE2 GLN 41 2HE2 GLN 41 -4.748 -5.902 -12.328 114 H TYR 42 H TYR 42 -3.533 -8.038 -5.794 115 HA TYR 42 HA TYR 42 -1.383 -6.087 -5.385 116 1HB TYR 42 1HB TYR 42 -1.960 -7.566 -3.495 117 2HB TYR 42 2HB TYR 42 -1.631 -8.972 -4.496 118 HD1 TYR 42 HD1 TYR 42 0.191 -10.033 -3.512 119 HD2 TYR 42 HD2 TYR 42 0.307 -5.822 -4.085 120 HE1 TYR 42 HE1 TYR 42 2.546 -10.007 -2.800 121 HE2 TYR 42 HE2 TYR 42 2.659 -5.780 -3.376 122 HH TYR 42 HH TYR 42 4.539 -8.584 -3.082 123 H ASN 43 H ASN 43 -0.096 -5.819 -7.111 124 HA ASN 43 HA ASN 43 0.148 -7.999 -9.038 125 1HB ASN 43 1HB ASN 43 1.187 -5.166 -9.261 126 2HB ASN 43 2HB ASN 43 1.105 -6.358 -10.552 127 1HD2 ASN 43 1HD2 ASN 43 -0.599 -4.006 -8.727 128 2HD2 ASN 43 2HD2 ASN 43 -2.092 -4.092 -9.604 129 H ALA 44 H ALA 44 1.546 -9.410 -8.084 130 HA ALA 44 HA ALA 44 4.336 -8.516 -7.955 131 1HB ALA 44 1HB ALA 44 3.489 -8.565 -5.646 132 2HB ALA 44 2HB ALA 44 4.723 -9.795 -5.920 133 3HB ALA 44 3HB ALA 44 3.021 -10.252 -5.864 134 H ALA 45 H ALA 45 5.719 -9.902 -8.905 135 HA ALA 45 HA ALA 45 4.587 -12.149 -10.313 136 1HB ALA 45 1HB ALA 45 7.414 -11.097 -10.290 137 2HB ALA 45 2HB ALA 45 6.152 -10.653 -11.439 138 3HB ALA 45 3HB ALA 45 6.768 -12.306 -11.400 139 H GLU 46 H GLU 46 4.102 -13.672 -8.766 140 HA GLU 46 HA GLU 46 6.418 -14.924 -7.445 141 1HB GLU 46 1HB GLU 46 4.948 -13.948 -5.780 142 2HB GLU 46 2HB GLU 46 3.549 -14.723 -6.506 143 1HG GLU 46 1HG GLU 46 4.085 -15.948 -4.565 144 2HG GLU 46 2HG GLU 46 4.586 -16.926 -5.940 145 H GLY 47 H GLY 47 6.832 -16.958 -8.063 146 1HA GLY 47 1HA GLY 47 5.013 -18.304 -9.881 147 2HA GLY 47 2HA GLY 47 6.614 -18.858 -9.397 148 H ASP 48 H ASP 48 3.437 -18.230 -7.938 149 HA ASP 48 HA ASP 48 3.981 -20.250 -5.911 150 1HB ASP 48 1HB ASP 48 3.061 -18.014 -5.289 151 2HB ASP 48 2HB ASP 48 1.595 -18.409 -6.180 152 H ILE 49 H ILE 49 3.731 -22.204 -6.806 153 HA ILE 49 HA ILE 49 1.287 -22.869 -8.256 154 HB ILE 49 HB ILE 49 3.511 -24.478 -7.382 155 1HG1 ILE 49 1HG1 ILE 49 2.897 -23.165 -10.029 156 2HG1 ILE 49 2HG1 ILE 49 4.166 -22.677 -8.911 157 1HG2 ILE 49 1HG2 ILE 49 2.626 -26.033 -9.083 158 2HG2 ILE 49 2HG2 ILE 49 1.226 -24.980 -9.287 159 3HG2 ILE 49 3HG2 ILE 49 1.503 -25.789 -7.745 160 1HD1 ILE 49 1HD1 ILE 49 3.996 -25.323 -10.339 161 2HD1 ILE 49 2HD1 ILE 49 5.270 -24.830 -9.222 162 3HD1 ILE 49 3HD1 ILE 49 5.062 -23.980 -10.753 163 H THR 50 H THR 50 3.070 -24.021 -5.412 164 HA THR 50 HA THR 50 0.645 -24.035 -3.869 165 HB THR 50 HB THR 50 0.658 -26.095 -4.889 166 HG1 THR 50 HG1 THR 50 -0.303 -26.203 -2.961 167 1HG2 THR 50 1HG2 THR 50 3.016 -26.479 -5.205 168 2HG2 THR 50 2HG2 THR 50 2.327 -27.759 -4.209 169 3HG2 THR 50 3HG2 THR 50 3.278 -26.475 -3.463 170 H GLY 51 H GLY 51 1.136 -24.315 -1.537 171 1HA GLY 51 1HA GLY 51 3.408 -24.682 -0.219 172 2HA GLY 51 2HA GLY 51 3.754 -23.151 -1.002 173 H ARG 52 H ARG 52 3.101 -24.248 1.832 174 HA ARG 52 HA ARG 52 0.898 -22.511 2.584 175 1HB ARG 52 1HB ARG 52 1.377 -23.426 4.893 176 2HB ARG 52 2HB ARG 52 0.891 -24.615 3.692 177 1HG ARG 52 1HG ARG 52 3.169 -25.339 3.416 178 2HG ARG 52 2HG ARG 52 3.739 -24.060 4.490 179 1HD ARG 52 1HD ARG 52 2.546 -25.053 6.352 180 2HD ARG 52 2HD ARG 52 1.882 -26.296 5.289 181 HE ARG 52 HE ARG 52 4.071 -27.229 5.074 182 1HH1 ARG 52 1HH1 ARG 52 3.793 -24.692 7.482 183 2HH1 ARG 52 2HH1 ARG 52 5.243 -25.161 8.324 184 1HH2 ARG 52 1HH2 ARG 52 5.958 -27.860 6.188 185 2HH2 ARG 52 2HH2 ARG 52 6.465 -26.969 7.598 186 H ASP 53 H ASP 53 2.473 -20.787 1.634 187 HA ASP 53 HA ASP 53 4.150 -19.729 3.808 188 1HB ASP 53 1HB ASP 53 5.352 -20.056 1.700 189 2HB ASP 53 2HB ASP 53 4.163 -19.072 0.853 190 HA PRO 54 HA PRO 54 0.553 -17.138 4.780 191 1HB PRO 54 1HB PRO 54 2.878 -15.755 6.038 192 2HB PRO 54 2HB PRO 54 1.282 -16.108 6.707 193 1HG PRO 54 1HG PRO 54 3.528 -17.583 7.228 194 2HG PRO 54 2HG PRO 54 1.876 -18.210 7.335 195 1HD PRO 54 1HD PRO 54 3.951 -18.918 5.454 196 2HD PRO 54 2HD PRO 54 2.335 -19.616 5.638 197 H LYS 55 H LYS 55 0.150 -16.283 2.770 198 HA LYS 55 HA LYS 55 1.723 -14.032 1.828 199 1HB LYS 55 1HB LYS 55 -0.916 -15.101 0.801 200 2HB LYS 55 2HB LYS 55 0.087 -13.898 0.004 201 1HG LYS 55 1HG LYS 55 0.753 -16.797 0.468 202 2HG LYS 55 2HG LYS 55 0.398 -16.013 -1.071 203 1HD LYS 55 1HD LYS 55 2.410 -14.617 -0.801 204 2HD LYS 55 2HD LYS 55 2.777 -15.460 0.705 205 1HE LYS 55 1HE LYS 55 2.812 -17.595 -0.616 206 2HE LYS 55 2HE LYS 55 2.697 -16.616 -2.077 207 1HZ LYS 55 1HZ LYS 55 4.981 -17.122 -1.679 208 2HZ LYS 55 2HZ LYS 55 4.886 -16.591 -0.071 209 3HZ LYS 55 3HZ LYS 55 4.760 -15.473 -1.341 210 H GLN 56 H GLN 56 1.558 -12.197 2.900 211 HA GLN 56 HA GLN 56 -0.775 -11.670 4.538 212 1HB GLN 56 1HB GLN 56 1.797 -10.118 4.221 213 2HB GLN 56 2HB GLN 56 0.553 -9.803 5.422 214 1HG GLN 56 1HG GLN 56 0.952 -11.974 6.433 215 2HG GLN 56 2HG GLN 56 2.166 -12.336 5.206 216 1HE2 GLN 56 1HE2 GLN 56 3.794 -12.587 6.743 217 2HE2 GLN 56 2HE2 GLN 56 4.477 -11.239 7.585 218 H VAL 57 H VAL 57 0.486 -10.563 1.499 219 HA VAL 57 HA VAL 57 -1.051 -8.074 1.728 220 HB VAL 57 HB VAL 57 0.650 -8.692 -0.463 221 1HG1 VAL 57 1HG1 VAL 57 -0.724 -6.688 -0.530 222 2HG1 VAL 57 2HG1 VAL 57 0.973 -6.257 -0.321 223 3HG1 VAL 57 3HG1 VAL 57 -0.125 -6.205 1.057 224 1HG2 VAL 57 1HG2 VAL 57 2.509 -7.713 0.812 225 2HG2 VAL 57 2HG2 VAL 57 2.012 -9.287 1.428 226 3HG2 VAL 57 3HG2 VAL 57 1.529 -7.818 2.273 227 H ILE 58 H ILE 58 -2.184 -10.744 1.126 228 HA ILE 58 HA ILE 58 -3.963 -9.827 -0.967 229 HB ILE 58 HB ILE 58 -3.964 -12.140 -1.776 230 1HG1 ILE 58 1HG1 ILE 58 -1.107 -11.846 -0.864 231 2HG1 ILE 58 2HG1 ILE 58 -2.274 -13.020 -0.265 232 1HG2 ILE 58 1HG2 ILE 58 -2.512 -11.416 -3.593 233 2HG2 ILE 58 2HG2 ILE 58 -1.937 -10.077 -2.597 234 3HG2 ILE 58 3HG2 ILE 58 -3.627 -10.141 -3.098 235 1HD1 ILE 58 1HD1 ILE 58 -2.368 -14.074 -2.442 236 2HD1 ILE 58 2HD1 ILE 58 -0.703 -13.993 -1.864 237 3HD1 ILE 58 3HD1 ILE 58 -1.265 -12.862 -3.095 238 H GLY 59 H GLY 59 -5.909 -11.039 -1.070 239 1HA GLY 59 1HA GLY 59 -7.737 -11.994 -0.061 240 2HA GLY 59 2HA GLY 59 -6.610 -13.143 0.648 241 H LYS 60 H LYS 60 -6.425 -9.704 1.167 242 HA LYS 60 HA LYS 60 -6.578 -10.198 4.026 243 1HB LYS 60 1HB LYS 60 -4.669 -8.956 3.207 244 2HB LYS 60 2HB LYS 60 -5.722 -7.800 2.405 245 1HG LYS 60 1HG LYS 60 -4.720 -6.952 4.505 246 2HG LYS 60 2HG LYS 60 -6.484 -6.942 4.514 247 1HD LYS 60 1HD LYS 60 -6.594 -8.814 5.936 248 2HD LYS 60 2HD LYS 60 -4.890 -9.210 5.683 249 1HE LYS 60 1HE LYS 60 -4.261 -7.134 6.849 250 2HE LYS 60 2HE LYS 60 -5.968 -6.789 7.126 251 1HZ LYS 60 1HZ LYS 60 -4.695 -9.289 8.073 252 2HZ LYS 60 2HZ LYS 60 -6.171 -8.608 8.571 253 3HZ LYS 60 3HZ LYS 60 -4.701 -7.874 9.003 254 H ASN 61 H ASN 61 -8.476 -10.062 4.942 255 HA ASN 61 HA ASN 61 -10.285 -7.909 4.077 256 1HB ASN 61 1HB ASN 61 -12.105 -9.303 5.175 257 2HB ASN 61 2HB ASN 61 -11.438 -9.911 3.672 258 1HD2 ASN 61 1HD2 ASN 61 -10.295 -11.811 3.663 259 2HD2 ASN 61 2HD2 ASN 61 -10.221 -12.871 5.027 260 H PHE 62 H PHE 62 -10.657 -6.363 5.425 261 HA PHE 62 HA PHE 62 -10.147 -6.768 8.290 262 1HB PHE 62 1HB PHE 62 -8.185 -5.730 7.151 263 2HB PHE 62 2HB PHE 62 -9.220 -4.399 6.648 264 HD1 PHE 62 HD1 PHE 62 -9.842 -2.667 8.161 265 HD2 PHE 62 HD2 PHE 62 -7.604 -6.018 9.527 266 HE1 PHE 62 HE1 PHE 62 -9.356 -1.481 10.261 267 HE2 PHE 62 HE2 PHE 62 -7.119 -4.839 11.630 268 HZ PHE 62 HZ PHE 62 -7.995 -2.568 11.998 269 H PHE 63 H PHE 63 -11.726 -5.953 9.549 270 HA PHE 63 HA PHE 63 -13.693 -4.181 8.230 271 1HB PHE 63 1HB PHE 63 -14.244 -6.314 10.309 272 2HB PHE 63 2HB PHE 63 -15.442 -5.246 9.591 273 HD1 PHE 63 HD1 PHE 63 -13.252 -8.125 9.023 274 HD2 PHE 63 HD2 PHE 63 -16.277 -5.627 7.374 275 HE1 PHE 63 HE1 PHE 63 -13.626 -9.766 7.233 276 HE2 PHE 63 HE2 PHE 63 -16.655 -7.267 5.580 277 HZ PHE 63 HZ PHE 63 -15.330 -9.338 5.508 278 H LYS 64 H LYS 64 -13.005 -5.313 11.515 279 HA LYS 64 HA LYS 64 -12.552 -2.602 12.453 280 1HB LYS 64 1HB LYS 64 -14.289 -2.922 14.276 281 2HB LYS 64 2HB LYS 64 -14.924 -2.633 12.662 282 1HG LYS 64 1HG LYS 64 -15.151 -5.150 12.459 283 2HG LYS 64 2HG LYS 64 -14.839 -5.212 14.195 284 1HD LYS 64 1HD LYS 64 -17.043 -3.598 12.916 285 2HD LYS 64 2HD LYS 64 -17.256 -5.209 13.600 286 1HE LYS 64 1HE LYS 64 -16.198 -2.855 15.155 287 2HE LYS 64 2HE LYS 64 -17.902 -3.308 15.107 288 1HZ LYS 64 1HZ LYS 64 -15.676 -5.025 16.088 289 2HZ LYS 64 2HZ LYS 64 -17.316 -5.463 16.032 290 3HZ LYS 64 3HZ LYS 64 -16.810 -4.212 17.058 291 H ASP 65 H ASP 65 -11.061 -5.000 12.128 292 HA ASP 65 HA ASP 65 -10.797 -6.459 14.535 293 1HB ASP 65 1HB ASP 65 -8.734 -6.152 12.343 294 2HB ASP 65 2HB ASP 65 -8.916 -7.498 13.466 295 H VAL 66 H VAL 66 -8.951 -6.474 15.957 296 HA VAL 66 HA VAL 66 -8.333 -3.719 16.662 297 HB VAL 66 HB VAL 66 -7.502 -4.659 18.645 298 1HG1 VAL 66 1HG1 VAL 66 -9.690 -3.612 18.369 299 2HG1 VAL 66 2HG1 VAL 66 -9.769 -4.972 19.489 300 3HG1 VAL 66 3HG1 VAL 66 -10.366 -5.153 17.838 301 1HG2 VAL 66 1HG2 VAL 66 -8.956 -7.148 17.805 302 2HG2 VAL 66 2HG2 VAL 66 -7.986 -6.865 19.249 303 3HG2 VAL 66 3HG2 VAL 66 -7.203 -6.985 17.675 304 H ALA 67 H ALA 67 -6.862 -4.312 14.563 305 HA ALA 67 HA ALA 67 -4.244 -5.251 15.348 306 1HB ALA 67 1HB ALA 67 -3.614 -4.865 13.030 307 2HB ALA 67 2HB ALA 67 -5.154 -4.058 12.731 308 3HB ALA 67 3HB ALA 67 -5.119 -5.778 13.125 309 HA PRO 68 HA PRO 68 -3.130 -0.594 14.484 310 1HB PRO 68 1HB PRO 68 -5.174 1.200 14.779 311 2HB PRO 68 2HB PRO 68 -4.670 0.531 13.225 312 1HG PRO 68 1HG PRO 68 -6.934 -0.291 14.998 313 2HG PRO 68 2HG PRO 68 -6.905 -0.109 13.233 314 1HD PRO 68 1HD PRO 68 -6.736 -2.517 14.413 315 2HD PRO 68 2HD PRO 68 -5.854 -2.146 12.918 316 H CYS 69 H CYS 69 -2.038 -0.195 16.262 317 HA CYS 69 HA CYS 69 -3.506 0.593 18.674 318 1HB CYS 69 1HB CYS 69 -1.465 -1.578 18.431 319 2HB CYS 69 2HB CYS 69 -1.515 -0.623 19.910 320 H THR 70 H THR 70 -2.992 2.595 19.043 321 HA THR 70 HA THR 70 -1.860 4.503 19.445 322 HB THR 70 HB THR 70 0.593 3.046 19.257 323 HG1 THR 70 HG1 THR 70 -0.827 3.180 21.661 324 1HG2 THR 70 1HG2 THR 70 0.686 5.463 19.621 325 2HG2 THR 70 2HG2 THR 70 1.184 4.575 21.062 326 3HG2 THR 70 3HG2 THR 70 -0.423 5.295 20.984 327 H ASP 71 H ASP 71 -0.475 6.119 18.434 328 HA ASP 71 HA ASP 71 -0.592 6.074 15.628 329 1HB ASP 71 1HB ASP 71 0.826 7.870 17.584 330 2HB ASP 71 2HB ASP 71 1.000 8.093 15.847 331 H SER 72 H SER 72 0.641 5.081 14.217 332 HA SER 72 HA SER 72 3.467 4.582 14.896 333 1HB SER 72 1HB SER 72 1.667 2.649 13.413 334 2HB SER 72 2HB SER 72 3.345 2.380 13.890 335 HG SER 72 HG SER 72 1.190 2.839 15.695 336 HA PRO 73 HA PRO 73 3.188 6.862 10.932 337 1HB PRO 73 1HB PRO 73 5.494 8.363 11.785 338 2HB PRO 73 2HB PRO 73 3.829 8.917 11.619 339 1HG PRO 73 1HG PRO 73 5.124 8.690 14.018 340 2HG PRO 73 2HG PRO 73 3.366 8.586 13.828 341 1HD PRO 73 1HD PRO 73 5.373 6.375 14.099 342 2HD PRO 73 2HD PRO 73 3.771 6.541 14.854 343 H GLU 74 H GLU 74 4.548 4.312 11.250 344 HA GLU 74 HA GLU 74 7.192 4.654 10.110 345 1HB GLU 74 1HB GLU 74 5.596 2.143 10.650 346 2HB GLU 74 2HB GLU 74 7.294 2.202 10.195 347 1HG GLU 74 1HG GLU 74 7.911 3.179 12.250 348 2HG GLU 74 2HG GLU 74 6.233 3.521 12.674 349 H PHE 75 H PHE 75 3.981 3.680 9.118 350 HA PHE 75 HA PHE 75 4.850 3.755 6.314 351 1HB PHE 75 1HB PHE 75 2.909 1.726 7.457 352 2HB PHE 75 2HB PHE 75 3.421 1.845 5.778 353 HD1 PHE 75 HD1 PHE 75 4.097 0.420 8.982 354 HD2 PHE 75 HD2 PHE 75 5.868 1.439 5.250 355 HE1 PHE 75 HE1 PHE 75 5.949 -1.133 9.441 356 HE2 PHE 75 HE2 PHE 75 7.724 -0.114 5.699 357 HZ PHE 75 HZ PHE 75 7.746 -1.417 7.824 358 H TYR 76 H TYR 76 2.671 3.659 4.946 359 HA TYR 76 HA TYR 76 1.030 4.936 4.118 360 1HB TYR 76 1HB TYR 76 -1.055 5.104 5.476 361 2HB TYR 76 2HB TYR 76 -0.406 3.484 5.320 362 HD1 TYR 76 HD1 TYR 76 0.335 2.256 7.268 363 HD2 TYR 76 HD2 TYR 76 -0.985 6.288 7.629 364 HE1 TYR 76 HE1 TYR 76 0.219 1.998 9.712 365 HE2 TYR 76 HE2 TYR 76 -1.110 6.035 10.071 366 HH TYR 76 HH TYR 76 -1.350 4.237 11.722 367 H GLY 77 H GLY 77 0.742 6.993 3.576 368 1HA GLY 77 1HA GLY 77 2.257 8.892 5.116 369 2HA GLY 77 2HA GLY 77 1.431 9.206 3.597 370 H LYS 78 H LYS 78 -1.085 8.866 3.972 371 HA LYS 78 HA LYS 78 -1.926 10.287 6.399 372 1HB LYS 78 1HB LYS 78 -2.721 11.023 3.568 373 2HB LYS 78 2HB LYS 78 -3.340 11.775 5.028 374 1HG LYS 78 1HG LYS 78 -0.439 11.832 4.236 375 2HG LYS 78 2HG LYS 78 -1.600 13.079 3.780 376 1HD LYS 78 1HD LYS 78 -2.041 13.546 6.133 377 2HD LYS 78 2HD LYS 78 -0.927 12.263 6.609 378 1HE LYS 78 1HE LYS 78 0.920 13.465 5.562 379 2HE LYS 78 2HE LYS 78 -0.188 14.735 5.046 380 1HZ LYS 78 1HZ LYS 78 1.001 15.384 7.026 381 2HZ LYS 78 2HZ LYS 78 0.446 14.015 7.857 382 3HZ LYS 78 3HZ LYS 78 -0.650 15.216 7.377 383 H PHE 79 H PHE 79 -2.209 7.513 5.845 384 HA PHE 79 HA PHE 79 -3.947 6.744 3.901 385 1HB PHE 79 1HB PHE 79 -2.532 5.225 5.327 386 2HB PHE 79 2HB PHE 79 -3.830 5.269 6.522 387 HD1 PHE 79 HD1 PHE 79 -5.799 3.972 6.237 388 HD2 PHE 79 HD2 PHE 79 -2.992 4.330 3.059 389 HE1 PHE 79 HE1 PHE 79 -6.998 2.226 4.983 390 HE2 PHE 79 HE2 PHE 79 -4.180 2.585 1.804 391 HZ PHE 79 HZ PHE 79 -6.190 1.538 2.758 392 H LYS 80 H LYS 80 -4.969 7.611 7.231 393 HA LYS 80 HA LYS 80 -7.668 6.715 6.640 394 1HB LYS 80 1HB LYS 80 -6.495 6.636 8.957 395 2HB LYS 80 2HB LYS 80 -6.934 8.337 9.059 396 1HG LYS 80 1HG LYS 80 -9.309 7.632 8.591 397 2HG LYS 80 2HG LYS 80 -8.770 5.970 8.819 398 1HD LYS 80 1HD LYS 80 -9.669 6.659 10.890 399 2HD LYS 80 2HD LYS 80 -7.916 6.702 11.087 400 1HE LYS 80 1HE LYS 80 -7.875 9.076 10.836 401 2HE LYS 80 2HE LYS 80 -9.575 9.105 10.363 402 1HZ LYS 80 1HZ LYS 80 -8.486 8.408 13.038 403 2HZ LYS 80 2HZ LYS 80 -10.117 8.261 12.599 404 3HZ LYS 80 3HZ LYS 80 -9.385 9.790 12.628 405 H GLU 81 H GLU 81 -5.837 9.628 6.754 406 HA GLU 81 HA GLU 81 -8.034 11.446 6.513 407 1HB GLU 81 1HB GLU 81 -5.788 12.062 7.419 408 2HB GLU 81 2HB GLU 81 -5.104 11.798 5.823 409 1HG GLU 81 1HG GLU 81 -6.496 13.616 4.946 410 2HG GLU 81 2HG GLU 81 -7.131 13.889 6.570 411 H GLY 82 H GLY 82 -5.949 9.622 4.448 412 1HA GLY 82 1HA GLY 82 -6.458 10.727 1.972 413 2HA GLY 82 2HA GLY 82 -5.994 9.075 2.274 414 H VAL 83 H VAL 83 -8.030 8.188 3.776 415 HA VAL 83 HA VAL 83 -9.974 7.471 1.854 416 HB VAL 83 HB VAL 83 -10.017 7.393 4.726 417 1HG1 VAL 83 1HG1 VAL 83 -11.598 5.886 2.641 418 2HG1 VAL 83 2HG1 VAL 83 -12.240 7.103 3.744 419 3HG1 VAL 83 3HG1 VAL 83 -11.625 5.576 4.377 420 1HG2 VAL 83 1HG2 VAL 83 -9.243 5.098 4.387 421 2HG2 VAL 83 2HG2 VAL 83 -8.072 6.291 3.827 422 3HG2 VAL 83 3HG2 VAL 83 -9.072 5.423 2.662 423 H ALA 84 H ALA 84 -10.024 9.696 4.609 424 HA ALA 84 HA ALA 84 -12.818 10.243 4.307 425 1HB ALA 84 1HB ALA 84 -10.783 11.620 6.054 426 2HB ALA 84 2HB ALA 84 -11.768 10.235 6.523 427 3HB ALA 84 3HB ALA 84 -12.537 11.782 6.170 428 H SER 85 H SER 85 -9.830 11.784 3.419 429 HA SER 85 HA SER 85 -10.998 14.189 2.444 430 1HB SER 85 1HB SER 85 -8.545 13.902 2.811 431 2HB SER 85 2HB SER 85 -8.495 12.795 1.440 432 HG SER 85 HG SER 85 -8.036 15.242 1.222 433 H GLY 86 H GLY 86 -10.485 10.981 1.146 434 1HA GLY 86 1HA GLY 86 -12.014 9.939 -0.311 435 2HA GLY 86 2HA GLY 86 -12.587 11.527 -0.810 436 H ASN 87 H ASN 87 -9.230 11.272 -0.648 437 HA ASN 87 HA ASN 87 -8.782 10.295 -3.280 438 1HB ASN 87 1HB ASN 87 -7.951 12.434 -4.281 439 2HB ASN 87 2HB ASN 87 -9.691 12.376 -4.045 440 1HD2 ASN 87 1HD2 ASN 87 -10.637 13.723 -2.520 441 2HD2 ASN 87 2HD2 ASN 87 -9.791 15.064 -1.822 442 H LEU 88 H LEU 88 -7.627 9.344 -1.224 443 HA LEU 88 HA LEU 88 -5.169 10.374 -0.421 444 1HB LEU 88 1HB LEU 88 -6.537 8.159 0.158 445 2HB LEU 88 2HB LEU 88 -5.363 7.471 -0.953 446 HG LEU 88 HG LEU 88 -4.703 9.105 1.445 447 1HD1 LEU 88 1HD1 LEU 88 -5.735 7.026 2.139 448 2HD1 LEU 88 2HD1 LEU 88 -4.005 6.964 2.475 449 3HD1 LEU 88 3HD1 LEU 88 -4.661 6.111 1.079 450 1HD2 LEU 88 1HD2 LEU 88 -2.964 9.181 -0.255 451 2HD2 LEU 88 2HD2 LEU 88 -2.936 7.419 -0.320 452 3HD2 LEU 88 3HD2 LEU 88 -2.421 8.254 1.144 453 H ASN 89 H ASN 89 -4.096 11.331 -2.134 454 HA ASN 89 HA ASN 89 -2.730 9.424 -3.864 455 1HB ASN 89 1HB ASN 89 -4.488 10.213 -5.295 456 2HB ASN 89 2HB ASN 89 -4.226 11.875 -4.792 457 1HD2 ASN 89 1HD2 ASN 89 -2.694 13.092 -5.782 458 2HD2 ASN 89 2HD2 ASN 89 -1.770 12.544 -7.142 459 H THR 90 H THR 90 -0.721 9.615 -3.022 460 HA THR 90 HA THR 90 0.453 12.311 -2.950 461 HB THR 90 HB THR 90 0.891 10.305 -0.942 462 HG1 THR 90 HG1 THR 90 -1.125 12.248 -1.258 463 1HG2 THR 90 1HG2 THR 90 2.617 11.997 -1.155 464 2HG2 THR 90 2HG2 THR 90 1.672 12.257 0.311 465 3HG2 THR 90 3HG2 THR 90 1.396 13.268 -1.106 466 H MET 91 H MET 91 2.668 12.367 -3.294 467 HA MET 91 HA MET 91 4.032 9.810 -3.761 468 1HB MET 91 1HB MET 91 5.213 10.915 -5.708 469 2HB MET 91 2HB MET 91 3.525 10.501 -5.968 470 1HG MET 91 1HG MET 91 2.929 12.855 -5.472 471 2HG MET 91 2HG MET 91 4.647 13.225 -5.353 472 1HE MET 91 1HE MET 91 4.365 15.156 -7.184 473 2HE MET 91 2HE MET 91 2.644 14.780 -7.233 474 3HE MET 91 3HE MET 91 3.563 14.903 -8.735 475 H PHE 92 H PHE 92 5.981 9.690 -2.856 476 HA PHE 92 HA PHE 92 7.542 11.993 -2.156 477 1HB PHE 92 1HB PHE 92 5.713 12.032 -0.447 478 2HB PHE 92 2HB PHE 92 6.214 10.429 0.076 479 HD1 PHE 92 HD1 PHE 92 7.492 13.895 -0.340 480 HD2 PHE 92 HD2 PHE 92 7.775 10.209 1.763 481 HE1 PHE 92 HE1 PHE 92 9.073 14.922 1.241 482 HE2 PHE 92 HE2 PHE 92 9.364 11.222 3.342 483 HZ PHE 92 HZ PHE 92 10.013 13.586 3.084 484 H GLU 93 H GLU 93 9.597 11.393 -1.290 485 HA GLU 93 HA GLU 93 10.177 8.513 -1.534 486 1HB GLU 93 1HB GLU 93 12.085 10.858 -1.761 487 2HB GLU 93 2HB GLU 93 12.496 9.165 -1.992 488 1HG GLU 93 1HG GLU 93 11.064 9.059 -3.941 489 2HG GLU 93 2HG GLU 93 10.581 10.738 -3.692 490 H TYR 94 H TYR 94 10.338 7.558 0.435 491 HA TYR 94 HA TYR 94 11.671 9.079 2.563 492 1HB TYR 94 1HB TYR 94 10.063 8.361 4.218 493 2HB TYR 94 2HB TYR 94 9.222 9.190 2.915 494 HD1 TYR 94 HD1 TYR 94 9.526 6.138 4.800 495 HD2 TYR 94 HD2 TYR 94 7.957 7.814 1.221 496 HE1 TYR 94 HE1 TYR 94 8.011 4.213 4.568 497 HE2 TYR 94 HE2 TYR 94 6.450 5.891 0.975 498 HH TYR 94 HH TYR 94 6.329 3.540 1.714 499 H THR 95 H THR 95 12.474 7.761 4.324 500 HA THR 95 HA THR 95 13.445 5.172 3.374 501 HB THR 95 HB THR 95 14.676 5.475 5.495 502 HG1 THR 95 HG1 THR 95 13.975 7.318 6.370 503 1HG2 THR 95 1HG2 THR 95 16.381 6.656 4.208 504 2HG2 THR 95 2HG2 THR 95 15.175 7.061 2.984 505 3HG2 THR 95 3HG2 THR 95 15.625 5.377 3.254 506 H PHE 96 H PHE 96 12.039 3.571 3.923 507 HA PHE 96 HA PHE 96 10.551 3.759 6.411 508 1HB PHE 96 1HB PHE 96 9.271 1.881 5.628 509 2HB PHE 96 2HB PHE 96 9.458 3.010 4.292 510 HD1 PHE 96 HD1 PHE 96 9.999 -0.344 5.449 511 HD2 PHE 96 HD2 PHE 96 11.170 2.513 2.522 512 HE1 PHE 96 HE1 PHE 96 10.899 -2.153 4.047 513 HE2 PHE 96 HE2 PHE 96 12.064 0.710 1.112 514 HZ PHE 96 HZ PHE 96 11.910 -1.650 1.891 515 H ASP 97 H ASP 97 13.427 2.333 5.300 516 HA ASP 97 HA ASP 97 13.625 0.787 7.780 517 1HB ASP 97 1HB ASP 97 13.036 -0.576 5.584 518 2HB ASP 97 2HB ASP 97 14.764 -0.407 5.287 519 H TYR 98 H TYR 98 15.551 1.012 8.771 520 HA TYR 98 HA TYR 98 17.560 2.596 7.321 521 1HB TYR 98 1HB TYR 98 16.837 2.626 10.255 522 2HB TYR 98 2HB TYR 98 18.210 3.489 9.569 523 HD1 TYR 98 HD1 TYR 98 17.859 5.441 8.125 524 HD2 TYR 98 HD2 TYR 98 14.585 3.401 9.922 525 HE1 TYR 98 HE1 TYR 98 16.403 7.366 7.646 526 HE2 TYR 98 HE2 TYR 98 13.121 5.318 9.444 527 HH TYR 98 HH TYR 98 14.099 7.942 7.419 528 H GLN 99 H GLN 99 18.884 0.991 6.607 529 HA GLN 99 HA GLN 99 20.153 -0.692 8.664 530 1HB GLN 99 1HB GLN 99 20.005 -1.137 5.670 531 2HB GLN 99 2HB GLN 99 20.763 -2.216 6.830 532 1HG GLN 99 1HG GLN 99 17.836 -1.554 6.650 533 2HG GLN 99 2HG GLN 99 18.607 -3.067 6.182 534 1HE2 GLN 99 1HE2 GLN 99 16.489 -2.541 8.098 535 2HE2 GLN 99 2HE2 GLN 99 17.044 -3.168 9.625 536 H MET 100 H MET 100 22.296 -1.368 6.743 537 HA MET 100 HA MET 100 24.231 0.559 7.259 538 1HB MET 100 1HB MET 100 24.159 -1.168 4.777 539 2HB MET 100 2HB MET 100 25.577 -0.497 5.566 540 1HG MET 100 1HG MET 100 25.558 -2.764 6.125 541 2HG MET 100 2HG MET 100 24.983 -1.925 7.563 542 1HE MET 100 1HE MET 100 23.996 -4.118 4.466 543 2HE MET 100 2HE MET 100 22.997 -2.683 4.238 544 3HE MET 100 3HE MET 100 22.242 -4.225 4.637 545 H THR 101 H THR 101 22.267 0.079 4.348 546 HA THR 101 HA THR 101 22.795 2.842 3.573 547 HB THR 101 HB THR 101 21.438 2.205 1.712 548 HG1 THR 101 HG1 THR 101 21.355 -0.073 1.384 549 1HG2 THR 101 1HG2 THR 101 23.339 1.120 0.646 550 2HG2 THR 101 2HG2 THR 101 24.068 0.836 2.226 551 3HG2 THR 101 3HG2 THR 101 23.854 2.485 1.637 552 HA PRO 102 HA PRO 102 18.697 3.975 4.968 553 1HB PRO 102 1HB PRO 102 18.770 6.215 3.102 554 2HB PRO 102 2HB PRO 102 18.815 6.242 4.867 555 1HG PRO 102 1HG PRO 102 20.948 6.913 3.325 556 2HG PRO 102 2HG PRO 102 21.107 6.202 4.942 557 1HD PRO 102 1HD PRO 102 21.366 4.893 2.259 558 2HD PRO 102 2HD PRO 102 22.334 4.652 3.730 559 H THR 103 H THR 103 17.356 2.429 4.107 560 HA THR 103 HA THR 103 17.018 2.014 1.324 561 HB THR 103 HB THR 103 15.171 1.373 3.426 562 HG1 THR 103 HG1 THR 103 17.796 0.728 3.102 563 1HG2 THR 103 1HG2 THR 103 14.790 -0.566 1.986 564 2HG2 THR 103 2HG2 THR 103 15.930 0.081 0.807 565 3HG2 THR 103 3HG2 THR 103 14.426 0.938 1.140 566 H LYS 104 H LYS 104 16.350 3.721 0.201 567 HA LYS 104 HA LYS 104 14.062 5.280 1.178 568 1HB LYS 104 1HB LYS 104 16.194 6.480 0.728 569 2HB LYS 104 2HB LYS 104 16.095 5.969 -0.950 570 1HG LYS 104 1HG LYS 104 13.969 7.203 -1.166 571 2HG LYS 104 2HG LYS 104 14.171 7.781 0.489 572 1HD LYS 104 1HD LYS 104 16.191 8.240 -1.704 573 2HD LYS 104 2HD LYS 104 14.908 9.382 -1.307 574 1HE LYS 104 1HE LYS 104 16.872 10.131 -0.197 575 2HE LYS 104 2HE LYS 104 15.820 9.441 1.035 576 1HZ LYS 104 1HZ LYS 104 17.146 7.425 0.991 577 2HZ LYS 104 2HZ LYS 104 18.119 8.761 1.340 578 3HZ LYS 104 3HZ LYS 104 18.148 8.068 -0.210 579 H VAL 105 H VAL 105 12.174 4.875 0.271 580 HA VAL 105 HA VAL 105 12.150 3.841 -2.463 581 HB VAL 105 HB VAL 105 9.977 3.209 -2.034 582 1HG1 VAL 105 1HG1 VAL 105 10.675 1.257 -0.710 583 2HG1 VAL 105 2HG1 VAL 105 12.164 2.099 -0.283 584 3HG1 VAL 105 3HG1 VAL 105 11.850 1.663 -1.962 585 1HG2 VAL 105 1HG2 VAL 105 9.416 4.670 -0.189 586 2HG2 VAL 105 2HG2 VAL 105 10.671 3.931 0.804 587 3HG2 VAL 105 3HG2 VAL 105 9.271 2.983 0.302 588 H LYS 106 H LYS 106 10.436 4.497 -3.836 589 HA LYS 106 HA LYS 106 9.534 7.248 -3.294 590 1HB LYS 106 1HB LYS 106 9.720 5.819 -5.964 591 2HB LYS 106 2HB LYS 106 9.230 7.484 -5.724 592 1HG LYS 106 1HG LYS 106 11.394 7.731 -6.438 593 2HG LYS 106 2HG LYS 106 11.607 7.747 -4.688 594 1HD LYS 106 1HD LYS 106 12.396 5.525 -4.662 595 2HD LYS 106 2HD LYS 106 11.839 5.226 -6.309 596 1HE LYS 106 1HE LYS 106 14.231 5.482 -6.317 597 2HE LYS 106 2HE LYS 106 13.497 6.861 -7.130 598 1HZ LYS 106 1HZ LYS 106 13.819 8.183 -5.140 599 2HZ LYS 106 2HZ LYS 106 15.298 7.522 -5.651 600 3HZ LYS 106 3HZ LYS 106 14.481 6.847 -4.331 601 H VAL 107 H VAL 107 7.454 7.292 -2.619 602 HA VAL 107 HA VAL 107 5.778 5.039 -3.464 603 HB VAL 107 HB VAL 107 4.204 5.904 -1.911 604 1HG1 VAL 107 1HG1 VAL 107 5.384 4.704 -0.111 605 2HG1 VAL 107 2HG1 VAL 107 6.885 4.804 -1.030 606 3HG1 VAL 107 3HG1 VAL 107 5.530 3.863 -1.655 607 1HG2 VAL 107 1HG2 VAL 107 5.196 8.103 -1.553 608 2HG2 VAL 107 2HG2 VAL 107 6.641 7.345 -0.879 609 3HG2 VAL 107 3HG2 VAL 107 5.089 7.172 -0.059 610 H HIS 108 H HIS 108 3.947 5.230 -4.496 611 HA HIS 108 HA HIS 108 2.704 7.872 -4.593 612 1HB HIS 108 1HB HIS 108 3.755 7.444 -6.811 613 2HB HIS 108 2HB HIS 108 2.831 5.952 -6.938 614 HD1 HIS 108 HD1 HIS 108 1.777 6.933 -9.139 615 HD2 HIS 108 HD2 HIS 108 0.850 9.022 -5.657 616 HE1 HIS 108 HE1 HIS 108 -0.174 8.416 -9.729 617 HE2 HIS 108 HE2 HIS 108 -0.823 9.541 -7.566 618 H MET 109 H MET 109 1.182 7.467 -3.167 619 HA MET 109 HA MET 109 -0.447 5.035 -3.445 620 1HB MET 109 1HB MET 109 -0.403 7.131 -1.248 621 2HB MET 109 2HB MET 109 -1.368 5.661 -1.240 622 1HG MET 109 1HG MET 109 0.622 4.306 -1.137 623 2HG MET 109 2HG MET 109 1.638 5.738 -1.284 624 1HE MET 109 1HE MET 109 3.038 5.049 0.809 625 2HE MET 109 2HE MET 109 2.074 3.587 1.012 626 3HE MET 109 3HE MET 109 2.351 4.658 2.384 627 H LYS 110 H LYS 110 -2.351 5.272 -4.563 628 HA LYS 110 HA LYS 110 -3.251 8.039 -4.880 629 1HB LYS 110 1HB LYS 110 -3.397 7.879 -7.264 630 2HB LYS 110 2HB LYS 110 -1.760 7.458 -6.788 631 1HG LYS 110 1HG LYS 110 -2.151 5.147 -7.179 632 2HG LYS 110 2HG LYS 110 -3.884 5.415 -7.385 633 1HD LYS 110 1HD LYS 110 -3.365 6.828 -9.370 634 2HD LYS 110 2HD LYS 110 -1.669 6.377 -9.193 635 1HE LYS 110 1HE LYS 110 -2.265 4.024 -9.490 636 2HE LYS 110 2HE LYS 110 -3.963 4.474 -9.655 637 1HZ LYS 110 1HZ LYS 110 -1.785 5.366 -11.464 638 2HZ LYS 110 2HZ LYS 110 -3.441 5.696 -11.643 639 3HZ LYS 110 3HZ LYS 110 -2.869 4.104 -11.797 640 H LYS 111 H LYS 111 -5.350 8.276 -4.769 641 HA LYS 111 HA LYS 111 -7.199 6.341 -4.377 642 1HB LYS 111 1HB LYS 111 -7.616 8.626 -4.009 643 2HB LYS 111 2HB LYS 111 -7.305 9.030 -5.687 644 1HG LYS 111 1HG LYS 111 -9.329 7.503 -6.193 645 2HG LYS 111 2HG LYS 111 -9.709 7.735 -4.482 646 1HD LYS 111 1HD LYS 111 -9.666 10.158 -4.806 647 2HD LYS 111 2HD LYS 111 -9.289 9.920 -6.511 648 1HE LYS 111 1HE LYS 111 -11.792 8.923 -5.158 649 2HE LYS 111 2HE LYS 111 -11.685 10.393 -6.125 650 1HZ LYS 111 1HZ LYS 111 -12.544 8.518 -7.407 651 2HZ LYS 111 2HZ LYS 111 -11.112 7.654 -7.124 652 3HZ LYS 111 3HZ LYS 111 -11.070 9.077 -8.039 653 H ALA 112 H ALA 112 -7.837 4.709 -5.577 654 HA ALA 112 HA ALA 112 -7.076 4.166 -8.177 655 1HB ALA 112 1HB ALA 112 -7.903 2.452 -6.659 656 2HB ALA 112 2HB ALA 112 -8.808 2.434 -8.172 657 3HB ALA 112 3HB ALA 112 -9.522 3.151 -6.727 658 H LEU 113 H LEU 113 -8.177 4.278 -10.181 659 HA LEU 113 HA LEU 113 -9.420 6.761 -10.623 660 1HB LEU 113 1HB LEU 113 -8.096 5.367 -12.271 661 2HB LEU 113 2HB LEU 113 -9.531 4.380 -12.468 662 HG LEU 113 HG LEU 113 -10.760 6.416 -13.234 663 1HD1 LEU 113 1HD1 LEU 113 -9.460 8.375 -13.894 664 2HD1 LEU 113 2HD1 LEU 113 -8.010 7.652 -13.196 665 3HD1 LEU 113 3HD1 LEU 113 -9.365 8.092 -12.156 666 1HD2 LEU 113 1HD2 LEU 113 -9.727 6.479 -15.451 667 2HD2 LEU 113 2HD2 LEU 113 -9.838 4.829 -14.838 668 3HD2 LEU 113 3HD2 LEU 113 -8.292 5.679 -14.809 669 H SER 114 H SER 114 -10.712 3.632 -9.877 670 HA SER 114 HA SER 114 -13.399 4.225 -10.662 671 1HB SER 114 1HB SER 114 -12.421 2.091 -8.752 672 2HB SER 114 2HB SER 114 -13.959 2.118 -9.617 673 HG SER 114 HG SER 114 -12.497 0.792 -10.712 674 H GLY 115 H GLY 115 -12.096 3.563 -7.382 675 1HA GLY 115 1HA GLY 115 -12.476 5.721 -5.946 676 2HA GLY 115 2HA GLY 115 -14.156 5.339 -6.294 677 H ASP 116 H ASP 116 -13.120 5.499 -3.724 678 HA ASP 116 HA ASP 116 -13.081 4.442 -1.727 679 1HB ASP 116 1HB ASP 116 -15.391 3.860 -2.590 680 2HB ASP 116 2HB ASP 116 -14.737 2.291 -3.050 681 H SER 117 H SER 117 -10.944 3.979 -3.358 682 HA SER 117 HA SER 117 -9.687 1.798 -2.056 683 1HB SER 117 1HB SER 117 -9.057 0.659 -4.255 684 2HB SER 117 2HB SER 117 -10.657 0.340 -3.594 685 HG SER 117 HG SER 117 -11.533 1.794 -5.082 686 H TYR 118 H TYR 118 -7.415 1.812 -2.465 687 HA TYR 118 HA TYR 118 -6.407 4.097 -4.000 688 1HB TYR 118 1HB TYR 118 -5.755 3.722 -1.060 689 2HB TYR 118 2HB TYR 118 -5.188 5.021 -2.111 690 HD1 TYR 118 HD1 TYR 118 -7.863 3.814 -0.037 691 HD2 TYR 118 HD2 TYR 118 -6.770 6.733 -2.909 692 HE1 TYR 118 HE1 TYR 118 -9.843 5.151 0.586 693 HE2 TYR 118 HE2 TYR 118 -8.740 8.081 -2.307 694 HH TYR 118 HH TYR 118 -10.632 7.454 0.453 695 H TRP 119 H TRP 119 -4.308 3.845 -4.733 696 HA TRP 119 HA TRP 119 -3.287 1.137 -4.564 697 1HB TRP 119 1HB TRP 119 -2.551 3.543 -6.227 698 2HB TRP 119 2HB TRP 119 -1.692 1.996 -6.311 699 HD1 TRP 119 HD1 TRP 119 -5.324 3.312 -6.833 700 HE1 TRP 119 HE1 TRP 119 -6.349 1.918 -8.765 701 HE3 TRP 119 HE3 TRP 119 -1.421 0.163 -7.714 702 HZ2 TRP 119 HZ2 TRP 119 -5.572 -0.253 -10.415 703 HZ3 TRP 119 HZ3 TRP 119 -1.612 -1.520 -9.451 704 HH2 TRP 119 HH2 TRP 119 -3.648 -1.735 -10.799 705 H VAL 120 H VAL 120 -1.009 0.816 -4.410 706 HA VAL 120 HA VAL 120 0.530 2.851 -2.962 707 HB VAL 120 HB VAL 120 0.496 0.014 -2.459 708 1HG1 VAL 120 1HG1 VAL 120 1.956 0.676 -0.577 709 2HG1 VAL 120 2HG1 VAL 120 1.981 2.324 -1.202 710 3HG1 VAL 120 3HG1 VAL 120 2.687 1.013 -2.146 711 1HG2 VAL 120 1HG2 VAL 120 -0.588 2.308 -0.844 712 2HG2 VAL 120 2HG2 VAL 120 -0.448 0.637 -0.299 713 3HG2 VAL 120 3HG2 VAL 120 -1.531 1.042 -1.630 714 H PHE 121 H PHE 121 1.690 3.322 -4.812 715 HA PHE 121 HA PHE 121 3.242 1.186 -6.073 716 1HB PHE 121 1HB PHE 121 3.120 4.159 -6.625 717 2HB PHE 121 2HB PHE 121 4.157 3.036 -7.483 718 HD1 PHE 121 HD1 PHE 121 0.598 3.739 -6.718 719 HD2 PHE 121 HD2 PHE 121 3.384 1.948 -9.386 720 HE1 PHE 121 HE1 PHE 121 -1.224 3.300 -8.315 721 HE2 PHE 121 HE2 PHE 121 1.572 1.504 -10.987 722 HZ PHE 121 HZ PHE 121 -0.709 2.195 -10.488 723 H VAL 122 H VAL 122 5.358 0.817 -5.574 724 HA VAL 122 HA VAL 122 6.829 2.835 -4.086 725 HB VAL 122 HB VAL 122 5.763 1.632 -2.514 726 1HG1 VAL 122 1HG1 VAL 122 6.253 -0.739 -2.158 727 2HG1 VAL 122 2HG1 VAL 122 7.138 -0.782 -3.682 728 3HG1 VAL 122 3HG1 VAL 122 5.403 -0.466 -3.679 729 1HG2 VAL 122 1HG2 VAL 122 7.703 0.995 -1.207 730 2HG2 VAL 122 2HG2 VAL 122 7.960 2.522 -2.052 731 3HG2 VAL 122 3HG2 VAL 122 8.701 1.042 -2.659 732 H LYS 123 H LYS 123 8.992 2.820 -4.477 733 HA LYS 123 HA LYS 123 10.193 0.547 -5.843 734 1HB LYS 123 1HB LYS 123 10.260 3.352 -6.982 735 2HB LYS 123 2HB LYS 123 11.073 1.946 -7.653 736 1HG LYS 123 1HG LYS 123 8.936 0.914 -8.143 737 2HG LYS 123 2HG LYS 123 8.090 2.273 -7.401 738 1HD LYS 123 1HD LYS 123 9.151 3.762 -9.091 739 2HD LYS 123 2HD LYS 123 9.805 2.323 -9.879 740 1HE LYS 123 1HE LYS 123 7.477 1.469 -10.104 741 2HE LYS 123 2HE LYS 123 6.898 3.007 -9.467 742 1HZ LYS 123 1HZ LYS 123 6.845 2.930 -11.891 743 2HZ LYS 123 2HZ LYS 123 8.520 2.675 -11.931 744 3HZ LYS 123 3HZ LYS 123 7.899 4.140 -11.335 745 H ARG 124 H ARG 124 12.290 0.264 -5.216 746 HA ARG 124 HA ARG 124 13.447 2.393 -3.542 747 1HB ARG 124 1HB ARG 124 14.796 0.707 -2.467 748 2HB ARG 124 2HB ARG 124 13.115 0.199 -2.427 749 1HG ARG 124 1HG ARG 124 13.471 -1.572 -3.809 750 2HG ARG 124 2HG ARG 124 14.779 -0.773 -4.682 751 1HD ARG 124 1HD ARG 124 14.970 -1.833 -1.862 752 2HD ARG 124 2HD ARG 124 15.562 -2.667 -3.299 753 HE ARG 124 HE ARG 124 16.887 -0.397 -3.533 754 1HH1 ARG 124 1HH1 ARG 124 16.341 -2.334 -0.661 755 2HH1 ARG 124 2HH1 ARG 124 17.810 -1.805 0.116 756 1HH2 ARG 124 1HH2 ARG 124 18.818 0.261 -2.540 757 2HH2 ARG 124 2HH2 ARG 124 19.223 -0.340 -0.957 758 H VAL 125 H VAL 125 15.685 2.798 -3.684 759 HA VAL 125 HA VAL 125 16.838 2.118 -6.303 760 HB VAL 125 HB VAL 125 18.342 3.939 -5.724 761 1HG1 VAL 125 1HG1 VAL 125 16.788 5.440 -6.876 762 2HG1 VAL 125 2HG1 VAL 125 15.465 4.323 -6.541 763 3HG1 VAL 125 3HG1 VAL 125 16.786 3.831 -7.599 764 1HG2 VAL 125 1HG2 VAL 125 17.403 5.700 -4.427 765 2HG2 VAL 125 2HG2 VAL 125 17.451 4.254 -3.418 766 3HG2 VAL 125 3HG2 VAL 125 15.929 4.780 -4.141 767 H2 HC4 169 H2 HC4 169 -4.864 -2.689 22.077 768 H3 HC4 169 H3 HC4 169 -5.768 -1.841 23.858 769 H2' HC4 169 H2' HC4 169 -6.640 -0.163 25.373 770 H3' HC4 169 H3' HC4 169 -6.813 2.131 26.226 771 H5' HC4 169 H5' HC4 169 -4.802 3.554 22.757 772 H6' HC4 169 H6' HC4 169 -4.527 1.250 21.978 773 'HO4 HC4 169 'HO4 HC4 169 -5.668 4.346 25.885 Start of MODEL 15 1 H LEU 26 H LEU 26 7.713 -0.705 -18.907 2 HA LEU 26 HA LEU 26 8.783 -2.024 -17.200 3 1HB LEU 26 1HB LEU 