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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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604619 |
2mx2 ![]() ![]() |
25382 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 6 H LYS 6 12.510 12.142 -8.232 2 HA LYS 6 HA LYS 6 13.456 11.797 -5.475 3 HB2 LYS 6 2HB LYS 6 12.690 14.168 -5.190 4 HB3 LYS 6 1HB LYS 6 13.982 13.959 -6.363 5 HG2 LYS 6 2HG LYS 6 12.735 14.722 -8.051 6 HG3 LYS 6 1HG LYS 6 11.310 13.819 -7.532 7 HD2 LYS 6 2HD LYS 6 10.442 15.778 -6.910 8 HD3 LYS 6 1HD LYS 6 11.612 15.775 -5.589 9 HE2 LYS 6 2HE LYS 6 11.945 17.030 -8.310 10 HE3 LYS 6 1HE LYS 6 11.751 17.869 -6.771 11 HZ1 LYS 6 3HZ LYS 6 14.005 17.946 -7.039 12 HZ2 LYS 6 1HZ LYS 6 14.092 16.453 -7.832 13 HZ3 LYS 6 2HZ LYS 6 13.871 16.509 -6.156 14 H GLU 7 H GLU 7 12.024 10.296 -4.677 15 HA GLU 7 HA GLU 7 9.225 11.190 -4.471 16 HB2 GLU 7 2HB GLU 7 8.683 8.688 -4.405 17 HB3 GLU 7 1HB GLU 7 9.099 9.384 -5.963 18 HG2 GLU 7 2HG GLU 7 11.118 8.001 -4.229 19 HG3 GLU 7 1HG GLU 7 10.115 7.141 -5.393 20 H LYS 8 H LYS 8 8.225 9.357 -2.718 21 HA LYS 8 HA LYS 8 9.794 9.929 -0.308 22 HB2 LYS 8 2HB LYS 8 7.700 9.539 0.922 23 HB3 LYS 8 1HB LYS 8 7.524 10.807 -0.281 24 HG2 LYS 8 2HG LYS 8 6.760 8.564 -1.653 25 HG3 LYS 8 1HG LYS 8 6.156 8.249 -0.029 26 HD2 LYS 8 2HD LYS 8 5.287 10.709 -0.195 27 HD3 LYS 8 1HD LYS 8 5.444 10.438 -1.932 28 HE2 LYS 8 2HE LYS 8 4.017 8.443 -1.726 29 HE3 LYS 8 1HE LYS 8 3.829 8.771 -0.004 30 HZ1 LYS 8 3HZ LYS 8 3.013 11.068 -0.871 31 HZ2 LYS 8 1HZ LYS 8 1.960 9.743 -0.865 32 HZ3 LYS 8 2HZ LYS 8 2.714 10.219 -2.303 33 H LYS 9 H LYS 9 9.801 8.296 1.399 34 HA LYS 9 HA LYS 9 9.873 5.571 0.282 35 HB2 LYS 9 2HB LYS 9 12.102 6.366 0.858 36 HB3 LYS 9 1HB LYS 9 11.562 6.784 2.478 37 HG2 LYS 9 2HG LYS 9 11.012 4.014 1.863 38 HG3 LYS 9 1HG LYS 9 12.722 4.399 1.665 39 HD2 LYS 9 2HD LYS 9 11.531 5.537 4.082 40 HD3 LYS 9 1HD LYS 9 11.495 3.774 4.035 41 HE2 LYS 9 2HE LYS 9 13.958 5.441 3.551 42 HE3 LYS 9 1HE LYS 9 13.535 4.721 5.103 43 HZ1 LYS 9 3HZ LYS 9 15.109 3.504 3.414 44 HZ2 LYS 9 1HZ LYS 9 13.642 2.972 2.759 45 HZ3 LYS 9 2HZ LYS 9 14.019 2.636 4.374 46 H ILE 10 H ILE 10 8.834 3.962 1.350 47 HA ILE 10 HA ILE 10 7.672 4.548 3.973 48 HB ILE 10 HB ILE 10 5.818 3.089 2.239 49 HG12 ILE 10 2HG1 ILE 10 6.618 5.927 1.582 50 HG13 ILE 10 1HG1 ILE 10 6.508 4.553 0.491 51 HG21 ILE 10 1HG2 ILE 10 5.200 3.793 4.451 52 HG22 ILE 10 2HG2 ILE 10 4.224 4.683 3.283 53 HG23 ILE 10 3HG2 ILE 10 5.591 5.471 4.073 54 HD11 ILE 10 3HD1 ILE 10 4.258 6.097 1.742 55 HD12 ILE 10 1HD1 ILE 10 4.033 4.569 0.891 56 HD13 ILE 10 2HD1 ILE 10 4.676 5.970 0.033 57 H ARG 11 H ARG 11 6.773 2.578 5.026 58 HA ARG 11 HA ARG 11 8.471 0.274 4.365 59 HB2 ARG 11 2HB ARG 11 8.766 1.233 6.606 60 HB3 ARG 11 1HB ARG 11 7.062 0.967 6.947 61 HG2 ARG 11 2HG ARG 11 7.416 -1.458 6.688 62 HG3 ARG 11 1HG ARG 11 9.137 -1.154 6.443 63 HD2 ARG 11 2HD ARG 11 7.540 -0.470 8.909 64 HD3 ARG 11 1HD ARG 11 8.684 -1.802 8.749 65 HE ARG 11 HE ARG 11 9.957 0.638 8.127 66 HH11 ARG 11 1HH1 ARG 11 8.701 -1.152 10.848 67 HH12 ARG 11 2HH1 ARG 11 9.796 -0.437 11.984 68 HH21 ARG 11 1HH2 ARG 11 11.398 1.578 9.620 69 HH22 ARG 11 2HH2 ARG 11 11.327 1.114 11.286 70 H ILE 12 H ILE 12 7.611 -1.873 4.562 71 HA ILE 12 HA ILE 12 4.686 -2.064 4.375 72 HB ILE 12 HB ILE 12 6.571 -3.509 2.512 73 HG12 ILE 12 2HG1 ILE 12 4.573 -1.545 1.509 74 HG13 ILE 12 1HG1 ILE 12 6.029 -0.901 2.259 75 HG21 ILE 12 1HG2 ILE 12 4.675 -4.854 2.905 76 HG22 ILE 12 2HG2 ILE 12 4.390 -4.058 1.357 77 HG23 ILE 12 3HG2 ILE 12 3.584 -3.473 2.812 78 HD11 ILE 12 3HD1 ILE 12 5.934 -2.798 -0.075 79 HD12 ILE 12 1HD1 ILE 12 7.397 -2.172 0.682 80 HD13 ILE 12 2HD1 ILE 12 6.291 -1.074 -0.144 81 H THR 13 H THR 13 3.807 -4.055 5.014 82 HA THR 13 HA THR 13 5.587 -6.142 5.943 83 HB THR 13 HB THR 13 3.620 -5.220 7.973 84 HG1 THR 13 1HG THR 13 5.205 -3.788 8.804 85 HG21 THR 13 3HG2 THR 13 5.963 -6.913 7.848 86 HG22 THR 13 1HG2 THR 13 4.653 -6.869 9.026 87 HG23 THR 13 2HG2 THR 13 6.017 -5.762 9.183 88 H THR 14 H THR 14 4.731 -7.993 5.261 89 HA THR 14 HA THR 14 1.878 -8.115 4.717 90 HB THR 14 HB THR 14 2.287 -9.828 3.269 91 HG1 THR 14 1HG THR 14 4.239 -10.613 5.109 92 HG21 THR 14 3HG2 THR 14 5.094 -8.784 3.386 93 HG22 THR 14 1HG2 THR 14 3.756 -7.908 2.643 94 HG23 THR 14 2HG2 THR 14 4.245 -9.477 2.004 95 H ASN 15 H ASN 15 0.463 -9.477 5.610 96 HA ASN 15 HA ASN 15 0.580 -10.103 8.279 97 HB2 ASN 15 2HB ASN 15 -1.307 -11.708 7.781 98 HB3 ASN 15 1HB ASN 15 -1.536 -10.071 7.175 99 HD21 ASN 15 1HD2 ASN 15 -3.057 -11.963 6.102 100 HD22 ASN 15 2HD2 ASN 15 -2.538 -12.357 4.501 101 H ASP 16 H ASP 16 1.832 -11.936 5.590 102 HA ASP 16 HA ASP 16 2.009 -14.459 6.788 103 HB2 ASP 16 2HB ASP 16 3.187 -13.119 4.472 104 HB3 ASP 16 1HB ASP 16 4.260 -14.317 5.191 105 H GLY 17 H GLY 17 3.736 -11.556 7.407 106 HA2 GLY 17 2HA GLY 17 4.898 -11.399 9.527 107 HA3 GLY 17 1HA GLY 17 5.477 -13.037 9.267 108 H ARG 18 H ARG 18 5.433 -10.635 6.711 109 HA ARG 18 HA ARG 18 8.354 -10.360 7.006 110 HB2 ARG 18 2HB ARG 18 8.784 -10.851 4.773 111 HB3 ARG 18 1HB ARG 18 7.558 -12.031 5.207 112 HG2 ARG 18 2HG ARG 18 5.857 -10.529 4.191 113 HG3 ARG 18 1HG ARG 18 7.173 -9.505 3.626 114 HD2 ARG 18 2HD ARG 18 6.482 -11.010 1.862 115 HD3 ARG 18 1HD ARG 18 8.108 -11.412 2.404 116 HE ARG 18 HE ARG 18 7.315 -13.405 3.276 117 HH11 ARG 18 1HH1 ARG 18 4.649 -11.437 2.167 118 HH12 ARG 18 2HH1 ARG 18 3.524 -12.752 2.157 119 HH21 ARG 18 1HH2 ARG 18 5.837 -15.132 3.253 120 HH22 ARG 18 2HH2 ARG 18 4.200 -14.850 2.761 121 H GLN 19 H GLN 19 9.276 -8.461 5.970 122 HA GLN 19 HA GLN 19 7.380 -6.361 5.253 123 HB2 GLN 19 2HB GLN 19 8.866 -4.827 6.803 124 HB3 GLN 19 1HB GLN 19 7.484 -5.699 7.445 125 HG2 GLN 19 2HG GLN 19 9.214 -6.009 8.995 126 HG3 GLN 19 1HG GLN 19 9.101 -7.525 8.101 127 HE21 GLN 19 1HE2 GLN 19 10.692 -4.395 7.569 128 HE22 GLN 19 2HE2 GLN 19 12.255 -5.053 7.240 129 H SER 20 H SER 20 8.374 -4.486 4.288 130 HA SER 20 HA SER 20 11.143 -4.476 3.600 131 HB2 SER 20 2HB SER 20 9.153 -5.114 1.409 132 HB3 SER 20 1HB SER 20 10.860 -4.753 1.170 133 HG SER 20 HG SER 20 11.387 -6.628 2.271 134 H MET 21 H MET 21 11.782 -2.532 2.617 135 HA MET 21 HA MET 21 9.790 -0.407 2.825 136 HB2 MET 21 2HB MET 21 11.572 1.120 3.047 137 HB3 MET 21 1HB MET 21 12.060 -0.288 3.977 138 HG2 MET 21 2HG MET 21 12.942 -0.016 1.139 139 HG3 MET 21 1HG MET 21 13.749 0.906 2.404 140 HE1 MET 21 3HE MET 21 14.472 -2.233 0.389 141 HE2 MET 21 1HE MET 21 12.790 -2.352 0.902 142 HE3 MET 21 2HE MET 21 13.975 -3.519 1.489 143 H VAL 22 H VAL 22 9.767 1.315 1.224 144 HA VAL 22 HA VAL 22 10.646 0.535 -1.448 145 HB VAL 22 HB VAL 22 8.337 1.184 -2.311 146 HG11 VAL 22 1HG1 VAL 22 7.502 -1.065 -2.116 147 HG12 VAL 22 2HG1 VAL 22 8.529 -1.360 -0.712 148 HG13 VAL 22 3HG1 VAL 22 9.255 -1.112 -2.300 149 HG21 VAL 22 3HG2 VAL 22 7.545 0.526 0.519 150 HG22 VAL 22 1HG2 VAL 22 6.465 0.916 -0.820 151 HG23 VAL 22 2HG2 VAL 22 7.550 2.148 -0.174 152 H THR 23 H THR 23 10.028 2.316 -3.055 153 HA THR 23 HA THR 23 10.453 4.936 -1.773 154 HB THR 23 HB THR 23 12.362 4.042 -3.141 155 HG1 THR 23 1HG THR 23 11.853 6.342 -2.868 156 HG21 THR 23 3HG2 THR 23 11.338 4.778 -5.698 157 HG22 THR 23 1HG2 THR 23 10.350 3.489 -5.015 158 HG23 THR 23 2HG2 THR 23 12.090 3.266 -5.189 159 H LEU 24 H LEU 24 7.896 4.166 -1.956 160 HA LEU 24 HA LEU 24 6.372 4.435 -4.166 161 HB2 LEU 24 2HB LEU 24 5.935 4.583 -1.418 162 HB3 LEU 24 1HB LEU 24 5.239 6.062 -2.051 163 HG LEU 24 HG LEU 24 3.829 4.773 -3.573 164 HD11 LEU 24 1HD1 LEU 24 4.062 2.586 -3.998 165 HD12 LEU 24 2HD1 LEU 24 4.373 2.188 -2.308 166 HD13 LEU 24 3HD1 LEU 24 5.679 2.794 -3.325 167 HD21 LEU 24 3HD2 LEU 24 2.278 4.020 -1.984 168 HD22 LEU 24 1HD2 LEU 24 3.196 5.278 -1.155 169 HD23 LEU 24 2HD2 LEU 24 3.541 3.579 -0.834 170 H LYS 25 H LYS 25 5.825 5.946 -5.609 171 HA LYS 25 HA LYS 25 7.244 8.422 -5.663 172 HB2 LYS 25 2HB LYS 25 5.778 6.799 -7.511 173 HB3 LYS 25 1HB LYS 25 5.180 8.449 -7.604 174 HG2 LYS 25 2HG LYS 25 8.097 7.742 -7.771 175 HG3 LYS 25 1HG LYS 25 7.043 7.874 -9.180 176 HD2 LYS 25 2HD LYS 25 7.661 10.055 -7.187 177 HD3 LYS 25 1HD LYS 25 8.254 9.949 -8.845 178 HE2 LYS 25 2HE LYS 25 5.489 9.743 -9.071 179 HE3 LYS 25 1HE LYS 25 5.743 10.976 -7.838 180 HZ1 LYS 25 3HZ LYS 25 7.042 10.993 -10.507 181 HZ2 LYS 25 1HZ LYS 25 7.103 12.219 -9.342 182 HZ3 LYS 25 2HZ LYS 25 5.645 11.865 -10.122 183 H SER 26 H SER 26 6.277 10.536 -5.833 184 HA SER 26 HA SER 26 4.532 11.156 -3.757 185 HB2 SER 26 2HB SER 26 5.304 12.713 -6.227 186 HB3 SER 26 1HB SER 26 4.310 13.393 -4.938 187 HG SER 26 HG SER 26 6.950 13.211 -5.040 188 H SER 27 H SER 27 3.860 10.942 -7.245 189 HA SER 27 HA SER 27 0.998 11.160 -6.705 190 HB2 SER 27 2HB SER 27 2.245 10.870 -9.431 191 HB3 SER 27 1HB SER 27 0.703 11.609 -9.001 192 HG SER 27 HG SER 27 1.842 13.308 -8.040 193 H THR 28 H THR 28 2.211 8.831 -5.743 194 HA THR 28 HA THR 28 1.649 6.709 -7.644 195 HB THR 28 HB THR 28 2.750 6.759 -4.839 196 HG1 THR 28 1HG THR 28 3.857 5.795 -7.260 197 HG21 THR 28 3HG2 THR 28 1.474 4.525 -6.150 198 HG22 THR 28 1HG2 THR 28 2.080 4.675 -4.502 199 HG23 THR 28 2HG2 THR 28 3.173 4.205 -5.804 200 H THR 29 H THR 29 -0.436 6.233 -7.943 201 HA THR 29 HA THR 29 -2.387 6.549 -5.844 202 HB THR 29 HB THR 29 -3.129 7.062 -8.053 203 HG1 THR 29 1HG THR 29 -4.228 4.502 -7.606 204 HG21 THR 29 3HG2 THR 29 -1.542 4.835 -8.850 205 HG22 THR 29 1HG2 THR 29 -2.307 6.075 -9.845 206 HG23 THR 29 2HG2 THR 29 -3.196 4.611 -9.421 207 H PHE 30 H PHE 30 -3.986 4.630 -5.546 208 HA PHE 30 HA PHE 30 -2.802 2.633 -4.103 209 HB2 PHE 30 2HB PHE 30 -5.217 3.084 -4.062 210 HB3 PHE 30 1HB PHE 30 -5.376 2.401 -5.677 211 HD1 PHE 30 2HD PHE 30 -4.165 1.503 -2.271 212 HD2 PHE 30 1HD PHE 30 -5.942 0.180 -5.904 213 HE1 PHE 30 2HE PHE 30 -4.502 -0.729 -1.290 214 HE2 PHE 30 1HE PHE 30 -6.284 -2.053 -4.930 215 HZ PHE 30 HZ PHE 30 -5.563 -2.509 -2.619 216 H PHE 31 H PHE 31 -3.431 2.672 -7.566 217 HA PHE 31 HA PHE 31 -2.773 -0.040 -8.054 218 HB2 PHE 31 2HB PHE 31 -2.679 2.348 -9.907 219 HB3 PHE 31 1HB PHE 31 -2.561 0.668 -10.418 220 HD1 PHE 31 2HD PHE 31 -4.539 -0.869 -9.750 221 HD2 PHE 31 1HD PHE 31 -4.739 3.380 -9.828 222 HE1 PHE 31 2HE PHE 31 -6.991 -0.991 -9.913 223 HE2 PHE 31 1HE PHE 31 -7.192 3.267 -9.992 224 HZ PHE 31 HZ PHE 31 -8.321 1.078 -10.034 225 H GLU 32 H GLU 32 -0.903 2.967 -8.395 226 HA GLU 32 HA GLU 32 1.490 1.783 -9.247 227 HB2 GLU 32 2HB GLU 32 0.754 4.391 -7.999 228 HB3 GLU 32 1HB GLU 32 2.455 3.950 -8.063 229 HG2 GLU 32 2HG GLU 32 1.654 3.425 -10.610 230 HG3 GLU 32 1HG GLU 32 0.647 4.811 -10.192 231 H LEU 33 H LEU 33 0.096 2.191 -6.072 232 HA LEU 33 HA LEU 33 2.479 1.579 -4.618 233 HB2 LEU 33 2HB LEU 33 0.846 2.822 -3.451 234 HB3 LEU 33 1HB LEU 33 -0.435 1.709 -3.890 235 HG LEU 33 HG LEU 33 0.385 0.049 -2.356 236 HD11 LEU 33 1HD1 LEU 33 2.588 1.890 -1.494 237 HD12 LEU 33 2HD1 LEU 33 2.826 0.702 -2.775 238 HD13 LEU 33 3HD1 LEU 33 2.380 0.173 -1.153 239 HD21 LEU 33 3HD2 LEU 33 0.142 1.240 -0.231 240 HD22 LEU 33 1HD2 LEU 33 -1.049 1.773 -1.417 241 HD23 LEU 33 2HD2 LEU 33 0.360 2.776 -1.071 242 H GLN 34 H GLN 34 -0.362 -0.263 -5.651 243 HA GLN 34 HA GLN 34 0.271 -2.682 -4.385 244 HB2 GLN 34 2HB GLN 34 -1.265 -2.146 -6.932 245 HB3 GLN 34 1HB GLN 34 -1.194 -3.714 -6.139 246 HG2 GLN 34 2HG GLN 34 -1.993 -1.515 -4.384 247 HG3 GLN 34 1HG GLN 34 -3.102 -1.824 -5.719 248 HE21 GLN 34 1HE2 GLN 34 -1.084 -4.033 -3.832 249 HE22 GLN 34 2HE2 GLN 34 -2.387 -5.010 -3.253 250 H GLU 35 H GLU 35 1.463 -1.212 -7.307 251 HA GLU 35 HA GLU 35 2.664 -3.587 -8.363 252 HB2 GLU 35 2HB GLU 35 2.007 -1.700 -9.804 253 HB3 GLU 35 1HB GLU 35 3.203 -0.683 -9.012 254 HG2 GLU 35 2HG GLU 35 4.850 -1.459 -10.284 255 HG3 GLU 35 1HG GLU 35 4.360 -3.134 -10.037 256 H SER 36 H SER 36 3.613 -1.107 -6.121 257 HA SER 36 HA SER 36 6.423 -1.571 -6.270 258 HB2 SER 36 2HB SER 36 4.590 0.002 -4.551 259 HB3 SER 36 1HB SER 36 6.119 -0.478 -3.816 260 HG SER 36 HG SER 36 6.890 1.174 -4.856 261 H ILE 37 H ILE 37 3.925 -2.520 -3.914 262 HA ILE 37 HA ILE 37 5.548 -4.044 -2.236 263 HB ILE 37 HB ILE 37 2.651 -4.598 -2.892 264 HG12 ILE 37 2HG1 ILE 37 3.235 -3.102 -0.446 265 HG13 ILE 37 1HG1 ILE 37 3.693 -2.235 -1.908 266 HG21 ILE 37 1HG2 ILE 37 2.512 -5.744 -0.850 267 HG22 ILE 37 2HG2 ILE 37 4.068 -5.122 -0.298 268 HG23 ILE 37 3HG2 ILE 37 4.004 -6.316 -1.594 269 HD11 ILE 37 3HD1 ILE 37 0.975 -3.445 -1.501 270 HD12 ILE 37 1HD1 ILE 37 1.481 -2.297 -2.741 271 HD13 ILE 37 2HD1 ILE 37 1.383 -1.787 -1.055 272 H ALA 38 H ALA 38 3.846 -4.923 -5.201 273 HA ALA 38 HA ALA 38 4.243 -7.682 -5.138 274 HB1 ALA 38 1HB ALA 38 4.286 -7.276 -7.763 275 HB2 ALA 38 2HB ALA 38 3.718 -5.683 -7.263 276 HB3 ALA 38 3HB ALA 38 2.809 -7.125 -6.813 277 H ARG 39 H ARG 39 6.500 -5.137 -5.595 278 HA ARG 39 HA ARG 39 8.466 -6.850 -6.889 279 HB2 ARG 39 2HB ARG 39 9.014 -4.070 -5.904 280 HB3 ARG 39 1HB ARG 39 9.749 -4.929 -7.251 281 HG2 ARG 39 2HG ARG 39 7.184 -4.819 -8.083 282 HG3 ARG 39 1HG ARG 39 7.289 -3.335 -7.138 283 HD2 ARG 39 2HD ARG 39 8.572 -2.330 -8.667 284 HD3 ARG 39 1HD ARG 39 9.604 -3.748 -8.850 285 HE ARG 39 HE ARG 39 7.029 -3.998 -10.112 286 HH11 ARG 39 1HH1 ARG 39 10.322 -2.906 -10.498 287 HH12 ARG 39 2HH1 ARG 39 10.289 -3.021 -12.225 288 HH21 ARG 39 1HH2 ARG 39 6.986 -4.150 -12.384 289 HH22 ARG 39 2HH2 ARG 39 8.396 -3.726 -13.297 290 H GLU 40 H GLU 40 8.223 -4.896 -3.930 291 HA GLU 40 HA GLU 40 10.586 -5.800 -2.738 292 HB2 GLU 40 2HB GLU 40 8.222 -4.285 -1.918 293 HB3 GLU 40 1HB GLU 40 8.947 -5.206 -0.608 294 HG2 GLU 40 2HG GLU 40 9.778 -2.879 -0.811 295 HG3 GLU 40 1HG GLU 40 11.038 -4.108 -0.886 296 H PHE 41 H PHE 41 7.436 -7.248 -2.950 297 HA PHE 41 HA PHE 41 8.397 -9.471 -1.275 298 HB2 PHE 41 2HB PHE 41 5.526 -8.564 -1.535 299 HB3 PHE 41 1HB PHE 41 6.142 -9.833 -0.479 300 HD1 PHE 41 1HD PHE 41 5.864 -6.228 -1.005 301 HD2 PHE 41 2HD PHE 41 7.350 -9.290 1.542 302 HE1 PHE 41 1HE PHE 41 6.217 -4.570 0.777 303 HE2 PHE 41 2HE PHE 41 7.700 -7.641 3.331 304 HZ PHE 41 HZ PHE 41 7.133 -5.279 2.951 305 H ASN 42 H ASN 42 6.459 -11.323 -1.742 306 HA ASN 42 HA ASN 42 6.696 -11.780 -4.642 307 HB2 ASN 42 2HB ASN 42 6.917 -13.649 -2.304 308 HB3 ASN 42 1HB ASN 42 6.461 -14.261 -3.891 309 HD21 ASN 42 1HD2 ASN 42 8.858 -12.048 -2.489 310 HD22 ASN 42 2HD2 ASN 42 10.196 -12.651 -3.400 311 H ILE 43 H ILE 43 4.541 -10.337 -3.961 312 HA ILE 43 HA ILE 43 2.360 -12.256 -4.339 313 HB ILE 43 HB ILE 43 2.137 -9.854 -2.522 314 HG12 ILE 43 2HG1 ILE 43 1.645 -12.094 -0.997 315 HG13 ILE 43 1HG1 ILE 43 2.971 -12.623 -2.029 316 HG21 ILE 43 1HG2 ILE 43 -0.066 -10.567 -2.056 317 HG22 ILE 43 2HG2 ILE 43 0.179 -12.111 -2.873 318 HG23 ILE 43 3HG2 ILE 43 0.097 -10.619 -3.811 319 HD11 ILE 43 3HD1 ILE 43 3.204 -11.238 0.319 320 HD12 ILE 43 1HD1 ILE 43 3.400 -9.981 -0.903 321 HD13 ILE 43 2HD1 ILE 43 4.451 -11.398 -0.918 322 HA PRO 44 HA PRO 44 1.501 -9.523 -7.724 323 HB2 PRO 44 2HB PRO 44 -0.979 -10.436 -8.352 324 HB3 PRO 44 1HB PRO 44 0.500 -11.314 -8.751 325 HG2 PRO 44 2HG PRO 44 -1.409 -11.744 -6.491 326 HG3 PRO 44 1HG PRO 44 -0.598 -12.942 -7.516 327 HD2 PRO 44 2HD PRO 44 0.256 -12.323 -5.011 328 HD3 PRO 44 1HD PRO 44 1.357 -12.842 -6.300 329 HA PRO 45 HA PRO 45 -0.893 -6.116 -6.294 330 HB2 PRO 45 2HB PRO 45 -2.248 -5.340 -8.541 331 HB3 PRO 45 1HB PRO 45 -0.537 -5.004 -8.258 332 HG2 PRO 45 2HG PRO 45 -1.799 -7.175 -9.888 333 HG3 PRO 45 1HG PRO 45 -0.391 -6.165 -10.267 334 HD2 PRO 45 2HD PRO 45 -0.125 -8.689 -9.380 335 HD3 PRO 45 1HD PRO 45 1.024 -7.415 -8.926 336 H TYR 46 H TYR 46 -2.563 -8.766 -7.824 337 HA TYR 46 HA TYR 46 -5.148 -7.832 -6.845 338 HB2 TYR 46 2HB TYR 46 -6.112 -9.679 -8.090 339 HB3 TYR 46 1HB TYR 46 -5.001 -8.784 -9.120 340 HD1 TYR 46 2HD TYR 46 -2.845 -9.767 -9.770 341 HD2 TYR 46 1HD TYR 46 -5.670 -11.959 -7.465 342 HE1 TYR 46 2HE TYR 46 -1.651 -11.851 -10.299 343 HE2 TYR 46 1HE TYR 46 -4.484 -14.048 -7.986 344 HH TYR 46 HH TYR 46 -2.282 -14.354 -10.421 345 H LEU 47 H LEU 47 -2.708 -9.133 -5.301 346 HA LEU 47 HA LEU 47 -4.445 -10.765 -3.585 347 HB2 LEU 47 2HB LEU 47 -1.690 -11.495 -4.561 348 HB3 LEU 47 1HB LEU 47 -2.450 -12.263 -3.182 349 HG LEU 47 HG LEU 47 -3.492 -12.308 -6.013 350 HD11 LEU 47 1HD1 LEU 47 -1.921 -13.895 -6.221 351 HD12 LEU 47 2HD1 LEU 47 -3.041 -14.883 -5.285 352 HD13 LEU 47 3HD1 LEU 47 -1.709 -14.057 -4.479 353 HD21 LEU 47 3HD2 LEU 47 -4.837 -14.239 -4.687 354 HD22 LEU 47 1HD2 LEU 47 -5.452 -12.607 -4.949 355 HD23 LEU 47 2HD2 LEU 47 -4.677 -13.023 -3.419 356 H GLN 48 H GLN 48 -2.691 -8.050 -3.744 357 HA GLN 48 HA GLN 48 -1.605 -8.317 -1.026 358 HB2 GLN 48 2HB GLN 48 -0.921 -6.375 -3.234 359 HB3 GLN 48 1HB GLN 48 -0.282 -6.273 -1.601 360 HG2 GLN 48 2HG GLN 48 0.867 -8.344 -1.839 361 HG3 GLN 48 1HG GLN 48 0.071 -8.669 -3.376 362 HE21 GLN 48 1HE2 GLN 48 0.321 -6.373 -4.738 363 HE22 GLN 48 2HE2 GLN 48 1.984 -5.986 -4.995 364 H CYS 49 H CYS 49 -2.947 -7.589 0.471 365 HA CYS 49 HA CYS 49 -4.661 -5.283 -0.143 366 HB2 CYS 49 2HB CYS 49 -5.882 -7.244 0.618 367 HB3 CYS 49 1HB CYS 49 -4.860 -7.365 2.045 368 HG CYS 49 HG CYS 49 -7.249 -6.178 2.470 369 H ILE 50 H ILE 50 -3.588 -3.471 0.333 370 HA ILE 50 HA ILE 50 -1.670 -3.300 2.453 371 HB ILE 50 HB ILE 50 -2.885 -1.031 0.880 372 HG12 ILE 50 2HG1 ILE 50 -0.209 -2.021 0.144 373 HG13 ILE 50 1HG1 ILE 50 -1.525 -3.133 -0.217 374 HG21 ILE 50 1HG2 ILE 50 -0.746 0.095 1.422 375 HG22 ILE 50 2HG2 ILE 50 -0.324 -1.273 2.452 376 HG23 ILE 50 3HG2 ILE 50 -1.722 -0.272 2.844 377 HD11 ILE 50 3HD1 ILE 50 -2.607 -1.507 -1.590 378 HD12 ILE 50 1HD1 ILE 50 -0.917 -1.618 -2.084 379 HD13 ILE 50 2HD1 ILE 50 -1.461 -0.260 -1.098 380 H ARG 51 H ARG 51 -1.754 -1.969 4.284 381 HA ARG 51 HA ARG 51 -4.354 -0.942 5.113 382 HB2 ARG 51 2HB ARG 51 -2.726 -2.851 6.800 383 HB3 ARG 51 1HB ARG 51 -4.210 -2.047 7.294 384 HG2 ARG 51 2HG ARG 51 -5.288 -3.222 5.292 385 HG3 ARG 51 1HG ARG 51 -3.841 -4.234 5.282 386 HD2 ARG 51 2HD ARG 51 -4.270 -4.812 7.640 387 HD3 ARG 51 1HD ARG 51 -5.752 -3.861 7.583 388 HE ARG 51 HE ARG 51 -5.329 -6.490 6.488 389 HH11 ARG 51 1HH1 ARG 51 -7.267 -3.591 6.331 390 HH12 ARG 51 2HH1 ARG 51 -8.636 -4.394 5.639 391 HH21 ARG 51 1HH2 ARG 51 -7.130 -7.547 5.578 392 HH22 ARG 51 2HH2 ARG 51 -8.558 -6.640 5.211 393 H TYR 52 H TYR 52 -4.233 0.808 6.483 394 HA TYR 52 HA TYR 52 -1.628 1.561 7.566 395 HB2 TYR 52 2HB TYR 52 -1.727 3.802 6.619 396 HB3 TYR 52 1HB TYR 52 -1.751 2.603 5.331 397 HD1 TYR 52 2HD TYR 52 -4.261 1.846 4.680 398 HD2 TYR 52 1HD TYR 52 -3.165 5.584 6.392 399 HE1 TYR 52 2HE TYR 52 -6.311 2.856 3.771 400 HE2 TYR 52 1HE TYR 52 -5.212 6.605 5.489 401 HH TYR 52 HH TYR 52 -6.798 6.093 3.493 402 H GLY 53 H GLY 53 -1.762 3.360 9.106 403 HA2 GLY 53 2HA GLY 53 -2.762 4.552 10.808 404 HA3 GLY 53 1HA GLY 53 -4.313 4.261 10.036 405 H PHE 54 H PHE 54 -3.917 4.213 12.814 406 HA PHE 54 HA PHE 54 -4.239 1.350 13.426 407 HB2 PHE 54 2HB PHE 54 -2.472 3.134 14.566 408 HB3 PHE 54 1HB PHE 54 -3.804 3.118 15.717 409 HD1 PHE 54 2HD PHE 54 -1.308 1.016 14.001 410 HD2 PHE 54 1HD PHE 54 -4.182 1.262 17.129 411 HE1 PHE 54 2HE PHE 54 -0.457 -1.092 14.942 412 HE2 PHE 54 1HE PHE 54 -3.336 -0.846 18.077 413 HZ PHE 54 HZ PHE 54 -1.471 -2.025 16.983 414 HA PRO 55 HA PRO 55 -5.491 -0.151 14.213 415 HB2 PRO 55 2HB PRO 55 -8.134 -0.671 13.031 416 HB3 PRO 55 