26 9.219 0.635 -17.804 4 2HB LEU 26 2HB LEU 26 9.140 0.655 -16.054 5 HG LEU 26 HG LEU 26 11.444 0.472 -16.826 6 1HD1 LEU 26 1HD1 LEU 26 12.125 -1.503 -15.551 7 2HD1 LEU 26 2HD1 LEU 26 10.452 -2.065 -15.540 8 3HD1 LEU 26 3HD1 LEU 26 10.888 -0.571 -14.709 9 1HD2 LEU 26 1HD2 LEU 26 12.230 -1.511 -18.005 10 2HD2 LEU 26 2HD2 LEU 26 11.028 -0.639 -18.958 11 3HD2 LEU 26 3HD2 LEU 26 10.577 -2.116 -18.106 12 H ALA 27 H ALA 27 8.912 -2.671 -15.052 13 HA ALA 27 HA ALA 27 6.499 -2.188 -13.505 14 1HB ALA 27 1HB ALA 27 7.292 -4.005 -12.082 15 2HB ALA 27 2HB ALA 27 8.813 -4.048 -12.975 16 3HB ALA 27 3HB ALA 27 7.305 -4.481 -13.780 17 H PHE 28 H PHE 28 6.430 -1.278 -11.483 18 HA PHE 28 HA PHE 28 8.928 -0.059 -10.489 19 1HB PHE 28 1HB PHE 28 6.143 1.129 -10.291 20 2HB PHE 28 2HB PHE 28 7.629 1.858 -9.697 21 HD1 PHE 28 HD1 PHE 28 9.307 2.715 -11.305 22 HD2 PHE 28 HD2 PHE 28 5.488 1.314 -12.560 23 HE1 PHE 28 HE1 PHE 28 9.591 3.869 -13.458 24 HE2 PHE 28 HE2 PHE 28 5.766 2.474 -14.712 25 HZ PHE 28 HZ PHE 28 7.820 3.750 -15.164 26 H GLY 29 H GLY 29 5.604 -0.881 -9.587 27 1HA GLY 29 1HA GLY 29 5.870 -2.616 -7.561 28 2HA GLY 29 2HA GLY 29 6.313 -1.096 -6.789 29 H ALA 30 H ALA 30 3.851 -2.005 -9.181 30 HA ALA 30 HA ALA 30 2.004 -0.178 -7.876 31 1HB ALA 30 1HB ALA 30 1.687 -1.738 -10.442 32 2HB ALA 30 2HB ALA 30 2.287 -0.085 -10.309 33 3HB ALA 30 3HB ALA 30 0.625 -0.457 -9.856 34 H ILE 31 H ILE 31 1.156 -1.101 -6.103 35 HA ILE 31 HA ILE 31 -0.590 -3.404 -6.630 36 HB ILE 31 HB ILE 31 1.020 -4.053 -5.302 37 1HG1 ILE 31 1HG1 ILE 31 -1.567 -3.598 -3.880 38 2HG1 ILE 31 2HG1 ILE 31 -1.069 -4.980 -4.850 39 1HG2 ILE 31 1HG2 ILE 31 0.369 -1.724 -3.511 40 2HG2 ILE 31 2HG2 ILE 31 1.855 -1.951 -4.433 41 3HG2 ILE 31 3HG2 ILE 31 1.468 -3.045 -3.105 42 1HD1 ILE 31 1HD1 ILE 31 0.150 -4.176 -2.221 43 2HD1 ILE 31 2HD1 ILE 31 0.603 -5.573 -3.198 44 3HD1 ILE 31 3HD1 ILE 31 -1.001 -5.490 -2.469 45 H GLN 32 H GLN 32 -2.677 -3.239 -5.918 46 HA GLN 32 HA GLN 32 -3.376 -0.561 -4.933 47 1HB GLN 32 1HB GLN 32 -5.424 -0.638 -6.212 48 2HB GLN 32 2HB GLN 32 -4.033 -0.876 -7.255 49 1HG GLN 32 1HG GLN 32 -4.889 -2.741 -8.033 50 2HG GLN 32 2HG GLN 32 -4.994 -3.415 -6.402 51 1HE2 GLN 32 1HE2 GLN 32 -6.686 -1.676 -8.904 52 2HE2 GLN 32 2HE2 GLN 32 -8.269 -1.895 -8.249 53 H LEU 33 H LEU 33 -4.716 -0.308 -3.324 54 HA LEU 33 HA LEU 33 -6.016 -2.710 -2.194 55 1HB LEU 33 1HB LEU 33 -5.574 -1.751 0.072 56 2HB LEU 33 2HB LEU 33 -4.160 -2.338 -0.772 57 HG LEU 33 HG LEU 33 -3.770 0.126 -1.434 58 1HD1 LEU 33 1HD1 LEU 33 -4.653 1.767 0.140 59 2HD1 LEU 33 2HD1 LEU 33 -5.631 0.513 0.902 60 3HD1 LEU 33 3HD1 LEU 33 -5.949 0.986 -0.767 61 1HD2 LEU 33 1HD2 LEU 33 -2.394 -1.152 0.144 62 2HD2 LEU 33 2HD2 LEU 33 -3.495 -0.706 1.449 63 3HD2 LEU 33 3HD2 LEU 33 -2.556 0.536 0.622 64 H ASP 34 H ASP 34 -7.800 -2.177 -0.727 65 HA ASP 34 HA ASP 34 -9.238 0.160 -1.749 66 1HB ASP 34 1HB ASP 34 -11.261 -0.812 -0.727 67 2HB ASP 34 2HB ASP 34 -10.516 -1.890 -1.894 68 H GLY 35 H GLY 35 -10.429 1.495 -0.292 69 1HA GLY 35 1HA GLY 35 -8.820 2.241 1.986 70 2HA GLY 35 2HA GLY 35 -10.272 3.055 1.416 71 H ASP 36 H ASP 36 -10.255 -0.355 1.993 72 HA ASP 36 HA ASP 36 -12.084 0.056 4.254 73 1HB ASP 36 1HB ASP 36 -12.745 -1.226 2.088 74 2HB ASP 36 2HB ASP 36 -11.760 -2.529 2.750 75 H GLY 37 H GLY 37 -9.021 -1.204 3.306 76 1HA GLY 37 1HA GLY 37 -7.547 -1.081 5.362 77 2HA GLY 37 2HA GLY 37 -8.682 -2.220 6.058 78 H ASN 38 H ASN 38 -8.270 -2.976 2.796 79 HA ASN 38 HA ASN 38 -5.953 -4.666 3.312 80 1HB ASN 38 1HB ASN 38 -6.993 -6.751 2.865 81 2HB ASN 38 2HB ASN 38 -7.961 -5.954 4.095 82 1HD2 ASN 38 1HD2 ASN 38 -9.337 -4.184 2.269 83 2HD2 ASN 38 2HD2 ASN 38 -10.418 -5.163 1.350 84 H ILE 39 H ILE 39 -5.154 -5.793 1.465 85 HA ILE 39 HA ILE 39 -5.126 -4.154 -0.846 86 HB ILE 39 HB ILE 39 -4.280 -6.867 -0.420 87 1HG1 ILE 39 1HG1 ILE 39 -3.527 -5.070 1.206 88 2HG1 ILE 39 2HG1 ILE 39 -2.293 -6.016 0.407 89 1HG2 ILE 39 1HG2 ILE 39 -4.354 -6.224 -2.779 90 2HG2 ILE 39 2HG2 ILE 39 -2.691 -6.338 -2.202 91 3HG2 ILE 39 3HG2 ILE 39 -3.447 -4.759 -2.406 92 1HD1 ILE 39 1HD1 ILE 39 -1.682 -3.669 0.525 93 2HD1 ILE 39 2HD1 ILE 39 -3.159 -3.232 -0.334 94 3HD1 ILE 39 3HD1 ILE 39 -1.908 -4.169 -1.151 95 H LEU 40 H LEU 40 -5.955 -4.588 -2.883 96 HA LEU 40 HA LEU 40 -8.114 -6.592 -2.930 97 1HB LEU 40 1HB LEU 40 -8.851 -4.244 -3.102 98 2HB LEU 40 2HB LEU 40 -7.858 -4.054 -4.535 99 HG LEU 40 HG LEU 40 -9.244 -5.706 -5.720 100 1HD1 LEU 40 1HD1 LEU 40 -9.926 -7.035 -3.780 101 2HD1 LEU 40 2HD1 LEU 40 -11.313 -6.513 -4.737 102 3HD1 LEU 40 3HD1 LEU 40 -10.927 -5.694 -3.222 103 1HD2 LEU 40 1HD2 LEU 40 -9.817 -3.343 -5.878 104 2HD2 LEU 40 2HD2 LEU 40 -10.825 -3.485 -4.438 105 3HD2 LEU 40 3HD2 LEU 40 -11.268 -4.348 -5.910 106 H GLN 41 H GLN 41 -5.623 -5.033 -4.952 107 HA GLN 41 HA GLN 41 -5.253 -7.586 -6.315 108 1HB GLN 41 1HB GLN 41 -6.906 -6.433 -7.681 109 2HB GLN 41 2HB GLN 41 -5.871 -5.014 -7.774 110 1HG GLN 41 1HG GLN 41 -4.219 -6.273 -9.027 111 2HG GLN 41 2HG GLN 41 -5.204 -7.730 -8.887 112 1HE2 GLN 41 1HE2 GLN 41 -4.283 -6.257 -11.258 113 2HE2 GLN 41 2HE2 GLN 41 -5.718 -5.878 -12.155 114 H TYR 42 H TYR 42 -3.170 -8.018 -6.213 115 HA TYR 42 HA TYR 42 -1.204 -5.853 -6.378 116 1HB TYR 42 1HB TYR 42 -0.820 -7.415 -4.570 117 2HB TYR 42 2HB TYR 42 -0.930 -8.785 -5.669 118 HD1 TYR 42 HD1 TYR 42 1.034 -9.717 -6.470 119 HD2 TYR 42 HD2 TYR 42 1.072 -5.677 -5.146 120 HE1 TYR 42 HE1 TYR 42 3.466 -9.638 -6.816 121 HE2 TYR 42 HE2 TYR 42 3.508 -5.585 -5.490 122 HH TYR 42 HH TYR 42 5.213 -7.922 -7.227 123 H ASN 43 H ASN 43 0.121 -5.592 -8.126 124 HA ASN 43 HA ASN 43 -0.459 -7.346 -10.407 125 1HB ASN 43 1HB ASN 43 0.570 -4.502 -10.423 126 2HB ASN 43 2HB ASN 43 0.212 -5.472 -11.846 127 1HD2 ASN 43 1HD2 ASN 43 -1.072 -3.597 -9.260 128 2HD2 ASN 43 2HD2 ASN 43 -2.714 -3.582 -9.800 129 H ALA 44 H ALA 44 1.049 -8.887 -10.363 130 HA ALA 44 HA ALA 44 3.841 -8.201 -9.911 131 1HB ALA 44 1HB ALA 44 2.973 -10.212 -8.835 132 2HB ALA 44 2HB ALA 44 4.235 -10.619 -9.997 133 3HB ALA 44 3HB ALA 44 2.541 -10.881 -10.409 134 H ALA 45 H ALA 45 4.858 -7.357 -11.602 135 HA ALA 45 HA ALA 45 4.119 -7.949 -14.307 136 1HB ALA 45 1HB ALA 45 6.539 -6.485 -13.256 137 2HB ALA 45 2HB ALA 45 4.992 -5.749 -13.675 138 3HB ALA 45 3HB ALA 45 5.980 -6.503 -14.928 139 H GLU 46 H GLU 46 4.836 -9.526 -15.542 140 HA GLU 46 HA GLU 46 5.879 -11.404 -16.232 141 1HB GLU 46 1HB GLU 46 7.879 -9.927 -16.329 142 2HB GLU 46 2HB GLU 46 8.260 -10.371 -14.672 143 1HG GLU 46 1HG GLU 46 8.626 -12.654 -15.312 144 2HG GLU 46 2HG GLU 46 8.101 -12.315 -16.960 145 H GLY 47 H GLY 47 4.243 -12.284 -14.783 146 1HA GLY 47 1HA GLY 47 5.479 -14.194 -12.966 147 2HA GLY 47 2HA GLY 47 4.297 -13.103 -12.247 148 H ASP 48 H ASP 48 2.285 -13.906 -12.153 149 HA ASP 48 HA ASP 48 1.175 -15.067 -14.548 150 1HB ASP 48 1HB ASP 48 0.312 -17.092 -13.545 151 2HB ASP 48 2HB ASP 48 2.061 -17.057 -13.385 152 H ILE 49 H ILE 49 -0.645 -14.169 -14.904 153 HA ILE 49 HA ILE 49 -2.446 -13.524 -12.683 154 HB ILE 49 HB ILE 49 -3.202 -11.733 -14.092 155 1HG1 ILE 49 1HG1 ILE 49 -1.567 -12.463 -15.998 156 2HG1 ILE 49 2HG1 ILE 49 -1.837 -10.759 -15.666 157 1HG2 ILE 49 1HG2 ILE 49 -0.613 -11.642 -12.565 158 2HG2 ILE 49 2HG2 ILE 49 -2.243 -11.467 -11.911 159 3HG2 ILE 49 3HG2 ILE 49 -1.591 -10.238 -12.994 160 1HD1 ILE 49 1HD1 ILE 49 0.514 -11.234 -16.070 161 2HD1 ILE 49 2HD1 ILE 49 0.524 -12.382 -14.732 162 3HD1 ILE 49 3HD1 ILE 49 0.261 -10.667 -14.420 163 H THR 50 H THR 50 -3.529 -15.431 -13.183 164 HA THR 50 HA THR 50 -4.214 -16.180 -15.826 165 HB THR 50 HB THR 50 -5.749 -17.065 -13.624 166 HG1 THR 50 HG1 THR 50 -3.775 -16.983 -12.614 167 1HG2 THR 50 1HG2 THR 50 -4.265 -18.383 -15.889 168 2HG2 THR 50 2HG2 THR 50 -5.991 -18.024 -15.861 169 3HG2 THR 50 3HG2 THR 50 -5.315 -19.191 -14.724 170 H GLY 51 H GLY 51 -6.297 -16.315 -16.812 171 1HA GLY 51 1HA GLY 51 -7.957 -14.063 -16.544 172 2HA GLY 51 2HA GLY 51 -8.381 -15.545 -17.393 173 H ARG 52 H ARG 52 -8.520 -17.418 -15.520 174 HA ARG 52 HA ARG 52 -10.350 -16.378 -13.458 175 1HB ARG 52 1HB ARG 52 -10.030 -19.248 -14.372 176 2HB ARG 52 2HB ARG 52 -11.261 -18.620 -13.286 177 1HG ARG 52 1HG ARG 52 -12.180 -17.290 -15.146 178 2HG ARG 52 2HG ARG 52 -10.979 -18.010 -16.221 179 1HD ARG 52 1HD ARG 52 -11.893 -20.256 -15.570 180 2HD ARG 52 2HD ARG 52 -13.203 -19.411 -14.747 181 HE ARG 52 HE ARG 52 -12.685 -19.049 -17.625 182 1HH1 ARG 52 1HH1 ARG 52 -14.865 -19.739 -14.968 183 2HH1 ARG 52 2HH1 ARG 52 -16.272 -19.844 -15.987 184 1HH2 ARG 52 1HH2 ARG 52 -14.532 -19.136 -18.949 185 2HH2 ARG 52 2HH2 ARG 52 -16.084 -19.488 -18.248 186 H ASP 53 H ASP 53 -8.671 -15.718 -12.068 187 HA ASP 53 HA ASP 53 -6.658 -17.719 -11.367 188 1HB ASP 53 1HB ASP 53 -6.169 -15.227 -11.945 189 2HB ASP 53 2HB ASP 53 -6.708 -14.912 -10.297 190 HA PRO 54 HA PRO 54 -8.977 -18.648 -7.711 191 1HB PRO 54 1HB PRO 54 -7.310 -20.493 -6.695 192 2HB PRO 54 2HB PRO 54 -8.275 -20.804 -8.142 193 1HG PRO 54 1HG PRO 54 -5.390 -20.037 -7.924 194 2HG PRO 54 2HG PRO 54 -6.150 -21.249 -8.972 195 1HD PRO 54 1HD PRO 54 -5.464 -18.740 -9.810 196 2HD PRO 54 2HD PRO 54 -6.781 -19.691 -10.523 197 H LYS 55 H LYS 55 -6.007 -17.029 -7.824 198 HA LYS 55 HA LYS 55 -5.730 -16.861 -4.927 199 1HB LYS 55 1HB LYS 55 -4.095 -15.486 -7.069 200 2HB LYS 55 2HB LYS 55 -3.700 -15.603 -5.361 201 1HG LYS 55 1HG LYS 55 -3.501 -18.052 -5.614 202 2HG LYS 55 2HG LYS 55 -3.790 -17.864 -7.345 203 1HD LYS 55 1HD LYS 55 -1.500 -16.677 -5.775 204 2HD LYS 55 2HD LYS 55 -1.408 -18.045 -6.886 205 1HE LYS 55 1HE LYS 55 -2.176 -15.218 -7.631 206 2HE LYS 55 2HE LYS 55 -0.600 -15.958 -7.910 207 1HZ LYS 55 1HZ LYS 55 -3.193 -16.697 -9.152 208 2HZ LYS 55 2HZ LYS 55 -1.801 -17.662 -9.264 209 3HZ LYS 55 3HZ LYS 55 -1.803 -16.104 -9.921 210 H GLN 56 H GLN 56 -5.888 -14.896 -3.804 211 HA GLN 56 HA GLN 56 -7.663 -12.944 -5.023 212 1HB GLN 56 1HB GLN 56 -7.988 -13.738 -2.670 213 2HB GLN 56 2HB GLN 56 -6.473 -12.958 -2.241 214 1HG GLN 56 1HG GLN 56 -8.360 -11.581 -1.609 215 2HG GLN 56 2HG GLN 56 -7.404 -10.790 -2.862 216 1HE2 GLN 56 1HE2 GLN 56 -9.096 -9.500 -3.538 217 2HE2 GLN 56 2HE2 GLN 56 -10.463 -10.127 -4.397 218 H VAL 57 H VAL 57 -4.353 -13.423 -4.295 219 HA VAL 57 HA VAL 57 -2.455 -12.257 -4.676 220 HB VAL 57 HB VAL 57 -4.023 -10.633 -6.435 221 1HG1 VAL 57 1HG1 VAL 57 -1.160 -11.584 -6.391 222 2HG1 VAL 57 2HG1 VAL 57 -1.721 -9.947 -6.054 223 3HG1 VAL 57 3HG1 VAL 57 -1.900 -10.621 -7.672 224 1HG2 VAL 57 1HG2 VAL 57 -2.935 -13.402 -6.891 225 2HG2 VAL 57 2HG2 VAL 57 -3.567 -12.329 -8.140 226 3HG2 VAL 57 3HG2 VAL 57 -4.635 -12.931 -6.872 227 H ILE 58 H ILE 58 -2.922 -11.450 -2.460 228 HA ILE 58 HA ILE 58 -3.078 -8.520 -2.463 229 HB ILE 58 HB ILE 58 -4.069 -8.493 -0.475 230 1HG1 ILE 58 1HG1 ILE 58 -3.181 -10.818 0.234 231 2HG1 ILE 58 2HG1 ILE 58 -4.755 -10.291 0.802 232 1HG2 ILE 58 1HG2 ILE 58 -5.441 -8.410 -2.452 233 2HG2 ILE 58 2HG2 ILE 58 -6.286 -9.281 -1.172 234 3HG2 ILE 58 3HG2 ILE 58 -5.536 -10.170 -2.498 235 1HD1 ILE 58 1HD1 ILE 58 -5.792 -11.652 -0.996 236 2HD1 ILE 58 2HD1 ILE 58 -4.879 -12.590 0.186 237 3HD1 ILE 58 3HD1 ILE 58 -4.187 -12.258 -1.398 238 H GLY 59 H GLY 59 -1.896 -7.492 -0.825 239 1HA GLY 59 1HA GLY 59 0.248 -9.099 0.343 240 2HA GLY 59 2HA GLY 59 0.157 -7.339 0.330 241 H LYS 60 H LYS 60 -2.661 -7.442 1.172 242 HA LYS 60 HA LYS 60 -2.291 -8.134 3.999 243 1HB LYS 60 1HB LYS 60 -2.443 -5.757 3.790 244 2HB LYS 60 2HB LYS 60 -3.784 -5.890 2.655 245 1HG LYS 60 1HG LYS 60 -4.569 -5.140 4.824 246 2HG LYS 60 2HG LYS 60 -5.219 -6.736 4.448 247 1HD LYS 60 1HD LYS 60 -4.550 -6.752 6.740 248 2HD LYS 60 2HD LYS 60 -3.381 -7.716 5.839 249 1HE LYS 60 1HE LYS 60 -2.225 -6.300 7.420 250 2HE LYS 60 2HE LYS 60 -1.862 -5.781 5.774 251 1HZ LYS 60 1HZ LYS 60 -3.583 -4.051 6.042 252 2HZ LYS 60 2HZ LYS 60 -2.286 -3.865 7.111 253 3HZ LYS 60 3HZ LYS 60 -3.761 -4.500 7.666 254 H ASN 61 H ASN 61 -3.520 -9.805 4.592 255 HA ASN 61 HA ASN 61 -6.241 -9.936 3.492 256 1HB ASN 61 1HB ASN 61 -6.162 -12.382 3.510 257 2HB ASN 61 2HB ASN 61 -4.938 -11.720 2.442 258 1HD2 ASN 61 1HD2 ASN 61 -5.574 -13.556 5.268 259 2HD2 ASN 61 2HD2 ASN 61 -3.942 -14.020 5.610 260 H PHE 62 H PHE 62 -7.723 -9.828 4.970 261 HA PHE 62 HA PHE 62 -7.143 -9.807 7.744 262 1HB PHE 62 1HB PHE 62 -9.623 -9.646 6.093 263 2HB PHE 62 2HB PHE 62 -9.769 -9.918 7.827 264 HD1 PHE 62 HD1 PHE 62 -9.152 -8.203 9.408 265 HD2 PHE 62 HD2 PHE 62 -8.812 -7.545 5.221 266 HE1 PHE 62 HE1 PHE 62 -8.918 -5.790 9.816 267 HE2 PHE 62 HE2 PHE 62 -8.577 -5.128 5.616 268 HZ PHE 62 HZ PHE 62 -8.628 -4.247 7.917 269 H PHE 63 H PHE 63 -6.286 -11.740 8.397 270 HA PHE 63 HA PHE 63 -7.936 -14.141 8.149 271 1HB PHE 63 1HB PHE 63 -5.474 -14.302 7.796 272 2HB PHE 63 2HB PHE 63 -5.223 -13.763 9.451 273 HD1 PHE 63 HD1 PHE 63 -5.013 -15.330 11.139 274 HD2 PHE 63 HD2 PHE 63 -6.909 -16.445 7.495 275 HE1 PHE 63 HE1 PHE 63 -5.127 -17.660 11.917 276 HE2 PHE 63 HE2 PHE 63 -7.025 -18.778 8.269 277 HZ PHE 63 HZ PHE 63 -6.088 -19.394 10.466 278 H LYS 64 H LYS 64 -6.201 -12.418 10.715 279 HA LYS 64 HA LYS 64 -8.392 -11.679 12.218 280 1HB LYS 64 1HB LYS 64 -8.101 -13.222 14.221 281 2HB LYS 64 2HB LYS 64 -8.954 -13.881 12.835 282 1HG LYS 64 1HG LYS 64 -6.974 -15.114 12.171 283 2HG LYS 64 2HG LYS 64 -6.065 -14.404 13.507 284 1HD LYS 64 1HD LYS 64 -6.925 -16.722 13.929 285 2HD LYS 64 2HD LYS 64 -7.414 -15.518 15.122 286 1HE LYS 64 1HE LYS 64 -9.581 -15.283 13.965 287 2HE LYS 64 2HE LYS 64 -9.084 -16.532 12.824 288 1HZ LYS 64 1HZ LYS 64 -10.525 -17.130 14.886 289 2HZ LYS 64 2HZ LYS 64 -9.031 -17.137 15.698 290 3HZ LYS 64 3HZ LYS 64 -9.287 -18.172 14.378 291 H ASP 65 H ASP 65 -7.014 -9.893 12.138 292 HA ASP 65 HA ASP 65 -4.570 -10.041 13.744 293 1HB ASP 65 1HB ASP 65 -4.339 -9.035 11.521 294 2HB ASP 65 2HB ASP 65 -5.587 -7.856 11.908 295 H VAL 66 H VAL 66 -7.025 -7.529 13.251 296 HA VAL 66 HA VAL 66 -7.811 -5.938 14.659 297 HB VAL 66 HB VAL 66 -9.308 -7.597 14.563 298 1HG1 VAL 66 1HG1 VAL 66 -8.125 -9.467 15.541 299 2HG1 VAL 66 2HG1 VAL 66 -9.638 -9.171 16.398 300 3HG1 VAL 66 3HG1 VAL 66 -8.108 -8.660 17.110 301 1HG2 VAL 66 1HG2 VAL 66 -10.582 -6.956 16.548 302 2HG2 VAL 66 2HG2 VAL 66 -9.851 -5.586 15.714 303 3HG2 VAL 66 3HG2 VAL 66 -9.133 -6.195 17.205 304 H ALA 67 H ALA 67 -5.502 -5.483 15.249 305 HA ALA 67 HA ALA 67 -4.662 -6.075 17.920 306 1HB ALA 67 1HB ALA 67 -3.062 -5.582 16.119 307 2HB ALA 67 2HB ALA 67 -2.861 -4.501 17.499 308 3HB ALA 67 3HB ALA 67 -3.674 -3.929 16.042 309 HA PRO 68 HA PRO 68 -7.013 -2.914 19.955 310 1HB PRO 68 1HB PRO 68 -5.804 -2.936 22.350 311 2HB PRO 68 2HB PRO 68 -6.782 -4.298 21.789 312 1HG PRO 68 1HG PRO 68 -3.807 -3.985 21.815 313 2HG PRO 68 2HG PRO 68 -4.789 -5.401 22.233 314 1HD PRO 68 1HD PRO 68 -3.536 -5.063 19.815 315 2HD PRO 68 2HD PRO 68 -4.985 -6.060 20.052 316 H CYS 69 H CYS 69 -4.239 -2.318 18.557 317 HA CYS 69 HA CYS 69 -4.143 0.444 19.455 318 1HB CYS 69 1HB CYS 69 -1.719 -1.369 19.428 319 2HB CYS 69 2HB CYS 69 -1.643 0.385 19.558 320 H THR 70 H THR 70 -2.858 1.780 17.932 321 HA THR 70 HA THR 70 -2.776 2.606 15.824 322 HB THR 70 HB THR 70 -1.492 1.309 14.324 323 HG1 THR 70 HG1 THR 70 -2.070 -0.684 15.823 324 1HG2 THR 70 1HG2 THR 70 -0.626 3.078 15.719 325 2HG2 THR 70 2HG2 THR 70 0.524 1.745 15.621 326 3HG2 THR 70 3HG2 THR 70 -0.459 1.958 17.070 327 H ASP 71 H ASP 71 -5.166 2.123 15.848 328 HA ASP 71 HA ASP 71 -6.393 0.040 14.523 329 1HB ASP 71 1HB ASP 71 -7.194 2.949 14.677 330 2HB ASP 71 2HB ASP 71 -8.234 1.686 14.027 331 H SER 72 H SER 72 -5.225 3.088 13.137 332 HA SER 72 HA SER 72 -5.926 2.392 10.464 333 1HB SER 72 1HB SER 72 -3.938 4.466 11.433 334 2HB SER 72 2HB SER 72 -4.689 4.399 9.839 335 HG SER 72 HG SER 72 -6.714 4.747 10.859 336 HA PRO 73 HA PRO 73 -2.313 -0.245 9.992 337 1HB PRO 73 1HB PRO 73 -3.424 -1.136 7.499 338 2HB PRO 73 2HB PRO 73 -3.385 -1.994 9.039 339 1HG PRO 73 1HG PRO 73 -5.680 -1.077 7.829 340 2HG PRO 73 2HG PRO 73 -5.518 -1.393 9.565 341 1HD PRO 73 1HD PRO 73 -5.382 1.208 8.090 342 2HD PRO 73 2HD PRO 73 -6.128 0.835 9.660 343 H GLU 74 H GLU 74 -2.042 2.470 9.278 344 HA GLU 74 HA GLU 74 -1.111 2.402 6.491 345 1HB GLU 74 1HB GLU 74 -1.376 4.852 6.511 346 2HB GLU 74 2HB GLU 74 -2.882 4.011 6.839 347 1HG GLU 74 1HG GLU 74 -2.782 4.544 9.144 348 2HG GLU 74 2HG GLU 74 -1.127 5.135 8.999 349 H PHE 75 H PHE 75 0.829 3.292 5.925 350 HA PHE 75 HA PHE 75 2.531 4.620 7.816 351 1HB PHE 75 1HB PHE 75 2.848 2.080 8.166 352 2HB PHE 75 2HB PHE 75 3.592 2.072 6.573 353 HD1 PHE 75 HD1 PHE 75 3.828 3.895 9.818 354 HD2 PHE 75 HD2 PHE 75 5.878 2.302 6.444 355 HE1 PHE 75 HE1 PHE 75 5.981 4.511 10.838 356 HE2 PHE 75 HE2 PHE 75 8.033 2.917 7.458 357 HZ PHE 75 HZ PHE 75 8.088 4.023 9.660 358 H TYR 76 H TYR 76 1.304 5.532 5.577 359 HA TYR 76 HA TYR 76 3.391 5.531 3.498 360 1HB TYR 76 1HB TYR 76 0.464 5.994 2.963 361 2HB TYR 76 2HB TYR 76 1.731 5.620 1.802 362 HD1 TYR 76 HD1 TYR 76 2.806 3.262 1.980 363 HD2 TYR 76 HD2 TYR 76 -0.883 4.315 3.816 364 HE1 TYR 76 HE1 TYR 76 2.197 0.882 2.115 365 HE2 TYR 76 HE2 TYR 76 -1.499 1.941 3.965 366 HH TYR 76 HH TYR 76 -0.910 -0.190 2.738 367 H GLY 77 H GLY 77 0.548 7.510 3.215 368 1HA GLY 77 1HA GLY 77 2.018 9.858 4.198 369 2HA GLY 77 2HA GLY 77 1.365 9.867 2.563 370 H LYS 78 H LYS 78 0.241 8.925 5.785 371 HA LYS 78 HA LYS 78 -1.690 9.219 6.907 372 1HB LYS 78 1HB LYS 78 -1.907 11.703 5.199 373 2HB LYS 78 2HB LYS 78 -2.936 11.342 6.580 374 1HG LYS 78 1HG LYS 78 -0.979 11.346 8.045 375 2HG LYS 78 2HG LYS 78 0.052 11.704 6.660 376 1HD LYS 78 1HD LYS 78 -0.394 13.730 7.890 377 2HD LYS 78 2HD LYS 78 -1.191 13.809 6.318 378 1HE LYS 78 1HE LYS 78 -3.312 13.204 7.347 379 2HE LYS 78 2HE LYS 78 -2.521 13.050 8.918 380 1HZ LYS 78 1HZ LYS 78 -1.980 15.396 8.845 381 2HZ LYS 78 2HZ LYS 78 -3.652 15.183 8.674 382 3HZ LYS 78 3HZ LYS 78 -2.704 15.550 7.320 383 H PHE 79 H PHE 79 -2.621 7.382 6.161 384 HA PHE 79 HA PHE 79 -3.864 7.213 3.581 385 1HB PHE 79 1HB PHE 79 -2.813 5.249 4.535 386 2HB PHE 79 2HB PHE 79 -3.867 5.325 5.941 387 HD1 PHE 79 HD1 PHE 79 -5.927 4.229 5.948 388 HD2 PHE 79 HD2 PHE 79 -3.868 4.802 2.269 389 HE1 PHE 79 HE1 PHE 79 -7.537 2.753 4.819 390 HE2 PHE 79 HE2 PHE 79 -5.478 3.329 1.132 391 HZ PHE 79 HZ PHE 79 -7.324 2.319 2.401 392 H LYS 80 H LYS 80 -5.080 7.166 6.947 393 HA LYS 80 HA LYS 80 -7.807 7.036 6.243 394 1HB LYS 80 1HB LYS 80 -6.947 6.518 8.503 395 2HB LYS 80 2HB LYS 80 -6.584 8.221 8.744 396 1HG LYS 80 1HG LYS 80 -8.675 7.527 9.840 397 2HG LYS 80 2HG LYS 80 -8.926 8.788 8.630 398 1HD LYS 80 1HD LYS 80 -9.609 7.038 7.011 399 2HD LYS 80 2HD LYS 80 -9.447 5.832 8.288 400 1HE LYS 80 1HE LYS 80 -11.271 8.222 8.453 401 2HE LYS 80 2HE LYS 80 -11.786 6.635 7.882 402 1HZ LYS 80 1HZ LYS 80 -10.612 7.142 10.565 403 2HZ LYS 80 2HZ LYS 80 -11.290 5.694 10.003 404 3HZ LYS 80 3HZ LYS 80 -12.274 7.052 10.249 405 H GLU 81 H GLU 81 -5.571 9.688 6.485 406 HA GLU 81 HA GLU 81 -7.562 11.748 6.301 407 1HB GLU 81 1HB GLU 81 -5.364 12.205 7.309 408 2HB GLU 81 2HB GLU 81 -4.575 11.806 5.789 409 1HG GLU 81 1HG GLU 81 -4.643 14.173 6.006 410 2HG GLU 81 2HG GLU 81 -5.764 13.702 4.731 411 H GLY 82 H GLY 82 -5.477 9.958 4.147 412 1HA GLY 82 1HA GLY 82 -5.945 11.273 1.764 413 2HA GLY 82 2HA GLY 82 -5.544 9.583 1.925 414 H VAL 83 H VAL 83 -7.645 8.691 3.370 415 HA VAL 83 HA VAL 83 -9.606 8.164 1.414 416 HB VAL 83 HB VAL 83 -9.687 7.998 4.281 417 1HG1 VAL 83 1HG1 VAL 83 -11.448 6.342 3.864 418 2HG1 VAL 83 2HG1 VAL 83 -11.378 6.700 2.139 419 3HG1 VAL 83 3HG1 VAL 83 -11.925 7.935 3.273 420 1HG2 VAL 83 1HG2 VAL 83 -9.090 5.675 3.877 421 2HG2 VAL 83 2HG2 VAL 83 -7.837 6.776 3.302 422 3HG2 VAL 83 3HG2 VAL 83 -8.936 6.016 2.152 423 H ALA 84 H ALA 84 -9.623 10.279 4.270 424 HA ALA 84 HA ALA 84 -12.376 10.977 3.883 425 1HB ALA 84 1HB ALA 84 -11.455 10.805 6.135 426 2HB ALA 84 2HB ALA 84 -12.076 12.428 5.830 427 3HB ALA 84 3HB ALA 84 -10.339 12.125 5.787 428 H SER 85 H SER 85 -9.278 12.360 3.125 429 HA SER 85 HA SER 85 -10.235 14.891 2.259 430 1HB SER 85 1HB SER 85 -7.862 13.294 1.254 431 2HB SER 85 2HB SER 85 -8.171 14.991 0.877 432 HG SER 85 HG SER 85 -7.582 13.818 3.389 433 H GLY 86 H GLY 86 -10.353 11.710 0.912 434 1HA GLY 86 1HA GLY 86 -11.764 10.926 -0.735 435 2HA GLY 86 2HA GLY 86 -12.319 12.574 -0.994 436 H ASN 87 H ASN 87 -8.922 11.941 -1.100 437 HA ASN 87 HA ASN 87 -8.795 11.348 -3.874 438 1HB ASN 87 1HB ASN 87 -7.902 13.452 -4.735 439 2HB ASN 87 2HB ASN 87 -9.510 13.694 -4.073 440 1HD2 ASN 87 1HD2 ASN 87 -9.767 14.939 -2.213 441 2HD2 ASN 87 2HD2 ASN 87 -8.502 15.953 -1.604 442 H LEU 88 H LEU 88 -7.674 10.071 -1.872 443 HA LEU 88 HA LEU 88 -5.123 10.778 -1.045 444 1HB LEU 88 1HB LEU 88 -6.737 8.755 -0.495 445 2HB LEU 88 2HB LEU 88 -5.688 7.930 -1.636 446 HG LEU 88 HG LEU 88 -4.777 9.408 0.786 447 1HD1 LEU 88 1HD1 LEU 88 -4.345 7.162 1.740 448 2HD1 LEU 88 2HD1 LEU 88 -5.148 6.450 0.340 449 3HD1 LEU 88 3HD1 LEU 88 -6.057 7.472 1.455 450 1HD2 LEU 88 1HD2 LEU 88 -3.053 9.318 -0.906 451 2HD2 LEU 88 2HD2 LEU 88 -3.276 7.576 -1.072 452 3HD2 LEU 88 3HD2 LEU 88 -2.638 8.245 0.429 453 H ASN 89 H ASN 89 -3.921 11.658 -2.765 454 HA ASN 89 HA ASN 89 -2.532 9.556 -4.198 455 1HB ASN 89 1HB ASN 89 -2.802 10.432 -6.359 456 2HB ASN 89 2HB ASN 89 -4.407 10.569 -5.648 457 1HD2 ASN 89 1HD2 ASN 89 -5.128 12.647 -4.972 458 2HD2 ASN 89 2HD2 ASN 89 -4.489 14.070 -5.713 459 H THR 90 H THR 90 -0.591 9.777 -3.165 460 HA THR 90 HA THR 90 0.772 12.343 -3.368 461 HB THR 90 HB THR 90 0.633 10.975 -0.850 462 HG1 THR 90 HG1 THR 90 -1.180 12.766 -2.060 463 1HG2 THR 90 1HG2 THR 90 1.307 13.787 -1.694 464 2HG2 THR 90 2HG2 THR 90 2.464 12.545 -1.221 465 3HG2 THR 90 3HG2 THR 90 1.312 13.166 -0.040 466 H MET 91 H MET 91 3.032 12.165 -3.081 467 HA MET 91 HA MET 91 4.033 9.401 -2.976 468 1HB MET 91 1HB MET 91 6.070 10.209 -4.067 469 2HB MET 91 2HB MET 91 4.652 10.574 -5.037 470 1HG MET 91 1HG MET 91 4.714 12.873 -4.365 471 2HG MET 91 2HG MET 91 6.007 12.544 -3.213 472 1HE MET 91 1HE MET 91 7.362 14.595 -4.270 473 2HE MET 91 2HE MET 91 6.070 14.863 -5.441 474 3HE MET 91 3HE MET 91 7.742 14.728 -5.988 475 H PHE 92 H PHE 92 4.997 8.790 -1.175 476 HA PHE 92 HA PHE 92 6.416 10.825 0.415 477 1HB PHE 92 1HB PHE 92 4.305 9.861 1.480 478 2HB PHE 92 2HB PHE 92 5.158 8.323 1.556 479 HD1 PHE 92 HD1 PHE 92 5.248 11.833 2.699 480 HD2 PHE 92 HD2 PHE 92 6.672 7.872 3.285 481 HE1 PHE 92 HE1 PHE 92 6.250 12.517 4.841 482 HE2 PHE 92 HE2 PHE 92 7.679 8.544 5.424 483 HZ PHE 92 HZ PHE 92 7.469 10.870 6.203 484 H GLU 93 H GLU 93 8.528 10.523 0.203 485 HA GLU 93 HA GLU 93 9.484 7.801 -0.392 486 1HB GLU 93 1HB GLU 93 10.998 10.385 -0.804 487 2HB GLU 93 2HB GLU 93 11.372 8.801 -1.473 488 1HG GLU 93 1HG GLU 93 9.363 8.895 -2.846 489 2HG GLU 93 2HG GLU 93 8.965 10.472 -2.166 490 H TYR 94 H TYR 94 10.136 6.817 1.441 491 HA TYR 94 HA TYR 94 11.827 8.384 3.253 492 1HB TYR 94 1HB TYR 94 10.823 7.266 5.189 493 2HB TYR 94 2HB TYR 94 9.629 8.187 4.286 494 HD1 TYR 94 HD1 TYR 94 10.459 5.008 5.687 495 HD2 TYR 94 HD2 TYR 94 8.100 6.883 2.682 496 HE1 TYR 94 HE1 TYR 94 9.015 3.022 5.586 497 HE2 TYR 94 HE2 TYR 94 6.649 4.902 2.578 498 HH TYR 94 HH TYR 94 6.558 2.565 4.893 499 H THR 95 H THR 95 13.662 7.501 3.811 500 HA THR 95 HA THR 95 14.340 4.857 2.843 501 HB THR 95 HB THR 95 15.875 6.650 4.481 502 HG1 THR 95 HG1 THR 95 14.927 7.562 2.455 503 1HG2 THR 95 1HG2 THR 95 16.753 4.388 4.260 504 2HG2 THR 95 2HG2 THR 95 17.733 5.546 3.360 505 3HG2 THR 95 3HG2 THR 95 16.603 4.495 2.507 506 H PHE 96 H PHE 96 14.918 3.117 4.169 507 HA PHE 96 HA PHE 96 13.523 2.907 6.621 508 1HB PHE 96 1HB PHE 96 15.637 1.137 5.387 509 2HB PHE 96 2HB PHE 96 14.763 0.731 6.860 510 HD1 PHE 96 HD1 PHE 96 12.153 0.775 6.658 511 HD2 PHE 96 HD2 PHE 96 14.818 0.428 3.362 512 HE1 PHE 96 HE1 PHE 96 10.350 -0.216 5.310 513 HE2 PHE 96 HE2 PHE 96 13.021 -0.564 2.005 514 HZ PHE 96 HZ PHE 96 10.769 -0.872 2.985 515 H ASP 97 H ASP 97 14.120 3.210 8.670 516 HA ASP 97 HA ASP 97 16.483 4.705 9.217 517 1HB ASP 97 1HB ASP 97 14.449 5.070 10.513 518 2HB ASP 97 2HB ASP 97 14.491 3.407 11.092 519 H TYR 98 H TYR 98 18.433 3.856 9.315 520 HA TYR 98 HA TYR 98 18.941 1.448 10.817 521 1HB TYR 98 1HB TYR 98 18.288 0.592 8.568 522 2HB TYR 98 2HB TYR 98 19.594 1.533 7.859 523 HD1 TYR 98 HD1 TYR 98 21.790 0.694 7.792 524 HD2 TYR 98 HD2 TYR 98 18.870 -1.268 10.185 525 HE1 TYR 98 HE1 TYR 98 23.346 -1.178 8.144 526 HE2 TYR 98 HE2 TYR 98 20.416 -3.146 10.545 527 HH TYR 98 HH TYR 98 23.703 -2.990 9.831 528 H GLN 99 H GLN 99 20.456 3.461 8.285 529 HA GLN 99 HA GLN 99 22.371 4.500 10.156 530 1HB GLN 99 1HB GLN 99 23.391 2.343 9.666 531 2HB GLN 99 2HB GLN 99 23.283 2.657 7.942 532 1HG GLN 99 1HG GLN 99 24.872 4.464 8.131 533 2HG GLN 99 2HG GLN 99 24.918 4.268 9.883 534 1HE2 GLN 99 1HE2 GLN 99 26.016 2.553 10.773 535 2HE2 GLN 99 2HE2 GLN 99 27.119 1.574 9.860 536 H MET 100 H MET 100 22.650 3.977 6.638 537 HA MET 100 HA MET 100 22.427 6.905 6.324 538 1HB MET 100 1HB MET 100 24.160 4.971 4.774 539 2HB MET 100 2HB MET 100 23.937 6.661 4.350 540 1HG MET 100 1HG MET 100 24.960 7.357 6.422 541 2HG MET 100 2HG MET 100 25.100 5.679 6.946 542 1HE MET 100 1HE MET 100 27.415 7.425 3.351 543 2HE MET 100 2HE MET 100 26.321 8.376 4.356 544 3HE MET 100 3HE MET 100 25.682 7.096 3.327 545 H THR 101 H THR 101 22.698 4.551 3.738 546 HA THR 101 HA THR 101 19.818 4.749 3.221 547 HB THR 101 HB THR 101 20.657 4.641 0.868 548 HG1 THR 101 HG1 THR 101 22.466 6.550 1.662 549 1HG2 THR 101 1HG2 THR 101 20.378 7.119 2.552 550 2HG2 THR 101 2HG2 THR 101 19.069 6.226 1.780 551 3HG2 THR 101 3HG2 THR 101 20.274 7.054 0.793 552 HA PRO 102 HA PRO 102 20.976 0.372 2.662 553 1HB PRO 102 1HB PRO 102 18.521 -0.256 4.033 554 2HB PRO 102 2HB PRO 102 20.174 -0.533 4.584 555 1HG PRO 102 1HG PRO 102 18.438 1.253 5.745 556 2HG PRO 102 2HG PRO 102 20.203 1.372 5.838 557 1HD PRO 102 1HD PRO 102 18.294 2.827 4.049 558 2HD PRO 102 2HD PRO 102 19.747 3.432 4.878 559 H THR 103 H THR 103 17.562 1.329 2.861 560 HA THR 103 HA THR 103 17.277 0.991 -0.012 561 HB THR 103 HB THR 103 15.499 -0.156 1.937 562 HG1 THR 103 HG1 THR 103 17.727 -1.101 0.513 563 1HG2 THR 103 1HG2 THR 103 14.498 -1.181 -0.026 564 2HG2 THR 103 2HG2 THR 103 15.617 -0.297 -1.064 565 3HG2 THR 103 3HG2 THR 103 14.414 0.579 -0.119 566 H LYS 104 H LYS 104 16.178 2.677 -0.802 567 HA LYS 104 HA LYS 104 14.466 4.206 1.049 568 1HB LYS 104 1HB LYS 104 16.258 5.523 -0.019 569 2HB LYS 104 2HB LYS 104 15.653 5.055 -1.603 570 1HG LYS 104 1HG LYS 104 13.476 6.148 -0.983 571 2HG LYS 104 2HG LYS 104 14.288 6.787 0.445 572 1HD LYS 104 1HD LYS 104 15.289 7.256 -2.354 573 2HD LYS 104 2HD LYS 104 14.133 8.324 -1.564 574 1HE LYS 104 1HE LYS 104 16.263 9.299 -1.246 575 2HE LYS 104 2HE LYS 104 15.817 8.577 0.297 576 1HZ LYS 104 1HZ LYS 104 17.267 6.746 -0.126 577 2HZ LYS 104 2HZ LYS 104 18.144 8.171 -0.381 578 3HZ LYS 104 3HZ LYS 104 17.583 7.278 -1.704 579 H VAL 105 H VAL 105 12.347 3.831 0.841 580 HA VAL 105 HA VAL 105 11.388 2.987 -1.773 581 HB VAL 105 HB VAL 105 9.398 2.530 -0.750 582 1HG1 VAL 105 1HG1 VAL 105 11.073 0.820 -1.138 583 2HG1 VAL 105 2HG1 VAL 105 10.250 0.522 0.393 584 3HG1 VAL 105 3HG1 VAL 105 11.870 1.220 0.384 585 1HG2 VAL 105 1HG2 VAL 105 10.871 3.169 1.798 586 2HG2 VAL 105 2HG2 VAL 105 9.307 2.362 1.688 587 3HG2 VAL 105 3HG2 VAL 105 9.476 4.031 1.146 588 H LYS 106 H LYS 106 9.461 3.876 -2.600 589 HA LYS 106 HA LYS 106 8.741 6.502 -1.541 590 1HB LYS 106 1HB LYS 106 8.576 7.374 -3.885 591 2HB LYS 106 2HB LYS 106 10.215 7.042 -3.352 592 1HG LYS 106 1HG LYS 106 10.125 4.890 -4.569 593 2HG LYS 106 2HG LYS 106 8.536 5.345 -5.179 594 1HD LYS 106 1HD LYS 106 10.969 7.064 -5.594 595 2HD LYS 106 2HD LYS 106 10.543 5.764 -6.703 596 1HE LYS 106 1HE LYS 106 9.643 7.728 -7.645 597 2HE LYS 106 2HE LYS 106 8.280 6.878 -6.925 598 1HZ LYS 106 1HZ LYS 106 9.733 9.150 -5.669 599 2HZ LYS 106 2HZ LYS 106 8.368 8.365 -5.046 600 3HZ LYS 106 3HZ LYS 106 8.242 9.264 -6.472 601 H VAL 107 H VAL 107 6.685 6.513 -1.086 602 HA VAL 107 HA VAL 107 4.934 4.514 -2.335 603 HB VAL 107 HB VAL 107 4.043 6.442 -0.448 604 1HG1 VAL 107 1HG1 VAL 107 2.509 4.882 -1.500 605 2HG1 VAL 107 2HG1 VAL 107 2.688 4.527 0.218 606 3HG1 VAL 107 3HG1 VAL 107 3.507 3.522 -0.978 607 1HG2 VAL 107 1HG2 VAL 107 4.783 4.913 1.361 608 2HG2 VAL 107 2HG2 VAL 107 6.117 5.748 0.565 609 3HG2 VAL 107 3HG2 VAL 107 5.784 4.057 0.190 610 H HIS 108 H HIS 108 4.217 5.304 -4.286 611 HA HIS 108 HA HIS 108 2.908 7.927 -4.109 612 1HB HIS 108 1HB HIS 108 4.402 7.560 -6.079 613 2HB HIS 108 2HB HIS 108 3.374 6.220 -6.574 614 HD1 HIS 108 HD1 HIS 108 2.944 7.540 -8.816 615 HD2 HIS 108 HD2 HIS 108 1.509 9.397 -5.380 616 HE1 HIS 108 HE1 HIS 108 1.365 9.325 -9.617 617 HE2 HIS 108 HE2 HIS 108 0.670 10.562 -7.533 618 H MET 109 H MET 109 1.043 7.586 -3.122 619 HA MET 109 HA MET 109 -0.571 5.268 -3.856 620 1HB MET 109 1HB MET 109 -1.016 7.432 -1.788 621 2HB MET 109 2HB MET 109 -2.125 6.104 -2.092 622 1HG MET 109 1HG MET 109 -0.197 4.557 -1.558 623 2HG MET 109 2HG MET 109 0.647 5.985 -0.960 624 1HE MET 109 1HE MET 109 -3.282 4.333 0.794 625 2HE MET 109 2HE MET 109 -2.378 3.564 -0.511 626 3HE MET 109 3HE MET 109 -3.185 5.108 -0.787 627 H LYS 110 H LYS 110 -2.626 5.475 -4.810 628 HA LYS 110 HA LYS 110 -3.323 8.136 -5.752 629 1HB LYS 110 1HB LYS 110 -1.639 6.983 -7.358 630 2HB LYS 110 2HB LYS 110 -2.996 5.950 -7.792 631 1HG LYS 110 1HG LYS 110 -4.273 7.885 -8.491 632 2HG LYS 110 2HG LYS 110 -2.956 8.949 -8.000 633 1HD LYS 110 1HD LYS 110 -1.497 7.688 -9.629 634 2HD LYS 110 2HD LYS 110 -2.976 6.935 -10.232 635 1HE LYS 110 1HE LYS 110 -2.321 9.877 -10.198 636 2HE LYS 110 2HE LYS 110 -2.408 8.830 -11.614 637 1HZ LYS 110 1HZ LYS 110 -4.763 8.544 -11.238 638 2HZ LYS 110 2HZ LYS 110 -4.396 10.194 -11.343 639 3HZ LYS 110 3HZ LYS 110 -4.696 9.492 -9.833 640 H LYS 111 H LYS 111 -5.413 8.283 -5.358 641 HA LYS 111 HA LYS 111 -7.094 6.255 -4.682 642 1HB LYS 111 1HB LYS 111 -7.467 8.591 -4.272 643 2HB LYS 111 2HB LYS 111 -7.616 8.905 -5.990 644 1HG LYS 111 1HG LYS 111 -9.618 7.348 -5.946 645 2HG LYS 111 2HG LYS 111 -9.523 7.461 -4.184 646 1HD LYS 111 1HD LYS 111 -9.521 9.987 -4.525 647 2HD LYS 111 2HD LYS 111 -10.040 9.639 -6.179 648 1HE LYS 111 1HE LYS 111 -11.911 8.278 -5.236 649 2HE LYS 111 2HE LYS 111 -11.460 8.864 -3.638 650 1HZ LYS 111 1HZ LYS 111 -11.874 11.122 -4.405 651 2HZ LYS 111 2HZ LYS 111 -13.259 10.154 -4.551 652 3HZ LYS 111 3HZ LYS 111 -12.340 10.532 -5.927 653 H ALA 112 H ALA 112 -8.035 4.690 -5.737 654 HA ALA 112 HA ALA 112 -7.535 4.250 -8.491 655 1HB ALA 112 1HB ALA 112 -9.368 2.768 -6.602 656 2HB ALA 112 2HB ALA 112 -7.663 2.417 -6.885 657 3HB ALA 112 3HB ALA 112 -8.833 2.201 -8.186 658 H LEU 113 H LEU 113 -9.005 4.231 -10.221 659 HA LEU 113 HA LEU 113 -11.185 6.094 -9.994 660 1HB LEU 113 1HB LEU 113 -10.116 4.458 -12.279 661 2HB LEU 113 2HB LEU 113 -11.550 5.454 -12.435 662 HG LEU 113 HG LEU 113 -8.803 6.474 -11.702 663 1HD1 LEU 113 1HD1 LEU 113 -8.883 5.719 -14.007 664 2HD1 LEU 113 2HD1 LEU 113 -8.836 7.482 -13.937 665 3HD1 LEU 113 3HD1 LEU 113 -10.354 6.652 -14.280 666 1HD2 LEU 113 1HD2 LEU 113 -9.797 8.684 -12.039 667 2HD2 LEU 113 2HD2 LEU 113 -10.601 7.811 -10.735 668 3HD2 LEU 113 3HD2 LEU 113 -11.371 7.935 -12.318 669 H SER 114 H SER 114 -10.978 3.042 -9.030 670 HA SER 114 HA SER 114 -13.475 2.006 -9.997 671 1HB SER 114 1HB SER 114 -11.556 0.553 -9.324 672 2HB SER 114 2HB SER 114 -11.793 1.074 -7.656 673 HG SER 114 HG SER 114 -13.519 -0.460 -9.299 674 H GLY 115 H GLY 115 -12.309 3.054 -6.775 675 1HA GLY 115 1HA GLY 115 -13.822 4.915 -5.889 676 2HA GLY 115 2HA GLY 115 -15.097 3.719 -6.091 677 H ASP 116 H ASP 116 -13.408 5.174 -3.839 678 HA ASP 116 HA ASP 116 -12.718 4.782 -1.731 679 1HB ASP 116 1HB ASP 116 -14.874 2.729 -2.061 680 2HB ASP 116 2HB ASP 116 -13.946 2.799 -0.564 681 H SER 117 H SER 117 -11.172 3.752 -3.748 682 HA SER 117 HA SER 117 -9.628 1.823 -2.235 683 1HB SER 117 1HB SER 117 -9.081 0.726 -4.509 684 2HB SER 117 2HB SER 117 -10.583 0.301 -3.696 685 HG SER 117 HG SER 117 -11.537 0.906 -5.451 686 H TYR 118 H TYR 118 -7.383 1.879 -2.787 687 HA TYR 118 HA TYR 118 -6.513 4.236 -4.291 688 1HB TYR 118 1HB TYR 118 -5.613 3.815 -1.432 689 2HB TYR 118 2HB TYR 118 -5.308 5.211 -2.471 690 HD1 TYR 118 HD1 TYR 118 -7.606 3.615 -0.212 691 HD2 TYR 118 HD2 TYR 118 -7.115 6.779 -2.982 692 HE1 TYR 118 HE1 TYR 118 -9.575 4.744 0.754 693 HE2 TYR 118 HE2 TYR 118 -9.079 7.934 -2.036 694 HH TYR 118 HH TYR 118 -11.040 7.472 -0.739 695 H TRP 119 H TRP 119 -4.521 3.982 -5.228 696 HA TRP 119 HA TRP 119 -3.406 1.326 -5.054 697 1HB TRP 119 1HB TRP 119 -2.777 3.739 -6.752 698 2HB TRP 119 2HB TRP 119 -1.884 2.214 -6.858 699 HD1 TRP 119 HD1 TRP 119 -5.554 3.463 -7.310 700 HE1 TRP 119 HE1 TRP 119 -6.594 2.043 -9.210 701 HE3 TRP 119 HE3 TRP 119 -1.638 0.327 -8.206 702 HZ2 TRP 119 HZ2 TRP 119 -5.823 -0.136 -10.850 703 HZ3 TRP 119 HZ3 TRP 119 -1.844 -1.370 -9.924 704 HH2 TRP 119 HH2 TRP 119 -3.895 -1.615 -11.239 705 H VAL 120 H VAL 120 -1.126 1.056 -4.967 706 HA VAL 120 HA VAL 120 0.389 3.090 -3.479 707 HB VAL 120 HB VAL 120 0.373 0.237 -3.057 708 1HG1 VAL 120 1HG1 VAL 120 1.840 2.488 -1.678 709 2HG1 VAL 120 2HG1 VAL 120 2.568 1.298 -2.755 710 3HG1 VAL 120 3HG1 VAL 120 1.879 0.786 -1.214 711 1HG2 VAL 120 1HG2 VAL 120 -0.563 0.797 -0.876 712 2HG2 VAL 120 2HG2 VAL 120 -1.647 1.252 -2.191 713 3HG2 VAL 120 3HG2 VAL 120 -0.693 2.486 -1.368 714 H PHE 121 H PHE 121 1.637 3.657 -5.231 715 HA PHE 121 HA PHE 121 2.972 1.510 -6.723 716 1HB PHE 121 1HB PHE 121 3.126 4.488 -7.201 717 2HB PHE 121 2HB PHE 121 3.658 3.218 -8.286 718 HD1 PHE 121 HD1 PHE 121 1.009 5.402 -7.407 719 HD2 PHE 121 HD2 PHE 121 1.855 1.643 -9.207 720 HE1 PHE 121 HE1 PHE 121 -1.181 5.463 -8.532 721 HE2 PHE 121 HE2 PHE 121 -0.330 1.688 -10.341 722 HZ PHE 121 HZ PHE 121 -1.853 3.600 -10.004 723 H VAL 122 H VAL 122 4.652 0.800 -5.511 724 HA VAL 122 HA VAL 122 6.304 2.811 -4.159 725 HB VAL 122 HB VAL 122 7.336 1.043 -3.120 726 1HG1 VAL 122 1HG1 VAL 122 4.334 1.219 -2.887 727 2HG1 VAL 122 2HG1 VAL 122 5.502 2.287 -2.108 728 3HG1 VAL 122 3HG1 VAL 122 5.424 0.584 -1.655 729 1HG2 VAL 122 1HG2 VAL 122 5.200 -0.639 -4.406 730 2HG2 VAL 122 2HG2 VAL 122 6.339 -1.155 -3.163 731 3HG2 VAL 122 3HG2 VAL 122 6.923 -0.714 -4.768 732 H LYS 123 H LYS 123 8.572 2.588 -4.162 733 HA LYS 123 HA LYS 123 9.811 0.857 -6.111 734 1HB LYS 123 1HB LYS 123 9.339 2.863 -7.440 735 2HB LYS 123 2HB LYS 123 10.127 3.866 -6.232 736 1HG LYS 123 1HG LYS 123 11.624 3.593 -8.054 737 2HG LYS 123 2HG LYS 123 12.246 2.648 -6.701 738 1HD LYS 123 1HD LYS 123 11.277 0.615 -7.697 739 2HD LYS 123 2HD LYS 123 10.701 1.574 -9.062 740 1HE LYS 123 1HE LYS 123 13.019 2.187 -9.590 741 2HE LYS 123 2HE LYS 123 13.579 1.196 -8.243 742 1HZ LYS 123 1HZ LYS 123 12.549 -0.736 -9.352 743 2HZ LYS 123 2HZ LYS 123 13.792 -0.031 -10.267 744 3HZ LYS 123 3HZ LYS 123 12.173 0.249 -10.682 745 H ARG 124 H ARG 124 11.518 -0.029 -5.103 746 HA ARG 124 HA ARG 124 12.605 1.433 -2.798 747 1HB ARG 124 1HB ARG 124 13.380 -0.798 -1.986 748 2HB ARG 124 2HB ARG 124 11.636 -0.619 -2.070 749 1HG ARG 124 1HG ARG 124 11.516 -1.971 -4.024 750 2HG ARG 124 2HG ARG 124 13.274 -1.982 -4.189 751 1HD ARG 124 1HD ARG 124 11.757 -3.139 -1.852 752 2HD ARG 124 2HD ARG 124 12.358 -4.076 -3.220 753 HE ARG 124 HE ARG 124 14.607 -2.944 -2.419 754 1HH1 ARG 124 1HH1 ARG 124 12.074 -4.411 -0.472 755 2HH1 ARG 124 2HH1 ARG 124 13.168 -4.889 0.792 756 1HH2 ARG 124 1HH2 ARG 124 16.029 -3.608 -0.790 757 2HH2 ARG 124 2HH2 ARG 124 15.430 -4.472 0.595 758 H VAL 125 H VAL 125 14.542 2.254 -2.979 759 HA VAL 125 HA VAL 125 16.424 1.069 -4.907 760 HB VAL 125 HB VAL 125 16.534 3.585 -3.516 761 1HG1 VAL 125 1HG1 VAL 125 18.220 4.049 -5.255 762 2HG1 VAL 125 2HG1 VAL 125 18.086 2.379 -5.804 763 3HG1 VAL 125 3HG1 VAL 125 18.700 2.729 -4.188 764 1HG2 VAL 125 1HG2 VAL 125 14.600 3.543 -4.963 765 2HG2 VAL 125 2HG2 VAL 125 15.576 2.908 -6.286 766 3HG2 VAL 125 3HG2 VAL 125 15.873 4.536 -5.676 767 H2 HC4 169 H2 HC4 169 -1.364 -2.096 23.801 768 H3 HC4 169 H3 HC4 169 0.463 -2.861 24.678 769 H2' HC4 169 H2' HC4 169 2.830 -3.185 25.043 770 H3' HC4 169 H3' HC4 169 5.187 -3.043 24.378 771 H5' HC4 169 H5' HC4 169 4.065 -0.760 20.963 772 H6' HC4 169 H6' HC4 169 1.713 -0.969 21.603 773 'HO4 HC4 169 'HO4 HC4 169 6.529 -2.615 22.340 Start of MODEL 16 1 H LEU 26 H LEU 26 13.135 -9.443 -8.929 2 HA LEU 26 HA LEU 26 13.192 -6.628 -9.839 3 1HB LEU 26 1HB LEU 26 11.549 -9.001 -10.716 4 2HB LEU 26 2HB LEU 26 11.056 -7.350 -11.028 5 HG LEU 26 HG LEU 26 13.232 -7.046 -12.283 6 1HD1 LEU 26 1HD1 LEU 26 14.342 -9.063 -13.103 7 2HD1 LEU 26 2HD1 LEU 26 13.317 -10.052 -12.062 8 3HD1 LEU 26 3HD1 LEU 26 14.469 -8.922 -11.350 9 1HD2 LEU 26 1HD2 LEU 26 12.391 -8.129 -14.293 10 2HD2 LEU 26 2HD2 LEU 26 11.083 -7.363 -13.391 11 3HD2 LEU 26 3HD2 LEU 26 11.299 -9.112 -13.318 12 H ALA 27 H ALA 27 11.954 -5.286 -8.707 13 HA ALA 27 HA ALA 27 10.405 -6.413 -6.492 14 1HB ALA 27 1HB ALA 27 11.287 -3.577 -7.015 15 2HB ALA 27 2HB ALA 27 12.059 -4.721 -5.916 16 3HB ALA 27 3HB ALA 27 10.429 -4.135 -5.580 17 H PHE 28 H PHE 28 8.301 -6.678 -6.754 18 HA PHE 28 HA PHE 28 6.856 -5.247 -8.813 19 1HB PHE 28 1HB PHE 28 5.803 -7.143 -6.696 20 2HB PHE 28 2HB PHE 28 4.937 -6.592 -8.126 21 HD1 PHE 28 HD1 PHE 28 5.661 -7.348 -10.371 22 HD2 PHE 28 HD2 PHE 28 7.343 -8.937 -6.800 23 HE1 PHE 28 HE1 PHE 28 6.525 -9.269 -11.640 24 HE2 PHE 28 HE2 PHE 28 8.207 -10.862 -8.063 25 HZ PHE 28 HZ PHE 28 7.824 -11.019 -10.486 26 H GLY 29 H GLY 29 6.629 -3.136 -8.329 27 1HA GLY 29 1HA GLY 29 6.047 -2.387 -5.555 28 2HA GLY 29 2HA GLY 29 6.685 -1.323 -6.796 29 H ALA 30 H ALA 30 4.207 -3.023 -8.199 30 HA ALA 30 HA ALA 30 2.439 -0.719 -7.722 31 1HB ALA 30 1HB ALA 30 3.180 -1.049 -10.044 32 2HB ALA 30 2HB ALA 30 1.432 -1.216 -9.879 33 3HB ALA 30 3HB ALA 30 2.444 -2.651 -10.046 34 H ILE 31 H ILE 31 1.128 -1.273 -6.061 35 HA ILE 31 HA ILE 31 -0.590 -3.608 -6.498 36 HB ILE 31 HB ILE 31 0.916 -4.197 -5.005 37 1HG1 ILE 31 1HG1 ILE 31 -1.802 -3.670 -3.893 38 2HG1 ILE 31 2HG1 ILE 31 -1.195 -5.118 -4.692 39 1HG2 ILE 31 1HG2 ILE 31 1.114 -3.072 -2.811 40 2HG2 ILE 31 2HG2 ILE 31 0.117 -1.759 -3.438 41 3HG2 ILE 31 3HG2 ILE 31 1.698 -2.084 -4.151 42 1HD1 ILE 31 1HD1 ILE 31 -0.326 -4.099 -2.000 43 2HD1 ILE 31 2HD1 ILE 31 0.289 -5.543 -2.806 44 3HD1 ILE 31 3HD1 ILE 31 -1.400 -5.464 -2.304 45 H GLN 32 H GLN 32 -2.707 -3.366 -5.945 46 HA GLN 32 HA GLN 32 -3.466 -0.648 -5.116 47 1HB GLN 32 1HB GLN 32 -5.547 -0.933 -6.374 48 2HB GLN 32 2HB GLN 32 -4.133 -1.079 -7.400 49 1HG GLN 32 1HG GLN 32 -4.398 -3.375 -7.644 50 2HG GLN 32 2HG GLN 32 -5.537 -3.479 -6.300 51 1HE2 GLN 32 1HE2 GLN 32 -7.659 -2.668 -6.625 52 2HE2 GLN 32 2HE2 GLN 32 -8.327 -2.524 -8.216 53 H LEU 33 H LEU 33 -4.723 -0.366 -3.420 54 HA LEU 33 HA LEU 33 -6.155 -2.706 -2.312 55 1HB LEU 33 1HB LEU 33 -5.776 -1.633 -0.054 56 2HB LEU 33 2HB LEU 33 -4.395 -2.406 -0.801 57 HG LEU 33 HG LEU 33 -4.718 0.518 -1.227 58 1HD1 LEU 33 1HD1 LEU 33 -3.746 -0.720 1.351 59 2HD1 LEU 33 2HD1 LEU 33 -5.182 0.285 1.154 60 3HD1 LEU 33 3HD1 LEU 33 -3.579 0.977 0.903 61 1HD2 LEU 33 1HD2 LEU 33 -2.896 -0.706 -2.288 62 2HD2 LEU 33 2HD2 LEU 33 -2.361 -1.295 -0.713 63 3HD2 LEU 33 3HD2 LEU 33 -2.275 0.426 -1.087 64 H ASP 34 H ASP 34 -7.913 -2.054 -0.841 65 HA ASP 34 HA ASP 34 -9.415 0.106 -2.117 66 1HB ASP 34 1HB ASP 34 -11.372 -0.791 -0.902 67 2HB ASP 34 2HB ASP 34 -10.603 -2.001 -1.920 68 H GLY 35 H GLY 35 -10.622 1.611 -0.859 69 1HA GLY 35 1HA GLY 35 -9.027 2.730 1.269 70 2HA GLY 35 2HA GLY 35 -10.483 3.426 0.572 71 H ASP 36 H ASP 36 -10.870 0.209 1.410 72 HA ASP 36 HA ASP 36 -12.522 0.924 3.696 73 1HB ASP 36 1HB ASP 36 -13.310 -0.581 1.823 74 2HB ASP 36 2HB ASP 36 -12.145 -1.774 2.384 75 H GLY 37 H GLY 37 -9.536 -0.611 2.854 76 1HA GLY 37 1HA GLY 37 -7.838 -0.422 4.665 77 2HA GLY 37 2HA GLY 37 -9.043 -1.142 5.724 78 H ASN 38 H ASN 38 -8.748 -2.277 2.457 79 HA ASN 38 HA ASN 38 -7.301 -4.671 3.400 80 1HB ASN 38 1HB ASN 38 -9.614 -4.823 1.468 81 2HB ASN 38 2HB ASN 38 -8.848 -6.134 2.354 82 1HD2 ASN 38 1HD2 ASN 38 -11.048 -3.460 2.517 83 2HD2 ASN 38 2HD2 ASN 38 -11.806 -3.899 4.012 84 H ILE 39 H ILE 39 -6.158 -5.800 1.754 85 HA ILE 39 HA ILE 39 -5.320 -4.209 -0.488 86 HB ILE 39 HB ILE 39 -4.943 -6.967 0.252 87 1HG1 ILE 39 1HG1 ILE 39 -3.915 -5.354 1.730 88 2HG1 ILE 39 2HG1 ILE 39 -2.699 -6.181 0.769 89 1HG2 ILE 39 1HG2 ILE 39 -3.224 -7.003 -1.493 90 2HG2 ILE 39 2HG2 ILE 39 -3.709 -5.388 -2.010 91 3HG2 ILE 39 3HG2 ILE 39 -4.825 -6.742 -2.188 92 1HD1 ILE 39 1HD1 ILE 39 -2.179 -3.831 0.972 93 2HD1 ILE 39 2HD1 ILE 39 -3.751 -3.403 0.298 94 3HD1 ILE 39 3HD1 ILE 39 -2.558 -4.229 -0.705 95 H LEU 40 H LEU 40 -5.958 -4.417 -2.631 96 HA LEU 40 HA LEU 40 -8.477 -5.897 -2.942 97 1HB LEU 40 1HB LEU 40 -8.526 -3.419 -3.200 98 2HB LEU 40 2HB LEU 40 -7.447 -3.576 -4.573 99 HG LEU 40 HG LEU 40 -9.145 -4.794 -5.818 100 1HD1 LEU 40 1HD1 LEU 40 -10.847 -4.445 -3.356 101 2HD1 LEU 40 2HD1 LEU 40 -10.221 -5.969 -3.984 102 3HD1 LEU 40 3HD1 LEU 40 -11.412 -5.055 -4.910 103 1HD2 LEU 40 1HD2 LEU 40 -10.780 -3.001 -6.078 104 2HD2 LEU 40 2HD2 LEU 40 -9.145 -2.354 -5.937 105 3HD2 LEU 40 3HD2 LEU 40 -10.242 -2.286 -4.559 106 H GLN 41 H GLN 41 -5.519 -5.037 -4.736 107 HA GLN 41 HA GLN 41 -5.495 -7.669 -5.931 108 1HB GLN 41 1HB GLN 41 -6.991 -6.530 -7.468 109 2HB GLN 41 2HB GLN 41 -5.847 -5.208 -7.653 110 1HG GLN 41 1HG GLN 41 -4.258 -6.721 -8.713 111 2HG GLN 41 2HG GLN 41 -5.386 -8.059 -8.504 112 1HE2 GLN 41 1HE2 GLN 41 -6.434 -4.838 -9.357 113 2HE2 GLN 41 2HE2 GLN 41 -6.914 -5.217 -10.971 114 H TYR 42 H TYR 42 -3.487 -8.343 -6.095 115 HA TYR 42 HA TYR 42 -1.311 -6.386 -5.978 116 1HB TYR 42 1HB TYR 42 -1.302 -8.191 -4.293 117 2HB TYR 42 2HB TYR 42 -1.276 -9.391 -5.578 118 HD1 TYR 42 HD1 TYR 42 0.764 -10.314 -6.128 119 HD2 TYR 42 HD2 TYR 42 0.670 -6.400 -4.463 120 HE1 TYR 42 HE1 TYR 42 3.220 -10.276 -6.107 121 HE2 TYR 42 HE2 TYR 42 3.133 -6.354 -4.434 122 HH TYR 42 HH TYR 42 5.033 -8.615 -6.088 123 H ASN 43 H ASN 43 -0.210 -5.920 -7.794 124 HA ASN 43 HA ASN 43 -1.042 -7.387 -10.183 125 1HB ASN 43 1HB ASN 43 0.335 -4.703 -10.037 126 2HB ASN 43 2HB ASN 43 -0.427 -5.427 -11.446 127 1HD2 ASN 43 1HD2 ASN 43 -0.897 -3.757 -8.476 128 2HD2 ASN 43 2HD2 ASN 43 -2.584 -3.429 -8.682 129 H ALA 44 H ALA 44 0.269 -8.805 -11.026 130 HA ALA 44 HA ALA 44 3.160 -8.241 -11.005 131 1HB ALA 44 1HB ALA 44 1.823 -10.946 -11.167 132 2HB ALA 44 2HB ALA 44 2.602 -10.274 -9.734 133 3HB ALA 44 3HB ALA 44 3.561 -10.636 -11.168 134 H ALA 45 H ALA 45 2.874 -6.951 -12.869 135 HA ALA 45 HA ALA 45 2.715 -8.446 -15.347 136 1HB ALA 45 1HB ALA 45 0.793 -6.192 -14.783 137 2HB ALA 45 2HB ALA 45 0.372 -7.902 -14.905 138 3HB ALA 45 3HB ALA 45 0.978 -7.038 -16.319 139 H GLU 46 H GLU 46 4.835 -7.832 -15.625 140 HA GLU 46 HA GLU 46 5.350 -4.959 -15.990 141 1HB GLU 46 1HB GLU 46 7.189 -7.297 -15.462 142 2HB GLU 46 2HB GLU 46 7.786 -5.726 -15.967 143 1HG GLU 46 1HG GLU 46 7.986 -6.006 -13.570 144 2HG GLU 46 2HG GLU 46 6.860 -4.710 -13.956 145 H GLY 47 H GLY 47 4.037 -6.943 -17.846 146 1HA GLY 47 1HA GLY 47 4.269 -6.546 -20.293 147 2HA GLY 47 2HA GLY 47 5.989 -6.845 -20.069 148 H ASP 48 H ASP 48 4.547 -8.828 -17.980 149 HA ASP 48 HA ASP 48 4.173 -11.023 -19.883 150 1HB ASP 48 1HB ASP 48 6.484 -11.049 -18.838 151 2HB ASP 48 2HB ASP 48 5.699 -11.286 -17.283 152 H ILE 49 H ILE 49 2.665 -12.526 -19.254 153 HA ILE 49 HA ILE 49 0.532 -11.627 -17.695 154 HB ILE 49 HB ILE 49 1.279 -14.336 -18.294 155 1HG1 ILE 49 1HG1 ILE 49 -0.137 -12.213 -19.901 156 2HG1 ILE 49 2HG1 ILE 49 1.402 -12.970 -20.285 157 1HG2 ILE 49 1HG2 ILE 49 -1.150 -14.666 -18.218 158 2HG2 ILE 49 2HG2 ILE 49 -1.366 -12.981 -17.745 159 3HG2 ILE 49 3HG2 ILE 49 -0.535 -14.100 -16.665 160 1HD1 ILE 49 1HD1 ILE 49 -0.411 -13.856 -21.650 161 2HD1 ILE 49 2HD1 ILE 49 -1.256 -14.380 -20.192 162 3HD1 ILE 49 3HD1 ILE 49 0.294 -15.103 -20.622 163 H THR 50 H THR 50 3.196 -13.812 -16.953 164 HA THR 50 HA THR 50 4.092 -14.590 -15.040 165 HB THR 50 HB THR 50 2.353 -12.777 -13.651 166 HG1 THR 50 HG1 THR 50 3.397 -11.581 -15.241 167 1HG2 THR 50 1HG2 THR 50 3.606 -14.371 -12.284 168 2HG2 THR 50 2HG2 THR 50 4.214 -12.727 -12.090 169 3HG2 THR 50 3HG2 THR 50 5.098 -13.882 -13.088 170 H GLY 51 H GLY 51 3.685 -16.105 -13.369 171 1HA GLY 51 1HA GLY 51 1.352 -17.648 -13.688 172 2HA GLY 51 2HA GLY 51 2.538 -17.837 -12.406 173 H ARG 52 H ARG 52 -0.619 -17.299 -12.979 174 HA ARG 52 HA ARG 52 -1.240 -15.303 -11.049 175 1HB ARG 52 1HB ARG 52 -3.555 -16.040 -11.307 176 2HB ARG 52 2HB ARG 52 -2.782 -15.867 -12.877 177 1HG ARG 52 1HG ARG 52 -2.541 -18.244 -13.086 178 2HG ARG 52 2HG ARG 52 -3.118 -18.490 -11.435 179 1HD ARG 52 1HD ARG 52 -5.273 -17.428 -12.121 180 2HD ARG 52 2HD ARG 52 -4.682 -17.431 -13.782 181 HE ARG 52 HE ARG 52 -4.574 -19.904 -13.581 182 1HH1 ARG 52 1HH1 ARG 52 -6.645 -18.076 -11.422 183 2HH1 ARG 52 2HH1 ARG 52 -7.736 -19.399 -11.138 184 1HH2 ARG 52 1HH2 ARG 52 -6.022 -21.641 -13.230 185 2HH2 ARG 52 2HH2 ARG 52 -7.404 -21.417 -12.194 186 H ASP 53 H ASP 53 -1.676 -15.473 -8.904 187 HA ASP 53 HA ASP 53 -2.028 -18.091 -7.694 188 1HB ASP 53 1HB ASP 53 0.425 -17.762 -7.700 189 2HB ASP 53 2HB ASP 53 0.214 -16.251 -6.822 190 HA PRO 54 HA PRO 54 -4.927 -15.405 -5.677 191 1HB PRO 54 1HB PRO 54 -6.123 -17.288 -4.142 192 2HB PRO 54 2HB PRO 54 -6.419 -17.135 -5.876 193 1HG PRO 54 1HG PRO 54 -4.616 -19.028 -4.420 194 2HG PRO 54 2HG PRO 54 -5.711 -19.348 -5.778 195 1HD PRO 54 1HD PRO 54 -3.040 -19.014 -6.094 196 2HD PRO 54 2HD PRO 54 -4.218 -18.539 -7.335 197 H LYS 55 H LYS 55 -2.410 -17.159 -4.102 198 HA LYS 55 HA LYS 55 -3.067 -15.884 -1.561 199 1HB LYS 55 1HB LYS 55 -1.266 -18.211 -2.198 200 2HB LYS 55 2HB LYS 55 -1.308 -17.446 -0.614 201 1HG LYS 55 1HG LYS 55 -3.699 -18.676 -1.970 202 2HG LYS 55 2HG LYS 55 -2.688 -19.495 -0.775 203 1HD LYS 55 1HD LYS 55 -3.266 -17.876 0.906 204 2HD LYS 55 2HD LYS 55 -4.132 -16.892 -0.274 205 1HE LYS 55 1HE LYS 55 -5.755 -18.682 -0.587 206 2HE LYS 55 2HE LYS 55 -4.879 -19.687 0.568 207 1HZ LYS 55 1HZ LYS 55 -6.859 -18.492 1.476 208 2HZ LYS 55 2HZ LYS 55 -6.018 -17.036 1.261 209 3HZ LYS 55 3HZ LYS 55 -5.417 -18.215 2.320 210 H GLN 56 H GLN 56 -1.529 -15.125 -4.137 211 HA GLN 56 HA GLN 56 0.831 -13.939 -2.875 212 1HB GLN 56 1HB GLN 56 0.898 -15.098 -5.161 213 2HB GLN 56 2HB GLN 56 0.017 -13.706 -5.774 214 1HG GLN 56 1HG GLN 56 2.358 -13.441 -6.227 215 2HG GLN 56 2HG GLN 56 1.855 -12.247 -5.032 216 1HE2 GLN 56 1HE2 GLN 56 2.628 -12.394 -2.932 217 2HE2 GLN 56 2HE2 GLN 56 3.936 -13.439 -2.498 218 H VAL 57 H VAL 57 -2.316 -13.250 -4.001 219 HA VAL 57 HA VAL 57 -1.905 -10.361 -3.851 220 HB VAL 57 HB VAL 57 -4.008 -10.154 -4.650 221 1HG1 VAL 57 1HG1 VAL 57 -2.295 -12.122 -6.163 222 2HG1 VAL 57 2HG1 VAL 57 -2.150 -10.365 -6.192 223 3HG1 VAL 57 3HG1 VAL 57 -3.584 -11.142 -6.862 224 1HG2 VAL 57 1HG2 VAL 57 -4.170 -13.149 -4.826 225 2HG2 VAL 57 2HG2 VAL 57 -5.397 -11.967 -5.277 226 3HG2 VAL 57 3HG2 VAL 57 -4.973 -12.193 -3.581 227 H ILE 58 H ILE 58 -4.012 -9.254 -2.893 228 HA ILE 58 HA ILE 58 -4.834 -8.562 -0.896 229 HB ILE 58 HB ILE 58 -6.545 -9.901 -0.117 230 1HG1 ILE 58 1HG1 ILE 58 -5.628 -11.789 -2.288 231 2HG1 ILE 58 2HG1 ILE 58 -5.700 -12.137 -0.564 232 1HG2 ILE 58 1HG2 ILE 58 -7.833 -9.615 -2.181 233 2HG2 ILE 58 2HG2 ILE 58 -6.331 -9.417 -3.084 234 3HG2 ILE 58 3HG2 ILE 58 -6.789 -8.230 -1.862 235 1HD1 ILE 58 1HD1 ILE 58 -7.555 -13.151 -1.733 236 2HD1 ILE 58 2HD1 ILE 58 -8.040 -11.579 -2.368 237 3HD1 ILE 58 3HD1 ILE 58 -8.135 -11.897 -0.636 238 H GLY 59 H GLY 59 -2.671 -8.818 0.012 239 1HA GLY 59 1HA GLY 59 -2.192 -10.927 1.890 240 2HA GLY 59 2HA GLY 59 -1.277 -9.431 1.752 241 H LYS 60 H LYS 60 -3.505 -7.663 2.084 242 HA LYS 60 HA LYS 60 -3.788 -7.880 4.968 243 1HB LYS 60 1HB LYS 60 -3.147 -5.717 4.233 244 2HB LYS 60 2HB LYS 60 -4.373 -5.694 2.979 245 1HG LYS 60 1HG LYS 60 -4.989 -4.194 4.748 246 2HG LYS 60 2HG LYS 60 -6.113 -5.551 4.710 247 1HD LYS 60 1HD LYS 60 -4.965 -6.576 6.599 248 2HD LYS 60 2HD LYS 60 -3.780 -5.267 6.606 249 1HE LYS 60 1HE LYS 60 -5.557 -3.656 7.071 250 2HE LYS 60 2HE LYS 60 -6.742 -4.956 7.063 251 1HZ LYS 60 1HZ LYS 60 -6.033 -4.276 9.304 252 2HZ LYS 60 2HZ LYS 60 -4.456 -4.782 8.952 253 3HZ LYS 60 3HZ LYS 60 -5.724 -5.908 8.991 254 H ASN 61 H ASN 61 -5.232 -9.544 5.218 255 HA ASN 61 HA ASN 61 -8.008 -8.777 4.695 256 1HB ASN 61 1HB ASN 61 -7.437 -10.410 2.951 257 2HB ASN 61 2HB ASN 61 -6.865 -11.535 4.179 258 1HD2 ASN 61 1HD2 ASN 61 -8.279 -13.149 3.745 259 2HD2 ASN 61 2HD2 ASN 61 -9.980 -13.035 4.040 260 H PHE 62 H PHE 62 -8.278 -8.227 6.786 261 HA PHE 62 HA PHE 62 -9.293 -10.064 8.545 262 1HB PHE 62 1HB PHE 62 -7.647 -10.159 10.371 263 2HB PHE 62 2HB PHE 62 -7.025 -10.925 8.918 264 HD1 PHE 62 HD1 PHE 62 -6.576 -8.280 11.345 265 HD2 PHE 62 HD2 PHE 62 -5.267 -9.799 7.591 266 HE1 PHE 62 HE1 PHE 62 -4.569 -6.863 11.477 267 HE2 PHE 62 HE2 PHE 62 -3.254 -8.392 7.719 268 HZ PHE 62 HZ PHE 62 -2.842 -7.018 9.739 269 H PHE 63 H PHE 63 -10.476 -8.982 10.043 270 HA PHE 63 HA PHE 63 -10.277 -6.062 9.829 271 1HB PHE 63 1HB PHE 63 -12.604 -7.740 10.795 272 2HB PHE 63 2HB PHE 63 -12.623 -6.008 10.466 273 HD1 PHE 63 HD1 PHE 63 -12.036 -5.291 8.051 274 HD2 PHE 63 HD2 PHE 63 -13.222 -9.228 9.146 275 HE1 PHE 63 HE1 PHE 63 -12.698 -5.733 5.724 276 HE2 PHE 63 HE2 PHE 63 -13.886 -9.679 6.822 277 HZ PHE 63 HZ PHE 63 -13.578 -7.952 5.097 278 H LYS 64 H LYS 64 -10.330 -8.685 12.155 279 HA LYS 64 HA LYS 64 -10.037 -6.706 14.304 280 1HB LYS 64 1HB LYS 64 -10.838 -9.610 14.413 281 2HB LYS 64 2HB LYS 64 -10.495 -8.641 15.840 282 1HG LYS 64 1HG LYS 64 -12.292 -7.054 15.003 283 2HG LYS 64 2HG LYS 64 -12.734 -8.332 13.867 284 1HD LYS 64 1HD LYS 64 -14.117 -8.441 15.868 285 2HD LYS 64 2HD LYS 64 -13.085 -9.868 15.745 286 1HE LYS 64 1HE LYS 64 -11.534 -8.913 17.349 287 2HE LYS 64 2HE LYS 64 -12.496 -7.440 17.436 288 1HZ LYS 64 1HZ LYS 64 -13.559 -10.112 18.161 289 2HZ LYS 64 2HZ LYS 64 -14.252 -8.594 18.485 290 3HZ LYS 64 3HZ LYS 64 -12.831 -9.068 19.281 291 H ASP 65 H ASP 65 -7.897 -6.224 14.238 292 HA ASP 65 HA ASP 65 -5.951 -8.378 14.451 293 1HB ASP 65 1HB ASP 65 -5.259 -6.535 13.067 294 2HB ASP 65 2HB ASP 65 -5.657 -5.370 14.326 295 H VAL 66 H VAL 66 -5.717 -9.284 16.363 296 HA VAL 66 HA VAL 66 -5.592 -7.526 18.716 297 HB VAL 66 HB VAL 66 -6.247 -9.358 19.990 298 1HG1 VAL 66 1HG1 VAL 66 -7.722 -7.498 19.419 299 2HG1 VAL 66 2HG1 VAL 66 -8.613 -9.018 19.484 300 3HG1 VAL 66 3HG1 VAL 66 -8.181 -8.314 17.924 301 1HG2 VAL 66 1HG2 VAL 66 -7.066 -10.532 17.343 302 2HG2 VAL 66 2HG2 VAL 66 -7.450 -11.171 18.942 303 3HG2 VAL 66 3HG2 VAL 66 -5.778 -11.141 18.381 304 H ALA 67 H ALA 67 -3.550 -8.603 16.856 305 HA ALA 67 HA ALA 67 -2.088 -10.435 18.632 306 1HB ALA 67 1HB ALA 67 -2.452 -11.238 16.352 307 2HB ALA 67 2HB ALA 67 -0.735 -10.985 16.671 308 3HB ALA 67 3HB ALA 67 -1.637 -9.810 15.714 309 HA PRO 68 HA PRO 68 0.762 -7.173 19.667 310 1HB PRO 68 1HB PRO 68 2.709 -9.335 20.118 311 2HB PRO 68 2HB PRO 68 2.064 -8.149 21.257 312 1HG PRO 68 1HG PRO 68 1.364 -10.736 21.366 313 2HG PRO 68 2HG PRO 68 0.223 -9.438 21.764 314 1HD PRO 68 1HD PRO 68 0.449 -11.058 19.255 315 2HD PRO 68 2HD PRO 68 -1.006 -10.526 20.127 316 H CYS 69 H CYS 69 0.805 -6.615 17.377 317 HA CYS 69 HA CYS 69 3.409 -7.248 16.165 318 1HB CYS 69 1HB CYS 69 0.787 -6.915 14.680 319 2HB CYS 69 2HB CYS 69 2.359 -7.168 13.937 320 H THR 70 H THR 70 4.499 -5.482 15.422 321 HA THR 70 HA THR 70 3.565 -2.901 16.175 322 HB THR 70 HB THR 70 5.687 -3.571 14.363 323 HG1 THR 70 HG1 THR 70 5.663 -3.404 17.222 324 1HG2 THR 70 1HG2 THR 70 5.103 -1.204 14.487 325 2HG2 THR 70 2HG2 THR 70 6.641 -1.519 15.288 326 3HG2 THR 70 3HG2 THR 70 5.183 -1.271 16.247 327 H ASP 71 H ASP 71 2.320 -1.551 15.055 328 HA ASP 71 HA ASP 71 1.365 -2.250 12.467 329 1HB ASP 71 1HB ASP 71 0.066 -0.201 12.540 330 2HB ASP 71 2HB ASP 71 -0.040 -1.023 14.089 331 H SER 72 H SER 72 2.216 -1.862 10.579 332 HA SER 72 HA SER 72 3.760 0.409 9.904 333 1HB SER 72 1HB SER 72 5.431 -0.710 11.322 334 2HB SER 72 2HB SER 72 5.306 -2.159 10.325 335 HG SER 72 HG SER 72 5.780 -0.130 8.697 336 HA PRO 73 HA PRO 73 3.719 -2.960 6.272 337 1HB PRO 73 1HB PRO 73 1.444 -4.574 7.309 338 2HB PRO 73 2HB PRO 73 2.867 -5.091 6.399 339 1HG PRO 73 1HG PRO 73 2.671 -5.594 9.003 340 2HG PRO 73 2HG PRO 73 4.224 -5.125 8.281 341 1HD PRO 73 1HD PRO 73 2.317 -3.496 9.908 342 2HD PRO 73 2HD PRO 73 4.091 -3.499 9.918 343 H GLU 74 H GLU 74 0.719 -2.340 8.063 344 HA GLU 74 HA GLU 74 -0.638 -1.524 5.619 345 1HB GLU 74 1HB GLU 74 -1.695 -1.585 8.450 346 2HB GLU 74 2HB GLU 74 -2.642 -1.458 6.973 347 1HG GLU 74 1HG GLU 74 -2.788 -3.657 6.858 348 2HG GLU 74 2HG GLU 74 -1.029 -3.786 6.801 349 H PHE 75 H PHE 75 -2.235 0.461 6.236 350 HA PHE 75 HA PHE 75 -2.533 2.650 6.721 351 1HB PHE 75 1HB PHE 75 -0.077 2.357 8.458 352 2HB PHE 75 2HB PHE 75 -1.093 3.793 8.392 353 HD1 PHE 75 HD1 PHE 75 -0.582 0.608 9.900 354 HD2 PHE 75 HD2 PHE 75 -3.558 3.521 9.018 355 HE1 PHE 75 HE1 PHE 75 -2.036 -0.361 11.628 356 HE2 PHE 75 HE2 PHE 75 -5.019 2.553 10.746 357 HZ PHE 75 HZ PHE 75 -4.260 0.610 12.053 358 H TYR 76 H TYR 76 0.627 1.616 5.695 359 HA TYR 76 HA TYR 76 2.123 2.441 4.214 360 1HB TYR 76 1HB TYR 76 -0.467 3.328 2.953 361 2HB TYR 76 2HB TYR 76 1.089 3.412 2.132 362 HD1 TYR 76 HD1 TYR 76 2.325 1.316 1.614 363 HD2 TYR 76 HD2 TYR 76 -1.632 1.257 3.187 364 HE1 TYR 76 HE1 TYR 76 2.086 -1.030 0.914 365 HE2 TYR 76 HE2 TYR 76 -1.875 -1.088 2.493 366 HH TYR 76 HH TYR 76 -0.890 -2.609 0.803 367 H GLY 77 H GLY 77 0.131 5.226 3.364 368 1HA GLY 77 1HA GLY 77 1.922 6.932 4.941 369 2HA GLY 77 2HA GLY 77 1.883 7.144 3.195 370 H LYS 78 H LYS 78 0.329 7.765 6.186 371 HA LYS 78 HA LYS 78 -1.317 9.216 6.770 372 1HB LYS 78 1HB LYS 78 -0.632 10.119 4.021 373 2HB LYS 78 2HB LYS 78 -2.121 10.728 4.721 374 1HG LYS 78 1HG LYS 78 0.472 10.922 6.200 375 2HG LYS 78 2HG LYS 78 0.013 12.117 4.984 376 1HD LYS 78 1HD LYS 78 -2.118 12.462 6.229 377 2HD LYS 78 2HD LYS 78 -1.501 11.396 7.493 378 1HE LYS 78 1HE LYS 78 0.320 12.901 7.938 379 2HE LYS 78 2HE LYS 78 -0.128 13.914 6.566 380 1HZ LYS 78 1HZ LYS 78 -2.195 14.459 7.677 381 2HZ LYS 78 2HZ LYS 78 -0.871 14.853 8.666 382 3HZ LYS 78 3HZ LYS 78 -1.786 13.461 8.989 383 H PHE 79 H PHE 79 -1.894 6.526 5.394 384 HA PHE 79 HA PHE 79 -4.060 6.599 3.701 385 1HB PHE 79 1HB PHE 79 -2.763 4.559 4.452 386 2HB PHE 79 2HB PHE 79 -3.761 4.555 5.901 387 HD1 PHE 79 HD1 PHE 79 -5.971 3.690 5.865 388 HD2 PHE 79 HD2 PHE 79 -3.798 4.193 2.241 389 HE1 PHE 79 HE1 PHE 79 -7.670 2.378 4.665 390 HE2 PHE 79 HE2 PHE 79 -5.493 2.883 1.037 391 HZ PHE 79 HZ PHE 79 -7.431 1.977 2.244 392 H LYS 80 H LYS 80 -4.006 7.054 7.157 393 HA LYS 80 HA LYS 80 -6.757 6.717 7.713 394 1HB LYS 80 1HB LYS 80 -4.725 8.483 9.102 395 2HB LYS 80 2HB LYS 80 -6.280 8.006 9.763 396 1HG LYS 80 1HG LYS 80 -5.602 5.751 9.988 397 2HG LYS 80 2HG LYS 80 -4.155 6.018 9.012 398 1HD LYS 80 1HD LYS 80 -3.620 5.901 11.402 399 2HD LYS 80 2HD LYS 80 -3.245 7.489 10.730 400 1HE LYS 80 1HE LYS 80 -5.415 8.314 11.609 401 2HE LYS 80 2HE LYS 80 -5.665 6.742 12.368 402 1HZ LYS 80 1HZ LYS 80 -3.421 8.609 12.941 403 2HZ LYS 80 2HZ LYS 80 -3.649 7.093 13.669 404 3HZ LYS 80 3HZ LYS 80 -4.769 8.340 13.937 405 H GLU 81 H GLU 81 -4.804 9.465 6.794 406 HA GLU 81 HA GLU 81 -7.067 11.284 6.844 407 1HB GLU 81 1HB GLU 81 -4.787 11.881 7.705 408 2HB GLU 81 2HB GLU 81 -4.185 11.767 6.060 409 1HG GLU 81 1HG GLU 81 -5.391 13.653 5.375 410 2HG GLU 81 2HG GLU 81 -6.396 13.641 6.825 411 H GLY 82 H GLY 82 -5.252 9.371 4.634 412 1HA GLY 82 1HA GLY 82 -5.706 10.673 2.238 413 2HA GLY 82 2HA GLY 82 -5.401 8.964 2.430 414 H VAL 83 H VAL 83 -7.512 8.210 3.947 415 HA VAL 83 HA VAL 83 -9.563 7.877 2.013 416 HB VAL 83 HB VAL 83 -9.563 7.540 4.866 417 1HG1 VAL 83 1HG1 VAL 83 -11.822 7.627 3.932 418 2HG1 VAL 83 2HG1 VAL 83 -11.403 5.976 4.389 419 3HG1 VAL 83 3HG1 VAL 83 -11.366 6.459 2.692 420 1HG2 VAL 83 1HG2 VAL 83 -9.079 5.211 4.306 421 2HG2 VAL 83 2HG2 VAL 83 -7.787 6.296 3.793 422 3HG2 VAL 83 3HG2 VAL 83 -8.926 5.658 2.607 423 H ALA 84 H ALA 84 -9.280 9.841 4.940 424 HA ALA 84 HA ALA 84 -11.988 10.766 4.800 425 1HB ALA 84 1HB ALA 84 -10.845 10.484 6.958 426 2HB ALA 84 2HB ALA 84 -11.422 12.135 6.734 427 3HB ALA 84 3HB ALA 84 -9.712 11.760 6.513 428 H SER 85 H SER 85 -8.885 11.878 3.744 429 HA SER 85 HA SER 85 -9.623 14.515 3.042 430 1HB SER 85 1HB SER 85 -7.266 13.619 3.021 431 2HB SER 85 2HB SER 85 -7.667 12.743 1.546 432 HG SER 85 HG SER 85 -7.012 15.354 1.883 433 H GLY 86 H GLY 86 -10.022 11.396 1.489 434 1HA GLY 86 1HA GLY 86 -12.042 10.929 0.301 435 2HA GLY 86 2HA GLY 86 -12.127 12.623 -0.162 436 H ASN 87 H ASN 87 -8.997 11.626 -0.460 437 HA ASN 87 HA ASN 87 -9.010 10.290 -2.914 438 1HB ASN 87 1HB ASN 87 -8.182 12.192 -4.376 439 2HB ASN 87 2HB ASN 87 -9.900 12.151 -4.031 440 1HD2 ASN 87 1HD2 ASN 87 -7.387 13.348 -1.845 441 2HD2 ASN 87 2HD2 ASN 87 -7.905 15.001 -1.878 442 H LEU 88 H LEU 88 -7.591 9.507 -1.077 443 HA LEU 88 HA LEU 88 -5.015 10.417 -0.674 444 1HB LEU 88 1HB LEU 88 -6.369 8.249 0.087 445 2HB LEU 88 2HB LEU 88 -5.392 7.521 -1.176 446 HG LEU 88 HG LEU 88 -4.361 9.069 1.147 447 1HD1 LEU 88 1HD1 LEU 88 -3.569 6.891 1.988 448 2HD1 LEU 88 2HD1 LEU 88 -4.419 6.101 0.661 449 3HD1 LEU 88 3HD1 LEU 88 -5.327 6.984 1.889 450 1HD2 LEU 88 1HD2 LEU 88 -2.159 8.209 0.508 451 2HD2 LEU 88 2HD2 LEU 88 -2.869 9.216 -0.756 452 3HD2 LEU 88 3HD2 LEU 88 -2.882 7.460 -0.917 453 H ASN 89 H ASN 89 -4.327 11.400 -2.658 454 HA ASN 89 HA ASN 89 -2.965 9.441 -4.327 455 1HB ASN 89 1HB ASN 89 -4.924 9.942 -5.659 456 2HB ASN 89 2HB ASN 89 -4.687 11.667 -5.428 457 1HD2 ASN 89 1HD2 ASN 89 -4.621 11.972 -7.696 458 2HD2 ASN 89 2HD2 ASN 89 -3.215 11.550 -8.616 459 H THR 90 H THR 90 -0.934 9.906 -3.706 460 HA THR 90 HA THR 90 0.192 12.421 -4.456 461 HB THR 90 HB THR 90 -0.832 12.977 -2.497 462 HG1 THR 90 HG1 THR 90 1.861 12.915 -1.787 463 1HG2 THR 90 1HG2 THR 90 -0.834 10.833 -1.355 464 2HG2 THR 90 2HG2 THR 90 -0.049 12.072 -0.377 465 3HG2 THR 90 3HG2 THR 90 0.927 10.882 -1.240 466 H MET 91 H MET 91 2.451 12.472 -4.262 467 HA MET 91 HA MET 91 3.737 9.877 -3.927 468 1HB MET 91 1HB MET 91 5.770 11.003 -4.752 469 2HB MET 91 2HB MET 91 4.426 11.198 -5.861 470 1HG MET 91 1HG MET 91 4.041 13.462 -4.881 471 2HG MET 91 2HG MET 91 5.515 13.244 -3.943 472 1HE MET 91 1HE MET 91 5.317 13.561 -8.535 473 2HE MET 91 2HE MET 91 3.939 13.796 -7.459 474 3HE MET 91 3HE MET 91 4.650 12.193 -7.645 475 H PHE 92 H PHE 92 5.087 9.390 -2.264 476 HA PHE 92 HA PHE 92 5.784 11.446 -0.332 477 1HB PHE 92 1HB PHE 92 3.522 10.628 0.332 478 2HB PHE 92 2HB PHE 92 4.183 9.006 0.481 479 HD1 PHE 92 HD1 PHE 92 5.394 12.355 1.606 480 HD2 PHE 92 HD2 PHE 92 4.245 8.403 2.687 481 HE1 PHE 92 HE1 PHE 92 5.979 12.831 3.948 482 HE2 PHE 92 HE2 PHE 92 4.836 8.870 5.029 483 HZ PHE 92 HZ PHE 92 5.702 11.086 5.661 484 H GLU 93 H GLU 93 7.905 11.145 -0.230 485 HA GLU 93 HA GLU 93 8.944 8.409 -0.293 486 1HB GLU 93 1HB GLU 93 10.381 11.056 -0.619 487 2HB GLU 93 2HB GLU 93 11.106 9.463 -0.799 488 1HG GLU 93 1HG GLU 93 9.706 9.001 -2.713 489 2HG GLU 93 2HG GLU 93 8.875 10.542 -2.507 490 H TYR 94 H TYR 94 9.033 7.592 1.736 491 HA TYR 94 HA TYR 94 10.133 9.341 3.830 492 1HB TYR 94 1HB TYR 94 8.719 8.212 5.487 493 2HB TYR 94 2HB TYR 94 7.764 9.020 4.254 494 HD1 TYR 94 HD1 TYR 94 8.458 5.898 5.907 495 HD2 TYR 94 HD2 TYR 94 6.710 7.616 2.428 496 HE1 TYR 94 HE1 TYR 94 7.248 3.797 5.485 497 HE2 TYR 94 HE2 TYR 94 5.491 5.524 2.002 498 HH TYR 94 HH TYR 94 5.734 3.110 2.550 499 H THR 95 H THR 95 11.378 8.366 5.458 500 HA THR 95 HA THR 95 12.612 5.833 4.572 501 HB THR 95 HB THR 95 13.867 7.916 6.083 502 HG1 THR 95 HG1 THR 95 12.894 8.155 3.666 503 1HG2 THR 95 1HG2 THR 95 15.869 6.902 5.088 504 2HG2 THR 95 2HG2 THR 95 14.857 5.677 4.326 505 3HG2 THR 95 3HG2 THR 95 14.973 5.755 6.083 506 H PHE 96 H PHE 96 13.265 4.383 6.170 507 HA PHE 96 HA PHE 96 12.070 4.727 8.801 508 1HB PHE 96 1HB PHE 96 13.690 2.452 7.621 509 2HB PHE 96 2HB PHE 96 12.958 2.435 9.222 510 HD1 PHE 96 HD1 PHE 96 10.487 2.416 9.442 511 HD2 PHE 96 HD2 PHE 96 12.421 2.015 5.671 512 HE1 PHE 96 HE1 PHE 96 8.406 1.528 8.471 513 HE2 PHE 96 HE2 PHE 96 10.346 1.124 4.696 514 HZ PHE 96 HZ PHE 96 8.327 0.887 6.105 515 H ASP 97 H ASP 97 13.157 5.438 10.542 516 HA ASP 97 HA ASP 97 15.668 6.649 10.304 517 1HB ASP 97 1HB ASP 97 14.166 5.763 12.773 518 2HB ASP 97 2HB ASP 97 15.629 6.739 12.816 519 H TYR 98 H TYR 98 14.758 3.569 11.811 520 HA TYR 98 HA TYR 98 17.506 2.677 11.298 521 1HB TYR 98 1HB TYR 98 15.990 2.561 13.847 522 2HB TYR 98 2HB TYR 98 16.943 1.142 13.425 523 HD1 TYR 98 HD1 TYR 98 19.350 1.221 13.394 524 HD2 TYR 98 HD2 TYR 98 17.088 4.706 14.316 525 HE1 TYR 98 HE1 TYR 98 21.384 2.310 14.236 526 HE2 TYR 98 HE2 TYR 98 19.119 5.806 15.160 527 HH TYR 98 HH TYR 98 21.321 5.134 16.085 528 H GLN 99 H GLN 99 14.746 0.981 12.714 529 HA GLN 99 HA GLN 99 13.609 -0.885 12.121 530 1HB GLN 99 1HB GLN 99 13.114 0.431 10.043 531 2HB GLN 99 2HB GLN 99 14.505 -0.330 9.287 532 1HG GLN 99 1HG GLN 99 12.462 -1.413 8.601 533 2HG GLN 99 2HG GLN 99 13.452 -2.517 9.553 534 1HE2 GLN 99 1HE2 GLN 99 11.628 -3.778 10.014 535 2HE2 GLN 99 2HE2 GLN 99 10.454 -3.270 11.178 536 H MET 100 H MET 100 16.327 -0.911 9.847 537 HA MET 100 HA MET 100 17.946 -2.655 11.359 538 1HB MET 100 1HB MET 100 16.275 -4.341 10.658 539 2HB MET 100 2HB MET 100 16.572 -3.925 8.974 540 1HG MET 100 1HG MET 100 17.734 -5.964 9.610 541 2HG MET 100 2HG MET 100 18.867 -4.687 9.170 542 1HE MET 100 1HE MET 100 20.883 -5.973 10.299 543 2HE MET 100 2HE MET 100 19.787 -7.292 10.710 544 3HE MET 100 3HE MET 100 20.840 -6.604 11.945 545 H THR 101 H THR 101 17.116 -2.170 7.951 546 HA THR 101 HA THR 101 19.736 -0.877 7.550 547 HB THR 101 HB THR 101 18.168 -2.299 5.604 548 HG1 THR 101 HG1 THR 101 20.477 -3.334 6.856 549 1HG2 THR 101 1HG2 THR 101 20.309 -2.338 4.431 550 2HG2 THR 101 2HG2 THR 101 21.038 -1.392 5.730 551 3HG2 THR 101 3HG2 THR 101 19.764 -0.688 4.733 552 HA PRO 102 HA PRO 102 16.540 2.360 7.253 553 1HB PRO 102 1HB PRO 102 18.462 4.225 6.344 554 2HB PRO 102 2HB PRO 102 17.873 4.018 7.995 555 1HG PRO 102 1HG PRO 102 20.343 2.964 6.717 556 2HG PRO 102 2HG PRO 102 20.067 3.456 8.397 557 1HD PRO 102 1HD PRO 102 20.238 0.879 7.727 558 2HD PRO 102 2HD PRO 102 19.079 1.427 8.957 559 H THR 103 H THR 