1HB PRO 55 -7.334 -1.472 14.386 417 HG2 PRO 55 2HG PRO 55 -9.448 0.145 14.749 418 HG3 PRO 55 1HG PRO 55 -8.125 0.052 15.927 419 HD2 PRO 55 2HD PRO 55 -8.653 2.128 13.831 420 HD3 PRO 55 1HD PRO 55 -8.122 2.337 15.513 421 HA PRO 56 HA PRO 56 -4.480 -0.161 9.924 422 HB2 PRO 56 2HB PRO 56 -4.700 -2.779 9.216 423 HB3 PRO 56 1HB PRO 56 -3.378 -2.152 10.206 424 HG2 PRO 56 2HG PRO 56 -5.872 -3.572 11.055 425 HG3 PRO 56 1HG PRO 56 -4.210 -3.784 11.637 426 HD2 PRO 56 2HD PRO 56 -6.051 -2.349 13.000 427 HD3 PRO 56 1HD PRO 56 -4.325 -1.938 13.017 428 H LYS 57 H LYS 57 -5.663 0.627 8.339 429 HA LYS 57 HA LYS 57 -8.427 -0.196 7.988 430 HB2 LYS 57 2HB LYS 57 -6.762 1.980 6.722 431 HB3 LYS 57 1HB LYS 57 -8.423 1.644 6.254 432 HG2 LYS 57 2HG LYS 57 -9.171 2.134 8.524 433 HG3 LYS 57 1HG LYS 57 -7.504 2.460 9.004 434 HD2 LYS 57 2HD LYS 57 -7.538 4.516 8.115 435 HD3 LYS 57 1HD LYS 57 -8.343 3.962 6.645 436 HE2 LYS 57 2HE LYS 57 -10.435 4.348 7.481 437 HE3 LYS 57 1HE LYS 57 -9.935 4.084 9.151 438 HZ1 LYS 57 3HZ LYS 57 -8.944 6.430 7.673 439 HZ2 LYS 57 1HZ LYS 57 -9.139 6.223 9.341 440 HZ3 LYS 57 2HZ LYS 57 -10.491 6.459 8.354 441 H GLU 58 H GLU 58 -9.119 -0.219 5.542 442 HA GLU 58 HA GLU 58 -7.306 -2.086 4.164 443 HB2 GLU 58 2HB GLU 58 -9.679 -2.808 5.037 444 HB3 GLU 58 1HB GLU 58 -10.241 -1.988 3.587 445 HG2 GLU 58 2HG GLU 58 -8.816 -3.434 2.222 446 HG3 GLU 58 1HG GLU 58 -8.272 -4.263 3.680 447 H LEU 59 H LEU 59 -6.335 -0.058 3.339 448 HA LEU 59 HA LEU 59 -7.389 1.911 1.836 449 HB2 LEU 59 2HB LEU 59 -4.954 1.465 2.339 450 HB3 LEU 59 1HB LEU 59 -4.945 0.379 0.964 451 HG LEU 59 HG LEU 59 -5.325 2.169 -0.568 452 HD11 LEU 59 1HD1 LEU 59 -5.519 4.530 0.302 453 HD12 LEU 59 2HD1 LEU 59 -5.845 3.828 1.886 454 HD13 LEU 59 3HD1 LEU 59 -6.933 3.503 0.536 455 HD21 LEU 59 3HD2 LEU 59 -3.323 3.360 -0.361 456 HD22 LEU 59 1HD2 LEU 59 -3.024 1.849 0.497 457 HD23 LEU 59 2HD2 LEU 59 -3.377 3.320 1.401 458 H MET 60 H MET 60 -9.260 1.237 0.783 459 HA MET 60 HA MET 60 -9.321 -0.817 -1.172 460 HB2 MET 60 2HB MET 60 -11.522 0.057 -1.751 461 HB3 MET 60 1HB MET 60 -11.337 -0.035 -0.004 462 HG2 MET 60 2HG MET 60 -10.787 2.391 -0.003 463 HG3 MET 60 1HG MET 60 -11.176 2.427 -1.722 464 HE1 MET 60 3HE MET 60 -12.387 4.357 -0.986 465 HE2 MET 60 1HE MET 60 -13.304 4.373 0.521 466 HE3 MET 60 2HE MET 60 -14.146 4.231 -1.022 467 HA PRO 61 HA PRO 61 -7.743 1.266 -4.723 468 HB2 PRO 61 2HB PRO 61 -9.049 0.022 -6.722 469 HB3 PRO 61 1HB PRO 61 -7.835 -0.805 -5.739 470 HG2 PRO 61 2HG PRO 61 -10.821 -0.902 -5.541 471 HG3 PRO 61 1HG PRO 61 -9.648 -2.226 -5.421 472 HD2 PRO 61 2HD PRO 61 -10.796 -1.030 -3.252 473 HD3 PRO 61 1HD PRO 61 -9.192 -1.785 -3.216 474 HA PRO 62 HA PRO 62 -10.565 4.583 -5.607 475 HB2 PRO 62 2HB PRO 62 -9.174 5.751 -7.626 476 HB3 PRO 62 1HB PRO 62 -8.724 5.912 -5.927 477 HG2 PRO 62 2HG PRO 62 -7.598 4.104 -8.027 478 HG3 PRO 62 1HG PRO 62 -6.750 5.037 -6.780 479 HD2 PRO 62 2HD PRO 62 -7.237 2.385 -6.541 480 HD3 PRO 62 1HD PRO 62 -7.176 3.475 -5.143 481 H GLN 63 H GLN 63 -11.234 5.712 -7.881 482 HA GLN 63 HA GLN 63 -11.895 3.608 -9.808 483 HB2 GLN 63 2HB GLN 63 -13.741 4.833 -7.989 484 HB3 GLN 63 1HB GLN 63 -14.160 5.307 -9.630 485 HG2 GLN 63 2HG GLN 63 -14.495 3.090 -10.304 486 HG3 GLN 63 1HG GLN 63 -13.663 2.445 -8.890 487 HE21 GLN 63 1HE2 GLN 63 -14.703 2.812 -6.796 488 HE22 GLN 63 2HE2 GLN 63 -16.429 2.817 -6.717 489 H ALA 64 H ALA 64 -13.500 5.072 -11.499 490 HA ALA 64 HA ALA 64 -11.666 6.462 -13.061 491 HB1 ALA 64 1HB ALA 64 -14.662 6.798 -13.089 492 HB2 ALA 64 2HB ALA 64 -13.781 5.499 -13.893 493 HB3 ALA 64 3HB ALA 64 -13.545 7.171 -14.402 494 H GLY 65 H GLY 65 -10.608 8.243 -12.461 495 HA2 GLY 65 2HA GLY 65 -10.789 10.677 -12.366 496 HA3 GLY 65 1HA GLY 65 -12.195 10.464 -11.333 497 H MET 66 H MET 66 -10.996 8.370 -9.725 498 HA MET 66 HA MET 66 -9.297 10.076 -8.063 499 HB2 MET 66 2HB MET 66 -10.951 7.628 -7.502 500 HB3 MET 66 1HB MET 66 -9.736 8.187 -6.363 501 HG2 MET 66 2HG MET 66 -11.298 10.425 -7.073 502 HG3 MET 66 1HG MET 66 -12.407 9.098 -6.736 503 HE1 MET 66 3HE MET 66 -11.298 7.590 -3.784 504 HE2 MET 66 1HE MET 66 -12.635 7.858 -4.903 505 HE3 MET 66 2HE MET 66 -12.656 8.610 -3.308 506 H GLU 67 H GLU 67 -9.162 7.292 -10.077 507 HA GLU 67 HA GLU 67 -7.103 5.798 -9.014 508 HB2 GLU 67 2HB GLU 67 -6.657 5.026 -11.275 509 HB3 GLU 67 1HB GLU 67 -8.391 5.167 -11.018 510 HG2 GLU 67 2HG GLU 67 -8.422 7.271 -12.227 511 HG3 GLU 67 1HG GLU 67 -6.674 7.186 -12.444 512 H LYS 68 H LYS 68 -6.967 8.909 -10.569 513 HA LYS 68 HA LYS 68 -4.131 8.882 -11.000 514 HB2 LYS 68 2HB LYS 68 -4.491 11.367 -11.381 515 HB3 LYS 68 1HB LYS 68 -5.367 10.281 -12.453 516 HG2 LYS 68 2HG LYS 68 -7.411 10.730 -11.444 517 HG3 LYS 68 1HG LYS 68 -6.656 11.362 -9.979 518 HD2 LYS 68 2HD LYS 68 -5.857 13.307 -11.221 519 HD3 LYS 68 1HD LYS 68 -6.582 12.669 -12.699 520 HE2 LYS 68 2HE LYS 68 -8.310 13.027 -10.301 521 HE3 LYS 68 1HE LYS 68 -7.829 14.457 -11.212 522 HZ1 LYS 68 3HZ LYS 68 -8.948 12.132 -12.627 523 HZ2 LYS 68 1HZ LYS 68 -8.967 13.766 -13.070 524 HZ3 LYS 68 2HZ LYS 68 -9.985 13.210 -11.839 525 H GLU 69 H GLU 69 -6.217 9.630 -8.356 526 HA GLU 69 HA GLU 69 -4.538 11.407 -6.943 527 HB2 GLU 69 2HB GLU 69 -7.079 10.359 -6.591 528 HB3 GLU 69 1HB GLU 69 -6.170 9.682 -5.247 529 HG2 GLU 69 2HG GLU 69 -5.703 12.533 -5.673 530 HG3 GLU 69 1HG GLU 69 -7.373 12.127 -5.277 531 HA PRO 70 HA PRO 70 -1.453 8.574 -5.492 532 HB2 PRO 70 2HB PRO 70 -0.343 10.070 -3.549 533 HB3 PRO 70 1HB PRO 70 -0.141 10.457 -5.262 534 HG2 PRO 70 2HG PRO 70 -2.004 11.662 -3.255 535 HG3 PRO 70 1HG PRO 70 -1.028 12.464 -4.499 536 HD2 PRO 70 2HD PRO 70 -3.693 11.926 -4.782 537 HD3 PRO 70 1HD PRO 70 -2.566 12.043 -6.148 538 H VAL 71 H VAL 71 -0.706 7.502 -3.501 539 HA VAL 71 HA VAL 71 -2.872 6.459 -2.020 540 HB VAL 71 HB VAL 71 -0.993 5.457 -0.577 541 HG11 VAL 71 1HG1 VAL 71 -2.031 4.798 -3.114 542 HG12 VAL 71 2HG1 VAL 71 -1.340 3.716 -1.906 543 HG13 VAL 71 3HG1 VAL 71 -0.308 4.424 -3.149 544 HG21 VAL 71 3HG2 VAL 71 1.169 5.886 -1.005 545 HG22 VAL 71 1HG2 VAL 71 0.549 7.367 -1.734 546 HG23 VAL 71 2HG2 VAL 71 0.911 5.970 -2.748 547 HA PRO 72 HA PRO 72 -3.062 9.136 1.500 548 HB2 PRO 72 2HB PRO 72 -3.783 7.491 3.478 549 HB3 PRO 72 1HB PRO 72 -4.847 7.772 2.095 550 HG2 PRO 72 2HG PRO 72 -2.974 5.484 2.597 551 HG3 PRO 72 1HG PRO 72 -4.663 5.438 2.062 552 HD2 PRO 72 2HD PRO 72 -2.569 5.227 0.347 553 HD3 PRO 72 1HD PRO 72 -4.120 5.955 -0.114 554 H LEU 73 H LEU 73 -0.520 7.067 1.154 555 HA LEU 73 HA LEU 73 0.603 7.585 3.809 556 HB2 LEU 73 2HB LEU 73 2.035 5.908 1.823 557 HB3 LEU 73 1HB LEU 73 1.891 5.712 3.560 558 HG LEU 73 HG LEU 73 -0.412 5.196 1.686 559 HD11 LEU 73 1HD1 LEU 73 1.789 3.359 2.556 560 HD12 LEU 73 2HD1 LEU 73 1.172 3.659 0.931 561 HD13 LEU 73 3HD1 LEU 73 0.195 2.763 2.093 562 HD21 LEU 73 3HD2 LEU 73 -0.598 5.580 4.266 563 HD22 LEU 73 1HD2 LEU 73 0.002 3.923 4.350 564 HD23 LEU 73 2HD2 LEU 73 -1.496 4.277 3.489 565 H GLN 74 H GLN 74 2.729 8.424 4.039 566 HA GLN 74 HA GLN 74 3.779 9.834 1.683 567 HB2 GLN 74 2HB GLN 74 3.403 11.005 4.442 568 HB3 GLN 74 1HB GLN 74 4.274 11.789 3.132 569 HG2 GLN 74 2HG GLN 74 1.362 11.030 3.069 570 HG3 GLN 74 1HG GLN 74 1.992 12.642 3.402 571 HE21 GLN 74 1HE2 GLN 74 0.498 11.014 1.127 572 HE22 GLN 74 2HE2 GLN 74 1.185 11.704 -0.300 573 H HIS 75 H HIS 75 5.980 10.933 2.450 574 HA HIS 75 HA HIS 75 7.827 8.880 2.771 575 HB2 HIS 75 2HB HIS 75 8.250 11.188 1.836 576 HB3 HIS 75 1HB HIS 75 8.312 11.772 3.496 577 HD1 HIS 75 1HD HIS 75 9.817 8.622 3.757 578 HD2 HIS 75 2HD HIS 75 11.053 12.246 2.144 579 HE1 HIS 75 1HE HIS 75 12.327 8.499 3.671 580 HE2 HIS 75 2HE HIS 75 13.056 10.738 2.774 581 H GLY 76 H GLY 76 7.953 7.594 4.498 582 HA2 GLY 76 2HA GLY 76 8.911 7.343 6.700 583 HA3 GLY 76 1HA GLY 76 8.190 8.883 7.137 584 H ASP 77 H ASP 77 6.020 7.048 5.329 585 HA ASP 77 HA ASP 77 4.454 6.513 7.710 586 HB2 ASP 77 2HB ASP 77 3.929 6.811 4.840 587 HB3 ASP 77 1HB ASP 77 2.997 5.522 5.595 588 H ARG 78 H ARG 78 3.109 4.351 7.493 589 HA ARG 78 HA ARG 78 4.824 2.122 6.695 590 HB2 ARG 78 2HB ARG 78 4.330 0.995 8.898 591 HB3 ARG 78 1HB ARG 78 5.443 2.353 8.985 592 HG2 ARG 78 2HG ARG 78 2.596 2.986 9.408 593 HG3 ARG 78 1HG ARG 78 3.375 2.011 10.655 594 HD2 ARG 78 2HD ARG 78 5.034 3.675 11.032 595 HD3 ARG 78 1HD ARG 78 4.533 4.585 9.607 596 HE ARG 78 HE ARG 78 2.369 4.366 11.393 597 HH11 ARG 78 1HH1 ARG 78 5.447 5.978 11.072 598 HH12 ARG 78 2HH1 ARG 78 4.978 7.335 12.040 599 HH21 ARG 78 1HH2 ARG 78 1.751 6.150 12.667 600 HH22 ARG 78 2HH2 ARG 78 2.880 7.432 12.946 601 H ILE 79 H ILE 79 3.731 0.263 6.153 602 HA ILE 79 HA ILE 79 0.816 0.287 6.444 603 HB ILE 79 HB ILE 79 0.836 -0.654 3.998 604 HG12 ILE 79 2HG1 ILE 79 3.257 1.158 4.001 605 HG13 ILE 79 1HG1 ILE 79 3.280 -0.582 3.733 606 HG21 ILE 79 1HG2 ILE 79 1.173 2.285 4.079 607 HG22 ILE 79 2HG2 ILE 79 -0.069 1.569 5.105 608 HG23 ILE 79 3HG2 ILE 79 -0.108 1.310 3.362 609 HD11 ILE 79 3HD1 ILE 79 2.551 1.608 1.916 610 HD12 ILE 79 1HD1 ILE 79 1.539 0.166 1.828 611 HD13 ILE 79 2HD1 ILE 79 3.280 0.038 1.578 612 H THR 80 H THR 80 -0.177 -1.793 5.828 613 HA THR 80 HA THR 80 1.646 -4.068 6.190 614 HB THR 80 HB THR 80 -1.039 -3.718 7.531 615 HG1 THR 80 1HG THR 80 0.796 -2.520 8.409 616 HG21 THR 80 3HG2 THR 80 -0.653 -5.761 8.670 617 HG22 THR 80 1HG2 THR 80 0.963 -5.911 7.980 618 HG23 THR 80 2HG2 THR 80 -0.456 -6.075 6.945 619 H ILE 81 H ILE 81 1.366 -5.651 4.755 620 HA ILE 81 HA ILE 81 -0.943 -5.481 2.960 621 HB ILE 81 HB ILE 81 1.557 -7.107 2.539 622 HG12 ILE 81 2HG1 ILE 81 2.197 -4.775 2.747 623 HG13 ILE 81 1HG1 ILE 81 2.298 -5.261 1.058 624 HG21 ILE 81 1HG2 ILE 81 0.849 -6.991 0.168 625 HG22 ILE 81 2HG2 ILE 81 -0.632 -6.186 0.686 626 HG23 ILE 81 3HG2 ILE 81 -0.301 -7.840 1.201 627 HD11 ILE 81 3HD1 ILE 81 0.767 -3.160 2.272 628 HD12 ILE 81 1HD1 ILE 81 -0.283 -4.265 1.385 629 HD13 ILE 81 2HD1 ILE 81 1.072 -3.489 0.566 630 H GLU 82 H GLU 82 -2.029 -7.406 2.295 631 HA GLU 82 HA GLU 82 -1.695 -9.717 4.071 632 HB2 GLU 82 2HB GLU 82 -3.515 -8.776 5.147 633 HB3 GLU 82 1HB GLU 82 -4.154 -8.066 3.674 634 HG2 GLU 82 2HG GLU 82 -4.951 -10.213 2.928 635 HG3 GLU 82 1HG GLU 82 -4.194 -11.009 4.307 636 H ILE 83 H ILE 83 -1.313 -11.432 2.851 637 HA ILE 83 HA ILE 83 -1.728 -11.494 0.062 638 HB ILE 83 HB ILE 83 -1.221 -13.786 1.963 639 HG12 ILE 83 2HG1 ILE 83 1.055 -13.333 0.449 640 HG13 ILE 83 1HG1 ILE 83 0.470 -11.708 0.788 641 HG21 ILE 83 1HG2 ILE 83 -1.625 -13.669 -0.949 642 HG22 ILE 83 2HG2 ILE 83 -1.839 -15.010 0.175 643 HG23 ILE 83 3HG2 ILE 83 -0.228 -14.601 -0.415 644 HD11 ILE 83 3HD1 ILE 83 1.770 -13.621 2.530 645 HD12 ILE 83 1HD1 ILE 83 0.284 -12.975 3.226 646 HD13 ILE 83 2HD1 ILE 83 1.566 -11.878 2.709 647 H LEU 84 H LEU 84 -3.706 -11.423 -0.791 648 HA LEU 84 HA LEU 84 -6.009 -12.516 0.480 649 HB2 LEU 84 2HB LEU 84 -5.736 -11.682 -2.402 650 HB3 LEU 84 1HB LEU 84 -7.218 -11.812 -1.474 651 HG LEU 84 HG LEU 84 -5.032 -9.762 -1.127 652 HD11 LEU 84 1HD1 LEU 84 -6.502 -9.296 -2.981 653 HD12 LEU 84 2HD1 LEU 84 -6.856 -8.187 -1.656 654 HD13 LEU 84 3HD1 LEU 84 -7.920 -9.560 -1.965 655 HD21 LEU 84 3HD2 LEU 84 -6.984 -8.905 0.498 656 HD22 LEU 84 1HD2 LEU 84 -5.631 -9.893 1.050 657 HD23 LEU 84 2HD2 LEU 84 -7.185 -10.647 0.692 658 H LYS 85 H LYS 85 -7.501 -14.006 -0.828 659 HA LYS 85 HA LYS 85 -5.943 -16.373 -1.533 660 HB2 LYS 85 2HB LYS 85 -7.737 -16.542 0.183 661 HB3 LYS 85 1HB LYS 85 -8.915 -16.114 -1.048 662 HG2 LYS 85 2HG LYS 85 -9.111 -18.380 -1.083 663 HG3 LYS 85 1HG LYS 85 -7.853 -18.169 -2.303 664 HD2 LYS 85 2HD LYS 85 -7.204 -18.629 0.595 665 HD3 LYS 85 1HD LYS 85 -7.475 -19.964 -0.526 666 HE2 LYS 85 2HE LYS 85 -5.726 -18.712 -1.998 667 HE3 LYS 85 1HE LYS 85 -5.276 -17.941 -0.478 668 HZ1 LYS 85 3HZ LYS 85 -5.200 -20.829 -1.133 669 HZ2 LYS 85 1HZ LYS 85 -5.049 -20.244 0.446 670 HZ3 LYS 85 2HZ LYS 85 -3.903 -19.826 -0.724 671 H GLY 86 H GLY 86 -5.332 -16.129 -3.620 672 HA2 GLY 86 2HA GLY 86 -6.823 -14.992 -5.692 673 HA3 GLY 86 1HA GLY 86 -5.510 -16.141 -5.909 Start of MODEL 2 1 H1 LYS 6 H LYS 6 12.954 14.440 -5.034 2 HA LYS 6 HA LYS 6 12.878 11.925 -6.559 3 HB2 LYS 6 2HB LYS 6 14.652 12.562 -4.656 4 HB3 LYS 6 1HB LYS 6 13.383 11.908 -3.631 5 HG2 LYS 6 2HG LYS 6 14.212 9.895 -4.035 6 HG3 LYS 6 1HG LYS 6 13.637 10.062 -5.694 7 HD2 LYS 6 2HD LYS 6 16.036 11.492 -5.600 8 HD3 LYS 6 1HD LYS 6 16.340 10.018 -4.680 9 HE2 LYS 6 2HE LYS 6 15.288 10.204 -7.501 10 HE3 LYS 6 1HE LYS 6 16.891 9.662 -7.008 11 HZ1 LYS 6 3HZ LYS 6 15.441 7.797 -7.502 12 HZ2 LYS 6 1HZ LYS 6 14.332 8.315 -6.333 13 HZ3 LYS 6 2HZ LYS 6 15.871 7.793 -5.867 14 H GLU 7 H GLU 7 11.693 10.129 -5.292 15 HA GLU 7 HA GLU 7 9.004 11.106 -4.795 16 HB2 GLU 7 2HB GLU 7 8.363 8.748 -4.875 17 HB3 GLU 7 1HB GLU 7 9.341 9.176 -6.271 18 HG2 GLU 7 2HG GLU 7 11.236 8.315 -4.529 19 HG3 GLU 7 1HG GLU 7 9.869 7.285 -4.107 20 H LYS 8 H LYS 8 8.077 9.088 -3.073 21 HA LYS 8 HA LYS 8 9.377 9.887 -0.563 22 HB2 LYS 8 2HB LYS 8 7.147 9.257 0.469 23 HB3 LYS 8 1HB LYS 8 7.153 10.689 -0.549 24 HG2 LYS 8 2HG LYS 8 6.387 9.086 -2.419 25 HG3 LYS 8 1HG LYS 8 5.986 7.991 -1.096 26 HD2 LYS 8 2HD LYS 8 4.837 10.217 -0.168 27 HD3 LYS 8 1HD LYS 8 4.738 10.555 -1.897 28 HE2 LYS 8 2HE LYS 8 3.792 8.153 -2.068 29 HE3 LYS 8 1HE LYS 8 3.510 8.313 -0.335 30 HZ1 LYS 8 3HZ LYS 8 1.572 9.181 -1.015 31 HZ2 LYS 8 1HZ LYS 8 2.149 9.580 -2.555 32 HZ3 LYS 8 2HZ LYS 8 2.470 10.596 -1.243 33 H LYS 9 H LYS 9 9.307 8.307 1.203 34 HA LYS 9 HA LYS 9 9.482 5.537 0.218 35 HB2 LYS 9 2HB LYS 9 11.716 6.356 0.665 36 HB3 LYS 9 1HB LYS 9 11.230 6.931 2.252 37 HG2 LYS 9 2HG LYS 9 10.712 4.093 1.873 38 HG3 LYS 9 1HG LYS 9 12.416 4.517 1.695 39 HD2 LYS 9 2HD LYS 9 11.002 5.736 3.983 40 HD3 LYS 9 1HD LYS 9 11.250 3.991 4.064 41 HE2 LYS 9 2HE LYS 9 13.641 4.303 3.712 42 HE3 LYS 9 1HE LYS 9 13.405 6.046 3.580 43 HZ1 LYS 9 3HZ LYS 9 13.152 6.272 5.800 44 HZ2 LYS 9 1HZ LYS 9 14.084 4.860 5.837 45 HZ3 LYS 9 2HZ LYS 9 12.403 4.768 5.999 46 H ILE 10 H ILE 10 8.349 4.044 1.310 47 HA ILE 10 HA ILE 10 7.292 4.755 3.960 48 HB ILE 10 HB ILE 10 5.479 3.081 2.381 49 HG12 ILE 10 2HG1 ILE 10 6.314 4.633 0.612 50 HG13 ILE 10 1HG1 ILE 10 4.600 4.831 0.961 51 HG21 ILE 10 1HG2 ILE 10 3.997 5.124 3.270 52 HG22 ILE 10 2HG2 ILE 10 5.374 5.269 4.363 53 HG23 ILE 10 3HG2 ILE 10 4.466 3.759 4.284 54 HD11 ILE 10 3HD1 ILE 10 6.520 6.817 0.864 55 HD12 ILE 10 1HD1 ILE 10 6.219 6.583 2.585 56 HD13 ILE 10 2HD1 ILE 10 4.882 6.961 1.500 57 H ARG 11 H ARG 11 6.483 2.851 5.178 58 HA ARG 11 HA ARG 11 8.301 0.598 4.770 59 HB2 ARG 11 2HB ARG 11 8.249 1.681 6.987 60 HB3 ARG 11 1HB ARG 11 6.543 1.279 7.135 61 HG2 ARG 11 2HG ARG 11 7.178 -1.131 6.961 62 HG3 ARG 11 1HG ARG 11 8.868 -0.628 7.042 63 HD2 ARG 11 2HD ARG 11 6.741 -0.185 9.133 64 HD3 ARG 11 1HD ARG 11 8.113 -1.287 9.238 65 HE ARG 11 HE ARG 11 9.021 1.349 8.795 66 HH11 ARG 11 1HH1 ARG 11 7.621 -0.667 11.277 67 HH12 ARG 11 2HH1 ARG 11 8.334 0.226 12.579 68 HH21 ARG 11 1HH2 ARG 11 9.961 2.523 10.505 69 HH22 ARG 11 2HH2 ARG 11 9.662 2.037 12.141 70 H ILE 12 H ILE 12 7.532 -1.599 4.954 71 HA ILE 12 HA ILE 12 4.662 -1.963 4.495 72 HB ILE 12 HB ILE 12 6.760 -3.292 2.779 73 HG12 ILE 12 2HG1 ILE 12 4.726 -1.313 1.784 74 HG13 ILE 12 1HG1 ILE 12 6.273 -0.761 2.418 75 HG21 ILE 12 1HG2 ILE 12 4.735 -3.992 1.472 76 HG22 ILE 12 2HG2 ILE 12 3.754 -3.391 2.808 77 HG23 ILE 12 3HG2 ILE 12 4.884 -4.719 3.073 78 HD11 ILE 12 3HD1 ILE 12 7.472 -1.877 0.719 79 HD12 ILE 12 1HD1 ILE 12 6.135 -1.047 -0.075 80 HD13 ILE 12 2HD1 ILE 12 6.048 -2.783 0.210 81 H THR 13 H THR 13 3.845 -3.955 5.110 82 HA THR 13 HA THR 13 5.644 -5.985 6.120 83 HB THR 13 HB THR 13 3.550 -5.078 8.039 84 HG1 THR 13 1HG THR 13 4.587 -3.181 7.831 85 HG21 THR 13 3HG2 THR 13 5.865 -6.815 8.047 86 HG22 THR 13 1HG2 THR 13 4.479 -6.759 9.136 87 HG23 THR 13 2HG2 THR 13 5.849 -5.677 9.393 88 H THR 14 H THR 14 4.878 -7.862 5.403 89 HA THR 14 HA THR 14 2.040 -8.056 4.766 90 HB THR 14 HB THR 14 2.532 -9.697 3.258 91 HG1 THR 14 1HG THR 14 3.541 -11.364 3.956 92 HG21 THR 14 3HG2 THR 14 4.741 -9.330 2.196 93 HG22 THR 14 1HG2 THR 14 5.150 -8.253 3.530 94 HG23 THR 14 2HG2 THR 14 3.807 -7.857 2.457 95 H ASN 15 H ASN 15 0.681 -9.558 5.555 96 HA ASN 15 HA ASN 15 0.806 -10.248 8.220 97 HB2 ASN 15 2HB ASN 15 -1.022 -11.916 7.643 98 HB3 ASN 15 1HB ASN 15 -1.315 -10.247 7.166 99 HD21 ASN 15 1HD2 ASN 15 -2.749 -12.210 6.003 100 HD22 ASN 15 2HD2 ASN 15 -2.262 -12.423 4.359 101 H ASP 16 H ASP 16 2.183 -11.918 5.501 102 HA ASP 16 HA ASP 16 2.394 -14.485 6.616 103 HB2 ASP 16 2HB ASP 16 3.212 -13.243 4.249 104 HB3 ASP 16 1HB ASP 16 4.702 -13.817 4.992 105 H GLY 17 H GLY 17 3.964 -11.566 7.446 106 HA2 GLY 17 2HA GLY 17 5.108 -11.479 9.572 107 HA3 GLY 17 1HA GLY 17 5.759 -13.074 9.229 108 H ARG 18 H ARG 18 5.641 -10.543 6.811 109 HA ARG 18 HA ARG 18 8.551 -10.166 7.134 110 HB2 ARG 18 2HB ARG 18 8.823 -10.216 4.709 111 HB3 ARG 18 1HB ARG 18 8.137 -11.728 5.291 112 HG2 ARG 18 2HG ARG 18 5.911 -10.931 4.635 113 HG3 ARG 18 1HG ARG 18 6.650 -9.477 3.963 114 HD2 ARG 18 2HD ARG 18 6.357 -10.936 2.140 115 HD3 ARG 18 1HD ARG 18 8.067 -11.033 2.554 116 HE ARG 18 HE ARG 18 7.741 -13.193 3.354 117 HH11 ARG 18 1HH1 ARG 18 4.697 -11.773 2.398 118 HH12 ARG 18 2HH1 ARG 18 3.886 -13.296 2.283 119 HH21 ARG 18 1HH2 ARG 18 6.674 -15.193 3.200 120 HH22 ARG 18 2HH2 ARG 18 5.009 -15.240 2.727 121 H GLN 19 H GLN 19 9.396 -8.189 6.202 122 HA GLN 19 HA GLN 19 7.469 -6.126 5.511 123 HB2 GLN 19 2HB GLN 19 8.726 -4.584 7.205 124 HB3 GLN 19 1HB GLN 19 7.409 -5.604 7.757 125 HG2 GLN 19 2HG GLN 19 8.816 -6.258 9.346 126 HG3 GLN 19 1HG GLN 19 9.570 -7.238 8.092 127 HE21 GLN 19 1HE2 GLN 19 9.617 -3.886 9.260 128 HE22 GLN 19 2HE2 GLN 19 11.333 -3.700 9.172 129 H SER 20 H SER 20 8.396 -4.269 4.547 130 HA SER 20 HA SER 20 11.212 -4.050 4.124 131 HB2 SER 20 2HB SER 20 9.617 -5.574 2.214 132 HB3 SER 20 1HB SER 20 10.448 -4.215 1.457 133 HG SER 20 HG SER 20 11.477 -6.529 2.090 134 H MET 21 H MET 21 11.779 -2.152 2.907 135 HA MET 21 HA MET 21 9.656 -0.141 2.983 136 HB2 MET 21 2HB MET 21 11.323 1.504 3.208 137 HB3 MET 21 1HB MET 21 11.880 0.169 4.204 138 HG2 MET 21 2HG MET 21 12.825 0.430 1.381 139 HG3 MET 21 1HG MET 21 13.541 1.409 2.657 140 HE1 MET 21 3HE MET 21 14.771 -2.273 1.089 141 HE2 MET 21 1HE MET 21 13.218 -1.503 0.772 142 HE3 MET 21 2HE MET 21 13.310 -2.888 1.859 143 H VAL 22 H VAL 22 9.513 1.446 1.290 144 HA VAL 22 HA VAL 22 10.533 0.557 -1.309 145 HB VAL 22 HB VAL 22 8.226 1.156 -2.245 146 HG11 VAL 22 1HG1 VAL 22 8.943 -1.079 -2.395 147 HG12 VAL 22 2HG1 VAL 22 7.342 -1.150 -1.659 148 HG13 VAL 22 3HG1 VAL 22 8.782 -1.329 -0.657 149 HG21 VAL 22 3HG2 VAL 22 6.340 0.870 -0.761 150 HG22 VAL 22 1HG2 VAL 22 7.373 2.173 -0.174 151 HG23 VAL 22 2HG2 VAL 22 7.424 0.589 0.601 152 H THR 23 H THR 23 9.923 2.223 -3.033 153 HA THR 23 HA THR 23 10.317 4.921 -1.916 154 HB THR 23 HB THR 23 12.236 3.946 -3.215 155 HG1 THR 23 1HG THR 23 11.699 6.263 -3.091 156 HG21 THR 23 3HG2 THR 23 10.277 3.207 -5.035 157 HG22 THR 23 1HG2 THR 23 12.025 3.105 -5.245 158 HG23 THR 23 2HG2 THR 23 11.150 4.529 -5.810 159 H LEU 24 H LEU 24 7.774 4.107 -2.057 160 HA LEU 24 HA LEU 24 6.233 4.219 -4.262 161 HB2 LEU 24 2HB LEU 24 5.770 4.422 -1.571 162 HB3 LEU 24 1HB LEU 24 5.191 5.970 -2.155 163 HG LEU 24 HG LEU 24 3.699 4.805 -3.735 