103 15.303 1.769 5.534 560 HA THR 103 HA THR 103 16.356 2.302 2.846 561 HB THR 103 HB THR 103 13.892 1.013 3.552 562 HG1 THR 103 HG1 THR 103 16.285 0.183 4.213 563 1HG2 THR 103 1HG2 THR 103 14.209 0.025 1.348 564 2HG2 THR 103 2HG2 THR 103 15.682 0.972 1.134 565 3HG2 THR 103 3HG2 THR 103 14.122 1.784 1.257 566 H LYS 104 H LYS 104 15.526 3.917 1.636 567 HA LYS 104 HA LYS 104 13.180 5.348 2.644 568 1HB LYS 104 1HB LYS 104 15.142 6.704 1.960 569 2HB LYS 104 2HB LYS 104 15.016 6.043 0.333 570 1HG LYS 104 1HG LYS 104 12.599 6.974 0.398 571 2HG LYS 104 2HG LYS 104 13.191 7.958 1.735 572 1HD LYS 104 1HD LYS 104 14.434 7.868 -1.010 573 2HD LYS 104 2HD LYS 104 13.287 9.094 -0.472 574 1HE LYS 104 1HE LYS 104 14.867 9.713 1.332 575 2HE LYS 104 2HE LYS 104 16.017 8.542 0.681 576 1HZ LYS 104 1HZ LYS 104 16.509 10.764 -0.126 577 2HZ LYS 104 2HZ LYS 104 14.942 10.908 -0.764 578 3HZ LYS 104 3HZ LYS 104 16.017 9.770 -1.412 579 H VAL 105 H VAL 105 11.226 4.874 1.820 580 HA VAL 105 HA VAL 105 11.162 3.599 -0.799 581 HB VAL 105 HB VAL 105 8.930 3.219 -0.394 582 1HG1 VAL 105 1HG1 VAL 105 9.399 1.397 1.199 583 2HG1 VAL 105 2HG1 VAL 105 10.953 2.142 1.571 584 3HG1 VAL 105 3HG1 VAL 105 10.636 1.528 -0.052 585 1HG2 VAL 105 1HG2 VAL 105 8.099 3.375 1.884 586 2HG2 VAL 105 2HG2 VAL 105 8.489 4.966 1.231 587 3HG2 VAL 105 3HG2 VAL 105 9.583 4.191 2.376 588 H LYS 106 H LYS 106 9.593 4.242 -2.321 589 HA LYS 106 HA LYS 106 8.888 7.096 -2.120 590 1HB LYS 106 1HB LYS 106 9.985 5.677 -4.563 591 2HB LYS 106 2HB LYS 106 9.529 7.372 -4.473 592 1HG LYS 106 1HG LYS 106 11.378 7.918 -3.149 593 2HG LYS 106 2HG LYS 106 11.677 6.234 -2.714 594 1HD LYS 106 1HD LYS 106 13.320 7.012 -4.338 595 2HD LYS 106 2HD LYS 106 12.307 5.748 -5.033 596 1HE LYS 106 1HE LYS 106 12.430 7.338 -6.726 597 2HE LYS 106 2HE LYS 106 10.887 7.684 -5.952 598 1HZ LYS 106 1HZ LYS 106 12.170 9.386 -4.603 599 2HZ LYS 106 2HZ LYS 106 11.919 9.742 -6.240 600 3HZ LYS 106 3HZ LYS 106 13.428 9.180 -5.726 601 H VAL 107 H VAL 107 6.683 7.031 -2.029 602 HA VAL 107 HA VAL 107 5.399 5.015 -3.742 603 HB VAL 107 HB VAL 107 3.422 5.556 -2.563 604 1HG1 VAL 107 1HG1 VAL 107 4.061 4.023 -0.774 605 2HG1 VAL 107 2HG1 VAL 107 5.768 4.320 -1.104 606 3HG1 VAL 107 3HG1 VAL 107 4.764 3.509 -2.308 607 1HG2 VAL 107 1HG2 VAL 107 3.672 6.433 -0.330 608 2HG2 VAL 107 2HG2 VAL 107 4.135 7.635 -1.537 609 3HG2 VAL 107 3HG2 VAL 107 5.376 6.771 -0.631 610 H HIS 108 H HIS 108 4.024 5.534 -5.292 611 HA HIS 108 HA HIS 108 2.732 8.161 -5.034 612 1HB HIS 108 1HB HIS 108 3.896 7.920 -7.223 613 2HB HIS 108 2HB HIS 108 2.966 6.460 -7.540 614 HD1 HIS 108 HD1 HIS 108 1.935 7.569 -9.669 615 HD2 HIS 108 HD2 HIS 108 1.052 9.528 -6.101 616 HE1 HIS 108 HE1 HIS 108 0.049 9.150 -10.201 617 HE2 HIS 108 HE2 HIS 108 -0.597 10.168 -7.988 618 H MET 109 H MET 109 1.057 7.733 -3.824 619 HA MET 109 HA MET 109 -0.452 5.262 -4.308 620 1HB MET 109 1HB MET 109 -1.459 5.881 -2.001 621 2HB MET 109 2HB MET 109 0.158 5.197 -2.057 622 1HG MET 109 1HG MET 109 1.070 7.505 -1.907 623 2HG MET 109 2HG MET 109 -0.579 8.092 -1.690 624 1HE MET 109 1HE MET 109 2.261 5.812 -0.195 625 2HE MET 109 2HE MET 109 0.881 4.719 -0.315 626 3HE MET 109 3HE MET 109 1.482 5.210 1.270 627 H LYS 110 H LYS 110 -2.558 5.408 -4.965 628 HA LYS 110 HA LYS 110 -3.582 8.122 -5.338 629 1HB LYS 110 1HB LYS 110 -3.962 7.631 -7.764 630 2HB LYS 110 2HB LYS 110 -2.269 7.790 -7.321 631 1HG LYS 110 1HG LYS 110 -2.107 5.326 -7.229 632 2HG LYS 110 2HG LYS 110 -3.772 5.228 -7.798 633 1HD LYS 110 1HD LYS 110 -1.523 6.577 -9.286 634 2HD LYS 110 2HD LYS 110 -2.084 4.934 -9.594 635 1HE LYS 110 1HE LYS 110 -4.345 5.870 -10.064 636 2HE LYS 110 2HE LYS 110 -3.653 7.486 -9.911 637 1HZ LYS 110 1HZ LYS 110 -2.095 6.882 -11.716 638 2HZ LYS 110 2HZ LYS 110 -3.720 6.892 -12.208 639 3HZ LYS 110 3HZ LYS 110 -2.932 5.420 -11.914 640 H LYS 111 H LYS 111 -5.706 8.190 -4.985 641 HA LYS 111 HA LYS 111 -7.333 6.062 -4.521 642 1HB LYS 111 1HB LYS 111 -7.856 8.319 -3.966 643 2HB LYS 111 2HB LYS 111 -7.903 8.776 -5.654 644 1HG LYS 111 1HG LYS 111 -9.888 7.367 -5.974 645 2HG LYS 111 2HG LYS 111 -9.839 6.933 -4.262 646 1HD LYS 111 1HD LYS 111 -10.196 9.218 -3.623 647 2HD LYS 111 2HD LYS 111 -10.072 9.751 -5.300 648 1HE LYS 111 1HE LYS 111 -12.098 8.441 -5.826 649 2HE LYS 111 2HE LYS 111 -12.221 7.971 -4.131 650 1HZ LYS 111 1HZ LYS 111 -12.415 10.733 -5.214 651 2HZ LYS 111 2HZ LYS 111 -12.438 10.336 -3.564 652 3HZ LYS 111 3HZ LYS 111 -13.687 9.802 -4.581 653 H ALA 112 H ALA 112 -7.611 4.409 -5.756 654 HA ALA 112 HA ALA 112 -7.197 4.141 -8.464 655 1HB ALA 112 1HB ALA 112 -8.391 2.035 -8.285 656 2HB ALA 112 2HB ALA 112 -9.079 2.531 -6.740 657 3HB ALA 112 3HB ALA 112 -7.340 2.270 -6.890 658 H LEU 113 H LEU 113 -8.472 4.356 -10.252 659 HA LEU 113 HA LEU 113 -10.718 6.109 -10.043 660 1HB LEU 113 1HB LEU 113 -9.651 4.649 -12.459 661 2HB LEU 113 2HB LEU 113 -10.758 6.010 -12.477 662 HG LEU 113 HG LEU 113 -7.898 6.090 -11.510 663 1HD1 LEU 113 1HD1 LEU 113 -7.512 7.474 -13.494 664 2HD1 LEU 113 2HD1 LEU 113 -9.176 7.193 -14.007 665 3HD1 LEU 113 3HD1 LEU 113 -8.040 5.847 -13.922 666 1HD2 LEU 113 1HD2 LEU 113 -8.237 8.504 -11.372 667 2HD2 LEU 113 2HD2 LEU 113 -9.339 7.645 -10.296 668 3HD2 LEU 113 3HD2 LEU 113 -9.928 8.299 -11.824 669 H SER 114 H SER 114 -10.531 2.973 -9.394 670 HA SER 114 HA SER 114 -12.844 1.976 -10.780 671 1HB SER 114 1HB SER 114 -11.421 0.772 -8.398 672 2HB SER 114 2HB SER 114 -12.429 -0.062 -9.581 673 HG SER 114 HG SER 114 -10.839 0.552 -11.179 674 H GLY 115 H GLY 115 -12.135 3.373 -7.625 675 1HA GLY 115 1HA GLY 115 -14.293 4.588 -6.886 676 2HA GLY 115 2HA GLY 115 -14.937 2.954 -6.808 677 H ASP 116 H ASP 116 -13.568 5.404 -5.125 678 HA ASP 116 HA ASP 116 -12.178 5.601 -3.283 679 1HB ASP 116 1HB ASP 116 -14.585 5.633 -2.601 680 2HB ASP 116 2HB ASP 116 -14.400 3.948 -2.113 681 H SER 117 H SER 117 -10.529 4.269 -4.131 682 HA SER 117 HA SER 117 -9.667 2.315 -2.206 683 1HB SER 117 1HB SER 117 -8.922 0.901 -4.292 684 2HB SER 117 2HB SER 117 -10.513 0.676 -3.580 685 HG SER 117 HG SER 117 -11.433 1.801 -5.214 686 H TYR 118 H TYR 118 -7.287 1.983 -2.564 687 HA TYR 118 HA TYR 118 -6.172 4.225 -4.100 688 1HB TYR 118 1HB TYR 118 -5.274 3.689 -1.270 689 2HB TYR 118 2HB TYR 118 -4.924 5.088 -2.294 690 HD1 TYR 118 HD1 TYR 118 -7.126 3.681 0.116 691 HD2 TYR 118 HD2 TYR 118 -6.797 6.628 -2.901 692 HE1 TYR 118 HE1 TYR 118 -9.035 4.887 1.110 693 HE2 TYR 118 HE2 TYR 118 -8.710 7.848 -1.941 694 HH TYR 118 HH TYR 118 -9.786 7.561 1.002 695 H TRP 119 H TRP 119 -4.334 3.825 -5.140 696 HA TRP 119 HA TRP 119 -3.167 1.191 -4.958 697 1HB TRP 119 1HB TRP 119 -2.652 3.604 -6.687 698 2HB TRP 119 2HB TRP 119 -1.644 2.151 -6.753 699 HD1 TRP 119 HD1 TRP 119 -5.400 3.083 -7.221 700 HE1 TRP 119 HE1 TRP 119 -6.325 1.511 -9.078 701 HE3 TRP 119 HE3 TRP 119 -1.217 0.313 -8.090 702 HZ2 TRP 119 HZ2 TRP 119 -5.354 -0.636 -10.666 703 HZ3 TRP 119 HZ3 TRP 119 -1.269 -1.438 -9.759 704 HH2 TRP 119 HH2 TRP 119 -3.294 -1.918 -11.050 705 H VAL 120 H VAL 120 -0.878 0.946 -4.903 706 HA VAL 120 HA VAL 120 0.680 3.091 -3.658 707 HB VAL 120 HB VAL 120 0.614 0.314 -2.887 708 1HG1 VAL 120 1HG1 VAL 120 2.893 1.188 -2.898 709 2HG1 VAL 120 2HG1 VAL 120 2.308 1.017 -1.242 710 3HG1 VAL 120 3HG1 VAL 120 2.366 2.610 -1.998 711 1HG2 VAL 120 1HG2 VAL 120 -0.122 2.829 -1.411 712 2HG2 VAL 120 2HG2 VAL 120 -0.047 1.209 -0.717 713 3HG2 VAL 120 3HG2 VAL 120 -1.234 1.582 -1.967 714 H PHE 121 H PHE 121 1.764 3.436 -5.589 715 HA PHE 121 HA PHE 121 3.327 1.220 -6.706 716 1HB PHE 121 1HB PHE 121 3.229 4.144 -7.499 717 2HB PHE 121 2HB PHE 121 4.146 2.898 -8.326 718 HD1 PHE 121 HD1 PHE 121 0.768 4.153 -7.608 719 HD2 PHE 121 HD2 PHE 121 3.119 1.412 -9.849 720 HE1 PHE 121 HE1 PHE 121 -1.156 3.709 -9.076 721 HE2 PHE 121 HE2 PHE 121 1.204 0.961 -11.322 722 HZ PHE 121 HZ PHE 121 -0.938 2.110 -10.938 723 H VAL 122 H VAL 122 5.012 0.723 -5.388 724 HA VAL 122 HA VAL 122 6.479 2.965 -4.163 725 HB VAL 122 HB VAL 122 5.235 1.677 -2.738 726 1HG1 VAL 122 1HG1 VAL 122 5.325 -0.477 -3.842 727 2HG1 VAL 122 2HG1 VAL 122 5.957 -0.602 -2.199 728 3HG1 VAL 122 3HG1 VAL 122 7.065 -0.566 -3.572 729 1HG2 VAL 122 1HG2 VAL 122 7.018 1.304 -1.114 730 2HG2 VAL 122 2HG2 VAL 122 7.184 2.851 -1.946 731 3HG2 VAL 122 3HG2 VAL 122 8.215 1.495 -2.397 732 H LYS 123 H LYS 123 8.700 2.873 -3.994 733 HA LYS 123 HA LYS 123 10.142 0.576 -4.975 734 1HB LYS 123 1HB LYS 123 11.653 2.072 -6.378 735 2HB LYS 123 2HB LYS 123 10.078 1.697 -7.057 736 1HG LYS 123 1HG LYS 123 10.510 4.233 -5.525 737 2HG LYS 123 2HG LYS 123 10.993 4.103 -7.219 738 1HD LYS 123 1HD LYS 123 8.692 3.451 -7.808 739 2HD LYS 123 2HD LYS 123 8.221 3.631 -6.117 740 1HE LYS 123 1HE LYS 123 8.978 6.017 -6.262 741 2HE LYS 123 2HE LYS 123 9.176 5.776 -7.998 742 1HZ LYS 123 1HZ LYS 123 6.645 5.460 -6.485 743 2HZ LYS 123 2HZ LYS 123 6.828 5.218 -8.153 744 3HZ LYS 123 3HZ LYS 123 7.041 6.765 -7.492 745 H ARG 124 H ARG 124 12.287 0.519 -4.192 746 HA ARG 124 HA ARG 124 12.551 2.276 -1.840 747 1HB ARG 124 1HB ARG 124 13.649 0.313 -0.719 748 2HB ARG 124 2HB ARG 124 11.935 0.123 -1.054 749 1HG ARG 124 1HG ARG 124 12.457 -1.240 -3.007 750 2HG ARG 124 2HG ARG 124 14.181 -1.039 -2.686 751 1HD ARG 124 1HD ARG 124 13.334 -3.192 -1.869 752 2HD ARG 124 2HD ARG 124 13.951 -2.180 -0.564 753 HE ARG 124 HE ARG 124 11.174 -1.775 -0.845 754 1HH1 ARG 124 1HH1 ARG 124 13.445 -4.218 0.234 755 2HH1 ARG 124 2HH1 ARG 124 12.356 -4.882 1.423 756 1HH2 ARG 124 1HH2 ARG 124 9.741 -2.645 0.694 757 2HH2 ARG 124 2HH2 ARG 124 10.241 -3.996 1.676 758 H VAL 125 H VAL 125 14.490 3.064 -1.273 759 HA VAL 125 HA VAL 125 16.693 2.707 -3.179 760 HB VAL 125 HB VAL 125 16.408 4.555 -0.994 761 1HG1 VAL 125 1HG1 VAL 125 18.239 4.420 -3.387 762 2HG1 VAL 125 2HG1 VAL 125 18.702 4.145 -1.708 763 3HG1 VAL 125 3HG1 VAL 125 18.165 5.745 -2.223 764 1HG2 VAL 125 1HG2 VAL 125 15.754 4.879 -3.910 765 2HG2 VAL 125 2HG2 VAL 125 15.784 6.164 -2.705 766 3HG2 VAL 125 3HG2 VAL 125 14.598 4.864 -2.578 767 H2 HC4 169 H2 HC4 169 2.957 -10.765 16.698 768 H3 HC4 169 H3 HC4 169 4.821 -11.835 16.953 769 H2' HC4 169 H2' HC4 169 7.069 -12.578 16.537 770 H3' HC4 169 H3' HC4 169 9.071 -12.830 15.141 771 H5' HC4 169 H5' HC4 169 7.249 -10.442 12.122 772 H6' HC4 169 H6' HC4 169 5.238 -10.229 13.508 773 'HO4 HC4 169 'HO4 HC4 169 9.663 -10.903 12.434 Start of MODEL 17 1 H LEU 26 H LEU 26 15.885 -3.204 -10.122 2 HA LEU 26 HA LEU 26 14.807 -5.182 -9.319 3 1HB LEU 26 1HB LEU 26 13.945 -2.620 -7.979 4 2HB LEU 26 2HB LEU 26 13.691 -4.197 -7.264 5 HG LEU 26 HG LEU 26 16.226 -4.505 -7.431 6 1HD1 LEU 26 1HD1 LEU 26 16.688 -2.679 -8.973 7 2HD1 LEU 26 2HD1 LEU 26 17.554 -2.461 -7.452 8 3HD1 LEU 26 3HD1 LEU 26 16.103 -1.515 -7.785 9 1HD2 LEU 26 1HD2 LEU 26 15.047 -4.149 -5.336 10 2HD2 LEU 26 2HD2 LEU 26 15.087 -2.405 -5.590 11 3HD2 LEU 26 3HD2 LEU 26 16.588 -3.294 -5.335 12 H ALA 27 H ALA 27 12.578 -5.628 -8.040 13 HA ALA 27 HA ALA 27 10.448 -5.232 -10.041 14 1HB ALA 27 1HB ALA 27 9.494 -7.338 -9.280 15 2HB ALA 27 2HB ALA 27 10.767 -7.495 -8.068 16 3HB ALA 27 3HB ALA 27 11.169 -7.571 -9.783 17 H PHE 28 H PHE 28 8.246 -5.887 -8.697 18 HA PHE 28 HA PHE 28 6.693 -5.350 -7.135 19 1HB PHE 28 1HB PHE 28 9.049 -4.449 -5.461 20 2HB PHE 28 2HB PHE 28 7.389 -4.551 -4.889 21 HD1 PHE 28 HD1 PHE 28 10.418 -6.380 -5.645 22 HD2 PHE 28 HD2 PHE 28 6.296 -6.756 -4.659 23 HE1 PHE 28 HE1 PHE 28 10.780 -8.733 -5.033 24 HE2 PHE 28 HE2 PHE 28 6.652 -9.111 -4.042 25 HZ PHE 28 HZ PHE 28 8.902 -10.092 -4.189 26 H GLY 29 H GLY 29 5.456 -3.525 -6.455 27 1HA GLY 29 1HA GLY 29 6.253 -0.914 -6.332 28 2HA GLY 29 2HA GLY 29 5.998 -1.203 -8.041 29 H ALA 30 H ALA 30 3.794 -2.110 -8.615 30 HA ALA 30 HA ALA 30 1.993 -0.193 -7.343 31 1HB ALA 30 1HB ALA 30 0.721 -0.268 -9.401 32 2HB ALA 30 2HB ALA 30 1.721 -1.591 -10.000 33 3HB ALA 30 3HB ALA 30 2.428 0.006 -9.755 34 H ILE 31 H ILE 31 0.982 -1.186 -5.677 35 HA ILE 31 HA ILE 31 -0.847 -3.330 -6.482 36 HB ILE 31 HB ILE 31 0.637 -4.255 -5.232 37 1HG1 ILE 31 1HG1 ILE 31 -1.831 -4.611 -4.758 38 2HG1 ILE 31 2HG1 ILE 31 -0.626 -5.341 -3.724 39 1HG2 ILE 31 1HG2 ILE 31 0.290 -2.060 -3.216 40 2HG2 ILE 31 2HG2 ILE 31 1.721 -2.381 -4.196 41 3HG2 ILE 31 3HG2 ILE 31 1.226 -3.531 -2.955 42 1HD1 ILE 31 1HD1 ILE 31 -0.971 -3.547 -2.080 43 2HD1 ILE 31 2HD1 ILE 31 -2.444 -4.462 -2.399 44 3HD1 ILE 31 3HD1 ILE 31 -2.227 -2.863 -3.111 45 H GLN 32 H GLN 32 -2.939 -3.149 -5.795 46 HA GLN 32 HA GLN 32 -3.582 -0.485 -4.717 47 1HB GLN 32 1HB GLN 32 -5.492 -0.343 -6.122 48 2HB GLN 32 2HB GLN 32 -4.126 -0.789 -7.127 49 1HG GLN 32 1HG GLN 32 -5.491 -2.318 -7.976 50 2HG GLN 32 2HG GLN 32 -5.182 -3.223 -6.495 51 1HE2 GLN 32 1HE2 GLN 32 -7.542 -3.163 -8.228 52 2HE2 GLN 32 2HE2 GLN 32 -8.862 -2.739 -7.203 53 H LEU 33 H LEU 33 -4.952 -0.280 -3.123 54 HA LEU 33 HA LEU 33 -6.564 -2.584 -2.286 55 1HB LEU 33 1HB LEU 33 -5.876 -2.193 0.076 56 2HB LEU 33 2HB LEU 33 -4.613 -2.830 -0.954 57 HG LEU 33 HG LEU 33 -3.885 -0.334 -1.172 58 1HD1 LEU 33 1HD1 LEU 33 -4.325 0.992 0.813 59 2HD1 LEU 33 2HD1 LEU 33 -5.390 -0.269 1.436 60 3HD1 LEU 33 3HD1 LEU 33 -5.826 0.610 -0.031 61 1HD2 LEU 33 1HD2 LEU 33 -2.584 -2.135 -0.136 62 2HD2 LEU 33 2HD2 LEU 33 -3.448 -1.875 1.380 63 3HD2 LEU 33 3HD2 LEU 33 -2.410 -0.607 0.726 64 H ASP 34 H ASP 34 -8.313 -2.014 -0.858 65 HA ASP 34 HA ASP 34 -9.283 0.640 -1.565 66 1HB ASP 34 1HB ASP 34 -11.457 -0.048 -0.712 67 2HB ASP 34 2HB ASP 34 -10.837 -1.226 -1.855 68 H GLY 35 H GLY 35 -10.205 2.081 -0.053 69 1HA GLY 35 1HA GLY 35 -8.506 2.402 2.257 70 2HA GLY 35 2HA GLY 35 -9.755 3.513 1.714 71 H ASP 36 H ASP 36 -10.743 0.301 1.957 72 HA ASP 36 HA ASP 36 -12.289 0.929 4.363 73 1HB ASP 36 1HB ASP 36 -13.498 0.292 2.277 74 2HB ASP 36 2HB ASP 36 -12.684 -1.266 2.320 75 H GLY 37 H GLY 37 -9.904 -1.212 3.014 76 1HA GLY 37 1HA GLY 37 -8.295 -1.861 4.843 77 2HA GLY 37 2HA GLY 37 -9.700 -2.528 5.654 78 H ASN 38 H ASN 38 -9.287 -2.814 2.179 79 HA ASN 38 HA ASN 38 -8.453 -5.620 2.543 80 1HB ASN 38 1HB ASN 38 -10.563 -4.713 0.577 81 2HB ASN 38 2HB ASN 38 -10.021 -6.361 0.856 82 1HD2 ASN 38 1HD2 ASN 38 -11.912 -3.729 2.039 83 2HD2 ASN 38 2HD2 ASN 38 -12.776 -4.620 3.249 84 H ILE 39 H ILE 39 -7.023 -6.390 1.061 85 HA ILE 39 HA ILE 39 -6.016 -4.558 -0.956 86 HB ILE 39 HB ILE 39 -5.331 -7.241 -0.170 87 1HG1 ILE 39 1HG1 ILE 39 -3.997 -4.573 0.217 88 2HG1 ILE 39 2HG1 ILE 39 -4.865 -5.468 1.457 89 1HG2 ILE 39 1HG2 ILE 39 -4.065 -5.377 -2.186 90 2HG2 ILE 39 2HG2 ILE 39 -4.850 -6.915 -2.545 91 3HG2 ILE 39 3HG2 ILE 39 -3.356 -6.884 -1.607 92 1HD1 ILE 39 1HD1 ILE 39 -3.233 -7.265 1.299 93 2HD1 ILE 39 2HD1 ILE 39 -2.466 -5.723 1.686 94 3HD1 ILE 39 3HD1 ILE 39 -2.369 -6.371 0.048 95 H LEU 40 H LEU 40 -6.435 -4.724 -3.117 96 HA LEU 40 HA LEU 40 -8.539 -6.675 -3.784 97 1HB LEU 40 1HB LEU 40 -8.001 -3.996 -5.062 98 2HB LEU 40 2HB LEU 40 -9.348 -5.063 -5.411 99 HG LEU 40 HG LEU 40 -8.853 -3.627 -2.805 100 1HD1 LEU 40 1HD1 LEU 40 -10.885 -2.386 -3.400 101 2HD1 LEU 40 2HD1 LEU 40 -10.937 -3.231 -4.947 102 3HD1 LEU 40 3HD1 LEU 40 -9.597 -2.145 -4.582 103 1HD2 LEU 40 1HD2 LEU 40 -9.891 -5.806 -2.442 104 2HD2 LEU 40 2HD2 LEU 40 -11.129 -5.425 -3.639 105 3HD2 LEU 40 3HD2 LEU 40 -11.040 -4.503 -2.139 106 H GLN 41 H GLN 41 -5.763 -4.968 -5.238 107 HA GLN 41 HA GLN 41 -5.342 -7.313 -6.943 108 1HB GLN 41 1HB GLN 41 -6.719 -5.728 -8.254 109 2HB GLN 41 2HB GLN 41 -5.472 -4.503 -8.054 110 1HG GLN 41 1HG GLN 41 -3.887 -5.976 -9.244 111 2HG GLN 41 2HG GLN 41 -5.193 -7.129 -9.502 112 1HE2 GLN 41 1HE2 GLN 41 -5.648 -3.671 -9.618 113 2HE2 GLN 41 2HE2 GLN 41 -5.941 -3.568 -11.319 114 H TYR 42 H TYR 42 -3.293 -7.869 -7.079 115 HA TYR 42 HA TYR 42 -1.246 -5.929 -6.237 116 1HB TYR 42 1HB TYR 42 -1.337 -7.638 -4.607 117 2HB TYR 42 2HB TYR 42 -1.536 -8.896 -5.816 118 HD1 TYR 42 HD1 TYR 42 0.218 -10.317 -5.995 119 HD2 TYR 42 HD2 TYR 42 1.020 -6.242 -5.063 120 HE1 TYR 42 HE1 TYR 42 2.617 -10.824 -5.900 121 HE2 TYR 42 HE2 TYR 42 3.432 -6.742 -4.969 122 HH TYR 42 HH TYR 42 4.745 -9.673 -6.119 123 H ASN 43 H ASN 43 0.262 -5.388 -7.714 124 HA ASN 43 HA ASN 43 0.611 -7.150 -10.055 125 1HB ASN 43 1HB ASN 43 0.743 -4.144 -10.243 126 2HB ASN 43 2HB ASN 43 0.649 -5.313 -11.554 127 1HD2 ASN 43 1HD2 ASN 43 -1.074 -3.493 -9.204 128 2HD2 ASN 43 2HD2 ASN 43 -2.667 -3.862 -9.772 129 H ALA 44 H ALA 44 2.587 -7.982 -9.575 130 HA ALA 44 HA ALA 44 4.816 -6.144 -9.848 131 1HB ALA 44 1HB ALA 44 4.650 -7.964 -7.449 132 2HB ALA 44 2HB ALA 44 4.459 -6.211 -7.419 133 3HB ALA 44 3HB ALA 44 6.005 -6.920 -7.883 134 H ALA 45 H ALA 45 6.881 -7.310 -10.124 135 HA ALA 45 HA ALA 45 6.540 -9.555 -11.854 136 1HB ALA 45 1HB ALA 45 9.076 -8.329 -10.783 137 2HB ALA 45 2HB ALA 45 8.253 -7.864 -12.272 138 3HB ALA 45 3HB ALA 45 8.957 -9.474 -12.120 139 H GLU 46 H GLU 46 5.894 -11.378 -10.887 140 HA GLU 46 HA GLU 46 7.585 -12.412 -8.719 141 1HB GLU 46 1HB GLU 46 5.622 -13.978 -8.276 142 2HB GLU 46 2HB GLU 46 5.393 -12.289 -7.851 143 1HG GLU 46 1HG GLU 46 4.173 -11.972 -9.985 144 2HG GLU 46 2HG GLU 46 4.322 -13.703 -10.283 145 H GLY 47 H GLY 47 9.164 -13.153 -10.126 146 1HA GLY 47 1HA GLY 47 8.356 -15.157 -12.120 147 2HA GLY 47 2HA GLY 47 9.909 -14.338 -12.056 148 H ASP 48 H ASP 48 10.073 -14.819 -9.115 149 HA ASP 48 HA ASP 48 10.968 -17.594 -9.290 150 1HB ASP 48 1HB ASP 48 12.269 -17.166 -7.278 151 2HB ASP 48 2HB ASP 48 12.614 -15.947 -8.494 152 H ILE 49 H ILE 49 9.654 -19.098 -8.651 153 HA ILE 49 HA ILE 49 7.601 -18.425 -6.642 154 HB ILE 49 HB ILE 49 6.340 -20.121 -7.697 155 1HG1 ILE 49 1HG1 ILE 49 8.340 -19.651 -9.909 156 2HG1 ILE 49 2HG1 ILE 49 8.111 -21.159 -9.031 157 1HG2 ILE 49 1HG2 ILE 49 5.543 -18.508 -9.367 158 2HG2 ILE 49 2HG2 ILE 49 7.011 -17.559 -9.139 159 3HG2 ILE 49 3HG2 ILE 49 5.865 -17.744 -7.811 160 1HD1 ILE 49 1HD1 ILE 49 5.867 -21.360 -9.931 161 2HD1 ILE 49 2HD1 ILE 49 7.050 -21.204 -11.229 162 3HD1 ILE 49 3HD1 ILE 49 6.052 -19.823 -10.773 163 H THR 50 H THR 50 9.929 -20.752 -7.761 164 HA THR 50 HA THR 50 9.115 -23.030 -6.364 165 HB THR 50 HB THR 50 11.822 -22.202 -6.764 166 HG1 THR 50 HG1 THR 50 11.486 -22.860 -8.915 167 1HG2 THR 50 1HG2 THR 50 10.357 -24.831 -6.885 168 2HG2 THR 50 2HG2 THR 50 11.443 -24.309 -5.597 169 3HG2 THR 50 3HG2 THR 50 12.072 -24.587 -7.222 170 H GLY 51 H GLY 51 8.511 -22.662 -4.264 171 1HA GLY 51 1HA GLY 51 9.095 -22.871 -1.991 172 2HA GLY 51 2HA GLY 51 10.703 -22.263 -2.362 173 H ARG 52 H ARG 52 8.437 -20.359 -3.872 174 HA ARG 52 HA ARG 52 8.665 -18.338 -1.733 175 1HB ARG 52 1HB ARG 52 8.277 -17.942 -4.707 176 2HB ARG 52 2HB ARG 52 8.424 -16.663 -3.512 177 1HG ARG 52 1HG ARG 52 10.561 -18.679 -4.152 178 2HG ARG 52 2HG ARG 52 10.484 -17.039 -4.799 179 1HD ARG 52 1HD ARG 52 10.506 -16.225 -2.410 180 2HD ARG 52 2HD ARG 52 10.877 -17.884 -1.933 181 HE ARG 52 HE ARG 52 12.599 -16.498 -3.866 182 1HH1 ARG 52 1HH1 ARG 52 12.148 -17.941 -0.706 183 2HH1 ARG 52 2HH1 ARG 52 13.851 -17.995 -0.348 184 1HH2 ARG 52 1HH2 ARG 52 14.825 -16.540 -3.395 185 2HH2 ARG 52 2HH2 ARG 52 15.376 -17.165 -1.869 186 H ASP 53 H ASP 53 6.874 -16.920 -1.401 187 HA ASP 53 HA ASP 53 4.327 -17.823 -2.559 188 1HB ASP 53 1HB ASP 53 4.994 -17.316 0.311 189 2HB ASP 53 2HB ASP 53 3.379 -16.916 -0.266 190 HA PRO 54 HA PRO 54 4.805 -13.505 -3.856 191 1HB PRO 54 1HB PRO 54 2.444 -14.278 -5.468 192 2HB PRO 54 2HB PRO 54 3.973 -13.556 -5.984 193 1HG PRO 54 1HG PRO 54 3.425 -16.115 -6.499 194 2HG PRO 54 2HG PRO 54 5.064 -15.600 -6.058 195 1HD PRO 54 1HD PRO 54 2.980 -16.938 -4.374 196 2HD PRO 54 2HD PRO 54 4.730 -17.236 -4.448 197 H LYS 55 H LYS 55 2.025 -15.185 -2.589 198 HA LYS 55 HA LYS 55 0.452 -12.804 -2.256 199 1HB LYS 55 1HB LYS 55 -1.056 -14.275 -0.909 200 2HB LYS 55 2HB LYS 55 -0.761 -14.845 -2.543 201 1HG LYS 55 1HG LYS 55 0.976 -16.388 -1.581 202 2HG LYS 55 2HG LYS 55 0.389 -15.921 0.016 203 1HD LYS 55 1HD LYS 55 -1.291 -17.139 -2.173 204 2HD LYS 55 2HD LYS 55 -0.622 -18.018 -0.798 205 1HE LYS 55 1HE LYS 55 -1.925 -16.682 0.736 206 2HE LYS 55 2HE LYS 55 -2.519 -15.685 -0.591 207 1HZ LYS 55 1HZ LYS 55 -3.023 -18.603 -0.325 208 2HZ LYS 55 2HZ LYS 55 -3.680 -17.562 -1.491 209 3HZ LYS 55 3HZ LYS 55 -4.117 -17.392 0.140 210 H GLN 56 H GLN 56 2.267 -11.675 -1.253 211 HA GLN 56 HA GLN 56 2.384 -12.149 1.650 212 1HB GLN 56 1HB GLN 56 4.484 -10.726 1.550 213 2HB GLN 56 2HB GLN 56 4.592 -12.307 0.793 214 1HG GLN 56 1HG GLN 56 4.225 -11.231 -1.402 215 2HG GLN 56 2HG GLN 56 4.250 -9.661 -0.600 216 1HE2 GLN 56 1HE2 GLN 56 6.011 -10.787 -2.653 217 2HE2 GLN 56 2HE2 GLN 56 7.611 -10.720 -2.000 218 H VAL 57 H VAL 57 2.272 -9.561 -0.783 219 HA VAL 57 HA VAL 57 1.138 -7.793 1.259 220 HB VAL 57 HB VAL 57 1.349 -6.130 -0.392 221 1HG1 VAL 57 1HG1 VAL 57 2.841 -6.406 1.513 222 2HG1 VAL 57 2HG1 VAL 57 3.745 -5.909 0.082 223 3HG1 VAL 57 3HG1 VAL 57 3.789 -7.590 0.613 224 1HG2 VAL 57 1HG2 VAL 57 2.776 -6.438 -2.236 225 2HG2 VAL 57 2HG2 VAL 57 1.574 -7.725 -2.328 226 3HG2 VAL 57 3HG2 VAL 57 3.199 -8.072 -1.736 227 H ILE 58 H ILE 58 -0.531 -9.696 0.588 228 HA ILE 58 HA ILE 58 -2.785 -8.317 -0.455 229 HB ILE 58 HB ILE 58 -1.723 -8.899 -2.379 230 1HG1 ILE 58 1HG1 ILE 58 -4.231 -10.486 -1.849 231 2HG1 ILE 58 2HG1 ILE 58 -4.159 -8.782 -2.287 232 1HG2 ILE 58 1HG2 ILE 58 -0.487 -10.855 -1.679 233 2HG2 ILE 58 2HG2 ILE 58 -1.549 -11.275 -3.023 234 3HG2 ILE 58 3HG2 ILE 58 -1.989 -11.729 -1.378 235 1HD1 ILE 58 1HD1 ILE 58 -4.745 -10.159 -4.196 236 2HD1 ILE 58 2HD1 ILE 58 -3.259 -11.088 -4.002 237 3HD1 ILE 58 3HD1 ILE 58 -3.181 -9.382 -4.444 238 H GLY 59 H GLY 59 -4.739 -9.569 -0.174 239 1HA GLY 59 1HA GLY 59 -5.879 -11.499 0.672 240 2HA GLY 59 2HA GLY 59 -4.403 -11.949 1.518 241 H LYS 60 H LYS 60 -5.088 -8.652 1.715 242 HA LYS 60 HA LYS 60 -5.678 -8.838 4.518 243 1HB LYS 60 1HB LYS 60 -4.263 -7.036 3.797 244 2HB LYS 60 2HB LYS 60 -5.443 -6.512 2.602 245 1HG LYS 60 1HG LYS 60 -5.426 -5.002 4.486 246 2HG LYS 60 2HG LYS 60 -6.966 -5.857 4.418 247 1HD LYS 60 1HD LYS 60 -6.281 -5.795 6.699 248 2HD LYS 60 2HD LYS 60 -6.051 -7.447 6.125 249 1HE LYS 60 1HE LYS 60 -3.666 -6.996 5.796 250 2HE LYS 60 2HE LYS 60 -3.899 -5.348 6.381 251 1HZ LYS 60 1HZ LYS 60 -4.605 -6.243 8.517 252 2HZ LYS 60 2HZ LYS 60 -3.047 -6.796 8.122 253 3HZ LYS 60 3HZ LYS 60 -4.381 -7.828 7.947 254 H ASN 61 H ASN 61 -7.630 -9.132 5.303 255 HA ASN 61 HA ASN 61 -9.944 -8.058 3.852 256 1HB ASN 61 1HB ASN 61 -9.920 -10.418 3.371 257 2HB ASN 61 2HB ASN 61 -9.658 -10.812 5.065 258 1HD2 ASN 61 1HD2 ASN 61 -11.458 -12.076 5.237 259 2HD2 ASN 61 2HD2 ASN 61 -13.068 -11.450 5.189 260 H PHE 62 H PHE 62 -10.346 -6.380 5.183 261 HA PHE 62 HA PHE 62 -11.058 -7.037 7.954 262 1HB PHE 62 1HB PHE 62 -8.867 -5.916 7.981 263 2HB PHE 62 2HB PHE 62 -9.534 -4.574 7.057 264 HD1 PHE 62 HD1 PHE 62 -10.667 -2.812 8.118 265 HD2 PHE 62 HD2 PHE 62 -9.704 -6.337 10.301 266 HE1 PHE 62 HE1 PHE 62 -11.306 -1.686 10.209 267 HE2 PHE 62 HE2 PHE 62 -10.334 -5.216 12.399 268 HZ PHE 62 HZ PHE 62 -11.111 -2.879 12.358 269 H PHE 63 H PHE 63 -13.164 -6.707 8.139 270 HA PHE 63 HA PHE 63 -14.451 -4.670 6.487 271 1HB PHE 63 1HB PHE 63 -15.332 -7.041 6.602 272 2HB PHE 63 2HB PHE 63 -15.775 -6.717 8.273 273 HD1 PHE 63 HD1 PHE 63 -17.650 -5.335 8.819 274 HD2 PHE 63 HD2 PHE 63 -16.503 -5.935 4.768 275 HE1 PHE 63 HE1 PHE 63 -19.796 -4.392 8.078 276 HE2 PHE 63 HE2 PHE 63 -18.647 -4.993 4.020 277 HZ PHE 63 HZ PHE 63 -20.300 -4.246 5.654 278 H LYS 64 H LYS 64 -14.626 -5.825 9.833 279 HA LYS 64 HA LYS 64 -14.382 -3.144 10.864 280 1HB LYS 64 1HB LYS 64 -16.463 -3.335 12.237 281 2HB LYS 64 2HB LYS 64 -16.773 -3.170 10.515 282 1HG LYS 64 1HG LYS 64 -17.232 -5.525 10.324 283 2HG LYS 64 2HG LYS 64 -16.787 -5.781 12.012 284 1HD LYS 64 1HD LYS 64 -18.652 -4.392 12.729 285 2HD LYS 64 2HD LYS 64 -19.076 -4.071 11.045 286 1HE LYS 64 1HE LYS 64 -20.477 -5.823 12.107 287 2HE LYS 64 2HE LYS 64 -19.607 -6.380 10.679 288 1HZ LYS 64 1HZ LYS 64 -18.082 -7.559 11.988 289 2HZ LYS 64 2HZ LYS 64 -19.591 -7.904 12.674 290 3HZ LYS 64 3HZ LYS 64 -18.556 -6.784 13.421 291 H ASP 65 H ASP 65 -14.358 -3.249 13.333 292 HA ASP 65 HA ASP 65 -13.234 -5.855 14.155 293 1HB ASP 65 1HB ASP 65 -11.553 -4.797 15.408 294 2HB ASP 65 2HB ASP 65 -11.608 -3.874 13.909 295 H VAL 66 H VAL 66 -13.126 -5.966 16.642 296 HA VAL 66 HA VAL 66 -15.270 -4.568 17.989 297 HB VAL 66 HB VAL 66 -16.183 -6.416 16.964 298 1HG1 VAL 66 1HG1 VAL 66 -15.724 -8.647 17.841 299 2HG1 VAL 66 2HG1 VAL 66 -14.383 -7.997 18.783 300 3HG1 VAL 66 3HG1 VAL 66 -14.322 -7.962 17.021 301 1HG2 VAL 66 1HG2 VAL 66 -17.358 -7.203 18.955 302 2HG2 VAL 66 2HG2 VAL 66 -17.197 -5.447 18.904 303 3HG2 VAL 66 3HG2 VAL 66 -16.155 -6.398 19.964 304 H ALA 67 H ALA 67 -12.528 -4.333 18.221 305 HA ALA 67 HA ALA 67 -12.067 -5.272 20.954 306 1HB ALA 67 1HB ALA 67 -11.063 -6.981 19.503 307 2HB ALA 67 2HB ALA 67 -9.846 -6.117 20.441 308 3HB ALA 67 3HB ALA 67 -10.076 -5.737 18.735 309 HA PRO 68 HA PRO 68 -10.337 -1.189 21.240 310 1HB PRO 68 1HB PRO 68 -9.304 -1.321 23.705 311 2HB PRO 68 2HB PRO 68 -11.051 -1.372 23.435 312 1HG PRO 68 1HG PRO 68 -9.153 -3.611 24.003 313 2HG PRO 68 2HG PRO 68 -10.785 -3.341 24.638 314 1HD PRO 68 1HD PRO 68 -10.176 -5.048 22.563 315 2HD PRO 68 2HD PRO 68 -11.771 -4.319 22.829 316 H CYS 69 H CYS 69 -8.662 -3.479 20.092 317 HA CYS 69 HA CYS 69 -6.133 -2.067 20.199 318 1HB CYS 69 1HB CYS 69 -5.956 -3.688 22.064 319 2HB CYS 69 2HB CYS 69 -6.314 -5.000 20.945 320 H THR 70 H THR 70 -6.888 -1.672 18.007 321 HA THR 70 HA THR 70 -6.424 -4.001 16.261 322 HB THR 70 HB THR 70 -7.785 -2.800 14.718 323 HG1 THR 70 HG1 THR 70 -9.030 -1.199 15.476 324 1HG2 THR 70 1HG2 THR 70 -8.952 -3.966 17.234 325 2HG2 THR 70 2HG2 THR 70 -8.420 -4.867 15.813 326 3HG2 THR 70 3HG2 THR 70 -9.795 -3.769 15.696 327 H ASP 71 H ASP 71 -6.375 -0.457 16.415 328 HA ASP 71 HA ASP 71 -4.766 -0.274 14.028 329 1HB ASP 71 1HB ASP 71 -6.020 1.700 15.878 330 2HB ASP 71 2HB ASP 71 -4.686 2.229 14.862 331 H SER 72 H SER 72 -2.688 -0.740 14.107 332 HA SER 72 HA SER 72 -1.099 0.538 16.218 333 1HB SER 72 1HB SER 72 0.820 -0.729 15.146 334 2HB SER 72 2HB SER 72 -0.419 -1.746 15.876 335 HG SER 72 HG SER 72 -0.753 -1.100 13.190 336 HA PRO 73 HA PRO 73 -1.551 3.992 13.453 337 1HB PRO 73 1HB PRO 73 0.733 5.277 14.589 338 2HB PRO 73 2HB PRO 73 -0.972 5.597 14.906 339 1HG PRO 73 1HG PRO 73 0.953 3.960 16.444 340 2HG PRO 73 2HG PRO 73 -0.502 4.805 16.997 341 1HD PRO 73 1HD PRO 73 -0.422 2.134 16.777 342 2HD PRO 73 2HD PRO 73 -1.894 3.056 16.406 343 H GLU 74 H GLU 74 -1.011 3.321 11.438 344 HA GLU 74 HA GLU 74 1.625 4.101 10.566 345 1HB GLU 74 1HB GLU 74 2.051 2.007 9.315 346 2HB GLU 74 2HB GLU 74 2.073 1.782 11.055 347 1HG GLU 74 1HG GLU 74 -0.165 0.820 10.971 348 2HG GLU 74 2HG GLU 74 -0.213 1.080 9.228 349 H PHE 75 H PHE 75 0.817 5.670 9.301 350 HA PHE 75 HA PHE 75 -0.948 4.807 7.120 351 1HB PHE 75 1HB PHE 75 -1.391 7.241 6.751 352 2HB PHE 75 2HB PHE 75 -1.942 6.651 8.311 353 HD1 PHE 75 HD1 PHE 75 -0.536 7.160 10.352 354 HD2 PHE 75 HD2 PHE 75 0.099 9.043 6.586 355 HE1 PHE 75 HE1 PHE 75 0.700 8.968 11.468 356 HE2 PHE 75 HE2 PHE 75 1.341 10.851 7.699 357 HZ PHE 75 HZ PHE 75 1.642 10.814 10.141 358 H TYR 76 H TYR 76 -0.029 4.486 5.227 359 HA TYR 76 HA TYR 76 2.772 4.782 4.959 360 1HB TYR 76 1HB TYR 76 0.752 4.054 2.830 361 2HB TYR 76 2HB TYR 76 2.488 3.753 2.771 362 HD1 TYR 76 HD1 TYR 76 3.429 2.370 4.819 363 HD2 TYR 76 HD2 TYR 76 -0.632 2.343 3.551 364 HE1 TYR 76 HE1 TYR 76 3.097 0.216 5.957 365 HE2 TYR 76 HE2 TYR 76 -0.977 0.190 4.688 366 HH TYR 76 HH TYR 76 1.086 -1.031 6.975 367 H GLY 77 H GLY 77 0.351 6.021 2.618 368 1HA GLY 77 1HA GLY 77 2.076 8.410 2.376 369 2HA GLY 77 2HA GLY 77 1.173 7.712 1.036 370 H LYS 78 H LYS 78 0.737 9.137 4.252 371 HA LYS 78 HA LYS 78 -0.837 10.569 5.094 372 1HB LYS 78 1HB LYS 78 -0.426 11.728 2.862 373 2HB LYS 78 2HB LYS 78 -1.835 10.878 2.254 374 1HG LYS 78 1HG LYS 78 -2.630 12.986 2.806 375 2HG LYS 78 2HG LYS 78 -3.101 11.984 4.180 376 1HD LYS 78 1HD LYS 78 -1.351 12.839 5.524 377 2HD LYS 78 2HD LYS 78 -0.562 13.594 4.137 378 1HE LYS 78 1HE LYS 78 -2.583 15.041 3.885 379 2HE LYS 78 2HE LYS 78 -3.178 14.377 5.406 380 1HZ LYS 78 1HZ LYS 78 -1.297 15.278 6.549 381 2HZ LYS 78 2HZ LYS 78 -2.018 16.521 5.648 382 3HZ LYS 78 3HZ LYS 78 -0.589 15.795 5.096 383 H PHE 79 H PHE 79 -1.305 7.636 4.263 384 HA PHE 79 HA PHE 79 -3.676 7.137 3.046 385 1HB PHE 79 1HB PHE 79 -1.928 5.457 3.687 386 2HB PHE 79 2HB PHE 79 -2.631 5.435 5.303 387 HD1 PHE 79 HD1 PHE 79 -4.605 4.183 5.760 388 HD2 PHE 79 HD2 PHE 79 -3.298 4.745 1.752 389 HE1 PHE 79 HE1 PHE 79 -6.256 2.525 4.989 390 HE2 PHE 79 HE2 PHE 79 -4.942 3.097 0.976 391 HZ PHE 79 HZ PHE 79 -6.424 1.988 2.585 392 H LYS 80 H LYS 80 -3.299 7.848 6.504 393 HA LYS 80 HA LYS 80 -5.830 6.830 7.274 394 1HB LYS 80 1HB LYS 80 -3.889 7.282 8.821 395 2HB LYS 80 2HB LYS 80 -4.276 8.993 8.695 396 1HG LYS 80 1HG LYS 80 -5.274 8.299 10.691 397 2HG LYS 80 2HG LYS 80 -6.601 8.361 9.533 398 1HD LYS 80 1HD LYS 80 -5.100 5.822 10.131 399 2HD LYS 80 2HD LYS 80 -6.499 6.335 11.071 400 1HE LYS 80 1HE LYS 80 -6.527 5.934 8.080 401 2HE LYS 80 2HE LYS 80 -7.004 4.699 9.243 402 1HZ LYS 80 1HZ LYS 80 -8.890 5.961 8.320 403 2HZ LYS 80 2HZ LYS 80 -8.278 7.375 9.028 404 3HZ LYS 80 3HZ LYS 80 -8.781 6.088 10.007 405 H GLU 81 H GLU 81 -4.707 10.010 6.304 406 HA GLU 81 HA GLU 81 -7.378 11.140 6.500 407 1HB GLU 81 1HB GLU 81 -5.343 12.461 7.093 408 2HB GLU 81 2HB GLU 81 -4.825 12.354 5.417 409 1HG GLU 81 1HG GLU 81 -6.891 13.542 4.753 410 2HG GLU 81 2HG GLU 81 -7.285 13.735 6.460 411 H GLY 82 H GLY 82 -5.232 9.748 4.185 412 1HA GLY 82 1HA GLY 82 -6.066 10.808 1.806 413 2HA GLY 82 2HA GLY 82 -5.421 9.204 2.017 414 H VAL 83 H VAL 83 -7.336 8.169 3.684 415 HA VAL 83 HA VAL 83 -9.235 7.234 1.807 416 HB VAL 83 HB VAL 83 -9.210 7.171 4.679 417 1HG1 VAL 83 1HG1 VAL 83 -10.780 5.606 2.624 418 2HG1 VAL 83 2HG1 VAL 83 -11.440 6.725 3.817 419 3HG1 VAL 83 3HG1 VAL 83 -10.692 5.217 4.342 420 1HG2 VAL 83 1HG2 VAL 83 -8.287 4.931 4.303 421 2HG2 VAL 83 2HG2 VAL 83 -7.221 6.211 3.723 422 3HG2 VAL 83 3HG2 VAL 83 -8.186 5.282 2.576 423 H ALA 84 H ALA 84 -9.571 9.404 4.614 424 HA ALA 84 HA ALA 84 -12.402 9.665 4.102 425 1HB ALA 84 1HB ALA 84 -11.609 9.441 6.402 426 2HB ALA 84 2HB ALA 84 -12.468 10.964 6.166 427 3HB ALA 84 3HB ALA 84 -10.705 10.946 6.238 428 H SER 85 H SER 85 -9.512 11.472 3.536 429 HA SER 85 HA SER 85 -10.819 13.925 2.874 430 1HB SER 85 1HB SER 85 -8.346 13.687 3.336 431 2HB SER 85 2HB SER 85 -8.187 12.898 1.768 432 HG SER 85 HG SER 85 -8.295 14.770 0.821 433 H GLY 86 H GLY 86 -10.394 10.885 1.321 434 1HA GLY 86 1HA GLY 86 -11.501 10.003 -0.483 435 2HA GLY 86 2HA GLY 86 -12.403 11.507 -0.597 436 H ASN 87 H ASN 87 -8.938 11.472 -0.651 437 HA ASN 87 HA ASN 87 -8.750 11.482 -3.505 438 1HB ASN 87 1HB ASN 87 -7.813 13.805 -3.667 439 2HB ASN 87 2HB ASN 87 -9.535 13.735 -3.326 440 1HD2 ASN 87 1HD2 ASN 87 -9.443 15.853 -2.531 441 2HD2 ASN 87 2HD2 ASN 87 -8.795 16.212 -0.965 442 H LEU 88 H LEU 88 -7.585 9.867 -1.756 443 HA LEU 88 HA LEU 88 -5.020 10.595 -0.871 444 1HB LEU 88 1HB LEU 88 -6.618 8.505 -0.443 445 2HB LEU 88 2HB LEU 88 -5.560 7.793 -1.650 446 HG LEU 88 HG LEU 88 -4.660 9.102 0.860 447 1HD1 LEU 88 1HD1 LEU 88 -4.208 6.807 1.670 448 2HD1 LEU 88 2HD1 LEU 88 -4.984 6.173 0.219 449 3HD1 LEU 88 3HD1 LEU 88 -5.924 7.103 1.385 450 1HD2 LEU 88 1HD2 LEU 88 -2.504 8.011 0.395 451 2HD2 LEU 88 2HD2 LEU 88 -2.960 9.157 -0.865 452 3HD2 LEU 88 3HD2 LEU 88 -3.153 7.423 -1.135 453 H ASN 89 H ASN 89 -4.053 11.666 -2.708 454 HA ASN 89 HA ASN 89 -2.702 9.707 -4.388 455 1HB ASN 89 1HB ASN 89 -4.521 10.371 -5.808 456 2HB ASN 89 2HB ASN 89 -4.251 12.066 -5.455 457 1HD2 ASN 89 1HD2 ASN 89 -1.707 9.730 -6.131 458 2HD2 ASN 89 2HD2 ASN 89 -1.219 10.435 -7.640 459 H THR 90 H THR 90 -0.713 10.024 -3.519 460 HA THR 90 HA THR 90 0.530 12.612 -4.036 461 HB THR 90 HB THR 90 0.674 11.203 -1.525 462 HG1 THR 90 HG1 THR 90 -1.090 13.017 -2.525 463 1HG2 THR 90 1HG2 THR 90 2.741 12.354 -2.059 464 2HG2 THR 90 2HG2 THR 90 1.860 13.221 -0.802 465 3HG2 THR 90 3HG2 THR 90 1.842 13.818 -2.460 466 H MET 91 H MET 91 2.703 12.437 -4.513 467 HA MET 91 HA MET 91 3.900 9.768 -4.209 468 1HB MET 91 1HB MET 91 5.519 10.488 -6.001 469 2HB MET 91 2HB MET 91 3.872 10.219 -6.532 470 1HG MET 91 1HG MET 91 4.993 12.939 -5.903 471 2HG MET 91 2HG MET 91 5.036 12.217 -7.509 472 1HE MET 91 1HE MET 91 3.781 14.401 -8.464 473 2HE MET 91 2HE MET 91 3.768 15.065 -6.830 474 3HE MET 91 3HE MET 91 2.280 15.021 -7.776 475 H PHE 92 H PHE 92 5.271 9.637 -2.654 476 HA PHE 92 HA PHE 92 6.981 11.939 -2.016 477 1HB PHE 92 1HB PHE 92 5.001 11.732 -0.440 478 2HB PHE 92 2HB PHE 92 5.649 10.174 0.054 479 HD1 PHE 92 HD1 PHE 92 6.335 13.807 -0.004 480 HD2 PHE 92 HD2 PHE 92 7.369 10.023 1.645 481 HE1 PHE 92 HE1 PHE 92 7.740 14.926 1.675 482 HE2 PHE 92 HE2 PHE 92 8.774 11.138 3.328 483 HZ PHE 92 HZ PHE 92 8.927 13.608 3.360 484 H GLU 93 H GLU 93 9.008 11.331 -1.075 485 HA GLU 93 HA GLU 93 9.545 8.447 -1.034 486 1HB GLU 93 1HB GLU 93 11.870 9.003 -1.889 487 2HB GLU 93 2HB GLU 93 10.558 9.092 -3.053 488 1HG GLU 93 1HG GLU 93 10.503 11.560 -2.676 489 2HG GLU 93 2HG GLU 93 11.966 11.378 -1.705 490 H TYR 94 H TYR 94 10.344 7.791 0.817 491 HA TYR 94 HA TYR 94 11.542 9.794 2.603 492 1HB TYR 94 1HB TYR 94 9.227 9.283 3.300 493 2HB TYR 94 2HB TYR 94 9.644 7.576 3.409 494 HD1 TYR 94 HD1 TYR 94 10.447 6.698 5.417 495 HD2 TYR 94 HD2 TYR 94 10.565 10.909 4.799 496 HE1 TYR 94 HE1 TYR 94 11.148 7.016 7.751 497 HE2 TYR 94 HE2 TYR 94 11.266 11.236 7.134 498 HH TYR 94 HH TYR 94 11.163 10.078 9.269 499 H THR 95 H THR 95 13.501 9.278 3.228 500 HA THR 95 HA THR 95 14.348 6.487 3.050 501 HB THR 95 HB THR 95 15.622 8.037 2.009 502 HG1 THR 95 HG1 THR 95 17.584 7.430 3.077 503 1HG2 THR 95 1HG2 THR 95 15.174 10.013 3.330 504 2HG2 THR 95 2HG2 THR 95 16.906 9.686 3.282 505 3HG2 THR 95 3HG2 THR 95 15.975 9.287 4.724 506 H PHE 96 H PHE 96 15.124 5.370 4.819 507 HA PHE 96 HA PHE 96 15.149 6.732 7.385 508 1HB PHE 96 1HB PHE 96 13.744 4.985 8.459 509 2HB PHE 96 2HB PHE 96 12.867 5.977 7.306 510 HD1 PHE 96 HD1 PHE 96 14.014 2.639 8.137 511 HD2 PHE 96 HD2 PHE 96 12.159 5.036 5.148 512 HE1 PHE 96 HE1 PHE 96 13.204 0.605 7.017 513 HE2 PHE 96 HE2 PHE 96 11.350 3.006 4.021 514 HZ PHE 96 HZ PHE 96 11.870 0.787 4.954 515 H ASP 97 H ASP 97 16.966 6.292 8.302 516 HA ASP 97 HA ASP 97 18.457 3.895 7.680 517 1HB ASP 97 1HB ASP 97 19.593 6.073 8.037 518 2HB ASP 97 2HB ASP 97 19.017 6.090 9.699 519 H TYR 98 H TYR 98 17.357 2.126 8.509 520 HA TYR 98 HA TYR 98 16.255 2.162 11.141 521 1HB TYR 98 1HB TYR 98 15.979 -0.288 10.853 522 2HB TYR 98 2HB TYR 98 15.303 0.644 9.525 523 HD1 TYR 98 HD1 TYR 98 18.046 -1.604 10.531 524 HD2 TYR 98 HD2 TYR 98 16.153 0.408 7.293 525 HE1 TYR 98 HE1 TYR 98 19.304 -2.991 8.941 526 HE2 TYR 98 HE2 TYR 98 17.413 -0.975 5.695 527 HH TYR 98 HH TYR 98 19.153 -3.765 6.653 528 H GLN 99 H GLN 99 19.299 1.231 9.746 529 HA GLN 99 HA GLN 99 20.759 1.685 12.067 530 1HB GLN 99 1HB GLN 99 19.635 -0.432 12.808 531 2HB GLN 99 2HB GLN 99 20.445 -1.267 11.491 532 1HG GLN 99 1HG GLN 99 22.614 -0.679 12.457 533 2HG GLN 99 2HG GLN 99 21.794 0.146 13.781 534 1HE2 GLN 99 1HE2 GLN 99 20.716 -2.857 12.326 535 2HE2 GLN 99 2HE2 GLN 99 21.012 -3.849 13.719 536 H MET 100 H MET 100 21.845 2.802 10.428 537 HA MET 100 HA MET 100 23.776 3.126 9.268 538 1HB MET 100 1HB MET 100 24.762 1.218 10.482 539 2HB MET 100 2HB MET 100 24.105 0.118 9.280 540 1HG MET 100 1HG MET 100 26.469 0.535 8.911 541 2HG MET 100 2HG MET 100 25.497 1.137 7.569 542 1HE MET 100 1HE MET 100 25.942 2.796 11.111 543 2HE MET 100 2HE MET 100 27.315 3.864 10.824 544 3HE MET 100 3HE MET 100 27.536 2.115 10.789 545 H THR 101 H THR 101 21.195 1.217 8.232 546 HA THR 101 HA THR 101 21.930 1.622 5.409 547 HB THR 101 HB THR 101 19.855 -0.054 6.452 548 HG1 THR 101 HG1 THR 101 21.373 -1.668 6.560 549 1HG2 THR 101 1HG2 THR 101 20.219 -1.187 4.319 550 2HG2 THR 101 2HG2 THR 101 21.445 0.010 3.895 551 3HG2 THR 101 3HG2 THR 101 19.762 0.502 4.087 552 HA PRO 102 HA PRO 102 18.423 4.532 5.901 553 1HB PRO 102 1HB PRO 102 19.625 5.943 3.663 554 2HB PRO 102 2HB PRO 102 19.373 6.505 5.317 555 1HG PRO 102 1HG PRO 102 21.836 5.994 4.273 556 2HG PRO 102 2HG PRO 102 21.455 5.840 5.997 557 1HD PRO 102 1HD PRO 102 21.680 3.706 3.908 558 2HD PRO 102 2HD PRO 102 22.235 3.697 5.596 559 H THR 103 H THR 103 16.841 3.196 5.112 560 HA THR 103 HA THR 103 16.898 2.245 2.390 561 HB THR 103 HB THR 103 14.716 2.239 4.246 562 HG1 THR 103 HG1 THR 103 17.153 1.328 4.648 563 1HG2 THR 103 1HG2 THR 103 15.596 0.434 2.003 564 2HG2 THR 103 2HG2 THR 103 14.222 1.539 1.966 565 3HG2 THR 103 3HG2 THR 103 14.215 0.159 3.065 566 H LYS 104 H LYS 104 16.667 3.901 0.966 567 HA LYS 104 HA LYS 104 14.657 5.934 1.277 568 1HB LYS 104 1HB LYS 104 16.793 6.402 0.149 569 2HB LYS 104 2HB LYS 104 16.392 5.231 -1.100 570 1HG LYS 104 1HG LYS 104 14.367 6.646 -1.607 571 2HG LYS 104 2HG LYS 104 15.066 7.869 -0.541 572 1HD LYS 104 1HD LYS 104 17.084 7.923 -1.935 573 2HD LYS 104 2HD LYS 104 16.376 6.713 -3.005 574 1HE LYS 104 1HE LYS 104 16.036 8.818 -4.041 575 2HE LYS 104 2HE LYS 104 14.478 8.318 -3.385 576 1HZ LYS 104 1HZ LYS 104 16.339 10.349 -2.292 577 2HZ LYS 104 2HZ LYS 104 15.042 9.727 -1.396 578 3HZ LYS 104 3HZ LYS 104 14.744 10.577 -2.837 579 H VAL 105 H VAL 105 12.589 5.199 1.176 580 HA VAL 105 HA VAL 105 11.898 3.448 -1.058 581 HB VAL 105 HB VAL 105 9.920 3.056 0.005 582 1HG1 VAL 105 1HG1 VAL 105 12.439 2.531 1.576 583 2HG1 VAL 105 2HG1 VAL 105 11.820 1.565 0.236 584 3HG1 VAL 105 3HG1 VAL 105 10.924 1.647 1.754 585 1HG2 VAL 105 1HG2 VAL 105 9.661 5.068 1.314 586 2HG2 VAL 105 2HG2 VAL 105 11.105 4.673 2.246 587 3HG2 VAL 105 3HG2 VAL 105 9.673 3.651 2.365 588 H LYS 106 H LYS 106 9.845 3.765 -2.087 589 HA LYS 106 HA LYS 106 9.143 6.625 -2.314 590 1HB LYS 106 1HB LYS 106 8.980 4.460 -4.431 591 2HB LYS 106 2HB LYS 106 8.534 6.143 -4.651 592 1HG LYS 106 1HG LYS 106 11.313 5.448 -3.823 593 2HG LYS 106 2HG LYS 106 10.822 5.270 -5.506 594 1HD LYS 106 1HD LYS 106 10.675 7.801 -3.868 595 2HD LYS 106 2HD LYS 106 11.860 7.444 -5.126 596 1HE LYS 106 1HE LYS 106 9.843 7.149 -6.680 597 2HE LYS 106 2HE LYS 106 8.908 7.936 -5.412 598 1HZ LYS 106 1HZ LYS 106 11.150 9.059 -6.987 599 2HZ LYS 106 2HZ LYS 106 10.597 9.790 -5.562 600 3HZ LYS 106 3HZ LYS 106 9.552 9.620 -6.891 601 H VAL 107 H VAL 107 6.988 7.156 -2.226 602 HA VAL 107 HA VAL 107 5.055 4.944 -2.276 603 HB VAL 107 HB VAL 107 3.752 6.573 -0.902 604 1HG1 VAL 107 1HG1 VAL 107 4.174 4.211 -0.458 605 2HG1 VAL 107 2HG1 VAL 107 4.416 5.164 1.007 606 3HG1 VAL 107 3HG1 VAL 107 5.808 4.588 0.089 607 1HG2 VAL 107 1HG2 VAL 107 6.584 7.016 0.034 608 2HG2 VAL 107 2HG2 VAL 107 5.112 7.534 0.856 609 3HG2 VAL 107 3HG2 VAL 107 5.542 8.231 -0.706 610 H HIS 108 H HIS 108 4.257 5.286 -4.257 611 HA HIS 108 HA HIS 108 3.049 7.937 -4.680 612 1HB HIS 108 1HB HIS 108 4.605 7.120 -6.479 613 2HB HIS 108 2HB HIS 108 3.518 5.758 -6.734 614 HD1 HIS 108 HD1 HIS 108 3.278 6.669 -9.217 615 HD2 HIS 108 HD2 HIS 108 1.730 9.135 -6.241 616 HE1 HIS 108 HE1 HIS 108 1.792 8.323 -10.401 617 HE2 HIS 108 HE2 HIS 108 1.002 9.902 -8.602 618 H MET 109 H MET 109 1.138 7.841 -3.740 619 HA MET 109 HA MET 109 -0.492 5.426 -4.148 620 1HB MET 109 1HB MET 109 -0.730 7.554 -2.008 621 2HB MET 109 2HB MET 109 -1.769 6.143 -2.165 622 1HG MET 109 1HG MET 109 0.343 4.755 -1.927 623 2HG MET 109 2HG MET 109 1.132 6.245 -1.415 624 1HE MET 109 1HE MET 109 -1.608 3.596 -0.654 625 2HE MET 109 2HE MET 109 -2.575 5.069 -0.719 626 3HE MET 109 3HE MET 109 -2.360 4.225 0.813 627 H LYS 110 H LYS 110 -2.608 5.650 -4.898 628 HA LYS 110 HA LYS 110 -3.461 8.336 -5.565 629 1HB LYS 110 1HB LYS 110 -3.792 7.867 -7.938 630 2HB LYS 110 2HB LYS 110 -2.095 7.760 -7.498 631 1HG LYS 110 1HG LYS 110 -2.151 5.373 -7.572 632 2HG LYS 110 2HG LYS 110 -3.904 5.373 -7.779 633 1HD LYS 110 1HD LYS 110 -3.596 6.585 -9.927 634 2HD LYS 110 2HD LYS 110 -1.851 6.414 -9.728 635 1HE LYS 110 1HE LYS 110 -2.036 4.012 -9.795 636 2HE LYS 110 2HE LYS 110 -3.797 4.114 -9.844 637 1HZ LYS 110 1HZ LYS 110 -3.643 5.218 -11.983 638 2HZ LYS 110 2HZ LYS 110 -2.866 3.711 -12.038 639 3HZ LYS 110 3HZ LYS 110 -1.949 5.135 -11.940 640 H LYS 111 H LYS 111 -5.533 8.539 -5.333 641 HA LYS 111 HA LYS 111 -7.286 6.620 -4.574 642 1HB LYS 111 1HB LYS 111 -7.660 8.935 -4.323 643 2HB LYS 111 2HB LYS 111 -7.591 9.206 -6.052 644 1HG LYS 111 1HG LYS 111 -9.697 7.970 -6.320 645 2HG LYS 111 2HG LYS 111 -9.772 7.760 -4.563 646 1HD LYS 111 1HD LYS 111 -9.839 10.143 -4.238 647 2HD LYS 111 2HD LYS 111 -9.620 10.424 -5.965 648 1HE LYS 111 1HE LYS 111 -11.778 9.296 -6.377 649 2HE LYS 111 2HE LYS 111 -11.987 9.109 -4.635 650 1HZ LYS 111 1HZ LYS 111 -13.188 11.029 -5.394 651 2HZ LYS 111 2HZ LYS 111 -11.798 11.674 -6.121 652 3HZ LYS 111 3HZ LYS 111 -11.888 11.542 -4.435 653 H ALA 112 H ALA 112 -7.865 4.848 -5.585 654 HA ALA 112 HA ALA 112 -7.267 4.316 -8.281 655 1HB ALA 112 1HB ALA 112 -8.361 2.179 -7.914 656 2HB ALA 112 2HB ALA 112 -9.070 2.779 -6.415 657 3HB ALA 112 3HB ALA 112 -7.322 2.586 -6.548 658 H LEU 113 H LEU 113 -8.607 4.036 -10.049 659 HA LEU 113 HA LEU 113 -10.820 5.804 -10.234 660 1HB LEU 113 1HB LEU 113 -10.005 3.595 -12.123 661 2HB LEU 113 2HB LEU 113 -11.068 4.939 -12.498 662 HG LEU 113 HG LEU 113 -8.141 5.194 -11.789 663 1HD1 LEU 113 1HD1 LEU 113 -9.499 5.463 -14.469 664 2HD1 LEU 113 2HD1 LEU 113 -8.505 4.099 -13.959 665 3HD1 LEU 113 3HD1 LEU 113 -7.785 5.699 -14.127 666 1HD2 LEU 113 1HD2 LEU 113 -10.141 7.235 -12.760 667 2HD2 LEU 113 2HD2 LEU 113 -8.413 7.512 -12.541 668 3HD2 LEU 113 3HD2 LEU 113 -9.432 7.151 -11.147 669 H SER 114 H SER 114 -10.565 2.752 -8.940 670 HA SER 114 HA SER 114 -13.093 1.637 -9.591 671 1HB SER 114 1HB SER 114 -11.489 1.140 -7.073 672 2HB SER 114 2HB SER 114 -12.623 0.045 -7.869 673 HG SER 114 HG SER 114 -11.096 0.206 -9.722 674 H GLY 115 H GLY 115 -11.971 3.935 -7.199 675 1HA GLY 115 1HA GLY 115 -13.656 5.598 -6.561 676 2HA GLY 115 2HA GLY 115 -14.779 4.268 -6.351 677 H ASP 116 H ASP 116 -13.884 2.541 -4.722 678 HA ASP 116 HA ASP 116 -13.476 4.107 -2.291 679 1HB ASP 116 1HB ASP 116 -14.444 1.268 -2.684 680 2HB ASP 116 2HB ASP 116 -14.255 2.037 -1.114 681 H SER 117 H SER 117 -11.328 3.352 -4.080 682 HA SER 117 HA SER 117 -9.670 1.866 -2.206 683 1HB SER 117 1HB SER 117 -8.661 0.703 -4.252 684 2HB SER 117 2HB SER 117 -10.216 0.141 -3.654 685 HG SER 117 HG SER 117 -9.941 0.547 -6.022 686 H TYR 118 H TYR 118 -7.403 2.118 -2.510 687 HA TYR 118 HA TYR 118 -6.542 4.379 -4.166 688 1HB TYR 118 1HB TYR 118 -5.840 4.152 -1.226 689 2HB TYR 118 2HB TYR 118 -5.416 5.462 -2.326 690 HD1 TYR 118 HD1 TYR 118 -7.914 4.112 -0.115 691 HD2 TYR 118 HD2 TYR 118 -7.166 7.001 -3.125 692 HE1 TYR 118 HE1 TYR 118 -9.940 5.338 0.576 693 HE2 TYR 118 HE2 TYR 118 -9.191 8.245 -2.455 694 HH TYR 118 HH TYR 118 -11.353 7.759 -1.285 695 H TRP 119 H TRP 119 -4.475 4.084 -4.998 696 HA TRP 119 HA TRP 119 -3.427 1.406 -4.652 697 1HB TRP 119 1HB TRP 119 -2.566 3.733 -6.369 698 2HB TRP 119 2HB TRP 119 -1.779 2.146 -6.382 699 HD1 TRP 119 HD1 TRP 119 -5.322 3.623 -7.109 700 HE1 TRP 119 HE1 TRP 119 -6.290 2.299 -9.109 701 HE3 TRP 119 HE3 TRP 119 -1.539 0.263 -7.766 702 HZ2 TRP 119 HZ2 TRP 119 -5.529 0.120 -10.738 703 HZ3 TRP 119 HZ3 TRP 119 -1.720 -1.390 -9.541 704 HH2 TRP 119 HH2 TRP 119 -3.673 -1.474 -11.014 705 H VAL 120 H VAL 120 -1.167 1.064 -4.311 706 HA VAL 120 HA VAL 120 0.319 3.254 -3.133 707 HB VAL 120 HB VAL 120 -0.701 2.037 -1.571 708 1HG1 VAL 120 1HG1 VAL 120 -0.859 -0.140 -2.544 709 2HG1 VAL 120 2HG1 VAL 120 -0.019 -0.218 -0.996 710 3HG1 VAL 120 3HG1 VAL 120 0.898 -0.311 -2.501 711 1HG2 VAL 120 1HG2 VAL 120 1.317 3.179 -1.036 712 2HG2 VAL 120 2HG2 VAL 120 2.287 1.839 -1.650 713 3HG2 VAL 120 3HG2 VAL 120 1.309 1.628 -0.197 714 H PHE 121 H PHE 121 1.687 3.526 -4.805 715 HA PHE 121 HA PHE 121 3.122 1.270 -5.962 716 1HB PHE 121 1HB PHE 121 3.265 4.250 -6.479 717 2HB PHE 121 2HB PHE 121 4.287 3.068 -7.279 718 HD1 PHE 121 HD1 PHE 121 0.643 3.407 -6.561 719 HD2 PHE 121 HD2 PHE 121 3.667 2.641 -9.455 720 HE1 PHE 121 HE1 PHE 121 -1.088 3.092 -8.281 721 HE2 PHE 121 HE2 PHE 121 1.944 2.333 -11.180 722 HZ PHE 121 HZ PHE 121 -0.392 2.606 -10.650 723 H VAL 122 H VAL 122 4.587 0.458 -4.553 724 HA VAL 122 HA VAL 122 6.274 2.352 -3.078 725 HB VAL 122 HB VAL 122 7.018 0.529 -1.903 726 1HG1 VAL 122 1HG1 VAL 122 4.038 0.970 -1.975 727 2HG1 VAL 122 2HG1 VAL 122 5.214 1.974 -1.129 728 3HG1 VAL 122 3HG1 VAL 122 4.955 0.305 -0.623 729 1HG2 VAL 122 1HG2 VAL 122 6.594 -1.216 -3.578 730 2HG2 VAL 122 2HG2 VAL 122 4.860 -0.996 -3.338 731 3HG2 VAL 122 3HG2 VAL 122 5.868 -1.573 -2.013 732 H LYS 123 H LYS 123 8.526 2.098 -2.982 733 HA LYS 123 HA LYS 123 9.847 0.224 -4.713 734 1HB LYS 123 1HB LYS 123 9.133 2.073 -6.263 735 2HB LYS 123 2HB LYS 123 10.117 3.179 -5.313 736 1HG LYS 123 1HG LYS 123 11.347 2.549 -7.256 737 2HG LYS 123 2HG LYS 123 12.102 1.786 -5.856 738 1HD LYS 123 1HD LYS 123 12.006 0.169 -7.622 739 2HD LYS 123 2HD LYS 123 10.831 -0.294 -6.392 740 1HE LYS 123 1HE LYS 123 9.029 0.636 -7.712 741 2HE LYS 123 2HE LYS 123 10.177 1.227 -8.911 742 1HZ LYS 123 1HZ LYS 123 9.282 -0.756 -9.766 743 2HZ LYS 123 2HZ LYS 123 9.474 -1.588 -8.300 744 3HZ LYS 123 3HZ LYS 123 10.834 -1.165 -9.220 745 H ARG 124 H ARG 124 12.040 0.038 -4.215 746 HA ARG 124 HA ARG 124 13.085 1.937 -2.237 747 1HB ARG 124 1HB ARG 124 14.350 0.010 -1.206 748 2HB ARG 124 2HB ARG 124 12.615 0.005 -0.934 749 1HG ARG 124 1HG ARG 124 12.313 -1.699 -2.609 750 2HG ARG 124 2HG ARG 124 14.028 -1.636 -3.025 751 1HD ARG 124 1HD ARG 124 13.577 -3.542 -1.596 752 2HD ARG 124 2HD ARG 124 14.596 -2.373 -0.760 753 HE ARG 124 HE ARG 124 11.688 -2.432 -0.276 754 1HH1 ARG 124 1HH1 ARG 124 14.990 -2.734 0.881 755 2HH1 ARG 124 2HH1 ARG 124 14.527 -2.828 2.559 756 1HH2 ARG 124 1HH2 ARG 124 11.076 -2.534 1.937 757 2HH2 ARG 124 2HH2 ARG 124 12.304 -2.679 3.160 758 H VAL 125 H VAL 125 14.956 2.823 -2.803 759 HA VAL 125 HA VAL 125 16.243 1.775 -5.233 760 HB VAL 125 HB VAL 125 16.395 4.375 -4.016 761 1HG1 VAL 125 1HG1 VAL 125 17.338 3.239 -6.647 762 2HG1 VAL 125 2HG1 VAL 125 18.352 3.839 -5.334 763 3HG1 VAL 125 3HG1 VAL 125 17.323 4.953 -6.235 764 1HG2 VAL 125 1HG2 VAL 125 14.140 3.909 -4.754 765 2HG2 VAL 125 2HG2 VAL 125 14.745 3.347 -6.311 766 3HG2 VAL 125 3HG2 VAL 125 14.930 5.039 -5.853 767 H2 HC4 169 H2 HC4 169 -1.334 -3.786 21.288 768 H3 HC4 169 H3 HC4 169 0.013 -2.801 22.665 769 H2' HC4 169 H2' HC4 169 0.772 -1.411 24.478 770 H3' HC4 169 H3' HC4 169 0.415 0.122 26.362 771 H5' HC4 169 H5' HC4 169 -3.792 -0.144 25.765 772 H6' HC4 169 H6' HC4 169 -3.425 -1.660 23.876 773 'HO4 HC4 169 'HO4 HC4 169 -2.602 0.571 27.811 Start of MODEL 18 1 H LEU 26 H LEU 26 15.732 -5.171 -4.508 2 HA LEU 26 HA LEU 26 14.364 -3.311 -5.169 3 1HB LEU 26 1HB LEU 26 14.134 -4.874 -7.745 4 2HB LEU 26 2HB LEU 26 13.091 -3.533 -7.315 5 HG LEU 26 HG LEU 26 16.076 -3.364 -7.738 6 1HD1 LEU 26 1HD1 LEU 26 14.866 -3.746 -9.813 7 2HD1 LEU 26 2HD1 LEU 26 15.482 -2.095 -9.746 8 3HD1 LEU 26 3HD1 LEU 26 13.775 -2.413 -9.438 9 1HD2 LEU 26 1HD2 LEU 26 15.318 -1.751 -6.089 10 2HD2 LEU 26 2HD2 LEU 26 14.028 -1.223 -7.169 11 3HD2 LEU 26 3HD2 LEU 26 15.712 -0.935 -7.604 12 H ALA 27 H ALA 27 11.844 -3.727 -5.910 13 HA ALA 27 HA ALA 27 10.862 -6.301 -5.060 14 1HB ALA 27 1HB ALA 27 11.294 -5.219 -2.901 15 2HB ALA 27 2HB ALA 27 9.565 -5.447 -3.172 16 3HB ALA 27 3HB ALA 27 10.287 -3.854 -3.388 17 H PHE 28 H PHE 28 8.461 -6.367 -5.201 18 HA PHE 28 HA PHE 28 7.560 -4.787 -7.460 19 1HB PHE 28 1HB PHE 28 6.143 -6.967 -5.905 20 2HB PHE 28 2HB PHE 28 5.582 -6.250 -7.411 21 HD1 PHE 28 HD1 PHE 28 6.984 -6.556 -9.485 22 HD2 PHE 28 HD2 PHE 28 7.632 -8.777 -5.913 23 HE1 PHE 28 HE1 PHE 28 8.225 -8.250 -10.769 24 HE2 PHE 28 HE2 PHE 28 8.881 -10.471 -7.188 25 HZ PHE 28 HZ PHE 28 9.179 -10.208 -9.618 26 H GLY 29 H GLY 29 6.744 -2.835 -7.098 27 1HA GLY 29 1HA GLY 29 5.232 -2.436 -4.591 28 2HA GLY 29 2HA GLY 29 6.296 -1.215 -5.274 29 H ALA 30 H ALA 30 3.461 -3.172 -6.153 30 HA ALA 30 HA ALA 30 2.039 -0.750 -6.839 31 1HB ALA 30 1HB ALA 30 1.449 -1.449 -9.101 32 2HB ALA 30 2HB ALA 30 2.475 -2.875 -8.943 33 3HB ALA 30 3HB ALA 30 3.197 -1.265 -8.944 34 H ILE 31 H ILE 31 0.427 -1.173 -5.438 35 HA ILE 31 HA ILE 31 -1.204 -3.543 -5.949 36 HB ILE 31 HB ILE 31 0.078 -4.120 -4.285 37 1HG1 ILE 31 1HG1 ILE 31 -2.704 -3.412 -3.466 38 2HG1 ILE 31 2HG1 ILE 31 -2.080 -4.934 -4.095 39 1HG2 ILE 31 1HG2 ILE 31 -0.722 -1.574 -2.903 40 2HG2 ILE 31 2HG2 ILE 31 0.890 -1.999 -3.479 41 3HG2 ILE 31 3HG2 ILE 31 0.164 -2.898 -2.148 42 1HD1 ILE 31 1HD1 ILE 31 -2.546 -5.057 -1.707 43 2HD1 ILE 31 2HD1 ILE 31 -1.393 -3.755 -1.418 44 3HD1 ILE 31 3HD1 ILE 31 -0.833 -5.301 -2.055 45 H GLN 32 H GLN 32 -3.359 -3.235 -5.741 46 HA GLN 32 HA GLN 32 -4.189 -0.562 -4.850 47 1HB GLN 32 1HB GLN 32 -6.186 -0.781 -6.203 48 2HB GLN 32 2HB GLN 32 -4.746 -0.943 -7.181 49 1HG GLN 32 1HG GLN 32 -5.075 -3.196 -7.550 50 2HG GLN 32 2HG GLN 32 -6.172 -3.367 -6.181 51 1HE2 GLN 32 1HE2 GLN 32 -7.790 -1.036 -6.868 52 2HE2 GLN 32 2HE2 GLN 32 -8.702 -1.470 -8.263 53 H LEU 33 H LEU 33 -5.308 -0.396 -3.080 54 HA LEU 33 HA LEU 33 -6.825 -2.775 -2.207 55 1HB LEU 33 1HB LEU 33 -6.293 -2.320 0.088 56 2HB LEU 33 2HB LEU 33 -4.828 -2.522 -0.839 57 HG LEU 33 HG LEU 33 -4.816 0.086 -0.933 58 1HD1 LEU 33 1HD1 LEU 33 -7.014 0.443 0.049 59 2HD1 LEU 33 2HD1 LEU 33 -5.749 1.139 1.062 60 3HD1 LEU 33 3HD1 LEU 33 -6.505 -0.389 1.518 61 1HD2 LEU 33 1HD2 LEU 33 -4.156 -1.445 1.577 62 2HD2 LEU 33 2HD2 LEU 33 -3.512 0.137 1.135 63 3HD2 LEU 33 3HD2 LEU 33 -3.128 -1.277 0.154 64 H ASP 34 H ASP 34 -8.694 -2.370 -0.913 65 HA ASP 34 HA ASP 34 -10.088 -0.147 -2.153 66 1HB ASP 34 1HB ASP 34 -11.839 -1.516 -2.181 67 2HB ASP 34 2HB ASP 34 -10.791 -2.765 -1.536 68 H GLY 35 H GLY 35 -9.633 1.665 -1.203 69 1HA GLY 35 1HA GLY 35 -9.996 3.461 0.145 70 2HA GLY 35 2HA GLY 35 -11.583 2.743 0.240 71 H ASP 36 H ASP 36 -8.850 1.191 1.786 72 HA ASP 36 HA ASP 36 -9.094 2.238 4.358 73 1HB ASP 36 1HB ASP 36 -11.424 1.664 4.232 74 2HB ASP 36 2HB ASP 36 -11.036 0.042 3.666 75 H GLY 37 H GLY 37 -9.161 -1.044 2.850 76 1HA GLY 37 1HA GLY 37 -6.496 -1.588 3.687 77 2HA GLY 37 2HA GLY 37 -7.638 -2.265 4.824 78 H ASN 38 H ASN 38 -9.592 -2.937 2.552 79 HA ASN 38 HA ASN 38 -8.571 -5.597 2.345 80 1HB ASN 38 1HB ASN 38 -11.012 -4.232 1.274 81 2HB ASN 38 2HB ASN 38 -10.581 -5.837 0.700 82 1HD2 ASN 38 1HD2 ASN 38 -11.483 -3.945 3.514 83 2HD2 ASN 38 2HD2 ASN 38 -12.020 -5.292 4.466 84 H ILE 39 H ILE 39 -7.096 -6.302 1.006 85 HA ILE 39 HA ILE 39 -6.189 -4.763 -1.206 86 HB ILE 39 HB ILE 39 -5.701 -7.458 -0.337 87 1HG1 ILE 39 1HG1 ILE 39 -4.083 -4.938 -0.190 88 2HG1 ILE 39 2HG1 ILE 39 -5.030 -5.599 1.135 89 1HG2 ILE 39 1HG2 ILE 39 -4.377 -5.843 -2.517 90 2HG2 ILE 39 2HG2 ILE 39 -5.307 -7.324 -2.738 91 3HG2 ILE 39 3HG2 ILE 39 -3.774 -7.366 -1.867 92 1HD1 ILE 39 1HD1 ILE 39 -3.653 -7.606 1.111 93 2HD1 ILE 39 2HD1 ILE 39 -2.692 -6.149 1.374 94 3HD1 ILE 39 3HD1 ILE 39 -2.699 -6.929 -0.209 95 H LEU 40 H LEU 40 -6.768 -4.811 -3.251 96 HA LEU 40 HA LEU 40 -8.788 -6.788 -4.048 97 1HB LEU 40 1HB LEU 40 -9.336 -4.369 -4.225 98 2HB LEU 40 2HB LEU 40 -8.036 -4.193 -5.389 99 HG LEU 40 HG LEU 40 -9.203 -5.692 -6.943 100 1HD1 LEU 40 1HD1 LEU 40 -10.348 -7.091 -5.297 101 2HD1 LEU 40 2HD1 LEU 40 -11.482 -6.426 -6.473 102 3HD1 LEU 40 3HD1 LEU 40 -11.381 -5.731 -4.855 103 1HD2 LEU 40 1HD2 LEU 40 -9.620 -3.286 -7.048 104 2HD2 LEU 40 2HD2 LEU 40 -10.946 -3.463 -5.900 105 3HD2 LEU 40 3HD2 LEU 40 -11.057 -4.206 -7.495 106 H GLN 41 H GLN 41 -5.806 -5.244 -5.228 107 HA GLN 41 HA GLN 41 -5.147 -7.683 -6.672 108 1HB GLN 41 1HB GLN 41 -6.509 -6.422 -8.293 109 2HB GLN 41 2HB GLN 41 -5.425 -5.048 -8.131 110 1HG GLN 41 1HG GLN 41 -3.576 -6.505 -8.955 111 2HG GLN 41 2HG GLN 41 -4.778 -7.753 -9.273 112 1HE2 GLN 41 1HE2 GLN 41 -2.999 -6.332 -11.105 113 2HE2 GLN 41 2HE2 GLN 41 -4.024 -5.598 -12.293 114 H TYR 42 H TYR 42 -2.984 -7.951 -7.050 115 HA TYR 42 HA TYR 42 -1.164 -5.804 -6.187 116 1HB TYR 42 1HB TYR 42 -1.514 -7.501 -4.389 117 2HB TYR 42 2HB TYR 42 -0.914 -8.737 -5.484 118 HD1 TYR 42 HD1 TYR 42 1.414 -9.102 -5.752 119 HD2 TYR 42 HD2 TYR 42 0.030 -5.691 -3.624 120 HE1 TYR 42 HE1 TYR 42 3.698 -8.692 -4.940 121 HE2 TYR 42 HE2 TYR 42 2.313 -5.266 -2.810 122 HH TYR 42 HH TYR 42 4.377 -6.480 -2.430 123 H ASN 43 H ASN 43 0.670 -5.599 -7.420 124 HA ASN 43 HA ASN 43 0.781 -7.318 -9.791 125 1HB ASN 43 1HB ASN 43 1.811 -4.544 -9.249 126 2HB ASN 43 2HB ASN 43 2.383 -5.484 -10.623 127 1HD2 ASN 43 1HD2 ASN 43 -0.292 -3.788 -9.226 128 2HD2 ASN 43 2HD2 ASN 43 -1.286 -3.765 -10.648 129 H ALA 44 H ALA 44 1.867 -9.075 -8.943 130 HA ALA 44 HA ALA 44 4.740 -8.585 -8.495 131 1HB ALA 44 1HB ALA 44 3.123 -10.992 -7.654 132 2HB ALA 44 2HB ALA 44 3.636 -9.686 -6.586 133 3HB ALA 44 3HB ALA 44 4.838 -10.730 -7.346 134 H ALA 45 H ALA 45 2.295 -10.211 -10.311 135 HA ALA 45 HA ALA 45 4.191 -10.770 -12.425 136 1HB ALA 45 1HB ALA 45 2.477 -12.968 -11.260 137 2HB ALA 45 2HB ALA 45 4.230 -12.839 -11.110 138 3HB ALA 45 3HB ALA 45 3.495 -13.094 -12.692 139 H GLU 46 H GLU 46 3.270 -10.372 -14.368 140 HA GLU 46 HA GLU 46 0.438 -9.627 -14.326 141 1HB GLU 46 1HB GLU 46 2.537 -9.075 -16.432 142 2HB GLU 46 2HB GLU 46 0.911 -8.404 -16.386 143 1HG GLU 46 1HG GLU 46 1.441 -7.231 -14.319 144 2HG GLU 46 2HG GLU 46 3.063 -7.919 -14.337 145 H GLY 47 H GLY 47 2.068 -12.306 -14.860 146 1HA GLY 47 1HA GLY 47 0.078 -13.349 -16.717 147 2HA GLY 47 2HA GLY 47 1.760 -13.472 -17.216 148 H ASP 48 H ASP 48 1.211 -15.808 -17.201 149 HA ASP 48 HA ASP 48 1.022 -17.000 -14.559 150 1HB ASP 48 1HB ASP 48 1.033 -18.200 -17.328 151 2HB ASP 48 2HB ASP 48 0.987 -19.160 -15.853 152 H ILE 49 H ILE 49 2.623 -18.072 -13.525 153 HA ILE 49 HA ILE 49 5.244 -18.131 -14.875 154 HB ILE 49 HB ILE 49 5.047 -18.229 -12.052 155 1HG1 ILE 49 1HG1 ILE 49 5.426 -15.582 -12.515 156 2HG1 ILE 49 2HG1 ILE 49 4.191 -15.955 -13.712 157 1HG2 ILE 49 1HG2 ILE 49 6.938 -17.026 -14.066 158 2HG2 ILE 49 2HG2 ILE 49 7.151 -18.565 -13.230 159 3HG2 ILE 49 3HG2 ILE 49 7.174 -17.055 -12.318 160 1HD1 ILE 49 1HD1 ILE 49 3.991 -16.469 -10.753 161 2HD1 ILE 49 2HD1 ILE 49 2.755 -16.843 -11.952 162 3HD1 ILE 49 3HD1 ILE 49 3.203 -15.167 -11.644 163 H THR 50 H THR 50 3.480 -20.174 -15.195 164 HA THR 50 HA THR 50 3.102 -22.399 -14.949 165 HB THR 50 HB THR 50 5.792 -22.519 -13.968 166 HG1 THR 50 HG1 THR 50 4.934 -22.265 -16.682 167 1HG2 THR 50 1HG2 THR 50 4.118 -24.236 -15.798 168 2HG2 THR 50 2HG2 THR 50 4.489 -24.598 -14.112 169 3HG2 THR 50 3HG2 THR 50 5.784 -24.551 -15.310 170 H GLY 51 H GLY 51 1.987 -21.267 -12.887 171 1HA GLY 51 1HA GLY 51 1.491 -23.010 -10.964 172 2HA GLY 51 2HA GLY 51 3.041 -22.390 -10.406 173 H ARG 52 H ARG 52 0.254 -22.201 -9.317 174 HA ARG 52 HA ARG 52 -0.313 -19.356 -9.530 175 1HB ARG 52 1HB ARG 52 -1.790 -21.449 -7.922 176 2HB ARG 52 2HB ARG 52 -2.332 -19.813 -8.260 177 1HG ARG 52 1HG ARG 52 -3.560 -21.054 -9.760 178 2HG ARG 52 2HG ARG 52 -2.183 -20.550 -10.743 179 1HD ARG 52 1HD ARG 52 -1.110 -22.692 -10.398 180 2HD ARG 52 2HD ARG 52 -2.408 -23.199 -9.319 181 HE ARG 52 HE ARG 52 -3.203 -22.474 -12.013 182 1HH1 ARG 52 1HH1 ARG 52 -2.277 -25.034 -9.811 183 2HH1 ARG 52 2HH1 ARG 52 -3.050 -26.289 -10.738 184 1HH2 ARG 52 1HH2 ARG 52 -4.220 -24.116 -13.241 185 2HH2 ARG 52 2HH2 ARG 52 -4.105 -25.771 -12.717 186 H ASP 53 H ASP 53 1.193 -18.255 -8.390 187 HA ASP 53 HA ASP 53 1.813 -19.086 -5.658 188 1HB ASP 53 1HB ASP 53 3.694 -18.459 -7.108 189 2HB ASP 53 2HB ASP 53 2.993 -16.858 -7.338 190 HA PRO 54 HA PRO 54 -1.130 -15.918 -4.432 191 1HB PRO 54 1HB PRO 54 -2.010 -17.141 -2.234 192 2HB PRO 54 2HB PRO 54 -2.426 -17.745 -3.842 193 1HG PRO 54 1HG PRO 54 -0.492 -18.819 -1.862 194 2HG PRO 54 2HG PRO 54 -1.470 -19.676 -3.064 195 1HD PRO 54 1HD PRO 54 1.262 -18.916 -3.293 196 2HD PRO 54 2HD PRO 54 0.233 -19.623 -4.554 197 H LYS 55 H LYS 55 1.870 -16.605 -3.231 198 HA LYS 55 HA LYS 55 1.595 -15.335 -0.649 199 1HB LYS 55 1HB LYS 55 4.024 -16.355 -2.121 200 2HB LYS 55 2HB LYS 55 4.055 -15.690 -0.492 201 1HG LYS 55 1HG LYS 55 2.520 -17.461 0.244 202 2HG LYS 55 2HG LYS 55 2.552 -18.143 -1.384 203 1HD LYS 55 1HD LYS 55 4.949 -17.803 0.414 204 2HD LYS 55 2HD LYS 55 4.069 -19.311 0.161 205 1HE LYS 55 1HE LYS 55 4.594 -19.107 -2.276 206 2HE LYS 55 2HE LYS 55 5.633 -17.738 -1.879 207 1HZ LYS 55 1HZ LYS 55 5.953 -20.546 -0.971 208 2HZ LYS 55 2HZ LYS 55 6.877 -19.252 -0.382 209 3HZ LYS 55 3HZ LYS 55 6.975 -19.683 -2.019 210 H GLN 56 H GLN 56 0.693 -13.538 -2.231 211 HA GLN 56 HA GLN 56 2.874 -11.628 -2.752 212 1HB GLN 56 1HB GLN 56 0.161 -11.845 -4.066 213 2HB GLN 56 2HB GLN 56 1.345 -10.590 -4.402 214 1HG GLN 56 1HG GLN 56 2.889 -12.225 -5.269 215 2HG GLN 56 2HG GLN 56 1.786 -13.532 -4.844 216 1HE2 GLN 56 1HE2 GLN 56 1.646 -14.253 -6.952 217 2HE2 GLN 56 2HE2 GLN 56 0.776 -13.388 -8.171 218 H VAL 57 H VAL 57 0.898 -12.305 -0.407 219 HA VAL 57 HA VAL 57 -0.263 -11.230 1.208 220 HB VAL 57 HB VAL 57 1.056 -8.875 0.248 221 1HG1 VAL 57 1HG1 VAL 57 -0.713 -8.509 1.892 222 2HG1 VAL 57 2HG1 VAL 57 0.873 -8.248 2.616 223 3HG1 VAL 57 3HG1 VAL 57 -0.007 -9.743 2.937 224 1HG2 VAL 57 1HG2 VAL 57 2.693 -10.646 0.495 225 2HG2 VAL 57 2HG2 VAL 57 2.053 -11.029 2.093 226 3HG2 VAL 57 3HG2 VAL 57 2.835 -9.474 1.805 227 H ILE 58 H ILE 58 -2.071 -11.646 -0.345 228 HA ILE 58 HA ILE 58 -3.486 -9.119 -0.858 229 HB ILE 58 HB ILE 58 -4.494 -9.984 -2.659 230 1HG1 ILE 58 1HG1 ILE 58 -2.597 -12.321 -2.406 231 2HG1 ILE 58 2HG1 ILE 58 -4.330 -12.386 -2.102 232 1HG2 ILE 58 1HG2 ILE 58 -1.487 -10.047 -2.791 233 2HG2 ILE 58 2HG2 ILE 58 -2.517 -8.623 -2.933 234 3HG2 ILE 58 3HG2 ILE 58 -2.570 -9.874 -4.173 235 1HD1 ILE 58 1HD1 ILE 58 -3.011 -11.764 -4.735 236 2HD1 ILE 58 2HD1 ILE 58 -4.749 -11.792 -4.439 237 3HD1 ILE 58 3HD1 ILE 58 -3.804 -13.274 -4.288 238 H GLY 59 H GLY 59 -5.831 -9.549 -1.244 239 1HA GLY 59 1HA GLY 59 -7.854 -10.389 -0.492 240 2HA GLY 59 2HA GLY 59 -7.017 -11.886 -0.091 241 H LYS 60 H LYS 60 -6.299 -8.649 1.010 242 HA LYS 60 HA LYS 60 -6.090 -9.511 3.718 243 1HB LYS 60 1HB LYS 60 -4.581 -7.831 2.793 244 2HB LYS 60 2HB LYS 60 -5.937 -6.774 2.434 245 1HG LYS 60 1HG LYS 60 -4.761 -6.002 4.398 246 2HG LYS 60 2HG LYS 60 -6.372 -6.563 4.850 247 1HD LYS 60 1HD LYS 60 -5.452 -8.670 5.623 248 2HD LYS 60 2HD LYS 60 -3.838 -8.173 5.109 249 1HE LYS 60 1HE LYS 60 -3.825 -6.379 6.719 250 2HE LYS 60 2HE LYS 60 -5.500 -6.711 7.157 251 1HZ LYS 60 1HZ LYS 60 -4.857 -8.802 8.086 252 2HZ LYS 60 2HZ LYS 60 -3.858 -7.604 8.752 253 3HZ LYS 60 3HZ LYS 60 -3.264 -8.628 7.539 254 H ASN 61 H ASN 61 -8.180 -10.256 4.162 255 HA ASN 61 HA ASN 61 -10.303 -8.259 4.206 256 1HB ASN 61 1HB ASN 61 -10.904 -10.465 3.353 257 2HB ASN 61 2HB ASN 61 -10.375 -11.216 4.855 258 1HD2 ASN 61 1HD2 ASN 61 -12.797 -9.171 3.370 259 2HD2 ASN 61 2HD2 ASN 61 -13.990 -9.365 4.611 260 H PHE 62 H PHE 62 -9.823 -6.910 5.777 261 HA PHE 62 HA PHE 62 -10.411 -7.670 8.463 262 1HB PHE 62 1HB PHE 62 -7.949 -8.294 8.176 263 2HB PHE 62 2HB PHE 62 -7.630 -6.579 7.950 264 HD1 PHE 62 HD1 PHE 62 -7.589 -5.076 9.807 265 HD2 PHE 62 HD2 PHE 62 -8.717 -9.144 10.345 266 HE1 PHE 62 HE1 PHE 62 -7.373 -4.813 12.245 267 HE2 PHE 62 HE2 PHE 62 -8.507 -8.887 12.780 268 HZ PHE 62 HZ PHE 62 -7.834 -6.718 13.734 269 H PHE 63 H PHE 63 -12.004 -6.106 8.245 270 HA PHE 63 HA PHE 63 -11.453 -3.624 6.945 271 1HB PHE 63 1HB PHE 63 -13.674 -4.773 6.887 272 2HB PHE 63 2HB PHE 63 -13.891 -4.343 8.580 273 HD1 PHE 63 HD1 PHE 63 -14.648 -2.194 9.203 274 HD2 PHE 63 HD2 PHE 63 -13.464 -2.958 5.185 275 HE1 PHE 63 HE1 PHE 63 -15.568 -0.018 8.520 276 HE2 PHE 63 HE2 PHE 63 -14.383 -0.781 4.498 277 HZ PHE 63 HZ PHE 63 -15.434 0.691 6.167 278 H LYS 64 H LYS 64 -12.804 -4.075 10.226 279 HA LYS 64 HA LYS 64 -10.865 -2.192 11.277 280 1HB LYS 64 1HB LYS 64 -13.021 -1.029 10.244 281 2HB LYS 64 2HB LYS 64 -13.721 -1.488 11.787 282 1HG LYS 64 1HG LYS 64 -12.961 0.512 12.450 283 2HG LYS 64 2HG LYS 64 -11.423 -0.336 12.615 284 1HD LYS 64 1HD LYS 64 -12.299 1.136 10.128 285 2HD LYS 64 2HD LYS 64 -11.271 1.826 11.384 286 1HE LYS 64 1HE LYS 64 -9.560 0.204 10.956 287 2HE LYS 64 2HE LYS 64 -10.605 -0.681 9.847 288 1HZ LYS 64 1HZ LYS 64 -8.974 0.711 8.698 289 2HZ LYS 64 2HZ LYS 64 -9.639 2.096 9.420 290 3HZ LYS 64 3HZ LYS 64 -10.563 1.176 8.330 291 H ASP 65 H ASP 65 -10.467 -4.342 12.282 292 HA ASP 65 HA ASP 65 -12.325 -4.901 14.489 293 1HB ASP 65 1HB ASP 65 -10.178 -6.631 13.241 294 2HB ASP 65 2HB ASP 65 -11.075 -7.074 14.689 295 H VAL 66 H VAL 66 -11.311 -5.525 16.564 296 HA VAL 66 HA VAL 66 -9.262 -3.556 17.193 297 HB VAL 66 HB VAL 66 -10.618 -5.356 18.969 298 1HG1 VAL 66 1HG1 VAL 66 -9.247 -2.684 19.285 299 2HG1 VAL 66 2HG1 VAL 66 -8.618 -4.240 19.827 300 3HG1 VAL 66 3HG1 VAL 66 -10.075 -3.572 20.565 301 1HG2 VAL 66 1HG2 VAL 66 -12.290 -4.165 17.672 302 2HG2 VAL 66 2HG2 VAL 66 -11.463 -2.641 17.986 303 3HG2 VAL 66 3HG2 VAL 66 -12.203 -3.533 19.315 304 H ALA 67 H ALA 67 -7.605 -4.767 16.079 305 HA ALA 67 HA ALA 67 -6.736 -7.334 16.663 306 1HB ALA 67 1HB ALA 67 -5.862 -5.990 14.816 307 2HB ALA 67 2HB ALA 67 -4.560 -6.638 15.815 308 3HB ALA 67 3HB ALA 67 -5.030 -4.945 15.968 309 HA PRO 68 HA PRO 68 -5.856 -7.000 20.995 310 1HB PRO 68 1HB PRO 68 -4.223 -9.426 20.438 311 2HB PRO 68 2HB PRO 68 -5.496 -9.172 21.638 312 1HG PRO 68 1HG PRO 68 -5.981 -10.602 19.452 313 2HG PRO 68 2HG PRO 68 -7.201 -9.483 20.091 314 1HD PRO 68 1HD PRO 68 -5.366 -9.152 17.752 315 2HD PRO 68 2HD PRO 68 -7.066 -8.672 17.928 316 H CYS 69 H CYS 69 -3.211 -7.677 18.719 317 HA CYS 69 HA CYS 69 -1.217 -6.814 20.617 318 1HB CYS 69 1HB CYS 69 -0.836 -8.592 18.851 319 2HB CYS 69 2HB CYS 69 -0.804 -7.290 17.664 320 H THR 70 H THR 70 -3.198 -5.327 18.266 321 HA THR 70 HA THR 70 -3.471 -3.187 17.583 322 HB THR 70 HB THR 70 -1.263 -2.593 19.320 323 HG1 THR 70 HG1 THR 70 -3.601 -3.643 19.894 324 1HG2 THR 70 1HG2 THR 70 -1.802 -0.831 17.715 325 2HG2 THR 70 2HG2 THR 70 -2.312 -0.386 19.344 326 3HG2 THR 70 3HG2 THR 70 -3.504 -0.936 18.164 327 H ASP 71 H ASP 71 0.032 -3.814 17.999 328 HA ASP 71 HA ASP 71 0.686 -2.284 15.647 329 1HB ASP 71 1HB ASP 71 2.201 -2.431 17.630 330 2HB ASP 71 2HB ASP 71 2.476 -4.127 17.248 331 H SER 72 H SER 72 -0.365 -3.276 13.963 332 HA SER 72 HA SER 72 1.167 -5.335 12.742 333 1HB SER 