164 HD11 LEU 24 1HD1 LEU 24 5.330 2.672 -3.456 165 HD12 LEU 24 2HD1 LEU 24 3.679 2.580 -4.069 166 HD13 LEU 24 3HD1 LEU 24 4.014 2.216 -2.376 167 HD21 LEU 24 3HD2 LEU 24 2.917 5.475 -1.498 168 HD22 LEU 24 1HD2 LEU 24 3.364 3.883 -0.884 169 HD23 LEU 24 2HD2 LEU 24 2.094 4.035 -2.097 170 H LYS 25 H LYS 25 5.712 5.601 -5.828 171 HA LYS 25 HA LYS 25 7.098 8.057 -6.109 172 HB2 LYS 25 2HB LYS 25 5.509 6.347 -7.746 173 HB3 LYS 25 1HB LYS 25 4.869 7.979 -7.881 174 HG2 LYS 25 2HG LYS 25 7.629 8.283 -8.058 175 HG3 LYS 25 1HG LYS 25 7.267 6.838 -9.004 176 HD2 LYS 25 2HD LYS 25 7.184 8.866 -10.380 177 HD3 LYS 25 1HD LYS 25 5.607 8.076 -10.289 178 HE2 LYS 25 2HE LYS 25 4.666 9.799 -9.186 179 HE3 LYS 25 1HE LYS 25 6.108 10.096 -8.216 180 HZ1 LYS 25 3HZ LYS 25 6.326 10.751 -11.037 181 HZ2 LYS 25 1HZ LYS 25 6.891 11.592 -9.681 182 HZ3 LYS 25 2HZ LYS 25 5.269 11.724 -10.144 183 H SER 26 H SER 26 6.241 10.182 -6.229 184 HA SER 26 HA SER 26 4.604 10.937 -4.116 185 HB2 SER 26 2HB SER 26 6.211 12.402 -5.422 186 HB3 SER 26 1HB SER 26 4.952 12.548 -6.648 187 HG SER 26 HG SER 26 4.528 13.180 -3.921 188 H SER 27 H SER 27 3.788 10.468 -7.531 189 HA SER 27 HA SER 27 0.955 10.879 -6.896 190 HB2 SER 27 2HB SER 27 0.593 11.094 -9.279 191 HB3 SER 27 1HB SER 27 1.956 12.117 -8.826 192 HG SER 27 HG SER 27 2.092 9.538 -10.006 193 H THR 28 H THR 28 2.142 8.541 -5.916 194 HA THR 28 HA THR 28 1.478 6.375 -7.722 195 HB THR 28 HB THR 28 2.567 6.486 -4.912 196 HG1 THR 28 1HG THR 28 3.653 5.424 -7.303 197 HG21 THR 28 3HG2 THR 28 1.868 4.428 -4.507 198 HG22 THR 28 1HG2 THR 28 2.904 3.888 -5.828 199 HG23 THR 28 2HG2 THR 28 1.208 4.262 -6.134 200 H THR 29 H THR 29 -0.661 6.126 -8.033 201 HA THR 29 HA THR 29 -2.572 6.504 -5.920 202 HB THR 29 HB THR 29 -3.209 7.040 -8.200 203 HG1 THR 29 1HG THR 29 -4.659 4.710 -7.555 204 HG21 THR 29 3HG2 THR 29 -2.941 5.756 -9.997 205 HG22 THR 29 1HG2 THR 29 -3.487 4.304 -9.160 206 HG23 THR 29 2HG2 THR 29 -1.814 4.839 -8.998 207 H PHE 30 H PHE 30 -4.262 4.689 -5.607 208 HA PHE 30 HA PHE 30 -3.190 2.619 -4.178 209 HB2 PHE 30 2HB PHE 30 -5.569 3.214 -4.107 210 HB3 PHE 30 1HB PHE 30 -5.788 2.569 -5.730 211 HD1 PHE 30 1HD PHE 30 -4.563 1.516 -2.369 212 HD2 PHE 30 2HD PHE 30 -6.560 0.419 -5.962 213 HE1 PHE 30 1HE PHE 30 -5.050 -0.699 -1.417 214 HE2 PHE 30 2HE PHE 30 -7.052 -1.799 -5.017 215 HZ PHE 30 HZ PHE 30 -6.297 -2.361 -2.741 216 H PHE 31 H PHE 31 -3.678 2.781 -7.635 217 HA PHE 31 HA PHE 31 -3.205 -0.002 -8.113 218 HB2 PHE 31 2HB PHE 31 -2.938 2.285 -10.069 219 HB3 PHE 31 1HB PHE 31 -3.174 0.584 -10.455 220 HD1 PHE 31 2HD PHE 31 -5.336 -0.379 -9.019 221 HD2 PHE 31 1HD PHE 31 -4.777 3.575 -10.489 222 HE1 PHE 31 2HE PHE 31 -7.772 -0.043 -9.029 223 HE2 PHE 31 1HE PHE 31 -7.213 3.920 -10.501 224 HZ PHE 31 HZ PHE 31 -8.714 2.109 -9.772 225 H GLU 32 H GLU 32 -1.261 2.953 -8.365 226 HA GLU 32 HA GLU 32 1.091 1.714 -9.305 227 HB2 GLU 32 2HB GLU 32 0.467 4.324 -7.981 228 HB3 GLU 32 1HB GLU 32 2.146 3.835 -8.158 229 HG2 GLU 32 2HG GLU 32 1.198 3.397 -10.663 230 HG3 GLU 32 1HG GLU 32 0.233 4.785 -10.160 231 H LEU 33 H LEU 33 -0.239 2.189 -6.105 232 HA LEU 33 HA LEU 33 2.109 1.516 -4.655 233 HB2 LEU 33 2HB LEU 33 0.411 2.724 -3.510 234 HB3 LEU 33 1HB LEU 33 -0.815 1.547 -3.937 235 HG LEU 33 HG LEU 33 0.138 -0.078 -2.417 236 HD11 LEU 33 1HD1 LEU 33 2.182 1.974 -1.614 237 HD12 LEU 33 2HD1 LEU 33 2.509 0.700 -2.790 238 HD13 LEU 33 3HD1 LEU 33 2.083 0.281 -1.130 239 HD21 LEU 33 3HD2 LEU 33 -0.325 1.009 -0.322 240 HD22 LEU 33 1HD2 LEU 33 -1.440 1.621 -1.544 241 HD23 LEU 33 2HD2 LEU 33 -0.059 2.598 -1.041 242 H GLN 34 H GLN 34 -0.718 -0.322 -5.740 243 HA GLN 34 HA GLN 34 -0.101 -2.766 -4.533 244 HB2 GLN 34 2HB GLN 34 -1.596 -2.102 -7.067 245 HB3 GLN 34 1HB GLN 34 -1.455 -3.746 -6.459 246 HG2 GLN 34 2HG GLN 34 -2.383 -1.781 -4.491 247 HG3 GLN 34 1HG GLN 34 -3.468 -2.043 -5.856 248 HE21 GLN 34 1HE2 GLN 34 -1.298 -4.360 -4.325 249 HE22 GLN 34 2HE2 GLN 34 -2.535 -5.435 -3.780 250 H GLU 35 H GLU 35 1.266 -1.198 -7.304 251 HA GLU 35 HA GLU 35 2.563 -3.605 -8.271 252 HB2 GLU 35 2HB GLU 35 1.740 -1.898 -9.855 253 HB3 GLU 35 1HB GLU 35 2.864 -0.733 -9.168 254 HG2 GLU 35 2HG GLU 35 4.520 -1.463 -10.444 255 HG3 GLU 35 1HG GLU 35 4.238 -3.135 -9.964 256 H SER 36 H SER 36 3.260 -0.943 -6.178 257 HA SER 36 HA SER 36 6.097 -1.059 -6.335 258 HB2 SER 36 2HB SER 36 4.094 0.276 -4.600 259 HB3 SER 36 1HB SER 36 5.692 0.024 -3.899 260 HG SER 36 HG SER 36 4.975 1.930 -5.535 261 H ILE 37 H ILE 37 3.743 -2.344 -3.999 262 HA ILE 37 HA ILE 37 5.613 -3.629 -2.338 263 HB ILE 37 HB ILE 37 2.754 -4.473 -2.830 264 HG12 ILE 37 2HG1 ILE 37 3.238 -2.918 -0.424 265 HG13 ILE 37 1HG1 ILE 37 3.665 -2.011 -1.871 266 HG21 ILE 37 1HG2 ILE 37 4.288 -4.794 -0.278 267 HG22 ILE 37 2HG2 ILE 37 4.402 -5.993 -1.565 268 HG23 ILE 37 3HG2 ILE 37 2.842 -5.643 -0.821 269 HD11 ILE 37 3HD1 ILE 37 1.010 -3.323 -1.345 270 HD12 ILE 37 1HD1 ILE 37 1.440 -2.385 -2.774 271 HD13 ILE 37 2HD1 ILE 37 1.366 -1.602 -1.195 272 H ALA 38 H ALA 38 3.971 -4.634 -5.274 273 HA ALA 38 HA ALA 38 4.560 -7.369 -5.197 274 HB1 ALA 38 1HB ALA 38 3.060 -5.971 -6.815 275 HB2 ALA 38 2HB ALA 38 3.824 -7.457 -7.377 276 HB3 ALA 38 3HB ALA 38 4.526 -5.894 -7.791 277 H ARG 39 H ARG 39 6.619 -4.670 -5.654 278 HA ARG 39 HA ARG 39 8.672 -6.219 -7.025 279 HB2 ARG 39 2HB ARG 39 9.203 -3.473 -5.994 280 HB3 ARG 39 1HB ARG 39 9.735 -4.229 -7.487 281 HG2 ARG 39 2HG ARG 39 7.298 -4.073 -8.230 282 HG3 ARG 39 1HG ARG 39 7.087 -2.971 -6.868 283 HD2 ARG 39 2HD ARG 39 8.998 -1.629 -7.791 284 HD3 ARG 39 1HD ARG 39 8.929 -2.649 -9.228 285 HE ARG 39 HE ARG 39 6.393 -1.762 -9.003 286 HH11 ARG 39 1HH1 ARG 39 9.478 -0.130 -9.008 287 HH12 ARG 39 2HH1 ARG 39 8.848 1.327 -9.700 288 HH21 ARG 39 1HH2 ARG 39 5.562 0.154 -9.915 289 HH22 ARG 39 2HH2 ARG 39 6.625 1.488 -10.215 290 H GLU 40 H GLU 40 8.149 -4.578 -3.935 291 HA GLU 40 HA GLU 40 10.667 -5.320 -2.835 292 HB2 GLU 40 2HB GLU 40 8.450 -3.702 -2.075 293 HB3 GLU 40 1HB GLU 40 8.772 -4.827 -0.763 294 HG2 GLU 40 2HG GLU 40 10.005 -2.829 -0.370 295 HG3 GLU 40 1HG GLU 40 11.141 -4.107 -0.793 296 H PHE 41 H PHE 41 7.532 -6.826 -2.988 297 HA PHE 41 HA PHE 41 8.578 -9.057 -1.372 298 HB2 PHE 41 2HB PHE 41 5.707 -8.133 -1.607 299 HB3 PHE 41 1HB PHE 41 6.260 -9.532 -0.690 300 HD1 PHE 41 2HD PHE 41 6.271 -5.860 -0.865 301 HD2 PHE 41 1HD PHE 41 7.284 -9.286 1.445 302 HE1 PHE 41 2HE PHE 41 6.643 -4.424 1.097 303 HE2 PHE 41 1HE PHE 41 7.657 -7.856 3.411 304 HZ PHE 41 HZ PHE 41 7.337 -5.420 3.239 305 H ASN 42 H ASN 42 6.861 -11.026 -1.856 306 HA ASN 42 HA ASN 42 7.078 -11.420 -4.764 307 HB2 ASN 42 2HB ASN 42 7.346 -13.285 -2.434 308 HB3 ASN 42 1HB ASN 42 6.879 -13.917 -4.011 309 HD21 ASN 42 1HD2 ASN 42 9.253 -11.645 -2.663 310 HD22 ASN 42 2HD2 ASN 42 10.589 -12.229 -3.588 311 H ILE 43 H ILE 43 4.867 -10.038 -4.000 312 HA ILE 43 HA ILE 43 2.747 -12.008 -4.470 313 HB ILE 43 HB ILE 43 2.445 -9.664 -2.591 314 HG12 ILE 43 2HG1 ILE 43 2.018 -11.958 -1.129 315 HG13 ILE 43 1HG1 ILE 43 3.364 -12.416 -2.167 316 HG21 ILE 43 1HG2 ILE 43 0.265 -10.468 -2.144 317 HG22 ILE 43 2HG2 ILE 43 0.560 -11.969 -3.021 318 HG23 ILE 43 3HG2 ILE 43 0.431 -10.445 -3.900 319 HD11 ILE 43 3HD1 ILE 43 3.941 -11.444 0.087 320 HD12 ILE 43 1HD1 ILE 43 3.371 -9.899 -0.541 321 HD13 ILE 43 2HD1 ILE 43 4.733 -10.715 -1.310 322 HA PRO 44 HA PRO 44 1.813 -9.206 -7.779 323 HB2 PRO 44 2HB PRO 44 -0.623 -10.188 -8.454 324 HB3 PRO 44 1HB PRO 44 0.887 -11.010 -8.857 325 HG2 PRO 44 2HG PRO 44 -1.025 -11.547 -6.619 326 HG3 PRO 44 1HG PRO 44 -0.179 -12.698 -7.669 327 HD2 PRO 44 2HD PRO 44 0.651 -12.120 -5.149 328 HD3 PRO 44 1HD PRO 44 1.770 -12.570 -6.448 329 HA PRO 45 HA PRO 45 -0.753 -5.948 -6.302 330 HB2 PRO 45 2HB PRO 45 -2.160 -5.195 -8.519 331 HB3 PRO 45 1HB PRO 45 -0.457 -4.803 -8.261 332 HG2 PRO 45 2HG PRO 45 -1.668 -6.999 -9.894 333 HG3 PRO 45 1HG PRO 45 -0.308 -5.932 -10.287 334 HD2 PRO 45 2HD PRO 45 0.065 -8.458 -9.431 335 HD3 PRO 45 1HD PRO 45 1.180 -7.146 -8.997 336 H TYR 46 H TYR 46 -2.319 -8.633 -7.892 337 HA TYR 46 HA TYR 46 -4.935 -7.852 -6.875 338 HB2 TYR 46 2HB TYR 46 -5.801 -9.747 -8.130 339 HB3 TYR 46 1HB TYR 46 -4.760 -8.768 -9.157 340 HD1 TYR 46 1HD TYR 46 -2.558 -9.604 -9.850 341 HD2 TYR 46 2HD TYR 46 -5.203 -12.001 -7.536 342 HE1 TYR 46 1HE TYR 46 -1.239 -11.599 -10.419 343 HE2 TYR 46 2HE TYR 46 -3.891 -14.003 -8.097 344 HH TYR 46 HH TYR 46 -1.430 -14.453 -8.802 345 H LEU 47 H LEU 47 -2.387 -9.122 -5.411 346 HA LEU 47 HA LEU 47 -4.044 -10.840 -3.692 347 HB2 LEU 47 2HB LEU 47 -1.239 -11.386 -4.646 348 HB3 LEU 47 1HB LEU 47 -1.980 -12.231 -3.304 349 HG LEU 47 HG LEU 47 -2.926 -12.280 -6.169 350 HD11 LEU 47 1HD1 LEU 47 -0.814 -13.603 -5.175 351 HD12 LEU 47 2HD1 LEU 47 -1.870 -14.257 -6.427 352 HD13 LEU 47 3HD1 LEU 47 -2.103 -14.726 -4.743 353 HD21 LEU 47 3HD2 LEU 47 -4.877 -13.060 -5.456 354 HD22 LEU 47 1HD2 LEU 47 -4.383 -12.721 -3.799 355 HD23 LEU 47 2HD2 LEU 47 -4.066 -14.301 -4.504 356 H GLN 48 H GLN 48 -2.421 -8.031 -3.820 357 HA GLN 48 HA GLN 48 -1.348 -8.278 -1.094 358 HB2 GLN 48 2HB GLN 48 -0.728 -6.305 -3.292 359 HB3 GLN 48 1HB GLN 48 -0.134 -6.144 -1.646 360 HG2 GLN 48 2HG GLN 48 1.103 -8.193 -1.835 361 HG3 GLN 48 1HG GLN 48 0.409 -8.508 -3.423 362 HE21 GLN 48 1HE2 GLN 48 0.624 -6.161 -4.703 363 HE22 GLN 48 2HE2 GLN 48 2.279 -5.695 -4.859 364 H CYS 49 H CYS 49 -2.737 -7.632 0.399 365 HA CYS 49 HA CYS 49 -4.551 -5.401 -0.202 366 HB2 CYS 49 2HB CYS 49 -5.694 -7.408 0.544 367 HB3 CYS 49 1HB CYS 49 -4.657 -7.516 1.960 368 HG CYS 49 HG CYS 49 -5.914 -5.586 3.038 369 H ILE 50 H ILE 50 -3.533 -3.553 0.272 370 HA ILE 50 HA ILE 50 -1.641 -3.316 2.407 371 HB ILE 50 HB ILE 50 -2.923 -1.099 0.812 372 HG12 ILE 50 2HG1 ILE 50 -0.215 -1.842 0.054 373 HG13 ILE 50 1HG1 ILE 50 -1.337 -3.182 -0.155 374 HG21 ILE 50 1HG2 ILE 50 -0.671 -1.254 2.742 375 HG22 ILE 50 2HG2 ILE 50 -1.860 0.023 2.488 376 HG23 ILE 50 3HG2 ILE 50 -0.511 -0.161 1.367 377 HD11 ILE 50 3HD1 ILE 50 -2.675 -1.949 -1.655 378 HD12 ILE 50 1HD1 ILE 50 -1.001 -1.692 -2.149 379 HD13 ILE 50 2HD1 ILE 50 -1.859 -0.438 -1.252 380 H ARG 51 H ARG 51 -1.782 -1.986 4.237 381 HA ARG 51 HA ARG 51 -4.392 -0.989 5.041 382 HB2 ARG 51 2HB ARG 51 -2.879 -2.835 6.877 383 HB3 ARG 51 1HB ARG 51 -4.520 -2.229 7.059 384 HG2 ARG 51 2HG ARG 51 -5.144 -3.531 5.025 385 HG3 ARG 51 1HG ARG 51 -3.531 -4.244 5.058 386 HD2 ARG 51 2HD ARG 51 -4.890 -4.371 7.631 387 HD3 ARG 51 1HD ARG 51 -5.758 -5.208 6.346 388 HE ARG 51 HE ARG 51 -3.229 -6.101 6.048 389 HH11 ARG 51 1HH1 ARG 51 -5.375 -5.920 8.794 390 HH12 ARG 51 2HH1 ARG 51 -4.699 -7.312 9.572 391 HH21 ARG 51 1HH2 ARG 51 -2.339 -7.932 7.070 392 HH22 ARG 51 2HH2 ARG 51 -2.975 -8.454 8.593 393 H TYR 52 H TYR 52 -4.293 0.674 6.534 394 HA TYR 52 HA TYR 52 -1.674 1.375 7.634 395 HB2 TYR 52 2HB TYR 52 -1.791 3.652 6.852 396 HB3 TYR 52 1HB TYR 52 -1.953 2.580 5.466 397 HD1 TYR 52 1HD TYR 52 -3.774 4.860 7.723 398 HD2 TYR 52 2HD TYR 52 -3.945 2.558 4.149 399 HE1 TYR 52 1HE TYR 52 -5.858 6.004 7.093 400 HE2 TYR 52 2HE TYR 52 -6.030 3.695 3.509 401 HH TYR 52 HH TYR 52 -7.838 4.924 4.507 402 H GLY 53 H GLY 53 -1.817 3.100 9.290 403 HA2 GLY 53 2HA GLY 53 -2.739 4.012 11.185 404 HA3 GLY 53 1HA GLY 53 -4.295 3.928 10.373 405 H PHE 54 H PHE 54 -4.512 3.534 12.924 406 HA PHE 54 HA PHE 54 -4.830 0.625 13.203 407 HB2 PHE 54 2HB PHE 54 -3.352 2.487 14.938 408 HB3 PHE 54 1HB PHE 54 -4.464 1.423 15.792 409 HD1 PHE 54 1HD PHE 54 -1.602 1.468 13.447 410 HD2 PHE 54 2HD PHE 54 -3.932 -0.826 16.170 411 HE1 PHE 54 1HE PHE 54 0.055 -0.347 13.330 412 HE2 PHE 54 2HE PHE 54 -2.280 -2.645 16.058 413 HZ PHE 54 HZ PHE 54 -0.283 -2.407 14.637 414 HA PRO 55 HA PRO 55 -6.139 -0.867 13.853 415 HB2 PRO 55 2HB PRO 55 -8.795 -1.240 12.671 416 HB3 PRO 55 1HB PRO 55 -8.028 -2.119 13.995 417 HG2 PRO 55 2HG PRO 55 -10.098 -0.441 14.399 418 HG3 PRO 55 1HG PRO 55 -8.805 -0.656 15.595 419 HD2 PRO 55 2HD PRO 55 -9.199 1.552 13.605 420 HD3 PRO 55 1HD PRO 55 -8.702 1.648 15.308 421 HA PRO 56 HA PRO 56 -4.789 -0.109 9.690 422 HB2 PRO 56 2HB PRO 56 -5.001 -3.080 9.494 423 HB3 PRO 56 1HB PRO 56 -3.659 -2.015 9.057 424 HG2 PRO 56 2HG PRO 56 -3.577 -3.451 11.296 425 HG3 PRO 56 1HG PRO 56 -2.945 -1.794 11.251 426 HD2 PRO 56 2HD PRO 56 -5.473 -2.826 12.438 427 HD3 PRO 56 1HD PRO 56 -4.429 -1.497 12.978 428 H LYS 57 H LYS 57 -5.919 0.436 7.988 429 HA LYS 57 HA LYS 57 -8.595 -0.633 7.596 430 HB2 LYS 57 2HB LYS 57 -7.083 1.660 6.348 431 HB3 LYS 57 1HB LYS 57 -8.661 1.144 5.768 432 HG2 LYS 57 2HG LYS 57 -9.753 1.911 7.627 433 HG3 LYS 57 1HG LYS 57 -8.333 1.744 8.662 434 HD2 LYS 57 2HD LYS 57 -8.133 3.964 8.447 435 HD3 LYS 57 1HD LYS 57 -7.513 3.614 6.833 436 HE2 LYS 57 2HE LYS 57 -9.822 3.782 5.958 437 HE3 LYS 57 1HE LYS 57 -10.370 4.240 7.570 438 HZ1 LYS 57 3HZ LYS 57 -9.363 6.277 7.433 439 HZ2 LYS 57 1HZ LYS 57 -9.804 6.050 5.816 440 HZ3 LYS 57 2HZ LYS 57 -8.209 5.774 6.304 441 H GLU 58 H GLU 58 -9.203 -0.808 5.122 442 HA GLU 58 HA GLU 58 -7.429 -2.852 4.048 443 HB2 GLU 58 2HB GLU 58 -9.836 -3.333 4.257 444 HB3 GLU 58 1HB GLU 58 -10.191 -2.009 3.156 445 HG2 GLU 58 2HG GLU 58 -9.588 -3.183 1.327 446 HG3 GLU 58 1HG GLU 58 -8.310 -4.054 2.172 447 H LEU 59 H LEU 59 -8.237 0.433 3.493 448 HA LEU 59 HA LEU 59 -7.631 1.948 1.912 449 HB2 LEU 59 2HB LEU 59 -5.388 1.101 2.500 450 HB3 LEU 59 1HB LEU 59 -5.535 -0.120 1.253 451 HG LEU 59 HG LEU 59 -5.303 1.439 -0.482 452 HD11 LEU 59 1HD1 LEU 59 -6.765 3.165 -0.107 453 HD12 LEU 59 2HD1 LEU 59 -5.225 3.968 0.199 454 HD13 LEU 59 3HD1 LEU 59 -6.215 3.418 1.550 455 HD21 LEU 59 3HD2 LEU 59 -3.571 2.557 1.713 456 HD22 LEU 59 1HD2 LEU 59 -3.255 2.585 -0.021 457 HD23 LEU 59 2HD2 LEU 59 -3.238 1.054 0.855 458 H MET 60 H MET 60 -9.723 1.346 0.925 459 HA MET 60 HA MET 60 -9.891 -0.456 -1.242 460 HB2 MET 60 2HB MET 60 -12.024 0.673 -1.746 461 HB3 MET 60 1HB MET 60 -11.875 0.268 -0.041 462 HG2 MET 60 2HG MET 60 -11.080 2.647 0.304 463 HG3 MET 60 1HG MET 60 -11.632 2.960 -1.340 464 HE1 MET 60 3HE MET 60 -14.293 4.565 1.184 465 HE2 MET 60 1HE MET 60 -13.186 4.941 -0.136 466 HE3 MET 60 2HE MET 60 -12.553 4.396 1.418 467 HA PRO 61 HA PRO 61 -8.181 1.824 -4.604 468 HB2 PRO 61 2HB PRO 61 -9.700 0.984 -6.679 469 HB3 PRO 61 1HB PRO 61 -8.523 -0.063 -5.879 470 HG2 PRO 61 2HG PRO 61 -11.491 0.072 -5.520 471 HG3 PRO 61 1HG PRO 61 -10.439 -1.352 -5.632 472 HD2 PRO 61 2HD PRO 61 -11.370 -0.378 -3.271 473 HD3 PRO 61 1HD PRO 61 -9.815 -1.217 -3.422 474 HA PRO 62 HA PRO 62 -10.415 5.605 -5.078 475 HB2 PRO 62 2HB PRO 62 -9.374 6.387 -7.510 476 HB3 PRO 62 1HB PRO 62 -8.581 6.635 -5.954 477 HG2 PRO 62 2HG PRO 62 -8.129 4.507 -8.001 478 HG3 PRO 62 1HG PRO 62 -6.947 5.381 -7.009 479 HD2 PRO 62 2HD PRO 62 -7.699 2.874 -6.419 480 HD3 PRO 62 1HD PRO 62 -7.349 4.064 -5.147 481 H GLN 63 H GLN 63 -11.453 6.831 -7.143 482 HA GLN 63 HA GLN 63 -13.053 4.851 -8.618 483 HB2 GLN 63 2HB GLN 63 -13.952 6.763 -6.664 484 HB3 GLN 63 1HB GLN 63 -14.667 7.133 -8.227 485 HG2 GLN 63 2HG GLN 63 -16.061 5.414 -8.102 486 HG3 GLN 63 1HG GLN 63 -14.771 4.302 -7.643 487 HE21 GLN 63 1HE2 GLN 63 -14.655 3.621 -5.600 488 HE22 GLN 63 2HE2 GLN 63 -15.641 4.197 -4.303 489 H ALA 64 H ALA 64 -14.578 6.549 -10.133 490 HA ALA 64 HA ALA 64 -12.879 7.221 -12.239 491 HB1 ALA 64 1HB ALA 64 -15.632 8.333 -11.711 492 HB2 ALA 64 2HB ALA 64 -15.294 6.779 -12.475 493 HB3 ALA 64 3HB ALA 64 -14.798 8.275 -13.265 494 H GLY 65 H GLY 65 -11.253 8.641 -11.954 495 HA2 GLY 65 2HA GLY 65 -10.777 11.028 -12.247 496 HA3 GLY 65 1HA GLY 65 -11.992 11.344 -11.019 497 H MET 66 H MET 66 -11.146 9.216 -9.256 498 HA MET 66 HA MET 66 -8.917 10.600 -8.016 499 HB2 MET 66 2HB MET 66 -11.038 8.762 -7.139 500 HB3 MET 66 1HB MET 66 -9.485 8.503 -6.356 501 HG2 MET 66 2HG MET 66 -9.500 11.013 -5.896 502 HG3 MET 66 1HG MET 66 -11.206 10.954 -6.333 503 HE1 MET 66 3HE MET 66 -9.150 9.505 -2.572 504 HE2 MET 66 1HE MET 66 -9.220 11.191 -3.087 505 HE3 MET 66 2HE MET 66 -8.415 9.993 -4.100 506 H GLU 67 H GLU 67 -9.335 7.952 -10.081 507 HA GLU 67 HA GLU 67 -7.483 6.088 -9.221 508 HB2 GLU 67 2HB GLU 67 -7.202 5.539 -11.659 509 HB3 GLU 67 1HB GLU 67 -8.867 5.579 -11.095 510 HG2 GLU 67 2HG GLU 67 -9.186 7.762 -12.072 511 HG3 GLU 67 1HG GLU 67 -7.492 7.823 -12.553 512 H LYS 68 H LYS 68 -6.962 9.225 -10.629 513 HA LYS 68 HA LYS 68 -4.158 8.747 -11.155 514 HB2 LYS 68 2HB LYS 68 -5.722 11.332 -11.234 515 HB3 LYS 68 1HB LYS 68 -4.101 11.083 -11.866 516 HG2 LYS 68 2HG LYS 68 -4.871 9.734 -13.620 517 HG3 LYS 68 1HG LYS 68 -6.447 9.500 -12.860 518 HD2 LYS 68 2HD LYS 68 -5.485 12.217 -13.704 519 HD3 LYS 68 1HD LYS 68 -6.302 11.132 -14.830 520 HE2 LYS 68 2HE LYS 68 -7.836 11.169 -12.461 521 HE3 LYS 68 1HE LYS 68 -7.426 12.843 -12.831 522 HZ1 LYS 68 3HZ LYS 68 -8.143 11.973 -15.235 523 HZ2 LYS 68 1HZ LYS 68 -9.229 12.671 -14.142 524 HZ3 LYS 68 2HZ LYS 68 -9.129 10.988 -14.277 525 H GLU 69 H GLU 69 -6.096 9.857 -8.540 526 HA GLU 69 HA GLU 69 -4.194 11.490 -7.229 527 HB2 GLU 69 2HB GLU 69 -6.611 9.978 -6.249 528 HB3 GLU 69 1HB GLU 69 -5.616 10.954 -5.178 529 HG2 GLU 69 2HG GLU 69 -6.540 12.282 -7.637 530 HG3 GLU 69 1HG GLU 69 -7.787 11.871 -6.460 531 HA PRO 70 HA PRO 70 -1.431 8.432 -5.633 532 HB2 PRO 70 2HB PRO 70 -0.332 9.803 -3.582 533 HB3 PRO 70 1HB PRO 70 0.020 10.185 -5.271 534 HG2 PRO 70 2HG PRO 70 -1.883 11.521 -3.383 535 HG3 PRO 70 1HG PRO 70 -0.748 12.254 -4.533 536 HD2 PRO 70 2HD PRO 70 -3.402 11.977 -5.049 537 HD3 PRO 70 1HD PRO 70 -2.163 11.944 -6.320 538 H VAL 71 H VAL 71 -0.817 7.356 -3.549 539 HA VAL 71 HA VAL 71 -3.156 6.418 -2.235 540 HB VAL 71 HB VAL 71 -1.437 5.233 -0.733 541 HG11 VAL 71 1HG1 VAL 71 -0.777 4.314 -3.407 542 HG12 VAL 71 2HG1 VAL 71 -2.499 4.646 -3.214 543 HG13 VAL 71 3HG1 VAL 71 -1.694 3.515 -2.128 544 HG21 VAL 71 3HG2 VAL 71 0.311 7.032 -1.741 545 HG22 VAL 71 1HG2 VAL 71 0.599 5.660 -2.810 546 HG23 VAL 71 2HG2 VAL 71 0.774 5.469 -1.066 547 HA PRO 72 HA PRO 72 -3.449 8.978 1.350 548 HB2 PRO 72 2HB PRO 72 -3.982 7.213 3.334 549 HB3 PRO 72 1HB PRO 72 -5.151 7.599 2.067 550 HG2 PRO 72 2HG PRO 72 -3.273 5.269 2.251 551 HG3 PRO 72 1HG PRO 72 -5.000 5.274 1.852 552 HD2 PRO 72 2HD PRO 72 -3.125 5.131 -0.058 553 HD3 PRO 72 1HD PRO 72 -4.629 6.042 -0.305 554 H LEU 73 H LEU 73 -0.911 6.785 1.041 555 HA LEU 73 HA LEU 73 0.296 7.471 3.609 556 HB2 LEU 73 2HB LEU 73 1.677 5.720 1.645 557 HB3 LEU 73 1HB LEU 73 1.607 5.605 3.394 558 HG LEU 73 HG LEU 73 -0.779 4.994 1.663 559 HD11 LEU 73 1HD1 LEU 73 -0.139 2.588 2.060 560 HD12 LEU 73 2HD1 LEU 73 1.466 3.186 2.487 561 HD13 LEU 73 3HD1 LEU 73 0.820 3.470 0.872 562 HD21 LEU 73 3HD2 LEU 73 -0.102 3.984 4.410 563 HD22 LEU 73 1HD2 LEU 73 -1.654 3.933 3.574 564 HD23 LEU 73 2HD2 LEU 73 -1.006 5.474 4.138 565 H GLN 74 H GLN 74 2.352 8.418 3.781 566 HA GLN 74 HA GLN 74 3.360 9.708 1.335 567 HB2 GLN 74 2HB GLN 74 2.941 10.975 4.043 568 HB3 GLN 74 1HB GLN 74 3.885 11.712 2.757 569 HG2 GLN 74 2HG GLN 74 0.951 11.054 2.685 570 HG3 GLN 74 1HG GLN 74 1.675 12.657 2.797 571 HE21 GLN 74 1HE2 GLN 74 -0.146 11.530 0.800 572 HE22 GLN 74 2HE2 GLN 74 0.653 11.706 -0.721 573 H HIS 75 H HIS 75 5.556 10.875 2.004 574 HA HIS 75 HA HIS 75 7.445 8.866 2.401 575 HB2 HIS 75 2HB HIS 75 7.737 11.194 1.353 576 HB3 HIS 75 1HB HIS 75 7.973 11.771 3.000 577 HD1 HIS 75 1HD HIS 75 9.589 8.976 