72 1HB SER 72 -0.916 -6.790 12.286 334 2HB SER 72 2HB SER 72 -0.127 -6.927 13.853 335 HG SER 72 HG SER 72 -2.297 -6.762 14.232 336 HA PRO 73 HA PRO 73 -1.660 -3.244 9.541 337 1HB PRO 73 1HB PRO 73 -3.338 -1.263 10.784 338 2HB PRO 73 2HB PRO 73 -3.831 -2.704 9.893 339 1HG PRO 73 1HG PRO 73 -4.229 -2.348 12.583 340 2HG PRO 73 2HG PRO 73 -4.111 -3.933 11.796 341 1HD PRO 73 1HD PRO 73 -2.023 -2.406 13.309 342 2HD PRO 73 2HD PRO 73 -2.395 -4.145 13.343 343 H GLU 74 H GLU 74 -0.118 -2.019 8.640 344 HA GLU 74 HA GLU 74 0.901 0.310 10.098 345 1HB GLU 74 1HB GLU 74 1.998 -1.085 7.651 346 2HB GLU 74 2HB GLU 74 2.762 0.257 8.492 347 1HG GLU 74 1HG GLU 74 2.998 -1.117 10.488 348 2HG GLU 74 2HG GLU 74 2.223 -2.464 9.656 349 H PHE 75 H PHE 75 0.748 2.366 9.317 350 HA PHE 75 HA PHE 75 -0.732 2.728 6.799 351 1HB PHE 75 1HB PHE 75 -1.184 5.065 7.746 352 2HB PHE 75 2HB PHE 75 -2.016 3.720 8.513 353 HD1 PHE 75 HD1 PHE 75 -1.519 3.091 10.787 354 HD2 PHE 75 HD2 PHE 75 0.616 6.241 8.881 355 HE1 PHE 75 HE1 PHE 75 -0.621 3.793 12.967 356 HE2 PHE 75 HE2 PHE 75 1.518 6.951 11.057 357 HZ PHE 75 HZ PHE 75 0.830 5.745 13.128 358 H TYR 76 H TYR 76 -0.028 4.448 5.367 359 HA TYR 76 HA TYR 76 2.887 4.729 5.578 360 1HB TYR 76 1HB TYR 76 1.187 4.168 3.156 361 2HB TYR 76 2HB TYR 76 2.876 4.658 3.051 362 HD1 TYR 76 HD1 TYR 76 4.655 3.154 3.896 363 HD2 TYR 76 HD2 TYR 76 0.573 1.960 3.850 364 HE1 TYR 76 HE1 TYR 76 5.346 0.806 4.159 365 HE2 TYR 76 HE2 TYR 76 1.249 -0.386 4.118 366 HH TYR 76 HH TYR 76 3.176 -1.808 3.710 367 H GLY 77 H GLY 77 0.411 6.268 3.418 368 1HA GLY 77 1HA GLY 77 1.927 8.752 3.937 369 2HA GLY 77 2HA GLY 77 1.306 8.319 2.353 370 H LYS 78 H LYS 78 0.476 9.375 5.582 371 HA LYS 78 HA LYS 78 -1.314 10.494 6.438 372 1HB LYS 78 1HB LYS 78 -1.604 11.274 3.528 373 2HB LYS 78 2HB LYS 78 -2.631 11.920 4.793 374 1HG LYS 78 1HG LYS 78 -0.908 13.505 4.259 375 2HG LYS 78 2HG LYS 78 -0.645 12.883 5.887 376 1HD LYS 78 1HD LYS 78 1.176 11.559 5.200 377 2HD LYS 78 2HD LYS 78 0.752 11.718 3.495 378 1HE LYS 78 1HE LYS 78 2.729 13.075 4.233 379 2HE LYS 78 2HE LYS 78 1.447 13.990 3.448 380 1HZ LYS 78 1HZ LYS 78 0.749 14.879 5.489 381 2HZ LYS 78 2HZ LYS 78 2.442 14.992 5.513 382 3HZ LYS 78 3HZ LYS 78 1.662 13.771 6.398 383 H PHE 79 H PHE 79 -1.601 7.722 5.650 384 HA PHE 79 HA PHE 79 -3.569 7.136 3.821 385 1HB PHE 79 1HB PHE 79 -1.924 5.551 4.898 386 2HB PHE 79 2HB PHE 79 -3.015 5.475 6.278 387 HD1 PHE 79 HD1 PHE 79 -5.058 4.231 6.177 388 HD2 PHE 79 HD2 PHE 79 -2.587 4.621 2.736 389 HE1 PHE 79 HE1 PHE 79 -6.340 2.452 5.060 390 HE2 PHE 79 HE2 PHE 79 -3.866 2.847 1.607 391 HZ PHE 79 HZ PHE 79 -5.750 1.756 2.768 392 H LYS 80 H LYS 80 -3.972 7.944 7.222 393 HA LYS 80 HA LYS 80 -6.610 6.920 7.483 394 1HB LYS 80 1HB LYS 80 -5.209 7.318 9.447 395 2HB LYS 80 2HB LYS 80 -5.184 9.042 9.101 396 1HG LYS 80 1HG LYS 80 -7.598 9.153 9.461 397 2HG LYS 80 2HG LYS 80 -7.623 7.426 9.807 398 1HD LYS 80 1HD LYS 80 -6.191 7.769 11.738 399 2HD LYS 80 2HD LYS 80 -6.089 9.494 11.375 400 1HE LYS 80 1HE LYS 80 -8.527 9.680 11.670 401 2HE LYS 80 2HE LYS 80 -8.594 7.966 12.079 402 1HZ LYS 80 1HZ LYS 80 -7.266 8.371 14.016 403 2HZ LYS 80 2HZ LYS 80 -8.582 9.441 14.031 404 3HZ LYS 80 3HZ LYS 80 -7.043 9.999 13.592 405 H GLU 81 H GLU 81 -5.306 10.150 6.866 406 HA GLU 81 HA GLU 81 -7.956 11.270 6.601 407 1HB GLU 81 1HB GLU 81 -6.028 12.532 7.592 408 2HB GLU 81 2HB GLU 81 -5.287 12.557 5.998 409 1HG GLU 81 1HG GLU 81 -6.949 13.954 5.124 410 2HG GLU 81 2HG GLU 81 -8.023 13.670 6.495 411 H GLY 82 H GLY 82 -5.478 9.935 4.625 412 1HA GLY 82 1HA GLY 82 -6.065 10.923 2.126 413 2HA GLY 82 2HA GLY 82 -5.412 9.340 2.457 414 H VAL 83 H VAL 83 -7.397 8.250 3.922 415 HA VAL 83 HA VAL 83 -9.173 7.322 1.909 416 HB VAL 83 HB VAL 83 -9.220 7.132 4.776 417 1HG1 VAL 83 1HG1 VAL 83 -11.449 6.766 3.842 418 2HG1 VAL 83 2HG1 VAL 83 -10.738 5.242 4.369 419 3HG1 VAL 83 3HG1 VAL 83 -10.780 5.648 2.653 420 1HG2 VAL 83 1HG2 VAL 83 -7.237 6.193 3.738 421 2HG2 VAL 83 2HG2 VAL 83 -8.244 5.293 2.603 422 3HG2 VAL 83 3HG2 VAL 83 -8.305 4.918 4.326 423 H ALA 84 H ALA 84 -9.682 9.377 4.773 424 HA ALA 84 HA ALA 84 -12.507 9.450 4.293 425 1HB ALA 84 1HB ALA 84 -11.584 9.395 6.571 426 2HB ALA 84 2HB ALA 84 -12.632 10.790 6.311 427 3HB ALA 84 3HB ALA 84 -10.879 10.989 6.309 428 H SER 85 H SER 85 -9.788 11.508 3.682 429 HA SER 85 HA SER 85 -11.279 13.830 2.996 430 1HB SER 85 1HB SER 85 -8.774 13.742 3.401 431 2HB SER 85 2HB SER 85 -8.615 13.007 1.808 432 HG SER 85 HG SER 85 -8.473 15.466 2.179 433 H GLY 86 H GLY 86 -10.482 10.860 1.369 434 1HA GLY 86 1HA GLY 86 -11.644 9.892 -0.392 435 2HA GLY 86 2HA GLY 86 -12.517 11.404 -0.613 436 H ASN 87 H ASN 87 -9.046 11.273 -0.445 437 HA ASN 87 HA ASN 87 -8.646 11.217 -3.271 438 1HB ASN 87 1HB ASN 87 -7.751 13.556 -3.470 439 2HB ASN 87 2HB ASN 87 -9.493 13.457 -3.253 440 1HD2 ASN 87 1HD2 ASN 87 -10.410 14.217 -1.374 441 2HD2 ASN 87 2HD2 ASN 87 -9.536 15.151 -0.209 442 H LEU 88 H LEU 88 -7.509 9.631 -1.534 443 HA LEU 88 HA LEU 88 -4.976 10.518 -0.601 444 1HB LEU 88 1HB LEU 88 -6.510 8.355 -0.109 445 2HB LEU 88 2HB LEU 88 -5.343 7.661 -1.223 446 HG LEU 88 HG LEU 88 -4.660 9.171 1.242 447 1HD1 LEU 88 1HD1 LEU 88 -4.756 6.195 0.770 448 2HD1 LEU 88 2HD1 LEU 88 -5.783 7.119 1.867 449 3HD1 LEU 88 3HD1 LEU 88 -4.057 6.957 2.199 450 1HD2 LEU 88 1HD2 LEU 88 -2.950 7.496 -0.569 451 2HD2 LEU 88 2HD2 LEU 88 -2.419 8.248 0.935 452 3HD2 LEU 88 3HD2 LEU 88 -2.916 9.254 -0.428 453 H ASN 89 H ASN 89 -4.080 11.539 -2.469 454 HA ASN 89 HA ASN 89 -2.671 9.602 -4.119 455 1HB ASN 89 1HB ASN 89 -4.462 10.131 -5.595 456 2HB ASN 89 2HB ASN 89 -4.359 11.844 -5.221 457 1HD2 ASN 89 1HD2 ASN 89 -2.913 13.113 -6.305 458 2HD2 ASN 89 2HD2 ASN 89 -1.934 12.548 -7.611 459 H THR 90 H THR 90 -0.683 9.992 -3.307 460 HA THR 90 HA THR 90 0.502 12.536 -4.044 461 HB THR 90 HB THR 90 -0.377 12.797 -1.913 462 HG1 THR 90 HG1 THR 90 2.363 12.861 -1.519 463 1HG2 THR 90 1HG2 THR 90 -0.106 10.539 -1.044 464 2HG2 THR 90 2HG2 THR 90 0.722 11.722 -0.033 465 3HG2 THR 90 3HG2 THR 90 1.648 10.708 -1.139 466 H MET 91 H MET 91 2.831 12.497 -3.886 467 HA MET 91 HA MET 91 3.948 9.785 -3.677 468 1HB MET 91 1HB MET 91 5.453 10.191 -5.511 469 2HB MET 91 2HB MET 91 3.813 10.472 -6.053 470 1HG MET 91 1HG MET 91 4.881 12.247 -7.004 471 2HG MET 91 2HG MET 91 4.376 12.966 -5.476 472 1HE MET 91 1HE MET 91 6.671 14.251 -7.289 473 2HE MET 91 2HE MET 91 7.845 14.671 -6.040 474 3HE MET 91 3HE MET 91 6.125 14.914 -5.748 475 H PHE 92 H PHE 92 6.008 9.629 -2.809 476 HA PHE 92 HA PHE 92 7.497 11.927 -1.994 477 1HB PHE 92 1HB PHE 92 5.670 11.991 -0.322 478 2HB PHE 92 2HB PHE 92 6.060 10.343 0.155 479 HD1 PHE 92 HD1 PHE 92 7.684 13.688 -0.179 480 HD2 PHE 92 HD2 PHE 92 7.429 10.023 1.970 481 HE1 PHE 92 HE1 PHE 92 9.281 14.554 1.483 482 HE2 PHE 92 HE2 PHE 92 9.028 10.880 3.629 483 HZ PHE 92 HZ PHE 92 9.956 13.147 3.387 484 H GLU 93 H GLU 93 9.578 11.355 -1.469 485 HA GLU 93 HA GLU 93 10.149 8.479 -1.507 486 1HB GLU 93 1HB GLU 93 12.031 10.819 -1.906 487 2HB GLU 93 2HB GLU 93 12.457 9.119 -2.050 488 1HG GLU 93 1HG GLU 93 10.955 8.886 -3.947 489 2HG GLU 93 2HG GLU 93 10.483 10.578 -3.791 490 H TYR 94 H TYR 94 10.452 7.572 0.415 491 HA TYR 94 HA TYR 94 11.352 9.285 2.639 492 1HB TYR 94 1HB TYR 94 8.954 8.738 2.795 493 2HB TYR 94 2HB TYR 94 9.337 7.024 2.722 494 HD1 TYR 94 HD1 TYR 94 9.479 5.850 4.710 495 HD2 TYR 94 HD2 TYR 94 10.161 10.049 4.753 496 HE1 TYR 94 HE1 TYR 94 9.678 5.786 7.159 497 HE2 TYR 94 HE2 TYR 94 10.361 9.997 7.204 498 HH TYR 94 HH TYR 94 9.665 8.607 9.078 499 H THR 95 H THR 95 12.957 8.510 3.923 500 HA THR 95 HA THR 95 14.114 5.933 3.200 501 HB THR 95 HB THR 95 15.709 6.683 4.902 502 HG1 THR 95 HG1 THR 95 14.989 9.239 4.045 503 1HG2 THR 95 1HG2 THR 95 16.129 6.389 2.520 504 2HG2 THR 95 2HG2 THR 95 16.904 7.850 3.134 505 3HG2 THR 95 3HG2 THR 95 15.415 7.967 2.196 506 H PHE 96 H PHE 96 14.463 4.285 4.683 507 HA PHE 96 HA PHE 96 12.704 4.472 7.028 508 1HB PHE 96 1HB PHE 96 13.478 2.174 5.268 509 2HB PHE 96 2HB PHE 96 12.907 1.884 6.908 510 HD1 PHE 96 HD1 PHE 96 10.639 2.741 7.563 511 HD2 PHE 96 HD2 PHE 96 11.978 2.612 3.527 512 HE1 PHE 96 HE1 PHE 96 8.308 2.879 6.790 513 HE2 PHE 96 HE2 PHE 96 9.650 2.755 2.747 514 HZ PHE 96 HZ PHE 96 7.814 2.886 4.380 515 H ASP 97 H ASP 97 13.596 4.640 8.902 516 HA ASP 97 HA ASP 97 16.372 3.886 9.314 517 1HB ASP 97 1HB ASP 97 14.326 5.280 11.035 518 2HB ASP 97 2HB ASP 97 15.898 4.790 11.657 519 H TYR 98 H TYR 98 16.697 2.900 11.654 520 HA TYR 98 HA TYR 98 16.510 1.129 13.059 521 1HB TYR 98 1HB TYR 98 14.134 1.793 13.305 522 2HB TYR 98 2HB TYR 98 13.723 0.779 11.929 523 HD1 TYR 98 HD1 TYR 98 12.529 -1.056 12.616 524 HD2 TYR 98 HD2 TYR 98 15.818 0.232 14.985 525 HE1 TYR 98 HE1 TYR 98 12.190 -2.971 14.118 526 HE2 TYR 98 HE2 TYR 98 15.489 -1.682 16.492 527 HH TYR 98 HH TYR 98 13.839 -3.251 17.141 528 H GLN 99 H GLN 99 16.069 0.890 9.702 529 HA GLN 99 HA GLN 99 16.501 -1.951 9.515 530 1HB GLN 99 1HB GLN 99 16.731 0.243 7.447 531 2HB GLN 99 2HB GLN 99 16.853 -1.476 7.103 532 1HG GLN 99 1HG GLN 99 14.559 -1.799 7.832 533 2HG GLN 99 2HG GLN 99 14.430 -0.083 8.220 534 1HE2 GLN 99 1HE2 GLN 99 16.023 0.715 5.898 535 2HE2 GLN 99 2HE2 GLN 99 14.983 0.533 4.529 536 H MET 100 H MET 100 18.458 -2.757 8.272 537 HA MET 100 HA MET 100 20.821 -1.563 9.511 538 1HB MET 100 1HB MET 100 20.422 -4.216 8.132 539 2HB MET 100 2HB MET 100 21.955 -3.665 8.794 540 1HG MET 100 1HG MET 100 20.918 -3.531 11.017 541 2HG MET 100 2HG MET 100 19.417 -4.154 10.335 542 1HE MET 100 1HE MET 100 19.363 -6.104 12.124 543 2HE MET 100 2HE MET 100 20.846 -5.468 12.837 544 3HE MET 100 3HE MET 100 20.727 -7.180 12.435 545 H THR 101 H THR 101 19.193 -1.349 6.666 546 HA THR 101 HA THR 101 21.578 -0.264 5.362 547 HB THR 101 HB THR 101 21.146 -2.246 4.413 548 HG1 THR 101 HG1 THR 101 21.824 -0.793 2.925 549 1HG2 THR 101 1HG2 THR 101 18.361 -1.243 3.894 550 2HG2 THR 101 2HG2 THR 101 18.813 -2.553 4.984 551 3HG2 THR 101 3HG2 THR 101 19.067 -2.725 3.246 552 HA PRO 102 HA PRO 102 18.964 3.311 5.011 553 1HB PRO 102 1HB PRO 102 20.742 4.341 2.946 554 2HB PRO 102 2HB PRO 102 20.534 4.894 4.609 555 1HG PRO 102 1HG PRO 102 22.788 3.661 3.736 556 2HG PRO 102 2HG PRO 102 22.206 3.543 5.406 557 1HD PRO 102 1HD PRO 102 21.922 1.584 3.157 558 2HD PRO 102 2HD PRO 102 22.313 1.287 4.864 559 H THR 103 H THR 103 17.657 1.426 3.744 560 HA THR 103 HA THR 103 17.408 1.811 0.934 561 HB THR 103 HB THR 103 15.369 0.892 2.725 562 HG1 THR 103 HG1 THR 103 17.776 -0.337 1.795 563 1HG2 THR 103 1HG2 THR 103 14.765 1.190 0.381 564 2HG2 THR 103 2HG2 THR 103 14.847 -0.519 0.809 565 3HG2 THR 103 3HG2 THR 103 16.159 0.225 -0.105 566 H LYS 104 H LYS 104 16.227 3.239 -0.182 567 HA LYS 104 HA LYS 104 14.381 4.974 1.327 568 1HB LYS 104 1HB LYS 104 16.346 6.093 0.246 569 2HB LYS 104 2HB LYS 104 15.748 5.540 -1.311 570 1HG LYS 104 1HG LYS 104 13.541 6.765 -0.393 571 2HG LYS 104 2HG LYS 104 14.782 7.725 0.417 572 1HD LYS 104 1HD LYS 104 14.224 8.714 -1.723 573 2HD LYS 104 2HD LYS 104 15.880 8.099 -1.752 574 1HE LYS 104 1HE LYS 104 15.066 6.054 -2.871 575 2HE LYS 104 2HE LYS 104 13.440 6.738 -2.893 576 1HZ LYS 104 1HZ LYS 104 14.721 7.003 -4.994 577 2HZ LYS 104 2HZ LYS 104 15.777 8.047 -4.168 578 3HZ LYS 104 3HZ LYS 104 14.139 8.456 -4.343 579 H VAL 105 H VAL 105 12.270 4.875 0.769 580 HA VAL 105 HA VAL 105 11.636 3.436 -1.684 581 HB VAL 105 HB VAL 105 9.511 3.310 -0.966 582 1HG1 VAL 105 1HG1 VAL 105 9.948 1.746 0.870 583 2HG1 VAL 105 2HG1 VAL 105 11.574 2.409 1.040 584 3HG1 VAL 105 3HG1 VAL 105 11.118 1.558 -0.437 585 1HG2 VAL 105 1HG2 VAL 105 10.479 4.696 1.521 586 2HG2 VAL 105 2HG2 VAL 105 8.907 3.924 1.315 587 3HG2 VAL 105 3HG2 VAL 105 9.330 5.337 0.347 588 H LYS 106 H LYS 106 9.955 4.216 -3.003 589 HA LYS 106 HA LYS 106 9.348 7.066 -2.709 590 1HB LYS 106 1HB LYS 106 10.961 6.895 -4.522 591 2HB LYS 106 2HB LYS 106 10.012 5.625 -5.287 592 1HG LYS 106 1HG LYS 106 8.272 7.135 -5.840 593 2HG LYS 106 2HG LYS 106 8.954 8.399 -4.819 594 1HD LYS 106 1HD LYS 106 9.399 8.861 -7.163 595 2HD LYS 106 2HD LYS 106 10.901 8.538 -6.298 596 1HE LYS 106 1HE LYS 106 10.934 6.270 -7.177 597 2HE LYS 106 2HE LYS 106 9.398 6.552 -7.996 598 1HZ LYS 106 1HZ LYS 106 11.316 6.777 -9.484 599 2HZ LYS 106 2HZ LYS 106 11.906 8.051 -8.531 600 3HZ LYS 106 3HZ LYS 106 10.436 8.223 -9.358 601 H VAL 107 H VAL 107 7.279 7.202 -2.271 602 HA VAL 107 HA VAL 107 5.577 5.002 -3.190 603 HB VAL 107 HB VAL 107 3.945 6.027 -1.770 604 1HG1 VAL 107 1HG1 VAL 107 5.068 3.900 -1.367 605 2HG1 VAL 107 2HG1 VAL 107 4.947 4.808 0.141 606 3HG1 VAL 107 3HG1 VAL 107 6.482 4.738 -0.728 607 1HG2 VAL 107 1HG2 VAL 107 6.408 7.274 -0.564 608 2HG2 VAL 107 2HG2 VAL 107 4.771 7.290 0.090 609 3HG2 VAL 107 3HG2 VAL 107 5.130 8.154 -1.405 610 H HIS 108 H HIS 108 3.857 5.248 -4.404 611 HA HIS 108 HA HIS 108 2.665 7.910 -4.519 612 1HB HIS 108 1HB HIS 108 3.865 7.465 -6.690 613 2HB HIS 108 2HB HIS 108 2.817 6.070 -6.922 614 HD1 HIS 108 HD1 HIS 108 2.617 8.006 -9.105 615 HD2 HIS 108 HD2 HIS 108 0.401 8.487 -5.610 616 HE1 HIS 108 HE1 HIS 108 0.681 9.498 -9.718 617 HE2 HIS 108 HE2 HIS 108 -0.733 9.636 -7.633 618 H MET 109 H MET 109 1.097 7.457 -3.169 619 HA MET 109 HA MET 109 -0.614 5.142 -3.668 620 1HB MET 109 1HB MET 109 -1.809 6.085 -1.582 621 2HB MET 109 2HB MET 109 -0.238 5.334 -1.357 622 1HG MET 109 1HG MET 109 -0.543 8.298 -1.697 623 2HG MET 109 2HG MET 109 -0.710 7.513 -0.128 624 1HE MET 109 1HE MET 109 1.425 5.168 -0.357 625 2HE MET 109 2HE MET 109 1.247 6.185 1.072 626 3HE MET 109 3HE MET 109 2.842 5.935 0.357 627 H LYS 110 H LYS 110 -2.668 5.380 -4.504 628 HA LYS 110 HA LYS 110 -3.485 8.108 -5.146 629 1HB LYS 110 1HB LYS 110 -3.848 7.410 -7.549 630 2HB LYS 110 2HB LYS 110 -2.175 7.646 -7.065 631 1HG LYS 110 1HG LYS 110 -1.728 5.362 -7.065 632 2HG LYS 110 2HG LYS 110 -3.436 4.934 -7.009 633 1HD LYS 110 1HD LYS 110 -2.370 4.550 -9.222 634 2HD LYS 110 2HD LYS 110 -3.755 5.638 -9.271 635 1HE LYS 110 1HE LYS 110 -2.296 7.559 -9.380 636 2HE LYS 110 2HE LYS 110 -0.877 6.530 -9.183 637 1HZ LYS 110 1HZ LYS 110 -1.011 5.772 -11.311 638 2HZ LYS 110 2HZ LYS 110 -1.659 7.323 -11.538 639 3HZ LYS 110 3HZ LYS 110 -2.690 5.980 -11.418 640 H LYS 111 H LYS 111 -5.598 8.352 -4.954 641 HA LYS 111 HA LYS 111 -7.434 6.415 -4.454 642 1HB LYS 111 1HB LYS 111 -7.860 8.703 -4.121 643 2HB LYS 111 2HB LYS 111 -7.602 9.078 -5.815 644 1HG LYS 111 1HG LYS 111 -9.623 7.739 -6.369 645 2HG LYS 111 2HG LYS 111 -9.915 7.553 -4.637 646 1HD LYS 111 1HD LYS 111 -10.309 9.842 -4.344 647 2HD LYS 111 2HD LYS 111 -9.574 10.253 -5.897 648 1HE LYS 111 1HE LYS 111 -12.112 8.652 -5.581 649 2HE LYS 111 2HE LYS 111 -12.071 10.391 -5.863 650 1HZ LYS 111 1HZ LYS 111 -12.381 8.941 -7.883 651 2HZ LYS 111 2HZ LYS 111 -10.766 8.459 -7.693 652 3HZ LYS 111 3HZ LYS 111 -11.133 10.086 -7.979 653 H ALA 112 H ALA 112 -8.033 4.750 -5.572 654 HA ALA 112 HA ALA 112 -7.200 4.241 -8.208 655 1HB ALA 112 1HB ALA 112 -7.519 2.492 -6.539 656 2HB ALA 112 2HB ALA 112 -8.455 2.171 -7.999 657 3HB ALA 112 3HB ALA 112 -9.258 2.789 -6.553 658 H LEU 113 H LEU 113 -8.369 4.074 -10.116 659 HA LEU 113 HA LEU 113 -10.468 5.903 -10.549 660 1HB LEU 113 1HB LEU 113 -10.542 5.097 -12.801 661 2HB LEU 113 2HB LEU 113 -8.867 5.174 -12.299 662 HG LEU 113 HG LEU 113 -10.446 2.603 -12.291 663 1HD1 LEU 113 1HD1 LEU 113 -10.425 3.503 -14.554 664 2HD1 LEU 113 2HD1 LEU 113 -9.374 2.092 -14.425 665 3HD1 LEU 113 3HD1 LEU 113 -8.675 3.710 -14.464 666 1HD2 LEU 113 1HD2 LEU 113 -7.479 3.160 -12.305 667 2HD2 LEU 113 2HD2 LEU 113 -8.239 1.568 -12.299 668 3HD2 LEU 113 3HD2 LEU 113 -8.421 2.636 -10.908 669 H SER 114 H SER 114 -10.539 2.852 -9.174 670 HA SER 114 HA SER 114 -13.117 2.025 -10.121 671 1HB SER 114 1HB SER 114 -12.756 0.397 -8.081 672 2HB SER 114 2HB SER 114 -11.800 0.211 -9.551 673 HG SER 114 HG SER 114 -11.043 1.163 -7.029 674 H GLY 115 H GLY 115 -12.152 4.389 -7.987 675 1HA GLY 115 1HA GLY 115 -13.909 5.779 -7.045 676 2HA GLY 115 2HA GLY 115 -14.795 4.308 -6.675 677 H ASP 116 H ASP 116 -14.864 3.928 -4.569 678 HA ASP 116 HA ASP 116 -12.998 5.097 -2.754 679 1HB ASP 116 1HB ASP 116 -15.355 4.682 -2.133 680 2HB ASP 116 2HB ASP 116 -15.054 2.948 -2.206 681 H SER 117 H SER 117 -11.040 4.360 -3.428 682 HA SER 117 HA SER 117 -9.967 2.100 -2.147 683 1HB SER 117 1HB SER 117 -9.263 0.971 -4.357 684 2HB SER 117 2HB SER 117 -10.886 0.666 -3.739 685 HG SER 117 HG SER 117 -11.245 2.731 -5.191 686 H TYR 118 H TYR 118 -7.671 2.037 -2.465 687 HA TYR 118 HA TYR 118 -6.547 4.253 -4.014 688 1HB TYR 118 1HB TYR 118 -5.880 3.910 -1.079 689 2HB TYR 118 2HB TYR 118 -5.349 5.199 -2.161 690 HD1 TYR 118 HD1 TYR 118 -7.946 4.035 0.038 691 HD2 TYR 118 HD2 TYR 118 -6.962 6.881 -2.942 692 HE1 TYR 118 HE1 TYR 118 -9.860 5.417 0.749 693 HE2 TYR 118 HE2 TYR 118 -8.878 8.283 -2.256 694 HH TYR 118 HH TYR 118 -11.072 7.973 -1.076 695 H TRP 119 H TRP 119 -4.509 3.864 -4.785 696 HA TRP 119 HA TRP 119 -3.538 1.154 -4.482 697 1HB TRP 119 1HB TRP 119 -2.707 3.489 -6.206 698 2HB TRP 119 2HB TRP 119 -1.871 1.930 -6.218 699 HD1 TRP 119 HD1 TRP 119 -5.470 3.273 -6.889 700 HE1 TRP 119 HE1 TRP 119 -6.441 1.842 -8.822 701 HE3 TRP 119 HE3 TRP 119 -1.575 0.061 -7.566 702 HZ2 TRP 119 HZ2 TRP 119 -5.631 -0.365 -10.405 703 HZ3 TRP 119 HZ3 TRP 119 -1.724 -1.651 -9.274 704 HH2 TRP 119 HH2 TRP 119 -3.711 -1.875 -10.688 705 H VAL 120 H VAL 120 -1.259 0.797 -4.291 706 HA VAL 120 HA VAL 120 0.283 2.848 -2.861 707 HB VAL 120 HB VAL 120 0.233 0.017 -2.327 708 1HG1 VAL 120 1HG1 VAL 120 1.643 2.340 -1.013 709 2HG1 VAL 120 2HG1 VAL 120 2.407 1.063 -1.960 710 3HG1 VAL 120 3HG1 VAL 120 1.635 0.678 -0.421 711 1HG2 VAL 120 1HG2 VAL 120 -0.929 2.321 -0.785 712 2HG2 VAL 120 2HG2 VAL 120 -0.770 0.668 -0.189 713 3HG2 VAL 120 3HG2 VAL 120 -1.824 1.013 -1.561 714 H PHE 121 H PHE 121 1.506 3.301 -4.683 715 HA PHE 121 HA PHE 121 3.038 1.117 -5.902 716 1HB PHE 121 1HB PHE 121 2.825 4.062 -6.560 717 2HB PHE 121 2HB PHE 121 3.942 2.967 -7.361 718 HD1 PHE 121 HD1 PHE 121 0.451 3.954 -6.972 719 HD2 PHE 121 HD2 PHE 121 3.152 1.314 -8.927 720 HE1 PHE 121 HE1 PHE 121 -1.301 3.375 -8.600 721 HE2 PHE 121 HE2 PHE 121 1.407 0.729 -10.559 722 HZ PHE 121 HZ PHE 121 -0.823 1.761 -10.398 723 H VAL 122 H VAL 122 5.063 0.660 -5.234 724 HA VAL 122 HA VAL 122 6.483 2.693 -3.642 725 HB VAL 122 HB VAL 122 6.479 -0.143 -3.162 726 1HG1 VAL 122 1HG1 VAL 122 7.587 2.223 -1.652 727 2HG1 VAL 122 2HG1 VAL 122 8.526 0.995 -2.499 728 3HG1 VAL 122 3HG1 VAL 122 7.578 0.554 -1.080 729 1HG2 VAL 122 1HG2 VAL 122 5.005 2.069 -1.761 730 2HG2 VAL 122 2HG2 VAL 122 5.160 0.410 -1.183 731 3HG2 VAL 122 3HG2 VAL 122 4.288 0.744 -2.678 732 H LYS 123 H LYS 123 8.534 3.032 -4.254 733 HA LYS 123 HA LYS 123 9.897 0.920 -5.758 734 1HB LYS 123 1HB LYS 123 10.241 3.915 -5.955 735 2HB LYS 123 2HB LYS 123 11.299 2.750 -6.741 736 1HG LYS 123 1HG LYS 123 8.348 3.089 -7.253 737 2HG LYS 123 2HG LYS 123 9.661 3.637 -8.302 738 1HD LYS 123 1HD LYS 123 10.377 1.348 -8.653 739 2HD LYS 123 2HD LYS 123 9.152 0.765 -7.525 740 1HE LYS 123 1HE LYS 123 7.404 1.676 -9.024 741 2HE LYS 123 2HE LYS 123 8.666 2.135 -10.167 742 1HZ LYS 123 1HZ LYS 123 9.287 -0.191 -10.369 743 2HZ LYS 123 2HZ LYS 123 7.653 0.025 -10.767 744 3HZ LYS 123 3HZ LYS 123 8.077 -0.635 -9.263 745 H ARG 124 H ARG 124 11.292 -0.085 -4.455 746 HA ARG 124 HA ARG 124 12.446 1.412 -2.209 747 1HB ARG 124 1HB ARG 124 12.444 -1.582 -2.631 748 2HB ARG 124 2HB ARG 124 12.806 -0.714 -1.146 749 1HG ARG 124 1HG ARG 124 10.495 0.023 -0.993 750 2HG ARG 124 2HG ARG 124 10.126 -0.795 -2.512 751 1HD ARG 124 1HD ARG 124 9.391 -2.194 -0.723 752 2HD ARG 124 2HD ARG 124 10.814 -2.937 -1.448 753 HE ARG 124 HE ARG 124 12.079 -1.968 0.468 754 1HH1 ARG 124 1HH1 ARG 124 8.646 -2.616 0.718 755 2HH1 ARG 124 2HH1 ARG 124 8.673 -2.770 2.454 756 1HH2 ARG 124 1HH2 ARG 124 12.125 -2.176 2.747 757 2HH2 ARG 124 2HH2 ARG 124 10.650 -2.532 3.604 758 H VAL 125 H VAL 125 14.402 2.243 -2.661 759 HA VAL 125 HA VAL 125 16.260 0.558 -4.201 760 HB VAL 125 HB VAL 125 17.388 2.534 -4.736 761 1HG1 VAL 125 1HG1 VAL 125 14.552 2.137 -5.682 762 2HG1 VAL 125 2HG1 VAL 125 15.987 1.314 -6.295 763 3HG1 VAL 125 3HG1 VAL 125 15.795 3.051 -6.537 764 1HG2 VAL 125 1HG2 VAL 125 16.189 4.626 -4.667 765 2HG2 VAL 125 2HG2 VAL 125 16.423 4.010 -3.031 766 3HG2 VAL 125 3HG2 VAL 125 14.850 3.861 -3.813 767 H2 HC4 169 H2 HC4 169 3.542 -8.839 18.878 768 H3 HC4 169 H3 HC4 169 4.912 -9.755 17.471 769 H2' HC4 169 H2' HC4 169 5.817 -10.521 15.366 770 H3' HC4 169 H3' HC4 169 5.711 -10.888 12.940 771 H5' HC4 169 H5' HC4 169 2.052 -8.717 12.788 772 H6' HC4 169 H6' HC4 169 2.126 -8.431 15.217 773 'HO4 HC4 169 'HO4 HC4 169 3.640 -9.142 10.929 Start of MODEL 19 1 H LEU 26 H LEU 26 17.059 -1.904 -9.870 2 HA LEU 26 HA LEU 26 15.717 -1.050 -8.132 3 1HB LEU 26 1HB LEU 26 15.472 0.029 -10.276 4 2HB LEU 26 2HB LEU 26 14.303 -1.170 -10.792 5 HG LEU 26 HG LEU 26 12.754 -0.353 -9.018 6 1HD1 LEU 26 1HD1 LEU 26 14.358 0.622 -7.490 7 2HD1 LEU 26 2HD1 LEU 26 13.199 1.844 -8.013 8 3HD1 LEU 26 3HD1 LEU 26 14.822 1.818 -8.702 9 1HD2 LEU 26 1HD2 LEU 26 13.687 1.687 -11.029 10 2HD2 LEU 26 2HD2 LEU 26 12.129 1.692 -10.204 11 3HD2 LEU 26 3HD2 LEU 26 12.532 0.385 -11.317 12 H ALA 27 H ALA 27 14.318 -1.520 -6.565 13 HA ALA 27 HA ALA 27 12.439 -3.722 -6.936 14 1HB ALA 27 1HB ALA 27 12.049 -3.560 -4.539 15 2HB ALA 27 2HB ALA 27 13.039 -2.100 -4.459 16 3HB ALA 27 3HB ALA 27 13.778 -3.647 -4.875 17 H PHE 28 H PHE 28 10.807 -2.976 -8.177 18 HA PHE 28 HA PHE 28 9.421 -0.543 -7.291 19 1HB PHE 28 1HB PHE 28 8.401 -0.490 -9.537 20 2HB PHE 28 2HB PHE 28 10.157 -0.444 -9.620 21 HD1 PHE 28 HD1 PHE 28 11.400 -2.517 -10.280 22 HD2 PHE 28 HD2 PHE 28 7.166 -2.206 -10.579 23 HE1 PHE 28 HE1 PHE 28 11.373 -4.434 -11.818 24 HE2 PHE 28 HE2 PHE 28 7.133 -4.121 -12.125 25 HZ PHE 28 HZ PHE 28 9.237 -5.215 -12.774 26 H GLY 29 H GLY 29 7.264 -0.591 -6.799 27 1HA GLY 29 1HA GLY 29 5.999 -3.258 -6.764 28 2HA GLY 29 2HA GLY 29 5.917 -2.162 -5.393 29 H ALA 30 H ALA 30 3.899 -3.385 -7.372 30 HA ALA 30 HA ALA 30 2.344 -0.900 -7.414 31 1HB ALA 30 1HB ALA 30 2.542 -2.798 -9.764 32 2HB ALA 30 2HB ALA 30 3.196 -1.161 -9.694 33 3HB ALA 30 3HB ALA 30 1.451 -1.418 -9.644 34 H ILE 31 H ILE 31 0.934 -1.509 -5.847 35 HA ILE 31 HA ILE 31 -0.828 -3.739 -6.503 36 HB ILE 31 HB ILE 31 0.518 -4.648 -5.122 37 1HG1 ILE 31 1HG1 ILE 31 -1.986 -4.754 -4.664 38 2HG1 ILE 31 2HG1 ILE 31 -0.853 -5.508 -3.571 39 1HG2 ILE 31 1HG2 ILE 31 1.704 -2.741 -4.240 40 2HG2 ILE 31 2HG2 ILE 31 1.145 -3.773 -2.924 41 3HG2 ILE 31 3HG2 ILE 31 0.287 -2.278 -3.297 42 1HD1 ILE 31 1HD1 ILE 31 -2.615 -4.368 -2.347 43 2HD1 ILE 31 2HD1 ILE 31 -2.204 -2.848 -3.143 44 3HD1 ILE 31 3HD1 ILE 31 -1.052 -3.608 -2.044 45 H GLN 32 H GLN 32 -2.963 -3.401 -5.982 46 HA GLN 32 HA GLN 32 -3.484 -0.733 -4.845 47 1HB GLN 32 1HB GLN 32 -5.349 -0.401 -6.193 48 2HB GLN 32 2HB GLN 32 -4.153 -1.088 -7.276 49 1HG GLN 32 1HG GLN 32 -5.304 -3.017 -7.560 50 2HG GLN 32 2HG GLN 32 -6.085 -2.933 -5.975 51 1HE2 GLN 32 1HE2 GLN 32 -7.848 -1.441 -5.728 52 2HE2 GLN 32 2HE2 GLN 32 -8.785 -0.964 -7.100 53 H LEU 33 H LEU 33 -4.983 -0.458 -3.329 54 HA LEU 33 HA LEU 33 -6.440 -2.844 -2.402 55 1HB LEU 33 1HB LEU 33 -5.952 -2.187 -0.074 56 2HB LEU 33 2HB LEU 33 -4.552 -2.727 -0.962 57 HG LEU 33 HG LEU 33 -4.058 -0.217 -1.333 58 1HD1 LEU 33 1HD1 LEU 33 -4.862 1.262 0.433 59 2HD1 LEU 33 2HD1 LEU 33 -5.904 -0.025 1.042 60 3HD1 LEU 33 3HD1 LEU 33 -6.192 0.661 -0.557 61 1HD2 LEU 33 1HD2 LEU 33 -2.693 -1.681 0.037 62 2HD2 LEU 33 2HD2 LEU 33 -3.799 -1.470 1.395 63 3HD2 LEU 33 3HD2 LEU 33 -2.864 -0.100 0.800 64 H ASP 34 H ASP 34 -8.227 -2.289 -0.949 65 HA ASP 34 HA ASP 34 -9.520 0.136 -1.934 66 1HB ASP 34 1HB ASP 34 -11.562 -0.727 -0.806 67 2HB ASP 34 2HB ASP 34 -10.914 -1.816 -2.024 68 H GLY 35 H GLY 35 -10.495 1.668 -0.574 69 1HA GLY 35 1HA GLY 35 -8.774 2.468 1.561 70 2HA GLY 35 2HA GLY 35 -10.263 3.268 1.072 71 H ASP 36 H ASP 36 -11.319 0.340 1.418 72 HA ASP 36 HA ASP 36 -12.465 0.750 3.996 73 1HB ASP 36 1HB ASP 36 -13.741 -0.313 2.229 74 2HB ASP 36 2HB ASP 36 -12.537 -1.588 2.075 75 H GLY 37 H GLY 37 -9.926 -1.329 2.643 76 1HA GLY 37 1HA GLY 37 -8.049 -1.202 4.444 77 2HA GLY 37 2HA GLY 37 -9.206 -2.124 5.383 78 H ASN 38 H ASN 38 -9.523 -3.048 2.189 79 HA ASN 38 HA ASN 38 -7.938 -5.479 2.773 80 1HB ASN 38 1HB ASN 38 -10.177 -5.267 0.765 81 2HB ASN 38 2HB ASN 38 -9.498 -6.720 1.489 82 1HD2 ASN 38 1HD2 ASN 38 -11.478 -3.909 2.026 83 2HD2 ASN 38 2HD2 ASN 38 -12.316 -4.515 3.419 84 H ILE 39 H ILE 39 -6.890 -6.551 1.014 85 HA ILE 39 HA ILE 39 -5.812 -4.721 -0.975 86 HB ILE 39 HB ILE 39 -5.415 -7.529 -0.459 87 1HG1 ILE 39 1HG1 ILE 39 -4.689 -6.093 1.360 88 2HG1 ILE 39 2HG1 ILE 39 -3.329 -6.817 0.514 89 1HG2 ILE 39 1HG2 ILE 39 -3.977 -5.603 -2.292 90 2HG2 ILE 39 2HG2 ILE 39 -4.946 -6.990 -2.790 91 3HG2 ILE 39 3HG2 ILE 39 -3.441 -7.241 -1.906 92 1HD1 ILE 39 1HD1 ILE 39 -2.945 -4.715 -0.662 93 2HD1 ILE 39 2HD1 ILE 39 -2.884 -4.501 1.088 94 3HD1 ILE 39 3HD1 ILE 39 -4.312 -3.990 0.185 95 H LEU 40 H LEU 40 -6.216 -4.864 -3.203 96 HA LEU 40 HA LEU 40 -8.521 -6.582 -3.860 97 1HB LEU 40 1HB LEU 40 -8.909 -4.141 -4.041 98 2HB LEU 40 2HB LEU 40 -7.644 -4.056 -5.255 99 HG LEU 40 HG LEU 40 -8.942 -5.448 -6.769 100 1HD1 LEU 40 1HD1 LEU 40 -10.033 -6.873 -5.120 101 2HD1 LEU 40 2HD1 LEU 40 -11.214 -6.152 -6.214 102 3HD1 LEU 40 3HD1 LEU 40 -11.018 -5.512 -4.582 103 1HD2 LEU 40 1HD2 LEU 40 -10.823 -3.936 -7.187 104 2HD2 LEU 40 2HD2 LEU 40 -9.337 -3.051 -6.843 105 3HD2 LEU 40 3HD2 LEU 40 -10.580 -3.201 -5.601 106 H GLN 41 H GLN 41 -5.598 -5.188 -5.397 107 HA GLN 41 HA GLN 41 -5.106 -7.818 -6.559 108 1HB GLN 41 1HB GLN 41 -4.874 -7.071 -8.849 109 2HB GLN 41 2HB GLN 41 -6.492 -6.713 -8.280 110 1HG GLN 41 1HG GLN 41 -5.995 -4.399 -8.068 111 2HG GLN 41 2HG GLN 41 -4.281 -4.685 -8.368 112 1HE2 GLN 41 1HE2 GLN 41 -6.231 -2.984 -9.779 113 2HE2 GLN 41 2HE2 GLN 41 -6.180 -3.502 -11.430 114 H TYR 42 H TYR 42 -3.019 -8.266 -6.950 115 HA TYR 42 HA TYR 42 -1.077 -6.135 -6.365 116 1HB TYR 42 1HB TYR 42 -0.929 -7.954 -4.743 117 2HB TYR 42 2HB TYR 42 -0.807 -9.138 -6.038 118 HD1 TYR 42 HD1 TYR 42 1.289 -9.734 -6.908 119 HD2 TYR 42 HD2 TYR 42 0.955 -6.244 -4.507 120 HE1 TYR 42 HE1 TYR 42 3.738 -9.531 -6.878 121 HE2 TYR 42 HE2 TYR 42 3.403 -6.024 -4.471 122 HH TYR 42 HH TYR 42 5.436 -7.717 -6.549 123 H ASN 43 H ASN 43 0.002 -5.431 -8.058 124 HA ASN 43 HA ASN 43 -0.026 -7.021 -10.508 125 1HB ASN 43 1HB ASN 43 0.870 -4.148 -10.147 126 2HB ASN 43 2HB ASN 43 0.547 -4.970 -11.668 127 1HD2 ASN 43 1HD2 ASN 43 -1.033 -3.585 -12.375 128 2HD2 ASN 43 2HD2 ASN 43 -2.576 -3.432 -11.602 129 H ALA 44 H ALA 44 2.017 -7.041 -11.791 130 HA ALA 44 HA ALA 44 4.173 -7.685 -12.021 131 1HB ALA 44 1HB ALA 44 4.839 -5.632 -10.862 132 2HB ALA 44 2HB ALA 44 5.902 -6.983 -10.468 133 3HB ALA 44 3HB ALA 44 4.675 -6.462 -9.313 134 H ALA 45 H ALA 45 5.810 -9.255 -11.013 135 HA ALA 45 HA ALA 45 4.365 -11.141 -9.270 136 1HB ALA 45 1HB ALA 45 5.139 -13.003 -10.597 137 2HB ALA 45 2HB ALA 45 6.023 -11.913 -11.663 138 3HB ALA 45 3HB ALA 45 4.261 -11.870 -11.623 139 H GLU 46 H GLU 46 5.469 -11.900 -7.601 140 HA GLU 46 HA GLU 46 8.311 -11.236 -7.406 141 1HB GLU 46 1HB GLU 46 8.011 -11.864 -4.982 142 2HB GLU 46 2HB GLU 46 7.091 -10.466 -5.516 143 1HG GLU 46 1HG GLU 46 5.073 -11.759 -5.613 144 2HG GLU 46 2HG GLU 46 5.962 -13.243 -5.273 145 H GLY 47 H GLY 47 9.455 -12.772 -8.420 146 1HA GLY 47 1HA GLY 47 9.750 -15.300 -7.127 147 2HA GLY 47 2HA GLY 47 8.927 -15.465 -8.673 148 H ASP 48 H ASP 48 11.574 -13.346 -7.632 149 HA ASP 48 HA ASP 48 13.451 -14.751 -9.322 150 1HB ASP 48 1HB ASP 48 12.269 -13.196 -10.871 151 2HB ASP 48 2HB ASP 48 12.820 -11.848 -9.885 152 H ILE 49 H ILE 49 15.142 -14.943 -8.082 153 HA ILE 49 HA ILE 49 16.691 -14.632 -6.463 154 HB ILE 49 HB ILE 49 16.420 -11.829 -7.037 155 1HG1 ILE 49 1HG1 ILE 49 17.934 -13.966 -8.544 156 2HG1 ILE 49 2HG1 ILE 49 16.521 -13.103 -9.141 157 1HG2 ILE 49 1HG2 ILE 49 18.829 -11.905 -6.512 158 2HG2 ILE 49 2HG2 ILE 49 18.685 -13.623 -6.140 159 3HG2 ILE 49 3HG2 ILE 49 17.846 -12.431 -5.146 160 1HD1 ILE 49 1HD1 ILE 49 19.192 -11.883 -8.479 161 2HD1 ILE 49 2HD1 ILE 49 17.776 -11.006 -9.056 162 3HD1 ILE 49 3HD1 ILE 49 18.554 -12.203 -10.093 163 H THR 50 H THR 50 14.292 -14.964 -5.423 164 HA THR 50 HA THR 50 14.045 -12.958 -3.291 165 HB THR 50 HB THR 50 12.106 -14.250 -2.766 166 HG1 THR 50 HG1 THR 50 11.334 -15.554 -4.397 167 1HG2 THR 50 1HG2 THR 50 10.842 -13.077 -4.501 168 2HG2 THR 50 2HG2 THR 50 12.349 -12.736 -5.354 169 3HG2 THR 50 3HG2 THR 50 12.064 -12.044 -3.757 170 H GLY 51 H GLY 51 13.356 -13.958 -1.115 171 1HA GLY 51 1HA GLY 51 14.926 -16.419 -0.638 172 2HA GLY 51 2HA GLY 51 15.052 -15.023 0.426 173 H ARG 52 H ARG 52 12.644 -14.222 0.971 174 HA ARG 52 HA ARG 52 11.065 -16.571 1.738 175 1HB ARG 52 1HB ARG 52 11.837 -14.229 3.477 176 2HB ARG 52 2HB ARG 52 10.502 -15.307 3.869 177 1HG ARG 52 1HG ARG 52 12.075 -17.205 3.864 178 2HG ARG 52 2HG ARG 52 13.396 -16.071 3.567 179 1HD ARG 52 1HD ARG 52 13.202 -15.105 5.675 180 2HD ARG 52 2HD ARG 52 11.557 -15.698 5.900 181 HE ARG 52 HE ARG 52 12.889 -17.994 5.829 182 1HH1 ARG 52 1HH1 ARG 52 13.677 -15.011 7.506 183 2HH1 ARG 52 2HH1 ARG 52 14.428 -15.824 8.849 184 1HH2 ARG 52 1HH2 ARG 52 13.918 -19.052 7.594 185 2HH2 ARG 52 2HH2 ARG 52 14.584 -18.092 8.886 186 H ASP 53 H ASP 53 8.815 -16.126 2.137 187 HA ASP 53 HA ASP 53 7.801 -14.321 0.125 188 1HB ASP 53 1HB ASP 53 6.384 -16.242 1.980 189 2HB ASP 53 2HB ASP 53 5.589 -15.308 0.719 190 HA PRO 54 HA PRO 54 6.862 -11.179 3.182 191 1HB PRO 54 1HB PRO 54 6.236 -9.423 0.997 192 2HB PRO 54 2HB PRO 54 7.666 -9.405 2.029 193 1HG PRO 54 1HG PRO 54 7.687 -10.037 -0.653 194 2HG PRO 54 2HG PRO 54 8.922 -10.549 0.511 195 1HD PRO 54 1HD PRO 54 6.601 -12.083 -0.593 196 2HD PRO 54 2HD PRO 54 8.255 -12.632 -0.239 197 H LYS 55 H LYS 55 4.954 -12.644 0.789 198 HA LYS 55 HA LYS 55 2.740 -12.862 0.401 199 1HB LYS 55 1HB LYS 55 2.576 -11.928 3.269 200 2HB LYS 55 2HB LYS 55 1.192 -12.500 2.345 201 1HG LYS 55 1HG LYS 55 2.170 -14.676 2.112 202 2HG LYS 55 2HG LYS 55 3.668 -14.130 2.870 203 1HD LYS 55 1HD LYS 55 0.973 -14.161 4.222 204 2HD LYS 55 2HD LYS 55 2.193 -15.426 4.388 205 1HE LYS 55 1HE LYS 55 3.762 -13.795 5.308 206 2HE LYS 55 2HE LYS 55 2.554 -12.525 5.130 207 1HZ LYS 55 1HZ LYS 55 2.641 -13.348 7.391 208 2HZ LYS 55 2HZ LYS 55 2.301 -14.923 6.867 209 3HZ LYS 55 3HZ LYS 55 1.136 -13.701 6.693 210 H GLN 56 H GLN 56 3.163 -11.109 -1.107 211 HA GLN 56 HA GLN 56 1.967 -8.538 -0.345 212 1HB GLN 56 1HB GLN 56 3.829 -9.340 -2.578 213 2HB GLN 56 2HB GLN 56 3.055 -7.765 -2.509 214 1HG GLN 56 1HG GLN 56 4.206 -7.178 -0.531 215 2HG GLN 56 2HG GLN 56 4.764 -8.832 -0.286 216 1HE2 GLN 56 1HE2 GLN 56 5.499 -9.322 -3.005 217 2HE2 GLN 56 2HE2 GLN 56 6.918 -8.375 -3.322 218 H VAL 57 H VAL 57 1.672 -11.239 -2.534 219 HA VAL 57 HA VAL 57 -0.258 -10.039 -4.239 220 HB VAL 57 HB VAL 57 0.993 -11.741 -4.931 221 1HG1 VAL 57 1HG1 VAL 57 0.493 -14.076 -4.185 222 2HG1 VAL 57 2HG1 VAL 57 -0.329 -13.385 -2.786 223 3HG1 VAL 57 3HG1 VAL 57 1.396 -13.103 -3.026 224 1HG2 VAL 57 1HG2 VAL 57 -0.779 -13.104 -5.910 225 2HG2 VAL 57 2HG2 VAL 57 -1.122 -11.374 -5.970 226 3HG2 VAL 57 3HG2 VAL 57 -1.926 -12.389 -4.773 227 H ILE 58 H ILE 58 -1.778 -9.084 -3.019 228 HA ILE 58 HA ILE 58 -3.623 -8.768 -1.751 229 HB ILE 58 HB ILE 58 -4.074 -11.583 -2.117 230 1HG1 ILE 58 1HG1 ILE 58 -4.830 -9.237 -3.863 231 2HG1 ILE 58 2HG1 ILE 58 -3.637 -10.467 -4.271 232 1HG2 ILE 58 1HG2 ILE 58 -6.408 -10.874 -1.839 233 2HG2 ILE 58 2HG2 ILE 58 -5.867 -9.219 -1.557 234 3HG2 ILE 58 3HG2 ILE 58 -5.446 -10.492 -0.412 235 1HD1 ILE 58 1HD1 ILE 58 -6.587 -10.903 -3.864 236 2HD1 ILE 58 2HD1 ILE 58 -5.408 -12.168 -4.213 237 3HD1 ILE 58 3HD1 ILE 58 -5.721 -10.903 -5.401 238 H GLY 59 H GLY 59 -2.048 -8.484 -0.103 239 1HA GLY 59 1HA GLY 59 -1.443 -10.594 1.737 240 2HA GLY 59 2HA GLY 59 -1.054 -8.892 1.937 241 H LYS 60 H LYS 60 -4.046 -8.327 1.430 242 HA LYS 60 HA LYS 60 -4.905 -9.033 4.151 243 1HB LYS 60 1HB LYS 60 -4.463 -6.682 4.039 244 2HB LYS 60 2HB LYS 60 -5.366 -6.540 2.533 245 1HG LYS 60 1HG LYS 60 -6.727 -5.658 4.270 246 2HG LYS 60 2HG LYS 60 -7.418 -7.213 3.806 247 1HD LYS 60 1HD LYS 60 -7.472 -7.257 6.137 248 2HD LYS 60 2HD LYS 60 -6.019 -8.176 5.735 249 1HE LYS 60 1HE LYS 60 -5.556 -6.649 7.558 250 2HE LYS 60 2HE LYS 60 -4.665 -6.156 6.117 251 1HZ LYS 60 1HZ LYS 60 -5.687 -4.262 7.236 252 2HZ LYS 60 2HZ LYS 60 -7.227 -4.968 7.053 253 3HZ LYS 60 3HZ LYS 60 -6.351 -4.480 5.688 254 H ASN 61 H ASN 61 -6.268 -10.695 3.843 255 HA ASN 61 HA ASN 61 -8.717 -10.002 2.410 256 1HB ASN 61 1HB ASN 61 -8.957 -12.410 1.706 257 2HB ASN 61 2HB ASN 61 -7.682 -11.524 0.885 258 1HD2 ASN 61 1HD2 ASN 61 -8.466 -14.186 2.866 259 2HD2 ASN 61 2HD2 ASN 61 -6.870 -14.835 3.015 260 H PHE 62 H PHE 62 -9.805 -9.499 4.166 261 HA PHE 62 HA PHE 62 -10.883 -9.615 6.146 262 1HB PHE 62 1HB PHE 62 -12.155 -11.214 4.683 263 2HB PHE 62 2HB PHE 62 -11.265 -12.525 5.452 264 HD1 PHE 62 HD1 PHE 62 -13.273 -9.528 6.424 265 HD2 PHE 62 HD2 PHE 62 -12.254 -13.585 7.217 266 HE1 PHE 62 HE1 PHE 62 -14.928 -9.585 8.242 267 HE2 PHE 62 HE2 PHE 62 -13.904 -13.644 9.040 268 HZ PHE 62 HZ PHE 62 -15.221 -11.606 9.575 269 H PHE 63 H PHE 63 -9.038 -9.226 7.452 270 HA PHE 63 HA PHE 63 -7.974 -11.597 8.839 271 1HB PHE 63 1HB PHE 63 -6.240 -10.109 8.028 272 2HB PHE 63 2HB PHE 63 -7.026 -8.719 8.770 273 HD1 PHE 63 HD1 PHE 63 -6.201 -7.954 10.762 274 HD2 PHE 63 HD2 PHE 63 -5.644 -12.046 9.743 275 HE1 PHE 63 HE1 PHE 63 -4.863 -8.272 12.802 276 HE2 PHE 63 HE2 PHE 63 -4.305 -12.374 11.781 277 HZ PHE 63 HZ PHE 63 -3.911 -10.487 13.311 278 H LYS 64 H LYS 64 -9.011 -8.310 9.575 279 HA LYS 64 HA LYS 64 -10.889 -9.245 11.573 280 1HB LYS 64 1HB LYS 64 -8.628 -7.343 12.261 281 2HB LYS 64 2HB LYS 64 -10.085 -7.505 13.228 282 1HG LYS 64 1HG LYS 64 -9.537 -9.881 13.599 283 2HG LYS 64 2HG LYS 64 -8.039 -9.648 12.697 284 1HD LYS 64 1HD LYS 64 -7.566 -9.516 15.054 285 2HD LYS 64 2HD LYS 64 -7.374 -7.915 14.340 286 1HE LYS 64 1HE LYS 64 -8.541 -7.809 16.489 287 2HE LYS 64 2HE LYS 64 -9.578 -7.271 15.166 288 1HZ LYS 64 1HZ LYS 64 -10.608 -8.823 16.859 289 2HZ LYS 64 2HZ LYS 64 -9.647 -10.053 16.192 290 3HZ LYS 64 3HZ LYS 64 -10.795 -9.263 15.232 291 H ASP 65 H ASP 65 -9.378 -6.104 11.077 292 HA ASP 65 HA ASP 65 -9.828 -4.341 9.762 293 1HB ASP 65 1HB ASP 65 -11.664 -6.263 8.332 294 2HB ASP 65 2HB ASP 65 -11.201 -4.672 7.732 295 H VAL 66 H VAL 66 -12.370 -5.837 11.484 296 HA VAL 66 HA VAL 66 -14.426 -4.001 11.190 297 HB VAL 66 HB VAL 66 -14.637 -5.926 12.310 298 1HG1 VAL 66 1HG1 VAL 66 -12.820 -4.743 14.402 299 2HG1 VAL 66 2HG1 VAL 66 -12.509 -6.174 13.419 300 3HG1 VAL 66 3HG1 VAL 66 -13.803 -6.191 14.614 301 1HG2 VAL 66 1HG2 VAL 66 -15.911 -5.098 14.205 302 2HG2 VAL 66 2HG2 VAL 66 -16.185 -4.138 12.752 303 3HG2 VAL 66 3HG2 VAL 66 -15.139 -3.522 14.031 304 H ALA 67 H ALA 67 -11.600 -3.864 13.317 305 HA ALA 67 HA ALA 67 -11.986 -0.953 13.482 306 1HB ALA 67 1HB ALA 67 -10.898 -1.005 15.691 307 2HB ALA 67 2HB ALA 67 -10.839 -2.766 15.614 308 3HB ALA 67 3HB ALA 67 -12.394 -1.937 15.678 309 HA PRO 68 HA PRO 68 -8.131 -1.582 11.225 310 1HB PRO 68 1HB PRO 68 -8.369 1.223 10.486 311 2HB PRO 68 2HB PRO 68 -8.468 -0.211 9.460 312 1HG PRO 68 1HG PRO 68 -10.611 1.366 10.004 313 2HG PRO 68 2HG PRO 68 -10.744 -0.370 9.677 314 1HD PRO 68 1HD PRO 68 -10.780 1.072 12.304 315 2HD PRO 68 2HD PRO 68 -11.780 -0.290 11.750 316 H CYS 69 H CYS 69 -7.136 -1.680 13.416 317 HA CYS 69 HA CYS 69 -5.380 0.648 13.699 318 1HB CYS 69 1HB CYS 69 -6.655 -0.850 15.997 319 2HB CYS 69 2HB CYS 69 -5.368 0.337 16.167 320 H THR 70 H THR 70 -3.267 0.171 14.271 321 HA THR 70 HA THR 70 -1.343 -0.996 14.021 322 HB THR 70 HB THR 70 -2.698 -3.249 15.145 323 HG1 THR 70 HG1 THR 70 -2.075 -2.050 17.171 324 1HG2 THR 70 1HG2 THR 70 -0.536 -3.459 16.262 325 2HG2 THR 70 2HG2 THR 70 0.037 -2.011 15.434 326 3HG2 THR 70 3HG2 THR 70 -0.350 -3.461 14.508 327 H ASP 71 H ASP 71 -2.664 -0.954 11.757 328 HA ASP 71 HA ASP 71 -2.099 -3.557 10.564 329 1HB ASP 71 1HB ASP 71 -4.507 -3.595 10.934 330 2HB ASP 71 2HB ASP 71 -4.679 -2.020 10.168 331 H SER 72 H SER 72 -0.588 -3.140 9.108 332 HA SER 72 HA SER 72 -0.955 -1.080 7.125 333 1HB SER 72 1HB SER 72 1.433 -0.958 8.987 334 2HB SER 72 2HB SER 72 1.168 0.067 7.578 335 HG SER 72 HG SER 72 -1.008 0.227 9.068 336 HA PRO 73 HA PRO 73 1.450 -4.299 5.119 337 1HB PRO 73 1HB PRO 73 0.620 -3.372 2.586 338 2HB PRO 73 2HB PRO 73 -0.087 -4.697 3.509 339 1HG PRO 73 1HG PRO 73 -1.317 -2.251 2.903 340 2HG PRO 73 2HG PRO 73 -1.885 -3.445 4.080 341 1HD PRO 73 1HD PRO 73 -0.372 -0.919 4.514 342 2HD PRO 73 2HD PRO 73 -1.565 -1.716 5.560 343 H GLU 74 H GLU 74 3.431 -3.322 5.687 344 HA GLU 74 HA GLU 74 5.478 -2.480 5.254 345 1HB GLU 74 1HB GLU 74 4.444 -2.225 2.428 346 2HB GLU 74 2HB GLU 74 6.115 -1.950 2.905 347 1HG GLU 74 1HG GLU 74 4.595 -4.537 3.149 348 2HG GLU 74 2HG GLU 74 5.830 -4.159 1.949 349 H PHE 75 H PHE 75 3.585 -0.431 3.012 350 HA PHE 75 HA PHE 75 4.370 1.901 4.620 351 1HB PHE 75 1HB PHE 75 4.788 1.601 1.641 352 2HB PHE 75 2HB PHE 75 4.968 3.112 2.527 353 HD1 PHE 75 HD1 PHE 75 6.626 0.253 1.326 354 HD2 PHE 75 HD2 PHE 75 6.634 3.052 4.529 355 HE1 PHE 75 HE1 PHE 75 8.969 -0.319 1.818 356 HE2 PHE 75 HE2 PHE 75 8.973 2.487 5.029 357 HZ PHE 75 HZ PHE 75 10.144 0.797 3.670 358 H TYR 76 H TYR 76 3.089 3.697 4.451 359 HA TYR 76 HA TYR 76 0.718 3.590 2.769 360 1HB TYR 76 1HB TYR 76 -0.733 4.192 4.752 361 2HB TYR 76 2HB TYR 76 -0.144 2.536 4.736 362 HD1 TYR 76 HD1 TYR 76 1.712 1.879 6.285 363 HD2 TYR 76 HD2 TYR 76 -0.178 5.679 6.517 364 HE1 TYR 76 HE1 TYR 76 2.622 2.188 8.549 365 HE2 TYR 76 HE2 TYR 76 0.722 6.001 8.781 366 HH TYR 76 HH TYR 76 3.148 3.972 10.096 367 H GLY 77 H GLY 77 0.257 5.556 1.970 368 1HA GLY 77 1HA GLY 77 1.934 7.777 2.840 369 2HA GLY 77 2HA GLY 77 0.928 7.726 1.398 370 H LYS 78 H LYS 78 1.000 8.260 4.844 371 HA LYS 78 HA LYS 78 -0.538 9.004 6.346 372 1HB LYS 78 1HB LYS 78 -1.425 11.223 5.854 373 2HB LYS 78 2HB LYS 78 0.254 11.092 5.360 374 1HG LYS 78 1HG LYS 78 -0.427 10.881 3.035 375 2HG LYS 78 2HG LYS 78 -2.126 10.931 3.512 376 1HD LYS 78 1HD LYS 78 -1.799 13.178 4.422 377 2HD LYS 78 2HD LYS 78 -0.104 13.127 3.935 378 1HE LYS 78 1HE LYS 78 -0.742 12.976 1.606 379 2HE LYS 78 2HE LYS 78 -2.448 12.897 2.050 380 1HZ LYS 78 1HZ LYS 78 -1.864 15.121 1.351 381 2HZ LYS 78 2HZ LYS 78 -0.622 15.200 2.507 382 3HZ LYS 78 3HZ LYS 78 -2.243 15.123 3.008 383 H PHE 79 H PHE 79 -1.603 6.839 5.364 384 HA PHE 79 HA PHE 79 -3.771 6.881 3.680 385 1HB PHE 79 1HB PHE 79 -2.581 4.847 4.601 386 2HB PHE 79 2HB PHE 79 -3.558 5.029 6.055 387 HD1 PHE 79 HD1 PHE 79 -5.736 4.134 6.148 388 HD2 PHE 79 HD2 PHE 79 -3.771 4.545 2.399 389 HE1 PHE 79 HE1 PHE 79 -7.547 2.865 5.061 390 HE2 PHE 79 HE2 PHE 79 -5.570 3.280 1.309 391 HZ PHE 79 HZ PHE 79 -7.460 2.440 2.632 392 H LYS 80 H LYS 80 -3.673 7.677 7.094 393 HA LYS 80 HA LYS 80 -6.463 7.437 7.581 394 1HB LYS 80 1HB LYS 80 -4.816 7.389 9.404 395 2HB LYS 80 2HB LYS 80 -4.387 9.062 9.066 396 1HG LYS 80 1HG LYS 80 -6.616 9.785 9.691 397 2HG LYS 80 2HG LYS 80 -7.101 8.110 9.960 398 1HD LYS 80 1HD LYS 80 -5.458 7.908 11.748 399 2HD LYS 80 2HD LYS 80 -4.933 9.569 11.466 400 1HE LYS 80 1HE LYS 80 -6.445 9.427 13.375 401 2HE LYS 80 2HE LYS 80 -7.143 10.388 12.072 402 1HZ LYS 80 1HZ LYS 80 -8.675 8.764 13.176 403 2HZ LYS 80 2HZ LYS 80 -7.771 7.517 12.469 404 3HZ LYS 80 3HZ LYS 80 -8.587 8.633 11.489 405 H GLU 81 H GLU 81 -4.367 10.088 6.617 406 HA GLU 81 HA GLU 81 -6.507 12.031 6.645 407 1HB GLU 81 1HB GLU 81 -4.111 12.635 7.098 408 2HB GLU 81 2HB GLU 81 -3.741 12.246 5.424 409 1HG GLU 81 1HG GLU 81 -5.445 13.980 4.766 410 2HG GLU 81 2HG GLU 81 -5.484 14.461 6.462 411 H GLY 82 H GLY 82 -4.930 9.895 4.419 412 1HA GLY 82 1HA GLY 82 -5.658 11.002 2.000 413 2HA GLY 82 2HA GLY 82 -5.335 9.311 2.283 414 H VAL 83 H VAL 83 -7.281 8.700 4.069 415 HA VAL 83 HA VAL 83 -9.495 8.162 2.387 416 HB VAL 83 HB VAL 83 -9.208 8.160 5.247 417 1HG1 VAL 83 1HG1 VAL 83 -11.278 6.901 3.437 418 2HG1 VAL 83 2HG1 VAL 83 -11.563 8.209 4.584 419 3HG1 VAL 83 3HG1 VAL 83 -11.115 6.607 5.168 420 1HG2 VAL 83 1HG2 VAL 83 -8.868 5.753 4.871 421 2HG2 VAL 83 2HG2 VAL 83 -7.595 6.749 4.164 422 3HG2 VAL 83 3HG2 VAL 83 -8.846 6.054 3.133 423 H ALA 84 H ALA 84 -9.029 10.462 5.067 424 HA ALA 84 HA ALA 84 -11.776 11.313 4.925 425 1HB ALA 84 1HB ALA 84 -10.625 11.140 7.092 426 2HB ALA 84 2HB ALA 84 -11.242 12.766 6.800 427 3HB ALA 84 3HB ALA 84 -9.525 12.425 6.594 428 H SER 85 H SER 85 -8.714 12.404 3.746 429 HA SER 85 HA SER 85 -9.505 15.020 3.006 430 1HB SER 85 1HB SER 85 -7.142 14.237 2.976 431 2HB SER 85 2HB SER 85 -7.522 13.209 1.597 432 HG SER 85 HG SER 85 -7.998 16.002 1.542 433 H GLY 86 H GLY 86 -9.976 11.869 1.564 434 1HA GLY 86 1HA GLY 86 -11.679 11.256 0.102 435 2HA GLY 86 2HA GLY 86 -12.073 12.955 -0.120 436 H ASN 87 H ASN 87 -8.787 12.157 -0.414 437 HA ASN 87 HA ASN 87 -8.806 11.488 -3.174 438 1HB ASN 87 1HB ASN 87 -7.778 13.519 -4.087 439 2HB ASN 87 2HB ASN 87 -9.371 13.861 -3.430 440 1HD2 ASN 87 1HD2 ASN 87 -9.539 15.098 -1.530 441 2HD2 ASN 87 2HD2 ASN 87 -8.224 16.072 -0.966 442 H LEU 88 H LEU 88 -7.690 10.055 -1.362 443 HA LEU 88 HA LEU 88 -5.004 10.573 -0.754 444 1HB LEU 88 1HB LEU 88 -6.710 8.665 -0.041 445 2HB LEU 88 2HB LEU 88 -5.845 7.789 -1.292 446 HG LEU 88 HG LEU 88 -4.583 9.166 1.018 447 1HD1 LEU 88 1HD1 LEU 88 -5.234 6.254 0.629 448 2HD1 LEU 88 2HD1 LEU 88 -5.913 7.339 1.844 449 3HD1 LEU 88 3HD1 LEU 88 -4.211 6.884 1.919 450 1HD2 LEU 88 1HD2 LEU 88 -3.424 7.219 -0.961 451 2HD2 LEU 88 2HD2 LEU 88 -2.578 7.883 0.438 452 3HD2 LEU 88 3HD2 LEU 88 -3.080 8.946 -0.878 453 H ASN 89 H ASN 89 -4.288 11.504 -2.759 454 HA ASN 89 HA ASN 89 -3.038 9.442 -4.395 455 1HB ASN 89 1HB ASN 89 -4.931 9.999 -5.758 456 2HB ASN 89 2HB ASN 89 -4.733 11.713 -5.443 457 1HD2 ASN 89 1HD2 ASN 89 -4.606 12.317 -7.546 458 2HD2 ASN 89 2HD2 ASN 89 -3.270 11.921 -8.580 459 H THR 90 H THR 90 -1.013 9.860 -3.584 460 HA THR 90 HA THR 90 0.218 12.371 -4.387 461 HB THR 90 HB THR 90 0.461 11.419 -1.683 462 HG1 THR 90 HG1 THR 90 -1.552 12.902 -2.891 463 1HG2 THR 90 1HG2 THR 90 2.262 12.823 -2.522 464 2HG2 THR 90 2HG2 THR 90 1.287 13.686 -1.331 465 3HG2 THR 90 3HG2 THR 90 1.088 14.027 -3.051 466 H MET 91 H MET 91 2.488 12.197 -4.533 467 HA MET 91 HA MET 91 3.583 9.531 -3.974 468 1HB MET 91 1HB MET 91 5.590 10.285 -5.224 469 2HB MET 91 2HB MET 91 4.127 10.302 -6.193 470 1HG MET 91 1HG MET 91 4.002 12.648 -6.154 471 2HG MET 91 2HG MET 91 5.173 12.767 -4.842 472 1HE MET 91 1HE MET 91 7.720 12.486 -5.083 473 2HE MET 91 2HE MET 91 8.544 11.971 -6.555 474 3HE MET 91 3HE MET 91 7.514 10.840 -5.679 475 H PHE 92 H PHE 92 4.476 9.235 -2.093 476 HA PHE 92 HA PHE 92 5.687 11.548 -0.728 477 1HB PHE 92 1HB PHE 92 3.675 10.628 0.398 478 2HB PHE 92 2HB PHE 92 4.474 9.065 0.508 479 HD1 PHE 92 HD1 PHE 92 4.685 12.588 1.615 480 HD2 PHE 92 HD2 PHE 92 5.915 8.572 2.291 481 HE1 PHE 92 HE1 PHE 92 5.650 13.251 3.781 482 HE2 PHE 92 HE2 PHE 92 6.884 9.227 4.452 483 HZ PHE 92 HZ PHE 92 6.752 11.567 5.199 484 H GLU 93 H GLU 93 7.840 11.432 -0.948 485 HA GLU 93 HA GLU 93 9.076 8.778 -0.825 486 1HB GLU 93 1HB GLU 93 11.102 9.919 -1.772 487 2HB GLU 93 2HB GLU 93 9.705 9.897 -2.836 488 1HG GLU 93 1HG GLU 93 9.220 12.213 -2.266 489 2HG GLU 93 2HG GLU 93 10.597 12.238 -1.162 490 H TYR 94 H TYR 94 9.883 8.201 1.040 491 HA TYR 94 HA TYR 94 10.704 10.290 2.947 492 1HB TYR 94 1HB TYR 94 8.794 8.933 3.701 493 2HB TYR 94 2HB TYR 94 9.742 7.467 3.482 494 HD1 TYR 94 HD1 TYR 94 11.213 6.704 5.175 495 HD2 TYR 94 HD2 TYR 94 9.480 10.577 5.481 496 HE1 TYR 94 HE1 TYR 94 12.025 6.877 7.487 497 HE2 TYR 94 HE2 TYR 94 10.290 10.761 7.796 498 HH TYR 94 HH TYR 94 12.598 8.684 9.106 499 H THR 95 H THR 95 12.726 10.251 3.780 500 HA THR 95 HA THR 95 14.562 8.276 2.652 501 HB THR 95 HB THR 95 15.089 10.635 4.203 502 HG1 THR 95 HG1 THR 95 14.273 11.507 2.422 503 1HG2 THR 95 1HG2 THR 95 16.766 8.929 2.373 504 2HG2 THR 95 2HG2 THR 95 16.910 9.016 4.129 505 3HG2 THR 95 3HG2 THR 95 17.275 10.430 3.142 506 H PHE 96 H PHE 96 14.786 6.517 3.882 507 HA PHE 96 HA PHE 96 14.533 6.614 6.736 508 1HB PHE 96 1HB PHE 96 15.217 4.442 4.779 509 2HB PHE 96 2HB PHE 96 15.419 4.189 6.510 510 HD1 PHE 96 HD1 PHE 96 13.475 4.131 7.994 511 HD2 PHE 96 HD2 PHE 96 13.043 4.590 3.784 512 HE1 PHE 96 HE1 PHE 96 11.091 3.553 8.175 513 HE2 PHE 96 HE2 PHE 96 10.657 4.015 3.961 514 HZ PHE 96 HZ PHE 96 9.676 3.514 6.201 515 H ASP 97 H ASP 97 16.157 8.267 7.057 516 HA ASP 97 HA ASP 97 18.874 7.163 7.175 517 1HB ASP 97 1HB ASP 97 18.609 9.457 6.249 518 2HB ASP 97 2HB ASP 97 17.923 9.975 7.787 519 H TYR 98 H TYR 98 19.670 6.442 9.079 520 HA TYR 98 HA TYR 98 18.273 6.961 11.564 521 1HB TYR 98 1HB TYR 98 16.871 5.329 10.175 522 2HB TYR 98 2HB TYR 98 18.176 4.175 10.394 523 HD1 TYR 98 HD1 TYR 98 18.242 2.814 12.288 524 HD2 TYR 98 HD2 TYR 98 15.727 6.247 12.278 525 HE1 TYR 98 HE1 TYR 98 17.284 2.113 14.440 526 HE2 TYR 98 HE2 TYR 98 14.755 5.548 14.427 527 HH TYR 98 HH TYR 98 16.165 3.094 16.341 528 H GLN 99 H GLN 99 20.015 4.210 10.192 529 HA GLN 99 HA GLN 99 22.473 4.824 11.546 530 1HB GLN 99 1HB GLN 99 20.995 3.768 13.324 531 2HB GLN 99 2HB GLN 99 21.000 2.303 12.354 532 1HG GLN 99 1HG GLN 99 22.626 2.090 14.099 533 2HG GLN 99 2HG GLN 99 23.456 2.219 12.551 534 1HE2 GLN 99 1HE2 GLN 99 25.356 2.920 13.439 535 2HE2 GLN 99 2HE2 GLN 99 25.543 4.491 14.152 536 H MET 100 H MET 100 21.563 4.493 8.900 537 HA MET 100 HA MET 100 23.192 2.297 7.923 538 1HB MET 100 1HB MET 100 20.822 1.425 8.393 539 2HB MET 100 2HB MET 100 20.284 2.478 7.096 540 1HG MET 100 1HG MET 100 21.735 1.275 5.530 541 2HG MET 100 2HG MET 100 22.245 0.210 6.840 542 1HE MET 100 1HE MET 100 20.982 -0.752 4.012 543 2HE MET 100 2HE MET 100 19.969 -2.075 4.590 544 3HE MET 100 3HE MET 100 21.581 -1.838 5.264 545 H THR 101 H THR 101 22.269 2.454 5.215 546 HA THR 101 HA THR 101 23.185 5.080 4.494 547 HB THR 101 HB THR 101 22.382 4.179 2.316 548 HG1 THR 101 HG1 THR 101 22.785 1.827 2.497 549 1HG2 THR 101 1HG2 THR 101 24.611 3.159 2.119 550 2HG2 THR 101 2HG2 THR 101 24.804 3.296 3.867 551 3HG2 THR 101 3HG2 THR 101 24.656 4.749 2.879 552 HA PRO 102 HA PRO 102 19.313 7.138 4.137 553 1HB PRO 102 1HB PRO 102 20.182 8.259 1.545 554 2HB PRO 102 2HB PRO 102 19.745 9.091 3.041 555 1HG PRO 102 1HG PRO 102 22.291 8.940 2.221 556 2HG PRO 102 2HG PRO 102 21.863 8.872 3.941 557 1HD PRO 102 1HD PRO 102 22.621 6.651 2.082 558 2HD PRO 102 2HD PRO 102 23.063 6.898 3.786 559 H THR 103 H THR 103 17.936 5.397 3.773 560 HA THR 103 HA THR 103 17.610 4.434 1.047 561 HB THR 103 HB THR 103 16.134 3.785 3.419 562 HG1 THR 103 HG1 THR 103 18.609 3.584 3.339 563 1HG2 THR 103 1HG2 THR 103 15.105 3.059 1.349 564 2HG2 THR 103 2HG2 THR 103 15.817 1.681 2.189 565 3HG2 THR 103 3HG2 THR 103 16.640 2.386 0.798 566 H LYS 104 H LYS 104 16.598 6.027 -0.101 567 HA LYS 104 HA LYS 104 14.198 7.288 0.912 568 1HB LYS 104 1HB LYS 104 15.705 8.600 -0.493 569 2HB LYS 104 2HB LYS 104 15.523 7.444 -1.806 570 1HG LYS 104 1HG LYS 104 13.012 8.013 -1.667 571 2HG LYS 104 2HG LYS 104 13.539 9.425 -0.749 572 1HD LYS 104 1HD LYS 104 14.550 8.703 -3.498 573 2HD LYS 104 2HD LYS 104 13.235 9.836 -3.189 574 1HE LYS 104 1HE LYS 104 16.024 10.143 -2.091 575 2HE LYS 104 2HE LYS 104 15.457 10.902 -3.576 576 1HZ LYS 104 1HZ LYS 104 15.302 12.442 -1.752 577 2HZ LYS 104 2HZ LYS 104 14.368 11.354 -0.852 578 3HZ LYS 104 3HZ LYS 104 13.735 12.033 -2.270 579 H VAL 105 H VAL 105 12.349 6.172 0.920 580 HA VAL 105 HA VAL 105 11.787 4.425 -1.351 581 HB VAL 105 HB VAL 105 9.940 3.749 -0.199 582 1HG1 VAL 105 1HG1 VAL 105 11.230 2.470 1.483 583 2HG1 VAL 105 2HG1 VAL 105 12.608 3.535 1.194 584 3HG1 VAL 105 3HG1 VAL 105 12.006 2.501 -0.101 585 1HG2 VAL 105 1HG2 VAL 105 9.760 4.257 2.193 586 2HG2 VAL 105 2HG2 VAL 105 9.489 5.674 1.180 587 3HG2 VAL 105 3HG2 VAL 105 11.029 5.471 2.015 588 H LYS 106 H LYS 106 9.665 4.514 -2.312 589 HA LYS 106 HA LYS 106 8.495 7.209 -2.166 590 1HB LYS 106 1HB LYS 106 9.068 5.599 -4.647 591 2HB LYS 106 2HB LYS 106 7.993 6.985 -4.632 592 1HG LYS 106 1HG LYS 106 10.031 8.253 -3.661 593 2HG LYS 106 2HG LYS 106 10.962 6.895 -4.301 594 1HD LYS 106 1HD LYS 106 9.996 7.285 -6.520 595 2HD LYS 106 2HD LYS 106 9.067 8.641 -5.882 596 1HE LYS 106 1HE LYS 106 10.904 9.659 -6.879 597 2HE LYS 106 2HE LYS 106 11.346 9.592 -5.172 598 1HZ LYS 106 1HZ LYS 106 12.742 7.712 -5.599 599 2HZ LYS 106 2HZ LYS 106 13.141 8.919 -6.709 600 3HZ LYS 106 3HZ LYS 106 12.204 7.598 -7.199 601 H VAL 107 H VAL 107 6.452 7.163 -1.590 602 HA VAL 107 HA VAL 107 4.860 4.759 -2.221 603 HB VAL 107 HB VAL 107 3.867 7.015 -0.786 604 1HG1 VAL 107 1HG1 VAL 107 2.379 5.218 -1.433 605 2HG1 VAL 107 2HG1 VAL 107 2.622 5.203 0.314 606 3HG1 VAL 107 3HG1 VAL 107 3.455 4.026 -0.702 607 1HG2 VAL 107 1HG2 VAL 107 5.663 4.877 0.371 608 2HG2 VAL 107 2HG2 VAL 107 4.713 6.041 1.294 609 3HG2 VAL 107 3HG2 VAL 107 6.032 6.599 0.264 610 H HIS 108 H HIS 108 4.189 5.073 -4.331 611 HA HIS 108 HA HIS 108 2.731 7.577 -4.810 612 1HB HIS 108 1HB HIS 108 4.232 6.445 -6.611 613 2HB HIS 108 2HB HIS 108 2.910 5.294 -6.777 614 HD1 HIS 108 HD1 HIS 108 3.993 7.616 -8.834 615 HD2 HIS 108 HD2 HIS 108 0.451 7.554 -6.653 616 HE1 HIS 108 HE1 HIS 108 2.412 9.128 -10.063 617 HE2 HIS 108 HE2 HIS 108 0.340 9.223 -8.631 618 H MET 109 H MET 109 0.899 7.542 -3.774 619 HA MET 109 HA MET 109 -0.685 5.058 -3.801 620 1HB MET 109 1HB MET 109 0.429 5.913 -1.586 621 2HB MET 109 2HB MET 109 -0.852 7.116 -1.608 622 1HG MET 109 1HG MET 109 -2.530 5.460 -1.428 623 2HG MET 109 2HG MET 109 -1.377 4.163 -1.736 624 1HE MET 109 1HE MET 109 -3.206 3.648 0.581 625 2HE MET 109 2HE MET 109 -2.105 3.251 1.899 626 3HE MET 109 3HE MET 109 -1.777 2.661 0.268 627 H LYS 110 H LYS 110 -2.569 5.318 -4.911 628 HA LYS 110 HA LYS 110 -3.568 8.058 -5.159 629 1HB LYS 110 1HB LYS 110 -3.736 7.924 -7.564 630 2HB LYS 110 2HB LYS 110 -2.069 7.650 -7.087 631 1HG LYS 110 1HG LYS 110 -2.392 5.236 -7.401 632 2HG LYS 110 2HG LYS 110 -4.053 5.539 -7.916 633 1HD LYS 110 1HD LYS 110 -3.184 6.956 -9.752 634 2HD LYS 110 2HD LYS 110 -1.543 6.529 -9.267 635 1HE LYS 110 1HE LYS 110 -2.119 4.142 -9.641 636 2HE LYS 110 2HE LYS 110 -3.684 4.658 -10.264 637 1HZ LYS 110 1HZ LYS 110 -1.038 5.387 -11.404 638 2HZ LYS 110 2HZ LYS 110 -2.539 5.901 -12.001 639 3HZ LYS 110 3HZ LYS 110 -2.120 4.261 -12.059 640 H LYS 111 H LYS 111 -5.701 8.200 -5.061 641 HA LYS 111 HA LYS 111 -7.362 6.110 -4.530 642 1HB LYS 111 1HB LYS 111 -7.873 8.395 -4.080 643 2HB LYS 111 2HB LYS 111 -7.872 8.781 -5.790 644 1HG LYS 111 1HG LYS 111 -9.846 7.377 -6.118 645 2HG LYS 111 2HG LYS 111 -9.847 6.980 -4.396 646 1HD LYS 111 1HD LYS 111 -10.219 9.297 -3.823 647 2HD LYS 111 2HD LYS 111 -10.089 9.767 -5.521 648 1HE LYS 111 1HE LYS 111 -12.418 9.687 -4.893 649 2HE LYS 111 2HE LYS 111 -12.081 8.365 -6.008 650 1HZ LYS 111 1HZ LYS 111 -13.453 7.627 -4.161 651 2HZ LYS 111 2HZ LYS 111 -12.282 8.135 -3.049 652 3HZ LYS 111 3HZ LYS 111 -11.944 6.860 -4.111 653 H ALA 112 H ALA 112 -7.889 4.448 -5.700 654 HA ALA 112 HA ALA 112 -7.230 4.107 -8.396 655 1HB ALA 112 1HB ALA 112 -9.171 2.547 -6.691 656 2HB ALA 112 2HB ALA 112 -7.441 2.241 -6.851 657 3HB ALA 112 3HB ALA 112 -8.508 2.018 -8.237 658 H LEU 113 H LEU 113 -8.485 4.092 -10.257 659 HA LEU 113 HA LEU 113 -10.660 5.901 -10.366 660 1HB LEU 113 1HB LEU 113 -9.555 3.938 -12.363 661 2HB LEU 113 2HB LEU 113 -10.923 4.968 -12.721 662 HG LEU 113 HG LEU 113 -9.011 5.987 -13.676 663 1HD1 LEU 113 1HD1 LEU 113 -10.560 7.525 -12.607 664 2HD1 LEU 113 2HD1 LEU 113 -8.906 8.129 -12.526 665 3HD1 LEU 113 3HD1 LEU 113 -9.651 7.408 -11.100 666 1HD2 LEU 113 1HD2 LEU 113 -7.672 5.759 -10.984 667 2HD2 LEU 113 2HD2 LEU 113 -7.012 6.581 -12.397 668 3HD2 LEU 113 3HD2 LEU 113 -7.269 4.836 -12.434 669 H SER 114 H SER 114 -10.459 2.618 -9.548 670 HA SER 114 HA SER 114 -13.015 1.696 -10.216 671 1HB SER 114 1HB SER 114 -11.363 1.014 -7.767 672 2HB SER 114 2HB SER 114 -12.669 0.042 -8.446 673 HG SER 114 HG SER 114 -11.430 -0.363 -10.244 674 H GLY 115 H GLY 115 -11.865 3.794 -7.645 675 1HA GLY 115 1HA GLY 115 -13.688 5.426 -7.028 676 2HA GLY 115 2HA GLY 115 -14.639 3.997 -6.660 677 H ASP 116 H ASP 116 -14.245 2.844 -4.784 678 HA ASP 116 HA ASP 116 -13.150 4.565 -2.706 679 1HB ASP 116 1HB ASP 116 -14.725 1.994 -2.447 680 2HB ASP 116 2HB ASP 116 -14.376 3.139 -1.154 681 H SER 117 H SER 117 -11.103 3.642 -4.085 682 HA SER 117 HA SER 117 -9.753 1.855 -2.248 683 1HB SER 117 1HB SER 117 -8.854 0.614 -4.338 684 2HB SER 117 2HB SER 117 -10.430 0.184 -3.690 685 HG SER 117 HG SER 117 -11.302 1.687 -5.278 686 H TYR 118 H TYR 118 -7.423 1.867 -2.589 687 HA TYR 118 HA TYR 118 -6.422 4.128 -4.184 688 1HB TYR 118 1HB TYR 118 -5.572 3.660 -1.312 689 2HB TYR 118 2HB TYR 118 -5.149 5.017 -2.355 690 HD1 TYR 118 HD1 TYR 118 -7.491 3.702 -0.016 691 HD2 TYR 118 HD2 TYR 118 -6.921 6.650 -2.997 692 HE1 TYR 118 HE1 TYR 118 -9.402 4.970 0.895 693 HE2 TYR 118 HE2 TYR 118 -8.842 7.935 -2.113 694 HH TYR 118 HH TYR 118 -10.846 7.562 -0.769 695 H TRP 119 H TRP 119 -4.421 3.763 -5.126 696 HA TRP 119 HA TRP 119 -3.414 1.055 -4.942 697 1HB TRP 119 1HB TRP 119 -2.657 3.434 -6.636 698 2HB TRP 119 2HB TRP 119 -1.794 1.889 -6.696 699 HD1 TRP 119 HD1 TRP 119 -5.425 3.181 -7.228 700 HE1 TRP 119 HE1 TRP 119 -6.458 1.747 -9.127 701 HE3 TRP 119 HE3 TRP 119 -1.511 0.036 -8.091 702 HZ2 TRP 119 HZ2 TRP 119 -5.681 -0.445 -10.750 703 HZ3 TRP 119 HZ3 TRP 119 -1.706 -1.668 -9.810 704 HH2 TRP 119 HH2 TRP 119 -3.749 -1.915 -11.138 705 H VAL 120 H VAL 120 -1.150 0.659 -4.784 706 HA VAL 120 HA VAL 120 0.403 2.602 -3.214 707 HB VAL 120 HB VAL 120 0.230 -0.241 -2.802 708 1HG1 VAL 120 1HG1 VAL 120 1.657 1.955 -1.297 709 2HG1 VAL 120 2HG1 VAL 120 2.428 0.751 -2.329 710 3HG1 VAL 120 3HG1 VAL 120 1.608 0.249 -0.850 711 1HG2 VAL 120 1HG2 VAL 120 -1.819 0.868 -2.093 712 2HG2 VAL 120 2HG2 VAL 120 -0.871 2.019 -1.151 713 3HG2 VAL 120 3HG2 VAL 120 -0.870 0.309 -0.718 714 H PHE 121 H PHE 121 1.773 3.079 -4.916 715 HA PHE 121 HA PHE 121 3.269 0.820 -6.093 716 1HB PHE 121 1HB PHE 121 3.338 3.736 -6.869 717 2HB PHE 121 2HB PHE 121 4.126 2.420 -7.712 718 HD1 PHE 121 HD1 PHE 121 0.959 4.109 -7.065 719 HD2 PHE 121 HD2 PHE 121 2.875 0.922 -9.131 720 HE1 PHE 121 HE1 PHE 121 -1.039 3.819 -8.468 721 HE2 PHE 121 HE2 PHE 121 0.882 0.634 -10.543 722 HZ PHE 121 HZ PHE 121 -1.031 2.138 -10.289 723 H VAL 122 H VAL 122 4.897 0.320 -4.695 724 HA VAL 122 HA VAL 122 6.271 2.488 -3.312 725 HB VAL 122 HB VAL 122 5.521 0.604 -2.211 726 1HG1 VAL 122 1HG1 VAL 122 5.943 -1.113 -3.869 727 2HG1 VAL 122 2HG1 VAL 122 6.806 -1.468 -2.371 728 3HG1 VAL 122 3HG1 VAL 122 7.679 -0.814 -3.757 729 1HG2 VAL 122 1HG2 VAL 122 8.480 1.096 -2.159 730 2HG2 VAL 122 2HG2 VAL 122 7.527 0.345 -0.879 731 3HG2 VAL 122 3HG2 VAL 122 7.249 2.033 -1.311 732 H LYS 123 H LYS 123 8.483 2.859 -3.453 733 HA LYS 123 HA LYS 123 10.092 1.316 -5.301 734 1HB LYS 123 1HB LYS 123 9.341 4.178 -5.764 735 2HB LYS 123 2HB LYS 123 10.934 3.615 -6.236 736 1HG LYS 123 1HG LYS 123 9.734 1.809 -7.561 737 2HG LYS 123 2HG LYS 123 8.265 2.748 -7.288 738 1HD LYS 123 1HD LYS 123 9.273 3.320 -9.439 739 2HD LYS 123 2HD LYS 123 9.318 4.700 -8.339 740 1HE LYS 123 1HE LYS 123 11.659 4.177 -7.797 741 2HE LYS 123 2HE LYS 123 11.604 2.814 -8.912 742 1HZ LYS 123 1HZ LYS 123 11.266 5.673 -9.648 743 2HZ LYS 123 2HZ LYS 123 11.196 4.368 -10.728 744 3HZ LYS 123 3HZ LYS 123 12.646 4.736 -9.928 745 H ARG 124 H ARG 124 12.327 1.831 -5.154 746 HA ARG 124 HA ARG 124 13.056 3.521 -2.864 747 1HB ARG 124 1HB ARG 124 15.061 2.047 -2.566 748 2HB ARG 124 2HB ARG 124 13.530 1.276 -2.180 749 1HG ARG 124 1HG ARG 124 13.556 0.169 -4.371 750 2HG ARG 124 2HG ARG 124 15.118 0.916 -4.709 751 1HD ARG 124 1HD ARG 124 15.385 -1.386 -3.934 752 2HD ARG 124 2HD ARG 124 16.101 -0.239 -2.804 753 HE ARG 124 HE ARG 124 13.723 -0.565 -1.692 754 1HH1 ARG 124 1HH1 ARG 124 15.872 -2.968 -3.055 755 2HH1 ARG 124 2HH1 ARG 124 15.348 -4.231 -1.977 756 1HH2 ARG 124 1HH2 ARG 124 13.030 -2.211 -0.268 757 2HH2 ARG 124 2HH2 ARG 124 13.722 -3.804 -0.397 758 H VAL 125 H VAL 125 14.835 4.831 -3.139 759 HA VAL 125 HA VAL 125 16.325 6.159 -4.217 760 HB VAL 125 HB VAL 125 16.062 4.246 -6.349 761 1HG1 VAL 125 1HG1 VAL 125 18.022 6.495 -5.891 762 2HG1 VAL 125 2HG1 VAL 125 16.767 6.470 -7.129 763 3HG1 VAL 125 3HG1 VAL 125 18.090 5.304 -7.191 764 1HG2 VAL 125 1HG2 VAL 125 18.235 3.491 -5.521 765 2HG2 VAL 125 2HG2 VAL 125 16.965 3.283 -4.315 766 3HG2 VAL 125 3HG2 VAL 125 18.105 4.619 -4.172 767 H2 HC4 169 H2 HC4 169 -8.303 3.820 16.897 768 H3 HC4 169 H3 HC4 169 -8.027 5.058 18.657 769 H2' HC4 169 H2' HC4 169 -7.432 5.632 20.933 770 H3' HC4 169 H3' HC4 169 -6.047 5.398 22.943 771 H5' HC4 169 H5' HC4 169 -4.646 1.643 21.507 772 H6' HC4 169 H6' HC4 169 -5.906 1.975 19.435 773 'HO4 HC4 169 'HO4 HC4 169 -3.674 3.013 23.309 Start of MODEL 20 1 H LEU 26 H LEU 26 14.079 -7.654 -8.206 2 HA LEU 26 HA LEU 26 12.721 -7.088 -10.080 3 1HB LEU 26 1HB LEU 26 12.285 -9.529 -10.637 4 2HB LEU 26 2HB LEU 26 11.075 -9.522 -9.373 5 HG LEU 26 HG LEU 26 10.913 -7.577 -11.661 6 1HD1 LEU 26 1HD1 LEU 26 11.121 -9.785 -12.661 7 2HD1 LEU 26 2HD1 LEU 26 9.476 -9.174 -12.830 8 3HD1 LEU 26 3HD1 LEU 26 9.842 -10.395 -11.611 9 1HD2 LEU 26 1HD2 LEU 26 9.456 -7.204 -9.725 10 2HD2 LEU 26 2HD2 LEU 26 8.818 -8.841 -9.895 11 3HD2 LEU 26 3HD2 LEU 26 8.532 -7.645 -11.160 12 H ALA 27 H ALA 27 11.972 -5.325 -9.115 13 HA ALA 27 HA ALA 27 10.403 -5.619 -6.656 14 1HB ALA 27 1HB ALA 27 10.855 -3.241 -6.279 15 2HB ALA 27 2HB ALA 27 11.737 -3.170 -7.806 16 3HB ALA 27 3HB ALA 27 12.344 -4.164 -6.481 17 H PHE 28 H PHE 28 8.434 -6.193 -7.594 18 HA PHE 28 HA PHE 28 7.214 -4.442 -9.544 19 1HB PHE 28 1HB PHE 28 6.889 -7.038 -9.231 20 2HB PHE 28 2HB PHE 28 5.687 -6.541 -8.047 21 HD1 PHE 28 HD1 PHE 28 6.093 -7.507 -11.337 22 HD2 PHE 28 HD2 PHE 28 4.099 -4.569 -8.991 23 HE1 PHE 28 HE1 PHE 28 4.450 -7.186 -13.138 24 HE2 PHE 28 HE2 PHE 28 2.454 -4.242 -10.789 25 HZ PHE 28 HZ PHE 28 2.622 -5.619 -12.874 26 H GLY 29 H GLY 29 7.246 -2.489 -8.374 27 1HA GLY 29 1HA GLY 29 5.904 -2.349 -5.807 28 2HA GLY 29 2HA GLY 29 6.711 -1.029 -6.638 29 H ALA 30 H ALA 30 3.906 -3.166 -7.262 30 HA ALA 30 HA ALA 30 2.237 -0.768 -7.345 31 1HB ALA 30 1HB ALA 30 2.926 -1.075 -9.670 32 2HB ALA 30 2HB ALA 30 1.202 -1.395 -9.475 33 3HB ALA 30 3HB ALA 30 2.335 -2.738 -9.638 34 H ILE 31 H ILE 31 0.987 -1.344 -5.664 35 HA ILE 31 HA ILE 31 -0.616 -3.775 -6.005 36 HB ILE 31 HB ILE 31 0.880 -4.209 -4.462 37 1HG1 ILE 31 1HG1 ILE 31 -1.838 -3.681 -3.342 38 2HG1 ILE 31 2HG1 ILE 31 -1.249 -5.137 -4.136 39 1HG2 ILE 31 1HG2 ILE 31 -0.035 -1.741 -3.005 40 2HG2 ILE 31 2HG2 ILE 31 1.535 -1.963 -3.777 41 3HG2 ILE 31 3HG2 ILE 31 1.093 -2.945 -2.380 42 1HD1 ILE 31 1HD1 ILE 31 -1.381 -5.447 -1.739 43 2HD1 ILE 31 2HD1 ILE 31 -0.301 -4.075 -1.490 44 3HD1 ILE 31 3HD1 ILE 31 0.292 -5.529 -2.293 45 H GLN 32 H GLN 32 -2.753 -3.626 -5.444 46 HA GLN 32 HA GLN 32 -3.673 -0.873 -5.034 47 1HB GLN 32 1HB GLN 32 -4.688 -1.148 -7.003 48 2HB GLN 32 2HB GLN 32 -4.177 -2.826 -7.076 49 1HG GLN 32 1HG GLN 32 -6.434 -3.009 -7.236 50 2HG GLN 32 2HG GLN 32 -6.166 -3.232 -5.503 51 1HE2 GLN 32 1HE2 GLN 32 -8.541 -2.301 -6.975 52 2HE2 GLN 32 2HE2 GLN 32 -8.930 -0.750 -6.312 53 H LEU 33 H LEU 33 -4.932 -0.486 -3.327 54 HA LEU 33 HA LEU 33 -6.150 -2.806 -1.965 55 1HB LEU 33 1HB LEU 33 -5.678 -1.678 0.209 56 2HB LEU 33 2HB LEU 33 -4.266 -2.276 -0.633 57 HG LEU 33 HG LEU 33 -3.981 0.148 -1.471 58 1HD1 LEU 33 1HD1 LEU 33 -5.783 0.634 0.895 59 2HD1 LEU 33 2HD1 LEU 33 -6.178 0.968 -0.791 60 3HD1 LEU 33 3HD1 LEU 33 -4.883 1.862 0.003 61 1HD2 LEU 33 1HD2 LEU 33 -2.741 0.740 0.538 62 2HD2 LEU 33 2HD2 LEU 33 -2.505 -0.961 0.130 63 3HD2 LEU 33 3HD2 LEU 33 -3.593 -0.510 1.445 64 H ASP 34 H ASP 34 -7.976 -2.296 -0.612 65 HA ASP 34 HA ASP 34 -9.700 -0.451 -2.013 66 1HB ASP 34 1HB ASP 34 -11.494 -1.301 -0.553 67 2HB ASP 34 2HB ASP 34 -10.629 -2.598 -1.364 68 H GLY 35 H GLY 35 -10.986 1.136 -0.993 69 1HA GLY 35 1HA GLY 35 -9.434 2.774 0.806 70 2HA GLY 35 2HA GLY 35 -10.966 3.202 0.056 71 H ASP 36 H ASP 36 -10.336 0.301 1.873 72 HA ASP 36 HA ASP 36 -12.134 1.265 3.998 73 1HB ASP 36 1HB ASP 36 -13.095 -0.446 2.377 74 2HB ASP 36 2HB ASP 36 -11.931 -1.588 3.034 75 H GLY 37 H GLY 37 -9.245 -0.443 3.091 76 1HA GLY 37 1HA GLY 37 -7.475 0.061 4.831 77 2HA GLY 37 2HA GLY 37 -8.577 -0.712 5.957 78 H ASN 38 H ASN 38 -8.701 -2.241 2.949 79 HA ASN 38 HA ASN 38 -6.696 -4.227 3.826 80 1HB ASN 38 1HB ASN 38 -9.448 -4.792 2.706 81 2HB ASN 38 2HB ASN 38 -8.213 -6.009 3.006 82 1HD2 ASN 38 1HD2 ASN 38 -10.591 -3.944 4.383 83 2HD2 ASN 38 2HD2 ASN 38 -10.498 -4.551 6.000 84 H ILE 39 H ILE 39 -5.844 -5.578 2.133 85 HA ILE 39 HA ILE 39 -5.330 -4.163 -0.275 86 HB ILE 39 HB ILE 39 -5.020 -6.941 0.394 87 1HG1 ILE 39 1HG1 ILE 39 -4.095 -5.244 1.993 88 2HG1 ILE 39 2HG1 ILE 39 -2.954 -6.370 1.299 89 1HG2 ILE 39 1HG2 ILE 39 -3.238 -6.837 -1.271 90 2HG2 ILE 39 2HG2 ILE 39 -3.651 -5.159 -1.619 91 3HG2 ILE 39 3HG2 ILE 39 -4.795 -6.447 -2.004 92 1HD1 ILE 39 1HD1 ILE 39 -2.237 -4.620 -0.276 93 2HD1 ILE 39 2HD1 ILE 39 -2.016 -4.141 1.407 94 3HD1 ILE 39 3HD1 ILE 39 -3.374 -3.504 0.479 95 H LEU 40 H LEU 40 -6.146 -4.521 -2.322 96 HA LEU 40 HA LEU 40 -8.592 -6.154 -2.409 97 1HB LEU 40 1HB LEU 40 -8.830 -3.686 -2.780 98 2HB LEU 40 2HB LEU 40 -7.850 -3.857 -4.224 99 HG LEU 40 HG LEU 40 -9.541 -5.289 -5.240 100 1HD1 LEU 40 1HD1 LEU 40 -10.374 -6.351 -3.198 101 2HD1 LEU 40 2HD1 LEU 40 -11.686 -5.677 -4.163 102 3HD1 LEU 40 3HD1 LEU 40 -11.132 -4.831 -2.718 103 1HD2 LEU 40 1HD2 LEU 40 -9.718 -2.891 -5.580 104 2HD2 LEU 40 2HD2 LEU 40 -10.671 -2.733 -4.105 105 3HD2 LEU 40 3HD2 LEU 40 -11.324 -3.616 -5.486 106 H GLN 41 H GLN 41 -5.789 -5.148 -4.388 107 HA GLN 41 HA GLN 41 -5.587 -7.861 -5.372 108 1HB GLN 41 1HB GLN 41 -7.207 -6.686 -6.909 109 2HB GLN 41 2HB GLN 41 -5.889 -5.616 -7.369 110 1HG GLN 41 1HG GLN 41 -4.618 -7.514 -8.204 111 2HG GLN 41 2HG GLN 41 -5.908 -8.608 -7.713 112 1HE2 GLN 41 1HE2 GLN 41 -7.992 -6.681 -8.535 113 2HE2 GLN 41 2HE2 GLN 41 -8.035 -6.768 -10.262 114 H TYR 42 H TYR 42 -3.523 -8.286 -5.004 115 