3.683 578 HD2 HIS 75 2HD HIS 75 10.437 11.839 0.793 579 HE1 HIS 75 1HE HIS 75 12.040 8.724 3.188 580 HE2 HIS 75 2HE HIS 75 12.512 10.409 1.376 581 H GLY 76 H GLY 76 7.603 7.690 4.208 582 HA2 GLY 76 2HA GLY 76 8.609 7.595 6.402 583 HA3 GLY 76 1HA GLY 76 7.876 9.152 6.753 584 H ASP 77 H ASP 77 5.753 7.086 5.102 585 HA ASP 77 HA ASP 77 4.221 6.711 7.547 586 HB2 ASP 77 2HB ASP 77 3.516 7.259 4.911 587 HB3 ASP 77 1HB ASP 77 3.036 5.582 5.139 588 H ARG 78 H ARG 78 2.848 4.502 7.323 589 HA ARG 78 HA ARG 78 4.620 2.269 6.698 590 HB2 ARG 78 2HB ARG 78 4.143 1.235 8.931 591 HB3 ARG 78 1HB ARG 78 5.177 2.655 8.998 592 HG2 ARG 78 2HG ARG 78 2.249 3.020 9.360 593 HG3 ARG 78 1HG ARG 78 3.187 2.321 10.681 594 HD2 ARG 78 2HD ARG 78 4.111 4.829 9.335 595 HD3 ARG 78 1HD ARG 78 2.848 4.894 10.561 596 HE ARG 78 HE ARG 78 4.402 4.202 12.178 597 HH11 ARG 78 1HH1 ARG 78 5.871 4.515 9.019 598 HH12 ARG 78 2HH1 ARG 78 7.485 4.541 9.641 599 HH21 ARG 78 1HH2 ARG 78 6.526 4.235 12.985 600 HH22 ARG 78 2HH2 ARG 78 7.858 4.381 11.888 601 H ILE 79 H ILE 79 3.555 0.336 6.296 602 HA ILE 79 HA ILE 79 0.648 0.307 6.555 603 HB ILE 79 HB ILE 79 0.654 -0.639 4.114 604 HG12 ILE 79 2HG1 ILE 79 2.963 1.304 3.964 605 HG13 ILE 79 1HG1 ILE 79 3.155 -0.446 3.934 606 HG21 ILE 79 1HG2 ILE 79 0.930 2.304 4.138 607 HG22 ILE 79 2HG2 ILE 79 -0.253 1.596 5.234 608 HG23 ILE 79 3HG2 ILE 79 -0.364 1.291 3.502 609 HD11 ILE 79 3HD1 ILE 79 1.471 1.038 1.945 610 HD12 ILE 79 1HD1 ILE 79 2.050 -0.624 1.861 611 HD13 ILE 79 2HD1 ILE 79 3.187 0.715 1.708 612 H THR 80 H THR 80 -0.261 -1.824 5.819 613 HA THR 80 HA THR 80 1.631 -4.029 6.227 614 HB THR 80 HB THR 80 -1.089 -3.818 7.524 615 HG1 THR 80 1HG THR 80 0.445 -2.479 8.534 616 HG21 THR 80 3HG2 THR 80 0.844 -5.787 8.505 617 HG22 THR 80 1HG2 THR 80 0.179 -6.121 6.906 618 HG23 THR 80 2HG2 THR 80 -0.901 -5.911 8.285 619 H ILE 81 H ILE 81 1.452 -5.559 4.733 620 HA ILE 81 HA ILE 81 -0.857 -5.477 2.935 621 HB ILE 81 HB ILE 81 1.743 -6.949 2.529 622 HG12 ILE 81 2HG1 ILE 81 2.226 -4.585 2.696 623 HG13 ILE 81 1HG1 ILE 81 2.319 -5.065 1.005 624 HG21 ILE 81 1HG2 ILE 81 1.028 -6.895 0.147 625 HG22 ILE 81 2HG2 ILE 81 -0.521 -6.237 0.674 626 HG23 ILE 81 3HG2 ILE 81 -0.027 -7.850 1.189 627 HD11 ILE 81 3HD1 ILE 81 0.539 -3.172 2.330 628 HD12 ILE 81 1HD1 ILE 81 -0.276 -4.271 1.218 629 HD13 ILE 81 2HD1 ILE 81 1.054 -3.265 0.646 630 H GLU 82 H GLU 82 -1.862 -7.431 2.237 631 HA GLU 82 HA GLU 82 -1.440 -9.753 3.979 632 HB2 GLU 82 2HB GLU 82 -3.304 -8.920 5.056 633 HB3 GLU 82 1HB GLU 82 -3.958 -8.194 3.598 634 HG2 GLU 82 2HG GLU 82 -4.663 -10.356 2.788 635 HG3 GLU 82 1HG GLU 82 -3.905 -11.150 4.166 636 H ILE 83 H ILE 83 -0.974 -11.435 2.738 637 HA ILE 83 HA ILE 83 -1.367 -11.483 -0.054 638 HB ILE 83 HB ILE 83 -0.776 -13.770 1.828 639 HG12 ILE 83 2HG1 ILE 83 1.470 -13.186 0.283 640 HG13 ILE 83 1HG1 ILE 83 0.828 -11.607 0.719 641 HG21 ILE 83 1HG2 ILE 83 0.042 -14.930 -0.207 642 HG22 ILE 83 2HG2 ILE 83 -0.626 -13.619 -1.180 643 HG23 ILE 83 3HG2 ILE 83 -1.698 -14.639 -0.220 644 HD11 ILE 83 3HD1 ILE 83 1.993 -13.729 2.431 645 HD12 ILE 83 1HD1 ILE 83 0.735 -12.701 3.115 646 HD13 ILE 83 2HD1 ILE 83 2.214 -11.980 2.481 647 H LEU 84 H LEU 84 -3.348 -11.484 -0.914 648 HA LEU 84 HA LEU 84 -5.601 -12.691 0.338 649 HB2 LEU 84 2HB LEU 84 -5.298 -11.756 -2.513 650 HB3 LEU 84 1HB LEU 84 -6.809 -12.096 -1.695 651 HG LEU 84 HG LEU 84 -4.893 -9.843 -1.110 652 HD11 LEU 84 1HD1 LEU 84 -7.275 -8.695 -1.492 653 HD12 LEU 84 2HD1 LEU 84 -7.473 -10.113 -2.523 654 HD13 LEU 84 3HD1 LEU 84 -6.133 -9.000 -2.802 655 HD21 LEU 84 3HD2 LEU 84 -5.597 -10.186 1.018 656 HD22 LEU 84 1HD2 LEU 84 -7.056 -11.041 0.517 657 HD23 LEU 84 2HD2 LEU 84 -6.994 -9.280 0.438 658 H LYS 85 H LYS 85 -7.023 -14.166 -1.215 659 HA LYS 85 HA LYS 85 -5.386 -16.532 -1.684 660 HB2 LYS 85 2HB LYS 85 -7.661 -16.356 -0.335 661 HB3 LYS 85 1HB LYS 85 -8.361 -16.567 -1.934 662 HG2 LYS 85 2HG LYS 85 -8.205 -18.747 -1.471 663 HG3 LYS 85 1HG LYS 85 -6.508 -18.548 -1.909 664 HD2 LYS 85 2HD LYS 85 -7.613 -18.293 0.887 665 HD3 LYS 85 1HD LYS 85 -6.824 -19.734 0.241 666 HE2 LYS 85 2HE LYS 85 -4.936 -17.946 -0.336 667 HE3 LYS 85 1HE LYS 85 -5.666 -17.123 1.041 668 HZ1 LYS 85 3HZ LYS 85 -5.086 -19.959 1.369 669 HZ2 LYS 85 1HZ LYS 85 -4.940 -18.688 2.477 670 HZ3 LYS 85 2HZ LYS 85 -3.751 -18.922 1.297 671 H GLY 86 H GLY 86 -4.471 -16.321 -3.649 672 HA2 GLY 86 2HA GLY 86 -6.305 -16.381 -5.940 673 HA3 GLY 86 1HA GLY 86 -4.997 -15.209 -5.942 Start of MODEL 3 1 H1 LYS 6 H LYS 6 11.282 13.577 -8.122 2 HA LYS 6 HA LYS 6 12.434 12.351 -5.886 3 HB2 LYS 6 2HB LYS 6 11.623 14.784 -6.210 4 HB3 LYS 6 1HB LYS 6 10.055 14.180 -5.693 5 HG2 LYS 6 2HG LYS 6 10.810 14.778 -3.663 6 HG3 LYS 6 1HG LYS 6 11.592 13.196 -3.724 7 HD2 LYS 6 2HD LYS 6 13.527 14.517 -4.878 8 HD3 LYS 6 1HD LYS 6 12.771 15.915 -4.111 9 HE2 LYS 6 2HE LYS 6 12.826 14.313 -2.000 10 HE3 LYS 6 1HE LYS 6 14.166 13.592 -2.891 11 HZ1 LYS 6 3HZ LYS 6 14.152 16.499 -2.643 12 HZ2 LYS 6 1HZ LYS 6 15.452 15.416 -2.613 13 HZ3 LYS 6 2HZ LYS 6 14.487 15.617 -1.239 14 H GLU 7 H GLU 7 11.879 10.504 -4.949 15 HA GLU 7 HA GLU 7 9.043 9.720 -4.949 16 HB2 GLU 7 2HB GLU 7 11.563 8.198 -5.327 17 HB3 GLU 7 1HB GLU 7 10.283 7.401 -4.428 18 HG2 GLU 7 2HG GLU 7 9.097 7.005 -6.265 19 HG3 GLU 7 1HG GLU 7 9.311 8.650 -6.857 20 H LYS 8 H LYS 8 8.192 8.741 -3.071 21 HA LYS 8 HA LYS 8 9.535 9.585 -0.619 22 HB2 LYS 8 2HB LYS 8 7.399 9.452 0.453 23 HB3 LYS 8 1HB LYS 8 7.174 10.304 -1.065 24 HG2 LYS 8 2HG LYS 8 6.743 7.557 -1.573 25 HG3 LYS 8 1HG LYS 8 5.859 7.971 -0.104 26 HD2 LYS 8 2HD LYS 8 5.217 10.089 -1.624 27 HD3 LYS 8 1HD LYS 8 5.451 8.880 -2.888 28 HE2 LYS 8 2HE LYS 8 3.815 7.440 -1.909 29 HE3 LYS 8 1HE LYS 8 3.703 8.454 -0.472 30 HZ1 LYS 8 3HZ LYS 8 2.598 8.897 -3.150 31 HZ2 LYS 8 1HZ LYS 8 3.034 10.248 -2.231 32 HZ3 LYS 8 2HZ LYS 8 1.888 9.155 -1.637 33 H LYS 9 H LYS 9 9.717 8.158 1.170 34 HA LYS 9 HA LYS 9 9.828 5.334 0.373 35 HB2 LYS 9 2HB LYS 9 12.014 6.211 0.920 36 HB3 LYS 9 1HB LYS 9 11.420 6.840 2.451 37 HG2 LYS 9 2HG LYS 9 10.941 3.995 2.196 38 HG3 LYS 9 1HG LYS 9 12.651 4.401 2.027 39 HD2 LYS 9 2HD LYS 9 11.191 5.732 4.226 40 HD3 LYS 9 1HD LYS 9 11.456 3.995 4.398 41 HE2 LYS 9 2HE LYS 9 13.701 4.223 4.613 42 HE3 LYS 9 1HE LYS 9 13.775 5.607 3.524 43 HZ1 LYS 9 3HZ LYS 9 13.377 5.528 6.403 44 HZ2 LYS 9 1HZ LYS 9 12.456 6.673 5.562 45 HZ3 LYS 9 2HZ LYS 9 14.142 6.695 5.446 46 H ILE 10 H ILE 10 8.701 3.843 1.472 47 HA ILE 10 HA ILE 10 7.512 4.592 4.041 48 HB ILE 10 HB ILE 10 5.681 3.007 2.415 49 HG12 ILE 10 2HG1 ILE 10 6.504 5.760 1.480 50 HG13 ILE 10 1HG1 ILE 10 6.409 4.278 0.536 51 HG21 ILE 10 1HG2 ILE 10 5.542 5.467 4.128 52 HG22 ILE 10 2HG2 ILE 10 4.897 3.857 4.448 53 HG23 ILE 10 3HG2 ILE 10 4.142 4.882 3.231 54 HD11 ILE 10 3HD1 ILE 10 4.596 5.752 -0.040 55 HD12 ILE 10 1HD1 ILE 10 4.094 5.844 1.648 56 HD13 ILE 10 2HD1 ILE 10 3.962 4.319 0.771 57 H ARG 11 H ARG 11 6.602 2.700 5.207 58 HA ARG 11 HA ARG 11 8.359 0.394 4.812 59 HB2 ARG 11 2HB ARG 11 8.366 1.446 7.023 60 HB3 ARG 11 1HB ARG 11 6.635 1.173 7.170 61 HG2 ARG 11 2HG ARG 11 7.230 -1.318 6.864 62 HG3 ARG 11 1HG ARG 11 8.871 -0.810 7.272 63 HD2 ARG 11 2HD ARG 11 6.391 -0.459 8.950 64 HD3 ARG 11 1HD ARG 11 7.739 -1.549 9.270 65 HE ARG 11 HE ARG 11 7.627 1.280 9.794 66 HH11 ARG 11 1HH1 ARG 11 9.719 -1.463 9.265 67 HH12 ARG 11 2HH1 ARG 11 11.065 -0.753 10.090 68 HH21 ARG 11 1HH2 ARG 11 9.396 2.215 10.881 69 HH22 ARG 11 2HH2 ARG 11 10.882 1.335 11.008 70 H ILE 12 H ILE 12 7.587 -1.736 4.767 71 HA ILE 12 HA ILE 12 4.689 -2.049 4.383 72 HB ILE 12 HB ILE 12 6.802 -3.347 2.658 73 HG12 ILE 12 2HG1 ILE 12 4.687 -1.453 1.677 74 HG13 ILE 12 1HG1 ILE 12 6.207 -0.835 2.316 75 HG21 ILE 12 1HG2 ILE 12 4.890 -4.219 1.386 76 HG22 ILE 12 2HG2 ILE 12 3.794 -3.516 2.574 77 HG23 ILE 12 3HG2 ILE 12 4.903 -4.802 3.051 78 HD11 ILE 12 3HD1 ILE 12 7.438 -2.090 0.635 79 HD12 ILE 12 1HD1 ILE 12 6.252 -1.022 -0.115 80 HD13 ILE 12 2HD1 ILE 12 5.928 -2.752 0.009 81 H THR 13 H THR 13 3.822 -3.997 5.059 82 HA THR 13 HA THR 13 5.583 -6.083 6.034 83 HB THR 13 HB THR 13 3.563 -5.153 8.009 84 HG1 THR 13 1HG THR 13 4.923 -3.611 8.805 85 HG21 THR 13 3HG2 THR 13 5.896 -6.860 7.952 86 HG22 THR 13 1HG2 THR 13 4.564 -6.793 9.104 87 HG23 THR 13 2HG2 THR 13 5.934 -5.697 9.277 88 H THR 14 H THR 14 4.755 -7.938 5.351 89 HA THR 14 HA THR 14 1.915 -8.079 4.736 90 HB THR 14 HB THR 14 2.370 -9.793 3.294 91 HG1 THR 14 1HG THR 14 3.300 -11.450 4.140 92 HG21 THR 14 3HG2 THR 14 3.777 -7.862 2.645 93 HG22 THR 14 1HG2 THR 14 4.382 -9.419 2.083 94 HG23 THR 14 2HG2 THR 14 5.130 -8.631 3.472 95 H ASN 15 H ASN 15 0.493 -9.448 5.603 96 HA ASN 15 HA ASN 15 0.577 -10.087 8.269 97 HB2 ASN 15 2HB ASN 15 -1.304 -11.682 7.754 98 HB3 ASN 15 1HB ASN 15 -1.521 -10.050 7.129 99 HD21 ASN 15 1HD2 ASN 15 -3.022 -11.983 6.069 100 HD22 ASN 15 2HD2 ASN 15 -2.492 -12.379 4.473 101 H ASP 16 H ASP 16 1.873 -11.915 5.594 102 HA ASP 16 HA ASP 16 2.030 -14.438 6.793 103 HB2 ASP 16 2HB ASP 16 2.809 -13.375 4.379 104 HB3 ASP 16 1HB ASP 16 4.352 -13.756 5.138 105 H GLY 17 H GLY 17 3.751 -11.535 7.441 106 HA2 GLY 17 2HA GLY 17 4.860 -11.386 9.597 107 HA3 GLY 17 1HA GLY 17 5.456 -13.019 9.336 108 H ARG 18 H ARG 18 5.442 -10.607 6.793 109 HA ARG 18 HA ARG 18 8.353 -10.302 7.142 110 HB2 ARG 18 2HB ARG 18 8.827 -10.774 4.911 111 HB3 ARG 18 1HB ARG 18 7.614 -11.976 5.325 112 HG2 ARG 18 2HG ARG 18 5.903 -10.506 4.285 113 HG3 ARG 18 1HG ARG 18 7.208 -9.451 3.745 114 HD2 ARG 18 2HD ARG 18 6.602 -10.947 1.954 115 HD3 ARG 18 1HD ARG 18 8.207 -11.360 2.548 116 HE ARG 18 HE ARG 18 7.376 -13.357 3.369 117 HH11 ARG 18 1HH1 ARG 18 4.750 -11.358 2.224 118 HH12 ARG 18 2HH1 ARG 18 3.620 -12.667 2.161 119 HH21 ARG 18 1HH2 ARG 18 5.888 -15.075 3.282 120 HH22 ARG 18 2HH2 ARG 18 4.268 -14.776 2.749 121 H GLN 19 H GLN 19 9.269 -8.396 6.084 122 HA GLN 19 HA GLN 19 7.355 -6.315 5.369 123 HB2 GLN 19 2HB GLN 19 8.760 -4.742 6.910 124 HB3 GLN 19 1HB GLN 19 7.461 -5.707 7.593 125 HG2 GLN 19 2HG GLN 19 9.188 -5.979 9.105 126 HG3 GLN 19 1HG GLN 19 9.287 -7.434 8.112 127 HE21 GLN 19 1HE2 GLN 19 10.635 -4.204 8.532 128 HE22 GLN 19 2HE2 GLN 19 12.202 -4.580 7.906 129 H SER 20 H SER 20 8.372 -4.386 4.474 130 HA SER 20 HA SER 20 11.130 -4.414 3.744 131 HB2 SER 20 2HB SER 20 9.635 -6.016 2.133 132 HB3 SER 20 1HB SER 20 9.490 -4.475 1.287 133 HG SER 20 HG SER 20 11.540 -6.157 1.289 134 H MET 21 H MET 21 11.628 -2.579 2.216 135 HA MET 21 HA MET 21 9.728 -0.376 2.667 136 HB2 MET 21 2HB MET 21 11.529 1.135 2.936 137 HB3 MET 21 1HB MET 21 11.939 -0.270 3.905 138 HG2 MET 21 2HG MET 21 12.966 0.022 1.109 139 HG3 MET 21 1HG MET 21 13.760 0.822 2.463 140 HE1 MET 21 3HE MET 21 14.461 -2.016 0.266 141 HE2 MET 21 1HE MET 21 12.792 -2.378 0.700 142 HE3 MET 21 2HE MET 21 14.083 -3.478 1.176 143 H VAL 22 H VAL 22 9.534 1.224 1.074 144 HA VAL 22 HA VAL 22 10.563 0.516 -1.579 145 HB VAL 22 HB VAL 22 8.305 1.132 -2.511 146 HG11 VAL 22 1HG1 VAL 22 7.292 -1.097 -1.945 147 HG12 VAL 22 2HG1 VAL 22 8.625 -1.330 -0.816 148 HG13 VAL 22 3HG1 VAL 22 8.950 -1.154 -2.540 149 HG21 VAL 22 3HG2 VAL 22 7.516 2.235 -0.419 150 HG22 VAL 22 1HG2 VAL 22 7.359 0.632 0.299 151 HG23 VAL 22 2HG2 VAL 22 6.380 1.070 -1.102 152 H THR 23 H THR 23 9.995 2.328 -3.181 153 HA THR 23 HA THR 23 10.361 4.929 -1.843 154 HB THR 23 HB THR 23 12.348 4.023 -3.127 155 HG1 THR 23 1HG THR 23 11.886 6.310 -2.739 156 HG21 THR 23 3HG2 THR 23 12.356 3.700 -5.355 157 HG22 THR 23 1HG2 THR 23 11.126 4.929 -5.648 158 HG23 THR 23 2HG2 THR 23 10.654 3.333 -5.068 159 H LEU 24 H LEU 24 7.841 4.151 -2.174 160 HA LEU 24 HA LEU 24 6.380 4.384 -4.401 161 HB2 LEU 24 2HB LEU 24 5.880 4.669 -1.679 162 HB3 LEU 24 1HB LEU 24 5.235 6.135 -2.391 163 HG LEU 24 HG LEU 24 3.799 4.843 -3.861 164 HD11 LEU 24 1HD1 LEU 24 3.660 2.352 -3.469 165 HD12 LEU 24 2HD1 LEU 24 5.209 2.486 -2.639 166 HD13 LEU 24 3HD1 LEU 24 5.080 2.920 -4.344 167 HD21 LEU 24 3HD2 LEU 24 3.182 5.369 -1.440 168 HD22 LEU 24 1HD2 LEU 24 3.502 3.666 -1.116 169 HD23 LEU 24 2HD2 LEU 24 2.244 4.123 -2.264 170 H LYS 25 H LYS 25 5.890 5.823 -5.936 171 HA LYS 25 HA LYS 25 7.366 8.252 -6.112 172 HB2 LYS 25 2HB LYS 25 5.811 6.600 -7.857 173 HB3 LYS 25 1HB LYS 25 5.257 8.260 -8.011 174 HG2 LYS 25 2HG LYS 25 8.137 7.418 -8.237 175 HG3 LYS 25 1HG LYS 25 7.047 7.610 -9.610 176 HD2 LYS 25 2HD LYS 25 7.874 9.750 -7.650 177 HD3 LYS 25 1HD LYS 25 8.381 9.612 -9.335 178 HE2 LYS 25 2HE LYS 25 5.596 9.571 -9.416 179 HE3 LYS 25 1HE LYS 25 5.996 10.797 -8.215 180 HZ1 LYS 25 3HZ LYS 25 6.401 10.815 -11.078 181 HZ2 LYS 25 1HZ LYS 25 7.717 11.385 -10.180 182 HZ3 LYS 25 2HZ LYS 25 6.198 12.107 -10.005 183 H SER 26 H SER 26 6.485 10.390 -6.336 184 HA SER 26 HA SER 26 4.762 11.131 -4.268 185 HB2 SER 26 2HB SER 26 4.924 13.352 -5.101 186 HB3 SER 26 1HB SER 26 6.464 12.584 -5.486 187 HG SER 26 HG SER 26 6.063 12.969 -7.500 188 H SER 27 H SER 27 4.128 10.626 -7.708 189 HA SER 27 HA SER 27 1.266 11.074 -7.216 190 HB2 SER 27 2HB SER 27 1.016 11.423 -9.581 191 HB3 SER 27 1HB SER 27 2.402 12.374 -9.048 192 HG SER 27 HG SER 27 3.760 10.951 -9.998 193 H THR 28 H THR 28 2.293 8.713 -6.225 194 HA THR 28 HA THR 28 1.614 6.652 -8.182 195 HB THR 28 HB THR 28 3.168 6.721 -5.646 196 HG1 THR 28 1HG THR 28 4.392 5.184 -6.988 197 HG21 THR 28 3HG2 THR 28 3.113 4.096 -5.876 198 HG22 THR 28 1HG2 THR 28 1.467 4.420 -6.423 199 HG23 THR 28 2HG2 THR 28 1.988 4.960 -4.828 200 H THR 29 H THR 29 -0.467 6.181 -8.325 201 HA THR 29 HA THR 29 -2.288 6.583 -6.134 202 HB THR 29 HB THR 29 -3.099 7.053 -8.341 203 HG1 THR 29 1HG THR 29 -4.336 4.592 -7.779 204 HG21 THR 29 3HG2 THR 29 -2.447 5.932 -10.124 205 HG22 THR 29 1HG2 THR 29 -3.361 4.531 -9.564 206 HG23 THR 29 2HG2 THR 29 -1.667 4.721 -9.107 207 H PHE 30 H PHE 30 -3.965 4.679 -5.829 208 HA PHE 30 HA PHE 30 -2.815 2.710 -4.318 209 HB2 PHE 30 2HB PHE 30 -5.227 3.199 -4.316 210 HB3 PHE 30 1HB PHE 30 -5.377 2.459 -5.907 211 HD1 PHE 30 2HD PHE 30 -4.339 1.710 -2.418 212 HD2 PHE 30 1HD PHE 30 -5.843 0.198 -6.101 213 HE1 PHE 30 2HE PHE 30 -4.715 -0.479 -1.360 214 HE2 PHE 30 1HE PHE 30 -6.223 -1.994 -5.050 215 HZ PHE 30 HZ PHE 30 -5.658 -2.335 -2.677 216 H PHE 31 H PHE 31 -3.550 2.594 -7.775 217 HA PHE 31 HA PHE 31 -2.863 -0.110 -8.186 218 HB2 PHE 31 2HB PHE 31 -2.867 2.255 -10.066 219 HB3 PHE 31 1HB PHE 31 -2.570 0.601 -10.589 220 HD1 PHE 31 1HD PHE 31 -5.079 2.828 -9.034 221 HD2 PHE 31 2HD PHE 31 -4.343 -0.884 -10.981 222 HE1 PHE 31 1HE PHE 31 -7.503 2.470 -9.259 223 HE2 PHE 31 2HE PHE 31 -6.765 -1.249 -11.210 224 HZ PHE 31 HZ PHE 31 -8.349 0.429 -10.349 225 H GLU 32 H GLU 32 -0.990 2.879 -8.649 226 HA GLU 32 HA GLU 32 1.401 1.665 -9.460 227 HB2 GLU 32 2HB GLU 32 0.701 4.312 -8.254 228 HB3 GLU 32 1HB GLU 32 2.393 3.857 -8.393 229 HG2 GLU 32 2HG GLU 32 1.717 3.333 -10.872 230 HG3 GLU 32 1HG GLU 32 0.407 4.458 -10.521 231 H LEU 33 H LEU 33 0.022 2.215 -6.299 232 HA LEU 33 HA LEU 33 2.395 1.630 -4.824 233 HB2 LEU 33 2HB LEU 33 0.794 2.919 -3.684 234 HB3 LEU 33 1HB LEU 33 -0.517 1.842 -4.124 235 HG LEU 33 HG LEU 33 0.235 0.177 -2.554 236 HD11 LEU 33 1HD1 LEU 33 2.476 2.002 -1.739 237 HD12 LEU 33 2HD1 LEU 33 2.684 0.703 -2.913 238 HD13 LEU 33 3HD1 LEU 33 2.195 0.329 -1.260 239 HD21 LEU 33 3HD2 LEU 33 0.044 1.465 -0.436 240 HD22 LEU 33 1HD2 LEU 33 -1.195 1.867 -1.626 241 HD23 LEU 33 2HD2 LEU 33 0.174 2.950 -1.377 242 H GLN 34 H GLN 34 -0.476 -0.221 -5.768 243 HA GLN 34 HA GLN 34 0.145 -2.602 -4.433 244 HB2 GLN 34 2HB GLN 34 -1.379 -2.175 -7.009 245 HB3 GLN 34 1HB GLN 34 -1.351 -3.684 -6.107 246 HG2 GLN 34 2HG GLN 34 -2.106 -1.350 -4.515 247 HG3 GLN 34 1HG GLN 34 -3.214 -1.723 -5.835 248 HE21 GLN 34 1HE2 GLN 34 -1.295 -3.663 -3.563 249 HE22 GLN 34 2HE2 GLN 34 -2.613 -4.636 -3.015 250 H GLU 35 H GLU 35 1.294 -1.261 -7.439 251 HA GLU 35 HA GLU 35 2.516 -3.689 -8.362 252 HB2 GLU 35 2HB GLU 35 1.781 -1.965 -9.939 253 HB3 GLU 35 1HB GLU 35 2.921 -0.824 -9.238 254 HG2 GLU 35 2HG GLU 35 4.623 -1.621 -10.430 255 HG3 GLU 35 1HG GLU 35 4.182 -3.296 -10.105 256 H SER 36 H SER 36 3.431 -1.063 -6.293 257 HA SER 36 HA SER 36 6.251 -1.407 -6.501 258 HB2 SER 36 2HB SER 36 4.602 -0.135 -4.303 259 HB3 SER 36 1HB SER 36 6.350 0.008 -4.479 260 HG SER 36 HG SER 36 5.832 0.892 -6.636 261 H ILE 37 H ILE 37 3.858 -2.394 -4.055 262 HA ILE 37 HA ILE 37 5.606 -3.765 -2.365 263 HB ILE 37 HB ILE 37 2.720 -4.480 -2.893 264 HG12 ILE 37 2HG1 ILE 37 3.282 -2.864 -0.529 265 HG13 ILE 37 1HG1 ILE 37 3.704 -2.032 -2.022 266 HG21 ILE 37 1HG2 ILE 37 2.777 -5.816 -1.084 267 HG22 ILE 37 2HG2 ILE 37 3.876 -4.755 -0.204 268 HG23 ILE 37 3HG2 ILE 37 4.508 -5.867 -1.417 269 HD11 ILE 37 3HD1 ILE 37 1.193 -2.230 -0.854 270 HD12 ILE 37 1HD1 ILE 37 1.134 -3.305 -2.251 271 HD13 ILE 37 2HD1 ILE 37 1.578 -1.610 -2.460 272 H ALA 38 H ALA 38 3.913 -4.812 -5.270 273 HA ALA 38 HA ALA 38 4.427 -7.558 -5.093 274 HB1 ALA 38 1HB ALA 38 2.938 -7.208 -6.756 275 HB2 ALA 38 2HB ALA 38 4.393 -7.199 -7.754 276 HB3 ALA 38 3HB ALA 38 3.669 -5.676 -7.237 277 H ARG 39 H ARG 39 6.558 -4.940 -5.666 278 HA ARG 39 HA ARG 39 8.549 -6.593 -7.008 279 HB2 ARG 39 2HB ARG 39 9.117 -3.814 -6.067 280 HB3 ARG 39 1HB ARG 39 9.698 -4.644 -7.502 281 HG2 ARG 39 2HG ARG 39 7.226 -4.521 -8.270 282 HG3 ARG 39 1HG ARG 39 7.094 -3.259 -7.043 283 HD2 ARG 39 2HD ARG 39 8.383 -1.803 -8.207 284 HD3 ARG 39 1HD ARG 39 9.399 -3.075 -8.882 285 HE ARG 39 HE ARG 39 7.019 -1.954 -10.042 286 HH11 ARG 39 1HH1 ARG 39 9.133 -4.730 -9.962 287 HH12 ARG 39 2HH1 ARG 39 8.679 -5.277 -11.541 288 HH21 ARG 39 1HH2 ARG 39 6.421 -2.673 -12.119 289 HH22 ARG 39 2HH2 ARG 39 7.140 -4.110 -12.765 290 H GLU 40 H GLU 40 8.080 -4.860 -3.966 291 HA GLU 40 HA GLU 40 10.587 -5.642 -2.853 292 HB2 GLU 40 2HB GLU 40 8.302 -4.032 -2.067 293 HB3 GLU 40 1HB GLU 40 8.904 -5.002 -0.730 294 HG2 GLU 40 2HG GLU 40 9.932 -2.804 -0.771 295 HG3 GLU 40 1HG GLU 40 11.125 -4.075 -1.027 296 H PHE 41 H PHE 41 7.426 -7.061 -3.005 297 HA PHE 41 HA PHE 41 8.375 -9.260 -1.290 298 HB2 PHE 41 2HB PHE 41 5.523 -8.288 -1.557 299 HB3 PHE 41 1HB PHE 41 6.088 -9.594 -0.518 300 HD1 PHE 41 1HD PHE 41 6.731 -5.978 -1.167 301 HD2 PHE 41 2HD PHE 41 6.522 -9.124 1.686 302 HE1 PHE 41 1HE PHE 41 7.151 -4.363 0.642 303 HE2 PHE 41 2HE PHE 41 6.938 -7.517 3.499 304 HZ PHE 41 HZ PHE 41 7.255 -5.136 2.979 305 H ASN 42 H ASN 42 6.504 -11.142 -1.704 306 HA ASN 42 HA ASN 42 6.716 -11.655 -4.595 307 HB2 ASN 42 2HB ASN 42 6.536 -13.672 -2.349 308 HB3 ASN 42 1HB ASN 42 6.759 -14.033 -4.058 309 HD21 ASN 42 1HD2 ASN 42 8.662 -12.549 -4.963 310 HD22 ASN 42 2HD2 ASN 42 10.129 -12.702 -4.062 311 H ILE 43 H ILE 43 4.567 -10.157 -3.901 312 HA ILE 43 HA ILE 43 2.374 -12.050 -4.325 313 HB ILE 43 HB ILE 43 2.116 -9.685 -2.471 314 HG12 ILE 43 2HG1 ILE 43 1.715 -11.909 -0.928 315 HG13 ILE 43 1HG1 ILE 43 3.006 -12.451 -1.996 316 HG21 ILE 43 1HG2 ILE 43 0.235 -12.006 -2.788 317 HG22 ILE 43 2HG2 ILE 43 0.106 -10.549 -3.773 318 HG23 ILE 43 3HG2 ILE 43 -0.062 -10.446 -2.020 319 HD11 ILE 43 3HD1 ILE 43 4.507 -11.296 -0.862 320 HD12 ILE 43 1HD1 ILE 43 3.250 -10.942 0.324 321 HD13 ILE 43 2HD1 ILE 43 3.559 -9.817 -0.998 322 HA PRO 44 HA PRO 44 1.546 -9.217 -7.639 323 HB2 PRO 44 2HB PRO 44 -0.911 -10.136 -8.334 324 HB3 PRO 44 1HB PRO 44 0.583 -10.991 -8.732 325 HG2 PRO 44 2HG PRO 44 -1.359 -11.497 -6.514 326 HG3 PRO 44 1HG PRO 44 -0.526 -12.660 -7.561 327 HD2 PRO 44 2HD PRO 44 0.288 -12.108 -5.028 328 HD3 PRO 44 1HD PRO 44 1.410 -12.583 -6.316 329 HA PRO 45 HA PRO 45 -0.970 -5.918 -6.167 330 HB2 PRO 45 2HB PRO 45 -2.320 -5.091 -8.385 331 HB3 PRO 45 1HB PRO 45 -0.601 -4.777 -8.118 332 HG2 PRO 45 2HG PRO 45 -1.902 -6.908 -9.770 333 HG3 PRO 45 1HG PRO 45 -0.500 -5.894 -10.156 334 HD2 PRO 45 2HD PRO 45 -0.236 -8.440 -9.309 335 HD3 PRO 45 1HD PRO 45 0.940 -7.180 -8.885 336 H TYR 46 H TYR 46 -2.562 -8.594 -7.715 337 HA TYR 46 HA TYR 46 -5.177 -7.726 -6.747 338 HB2 TYR 46 2HB TYR 46 -6.103 -9.546 -8.042 339 HB3 TYR 46 1HB TYR 46 -4.976 -8.639 -9.045 340 HD1 TYR 46 2HD TYR 46 -2.783 -9.608 -9.630 341 HD2 TYR 46 1HD TYR 46 -5.694 -11.837 -7.471 342 HE1 TYR 46 2HE TYR 46 -1.578 -11.686 -10.160 343 HE2 TYR 46 1HE TYR 46 -4.498 -13.920 -7.995 344 HH TYR 46 HH TYR 46 -1.848 -14.414 -8.617 345 H LEU 47 H LEU 47 -2.672 -9.092 -5.288 346 HA LEU 47 HA LEU 47 -4.386 -10.772 -3.589 347 HB2 LEU 47 2HB LEU 47 -1.601 -11.392 -4.558 348 HB3 LEU 47 1HB LEU 47 -2.355 -12.222 -3.211 349 HG LEU 47 HG LEU 47 -3.386 -12.211 -6.049 350 HD11 LEU 47 1HD1 LEU 47 -1.224 -13.554 -5.192 351 HD12 LEU 47 2HD1 LEU 47 -2.335 -14.173 -6.415 352 HD13 LEU 47 3HD1 LEU 47 -2.491 -14.694 -4.736 353 HD21 LEU 47 3HD2 LEU 47 -4.594 -14.274 -4.740 354 HD22 LEU 47 1HD2 LEU 47 -5.324 -12.695 -5.031 355 HD23 LEU 47 2HD2 LEU 47 -4.542 -13.035 -3.487 356 H GLN 48 H GLN 48 -2.697 -8.009 -3.689 357 HA GLN 48 HA GLN 48 -1.628 -8.296 -0.966 358 HB2 GLN 48 2HB GLN 48 -0.962 -6.332 -3.157 359 HB3 GLN 48 1HB GLN 48 -0.372 -6.183 -1.508 360 HG2 GLN 48 2HG GLN 48 0.836 -8.244 -1.689 361 HG3 GLN 48 1HG GLN 48 0.128 -8.566 -3.271 362 HE21 GLN 48 1HE2 GLN 48 0.378 -6.240 -4.581 363 HE22 GLN 48 2HE2 GLN 48 2.040 -5.801 -4.748 364 H CYS 49 H CYS 49 -2.999 -7.620 0.534 365 HA CYS 49 HA CYS 49 -4.769 -5.354 -0.060 366 HB2 CYS 49 2HB CYS 49 -5.950 -7.311 0.729 367 HB3 CYS 49 1HB CYS 49 -4.876 -7.456 2.114 368 HG CYS 49 HG CYS 49 -6.439 -4.849 2.120 369 H ILE 50 H ILE 50 -3.866 -3.478 0.453 370 HA ILE 50 HA ILE 50 -1.834 -3.243 2.465 371 HB ILE 50 HB ILE 50 -3.231 -0.971 1.067 372 HG12 ILE 50 2HG1 ILE 50 -0.815 -2.529 0.119 373 HG13 ILE 50 1HG1 ILE 50 -2.426 -2.641 -0.582 374 HG21 ILE 50 1HG2 ILE 50 -0.481 -1.242 2.273 375 HG22 ILE 50 2HG2 ILE 50 -1.833 -0.328 2.942 376 HG23 ILE 50 3HG2 ILE 50 -1.091 0.178 1.424 377 HD11 ILE 50 3HD1 ILE 50 -1.460 -1.174 -2.022 378 HD12 ILE 50 1HD1 ILE 50 -0.410 -0.479 -0.788 379 HD13 ILE 50 2HD1 ILE 50 -2.117 -0.041 -0.841 380 H ARG 51 H ARG 51 -1.878 -1.926 4.307 381 HA ARG 51 HA ARG 51 -4.437 -0.974 5.296 382 HB2 ARG 51 2HB ARG 51 -2.779 -3.060 6.722 383 HB3 ARG 51 1HB ARG 51 -4.083 -2.155 7.477 384 HG2 ARG 51 2HG ARG 51 -5.306 -3.150 5.251 385 HG3 ARG 51 1HG ARG 51 -4.184 -4.447 5.671 386 HD2 ARG 51 2HD ARG 51 -5.063 -4.325 8.011 387 HD3 ARG 51 1HD ARG 51 -6.286 -3.201 7.425 388 HE ARG 51 HE ARG 51 -7.395 -4.954 6.423 389 HH11 ARG 51 1HH1 ARG 51 -4.259 -6.026 7.523 390 HH12 ARG 51 2HH1 ARG 51 -4.610 -7.704 7.282 391 HH21 ARG 51 1HH2 ARG 51 -7.856 -7.161 6.105 392 HH22 ARG 51 2HH2 ARG 51 -6.651 -8.348 6.476 393 H TYR 52 H TYR 52 -4.224 0.827 6.530 394 HA TYR 52 HA TYR 52 -1.578 1.467 7.623 395 HB2 TYR 52 2HB TYR 52 -1.629 3.712 6.732 396 HB3 TYR 52 1HB TYR 52 -1.815 2.572 5.404 397 HD1 TYR 52 2HD TYR 52 -4.274 2.065 4.680 398 HD2 TYR 52 1HD TYR 52 -3.109 5.486 6.925 399 HE1 TYR 52 2HE TYR 52 -6.325 3.223 3.971 400 HE2 TYR 52 1HE TYR 52 -5.156 6.653 6.222 401 HH TYR 52 HH TYR 52 -6.783 6.386 4.076 402 H GLY 53 H GLY 53 -1.666 3.368 9.123 403 HA2 GLY 53 2HA GLY 53 -2.549 4.459 10.941 404 HA3 GLY 53 1HA GLY 53 -4.129 4.262 10.200 405 H PHE 54 H PHE 54 -3.688 4.114 12.955 406 HA PHE 54 HA PHE 54 -4.106 1.251 13.502 407 HB2 PHE 54 2HB PHE 54 -2.147 2.597 14.596 408 HB3 PHE 54 1HB PHE 54 -3.413 3.228 15.644 409 HD1 PHE 54 2HD PHE 54 -2.923 -0.179 14.228 410 HD2 PHE 54 1HD PHE 54 -3.091 2.258 17.713 411 HE1 PHE 54 2HE PHE 54 -2.752 -2.189 15.637 412 HE2 PHE 54 1HE PHE 54 -2.918 0.253 19.128 413 HZ PHE 54 HZ PHE 54 -2.750 -1.975 18.091 414 HA PRO 55 HA PRO 55 -5.397 -0.217 14.274 415 HB2 PRO 55 2HB PRO 55 -7.726 -1.175 13.235 416 HB3 PRO 55 1HB PRO 55 -7.414 -1.054 14.971 417 HG2 PRO 55 2HG PRO 55 -8.948 0.798 13.188 418 HG3 PRO 55 1HG PRO 55 -9.354 0.218 14.813 419 HD2 PRO 55 2HD PRO 55 -8.306 2.665 14.386 420 HD3 PRO 55 1HD PRO 55 -7.933 1.721 15.842 421 HA PRO 56 HA PRO 56 -4.467 -0.178 9.968 422 HB2 PRO 56 2HB PRO 56 -4.768 -2.778 9.226 423 HB3 PRO 56 1HB PRO 56 -3.414 -2.203 10.205 424 HG2 PRO 56 2HG PRO 56 -5.933 -3.570 11.067 425 HG3 PRO 56 1HG PRO 56 -4.268 -3.833 11.622 426 HD2 PRO 56 2HD PRO 56 -6.056 -2.371 13.029 427 HD3 PRO 56 1HD PRO 56 -4.320 -2.012 13.037 428 H LYS 57 H LYS 57 -5.618 0.611 8.368 429 HA LYS 57 HA LYS 57 -8.428 -0.070 8.080 430 HB2 LYS 57 2HB LYS 57 -6.674 1.991 6.742 431 HB3 LYS 57 1HB LYS 57 -8.361 1.740 6.317 432 HG2 LYS 57 2HG LYS 57 -8.652 2.062 8.945 433 HG3 LYS 57 1HG LYS 57 -7.172 2.995 8.716 434 HD2 LYS 57 2HD LYS 57 -8.482 4.695 8.105 435 HD3 LYS 57 1HD LYS 57 -8.799 3.798 6.620 436 HE2 LYS 57 2HE LYS 57 -10.541 2.635 8.375 437 HE3 LYS 57 1HE LYS 57 -10.534 4.310 8.922 438 HZ1 LYS 57 3HZ LYS 57 -10.802 3.785 6.052 439 HZ2 LYS 57 1HZ LYS 57 -11.443 5.046 6.982 440 HZ3 LYS 57 2HZ LYS 57 -12.145 3.508 7.041 441 H GLU 58 H GLU 58 -9.162 -0.102 5.646 442 HA GLU 58 HA GLU 58 -7.474 -2.085 4.274 443 HB2 GLU 58 2HB GLU 58 -9.780 -2.778 5.186 444 HB3 GLU 58 1HB GLU 58 -10.443 -1.813 3.874 445 HG2 GLU 58 2HG GLU 58 -9.222 -3.190 2.258 446 HG3 GLU 58 1HG GLU 58 -8.595 -4.171 3.582 447 H LEU 59 H LEU 59 -6.418 -0.118 3.391 448 HA LEU 59 HA LEU 59 -7.470 1.840 1.833 449 HB2 LEU 59 2HB LEU 59 -5.023 1.332 2.410 450 HB3 LEU 59 1HB LEU 59 -5.016 0.327 0.975 451 HG LEU 59 HG LEU 59 -5.346 2.199 -0.457 452 HD11 LEU 59 1HD1 LEU 59 -5.581 4.509 0.522 453 HD12 LEU 59 2HD1 LEU 59 -5.935 3.730 2.065 454 HD13 LEU 59 3HD1 LEU 59 -6.993 3.464 0.679 455 HD21 LEU 59 3HD2 LEU 59 -3.109 2.247 -0.104 456 HD22 LEU 59 1HD2 LEU 59 -3.274 2.412 1.644 457 HD23 LEU 59 2HD2 LEU 59 -3.507 3.814 0.600 458 H MET 60 H MET 60 -9.323 1.091 0.781 459 HA MET 60 HA MET 60 -9.265 -1.008 -1.147 460 HB2 MET 60 2HB MET 60 -11.530 -0.256 -1.720 461 HB3 MET 60 1HB MET 60 -11.325 -0.405 0.020 462 HG2 MET 60 2HG MET 60 -10.849 2.090 0.016 463 HG3 MET 60 1HG MET 60 -11.468 2.090 -1.633 464 HE1 MET 60 3HE MET 60 -14.380 3.713 0.364 465 HE2 MET 60 1HE MET 60 -12.904 3.996 -0.558 466 HE3 MET 60 2HE MET 60 -12.815 3.698 1.177 467 HA PRO 61 HA PRO 61 -7.845 1.094 -4.743 468 HB2 PRO 61 2HB PRO 61 -9.356 -0.030 -6.702 469 HB3 PRO 61 1HB PRO 61 -8.042 -0.886 -5.888 470 HG2 PRO 61 2HG PRO 61 -10.990 -1.042 -5.407 471 HG3 PRO 61 1HG PRO 61 -9.792 -2.349 -5.455 472 HD2 PRO 61 2HD PRO 61 -10.743 -1.313 -3.137 473 HD3 PRO 61 1HD PRO 61 -9.099 -1.961 -3.294 474 HA PRO 62 HA PRO 62 -10.613 4.531 -5.296 475 HB2 PRO 62 2HB PRO 62 -9.248 5.805 -7.265 476 HB3 PRO 62 1HB PRO 62 -8.740 5.828 -5.575 477 HG2 PRO 62 2HG PRO 62 -7.742 4.137 -7.834 478 HG3 PRO 62 1HG PRO 62 -6.821 4.968 -6.566 479 HD2 PRO 62 2HD PRO 62 -7.366 2.320 -6.467 480 HD3 PRO 62 1HD PRO 62 -7.240 3.323 -5.007 481 H GLN 63 H GLN 63 -11.309 5.830 -7.468 482 HA GLN 63 HA GLN 63 -12.064 3.893 -9.529 483 HB2 GLN 63 2HB GLN 63 -13.835 4.666 -7.550 484 HB3 GLN 63 1HB GLN 63 -14.235 5.740 -8.883 485 HG2 GLN 63 2HG GLN 63 -15.602 4.010 -9.390 486 HG3 GLN 63 1HG GLN 63 -14.157 3.484 -10.254 487 HE21 GLN 63 1HE2 GLN 63 -13.775 1.412 -10.007 488 HE22 GLN 63 2HE2 GLN 63 -14.067 0.478 -8.583 489 H ALA 64 H ALA 64 -13.736 5.534 -11.010 490 HA ALA 64 HA ALA 64 -11.943 7.020 -12.534 491 HB1 ALA 64 1HB ALA 64 -14.160 8.138 -13.366 492 HB2 ALA 64 2HB ALA 64 -14.917 6.884 -12.383 493 HB3 ALA 64 3HB ALA 64 -13.835 6.438 -13.701 494 H GLY 65 H GLY 65 -10.745 8.487 -11.358 495 HA2 GLY 65 2HA GLY 65 -10.971 11.023 -11.212 496 HA3 GLY 65 1HA GLY 65 -12.243 10.668 -10.053 497 H MET 66 H MET 66 -10.727 8.354 -8.980 498 HA MET 66 HA MET 66 -8.841 9.899 -7.338 499 HB2 MET 66 2HB MET 66 -10.628 7.572 -6.775 500 HB3 MET 66 1HB MET 66 -9.150 7.750 -5.839 501 HG2 MET 66 2HG MET 66 -9.945 10.135 -5.382 502 HG3 MET 66 1HG MET 66 -11.512 9.584 -5.975 503 HE1 MET 66 3HE MET 66 -12.513 9.893 -2.637 504 HE2 MET 66 1HE MET 66 -11.522 10.895 -3.699 505 HE3 MET 66 2HE MET 66 -10.846 10.265 -2.196 506 H GLU 67 H GLU 67 -9.156 7.153 -9.439 507 HA GLU 67 HA GLU 67 -6.903 5.674 -8.768 508 HB2 GLU 67 2HB GLU 67 -6.942 4.875 -11.110 509 HB3 GLU 67 1HB GLU 67 -8.529 4.843 -10.354 510 HG2 GLU 67 2HG GLU 67 -9.007 7.029 -11.471 511 HG3 GLU 67 1HG GLU 67 -7.495 6.832 -12.356 512 H LYS 68 H LYS 68 -7.174 8.691 -10.488 513 HA LYS 68 HA LYS 68 -4.473 8.635 -11.485 514 HB2 LYS 68 2HB LYS 68 -4.971 11.051 -12.058 515 HB3 LYS 68 1HB LYS 68 -6.016 9.853 -12.810 516 HG2 LYS 68 2HG LYS 68 -7.806 10.361 -11.353 517 HG3 LYS 68 1HG LYS 68 -6.765 11.318 -10.297 518 HD2 LYS 68 2HD LYS 68 -6.367 12.739 -12.449 519 HD3 LYS 68 1HD LYS 68 -7.870 11.990 -12.992 520 HE2 LYS 68 2HE LYS 68 -8.860 13.700 -11.930 521 HE3 LYS 68 1HE LYS 68 -8.532 12.767 -10.471 522 HZ1 LYS 68 3HZ LYS 68 -7.678 14.842 -9.981 523 HZ2 LYS 68 1HZ LYS 68 -7.076 15.096 -11.542 524 HZ3 LYS 68 2HZ LYS 68 -6.300 14.011 -10.502 525 H GLU 69 H GLU 69 -6.072 9.661 -8.597 526 HA GLU 69 HA GLU 69 -3.996 11.460 -7.747 527 HB2 GLU 69 2HB GLU 69 -6.636 10.755 -6.881 528 HB3 GLU 69 1HB GLU 69 -5.532 10.614 -5.520 529 HG2 GLU 69 2HG GLU 69 -4.928 13.024 -6.880 530 HG3 GLU 69 1HG GLU 69 -6.674 12.949 -6.653 531 HA PRO 70 HA PRO 70 -1.250 8.500 -5.973 532 HB2 PRO 70 2HB PRO 70 -0.090 9.987 -4.026 533 HB3 PRO 70 1HB PRO 70 0.255 10.222 -5.743 534 HG2 PRO 70 2HG PRO 70 -1.587 11.761 -3.955 535 HG3 PRO 70 1HG PRO 70 -0.447 12.365 -5.172 536 HD2 PRO 70 2HD PRO 70 -3.105 12.139 -5.644 537 HD3 PRO 70 1HD PRO 70 -1.887 11.929 -6.918 538 H VAL 71 H VAL 71 -0.616 7.518 -3.859 539 HA VAL 71 HA VAL 71 -2.932 6.712 -2.430 540 HB VAL 71 HB VAL 71 -1.214 5.586 -0.899 541 HG11 VAL 71 1HG1 VAL 71 -0.530 4.503 -3.488 542 HG12 VAL 71 2HG1 VAL 71 -2.244 4.908 -3.392 543 HG13 VAL 71 3HG1 VAL 71 -1.528 3.816 -2.208 544 HG21 VAL 71 3HG2 VAL 71 0.572 7.289 -1.755 545 HG22 VAL 71 1HG2 VAL 71 0.765 6.123 -3.065 546 HG23 VAL 71 2HG2 VAL 71 1.032 5.624 -1.394 547 HA PRO 72 HA PRO 72 -3.048 9.527 0.975 548 HB2 PRO 72 2HB PRO 72 -3.796 7.965 3.034 549 HB3 PRO 72 1HB PRO 72 -4.879 8.299 1.678 550 HG2 PRO 72 2HG PRO 72 -3.142 5.900 2.155 551 HG3 PRO 72 1HG PRO 72 -4.848 5.956 1.676 552 HD2 PRO 72 2HD PRO 72 -2.874 5.568 -0.116 553 HD3 PRO 72 1HD PRO 72 -4.347 6.470 -0.522 554 H LEU 73 H LEU 73 -0.647 7.214 0.790 555 HA LEU 73 HA LEU 73 0.533 7.878 3.379 556 HB2 LEU 73 2HB LEU 73 1.834 5.986 1.489 557 HB3 LEU 73 1HB LEU 73 1.739 5.933 3.240 558 HG LEU 73 HG LEU 73 -0.633 5.391 1.458 559 HD11 LEU 73 1HD1 LEU 73 -0.137 2.973 2.191 560 HD12 LEU 73 2HD1 LEU 73 1.509 3.557 2.440 561 HD13 LEU 73 3HD1 LEU 73 0.767 3.661 0.843 562 HD21 LEU 73 3HD2 LEU 73 -0.224 4.441 4.265 563 HD22 LEU 73 1HD2 LEU 73 -1.725 4.651 3.363 564 HD23 LEU 73 2HD2 LEU 73 -0.839 6.061 3.941 565 H GLN 74 H GLN 74 2.771 8.514 3.518 566 HA GLN 74 HA GLN 74 3.907 9.681 1.085 567 HB2 GLN 74 2HB GLN 74 3.364 11.167 3.653 568 HB3 GLN 74 1HB GLN 74 4.473 11.749 2.421 569 HG2 GLN 74 2HG GLN 74 1.559 11.168 1.950 570 HG3 GLN 74 1HG GLN 74 2.218 12.763 2.313 571 HE21 GLN 74 1HE2 GLN 74 0.958 11.233 -0.100 572 HE22 GLN 74 2HE2 GLN 74 1.939 11.758 -1.423 573 H HIS 75 H HIS 75 6.118 10.780 1.807 574 HA HIS 75 HA HIS 75 7.875 8.723 2.439 575 HB2 HIS 75 2HB HIS 75 8.336 10.982 1.300 576 HB3 HIS 75 1HB HIS 75 8.510 11.627 2.929 577 HD1 HIS 75 1HD HIS 75 10.065 9.172 4.132 578 HD2 HIS 75 2HD HIS 75 10.975 11.096 0.562 579 HE1 HIS 75 1HE HIS 75 12.497 8.694 3.712 580 HE2 HIS 75 2HE HIS 75 13.005 9.801 1.507 581 H GLY 76 H GLY 76 7.886 7.640 4.306 582 HA2 GLY 76 2HA GLY 76 8.787 7.671 6.566 583 HA3 GLY 76 1HA GLY 76 7.994 9.221 6.796 584 H ASP 77 H ASP 77 5.962 7.165 5.089 585 HA ASP 77 HA ASP 77 4.331 6.772 7.463 586 HB2 ASP 77 2HB ASP 77 3.870 6.914 4.573 587 HB3 ASP 77 1HB ASP 77 2.941 5.645 5.365 588 H ARG 78 H ARG 78 2.942 4.534 7.027 589 HA ARG 78 HA ARG 78 4.736 2.313 6.498 590 HB2 ARG 78 2HB ARG 78 4.181 1.264 8.721 591 HB3 ARG 78 1HB ARG 78 5.263 2.647 8.802 592 HG2 ARG 78 2HG ARG 78 2.480 3.422 9.050 593 HG3 ARG 78 1HG ARG 78 2.969 2.261 10.286 594 HD2 ARG 78 2HD ARG 78 4.478 4.789 9.636 595 HD3 ARG 78 1HD ARG 78 3.291 4.649 10.932 596 HE ARG 78 HE ARG 78 5.393 2.691 11.065 597 HH11 ARG 78 1HH1 ARG 78 4.431 5.926 11.954 598 HH12 ARG 78 2HH1 ARG 78 5.525 6.017 13.294 599 HH21 ARG 78 1HH2 ARG 78 6.831 2.810 12.827 600 HH22 ARG 78 2HH2 ARG 78 6.887 4.248 13.790 601 H ILE 79 H ILE 79 3.658 0.336 6.160 602 HA ILE 79 HA ILE 79 0.748 0.355 6.320 603 HB ILE 79 HB ILE 79 0.819 -0.629 3.886 604 HG12 ILE 79 2HG1 ILE 79 3.173 1.270 3.867 605 HG13 ILE 79 1HG1 ILE 79 3.277 -0.476 3.677 606 HG21 ILE 79 1HG2 ILE 79 1.073 2.318 3.907 607 HG22 ILE 79 2HG2 ILE 79 -0.145 1.600 4.959 608 HG23 ILE 79 3HG2 ILE 79 -0.188 1.293 3.223 609 HD11 ILE 79 3HD1 ILE 79 1.883 1.426 1.809 610 HD12 ILE 79 1HD1 ILE 79 1.971 -0.326 1.619 611 HD13 ILE 79 2HD1 ILE 79 3.442 0.646 1.538 612 H THR 80 H THR 80 -0.199 -1.750 5.745 613 HA THR 80 HA THR 80 1.661 -3.990 6.137 614 HB THR 80 HB THR 80 -1.029 -3.669 7.476 615 HG1 THR 80 1HG THR 80 0.191 -3.497 9.366 616 HG21 THR 80 3HG2 THR 80 -0.921 -5.761 8.262 617 HG22 THR 80 1HG2 THR 80 0.835 -5.728 8.417 618 HG23 THR 80 2HG2 THR 80 0.094 -6.035 6.846 619 H ILE 81 H ILE 81 1.418 -5.568 4.700 620 HA ILE 81 HA ILE 81 -0.892 -5.458 2.903 621 HB ILE 81 HB ILE 81 1.627 -7.064 2.519 622 HG12 ILE 81 2HG1 ILE 81 2.268 -4.735 2.691 623 HG13 ILE 81 1HG1 ILE 81 2.347 -5.228 1.003 624 HG21 ILE 81 1HG2 ILE 81 0.147 -7.944 1.022 625 HG22 ILE 81 2HG2 ILE 81 0.783 -6.610 0.061 626 HG23 ILE 81 3HG2 ILE 81 -0.770 -6.445 0.878 627 HD11 ILE 81 3HD1 ILE 81 0.236 -3.554 2.329 628 HD12 ILE 81 1HD1 ILE 81 0.089 -4.202 0.696 629 HD13 ILE 81 2HD1 ILE 81 1.382 -3.066 1.081 630 H GLU 82 H GLU 82 -1.960 -7.397 2.256 631 HA GLU 82 HA GLU 82 -1.599 -9.693 4.043 632 HB2 GLU 82 2HB GLU 82 -3.431 -8.832 5.133 633 HB3 GLU 82 1HB GLU 82 -4.054 -8.042 3.695 634 HG2 GLU 82 2HG GLU 82 -4.839 -10.172 2.835 635 HG3 GLU 82 1HG GLU 82 -4.150 -11.005 4.227 636 H ILE 83 H ILE 83 -1.207 -11.409 2.830 637 HA ILE 83 HA ILE 83 -1.627 -11.484 0.043 638 HB ILE 83 HB ILE 83 -1.105 -13.783 1.933 639 HG12 ILE 83 2HG1 ILE 83 1.193 -13.263 0.463 640 HG13 ILE 83 1HG1 ILE 83 0.577 -11.657 0.840 641 HG21 ILE 83 1HG2 ILE 83 -1.904 -14.770 -0.024 642 HG22 ILE 83 2HG2 ILE 83 -0.153 -14.789 -0.233 643 HG23 ILE 83 3HG2 ILE 83 -1.128 -13.572 -1.058 644 HD11 ILE 83 3HD1 ILE 83 0.371 -12.979 3.239 645 HD12 ILE 83 1HD1 ILE 83 1.661 -11.873 2.766 646 HD13 ILE 83 2HD1 ILE 83 1.867 -13.611 2.552 647 H LEU 84 H LEU 84 -3.591 -11.473 -0.829 648 HA LEU 84 HA LEU 84 -5.877 -12.610 0.460 649 HB2 LEU 84 2HB LEU 84 -5.646 -11.730 -2.413 650 HB3 LEU 84 1HB LEU 84 -7.114 -11.894 -1.469 651 HG LEU 84 HG LEU 84 -4.942 -9.858 -0.963 652 HD11 LEU 84 1HD1 LEU 84 -5.923 -8.994 -2.828 653 HD12 LEU 84 2HD1 LEU 84 -7.032 -8.374 -1.605 654 HD13 LEU 84 3HD1 LEU 84 -7.459 -9.810 -2.536 655 HD21 LEU 84 3HD2 LEU 84 -7.578 -9.445 0.218 656 HD22 LEU 84 1HD2 LEU 84 -5.975 -9.292 0.937 657 HD23 LEU 84 2HD2 LEU 84 -6.749 -10.873 0.836 658 H LYS 85 H LYS 85 -7.342 -14.111 -0.875 659 HA LYS 85 HA LYS 85 -5.738 -16.433 -1.616 660 HB2 LYS 85 2HB LYS 85 -7.717 -16.432 0.072 661 HB3 LYS 85 1HB LYS 85 -8.730 -16.433 -1.364 662 HG2 LYS 85 2HG LYS 85 -8.534 -18.679 -0.771 663 HG3 LYS 85 1HG LYS 85 -7.397 -18.472 -2.104 664 HD2 LYS 85 2HD LYS 85 -6.255 -17.977 0.551 665 HD3 LYS 85 1HD LYS 85 -6.805 -19.633 0.293 666 HE2 LYS 85 2HE LYS 85 -5.263 -20.037 -1.343 667 HE3 LYS 85 1HE LYS 85 -5.205 -18.350 -1.854 668 HZ1 LYS 85 3HZ LYS 85 -3.274 -19.517 -0.464 669 HZ2 LYS 85 1HZ LYS 85 -4.203 -18.914 0.816 670 HZ3 LYS 85 2HZ LYS 85 -3.605 -17.862 -0.366 671 H GLY 86 H GLY 86 -5.117 -16.141 -3.695 672 HA2 GLY 86 2HA GLY 86 -6.670 -15.015 -5.748 673 HA3 GLY 86 1HA GLY 86 -5.272 -16.053 -5.983 Start of MODEL 4 1 H1 LYS 6 H LYS 6 13.258 11.226 -7.036 2 HA LYS 6 HA LYS 6 13.136 12.994 -4.711 3 HB2 LYS 6 2HB LYS 6 11.902 14.520 -6.252 4 HB3 LYS 6 1HB LYS 6 13.529 14.129 -6.791 5 HG2 LYS 6 2HG LYS 6 11.472 12.328 -7.826 6 HG3 LYS 6 1HG LYS 6 11.284 14.009 -8.330 7 HD2 LYS 6 2HD LYS 6 13.090 13.931 -9.663 8 HD3 LYS 6 1HD LYS 6 14.037 13.021 -8.484 9 HE2 LYS 6 2HE LYS 6 13.038 10.961 -9.170 10 HE3 LYS 6 1HE LYS 6 11.869 11.804 -10.185 11 HZ1 LYS 6 3HZ LYS 6 13.357 12.066 -11.830 12 HZ2 LYS 6 1HZ LYS 6 14.138 10.754 -11.100 13 HZ3 LYS 6 2HZ LYS 6 14.659 12.332 -10.783 14 H GLU 7 H GLU 7 11.959 10.684 -4.084 15 HA GLU 7 HA GLU 7 9.108 11.381 -4.080 16 HB2 GLU 7 2HB GLU 7 8.709 8.826 -4.107 17 HB3 GLU 7 1HB GLU 7 9.055 9.642 -5.622 18 HG2 GLU 7 2HG GLU 7 11.550 8.944 -4.848 19 HG3 GLU 7 1HG GLU 7 10.603 7.630 -4.156 20 H LYS 8 H LYS 8 8.056 9.548 -2.440 21 HA LYS 8 HA LYS 8 9.470 10.066 0.063 22 HB2 LYS 8 2HB LYS 8 7.384 9.750 1.172 23 HB3 LYS 8 1HB LYS 8 7.080 10.775 -0.219 24 HG2 LYS 8 2HG LYS 8 6.711 8.053 -0.980 25 HG3 LYS 8 1HG LYS 8 5.804 8.368 0.498 26 HD2 LYS 8 2HD LYS 8 5.038 10.519 -0.759 27 HD3 LYS 8 1HD LYS 8 5.529 9.626 -2.200 28 HE2 LYS 8 2HE LYS 8 4.066 7.746 -1.411 29 HE3 LYS 8 1HE LYS 8 3.465 8.829 -0.157 30 HZ1 LYS 8 3HZ LYS 8 2.894 10.382 -2.059 31 HZ2 LYS 8 1HZ LYS 8 1.937 8.996 -1.895 32 HZ3 LYS 8 2HZ LYS 8 3.136 9.060 -3.086 33 H LYS 9 H LYS 9 9.607 8.432 1.685 34 HA LYS 9 HA LYS 9 9.799 5.716 0.562 35 HB2 LYS 9 2HB LYS 9 11.981 6.558 1.183 36 HB3 LYS 9 1HB LYS 9 11.393 7.024 2.773 37 HG2 LYS 9 2HG LYS 9 10.997 4.196 2.160 38 HG3 LYS 9 1HG LYS 9 12.689 4.696 2.175 39 HD2 LYS 9 2HD LYS 9 11.605 5.928 4.410 40 HD3 LYS 9 1HD LYS 9 10.834 4.340 4.381 41 HE2 LYS 9 2HE LYS 9 13.346 3.591 3.880 42 HE3 LYS 9 1HE LYS 9 13.678 5.073 4.778 43 HZ1 LYS 9 3HZ LYS 9 12.680 4.246 6.674 44 HZ2 LYS 9 1HZ LYS 9 13.455 2.874 6.056 45 HZ3 LYS 9 2HZ LYS 9 11.789 3.074 5.841 46 H ILE 10 H ILE 10 8.747 4.075 1.568 47 HA ILE 10 HA ILE 10 7.536 4.593 4.186 48 HB ILE 10 HB ILE 10 5.750 3.105 2.411 49 HG12 ILE 10 2HG1 ILE 10 6.541 5.937 1.748 50 HG13 ILE 10 1HG1 ILE 10 6.380 4.564 0.662 51 HG21 ILE 10 1HG2 ILE 10 4.094 4.628 3.440 52 HG22 ILE 10 2HG2 ILE 10 5.415 5.486 4.231 53 HG23 ILE 10 3HG2 ILE 10 5.098 3.797 4.626 54 HD11 ILE 10 3HD1 ILE 10 3.897 4.646 1.191 55 HD12 ILE 10 1HD1 ILE 10 4.557 5.947 0.199 56 HD13 ILE 10 2HD1 ILE 10 4.220 6.224 1.908 57 H ARG 11 H ARG 11 6.664 2.603 5.203 58 HA ARG 11 HA ARG 11 8.419 0.334 4.578 59 HB2 ARG 11 2HB ARG 11 8.598 1.248 6.846 60 HB3 ARG 11 1HB ARG 11 6.879 0.983 7.100 61 HG2 ARG 11 2HG ARG 11 7.260 -1.448 6.806 62 HG3 ARG 11 1HG ARG 11 8.991 -1.124 6.698 63 HD2 ARG 11 2HD ARG 11 7.167 -0.641 9.046 64 HD3 ARG 11 1HD ARG 11 8.506 -1.782 8.941 65 HE ARG 11 HE ARG 11 9.657 0.650 8.497 66 HH11 ARG 11 1HH1 ARG 11 7.683 -0.699 11.040 67 HH12 ARG 11 2HH1 ARG 11 8.384 0.289 12.278 68 HH21 ARG 11 1HH2 ARG 11 10.579 1.949 10.124 69 HH22 ARG 11 2HH2 ARG 11 10.028 1.792 11.758 70 H ILE 12 H ILE 12 7.562 -1.844 4.747 71 HA ILE 12 HA ILE 12 4.657 -2.059 4.410 72 HB ILE 12 HB ILE 12 6.619 -3.445 2.582 73 HG12 ILE 12 2HG1 ILE 12 4.652 -1.397 1.632 74 HG13 ILE 12 1HG1 ILE 12 6.170 -0.854 2.340 75 HG21 ILE 12 1HG2 ILE 12 4.757 -4.827 2.788 76 HG22 ILE 12 2HG2 ILE 12 4.422 -3.890 1.332 77 HG23 ILE 12 3HG2 ILE 12 3.636 -3.466 2.853 78 HD11 ILE 12 3HD1 ILE 12 6.279 -0.995 -0.098 79 HD12 ILE 12 1HD1 ILE 12 5.918 -2.719 -0.009 80 HD13 ILE 12 2HD1 ILE 12 7.418 -2.095 0.676 81 H THR 13 H THR 13 3.772 -4.052 4.986 82 HA THR 13 HA THR 13 5.525 -6.171 5.893 83 HB THR 13 HB THR 13 3.517 -5.270 7.899 84 HG1 THR 13 1HG THR 13 6.099 -4.134 7.597 85 HG21 THR 13 3HG2 THR 13 5.853 -5.926 9.161 86 HG22 THR 13 1HG2 THR 13 5.811 -7.031 7.787 87 HG23 THR 13 2HG2 THR 13 4.463 -6.987 8.922 88 H THR 14 H THR 14 4.677 -8.011 5.176 89 HA THR 14 HA THR 14 1.812 -8.097 4.622 90 HB THR 14 HB THR 14 2.202 -9.668 3.018 91 HG1 THR 14 1HG THR 14 4.141 -10.614 4.774 92 HG21 THR 14 3HG2 THR 14 4.879 -8.338 3.277 93 HG22 THR 14 1HG2 THR 14 3.529 -7.858 2.252 94 HG23 THR 14 2HG2 THR 14 4.405 -9.352 1.916 95 H ASN 15 H ASN 15 0.447 -9.604 5.395 96 HA ASN 15 HA ASN 15 0.667 -10.421 8.023 97 HB2 ASN 15 2HB ASN 15 -1.229 -12.021 7.435 98 HB3 ASN 15 1HB ASN 15 -1.500 -10.316 7.090 99 HD21 ASN 15 1HD2 ASN 15 -3.012 -12.237 5.877 100 HD22 ASN 15 2HD2 ASN 15 -2.623 -12.312 4.195 101 H ASP 16 H ASP 16 1.900 -11.978 5.171 102 HA ASP 16 HA ASP 16 2.077 -14.612 6.120 103 HB2 ASP 16 2HB ASP 16 2.840 -13.283 3.809 104 HB3 ASP 16 1HB ASP 16 4.369 -13.819 4.498 105 H GLY 17 H GLY 17 3.780 -11.770 6.999 106 HA2 GLY 17 2HA GLY 17 4.944 -11.804 9.132 107 HA3 GLY 17 1HA GLY 17 5.558 -13.393 8.702 108 H ARG 18 H ARG 18 5.419 -10.816 6.356 109 HA ARG 18 HA ARG 18 8.348 -10.507 6.604 110 HB2 ARG 18 2HB ARG 18 8.341 -10.256 4.083 111 HB3 ARG 18 1HB ARG 18 8.036 -11.874 4.699 112 HG2 ARG 18 2HG ARG 18 5.652 -11.554 4.359 113 HG3 ARG 18 1HG ARG 18 5.958 -9.935 3.722 114 HD2 ARG 18 2HD ARG 18 5.928 -11.042 1.750 115 HD3 ARG 18 1HD ARG 18 7.614 -11.348 2.169 116 HE ARG 18 HE ARG 18 7.072 -13.549 2.693 117 HH11 ARG 18 1HH1 ARG 18 4.195 -11.740 1.909 118 HH12 ARG 18 2HH1 ARG 18 3.254 -13.152 1.572 119 HH21 ARG 18 1HH2 ARG 18 5.832 -15.407 2.255 120 HH22 ARG 18 2HH2 ARG 18 4.180 -15.234 1.767 121 H GLN 19 H GLN 19 9.222 -8.509 5.780 122 HA GLN 19 HA GLN 19 7.346 -6.338 5.305 123 HB2 GLN 19 2HB GLN 19 8.827 -4.982 7.029 124 HB3 GLN 19 1HB GLN 19 7.409 -5.876 7.545 125 HG2 GLN 19 2HG GLN 19 8.739 -6.794 9.066 126 HG3 GLN 19 1HG GLN 19 9.398 -7.752 7.743 127 HE21 GLN 19 1HE2 GLN 19 10.349 -6.177 10.310 128 HE22 GLN 19 2HE2 GLN 19 11.848 -5.506 9.776 129 H SER 20 H SER 20 8.281 -4.483 4.369 130 HA SER 20 HA SER 20 11.081 -4.318 3.828 131 HB2 SER 20 2HB SER 20 9.208 -5.237 1.646 132 HB3 SER 20 1HB SER 20 10.749 -4.454 1.296 133 HG SER 20 HG SER 20 11.639 -6.318 1.606 134 H MET 21 H MET 21 11.671 -2.335 2.896 135 HA MET 21 HA MET 21 9.557 -0.321 3.004 136 HB2 MET 21 2HB MET 21 11.226 1.293 3.393 137 HB3 MET 21 1HB MET 21 11.733 -0.109 4.322 138 HG2 MET 21 2HG MET 21 12.790 0.317 1.560 139 HG3 MET 21 1HG MET 21 13.460 1.214 2.918 140 HE1 MET 21 3HE MET 21 13.155 -1.601 0.872 141 HE2 MET 21 1HE MET 21 13.278 -3.049 1.871 142 HE3 MET 21 2HE MET 21 14.729 -2.344 1.158 143 H VAL 22 H VAL 22 9.691 1.492 1.440 144 HA VAL 22 HA VAL 22 10.758 0.771 -1.171 145 HB VAL 22 HB VAL 22 8.502 1.362 -2.202 146 HG11 VAL 22 1HG1 VAL 22 8.631 -1.210 -0.644 147 HG12 VAL 22 2HG1 VAL 22 9.515 -0.906 -2.140 148 HG13 VAL 22 3HG1 VAL 22 7.752 -0.915 -2.144 149 HG21 VAL 22 3HG2 VAL 22 7.447 2.268 -0.210 150 HG22 VAL 22 1HG2 VAL 22 7.570 0.697 0.582 151 HG23 VAL 22 2HG2 VAL 22 6.532 0.893 -0.830 152 H THR 23 H THR 23 10.204 2.561 -2.794 153 HA THR 23 HA THR 23 10.496 5.161 -1.438 154 HB THR 23 HB THR 23 12.458 4.290 -2.776 155 HG1 THR 23 1HG THR 23 12.932 6.288 -3.445 156 HG21 THR 23 3HG2 THR 23 12.301 3.698 -4.896 157 HG22 THR 23 1HG2 THR 23 11.472 5.197 -5.314 158 HG23 THR 23 2HG2 THR 23 10.548 3.809 -4.736 159 H LEU 24 H LEU 24 7.963 4.266 -1.773 160 HA LEU 24 HA LEU 24 6.488 4.573 -3.990 161 HB2 LEU 24 2HB LEU 24 5.935 4.513 -1.322 162 HB3 LEU 24 1HB LEU 24 5.380 6.121 -1.749 163 HG LEU 24 HG LEU 24 3.939 5.127 -3.505 164 HD11 LEU 24 1HD1 LEU 24 5.138 3.108 -3.988 165 HD12 LEU 24 2HD1 LEU 24 3.533 2.679 -3.396 166 HD13 LEU 24 3HD1 LEU 24 4.933 2.536 -2.332 167 HD21 LEU 24 3HD2 LEU 24 3.464 3.946 -0.773 168 HD22 LEU 24 1HD2 LEU 24 2.253 4.293 -2.008 169 HD23 LEU 24 2HD2 LEU 24 3.112 5.616 -1.219 170 H LYS 25 H LYS 25 5.941 6.083 -5.430 171 HA LYS 25 HA LYS 25 7.282 8.596 -5.438 172 HB2 LYS 25 2HB LYS 25 5.894 6.973 -7.312 173 HB3 LYS 25 1HB LYS 25 5.145 8.564 -7.335 174 HG2 LYS 25 2HG LYS 25 7.779 9.221 -7.369 175 HG3 LYS 25 1HG LYS 25 7.783 7.705 -8.273 176 HD2 LYS 25 2HD LYS 25 7.488 9.598 -9.774 177 HD3 LYS 25 1HD LYS 25 6.037 8.594 -9.750 178 HE2 LYS 25 2HE LYS 25 4.827 10.153 -8.522 179 HE3 LYS 25 1HE LYS 25 6.280 10.957 -7.930 180 HZ1 LYS 25 3HZ LYS 25 6.663 11.873 -10.097 181 HZ2 LYS 25 1HZ LYS 25 5.079 12.243 -9.631 182 HZ3 LYS 25 2HZ LYS 25 5.365 11.011 -10.754 183 H SER 26 H SER 26 6.268 10.695 -5.571 184 HA SER 26 HA SER 26 4.501 11.215 -3.466 185 HB2 SER 26 2HB SER 26 6.134 12.759 -4.956 186 HB3 SER 26 1HB SER 26 4.585 13.182 -5.686 187 HG SER 26 HG SER 26 5.605 14.045 -3.398 188 H SER 27 H SER 27 3.928 11.023 -6.961 189 HA SER 27 HA SER 27 1.047 11.260 -6.500 190 HB2 SER 27 2HB SER 27 2.394 11.050 -9.190 191 HB3 SER 27 1HB SER 27 0.817 11.738 -8.806 192 HG SER 27 HG SER 27 1.954 13.527 -8.858 193 H THR 28 H THR 28 2.288 8.912 -5.578 194 HA THR 28 HA THR 28 1.780 6.834 -7.535 195 HB THR 28 HB THR 28 2.817 6.840 -4.707 196 HG1 THR 28 1HG THR 28 3.950 5.865 -7.111 197 HG21 THR 28 3HG2 THR 28 2.049 4.776 -4.404 198 HG22 THR 28 1HG2 THR 28 3.248 4.289 -5.602 199 HG23 THR 28 2HG2 THR 28 1.584 4.602 -6.096 200 H THR 29 H THR 29 -0.275 6.315 -7.910 201 HA THR 29 HA THR 29 -2.304 6.585 -5.874 202 HB THR 29 HB THR 29 -2.981 7.152 -8.087 203 HG1 THR 29 1HG THR 29 -4.064 4.568 -7.778 204 HG21 THR 29 3HG2 THR 29 -1.364 4.930 -8.889 205 HG22 THR 29 1HG2 THR 29 -2.034 6.242 -9.859 206 HG23 THR 29 2HG2 THR 29 -2.987 4.786 -9.565 207 H PHE 30 H PHE 30 -3.914 4.652 -5.712 208 HA PHE 30 HA PHE 30 -2.791 2.626 -4.261 209 HB2 PHE 30 2HB PHE 30 -5.224 3.127 -4.389 210 HB3 PHE 30 1HB PHE 30 -5.271 2.352 -5.970 211 HD1 PHE 30 1HD PHE 30 -4.326 1.676 -2.434 212 HD2 PHE 30 2HD PHE 30 -5.758 0.102 -6.119 213 HE1 PHE 30 1HE PHE 30 -4.712 -0.499 -1.350 214 HE2 PHE 30 2HE PHE 30 -6.148 -2.076 -5.042 215 HZ PHE 30 HZ PHE 30 -5.626 -2.378 -2.654 216 H PHE 31 H PHE 31 -3.243 2.760 -7.745 217 HA PHE 31 HA PHE 31 -2.569 0.057 -8.274 218 HB2 PHE 31 2HB PHE 31 -2.507 2.531 -10.004 219 HB3 PHE 31 1HB PHE 31 -2.149 0.918 -10.613 220 HD1 PHE 31 2HD PHE 31 -3.994 -0.888 -10.057 221 HD2 PHE 31 1HD PHE 31 -4.656 3.314 -10.188 222 HE1 PHE 31 2HE PHE 31 -6.395 -1.282 -10.430 223 HE2 PHE 31 1HE PHE 31 -7.058 2.928 -10.561 224 HZ PHE 31 HZ PHE 31 -7.929 0.627 -10.683 225 H GLU 32 H GLU 32 -0.679 3.067 -8.555 226 HA GLU 32 HA GLU 32 1.745 1.908 -9.298 227 HB2 GLU 32 2HB GLU 32 0.956 4.475 -8.003 228 HB3 GLU 32 1HB GLU 32 2.657 4.033 -7.988 229 HG2 GLU 32 2HG GLU 32 1.720 3.610 -10.613 230 HG3 GLU 32 1HG GLU 32 1.113 5.180 -10.090 231 H LEU 33 H LEU 33 0.223 2.210 -6.174 232 HA LEU 33 HA LEU 33 2.557 1.516 -4.661 233 HB2 LEU 33 2HB LEU 33 0.876 2.820 -3.576 234 HB3 LEU 33 1HB LEU 33 -0.374 1.661 -3.979 235 HG LEU 33 HG LEU 33 0.453 0.084 -2.383 236 HD11 LEU 33 1HD1 LEU 33 2.457 0.310 -1.151 237 HD12 LEU 33 2HD1 LEU 33 2.712 1.957 -1.730 238 HD13 LEU 33 3HD1 LEU 33 2.875 0.595 -2.840 239 HD21 LEU 33 3HD2 LEU 33 0.063 1.240 -0.354 240 HD22 LEU 33 1HD2 LEU 33 -0.896 2.059 -1.588 241 HD23 LEU 33 2HD2 LEU 33 0.622 2.767 -1.036 242 H GLN 34 H GLN 34 -0.361 -0.200 -5.729 243 HA GLN 34 HA GLN 34 0.155 -2.662 -4.521 244 HB2 GLN 34 2HB GLN 34 -1.285 -2.001 -7.093 245 HB3 GLN 34 1HB GLN 34 -1.272 -3.605 -6.373 246 HG2 GLN 34 2HG GLN 34 -2.068 -1.472 -4.537 247 HG3 GLN 34 1HG GLN 34 -3.147 -1.690 -5.916 248 HE21 GLN 34 1HE2 GLN 34 -1.246 -3.977 -3.988 249 HE22 GLN 34 2HE2 GLN 34 -2.584 -4.969 -3.528 250 H GLU 35 H GLU 35 1.497 -1.195 -7.377 251 HA GLU 35 HA GLU 35 2.707 -3.635 -8.334 252 HB2 GLU 35 2HB GLU 35 1.990 -1.900 -9.914 253 HB3 GLU 35 1HB GLU 35 3.121 -0.764 -9.189 254 HG2 GLU 35 2HG GLU 35 4.805 -1.522 -10.417 255 HG3 GLU 35 1HG GLU 35 4.445 -3.198 -10.004 256 H SER 36 H SER 36 3.551 -1.020 -6.229 257 HA SER 36 HA SER 36 6.378 -1.315 -6.374 258 HB2 SER 36 2HB SER 36 4.556 0.429 -5.095 259 HB3 SER 36 1HB SER 36 5.533 -0.295 -3.817 260 HG SER 36 HG SER 36 6.499 1.035 -6.132 261 H ILE 37 H ILE 37 3.938 -2.427 -4.034 262 HA ILE 37 HA ILE 37 5.694 -3.812 -2.344 263 HB ILE 37 HB ILE 37 2.817 -4.535 -2.906 264 HG12 ILE 37 2HG1 ILE 37 3.371 -2.940 -0.517 265 HG13 ILE 37 1HG1 ILE 37 3.743 -2.088 -2.013 266 HG21 ILE 37 1HG2 ILE 37 2.801 -5.633 -0.833 267 HG22 ILE 37 2HG2 ILE 37 4.328 -4.900 -0.338 268 HG23 ILE 37 3HG2 ILE 37 4.308 -6.131 -1.601 269 HD11 ILE 37 3HD1 ILE 37 1.149 -3.494 -1.881 270 HD12 ILE 37 1HD1 ILE 37 1.575 -1.959 -2.635 271 HD13 ILE 37 2HD1 ILE 37 1.341 -2.047 -0.890 272 H ALA 38 H ALA 38 4.039 -4.767 -5.294 273 HA ALA 38 HA ALA 38 4.522 -7.520 -5.205 274 HB1 ALA 38 1HB ALA 38 4.617 -6.144 -7.833 275 HB2 ALA 38 2HB ALA 38 3.148 -5.984 -6.872 276 HB3 ALA 38 3HB ALA 38 3.727 -7.584 -7.338 277 H ARG 39 H ARG 39 6.689 -4.905 -5.644 278 HA ARG 39 HA ARG 39 8.708 -6.532 -6.974 279 HB2 ARG 39 2HB ARG 39 9.284 -3.793 -5.935 280 HB3 ARG 39 1HB ARG 39 9.865 -4.577 -7.395 281 HG2 ARG 39 2HG ARG 39 7.435 -4.383 -8.216 282 HG3 ARG 39 1HG ARG 39 7.246 -3.217 -6.906 283 HD2 ARG 39 2HD ARG 39 9.367 -2.121 -7.892 284 HD3 ARG 39 1HD ARG 39 8.995 -3.066 -9.333 285 HE ARG 39 HE ARG 39 6.733 -1.597 -8.414 286 HH11 ARG 39 1HH1 ARG 39 9.721 -1.299 -10.193 287 HH12 ARG 39 2HH1 ARG 39 9.176 0.054 -11.125 288 HH21 ARG 39 1HH2 ARG 39 6.015 0.184 -9.640 289 HH22 ARG 39 2HH2 ARG 39 7.072 0.897 -10.811 290 H GLU 40 H GLU 40 8.261 -4.777 -3.926 291 HA GLU 40 HA GLU 40 10.702 -5.641 -2.767 292 HB2 GLU 40 2HB GLU 40 8.354 -4.100 -1.940 293 HB3 GLU 40 1HB GLU 40 9.064 -5.040 -0.635 294 HG2 GLU 40 2HG GLU 40 9.926 -2.722 -0.816 295 HG3 GLU 40 1HG GLU 40 11.170 -3.967 -0.903 296 H PHE 41 H PHE 41 7.510 -7.017 -2.960 297 HA PHE 41 HA PHE 41 8.419 -9.260 -1.279 298 HB2 PHE 41 2HB PHE 41 5.580 -8.292 -1.665 299 HB3 PHE 41 1HB PHE 41 6.087 -9.637 -0.649 300 HD1 PHE 41 1HD PHE 41 6.194 -5.977 -1.044 301 HD2 PHE 41 2HD PHE 41 6.962 -9.282 1.522 302 HE1 PHE 41 1HE PHE 41 6.492 -4.433 0.849 303 HE2 PHE 41 2HE PHE 41 7.260 -7.747 3.420 304 HZ PHE 41 HZ PHE 41 7.024 -5.319 3.085 305 H ASN 42 H ASN 42 6.640 -11.168 -1.800 306 HA ASN 42 HA ASN 42 6.934 -11.619 -4.694 307 HB2 ASN 42 2HB ASN 42 6.809 -13.628 -2.437 308 HB3 ASN 42 1HB ASN 42 6.915 -14.036 -4.146 309 HD21 ASN 42 1HD2 ASN 42 8.569 -12.230 -1.598 310 HD22 ASN 42 2HD2 ASN 42 10.166 -12.514 -2.191 311 H ILE 43 H ILE 43 4.729 -10.174 -3.788 312 HA ILE 43 HA ILE 43 2.561 -12.087 -4.305 313 HB ILE 43 HB ILE 43 2.324 -9.658 -2.530 314 HG12 ILE 43 2HG1 ILE 43 1.821 -11.920 -1.004 315 HG13 ILE 43 1HG1 ILE 43 3.212 -12.381 -1.981 316 HG21 ILE 43 1HG2 ILE 43 0.119 -10.370 -2.063 317 HG22 ILE 43 2HG2 ILE 43 0.372 -11.921 -2.864 318 HG23 ILE 43 3HG2 ILE 43 0.294 -10.439 -3.816 319 HD11 ILE 43 3HD1 ILE 43 2.962 -10.261 0.086 320 HD12 ILE 43 1HD1 ILE 43 4.142 -10.072 -1.210 321 HD13 ILE 43 2HD1 ILE 43 4.221 -11.476 -0.143 322 HA PRO 44 HA PRO 44 1.740 -9.392 -7.729 323 HB2 PRO 44 2HB PRO 44 -0.730 -10.314 -8.373 324 HB3 PRO 44 1HB PRO 44 0.752 -11.203 -8.736 325 HG2 PRO 44 2HG PRO 44 -1.188 -11.589 -6.493 326 HG3 PRO 44 1HG PRO 44 -0.366 -12.806 -7.486 327 HD2 PRO 44 2HD PRO 44 0.455 -12.137 -4.980 328 HD3 PRO 44 1HD PRO 44 1.569 -12.691 -6.241 329 HA PRO 45 HA PRO 45 -0.725 -6.010 -6.357 330 HB2 PRO 45 2HB PRO 45 -1.939 -5.157 -8.635 331 HB3 PRO 45 1HB PRO 45 -0.222 -4.910 -8.304 332 HG2 PRO 45 2HG PRO 45 -1.546 -7.002 -9.987 333 HG3 PRO 45 1HG PRO 45 -0.085 -6.053 -10.324 334 HD2 PRO 45 2HD PRO 45 0.017 -8.606 -9.437 335 HD3 PRO 45 1HD PRO 45 1.245 -7.398 -9.003 336 H TYR 46 H TYR 46 -2.330 -8.645 -7.966 337 HA TYR 46 HA TYR 46 -4.959 -7.681 -7.141 338 HB2 TYR 46 2HB TYR 46 -5.879 -9.479 -8.456 339 HB3 TYR 46 1HB TYR 46 -4.650 -8.656 -9.409 340 HD1 TYR 46 2HD TYR 46 -2.466 -9.743 -9.814 341 HD2 TYR 46 1HD TYR 46 -5.633 -11.772 -7.826 342 HE1 TYR 46 2HE TYR 46 -1.337 -11.890 -10.219 343 HE2 TYR 46 1HE TYR 46 -4.513 -13.925 -8.225 344 HH TYR 46 HH TYR 46 -2.074 -14.684 -8.633 345 H LEU 47 H LEU 47 -2.649 -8.939 -5.423 346 HA LEU 47 HA LEU 47 -4.483 -10.545 -3.796 347 HB2 LEU 47 2HB LEU 47 -1.686 -11.364 -4.575 348 HB3 LEU 47 1HB LEU 47 -2.628 -12.143 -3.317 349 HG LEU 47 HG LEU 47 -3.450 -12.014 -6.217 350 HD11 LEU 47 1HD1 LEU 47 -2.639 -14.560 -4.965 351 HD12 LEU 47 2HD1 LEU 47 -1.347 -13.420 -5.340 352 HD13 LEU 47 3HD1 LEU 47 -2.423 -13.986 -6.618 353 HD21 LEU 47 3HD2 LEU 47 -5.166 -12.288 -4.281 354 HD22 LEU 47 1HD2 LEU 47 -4.507 -13.919 -4.173 355 HD23 LEU 47 2HD2 LEU 47 -5.243 -13.362 -5.675 356 H GLN 48 H GLN 48 -2.725 -7.862 -3.869 357 HA GLN 48 HA GLN 48 -1.683 -8.175 -1.137 358 HB2 GLN 48 2HB GLN 48 -0.939 -6.263 -3.345 359 HB3 GLN 48 1HB GLN 48 -0.396 -6.060 -1.685 360 HG2 GLN 48 2HG GLN 48 0.771 -8.163 -1.758 361 HG3 GLN 48 1HG GLN 48 0.134 -8.498 -3.366 362 HE21 GLN 48 1HE2 GLN 48 0.483 -6.135 -4.652 363 HE22 GLN 48 2HE2 GLN 48 2.165 -5.758 -4.762 364 H CYS 49 H CYS 49 -3.049 -7.475 0.350 365 HA CYS 49 HA CYS 49 -4.775 -5.175 -0.247 366 HB2 CYS 49 2HB CYS 49 -5.984 -7.132 0.517 367 HB3 CYS 49 1HB CYS 49 -4.937 -7.279 1.921 368 HG CYS 49 HG CYS 49 -7.328 -6.095 2.396 369 H ILE 50 H ILE 50 -3.745 -3.344 0.236 370 HA ILE 50 HA ILE 50 -1.783 -3.163 2.312 371 HB ILE 50 HB ILE 50 -3.068 -0.900 0.785 372 HG12 ILE 50 2HG1 ILE 50 -0.397 -1.974 0.040 373 HG13 ILE 50 1HG1 ILE 50 -1.801 -2.927 -0.429 374 HG21 ILE 50 1HG2 ILE 50 -1.864 -0.170 2.757 375 HG22 ILE 50 2HG2 ILE 50 -0.973 0.282 1.303 376 HG23 ILE 50 3HG2 ILE 50 -0.449 -1.100 2.266 377 HD11 ILE 50 3HD1 ILE 50 -2.658 -1.179 -1.756 378 HD12 ILE 50 1HD1 ILE 50 -0.940 -1.294 -2.134 379 HD13 ILE 50 2HD1 ILE 50 -1.527 -0.010 -1.076 380 H ARG 51 H ARG 51 -1.832 -1.874 4.160 381 HA ARG 51 HA ARG 51 -4.386 -0.819 5.075 382 HB2 ARG 51 2HB ARG 51 -2.832 -2.883 6.648 383 HB3 ARG 51 1HB ARG 51 -4.255 -2.021 7.215 384 HG2 ARG 51 2HG ARG 51 -5.221 -3.093 4.940 385 HG3 ARG 51 1HG ARG 51 -4.031 -4.315 5.390 386 HD2 ARG 51 2HD ARG 51 -5.070 -4.708 7.466 387 HD3 ARG 51 1HD ARG 51 -6.037 -3.238 7.350 388 HE ARG 51 HE ARG 51 -6.688 -4.932 5.208 389 HH11 ARG 51 1HH1 ARG 51 -7.037 -4.751 8.676 390 HH12 ARG 51 2HH1 ARG 51 -8.498 -5.678 8.703 391 HH21 ARG 51 1HH2 ARG 51 -8.612 -6.151 5.242 392 HH22 ARG 51 2HH2 ARG 51 -9.393 -6.474 6.754 393 H TYR 52 H TYR 52 -4.158 0.915 6.437 394 HA TYR 52 HA TYR 52 -1.475 1.497 7.471 395 HB2 TYR 52 2HB TYR 52 -1.543 3.772 6.682 396 HB3 TYR 52 1HB TYR 52 -1.816 2.702 5.311 397 HD1 TYR 52 2HD TYR 52 -4.132 2.443 4.402 398 HD2 TYR 52 1HD TYR 52 -3.171 5.369 7.336 399 HE1 TYR 52 2HE TYR 52 -6.202 3.658 3.861 400 HE2 TYR 52 1HE TYR 52 -5.237 6.591 6.804 401 HH TYR 52 HH TYR 52 -6.973 6.172 4.087 402 H GLY 53 H GLY 53 -1.498 3.333 9.052 403 HA2 GLY 53 2HA GLY 53 -2.288 4.320 10.966 404 HA3 GLY 53 1HA GLY 53 -3.897 4.191 10.275 405 H PHE 54 H PHE 54 -3.360 3.886 12.999 406 HA PHE 54 HA PHE 54 -3.822 1.005 13.404 407 HB2 PHE 54 2HB PHE 54 -2.050 2.836 14.716 408 HB3 PHE 54 1HB PHE 54 -3.233 2.252 15.882 409 HD1 PHE 54 1HD PHE 54 -3.645 -0.362 15.780 410 HD2 PHE 54 2HD PHE 54 -0.134 1.614 14.412 411 HE1 PHE 54 1HE PHE 54 -2.379 -2.458 16.018 412 HE2 PHE 54 2HE PHE 54 1.139 -0.477 14.646 413 HZ PHE 54 HZ PHE 54 0.017 -2.517 15.450 414 HA PRO 55 HA PRO 55 -5.127 -0.480 14.159 415 HB2 PRO 55 2HB PRO 55 -7.514 -1.312 13.138 416 HB3 PRO 55 1HB PRO 55 -7.147 -1.302 14.867 417 HG2 PRO 55 2HG PRO 55 -8.675 0.696 13.242 418 HG3 PRO 55 1HG PRO 55 -9.051 0.032 14.844 419 HD2 PRO 55 2HD PRO 55 -7.945 2.469 14.532 420 HD3 PRO 55 1HD PRO 55 -7.547 1.426 15.913 421 HA PRO 56 HA PRO 56 -4.315 -0.219 9.839 422 HB2 PRO 56 2HB PRO 56 -4.591 -2.784 8.994 423 HB3 PRO 56 1HB PRO 56 -3.232 -2.238 9.983 424 HG2 PRO 56 2HG PRO 56 -5.725 -3.669 10.812 425 HG3 PRO 56 1HG PRO 56 -4.051 -3.942 11.331 426 HD2 PRO 56 2HD PRO 56 -5.838 -2.560 12.825 427 HD3 PRO 56 1HD PRO 56 -4.101 -2.197 12.834 428 H LYS 57 H LYS 57 -5.493 0.590 8.273 429 HA LYS 57 HA LYS 57 -8.307 -0.098 8.024 430 HB2 LYS 57 2HB LYS 57 -6.589 2.006 6.704 431 HB3 LYS 57 1HB LYS 57 -8.282 1.754 6.303 432 HG2 LYS 57 2HG LYS 57 -8.739 2.108 8.792 433 HG3 LYS 57 1HG LYS 57 -7.093 2.740 8.871 434 HD2 LYS 57 2HD LYS 57 -7.736 4.693 8.015 435 HD3 LYS 57 1HD LYS 57 -8.512 3.895 6.644 436 HE2 LYS 57 2HE LYS 57 -10.561 3.720 7.759 437 HE3 LYS 57 1HE LYS 57 -9.827 3.994 9.338 438 HZ1 LYS 57 3HZ LYS 57 -9.360 6.286 8.646 439 HZ2 LYS 57 1HZ LYS 57 -11.017 5.945 8.632 440 HZ3 LYS 57 2HZ LYS 57 -10.154 6.007 7.179 441 H GLU 58 H GLU 58 -9.076 -0.088 5.589 442 HA GLU 58 HA GLU 58 -7.354 -2.001 4.156 443 HB2 GLU 58 2HB GLU 58 -9.655 -2.748 5.120 444 HB3 GLU 58 1HB GLU 58 -10.322 -1.865 3.754 445 HG2 GLU 58 2HG GLU 58 -9.063 -3.257 2.212 446 HG3 GLU 58 1HG GLU 58 -8.334 -4.118 3.567 447 H LEU 59 H LEU 59 -6.393 0.008 3.277 448 HA LEU 59 HA LEU 59 -7.545 1.954 1.778 449 HB2 LEU 59 2HB LEU 59 -5.076 1.542 2.266 450 HB3 LEU 59 1HB LEU 59 -5.072 0.505 0.855 451 HG LEU 59 HG LEU 59 -5.498 2.330 -0.612 452 HD11 LEU 59 1HD1 LEU 59 -7.153 3.577 0.517 453 HD12 LEU 59 2HD1 LEU 59 -5.771 4.658 0.336 454 HD13 LEU 59 3HD1 LEU 59 -6.090 3.888 1.889 455 HD21 LEU 59 3HD2 LEU 59 -3.187 2.065 0.407 456 HD22 LEU 59 1HD2 LEU 59 -3.586 3.459 1.409 457 HD23 LEU 59 2HD2 LEU 59 -3.552 3.617 -0.348 458 H MET 60 H MET 60 -9.421 1.134 0.794 459 HA MET 60 HA MET 60 -9.488 -0.962 -1.076 460 HB2 MET 60 2HB MET 60 -11.658 0.001 -1.771 461 HB3 MET 60 1HB MET 60 -11.514 -0.149 -0.024 462 HG2 MET 60 2HG MET 60 -10.812 2.284 -0.020 463 HG3 MET 60 1HG MET 60 -11.354 2.335 -1.696 464 HE1 MET 60 3HE MET 60 -13.629 4.453 -0.322 465 HE2 MET 60 1HE MET 60 -12.052 4.133 0.399 466 HE3 MET 60 2HE MET 60 -13.519 3.907 1.351 467 HA PRO 61 HA PRO 61 -7.856 0.832 -4.756 468 HB2 PRO 61 2HB PRO 61 -9.270 -0.434 -6.675 469 HB3 PRO 61 1HB PRO 61 -8.070 -1.269 -5.682 470 HG2 PRO 61 2HG PRO 61 -11.051 -1.221 -5.413 471 HG3 PRO 61 1HG PRO 61 -9.935 -2.590 -5.258 472 HD2 PRO 61 2HD PRO 61 -10.974 -1.261 -3.119 473 HD3 PRO 61 1HD PRO 61 -9.390 -2.060 -3.090 474 HA PRO 62 HA PRO 62 -10.518 4.250 -5.751 475 HB2 PRO 62 2HB PRO 62 -9.082 5.274 -7.815 476 HB3 PRO 62 1HB PRO 62 -8.608 5.468 -6.125 477 HG2 PRO 62 2HG PRO 62 -7.602 3.528 -8.168 478 HG3 PRO 62 1HG PRO 62 -6.692 4.462 -6.967 479 HD2 PRO 62 2HD PRO 62 -7.312 1.850 -6.619 480 HD3 PRO 62 1HD PRO 62 -7.183 2.992 -5.265 481 H GLN 63 H GLN 63 -11.148 5.326 -8.057 482 HA GLN 63 HA GLN 63 -11.872 3.227 -9.955 483 HB2 GLN 63 2HB GLN 63 -14.209 3.883 -9.993 484 HB3 GLN 63 1HB GLN 63 -13.753 3.410 -8.362 485 HG2 GLN 63 2HG GLN 63 -13.288 6.073 -8.265 486 HG3 GLN 63 1HG