HA TYR 42 HA TYR 42 -1.473 -6.255 -5.335 116 1HB TYR 42 1HB TYR 42 -1.230 -7.761 -3.459 117 2HB TYR 42 2HB TYR 42 -1.358 -9.165 -4.510 118 HD1 TYR 42 HD1 TYR 42 0.589 -10.261 -5.039 119 HD2 TYR 42 HD2 TYR 42 0.771 -6.103 -4.156 120 HE1 TYR 42 HE1 TYR 42 3.035 -10.325 -5.266 121 HE2 TYR 42 HE2 TYR 42 3.220 -6.155 -4.387 122 HH TYR 42 HH TYR 42 5.043 -7.776 -4.254 123 H ASN 43 H ASN 43 -0.200 -6.034 -7.089 124 HA ASN 43 HA ASN 43 -0.746 -7.836 -9.327 125 1HB ASN 43 1HB ASN 43 0.640 -5.144 -9.313 126 2HB ASN 43 2HB ASN 43 0.277 -6.099 -10.746 127 1HD2 ASN 43 1HD2 ASN 43 -0.942 -3.999 -8.324 128 2HD2 ASN 43 2HD2 ASN 43 -2.527 -3.790 -8.986 129 H ALA 44 H ALA 44 0.613 -9.413 -9.700 130 HA ALA 44 HA ALA 44 3.486 -8.914 -9.372 131 1HB ALA 44 1HB ALA 44 2.071 -11.460 -8.563 132 2HB ALA 44 2HB ALA 44 2.731 -10.255 -7.457 133 3HB ALA 44 3HB ALA 44 3.811 -11.174 -8.506 134 H ALA 45 H ALA 45 4.723 -10.779 -10.557 135 HA ALA 45 HA ALA 45 3.318 -11.241 -13.111 136 1HB ALA 45 1HB ALA 45 6.260 -10.720 -12.708 137 2HB ALA 45 2HB ALA 45 5.082 -9.548 -13.298 138 3HB ALA 45 3HB ALA 45 5.448 -10.988 -14.251 139 H GLU 46 H GLU 46 2.885 -13.295 -13.416 140 HA GLU 46 HA GLU 46 3.072 -15.548 -13.593 141 1HB GLU 46 1HB GLU 46 6.034 -14.958 -13.528 142 2HB GLU 46 2HB GLU 46 5.298 -16.454 -14.086 143 1HG GLU 46 1HG GLU 46 4.887 -13.741 -15.328 144 2HG GLU 46 2HG GLU 46 5.974 -14.992 -15.932 145 H GLY 47 H GLY 47 2.665 -14.609 -10.984 146 1HA GLY 47 1HA GLY 47 4.405 -15.796 -9.090 147 2HA GLY 47 2HA GLY 47 2.740 -15.317 -8.797 148 H ASP 48 H ASP 48 1.174 -16.868 -10.126 149 HA ASP 48 HA ASP 48 1.922 -19.599 -9.319 150 1HB ASP 48 1HB ASP 48 -0.444 -20.067 -9.070 151 2HB ASP 48 2HB ASP 48 -0.046 -18.624 -8.146 152 H ILE 49 H ILE 49 1.401 -21.335 -10.661 153 HA ILE 49 HA ILE 49 1.099 -20.584 -13.494 154 HB ILE 49 HB ILE 49 1.744 -23.178 -12.457 155 1HG1 ILE 49 1HG1 ILE 49 3.633 -20.913 -13.093 156 2HG1 ILE 49 2HG1 ILE 49 3.295 -21.519 -11.475 157 1HG2 ILE 49 1HG2 ILE 49 2.816 -23.330 -14.668 158 2HG2 ILE 49 2HG2 ILE 49 2.253 -21.702 -15.043 159 3HG2 ILE 49 3HG2 ILE 49 1.088 -23.004 -14.804 160 1HD1 ILE 49 1HD1 ILE 49 4.208 -23.695 -12.109 161 2HD1 ILE 49 2HD1 ILE 49 5.388 -22.401 -12.315 162 3HD1 ILE 49 3HD1 ILE 49 4.561 -23.072 -13.721 163 H THR 50 H THR 50 -1.186 -20.295 -12.293 164 HA THR 50 HA THR 50 -3.390 -20.812 -12.390 165 HB THR 50 HB THR 50 -2.682 -23.271 -13.684 166 HG1 THR 50 HG1 THR 50 -1.735 -21.089 -14.485 167 1HG2 THR 50 1HG2 THR 50 -5.036 -21.394 -13.826 168 2HG2 THR 50 2HG2 THR 50 -5.017 -22.988 -13.073 169 3HG2 THR 50 3HG2 THR 50 -4.810 -22.835 -14.818 170 H GLY 51 H GLY 51 -4.980 -22.300 -11.381 171 1HA GLY 51 1HA GLY 51 -5.379 -24.405 -10.236 172 2HA GLY 51 2HA GLY 51 -3.710 -24.353 -9.692 173 H ARG 52 H ARG 52 -3.811 -21.524 -8.996 174 HA ARG 52 HA ARG 52 -5.013 -21.880 -6.375 175 1HB ARG 52 1HB ARG 52 -3.307 -19.609 -7.421 176 2HB ARG 52 2HB ARG 52 -3.800 -19.844 -5.750 177 1HG ARG 52 1HG ARG 52 -2.577 -22.044 -5.815 178 2HG ARG 52 2HG ARG 52 -1.917 -21.533 -7.370 179 1HD ARG 52 1HD ARG 52 -0.314 -20.973 -5.702 180 2HD ARG 52 2HD ARG 52 -1.069 -19.470 -6.232 181 HE ARG 52 HE ARG 52 -2.024 -20.830 -3.799 182 1HH1 ARG 52 1HH1 ARG 52 -0.630 -18.021 -5.371 183 2HH1 ARG 52 2HH1 ARG 52 -0.738 -17.017 -3.958 184 1HH2 ARG 52 1HH2 ARG 52 -2.128 -19.517 -1.918 185 2HH2 ARG 52 2HH2 ARG 52 -1.581 -17.868 -2.000 186 H ASP 53 H ASP 53 -6.202 -20.075 -5.383 187 HA ASP 53 HA ASP 53 -8.352 -19.309 -7.163 188 1HB ASP 53 1HB ASP 53 -8.001 -18.871 -4.186 189 2HB ASP 53 2HB ASP 53 -9.467 -18.527 -5.097 190 HA PRO 54 HA PRO 54 -6.897 -15.219 -7.997 191 1HB PRO 54 1HB PRO 54 -9.751 -14.488 -8.209 192 2HB PRO 54 2HB PRO 54 -8.473 -14.397 -9.425 193 1HG PRO 54 1HG PRO 54 -10.404 -16.244 -9.573 194 2HG PRO 54 2HG PRO 54 -8.737 -16.604 -10.062 195 1HD PRO 54 1HD PRO 54 -10.174 -17.333 -7.538 196 2HD PRO 54 2HD PRO 54 -9.050 -18.301 -8.515 197 H LYS 55 H LYS 55 -9.471 -15.771 -5.667 198 HA LYS 55 HA LYS 55 -9.256 -13.118 -4.534 199 1HB LYS 55 1HB LYS 55 -10.863 -15.535 -3.690 200 2HB LYS 55 2HB LYS 55 -10.971 -13.949 -2.937 201 1HG LYS 55 1HG LYS 55 -11.778 -12.985 -5.005 202 2HG LYS 55 2HG LYS 55 -11.597 -14.534 -5.828 203 1HD LYS 55 1HD LYS 55 -13.922 -14.166 -5.212 204 2HD LYS 55 2HD LYS 55 -13.251 -15.521 -4.305 205 1HE LYS 55 1HE LYS 55 -12.910 -14.061 -2.375 206 2HE LYS 55 2HE LYS 55 -13.576 -12.702 -3.281 207 1HZ LYS 55 1HZ LYS 55 -15.682 -13.835 -3.416 208 2HZ LYS 55 2HZ LYS 55 -15.206 -13.728 -1.790 209 3HZ LYS 55 3HZ LYS 55 -15.052 -15.195 -2.625 210 H GLN 56 H GLN 56 -6.846 -14.575 -4.446 211 HA GLN 56 HA GLN 56 -6.490 -14.800 -1.532 212 1HB GLN 56 1HB GLN 56 -6.482 -17.034 -2.724 213 2HB GLN 56 2HB GLN 56 -5.035 -16.499 -3.567 214 1HG GLN 56 1HG GLN 56 -4.397 -17.893 -1.738 215 2HG GLN 56 2HG GLN 56 -3.912 -16.236 -1.381 216 1HE2 GLN 56 1HE2 GLN 56 -7.198 -17.385 -1.152 217 2HE2 GLN 56 2HE2 GLN 56 -7.326 -17.286 0.571 218 H VAL 57 H VAL 57 -5.927 -12.870 -3.964 219 HA VAL 57 HA VAL 57 -3.039 -12.614 -3.620 220 HB VAL 57 HB VAL 57 -3.949 -12.828 -5.699 221 1HG1 VAL 57 1HG1 VAL 57 -6.040 -11.667 -5.538 222 2HG1 VAL 57 2HG1 VAL 57 -5.036 -10.879 -6.754 223 3HG1 VAL 57 3HG1 VAL 57 -5.215 -10.156 -5.156 224 1HG2 VAL 57 1HG2 VAL 57 -2.501 -10.277 -5.090 225 2HG2 VAL 57 2HG2 VAL 57 -2.642 -11.009 -6.689 226 3HG2 VAL 57 3HG2 VAL 57 -1.793 -11.862 -5.400 227 H ILE 58 H ILE 58 -4.135 -11.875 -1.382 228 HA ILE 58 HA ILE 58 -3.931 -8.952 -1.370 229 HB ILE 58 HB ILE 58 -5.259 -8.844 0.448 230 1HG1 ILE 58 1HG1 ILE 58 -4.872 -11.350 1.066 231 2HG1 ILE 58 2HG1 ILE 58 -6.403 -10.576 1.441 232 1HG2 ILE 58 1HG2 ILE 58 -7.368 -9.193 -0.741 233 2HG2 ILE 58 2HG2 ILE 58 -6.519 -10.164 -1.944 234 3HG2 ILE 58 3HG2 ILE 58 -6.145 -8.449 -1.770 235 1HD1 ILE 58 1HD1 ILE 58 -5.872 -12.385 -0.908 236 2HD1 ILE 58 2HD1 ILE 58 -7.409 -11.610 -0.532 237 3HD1 ILE 58 3HD1 ILE 58 -6.733 -12.815 0.566 238 H GLY 59 H GLY 59 -3.031 -8.081 0.518 239 1HA GLY 59 1HA GLY 59 -1.338 -9.977 2.005 240 2HA GLY 59 2HA GLY 59 -0.941 -8.286 1.726 241 H LYS 60 H LYS 60 -3.794 -7.566 2.310 242 HA LYS 60 HA LYS 60 -3.674 -7.818 5.232 243 1HB LYS 60 1HB LYS 60 -3.226 -5.550 4.485 244 2HB LYS 60 2HB LYS 60 -4.659 -5.573 3.465 245 1HG LYS 60 1HG LYS 60 -5.350 -4.337 5.293 246 2HG LYS 60 2HG LYS 60 -5.933 -5.953 5.693 247 1HD LYS 60 1HD LYS 60 -3.335 -4.779 6.683 248 2HD LYS 60 2HD LYS 60 -4.848 -4.763 7.585 249 1HE LYS 60 1HE LYS 60 -4.873 -7.131 7.756 250 2HE LYS 60 2HE LYS 60 -3.549 -7.289 6.603 251 1HZ LYS 60 1HZ LYS 60 -2.037 -6.364 8.162 252 2HZ LYS 60 2HZ LYS 60 -2.903 -7.577 8.971 253 3HZ LYS 60 3HZ LYS 60 -3.280 -5.942 9.235 254 H ASN 61 H ASN 61 -5.313 -8.978 6.047 255 HA ASN 61 HA ASN 61 -7.968 -8.653 4.857 256 1HB ASN 61 1HB ASN 61 -6.983 -10.826 4.067 257 2HB ASN 61 2HB ASN 61 -6.893 -11.340 5.748 258 1HD2 ASN 61 1HD2 ASN 61 -8.798 -11.798 6.867 259 2HD2 ASN 61 2HD2 ASN 61 -10.299 -12.061 6.046 260 H PHE 62 H PHE 62 -8.636 -7.352 6.504 261 HA PHE 62 HA PHE 62 -9.142 -8.773 9.016 262 1HB PHE 62 1HB PHE 62 -7.783 -6.158 8.679 263 2HB PHE 62 2HB PHE 62 -8.975 -6.267 9.971 264 HD1 PHE 62 HD1 PHE 62 -5.677 -6.233 9.575 265 HD2 PHE 62 HD2 PHE 62 -8.652 -8.880 11.073 266 HE1 PHE 62 HE1 PHE 62 -3.990 -7.312 11.002 267 HE2 PHE 62 HE2 PHE 62 -6.970 -9.962 12.506 268 HZ PHE 62 HZ PHE 62 -4.666 -9.138 12.537 269 H PHE 63 H PHE 63 -11.199 -8.670 9.661 270 HA PHE 63 HA PHE 63 -13.085 -7.020 8.212 271 1HB PHE 63 1HB PHE 63 -14.771 -8.135 9.688 272 2HB PHE 63 2HB PHE 63 -13.784 -9.271 8.777 273 HD1 PHE 63 HD1 PHE 63 -14.655 -8.016 12.076 274 HD2 PHE 63 HD2 PHE 63 -12.088 -10.623 9.907 275 HE1 PHE 63 HE1 PHE 63 -14.053 -9.155 14.171 276 HE2 PHE 63 HE2 PHE 63 -11.478 -11.769 11.996 277 HZ PHE 63 HZ PHE 63 -12.458 -11.035 14.132 278 H LYS 64 H LYS 64 -11.166 -6.839 10.982 279 HA LYS 64 HA LYS 64 -12.293 -4.277 11.712 280 1HB LYS 64 1HB LYS 64 -13.526 -6.047 13.048 281 2HB LYS 64 2HB LYS 64 -11.988 -6.448 13.795 282 1HG LYS 64 1HG LYS 64 -13.238 -5.034 15.270 283 2HG LYS 64 2HG LYS 64 -11.848 -4.138 14.660 284 1HD LYS 64 1HD LYS 64 -14.366 -3.887 13.128 285 2HD LYS 64 2HD LYS 64 -14.331 -3.132 14.723 286 1HE LYS 64 1HE LYS 64 -12.256 -2.678 12.585 287 2HE LYS 64 2HE LYS 64 -13.649 -1.630 12.845 288 1HZ LYS 64 1HZ LYS 64 -11.464 -0.972 13.936 289 2HZ LYS 64 2HZ LYS 64 -11.754 -2.234 15.033 290 3HZ LYS 64 3HZ LYS 64 -12.856 -0.952 14.909 291 H ASP 65 H ASP 65 -10.635 -2.929 12.129 292 HA ASP 65 HA ASP 65 -7.944 -3.881 12.130 293 1HB ASP 65 1HB ASP 65 -7.287 -1.589 12.219 294 2HB ASP 65 2HB ASP 65 -8.726 -1.652 11.205 295 H VAL 66 H VAL 66 -6.364 -3.435 13.811 296 HA VAL 66 HA VAL 66 -7.312 -2.672 16.396 297 HB VAL 66 HB VAL 66 -7.847 -4.777 16.528 298 1HG1 VAL 66 1HG1 VAL 66 -6.419 -5.642 14.671 299 2HG1 VAL 66 2HG1 VAL 66 -6.444 -6.647 16.118 300 3HG1 VAL 66 3HG1 VAL 66 -5.054 -5.618 15.790 301 1HG2 VAL 66 1HG2 VAL 66 -5.264 -4.242 17.960 302 2HG2 VAL 66 2HG2 VAL 66 -6.413 -5.513 18.376 303 3HG2 VAL 66 3HG2 VAL 66 -6.891 -3.820 18.497 304 H ALA 67 H ALA 67 -4.442 -4.236 14.885 305 HA ALA 67 HA ALA 67 -2.213 -3.932 15.307 306 1HB ALA 67 1HB ALA 67 -3.021 -1.074 14.806 307 2HB ALA 67 2HB ALA 67 -2.763 -2.294 13.560 308 3HB ALA 67 3HB ALA 67 -1.418 -1.771 14.574 309 HA PRO 68 HA PRO 68 -2.857 -2.418 19.629 310 1HB PRO 68 1HB PRO 68 -2.202 -4.656 20.963 311 2HB PRO 68 2HB PRO 68 -3.797 -4.429 20.240 312 1HG PRO 68 1HG PRO 68 -1.474 -6.019 19.244 313 2HG PRO 68 2HG PRO 68 -3.203 -6.407 19.196 314 1HD PRO 68 1HD PRO 68 -1.762 -5.397 17.069 315 2HD PRO 68 2HD PRO 68 -3.520 -5.258 17.254 316 H CYS 69 H CYS 69 -0.137 -4.261 18.339 317 HA CYS 69 HA CYS 69 1.623 -2.983 20.330 318 1HB CYS 69 1HB CYS 69 2.044 -5.588 18.856 319 2HB CYS 69 2HB CYS 69 3.079 -4.921 20.113 320 H THR 70 H THR 70 0.789 -2.664 17.188 321 HA THR 70 HA THR 70 3.517 -1.962 16.381 322 HB THR 70 HB THR 70 1.635 -3.283 14.669 323 HG1 THR 70 HG1 THR 70 3.825 -4.443 16.083 324 1HG2 THR 70 1HG2 THR 70 3.693 -3.768 13.421 325 2HG2 THR 70 2HG2 THR 70 4.607 -2.794 14.573 326 3HG2 THR 70 3HG2 THR 70 3.385 -2.037 13.550 327 H ASP 71 H ASP 71 3.684 -0.296 14.892 328 HA ASP 71 HA ASP 71 1.238 0.732 13.659 329 1HB ASP 71 1HB ASP 71 1.759 3.016 14.113 330 2HB ASP 71 2HB ASP 71 1.887 2.182 15.655 331 H SER 72 H SER 72 1.731 2.001 11.709 332 HA SER 72 HA SER 72 2.637 2.028 9.618 333 1HB SER 72 1HB SER 72 5.325 1.889 10.993 334 2HB SER 72 2HB SER 72 4.939 2.651 9.451 335 HG SER 72 HG SER 72 4.270 3.489 12.070 336 HA PRO 73 HA PRO 73 3.488 -2.589 10.174 337 1HB PRO 73 1HB PRO 73 1.105 -2.980 8.506 338 2HB PRO 73 2HB PRO 73 1.475 -3.642 10.099 339 1HG PRO 73 1HG PRO 73 -0.422 -1.763 9.739 340 2HG PRO 73 2HG PRO 73 0.568 -1.833 11.208 341 1HD PRO 73 1HD PRO 73 0.840 -0.038 8.824 342 2HD PRO 73 2HD PRO 73 0.998 0.350 10.551 343 H GLU 74 H GLU 74 1.718 -1.903 7.178 344 HA GLU 74 HA GLU 74 4.185 -2.370 5.673 345 1HB GLU 74 1HB GLU 74 1.533 -3.652 4.971 346 2HB GLU 74 2HB GLU 74 3.064 -3.874 4.132 347 1HG GLU 74 1HG GLU 74 3.975 -4.866 6.245 348 2HG GLU 74 2HG GLU 74 2.346 -4.793 6.907 349 H PHE 75 H PHE 75 4.311 -0.200 5.239 350 HA PHE 75 HA PHE 75 4.132 1.633 3.950 351 1HB PHE 75 1HB PHE 75 2.301 -0.138 2.344 352 2HB PHE 75 2HB PHE 75 2.673 1.519 1.874 353 HD1 PHE 75 HD1 PHE 75 3.828 -1.893 1.954 354 HD2 PHE 75 HD2 PHE 75 5.026 2.149 1.375 355 HE1 PHE 75 HE1 PHE 75 5.892 -2.664 0.859 356 HE2 PHE 75 HE2 PHE 75 7.092 1.387 0.278 357 HZ PHE 75 HZ PHE 75 7.527 -1.026 0.018 358 H TYR 76 H TYR 76 3.352 3.026 5.397 359 HA TYR 76 HA TYR 76 0.455 3.583 5.237 360 1HB TYR 76 1HB TYR 76 1.109 2.864 7.503 361 2HB TYR 76 2HB TYR 76 2.358 4.101 7.549 362 HD1 TYR 76 HD1 TYR 76 1.713 6.498 7.709 363 HD2 TYR 76 HD2 TYR 76 -1.175 3.385 7.983 364 HE1 TYR 76 HE1 TYR 76 0.103 8.081 8.688 365 HE2 TYR 76 HE2 TYR 76 -2.788 4.956 8.964 366 HH TYR 76 HH TYR 76 -2.530 8.213 8.814 367 H GLY 77 H GLY 77 0.119 5.384 3.985 368 1HA GLY 77 1HA GLY 77 2.142 7.530 4.215 369 2HA GLY 77 2HA GLY 77 1.488 7.040 2.656 370 H LYS 78 H LYS 78 0.614 8.362 5.809 371 HA LYS 78 HA LYS 78 -1.057 9.761 6.491 372 1HB LYS 78 1HB LYS 78 0.017 11.048 4.497 373 2HB LYS 78 2HB LYS 78 -1.421 10.573 3.609 374 1HG LYS 78 1HG LYS 78 -2.815 11.742 5.239 375 2HG LYS 78 2HG LYS 78 -1.366 12.221 6.129 376 1HD LYS 78 1HD LYS 78 -0.559 13.333 4.031 377 2HD LYS 78 2HD LYS 78 -2.144 13.011 3.326 378 1HE LYS 78 1HE LYS 78 -2.076 15.265 4.188 379 2HE LYS 78 2HE LYS 78 -3.186 14.293 5.151 380 1HZ LYS 78 1HZ LYS 78 -1.768 15.705 6.526 381 2HZ LYS 78 2HZ LYS 78 -0.386 14.939 5.905 382 3HZ LYS 78 3HZ LYS 78 -1.490 14.062 6.841 383 H PHE 79 H PHE 79 -1.687 7.102 5.923 384 HA PHE 79 HA PHE 79 -3.672 6.706 3.981 385 1HB PHE 79 1HB PHE 79 -2.131 4.991 5.112 386 2HB PHE 79 2HB PHE 79 -3.330 4.955 6.401 387 HD1 PHE 79 HD1 PHE 79 -5.495 3.989 6.057 388 HD2 PHE 79 HD2 PHE 79 -2.634 4.088 2.911 389 HE1 PHE 79 HE1 PHE 79 -6.825 2.346 4.803 390 HE2 PHE 79 HE2 PHE 79 -3.960 2.442 1.648 391 HZ PHE 79 HZ PHE 79 -6.030 1.604 2.525 392 H LYS 80 H LYS 80 -3.900 7.357 7.465 393 HA LYS 80 HA LYS 80 -6.636 6.717 7.733 394 1HB LYS 80 1HB LYS 80 -5.020 6.926 9.623 395 2HB LYS 80 2HB LYS 80 -5.028 8.669 9.390 396 1HG LYS 80 1HG LYS 80 -6.473 8.004 11.235 397 2HG LYS 80 2HG LYS 80 -7.399 8.744 9.926 398 1HD LYS 80 1HD LYS 80 -8.128 6.580 9.152 399 2HD LYS 80 2HD LYS 80 -7.097 5.769 10.335 400 1HE LYS 80 1HE LYS 80 -9.370 7.629 11.025 401 2HE LYS 80 2HE LYS 80 -9.500 5.872 10.982 402 1HZ LYS 80 1HZ LYS 80 -7.843 5.721 12.715 403 2HZ LYS 80 2HZ LYS 80 -9.124 6.711 13.227 404 3HZ LYS 80 3HZ LYS 80 -7.658 7.406 12.739 405 H GLU 81 H GLU 81 -4.943 9.662 6.828 406 HA GLU 81 HA GLU 81 -7.405 11.183 6.672 407 1HB GLU 81 1HB GLU 81 -4.541 11.782 5.973 408 2HB GLU 81 2HB GLU 81 -5.845 12.866 5.510 409 1HG GLU 81 1HG GLU 81 -6.465 13.109 7.869 410 2HG GLU 81 2HG GLU 81 -5.128 12.049 8.316 411 H GLY 82 H GLY 82 -5.318 9.348 4.610 412 1HA GLY 82 1HA GLY 82 -6.019 10.263 2.116 413 2HA GLY 82 2HA GLY 82 -5.469 8.648 2.480 414 H VAL 83 H VAL 83 -7.471 7.843 4.153 415 HA VAL 83 HA VAL 83 -9.429 6.960 2.284 416 HB VAL 83 HB VAL 83 -9.384 6.937 5.154 417 1HG1 VAL 83 1HG1 VAL 83 -10.956 5.063 4.869 418 2HG1 VAL 83 2HG1 VAL 83 -10.994 5.373 3.132 419 3HG1 VAL 83 3HG1 VAL 83 -11.629 6.575 4.255 420 1HG2 VAL 83 1HG2 VAL 83 -8.554 4.654 4.813 421 2HG2 VAL 83 2HG2 VAL 83 -7.435 5.879 4.217 422 3HG2 VAL 83 3HG2 VAL 83 -8.436 4.973 3.083 423 H ALA 84 H ALA 84 -9.532 9.226 5.016 424 HA ALA 84 HA ALA 84 -12.377 9.577 4.725 425 1HB ALA 84 1HB ALA 84 -12.230 10.993 6.691 426 2HB ALA 84 2HB ALA 84 -10.469 10.976 6.594 427 3HB ALA 84 3HB ALA 84 -11.347 9.488 6.954 428 H SER 85 H SER 85 -9.508 11.233 3.736 429 HA SER 85 HA SER 85 -10.787 13.688 3.045 430 1HB SER 85 1HB SER 85 -8.845 14.047 1.538 431 2HB SER 85 2HB SER 85 -8.342 13.572 3.161 432 HG SER 85 HG SER 85 -7.621 11.716 2.419 433 H GLY 86 H GLY 86 -10.387 10.572 1.525 434 1HA GLY 86 1HA GLY 86 -11.854 9.628 -0.035 435 2HA GLY 86 2HA GLY 86 -12.545 11.223 -0.319 436 H ASN 87 H ASN 87 -9.139 10.974 -0.283 437 HA ASN 87 HA ASN 87 -8.792 10.461 -3.055 438 1HB ASN 87 1HB ASN 87 -7.957 12.720 -3.702 439 2HB ASN 87 2HB ASN 87 -9.681 12.675 -3.374 440 1HD2 ASN 87 1HD2 ASN 87 -10.497 13.774 -1.597 441 2HD2 ASN 87 2HD2 ASN 87 -9.556 14.932 -0.713 442 H LEU 88 H LEU 88 -7.623 9.127 -1.218 443 HA LEU 88 HA LEU 88 -5.095 9.988 -0.368 444 1HB LEU 88 1HB LEU 88 -6.545 7.774 0.039 445 2HB LEU 88 2HB LEU 88 -5.435 7.155 -1.171 446 HG LEU 88 HG LEU 88 -4.621 8.524 1.340 447 1HD1 LEU 88 1HD1 LEU 88 -4.749 5.576 0.737 448 2HD1 LEU 88 2HD1 LEU 88 -5.772 6.456 1.875 449 3HD1 LEU 88 3HD1 LEU 88 -4.044 6.289 2.189 450 1HD2 LEU 88 1HD2 LEU 88 -3.032 6.917 -0.641 451 2HD2 LEU 88 2HD2 LEU 88 -2.413 7.543 0.887 452 3HD2 LEU 88 3HD2 LEU 88 -2.929 8.657 -0.377 453 H ASN 89 H ASN 89 -4.275 11.161 -2.174 454 HA ASN 89 HA ASN 89 -2.839 9.417 -4.014 455 1HB ASN 89 1HB ASN 89 -4.718 10.049 -5.361 456 2HB ASN 89 2HB ASN 89 -4.602 11.724 -4.855 457 1HD2 ASN 89 1HD2 ASN 89 -3.077 13.061 -5.817 458 2HD2 ASN 89 2HD2 ASN 89 -2.192 12.596 -7.231 459 H THR 90 H THR 90 -0.842 9.808 -3.199 460 HA THR 90 HA THR 90 0.274 12.392 -3.752 461 HB THR 90 HB THR 90 -0.694 12.719 -1.708 462 HG1 THR 90 HG1 THR 90 1.129 13.677 -0.903 463 1HG2 THR 90 1HG2 THR 90 -0.648 10.479 -0.789 464 2HG2 THR 90 2HG2 THR 90 0.208 11.598 0.271 465 3HG2 THR 90 3HG2 THR 90 1.115 10.501 -0.771 466 H MET 91 H MET 91 2.538 12.413 -3.620 467 HA MET 91 HA MET 91 3.734 9.733 -3.534 468 1HB MET 91 1HB MET 91 5.559 10.788 -4.981 469 2HB MET 91 2HB MET 91 4.018 10.455 -5.749 470 1HG MET 91 1HG MET 91 4.762 13.160 -4.674 471 2HG MET 91 2HG MET 91 5.103 12.649 -6.325 472 1HE MET 91 1HE MET 91 3.474 15.262 -5.759 473 2HE MET 91 2HE MET 91 2.123 15.099 -6.880 474 3HE MET 91 3HE MET 91 3.750 14.643 -7.387 475 H PHE 92 H PHE 92 5.359 9.359 -2.210 476 HA PHE 92 HA PHE 92 6.623 11.592 -0.800 477 1HB PHE 92 1HB PHE 92 4.708 10.956 0.582 478 2HB PHE 92 2HB PHE 92 5.211 9.270 0.540 479 HD1 PHE 92 HD1 PHE 92 6.215 12.636 1.715 480 HD2 PHE 92 HD2 PHE 92 6.703 8.428 2.131 481 HE1 PHE 92 HE1 PHE 92 7.553 12.996 3.747 482 HE2 PHE 92 HE2 PHE 92 8.035 8.780 4.170 483 HZ PHE 92 HZ PHE 92 8.440 11.057 4.997 484 H GLU 93 H GLU 93 8.752 11.244 -0.516 485 HA GLU 93 HA GLU 93 9.745 8.556 -1.119 486 1HB GLU 93 1HB GLU 93 11.101 11.261 -1.152 487 2HB GLU 93 2HB GLU 93 11.974 9.744 -1.344 488 1HG GLU 93 1HG GLU 93 10.755 9.232 -3.346 489 2HG GLU 93 2HG GLU 93 9.716 10.635 -3.124 490 H TYR 94 H TYR 94 10.317 7.311 0.497 491 HA TYR 94 HA TYR 94 10.776 8.543 3.131 492 1HB TYR 94 1HB TYR 94 8.766 7.166 3.060 493 2HB TYR 94 2HB TYR 94 9.679 5.813 2.407 494 HD1 TYR 94 HD1 TYR 94 10.618 4.232 3.845 495 HD2 TYR 94 HD2 TYR 94 9.409 7.999 5.404 496 HE1 TYR 94 HE1 TYR 94 11.058 3.424 6.124 497 HE2 TYR 94 HE2 TYR 94 9.845 7.203 7.690 498 HH TYR 94 HH TYR 94 10.002 5.087 8.906 499 H THR 95 H THR 95 12.620 8.142 4.178 500 HA THR 95 HA THR 95 14.611 6.562 2.740 501 HB THR 95 HB THR 95 16.104 7.642 4.183 502 HG1 THR 95 HG1 THR 95 15.368 9.224 5.483 503 1HG2 THR 95 1HG2 THR 95 15.936 9.747 2.939 504 2HG2 THR 95 2HG2 THR 95 14.324 9.281 2.394 505 3HG2 THR 95 3HG2 THR 95 15.730 8.339 1.898 506 H PHE 96 H PHE 96 15.965 5.114 3.799 507 HA PHE 96 HA PHE 96 15.002 4.202 6.424 508 1HB PHE 96 1HB PHE 96 16.317 2.704 4.162 509 2HB PHE 96 2HB PHE 96 16.293 2.061 5.802 510 HD1 PHE 96 HD1 PHE 96 14.326 1.086 6.712 511 HD2 PHE 96 HD2 PHE 96 14.196 3.060 2.945 512 HE1 PHE 96 HE1 PHE 96 12.088 0.155 6.307 513 HE2 PHE 96 HE2 PHE 96 11.956 2.130 2.530 514 HZ PHE 96 HZ PHE 96 10.900 0.664 4.233 515 H ASP 97 H ASP 97 16.170 5.608 7.641 516 HA ASP 97 HA ASP 97 18.925 6.179 7.204 517 1HB ASP 97 1HB ASP 97 17.233 6.668 9.667 518 2HB ASP 97 2HB ASP 97 18.789 7.412 9.319 519 H TYR 98 H TYR 98 20.540 5.924 8.962 520 HA TYR 98 HA TYR 98 21.753 4.806 10.501 521 1HB TYR 98 1HB TYR 98 19.201 3.283 11.026 522 2HB TYR 98 2HB TYR 98 20.675 3.112 11.971 523 HD1 TYR 98 HD1 TYR 98 21.455 4.961 13.391 524 HD2 TYR 98 HD2 TYR 98 17.769 5.190 11.291 525 HE1 TYR 98 HE1 TYR 98 20.765 6.836 14.819 526 HE2 TYR 98 HE2 TYR 98 17.071 7.072 12.709 527 HH TYR 98 HH TYR 98 19.264 8.639 14.899 528 H GLN 99 H GLN 99 19.806 2.751 8.387 529 HA GLN 99 HA GLN 99 21.540 0.501 8.581 530 1HB GLN 99 1HB GLN 99 19.564 1.151 6.389 531 2HB GLN 99 2HB GLN 99 20.237 -0.431 6.761 532 1HG GLN 99 1HG GLN 99 19.134 -0.303 8.990 533 2HG GLN 99 2HG GLN 99 18.361 1.190 8.464 534 1HE2 GLN 99 1HE2 GLN 99 16.307 0.392 8.617 535 2HE2 GLN 99 2HE2 GLN 99 15.681 -0.804 7.527 536 H MET 100 H MET 100 22.942 -0.338 6.996 537 HA MET 100 HA MET 100 24.737 1.569 5.963 538 1HB MET 100 1HB MET 100 25.430 -0.680 6.656 539 2HB MET 100 2HB MET 100 24.505 -1.379 5.334 540 1HG MET 100 1HG MET 100 25.947 -0.197 3.732 541 2HG MET 100 2HG MET 100 26.894 0.430 5.080 542 1HE MET 100 1HE MET 100 29.113 -0.522 4.017 543 2HE MET 100 2HE MET 100 28.191 -1.140 2.646 544 3HE MET 100 3HE MET 100 29.316 -2.196 3.498 545 H THR 101 H THR 101 22.160 -0.298 4.463 546 HA THR 101 HA THR 101 22.906 0.478 1.792 547 HB THR 101 HB THR 101 20.341 -0.479 2.617 548 HG1 THR 101 HG1 THR 101 22.841 -1.643 2.927 549 1HG2 THR 101 1HG2 THR 101 20.665 0.095 0.276 550 2HG2 THR 101 2HG2 THR 101 20.546 -1.654 0.480 551 3HG2 THR 101 3HG2 THR 101 22.119 -0.899 0.224 552 HA PRO 102 HA PRO 102 20.658 4.342 2.015 553 1HB PRO 102 1HB PRO 102 21.068 5.156 -0.513 554 2HB PRO 102 2HB PRO 102 22.373 5.130 0.680 555 1HG PRO 102 1HG PRO 102 21.750 3.166 -1.489 556 2HG PRO 102 2HG PRO 102 23.321 3.815 -0.984 557 1HD PRO 102 1HD PRO 102 22.367 1.365 -0.218 558 2HD PRO 102 2HD PRO 102 23.521 2.316 0.737 559 H THR 103 H THR 103 19.083 2.007 1.733 560 HA THR 103 HA THR 103 17.489 1.985 -0.590 561 HB THR 103 HB THR 103 16.854 1.192 2.101 562 HG1 THR 103 HG1 THR 103 18.263 0.010 -0.077 563 1HG2 THR 103 1HG2 THR 103 15.791 0.360 -0.595 564 2HG2 THR 103 2HG2 THR 103 14.913 1.285 0.623 565 3HG2 THR 103 3HG2 THR 103 15.382 -0.384 0.949 566 H LYS 104 H LYS 104 16.679 3.958 -1.102 567 HA LYS 104 HA LYS 104 14.765 5.153 0.773 568 1HB LYS 104 1HB LYS 104 16.459 6.635 -0.353 569 2HB LYS 104 2HB LYS 104 15.721 6.216 -1.894 570 1HG LYS 104 1HG LYS 104 13.543 7.083 -0.845 571 2HG LYS 104 2HG LYS 104 14.594 7.837 0.352 572 1HD LYS 104 1HD LYS 104 14.116 9.431 -1.390 573 2HD LYS 104 2HD LYS 104 15.815 8.959 -1.495 574 1HE LYS 104 1HE LYS 104 15.340 7.471 -3.328 575 2HE LYS 104 2HE LYS 104 13.608 7.748 -3.157 576 1HZ LYS 104 1HZ LYS 104 14.003 10.095 -3.726 577 2HZ LYS 104 2HZ LYS 104 14.438 9.033 -4.974 578 3HZ LYS 104 3HZ LYS 104 15.641 9.741 -4.009 579 H VAL 105 H VAL 105 12.620 4.827 0.446 580 HA VAL 105 HA VAL 105 11.850 3.629 -2.103 581 HB VAL 105 HB VAL 105 9.823 3.194 -1.144 582 1HG1 VAL 105 1HG1 VAL 105 10.683 1.383 0.271 583 2HG1 VAL 105 2HG1 VAL 105 12.261 2.172 0.313 584 3HG1 VAL 105 3HG1 VAL 105 11.623 1.552 -1.211 585 1HG2 VAL 105 1HG2 VAL 105 9.704 4.915 0.548 586 2HG2 VAL 105 2HG2 VAL 105 11.103 4.229 1.375 587 3HG2 VAL 105 3HG2 VAL 105 9.595 3.318 1.290 588 H LYS 106 H LYS 106 9.899 4.330 -3.097 589 HA LYS 106 HA LYS 106 9.186 7.115 -2.542 590 1HB LYS 106 1HB LYS 106 10.883 7.131 -4.324 591 2HB LYS 106 2HB LYS 106 9.919 5.997 -5.258 592 1HG LYS 106 1HG LYS 106 8.170 7.653 -5.523 593 2HG LYS 106 2HG LYS 106 9.069 8.789 -4.513 594 1HD LYS 106 1HD LYS 106 10.895 8.792 -6.140 595 2HD LYS 106 2HD LYS 106 10.009 7.647 -7.148 596 1HE LYS 106 1HE LYS 106 9.764 9.906 -8.009 597 2HE LYS 106 2HE LYS 106 8.215 9.299 -7.425 598 1HZ LYS 106 1HZ LYS 106 8.653 11.605 -6.756 599 2HZ LYS 106 2HZ LYS 106 10.017 11.097 -5.886 600 3HZ LYS 106 3HZ LYS 106 8.471 10.579 -5.420 601 H VAL 107 H VAL 107 7.116 6.905 -1.989 602 HA VAL 107 HA VAL 107 5.498 4.951 -3.455 603 HB VAL 107 HB VAL 107 3.775 5.713 -1.922 604 1HG1 VAL 107 1HG1 VAL 107 4.566 3.987 -0.363 605 2HG1 VAL 107 2HG1 VAL 107 6.174 4.060 -1.085 606 3HG1 VAL 107 3HG1 VAL 107 4.804 3.490 -2.039 607 1HG2 VAL 107 1HG2 VAL 107 4.558 6.420 0.227 608 2HG2 VAL 107 2HG2 VAL 107 5.045 7.605 -0.984 609 3HG2 VAL 107 3HG2 VAL 107 6.226 6.466 -0.338 610 H HIS 108 H HIS 108 3.798 5.425 -4.654 611 HA HIS 108 HA HIS 108 2.610 8.073 -4.297 612 1HB HIS 108 1HB HIS 108 3.864 8.052 -6.465 613 2HB HIS 108 2HB HIS 108 2.860 6.703 -6.989 614 HD1 HIS 108 HD1 HIS 108 1.201 7.560 -8.620 615 HD2 HIS 108 HD2 HIS 108 1.814 10.223 -5.486 616 HE1 HIS 108 HE1 HIS 108 -0.360 9.485 -9.045 617 HE2 HIS 108 HE2 HIS 108 0.188 11.178 -7.262 618 H MET 109 H MET 109 0.929 7.480 -3.170 619 HA MET 109 HA MET 109 -0.647 5.154 -3.968 620 1HB MET 109 1HB MET 109 -0.998 7.084 -1.655 621 2HB MET 109 2HB MET 109 -1.999 5.675 -1.955 622 1HG MET 109 1HG MET 109 -0.501 5.061 -0.260 623 2HG MET 109 2HG MET 109 0.086 4.286 -1.729 624 1HE MET 109 1HE MET 109 0.643 7.225 0.842 625 2HE MET 109 2HE MET 109 0.390 8.057 -0.693 626 3HE MET 109 3HE MET 109 1.976 8.093 0.078 627 H LYS 110 H LYS 110 -2.779 5.366 -4.749 628 HA LYS 110 HA LYS 110 -3.690 8.096 -5.134 629 1HB LYS 110 1HB LYS 110 -4.045 7.858 -7.539 630 2HB LYS 110 2HB LYS 110 -2.343 7.756 -7.124 631 1HG LYS 110 1HG LYS 110 -2.196 5.535 -7.691 632 2HG LYS 110 2HG LYS 110 -3.918 5.241 -7.421 633 1HD LYS 110 1HD LYS 110 -3.325 5.209 -9.816 634 2HD LYS 110 2HD LYS 110 -4.476 6.488 -9.427 635 1HE LYS 110 1HE LYS 110 -2.426 8.009 -9.218 636 2HE LYS 110 2HE LYS 110 -1.545 6.717 -10.032 637 1HZ LYS 110 1HZ LYS 110 -2.317 8.356 -11.611 638 2HZ LYS 110 2HZ LYS 110 -3.915 8.155 -11.095 639 3HZ LYS 110 3HZ LYS 110 -3.114 6.883 -11.882 640 H LYS 111 H LYS 111 -5.784 8.256 -4.853 641 HA LYS 111 HA LYS 111 -7.611 6.263 -4.563 642 1HB LYS 111 1HB LYS 111 -8.044 8.529 -4.040 643 2HB LYS 111 2HB LYS 111 -7.763 9.041 -5.688 644 1HG LYS 111 1HG LYS 111 -9.808 7.813 -6.378 645 2HG LYS 111 2HG LYS 111 -10.119 7.466 -4.671 646 1HD LYS 111 1HD LYS 111 -10.295 9.797 -4.162 647 2HD LYS 111 2HD LYS 111 -9.756 10.243 -5.780 648 1HE LYS 111 1HE LYS 111 -12.152 10.530 -5.592 649 2HE LYS 111 2HE LYS 111 -11.789 9.219 -6.712 650 1HZ LYS 111 1HZ LYS 111 -13.626 8.782 -5.103 651 2HZ LYS 111 2HZ LYS 111 -12.468 8.759 -3.861 652 3HZ LYS 111 3HZ LYS 111 -12.395 7.621 -5.114 653 H ALA 112 H ALA 112 -8.121 4.671 -5.874 654 HA ALA 112 HA ALA 112 -7.214 4.278 -8.434 655 1HB ALA 112 1HB ALA 112 -9.758 3.148 -7.271 656 2HB ALA 112 2HB ALA 112 -8.136 2.513 -6.994 657 3HB ALA 112 3HB ALA 112 -8.831 2.480 -8.614 658 H LEU 113 H LEU 113 -7.965 4.639 -10.478 659 HA LEU 113 HA LEU 113 -9.536 6.961 -10.862 660 1HB LEU 113 1HB LEU 113 -8.728 4.877 -12.889 661 2HB LEU 113 2HB LEU 113 -9.289 6.499 -13.245 662 HG LEU 113 HG LEU 113 -6.716 5.784 -11.836 663 1HD1 LEU 113 1HD1 LEU 113 -7.233 6.955 -14.566 664 2HD1 LEU 113 2HD1 LEU 113 -6.690 5.311 -14.234 665 3HD1 LEU 113 3HD1 LEU 113 -5.650 6.680 -13.838 666 1HD2 LEU 113 1HD2 LEU 113 -7.676 7.857 -10.980 667 2HD2 LEU 113 2HD2 LEU 113 -7.837 8.470 -12.626 668 3HD2 LEU 113 3HD2 LEU 113 -6.236 8.177 -11.947 669 H SER 114 H SER 114 -10.362 3.688 -10.480 670 HA SER 114 HA SER 114 -12.787 3.549 -11.881 671 1HB SER 114 1HB SER 114 -12.223 2.203 -9.236 672 2HB SER 114 2HB SER 114 -13.236 1.619 -10.558 673 HG SER 114 HG SER 114 -11.533 0.814 -11.490 674 H GLY 115 H GLY 115 -12.191 4.235 -8.438 675 1HA GLY 115 1HA GLY 115 -13.853 6.419 -8.167 676 2HA GLY 115 2HA GLY 115 -14.874 5.009 -7.899 677 H ASP 116 H ASP 116 -14.083 3.432 -6.277 678 HA ASP 116 HA ASP 116 -12.909 4.848 -3.992 679 1HB ASP 116 1HB ASP 116 -15.063 3.429 -3.840 680 2HB ASP 116 2HB ASP 116 -13.995 2.034 -3.950 681 H SER 117 H SER 117 -11.785 2.734 -2.662 682 HA SER 117 HA SER 117 -9.809 1.735 -2.325 683 1HB SER 117 1HB SER 117 -8.856 0.301 -4.138 684 2HB SER 117 2HB SER 117 -10.523 -0.031 -3.700 685 HG SER 117 HG SER 117 -10.412 1.762 -5.718 686 H TYR 118 H TYR 118 -7.524 1.799 -2.676 687 HA TYR 118 HA TYR 118 -6.610 4.086 -4.280 688 1HB TYR 118 1HB TYR 118 -5.806 3.674 -1.381 689 2HB TYR 118 2HB TYR 118 -5.363 5.019 -2.430 690 HD1 TYR 118 HD1 TYR 118 -7.804 3.680 -0.180 691 HD2 TYR 118 HD2 TYR 118 -7.089 6.659 -3.100 692 HE1 TYR 118 HE1 TYR 118 -9.752 4.937 0.655 693 HE2 TYR 118 HE2 TYR 118 -9.039 7.940 -2.291 694 HH TYR 118 HH TYR 118 -11.109 7.565 -1.047 695 H TRP 119 H TRP 119 -4.565 3.800 -5.153 696 HA TRP 119 HA TRP 119 -3.498 1.113 -4.886 697 1HB TRP 119 1HB TRP 119 -2.891 3.394 -6.758 698 2HB TRP 119 2HB TRP 119 -2.040 1.839 -6.792 699 HD1 TRP 119 HD1 TRP 119 -5.707 3.116 -7.098 700 HE1 TRP 119 HE1 TRP 119 -6.888 1.599 -8.834 701 HE3 TRP 119 HE3 TRP 119 -1.874 -0.073 -8.127 702 HZ2 TRP 119 HZ2 TRP 119 -6.246 -0.665 -10.423 703 HZ3 TRP 119 HZ3 TRP 119 -2.204 -1.856 -9.738 704 HH2 TRP 119 HH2 TRP 119 -4.347 -2.162 -10.884 705 H VAL 120 H VAL 120 -1.204 0.829 -4.850 706 HA VAL 120 HA VAL 120 0.326 2.947 -3.502 707 HB VAL 120 HB VAL 120 0.349 0.123 -2.926 708 1HG1 VAL 120 1HG1 VAL 120 1.850 0.835 -1.104 709 2HG1 VAL 120 2HG1 VAL 120 1.838 2.475 -1.754 710 3HG1 VAL 120 3HG1 VAL 120 2.540 1.159 -2.694 711 1HG2 VAL 120 1HG2 VAL 120 -0.559 0.782 -0.767 712 2HG2 VAL 120 2HG2 VAL 120 -1.671 1.174 -2.077 713 3HG2 VAL 120 3HG2 VAL 120 -0.704 2.446 -1.331 714 H PHE 121 H PHE 121 1.500 3.425 -5.335 715 HA PHE 121 HA PHE 121 3.069 1.251 -6.549 716 1HB PHE 121 1HB PHE 121 2.905 4.172 -7.329 717 2HB PHE 121 2HB PHE 121 3.731 2.908 -8.221 718 HD1 PHE 121 HD1 PHE 121 0.582 4.539 -7.571 719 HD2 PHE 121 HD2 PHE 121 2.406 1.125 -9.336 720 HE1 PHE 121 HE1 PHE 121 -1.480 4.095 -8.835 721 HE2 PHE 121 HE2 PHE 121 0.347 0.676 -10.606 722 HZ PHE 121 HZ PHE 121 -1.573 2.198 -10.408 723 H VAL 122 H VAL 122 5.104 0.917 -5.815 724 HA VAL 122 HA VAL 122 6.422 3.159 -4.448 725 HB VAL 122 HB VAL 122 5.562 1.631 -2.987 726 1HG1 VAL 122 1HG1 VAL 122 6.578 -0.593 -2.799 727 2HG1 VAL 122 2HG1 VAL 122 7.438 -0.317 -4.315 728 3HG1 VAL 122 3HG1 VAL 122 5.677 -0.400 -4.303 729 1HG2 VAL 122 1HG2 VAL 122 7.498 2.945 -2.411 730 2HG2 VAL 122 2HG2 VAL 122 8.557 1.735 -3.132 731 3HG2 VAL 122 3HG2 VAL 122 7.608 1.332 -1.702 732 H LYS 123 H LYS 123 8.619 3.360 -4.683 733 HA LYS 123 HA LYS 123 9.954 1.489 -6.499 734 1HB LYS 123 1HB LYS 123 10.402 4.474 -6.348 735 2HB LYS 123 2HB LYS 123 11.214 3.358 -7.436 736 1HG LYS 123 1HG LYS 123 9.089 2.898 -8.551 737 2HG LYS 123 2HG LYS 123 8.277 4.023 -7.459 738 1HD LYS 123 1HD LYS 123 8.751 5.105 -9.578 739 2HD LYS 123 2HD LYS 123 9.715 5.838 -8.294 740 1HE LYS 123 1HE LYS 123 11.641 4.481 -8.980 741 2HE LYS 123 2HE LYS 123 10.674 3.767 -10.270 742 1HZ LYS 123 1HZ LYS 123 10.377 6.081 -11.137 743 2HZ LYS 123 2HZ LYS 123 11.962 5.481 -11.224 744 3HZ LYS 123 3HZ LYS 123 11.548 6.593 -10.017 745 H ARG 124 H ARG 124 11.578 0.488 -5.456 746 HA ARG 124 HA ARG 124 12.855 1.919 -3.215 747 1HB ARG 124 1HB ARG 124 13.354 -0.257 -2.227 748 2HB ARG 124 2HB ARG 124 11.624 -0.087 -2.483 749 1HG ARG 124 1HG ARG 124 11.546 -1.762 -3.992 750 2HG ARG 124 2HG ARG 124 13.128 -1.371 -4.669 751 1HD ARG 124 1HD ARG 124 12.686 -2.699 -1.998 752 2HD ARG 124 2HD ARG 124 13.055 -3.561 -3.492 753 HE ARG 124 HE ARG 124 15.104 -1.855 -3.367 754 1HH1 ARG 124 1HH1 ARG 124 13.727 -3.958 -0.934 755 2HH1 ARG 124 2HH1 ARG 124 15.207 -4.095 -0.029 756 1HH2 ARG 124 1HH2 ARG 124 17.064 -2.051 -2.229 757 2HH2 ARG 124 2HH2 ARG 124 17.126 -3.044 -0.792 758 H VAL 125 H VAL 125 15.090 1.636 -2.927 759 HA VAL 125 HA VAL 125 16.505 0.362 -5.155 760 HB VAL 125 HB VAL 125 16.766 2.505 -5.444 761 1HG1 VAL 125 1HG1 VAL 125 17.520 2.747 -2.537 762 2HG1 VAL 125 2HG1 VAL 125 16.074 3.399 -3.306 763 3HG1 VAL 125 3HG1 VAL 125 17.663 4.031 -3.738 764 1HG2 VAL 125 1HG2 VAL 125 18.735 1.171 -5.769 765 2HG2 VAL 125 2HG2 VAL 125 19.182 1.367 -4.074 766 3HG2 VAL 125 3HG2 VAL 125 19.176 2.763 -5.153 767 H2 HC4 169 H2 HC4 169 0.762 -7.536 18.743 768 H3 HC4 169 H3 HC4 169 1.294 -9.448 17.884 769 H2' HC4 169 H2' HC4 169 2.228 -11.661 17.696 770 H3' HC4 169 H3' HC4 169 3.578 -13.545 18.502 771 H5' HC4 169 H5' HC4 169 4.308 -11.450 22.137 772 H6' HC4 169 H6' HC4 169 2.989 -9.556 21.306 773 'HO4 HC4 169 'HO4 HC4 169 5.383 -13.958 20.165
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