GLN 63 -14.632 6.008 -9.402 487 HE21 GLN 63 1HE2 GLN 63 -13.698 4.398 -6.376 488 HE22 GLN 63 2HE2 GLN 63 -15.233 4.583 -5.605 489 H ALA 64 H ALA 64 -13.466 4.621 -11.654 490 HA ALA 64 HA ALA 64 -11.674 6.119 -13.168 491 HB1 ALA 64 1HB ALA 64 -13.360 5.411 -14.500 492 HB2 ALA 64 2HB ALA 64 -14.006 7.012 -14.139 493 HB3 ALA 64 3HB ALA 64 -14.583 5.607 -13.243 494 H GLY 65 H GLY 65 -10.684 7.778 -12.070 495 HA2 GLY 65 2HA GLY 65 -11.059 10.277 -12.133 496 HA3 GLY 65 1HA GLY 65 -12.444 9.945 -11.105 497 H MET 66 H MET 66 -10.979 7.841 -9.631 498 HA MET 66 HA MET 66 -9.421 9.638 -7.910 499 HB2 MET 66 2HB MET 66 -10.923 7.089 -7.370 500 HB3 MET 66 1HB MET 66 -9.750 7.725 -6.228 501 HG2 MET 66 2HG MET 66 -11.042 9.561 -5.715 502 HG3 MET 66 1HG MET 66 -11.943 9.479 -7.227 503 HE1 MET 66 3HE MET 66 -12.879 10.138 -4.587 504 HE2 MET 66 1HE MET 66 -13.099 8.853 -3.398 505 HE3 MET 66 2HE MET 66 -14.433 9.313 -4.458 506 H GLU 67 H GLU 67 -9.160 6.883 -9.959 507 HA GLU 67 HA GLU 67 -6.983 5.533 -8.906 508 HB2 GLU 67 2HB GLU 67 -6.501 4.861 -11.265 509 HB3 GLU 67 1HB GLU 67 -8.173 4.619 -10.776 510 HG2 GLU 67 2HG GLU 67 -8.949 6.345 -12.100 511 HG3 GLU 67 1HG GLU 67 -7.372 7.130 -12.176 512 H LYS 68 H LYS 68 -7.111 8.642 -10.416 513 HA LYS 68 HA LYS 68 -4.299 8.768 -11.015 514 HB2 LYS 68 2HB LYS 68 -6.271 11.049 -10.872 515 HB3 LYS 68 1HB LYS 68 -4.724 11.033 -11.706 516 HG2 LYS 68 2HG LYS 68 -5.515 9.701 -13.424 517 HG3 LYS 68 1HG LYS 68 -6.857 9.082 -12.460 518 HD2 LYS 68 2HD LYS 68 -6.591 11.919 -13.452 519 HD3 LYS 68 1HD LYS 68 -7.587 10.671 -14.202 520 HE2 LYS 68 2HE LYS 68 -9.226 11.451 -12.891 521 HE3 LYS 68 1HE LYS 68 -8.411 10.573 -11.598 522 HZ1 LYS 68 3HZ LYS 68 -7.667 12.464 -10.663 523 HZ2 LYS 68 1HZ LYS 68 -8.967 13.168 -11.487 524 HZ3 LYS 68 2HZ LYS 68 -7.410 13.244 -12.141 525 H GLU 69 H GLU 69 -6.312 9.441 -8.289 526 HA GLU 69 HA GLU 69 -4.617 11.317 -6.995 527 HB2 GLU 69 2HB GLU 69 -7.009 9.738 -6.292 528 HB3 GLU 69 1HB GLU 69 -5.969 10.159 -4.939 529 HG2 GLU 69 2HG GLU 69 -6.387 12.437 -6.647 530 HG3 GLU 69 1HG GLU 69 -7.924 11.741 -6.136 531 HA PRO 70 HA PRO 70 -1.504 8.579 -5.448 532 HB2 PRO 70 2HB PRO 70 -0.450 10.106 -3.502 533 HB3 PRO 70 1HB PRO 70 -0.258 10.509 -5.212 534 HG2 PRO 70 2HG PRO 70 -2.164 11.640 -3.202 535 HG3 PRO 70 1HG PRO 70 -1.213 12.482 -4.441 536 HD2 PRO 70 2HD PRO 70 -3.860 11.847 -4.728 537 HD3 PRO 70 1HD PRO 70 -2.739 12.029 -6.091 538 H VAL 71 H VAL 71 -0.757 7.511 -3.464 539 HA VAL 71 HA VAL 71 -2.914 6.435 -1.986 540 HB VAL 71 HB VAL 71 -1.019 5.438 -0.557 541 HG11 VAL 71 1HG1 VAL 71 -1.416 4.936 -3.486 542 HG12 VAL 71 2HG1 VAL 71 -2.053 4.034 -2.112 543 HG13 VAL 71 3HG1 VAL 71 -0.339 3.936 -2.512 544 HG21 VAL 71 3HG2 VAL 71 0.502 7.359 -1.732 545 HG22 VAL 71 1HG2 VAL 71 0.863 5.960 -2.743 546 HG23 VAL 71 2HG2 VAL 71 1.135 5.883 -1.002 547 HA PRO 72 HA PRO 72 -3.088 9.060 1.573 548 HB2 PRO 72 2HB PRO 72 -3.811 7.393 3.524 549 HB3 PRO 72 1HB PRO 72 -4.867 7.665 2.132 550 HG2 PRO 72 2HG PRO 72 -2.958 5.404 2.632 551 HG3 PRO 72 1HG PRO 72 -4.646 5.330 2.094 552 HD2 PRO 72 2HD PRO 72 -2.544 5.170 0.384 553 HD3 PRO 72 1HD PRO 72 -4.110 5.866 -0.078 554 H LEU 73 H LEU 73 -0.529 7.023 1.186 555 HA LEU 73 HA LEU 73 0.579 7.462 3.859 556 HB2 LEU 73 2HB LEU 73 2.025 5.892 1.789 557 HB3 LEU 73 1HB LEU 73 1.927 5.638 3.522 558 HG LEU 73 HG LEU 73 -0.374 5.116 1.643 559 HD11 LEU 73 1HD1 LEU 73 1.560 3.111 2.778 560 HD12 LEU 73 2HD1 LEU 73 1.558 3.680 1.109 561 HD13 LEU 73 3HD1 LEU 73 0.176 2.782 1.736 562 HD21 LEU 73 3HD2 LEU 73 0.092 4.090 4.431 563 HD22 LEU 73 1HD2 LEU 73 -1.380 3.988 3.467 564 HD23 LEU 73 2HD2 LEU 73 -0.831 5.549 4.076 565 H GLN 74 H GLN 74 2.766 8.235 4.095 566 HA GLN 74 HA GLN 74 3.798 9.779 1.826 567 HB2 GLN 74 2HB GLN 74 3.431 10.905 4.607 568 HB3 GLN 74 1HB GLN 74 4.147 11.741 3.236 569 HG2 GLN 74 2HG GLN 74 1.334 10.706 3.178 570 HG3 GLN 74 1HG GLN 74 1.740 12.295 3.824 571 HE21 GLN 74 1HE2 GLN 74 0.114 11.566 1.511 572 HE22 GLN 74 2HE2 GLN 74 0.830 12.361 0.155 573 H HIS 75 H HIS 75 5.956 10.908 2.677 574 HA HIS 75 HA HIS 75 7.827 8.873 3.026 575 HB2 HIS 75 2HB HIS 75 8.139 11.287 2.156 576 HB3 HIS 75 1HB HIS 75 8.366 11.714 3.849 577 HD1 HIS 75 1HD HIS 75 9.968 8.962 4.445 578 HD2 HIS 75 2HD HIS 75 10.814 11.808 1.537 579 HE1 HIS 75 1HE HIS 75 12.411 8.683 3.921 580 HE2 HIS 75 2HE HIS 75 12.920 10.473 2.223 581 H GLY 76 H GLY 76 7.923 7.586 4.752 582 HA2 GLY 76 2HA GLY 76 8.834 7.341 6.973 583 HA3 GLY 76 1HA GLY 76 8.092 8.874 7.396 584 H ASP 77 H ASP 77 5.947 7.076 5.548 585 HA ASP 77 HA ASP 77 4.361 6.490 7.902 586 HB2 ASP 77 2HB ASP 77 3.862 6.846 5.034 587 HB3 ASP 77 1HB ASP 77 2.921 5.547 5.757 588 H ARG 78 H ARG 78 3.006 4.333 7.598 589 HA ARG 78 HA ARG 78 4.734 2.121 6.783 590 HB2 ARG 78 2HB ARG 78 4.098 0.959 8.978 591 HB3 ARG 78 1HB ARG 78 5.338 2.204 9.055 592 HG2 ARG 78 2HG ARG 78 2.538 3.050 9.518 593 HG3 ARG 78 1HG ARG 78 3.319 2.083 10.773 594 HD2 ARG 78 2HD ARG 78 5.094 4.144 9.826 595 HD3 ARG 78 1HD ARG 78 3.559 4.840 10.346 596 HE ARG 78 HE ARG 78 4.225 3.133 12.357 597 HH11 ARG 78 1HH1 ARG 78 5.846 5.792 10.783 598 HH12 ARG 78 2HH1 ARG 78 6.747 6.241 12.192 599 HH21 ARG 78 1HH2 ARG 78 5.409 3.721 14.211 600 HH22 ARG 78 2HH2 ARG 78 6.499 5.065 14.139 601 H ILE 79 H ILE 79 3.636 0.227 6.267 602 HA ILE 79 HA ILE 79 0.723 0.273 6.490 603 HB ILE 79 HB ILE 79 0.764 -0.612 4.021 604 HG12 ILE 79 2HG1 ILE 79 3.150 1.245 4.043 605 HG13 ILE 79 1HG1 ILE 79 3.237 -0.500 3.832 606 HG21 ILE 79 1HG2 ILE 79 1.043 2.335 4.529 607 HG22 ILE 79 2HG2 ILE 79 -0.387 1.400 4.964 608 HG23 ILE 79 3HG2 ILE 79 0.095 1.537 3.275 609 HD11 ILE 79 3HD1 ILE 79 2.423 -0.420 1.705 610 HD12 ILE 79 1HD1 ILE 79 3.265 1.127 1.781 611 HD13 ILE 79 2HD1 ILE 79 1.515 1.066 1.988 612 H THR 80 H THR 80 -0.265 -1.794 5.820 613 HA THR 80 HA THR 80 1.557 -4.077 6.137 614 HB THR 80 HB THR 80 -1.129 -3.756 7.482 615 HG1 THR 80 1HG THR 80 0.149 -3.760 9.389 616 HG21 THR 80 3HG2 THR 80 0.158 -6.115 6.810 617 HG22 THR 80 1HG2 THR 80 -1.128 -5.907 7.999 618 HG23 THR 80 2HG2 THR 80 0.560 -5.852 8.507 619 H ILE 81 H ILE 81 1.288 -5.605 4.653 620 HA ILE 81 HA ILE 81 -1.023 -5.404 2.867 621 HB ILE 81 HB ILE 81 1.512 -6.975 2.423 622 HG12 ILE 81 2HG1 ILE 81 2.096 -4.636 2.630 623 HG13 ILE 81 1HG1 ILE 81 2.169 -5.092 0.932 624 HG21 ILE 81 1HG2 ILE 81 0.691 -6.600 -0.009 625 HG22 ILE 81 2HG2 ILE 81 -0.873 -6.305 0.751 626 HG23 ILE 81 3HG2 ILE 81 -0.061 -7.854 0.976 627 HD11 ILE 81 3HD1 ILE 81 -0.246 -4.169 0.840 628 HD12 ILE 81 1HD1 ILE 81 1.114 -3.047 0.867 629 HD13 ILE 81 2HD1 ILE 81 0.197 -3.355 2.341 630 H GLU 82 H GLU 82 -2.135 -7.299 2.183 631 HA GLU 82 HA GLU 82 -1.771 -9.654 3.895 632 HB2 GLU 82 2HB GLU 82 -3.590 -8.718 4.990 633 HB3 GLU 82 1HB GLU 82 -4.256 -8.030 3.518 634 HG2 GLU 82 2HG GLU 82 -5.040 -10.175 2.797 635 HG3 GLU 82 1HG GLU 82 -4.217 -10.974 4.134 636 H ILE 83 H ILE 83 -1.381 -11.343 2.638 637 HA ILE 83 HA ILE 83 -1.789 -11.360 -0.146 638 HB ILE 83 HB ILE 83 -1.305 -13.685 1.723 639 HG12 ILE 83 2HG1 ILE 83 0.973 -13.234 0.212 640 HG13 ILE 83 1HG1 ILE 83 0.401 -11.608 0.570 641 HG21 ILE 83 1HG2 ILE 83 -2.025 -14.814 -0.119 642 HG22 ILE 83 2HG2 ILE 83 -0.343 -14.569 -0.591 643 HG23 ILE 83 3HG2 ILE 83 -1.599 -13.505 -1.223 644 HD11 ILE 83 3HD1 ILE 83 1.640 -11.885 2.419 645 HD12 ILE 83 1HD1 ILE 83 1.558 -13.644 2.341 646 HD13 ILE 83 2HD1 ILE 83 0.208 -12.729 3.007 647 H LEU 84 H LEU 84 -3.742 -11.288 -1.031 648 HA LEU 84 HA LEU 84 -6.063 -12.395 0.220 649 HB2 LEU 84 2HB LEU 84 -5.800 -11.425 -2.619 650 HB3 LEU 84 1HB LEU 84 -7.276 -11.586 -1.686 651 HG LEU 84 HG LEU 84 -5.068 -9.578 -1.245 652 HD11 LEU 84 1HD1 LEU 84 -6.434 -8.009 -2.156 653 HD12 LEU 84 2HD1 LEU 84 -7.908 -8.846 -1.669 654 HD13 LEU 84 3HD1 LEU 84 -6.993 -9.414 -3.065 655 HD21 LEU 84 3HD2 LEU 84 -7.072 -8.799 0.394 656 HD22 LEU 84 1HD2 LEU 84 -5.678 -9.745 0.914 657 HD23 LEU 84 2HD2 LEU 84 -7.199 -10.552 0.533 658 H LYS 85 H LYS 85 -7.575 -13.779 -1.217 659 HA LYS 85 HA LYS 85 -6.044 -16.142 -1.990 660 HB2 LYS 85 2HB LYS 85 -8.478 -15.734 -0.598 661 HB3 LYS 85 1HB LYS 85 -8.883 -16.556 -2.099 662 HG2 LYS 85 2HG LYS 85 -8.505 -18.312 -0.662 663 HG3 LYS 85 1HG LYS 85 -6.941 -18.148 -1.464 664 HD2 LYS 85 2HD LYS 85 -7.263 -16.512 0.954 665 HD3 LYS 85 1HD LYS 85 -7.299 -18.254 1.231 666 HE2 LYS 85 2HE LYS 85 -5.176 -17.218 -0.554 667 HE3 LYS 85 1HE LYS 85 -5.033 -16.837 1.162 668 HZ1 LYS 85 3HZ LYS 85 -5.337 -19.276 1.572 669 HZ2 LYS 85 1HZ LYS 85 -3.890 -18.854 0.804 670 HZ3 LYS 85 2HZ LYS 85 -5.161 -19.520 -0.092 671 H GLY 86 H GLY 86 -5.367 -15.814 -4.044 672 HA2 GLY 86 2HA GLY 86 -6.788 -14.556 -6.101 673 HA3 GLY 86 1HA GLY 86 -5.473 -15.697 -6.333 Start of MODEL 5 1 H1 LYS 6 H LYS 6 12.359 14.343 -7.390 2 HA LYS 6 HA LYS 6 12.390 12.084 -7.138 3 HB2 LYS 6 2HB LYS 6 13.880 13.124 -4.995 4 HB3 LYS 6 1HB LYS 6 12.844 11.891 -4.290 5 HG2 LYS 6 2HG LYS 6 13.773 10.627 -6.519 6 HG3 LYS 6 1HG LYS 6 15.155 11.624 -6.059 7 HD2 LYS 6 2HD LYS 6 13.823 10.193 -3.853 8 HD3 LYS 6 1HD LYS 6 14.647 9.175 -5.035 9 HE2 LYS 6 2HE LYS 6 16.492 9.582 -3.837 10 HE3 LYS 6 1HE LYS 6 16.474 11.167 -4.607 11 HZ1 LYS 6 3HZ LYS 6 15.061 11.908 -2.690 12 HZ2 LYS 6 1HZ LYS 6 16.664 11.531 -2.300 13 HZ3 LYS 6 2HZ LYS 6 15.425 10.440 -1.933 14 H GLU 7 H GLU 7 11.623 10.448 -4.980 15 HA GLU 7 HA GLU 7 8.777 11.155 -4.696 16 HB2 GLU 7 2HB GLU 7 8.405 8.639 -4.650 17 HB3 GLU 7 1HB GLU 7 8.835 9.341 -6.201 18 HG2 GLU 7 2HG GLU 7 11.274 8.671 -5.156 19 HG3 GLU 7 1HG GLU 7 10.233 7.376 -4.576 20 H LYS 8 H LYS 8 7.888 9.324 -2.934 21 HA LYS 8 HA LYS 8 9.423 9.987 -0.529 22 HB2 LYS 8 2HB LYS 8 7.383 9.662 0.709 23 HB3 LYS 8 1HB LYS 8 7.055 10.727 -0.649 24 HG2 LYS 8 2HG LYS 8 6.555 8.094 -1.523 25 HG3 LYS 8 1HG LYS 8 5.801 8.269 0.061 26 HD2 LYS 8 2HD LYS 8 4.950 10.539 -0.943 27 HD3 LYS 8 1HD LYS 8 5.246 9.728 -2.482 28 HE2 LYS 8 2HE LYS 8 3.791 7.892 -1.804 29 HE3 LYS 8 1HE LYS 8 3.515 8.673 -0.248 30 HZ1 LYS 8 3HZ LYS 8 2.027 9.002 -2.522 31 HZ2 LYS 8 1HZ LYS 8 2.937 10.425 -2.423 32 HZ3 LYS 8 2HZ LYS 8 1.952 9.957 -1.130 33 H LYS 9 H LYS 9 9.597 8.410 1.168 34 HA LYS 9 HA LYS 9 9.737 5.656 0.137 35 HB2 LYS 9 2HB LYS 9 11.944 6.543 0.641 36 HB3 LYS 9 1HB LYS 9 11.418 7.019 2.250 37 HG2 LYS 9 2HG LYS 9 10.997 4.190 1.713 38 HG3 LYS 9 1HG LYS 9 12.688 4.677 1.586 39 HD2 LYS 9 2HD LYS 9 11.822 5.963 3.870 40 HD3 LYS 9 1HD LYS 9 10.992 4.408 3.939 41 HE2 LYS 9 2HE LYS 9 13.776 4.145 3.151 42 HE3 LYS 9 1HE LYS 9 13.595 4.923 4.722 43 HZ1 LYS 9 3HZ LYS 9 11.888 2.647 4.433 44 HZ2 LYS 9 1HZ LYS 9 13.000 3.012 5.654 45 HZ3 LYS 9 2HZ LYS 9 13.519 2.242 4.241 46 H ILE 10 H ILE 10 8.726 4.061 1.243 47 HA ILE 10 HA ILE 10 7.618 4.681 3.885 48 HB ILE 10 HB ILE 10 5.775 3.117 2.234 49 HG12 ILE 10 2HG1 ILE 10 6.480 5.951 1.465 50 HG13 ILE 10 1HG1 ILE 10 6.385 4.536 0.424 51 HG21 ILE 10 1HG2 ILE 10 5.150 3.856 4.418 52 HG22 ILE 10 2HG2 ILE 10 4.162 4.733 3.251 53 HG23 ILE 10 3HG2 ILE 10 5.534 5.531 4.021 54 HD11 ILE 10 3HD1 ILE 10 4.260 6.334 1.386 55 HD12 ILE 10 1HD1 ILE 10 3.853 4.621 1.272 56 HD13 ILE 10 2HD1 ILE 10 4.429 5.487 -0.152 57 H ARG 11 H ARG 11 6.792 2.724 5.012 58 HA ARG 11 HA ARG 11 8.552 0.455 4.413 59 HB2 ARG 11 2HB ARG 11 8.726 1.465 6.660 60 HB3 ARG 11 1HB ARG 11 7.031 1.095 6.949 61 HG2 ARG 11 2HG ARG 11 7.533 -1.300 6.725 62 HG3 ARG 11 1HG ARG 11 9.237 -0.905 6.490 63 HD2 ARG 11 2HD ARG 11 7.708 -0.033 8.926 64 HD3 ARG 11 1HD ARG 11 8.500 -1.603 8.830 65 HE ARG 11 HE ARG 11 10.598 -0.512 8.754 66 HH11 ARG 11 1HH1 ARG 11 7.937 1.711 9.216 67 HH12 ARG 11 2HH1 ARG 11 8.947 2.978 9.823 68 HH21 ARG 11 1HH2 ARG 11 11.915 1.159 9.548 69 HH22 ARG 11 2HH2 ARG 11 11.200 2.668 10.009 70 H ILE 12 H ILE 12 7.723 -1.728 4.713 71 HA ILE 12 HA ILE 12 4.820 -1.994 4.401 72 HB ILE 12 HB ILE 12 6.787 -3.419 2.610 73 HG12 ILE 12 2HG1 ILE 12 4.779 -1.427 1.620 74 HG13 ILE 12 1HG1 ILE 12 6.316 -0.855 2.260 75 HG21 ILE 12 1HG2 ILE 12 4.643 -4.016 1.402 76 HG22 ILE 12 2HG2 ILE 12 3.793 -3.437 2.834 77 HG23 ILE 12 3HG2 ILE 12 4.910 -4.797 2.960 78 HD11 ILE 12 3HD1 ILE 12 6.447 -1.060 -0.133 79 HD12 ILE 12 1HD1 ILE 12 5.928 -2.743 -0.050 80 HD13 ILE 12 2HD1 ILE 12 7.490 -2.268 0.620 81 H THR 13 H THR 13 3.974 -3.982 5.056 82 HA THR 13 HA THR 13 5.774 -6.029 6.027 83 HB THR 13 HB THR 13 3.765 -5.084 8.014 84 HG1 THR 13 1HG THR 13 4.855 -3.196 7.630 85 HG21 THR 13 3HG2 THR 13 6.023 -5.689 9.352 86 HG22 THR 13 1HG2 THR 13 6.154 -6.763 7.962 87 HG23 THR 13 2HG2 THR 13 4.729 -6.834 8.998 88 H THR 14 H THR 14 4.961 -7.901 5.370 89 HA THR 14 HA THR 14 2.105 -8.064 4.818 90 HB THR 14 HB THR 14 2.526 -9.737 3.320 91 HG1 THR 14 1HG THR 14 3.547 -11.409 3.987 92 HG21 THR 14 3HG2 THR 14 5.106 -9.418 2.582 93 HG22 THR 14 1HG2 THR 14 4.801 -7.902 3.427 94 HG23 THR 14 2HG2 THR 14 3.776 -8.377 2.076 95 H ASN 15 H ASN 15 0.754 -9.552 5.652 96 HA ASN 15 HA ASN 15 0.932 -10.207 8.321 97 HB2 ASN 15 2HB ASN 15 -0.912 -11.878 7.800 98 HB3 ASN 15 1HB ASN 15 -1.209 -10.215 7.303 99 HD21 ASN 15 1HD2 ASN 15 -2.702 -12.093 6.161 100 HD22 ASN 15 2HD2 ASN 15 -2.224 -12.368 4.524 101 H ASP 16 H ASP 16 2.221 -11.930 5.589 102 HA ASP 16 HA ASP 16 2.470 -14.479 6.721 103 HB2 ASP 16 2HB ASP 16 3.160 -13.329 4.314 104 HB3 ASP 16 1HB ASP 16 4.728 -13.706 5.022 105 H GLY 17 H GLY 17 4.077 -11.550 7.469 106 HA2 GLY 17 2HA GLY 17 5.268 -11.428 9.568 107 HA3 GLY 17 1HA GLY 17 5.896 -13.039 9.248 108 H ARG 18 H ARG 18 5.734 -10.557 6.786 109 HA ARG 18 HA ARG 18 8.657 -10.203 7.007 110 HB2 ARG 18 2HB ARG 18 8.832 -10.290 4.568 111 HB3 ARG 18 1HB ARG 18 8.175 -11.790 5.206 112 HG2 ARG 18 2HG ARG 18 5.928 -11.034 4.622 113 HG3 ARG 18 1HG ARG 18 6.612 -9.566 3.922 114 HD2 ARG 18 2HD ARG 18 6.305 -10.991 2.097 115 HD3 ARG 18 1HD ARG 18 8.018 -11.137 2.482 116 HE ARG 18 HE ARG 18 7.641 -13.294 3.279 117 HH11 ARG 18 1HH1 ARG 18 4.636 -11.784 2.351 118 HH12 ARG 18 2HH1 ARG 18 3.787 -13.283 2.205 119 HH21 ARG 18 1HH2 ARG 18 6.523 -15.268 3.091 120 HH22 ARG 18 2HH2 ARG 18 4.858 -15.263 2.616 121 H GLN 19 H GLN 19 9.481 -8.256 5.956 122 HA GLN 19 HA GLN 19 7.536 -6.191 5.329 123 HB2 GLN 19 2HB GLN 19 9.013 -4.662 6.930 124 HB3 GLN 19 1HB GLN 19 7.584 -5.505 7.502 125 HG2 GLN 19 2HG GLN 19 8.757 -6.774 8.902 126 HG3 GLN 19 1HG GLN 19 9.997 -7.115 7.695 127 HE21 GLN 19 1HE2 GLN 19 8.876 -4.139 9.269 128 HE22 GLN 19 2HE2 GLN 19 10.430 -3.656 9.849 129 H SER 20 H SER 20 8.471 -4.299 4.360 130 HA SER 20 HA SER 20 11.256 -4.199 3.721 131 HB2 SER 20 2HB SER 20 9.312 -5.322 1.746 132 HB3 SER 20 1HB SER 20 10.625 -4.305 1.155 133 HG SER 20 HG SER 20 12.030 -5.755 2.412 134 H MET 21 H MET 21 11.831 -2.288 2.563 135 HA MET 21 HA MET 21 9.796 -0.196 2.786 136 HB2 MET 21 2HB MET 21 11.549 1.379 2.953 137 HB3 MET 21 1HB MET 21 12.058 0.011 3.930 138 HG2 MET 21 2HG MET 21 12.945 0.206 1.087 139 HG3 MET 21 1HG MET 21 13.732 1.181 2.324 140 HE1 MET 21 3HE MET 21 14.847 -2.492 0.761 141 HE2 MET 21 1HE MET 21 13.282 -1.728 0.487 142 HE3 MET 21 2HE MET 21 13.405 -3.124 1.557 143 H VAL 22 H VAL 22 9.751 1.501 1.143 144 HA VAL 22 HA VAL 22 10.639 0.674 -1.510 145 HB VAL 22 HB VAL 22 8.325 1.225 -2.397 146 HG11 VAL 22 1HG1 VAL 22 7.513 -1.035 -2.066 147 HG12 VAL 22 2HG1 VAL 22 8.595 -1.242 -0.689 148 HG13 VAL 22 3HG1 VAL 22 9.259 -1.048 -2.312 149 HG21 VAL 22 3HG2 VAL 22 6.456 0.880 -0.849 150 HG22 VAL 22 1HG2 VAL 22 7.430 2.283 -0.406 151 HG23 VAL 22 2HG2 VAL 22 7.600 0.773 0.490 152 H THR 23 H THR 23 9.976 2.396 -3.161 153 HA THR 23 HA THR 23 10.327 5.060 -1.949 154 HB THR 23 HB THR 23 12.263 4.132 -3.285 155 HG1 THR 23 1HG THR 23 12.538 6.101 -4.442 156 HG21 THR 23 3HG2 THR 23 10.287 3.568 -5.176 157 HG22 THR 23 1HG2 THR 23 12.032 3.388 -5.348 158 HG23 THR 23 2HG2 THR 23 11.247 4.886 -5.847 159 H LEU 24 H LEU 24 7.798 4.165 -2.153 160 HA LEU 24 HA LEU 24 6.286 4.354 -4.377 161 HB2 LEU 24 2HB LEU 24 5.814 4.467 -1.644 162 HB3 LEU 24 1HB LEU 24 5.083 5.938 -2.257 163 HG LEU 24 HG LEU 24 3.744 4.605 -3.839 164 HD11 LEU 24 1HD1 LEU 24 4.419 2.089 -2.432 165 HD12 LEU 24 2HD1 LEU 24 5.573 2.684 -3.626 166 HD13 LEU 24 3HD1 LEU 24 3.906 2.358 -4.098 167 HD21 LEU 24 3HD2 LEU 24 3.418 3.535 -1.047 168 HD22 LEU 24 1HD2 LEU 24 2.169 3.813 -2.262 169 HD23 LEU 24 2HD2 LEU 24 2.982 5.183 -1.505 170 H LYS 25 H LYS 25 5.687 5.820 -5.840 171 HA LYS 25 HA LYS 25 6.982 8.353 -5.933 172 HB2 LYS 25 2HB LYS 25 5.563 6.663 -7.735 173 HB3 LYS 25 1HB LYS 25 4.826 8.258 -7.794 174 HG2 LYS 25 2HG LYS 25 7.582 8.713 -7.839 175 HG3 LYS 25 1HG LYS 25 7.306 7.345 -8.920 176 HD2 LYS 25 2HD LYS 25 7.172 9.489 -10.108 177 HD3 LYS 25 1HD LYS 25 5.635 8.623 -10.142 178 HE2 LYS 25 2HE LYS 25 4.632 10.403 -9.275 179 HE3 LYS 25 1HE LYS 25 5.627 10.245 -7.828 180 HZ1 LYS 25 3HZ LYS 25 5.645 12.389 -9.397 181 HZ2 LYS 25 1HZ LYS 25 6.902 11.508 -10.112 182 HZ3 LYS 25 2HZ LYS 25 6.976 11.910 -8.470 183 H SER 26 H SER 26 6.038 10.430 -5.906 184 HA SER 26 HA SER 26 4.238 10.929 -3.847 185 HB2 SER 26 2HB SER 26 5.346 12.542 -6.099 186 HB3 SER 26 1HB SER 26 3.971 13.199 -5.211 187 HG SER 26 HG SER 26 5.210 13.531 -3.535 188 H SER 27 H SER 27 3.670 10.663 -7.328 189 HA SER 27 HA SER 27 0.794 10.989 -6.894 190 HB2 SER 27 2HB SER 27 0.589 11.342 -9.240 191 HB3 SER 27 1HB SER 27 2.023 12.235 -8.742 192 HG SER 27 HG SER 27 2.389 10.996 -10.633 193 H THR 28 H THR 28 2.023 8.639 -5.901 194 HA THR 28 HA THR 28 1.386 6.520 -7.788 195 HB THR 28 HB THR 28 2.607 6.573 -5.035 196 HG1 THR 28 1HG THR 28 3.547 5.612 -7.531 197 HG21 THR 28 3HG2 THR 28 1.867 4.521 -4.633 198 HG22 THR 28 1HG2 THR 28 2.936 3.996 -5.934 199 HG23 THR 28 2HG2 THR 28 1.238 4.336 -6.269 200 H THR 29 H THR 29 -0.700 6.022 -8.009 201 HA THR 29 HA THR 29 -2.561 6.348 -5.819 202 HB THR 29 HB THR 29 -3.299 6.936 -8.055 203 HG1 THR 29 1HG THR 29 -4.667 4.546 -7.474 204 HG21 THR 29 3HG2 THR 29 -3.691 5.208 -9.764 205 HG22 THR 29 1HG2 THR 29 -2.788 4.062 -8.773 206 HG23 THR 29 2HG2 THR 29 -1.981 5.482 -9.436 207 H PHE 30 H PHE 30 -4.203 4.430 -5.570 208 HA PHE 30 HA PHE 30 -3.027 2.386 -4.200 209 HB2 PHE 30 2HB PHE 30 -5.448 2.864 -4.170 210 HB3 PHE 30 1HB PHE 30 -5.594 2.173 -5.784 211 HD1 PHE 30 1HD PHE 30 -4.384 1.284 -2.375 212 HD2 PHE 30 2HD PHE 30 -6.178 -0.043 -5.997 213 HE1 PHE 30 1HE PHE 30 -4.725 -0.942 -1.385 214 HE2 PHE 30 2HE PHE 30 -6.523 -2.272 -5.014 215 HZ PHE 30 HZ PHE 30 -5.797 -2.724 -2.704 216 H PHE 31 H PHE 31 -3.681 2.505 -7.661 217 HA PHE 31 HA PHE 31 -3.007 -0.195 -8.205 218 HB2 PHE 31 2HB PHE 31 -2.844 2.170 -10.083 219 HB3 PHE 31 1HB PHE 31 -2.947 0.472 -10.537 220 HD1 PHE 31 2HD PHE 31 -5.051 -0.576 -8.874 221 HD2 PHE 31 1HD PHE 31 -4.767 3.209 -10.797 222 HE1 PHE 31 2HE PHE 31 -7.506 -0.419 -8.918 223 HE2 PHE 31 1HE PHE 31 -7.222 3.374 -10.844 224 HZ PHE 31 HZ PHE 31 -8.595 1.558 -9.904 225 H GLU 32 H GLU 32 -1.175 2.838 -8.536 226 HA GLU 32 HA GLU 32 1.222 1.690 -9.427 227 HB2 GLU 32 2HB GLU 32 0.496 4.273 -8.108 228 HB3 GLU 32 1HB GLU 32 2.195 3.849 -8.272 229 HG2 GLU 32 2HG GLU 32 0.886 3.408 -10.766 230 HG3 GLU 32 1HG GLU 32 0.489 5.024 -10.182 231 H LEU 33 H LEU 33 -0.136 2.059 -6.233 232 HA LEU 33 HA LEU 33 2.253 1.496 -4.788 233 HB2 LEU 33 2HB LEU 33 0.550 2.631 -3.612 234 HB3 LEU 33 1HB LEU 33 -0.669 1.461 -4.079 235 HG LEU 33 HG LEU 33 0.259 -0.190 -2.583 236 HD11 LEU 33 1HD1 LEU 33 2.562 0.084 -2.634 237 HD12 LEU 33 2HD1 LEU 33 2.127 0.625 -1.012 238 HD13 LEU 33 3HD1 LEU 33 2.463 1.808 -2.276 239 HD21 LEU 33 3HD2 LEU 33 -0.334 0.778 -0.521 240 HD22 LEU 33 1HD2 LEU 33 -1.275 1.643 -1.735 241 HD23 LEU 33 2HD2 LEU 33 0.166 2.386 -1.042 242 H GLN 34 H GLN 34 -0.508 -0.460 -5.845 243 HA GLN 34 HA GLN 34 0.236 -2.872 -4.640 244 HB2 GLN 34 2HB GLN 34 -1.251 -2.435 -7.237 245 HB3 GLN 34 1HB GLN 34 -1.194 -3.948 -6.345 246 HG2 GLN 34 2HG GLN 34 -2.076 -1.659 -4.757 247 HG3 GLN 34 1HG GLN 34 -3.132 -2.054 -6.112 248 HE21 GLN 34 1HE2 GLN 34 -1.217 -3.952 -3.801 249 HE22 GLN 34 2HE2 GLN 34 -2.517 -4.974 -3.303 250 H GLU 35 H GLU 35 1.427 -1.277 -7.488 251 HA GLU 35 HA GLU 35 2.756 -3.592 -8.557 252 HB2 GLU 35 2HB GLU 35 1.961 -1.720 -9.981 253 HB3 GLU 35 1HB GLU 35 3.155 -0.672 -9.228 254 HG2 GLU 35 2HG GLU 35 4.743 -1.375 -10.598 255 HG3 GLU 35 1HG GLU 35 4.396 -3.063 -10.231 256 H SER 36 H SER 36 3.523 -1.051 -6.322 257 HA SER 36 HA SER 36 6.359 -1.325 -6.452 258 HB2 SER 36 2HB SER 36 4.809 -0.251 -4.096 259 HB3 SER 36 1HB SER 36 6.438 0.180 -4.617 260 HG SER 36 HG SER 36 3.961 0.914 -5.727 261 H ILE 37 H ILE 37 3.931 -2.361 -4.056 262 HA ILE 37 HA ILE 37 5.676 -3.813 -2.417 263 HB ILE 37 HB ILE 37 2.765 -4.450 -2.907 264 HG12 ILE 37 2HG1 ILE 37 3.383 -2.860 -0.542 265 HG13 ILE 37 1HG1 ILE 37 3.805 -2.026 -2.035 266 HG21 ILE 37 1HG2 ILE 37 4.304 -6.046 -1.601 267 HG22 ILE 37 2HG2 ILE 37 2.768 -5.577 -0.872 268 HG23 ILE 37 3HG2 ILE 37 4.264 -4.813 -0.341 269 HD11 ILE 37 3HD1 ILE 37 1.110 -3.217 -1.431 270 HD12 ILE 37 1HD1 ILE 37 1.551 -2.268 -2.850 271 HD13 ILE 37 2HD1 ILE 37 1.536 -1.514 -1.255 272 H ALA 38 H ALA 38 3.949 -4.696 -5.345 273 HA ALA 38 HA ALA 38 4.316 -7.467 -5.268 274 HB1 ALA 38 1HB ALA 38 4.130 -7.308 -7.780 275 HB2 ALA 38 2HB ALA 38 4.055 -5.557 -7.578 276 HB3 ALA 38 3HB ALA 38 2.809 -6.582 -6.865 277 H ARG 39 H ARG 39 6.583 -4.941 -5.715 278 HA ARG 39 HA ARG 39 8.536 -6.648 -7.037 279 HB2 ARG 39 2HB ARG 39 9.084 -3.884 -6.002 280 HB3 ARG 39 1HB ARG 39 9.845 -4.727 -7.344 281 HG2 ARG 39 2HG ARG 39 7.293 -4.601 -8.223 282 HG3 ARG 39 1HG ARG 39 7.388 -3.125 -7.263 283 HD2 ARG 39 2HD ARG 39 9.546 -2.630 -8.503 284 HD3 ARG 39 1HD ARG 39 9.100 -3.938 -9.597 285 HE ARG 39 HE ARG 39 6.943 -2.158 -9.393 286 HH11 ARG 39 1HH1 ARG 39 10.186 -2.283 -10.678 287 HH12 ARG 39 2HH1 ARG 39 9.866 -1.136 -11.936 288 HH21 ARG 39 1HH2 ARG 39 6.523 -0.647 -11.048 289 HH22 ARG 39 2HH2 ARG 39 7.788 -0.208 -12.146 290 H GLU 40 H GLU 40 8.362 -4.688 -4.076 291 HA GLU 40 HA GLU 40 10.691 -5.638 -2.878 292 HB2 GLU 40 2HB GLU 40 8.330 -4.124 -2.046 293 HB3 GLU 40 1HB GLU 40 9.042 -5.069 -0.746 294 HG2 GLU 40 2HG GLU 40 9.884 -2.744 -0.906 295 HG3 GLU 40 1HG GLU 40 11.140 -3.978 -0.996 296 H PHE 41 H PHE 41 7.484 -7.009 -3.021 297 HA PHE 41 HA PHE 41 8.426 -9.268 -1.381 298 HB2 PHE 41 2HB PHE 41 5.580 -8.303 -1.724 299 HB3 PHE 41 1HB PHE 41 6.104 -9.649 -0.718 300 HD1 PHE 41 2HD PHE 41 6.230 -5.986 -1.117 301 HD2 PHE 41 1HD PHE 41 6.982 -9.296 1.446 302 HE1 PHE 41 2HE PHE 41 6.555 -4.445 0.772 303 HE2 PHE 41 1HE PHE 41 7.309 -7.763 3.341 304 HZ PHE 41 HZ PHE 41 7.097 -5.333 3.005 305 H ASN 42 H ASN 42 6.634 -11.174 -1.888 306 HA ASN 42 HA ASN 42 6.892 -11.608 -4.788 307 HB2 ASN 42 2HB ASN 42 6.679 -13.740 -2.659 308 HB3 ASN 42 1HB ASN 42 7.098 -13.960 -4.355 309 HD21 ASN 42 1HD2 ASN 42 8.972 -12.216 -4.901 310 HD22 ASN 42 2HD2 ASN 42 10.351 -12.398 -3.877 311 H ILE 43 H ILE 43 4.682 -10.196 -3.851 312 HA ILE 43 HA ILE 43 2.536 -12.139 -4.361 313 HB ILE 43 HB ILE 43 2.286 -9.754 -2.526 314 HG12 ILE 43 2HG1 ILE 43 1.828 -11.977 -0.993 315 HG13 ILE 43 1HG1 ILE 43 3.118 -12.537 -2.054 316 HG21 ILE 43 1HG2 ILE 43 0.252 -10.526 -3.812 317 HG22 ILE 43 2HG2 ILE 43 0.094 -10.503 -2.056 318 HG23 ILE 43 3HG2 ILE 43 0.355 -12.030 -2.898 319 HD11 ILE 43 3HD1 ILE 43 4.490 -11.621 -0.568 320 HD12 ILE 43 1HD1 ILE 43 3.200 -10.675 0.173 321 HD13 ILE 43 2HD1 ILE 43 4.015 -10.075 -1.271 322 HA PRO 44 HA PRO 44 1.630 -9.396 -7.730 323 HB2 PRO 44 2HB PRO 44 -0.850 -10.326 -8.339 324 HB3 PRO 44 1HB PRO 44 0.633 -11.190 -8.759 325 HG2 PRO 44 2HG PRO 44 -1.240 -11.646 -6.473 326 HG3 PRO 44 1HG PRO 44 -0.443 -12.832 -7.521 327 HD2 PRO 44 2HD PRO 44 0.455 -12.240 -5.031 328 HD3 PRO 44 1HD PRO 44 1.540 -12.719 -6.350 329 HA PRO 45 HA PRO 45 -0.818 -6.036 -6.276 330 HB2 PRO 45 2HB PRO 45 -2.238 -5.282 -8.485 331 HB3 PRO 45 1HB PRO 45 -0.520 -4.934 -8.261 332 HG2 PRO 45 2HG PRO 45 -1.820 -7.124 -9.835 333 HG3 PRO 45 1HG PRO 45 -0.435 -6.103 -10.269 334 HD2 PRO 45 2HD PRO 45 -0.120 -8.623 -9.371 335 HD3 PRO 45 1HD PRO 45 1.039 -7.336 -8.979 336 H TYR 46 H TYR 46 -2.451 -8.744 -7.720 337 HA TYR 46 HA TYR 46 -5.036 -7.859 -6.689 338 HB2 TYR 46 2HB TYR 46 -5.983 -9.744 -7.906 339 HB3 TYR 46 1HB TYR 46 -4.952 -8.789 -8.966 340 HD1 TYR 46 2HD TYR 46 -2.807 -9.677 -9.743 341 HD2 TYR 46 1HD TYR 46 -5.400 -12.005 -7.303 342 HE1 TYR 46 2HE TYR 46 -1.549 -11.702 -10.348 343 HE2 TYR 46 1HE TYR 46 -4.150 -14.036 -7.902 344 HH TYR 46 HH TYR 46 -1.821 -14.084 -10.424 345 H LEU 47 H LEU 47 -2.495 -9.187 -5.275 346 HA LEU 47 HA LEU 47 -4.153 -10.865 -3.517 347 HB2 LEU 47 2HB LEU 47 -1.368 -11.451 -4.506 348 HB3 LEU 47 1HB LEU 47 -2.108 -12.286 -3.156 349 HG LEU 47 HG LEU 47 -3.101 -12.311 -6.005 350 HD11 LEU 47 1HD1 LEU 47 -0.972 -13.623 -5.230 351 HD12 LEU 47 2HD1 LEU 47 -2.188 -14.401 -6.245 352 HD13 LEU 47 3HD1 LEU 47 -2.160 -14.708 -4.509 353 HD21 LEU 47 3HD2 LEU 47 -4.425 -12.888 -3.520 354 HD22 LEU 47 1HD2 LEU 47 -4.289 -14.348 -4.497 355 HD23 LEU 47 2HD2 LEU 47 -5.066 -12.912 -5.163 356 H GLN 48 H GLN 48 -2.521 -8.074 -3.683 357 HA GLN 48 HA GLN 48 -1.388 -8.309 -0.981 358 HB2 GLN 48 2HB GLN 48 -0.814 -6.344 -3.200 359 HB3 GLN 48 1HB GLN 48 -0.174 -6.191 -1.569 360 HG2 GLN 48 2HG GLN 48 1.049 -8.241 -1.795 361 HG3 GLN 48 1HG GLN 48 0.303 -8.561 -3.359 362 HE21 GLN 48 1HE2 GLN 48 0.491 -6.238 -4.669 363 HE22 GLN 48 2HE2 GLN 48 2.142 -5.772 -4.874 364 H CYS 49 H CYS 49 -2.735 -7.646 0.541 365 HA CYS 49 HA CYS 49 -4.560 -5.416 -0.031 366 HB2 CYS 49 2HB CYS 49 -5.705 -7.392 0.754 367 HB3 CYS 49 1HB CYS 49 -4.611 -7.541 2.121 368 HG CYS 49 HG CYS 49 -5.830 -5.700 3.328 369 H ILE 50 H ILE 50 -3.485 -3.579 0.382 370 HA ILE 50 HA ILE 50 -1.570 -3.322 2.498 371 HB ILE 50 HB ILE 50 -2.834 -1.114 0.878 372 HG12 ILE 50 2HG1 ILE 50 -0.154 -1.951 0.093 373 HG13 ILE 50 1HG1 ILE 50 -1.336 -3.242 -0.104 374 HG21 ILE 50 1HG2 ILE 50 -1.719 -0.010 2.541 375 HG22 ILE 50 2HG2 ILE 50 -0.416 -0.196 1.367 376 HG23 ILE 50 3HG2 ILE 50 -0.525 -1.292 2.744 377 HD11 ILE 50 3HD1 ILE 50 -0.919 -1.704 -2.084 378 HD12 ILE 50 1HD1 ILE 50 -1.817 -0.487 -1.178 379 HD13 ILE 50 2HD1 ILE 50 -2.596 -2.003 -1.630 380 H ARG 51 H ARG 51 -1.676 -1.893 4.274 381 HA ARG 51 HA ARG 51 -4.292 -0.906 5.084 382 HB2 ARG 51 2HB ARG 51 -2.657 -2.716 6.869 383 HB3 ARG 51 1HB ARG 51 -4.204 -1.978 7.261 384 HG2 ARG 51 2HG ARG 51 -5.060 -3.278 5.185 385 HG3 ARG 51 1HG ARG 51 -3.605 -4.249 5.419 386 HD2 ARG 51 2HD ARG 51 -4.298 -4.665 7.750 387 HD3 ARG 51 1HD ARG 51 -5.779 -3.757 7.451 388 HE ARG 51 HE ARG 51 -5.174 -6.444 6.589 389 HH11 ARG 51 1HH1 ARG 51 -7.180 -3.632 6.083 390 HH12 ARG 51 2HH1 ARG 51 -8.454 -4.524 5.323 391 HH21 ARG 51 1HH2 ARG 51 -6.849 -7.616 5.589 392 HH22 ARG 51 2HH2 ARG 51 -8.266 -6.785 5.042 393 H TYR 52 H TYR 52 -4.201 0.826 6.507 394 HA TYR 52 HA TYR 52 -1.626 1.644 7.582 395 HB2 TYR 52 2HB TYR 52 -1.665 3.840 6.551 396 HB3 TYR 52 1HB TYR 52 -1.697 2.604 5.298 397 HD1 TYR 52 1HD TYR 52 -4.101 1.934 4.458 398 HD2 TYR 52 2HD TYR 52 -3.172 5.590 6.423 399 HE1 TYR 52 1HE TYR 52 -6.113 2.961 3.486 400 HE2 TYR 52 2HE TYR 52 -5.182 6.628 5.459 401 HH TYR 52 HH TYR 52 -7.678 5.023 4.246 402 H GLY 53 H GLY 53 -1.838 3.645 8.938 403 HA2 GLY 53 2HA GLY 53 -2.852 4.831 10.621 404 HA3 GLY 53 1HA GLY 53 -4.376 4.573 9.785 405 H PHE 54 H PHE 54 -4.627 4.601 12.377 406 HA PHE 54 HA PHE 54 -4.922 1.772 13.114 407 HB2 PHE 54 2HB PHE 54 -3.286 3.718 14.411 408 HB3 PHE 54 1HB PHE 54 -4.614 3.308 15.492 409 HD1 PHE 54 2HD PHE 54 -2.341 1.479 13.157 410 HD2 PHE 54 1HD PHE 54 -4.143 1.665 17.008 411 HE1 PHE 54 2HE PHE 54 -1.173 -0.589 13.799 412 HE2 PHE 54 1HE PHE 54 -2.977 -0.402 17.657 413 HZ PHE 54 HZ PHE 54 -1.491 -1.532 16.051 414 HA PRO 55 HA PRO 55 -6.253 0.379 13.903 415 HB2 PRO 55 2HB PRO 55 -8.523 -0.683 12.859 416 HB3 PRO 55 1HB PRO 55 -8.308 -0.386 14.588 417 HG2 PRO 55 2HG PRO 55 -9.738 1.272 12.544 418 HG3 PRO 55 1HG PRO 55 -10.240 0.849 14.192 419 HD2 PRO 55 2HD PRO 55 -9.160 3.249 13.584 420 HD3 PRO 55 1HD PRO 55 -8.895 2.460 15.151 421 HA PRO 56 HA PRO 56 -4.740 0.468 9.740 422 HB2 PRO 56 2HB PRO 56 -5.149 -2.484 9.902 423 HB3 PRO 56 1HB PRO 56 -3.723 -1.571 9.394 424 HG2 PRO 56 2HG PRO 56 -3.816 -2.715 11.795 425 HG3 PRO 56 1HG PRO 56 -3.071 -1.121 11.572 426 HD2 PRO 56 2HD PRO 56 -5.702 -1.831 12.770 427 HD3 PRO 56 1HD PRO 56 -4.591 -0.514 13.184 428 H LYS 57 H LYS 57 -5.797 0.903 7.959 429 HA LYS 57 HA LYS 57 -8.510 -0.071 7.584 430 HB2 LYS 57 2HB LYS 57 -6.855 1.960 6.079 431 HB3 LYS 57 1HB LYS 57 -8.496 1.515 5.629 432 HG2 LYS 57 2HG LYS 57 -9.408 2.472 7.556 433 HG3 LYS 57 1HG LYS 57 -7.845 2.533 8.372 434 HD2 LYS 57 2HD LYS 57 -7.854 4.689 7.733 435 HD3 LYS 57 1HD LYS 57 -7.346 4.043 6.172 436 HE2 LYS 57 2HE LYS 57 -9.127 5.415 5.604 437 HE3 LYS 57 1HE LYS 57 -9.878 3.823 5.704 438 HZ1 LYS 57 3HZ LYS 57 -9.955 5.958 7.765 439 HZ2 LYS 57 1HZ LYS 57 -10.554 4.393 7.997 440 HZ3 LYS 57 2HZ LYS 57 -11.250 5.400 6.831 441 H GLU 58 H GLU 58 -9.052 -0.479 5.127 442 HA GLU 58 HA GLU 58 -7.314 -2.680 4.314 443 HB2 GLU 58 2HB GLU 58 -9.698 -3.158 4.567 444 HB3 GLU 58 1HB GLU 58 -10.088 -1.911 3.391 445 HG2 GLU 58 2HG GLU 58 -9.401 -3.173 1.612 446 HG3 GLU 58 1HG GLU 58 -8.260 -4.109 2.576 447 H LEU 59 H LEU 59 -8.028 0.539 3.426 448 HA LEU 59 HA LEU 59 -7.499 1.843 1.638 449 HB2 LEU 59 2HB LEU 59 -5.253 1.103 2.464 450 HB3 LEU 59 1HB LEU 59 -5.287 -0.169 1.262 451 HG LEU 59 HG LEU 59 -5.100 1.361 -0.529 452 HD11 LEU 59 1HD1 LEU 59 -6.481 3.135 -0.272 453 HD12 LEU 59 2HD1 LEU 59 -4.987 3.912 0.248 454 HD13 LEU 59 3HD1 LEU 59 -6.128 3.304 1.447 455 HD21 LEU 59 3HD2 LEU 59 -2.947 1.237 0.160 456 HD22 LEU 59 1HD2 LEU 59 -3.319 1.798 1.790 457 HD23 LEU 59 2HD2 LEU 59 -3.204 2.955 0.463 458 H MET 60 H MET 60 -9.480 1.102 0.598 459 HA MET 60 HA MET 60 -9.381 -0.985 -1.359 460 HB2 MET 60 2HB MET 60 -11.638 -0.244 -1.954 461 HB3 MET 60 1HB MET 60 -11.466 -0.413 -0.212 462 HG2 MET 60 2HG MET 60 -11.005 2.085 -0.180 463 HG3 MET 60 1HG MET 60 -11.602 2.099 -1.838 464 HE1 MET 60 3HE MET 60 -14.045 3.287 1.322 465 HE2 MET 60 1HE MET 60 -13.659 4.027 -0.230 466 HE3 MET 60 2HE MET 60 -12.361 3.519 0.851 467 HA PRO 61 HA PRO 61 -7.896 1.201 -4.875 468 HB2 PRO 61 2HB PRO 61 -9.380 0.120 -6.884 469 HB3 PRO 61 1HB PRO 61 -8.065 -0.745 -6.078 470 HG2 PRO 61 2HG PRO 61 -11.018 -0.940 -5.633 471 HG3 PRO 61 1HG PRO 61 -9.806 -2.234 -5.700 472 HD2 PRO 61 2HD PRO 61 -10.791 -1.271 -3.368 473 HD3 PRO 61 1HD PRO 61 -9.136 -1.888 -3.523 474 HA PRO 62 HA PRO 62 -10.675 4.638 -5.382 475 HB2 PRO 62 2HB PRO 62 -9.276 5.979 -7.283 476 HB3 PRO 62 1HB PRO 62 -8.806 5.955 -5.581 477 HG2 PRO 62 2HG PRO 62 -7.742 4.341 -7.864 478 HG3 PRO 62 1HG PRO 62 -6.858 5.136 -6.548 479 HD2 PRO 62 2HD PRO 62 -7.392 2.483 -6.554 480 HD3 PRO 62 1HD PRO 62 -7.299 3.435 -5.058 481 H GLN 63 H GLN 63 -11.515 5.948 -7.396 482 HA GLN 63 HA GLN 63 -12.097 4.133 -9.620 483 HB2 GLN 63 2HB GLN 63 -13.927 4.617 -7.608 484 HB3 GLN 63 1HB GLN 63 -14.396 5.769 -8.850 485 HG2 GLN 63 2HG GLN 63 -14.682 4.021 -10.456 486 HG3 GLN 63 1HG GLN 63 -14.009 2.829 -9.346 487 HE21 GLN 63 1HE2 GLN 63 -15.240 3.214 -7.045 488 HE22 GLN 63 2HE2 GLN 63 -16.951 3.027 -7.192 489 H ALA 64 H ALA 64 -13.880 5.765 -10.983 490 HA ALA 64 HA ALA 64 -12.206 7.462 -12.403 491 HB1 ALA 64 1HB ALA 64 -15.126 7.036 -12.255 492 HB2 ALA 64 2HB ALA 64 -14.042 7.012 -13.646 493 HB3 ALA 64 3HB ALA 64 -14.584 8.550 -12.979 494 H GLY 65 H GLY 65 -11.076 9.018 -11.364 495 HA2 GLY 65 2HA GLY 65 -11.331 11.454 -10.934 496 HA3 GLY 65 1HA GLY 65 -12.643 11.017 -9.848 497 H MET 66 H MET 66 -11.107 8.655 -8.876 498 HA MET 66 HA MET 66 -9.317 10.128 -7.065 499 HB2 MET 66 2HB MET 66 -10.967 7.642 -6.696 500 HB3 MET 66 1HB MET 66 -9.646 8.033 -5.608 501 HG2 MET 66 2HG MET 66 -11.086 9.227 -4.432 502 HG3 MET 66 1HG MET 66 -11.125 10.373 -5.770 503 HE1 MET 66 3HE MET 66 -13.935 8.841 -3.542 504 HE2 MET 66 1HE MET 66 -12.554 7.766 -3.759 505 HE3 MET 66 2HE MET 66 -14.128 7.321 -4.418 506 H GLU 67 H GLU 67 -9.447 7.654 -9.453 507 HA GLU 67 HA GLU 67 -7.308 6.025 -8.789 508 HB2 GLU 67 2HB GLU 67 -7.109 5.562 -11.194 509 HB3 GLU 67 1HB GLU 67 -8.786 5.552 -10.668 510 HG2 GLU 67 2HG GLU 67 -8.874 7.970 -11.470 511 HG3 GLU 67 1HG GLU 67 -7.348 7.626 -12.283 512 H LYS 68 H LYS 68 -7.281 9.068 -10.614 513 HA LYS 68 HA LYS 68 -4.509 9.125 -11.095 514 HB2 LYS 68 2HB LYS 68 -4.885 11.590 -11.453 515 HB3 LYS 68 1HB LYS 68 -5.909 10.529 -12.410 516 HG2 LYS 68 2HG LYS 68 -7.600 11.790 -11.700 517 HG3 LYS 68 1HG LYS 68 -7.422 10.946 -10.161 518 HD2 LYS 68 2HD LYS 68 -6.520 12.739 -9.134 519 HD3 LYS 68 1HD LYS 68 -5.609 13.228 -10.565 520 HE2 LYS 68 2HE LYS 68 -8.586 13.527 -10.473 521 HE3 LYS 68 1HE LYS 68 -7.542 14.731 -9.719 522 HZ1 LYS 68 3HZ LYS 68 -7.995 14.171 -12.532 523 HZ2 LYS 68 1HZ LYS 68 -6.393 14.509 -12.104 524 HZ3 LYS 68 2HZ LYS 68 -7.614 15.629 -11.766 525 H GLU 69 H GLU 69 -6.303 9.665 -8.239 526 HA GLU 69 HA GLU 69 -4.428 11.435 -6.978 527 HB2 GLU 69 2HB GLU 69 -7.045 10.604 -6.472 528 HB3 GLU 69 1HB GLU 69 -6.108 9.945 -5.139 529 HG2 GLU 69 2HG GLU 69 -5.223 12.582 -5.480 530 HG3 GLU 69 1HG GLU 69 -6.982 12.631 -5.595 531 HA PRO 70 HA PRO 70 -1.607 8.330 -5.569 532 HB2 PRO 70 2HB PRO 70 -0.298 9.701 -3.670 533 HB3 PRO 70 1HB PRO 70 -0.141 10.107 -5.384 534 HG2 PRO 70 2HG PRO 70 -1.805 11.419 -3.273 535 HG3 PRO 70 1HG PRO 70 -0.829 12.163 -4.551 536 HD2 PRO 70 2HD PRO 70 -3.547 11.825 -4.702 537 HD3 PRO 70 1HD PRO 70 -2.482 11.924 -6.118 538 H VAL 71 H VAL 71 -0.856 7.242 -3.558 539 HA VAL 71 HA VAL 71 -3.039 6.300 -2.057 540 HB VAL 71 HB VAL 71 -1.195 5.268 -0.593 541 HG11 VAL 71 1HG1 VAL 71 -2.318 3.956 -2.231 542 HG12 VAL 71 2HG1 VAL 71 -0.590 3.659 -2.415 543 HG13 VAL 71 3HG1 VAL 71 -1.426 4.723 -3.544 544 HG21 VAL 71 3HG2 VAL 71 0.984 5.613 -1.031 545 HG22 VAL 71 1HG2 VAL 71 0.406 7.122 -1.737 546 HG23 VAL 71 2HG2 VAL 71 0.723 5.730 -2.772 547 HA PRO 72 HA PRO 72 -3.210 9.002 1.444 548 HB2 PRO 72 2HB PRO 72 -3.865 7.371 3.460 549 HB3 PRO 72 1HB PRO 72 -4.962 7.626 2.097 550 HG2 PRO 72 2HG PRO 72 -3.041 5.369 2.569 551 HG3 PRO 72 1HG PRO 72 -4.746 5.289 2.094 552 HD2 PRO 72 2HD PRO 72 -2.734 5.082 0.303 553 HD3 PRO 72 1HD PRO 72 -4.292 5.827 -0.103 554 H LEU 73 H LEU 73 -0.638 6.970 1.089 555 HA LEU 73 HA LEU 73 0.509 7.528 3.723 556 HB2 LEU 73 2HB LEU 73 1.939 5.873 1.713 557 HB3 LEU 73 1HB LEU 73 1.842 5.687 3.455 558 HG LEU 73 HG LEU 73 -0.491 5.110 1.638 559 HD11 LEU 73 1HD1 LEU 73 0.085 2.770 1.754 560 HD12 LEU 73 2HD1 LEU 73 1.538 3.148 2.680 561 HD13 LEU 73 3HD1 LEU 73 1.394 3.683 1.007 562 HD21 LEU 73 3HD2 LEU 73 0.041 3.975 4.357 563 HD22 LEU 73 1HD2 LEU 73 -1.486 4.102 3.482 564 HD23 LEU 73 2HD2 LEU 73 -0.733 5.546 4.158 565 H GLN 74 H GLN 74 2.644 8.386 3.917 566 HA GLN 74 HA GLN 74 3.619 9.835 1.553 567 HB2 GLN 74 2HB GLN 74 3.323 10.989 4.330 568 HB3 GLN 74 1HB GLN 74 4.080 11.801 2.968 569 HG2 GLN 74 2HG GLN 74 1.252 10.841 2.803 570 HG3 GLN 74 1HG GLN 74 1.650 12.378 3.570 571 HE21 GLN 74 1HE2 GLN 74 1.172 10.718 0.639 572 HE22 GLN 74 2HE2 GLN 74 1.536 12.023 -0.433 573 H HIS 75 H HIS 75 5.813 10.973 2.280 574 HA HIS 75 HA HIS 75 7.703 8.947 2.564 575 HB2 HIS 75 2HB HIS 75 8.089 11.232 1.586 576 HB3 HIS 75 1HB HIS 75 8.139 11.863 3.229 577 HD1 HIS 75 1HD HIS 75 9.717 8.713 3.467 578 HD2 HIS 75 2HD HIS 75 10.869 12.412 1.965 579 HE1 HIS 75 1HE HIS 75 12.231 8.659 3.402 580 HE2 HIS 75 2HE HIS 75 12.906 10.940 2.573 581 H GLY 76 H GLY 76 7.888 7.681 4.298 582 HA2 GLY 76 2HA GLY 76 8.897 7.454 6.475 583 HA3 GLY 76 1HA GLY 76 8.187 8.998 6.916 584 H ASP 77 H ASP 77 5.978 7.125 5.187 585 HA ASP 77 HA ASP 77 4.471 6.625 7.614 586 HB2 ASP 77 2HB ASP 77 3.878 6.868 4.753 587 HB3 ASP 77 1HB ASP 77 2.975 5.583 5.548 588 H ARG 78 H ARG 78 3.124 4.446 7.439 589 HA ARG 78 HA ARG 78 4.858 2.220 6.669 590 HB2 ARG 78 2HB ARG 78 4.221 1.144 8.930 591 HB3 ARG 78 1HB ARG 78 5.510 2.338 8.909 592 HG2 ARG 78 2HG ARG 78 3.013 3.659 9.330 593 HG3 ARG 78 1HG ARG 78 3.176 2.326 10.475 594 HD2 ARG 78 2HD ARG 78 4.933 3.280 11.546 595 HD3 ARG 78 1HD ARG 78 5.558 4.030 10.077 596 HE ARG 78 HE ARG 78 3.172 5.310 10.739 597 HH11 ARG 78 1HH1 ARG 78 6.386 4.920 12.041 598 HH12 ARG 78 2HH1 ARG 78 6.379 6.451 12.850 599 HH21 ARG 78 1HH2 ARG 78 3.163 7.325 11.799 600 HH22 ARG 78 2HH2 ARG 78 4.548 7.817 12.713 601 H ILE 79 H ILE 79 3.783 0.330 6.178 602 HA ILE 79 HA ILE 79 0.870 0.327 6.461 603 HB ILE 79 HB ILE 79 0.890 -0.634 4.026 604 HG12 ILE 79 2HG1 ILE 79 3.252 1.249 3.931 605 HG13 ILE 79 1HG1 ILE 79 3.372 -0.504 3.824 606 HG21 ILE 79 1HG2 ILE 79 0.197 1.480 3.215 607 HG22 ILE 79 2HG2 ILE 79 1.163 2.329 4.422 608 HG23 ILE 79 3HG2 ILE 79 -0.254 1.406 4.917 609 HD11 ILE 79 3HD1 ILE 79 1.804 1.186 1.896 610 HD12 ILE 79 1HD1 ILE 79 2.199 -0.526 1.752 611 HD13 ILE 79 2HD1 ILE 79 3.476 0.685 1.644 612 H THR 80 H THR 80 -0.093 -1.772 5.847 613 HA THR 80 HA THR 80 1.766 -4.017 6.226 614 HB THR 80 HB THR 80 -0.926 -3.704 7.561 615 HG1 THR 80 1HG THR 80 0.288 -2.608 8.892 616 HG21 THR 80 3HG2 THR 80 0.826 -5.746 8.620 617 HG22 THR 80 1HG2 THR 80 0.367 -6.062 6.947 618 HG23 THR 80 2HG2 THR 80 -0.878 -5.833 8.175 619 H ILE 81 H ILE 81 1.515 -5.610 4.798 620 HA ILE 81 HA ILE 81 -0.805 -5.494 3.010 621 HB ILE 81 HB ILE 81 1.765 -7.010 2.580 622 HG12 ILE 81 2HG1 ILE 81 2.283 -4.646 2.717 623 HG13 ILE 81 1HG1 ILE 81 2.360 -5.156 1.034 624 HG21 ILE 81 1HG2 ILE 81 1.023 -6.999 0.219 625 HG22 ILE 81 2HG2 ILE 81 -0.495 -6.262 0.732 626 HG23 ILE 81 3HG2 ILE 81 -0.068 -7.881 1.287 627 HD11 ILE 81 3HD1 ILE 81 -0.174 -4.324 1.112 628 HD12 ILE 81 1HD1 ILE 81 1.183 -3.259 0.744 629 HD13 ILE 81 2HD1 ILE 81 0.508 -3.296 2.373 630 H GLU 82 H GLU 82 -1.863 -7.432 2.368 631 HA GLU 82 HA GLU 82 -1.431 -9.746 4.121 632 HB2 GLU 82 2HB GLU 82 -3.266 -8.878 5.224 633 HB3 GLU 82 1HB GLU 82 -3.942 -8.167 3.768 634 HG2 GLU 82 2HG GLU 82 -4.681 -10.332 3.001 635 HG3 GLU 82 1HG GLU 82 -3.897 -11.116 4.370 636 H ILE 83 H ILE 83 -1.014 -11.446 2.893 637 HA ILE 83 HA ILE 83 -1.447 -11.516 0.109 638 HB ILE 83 HB ILE 83 -0.873 -13.805 1.995 639 HG12 ILE 83 2HG1 ILE 83 1.383 -13.247 0.458 640 HG13 ILE 83 1HG1 ILE 83 0.759 -11.659 0.889 641 HG21 ILE 83 1HG2 ILE 83 0.142 -14.563 -0.396 642 HG22 ILE 83 2HG2 ILE 83 -1.286 -13.668 -0.914 643 HG23 ILE 83 3HG2 ILE 83 -1.453 -15.029 0.195 644 HD11 ILE 83 3HD1 ILE 83 0.634 -12.856 3.281 645 HD12 ILE 83 1HD1 ILE 83 2.052 -11.982 2.702 646 HD13 ILE 83 2HD1 ILE 83 1.983 -13.740 2.573 647 H LEU 84 H LEU 84 -3.411 -11.534 -0.756 648 HA LEU 84 HA LEU 84 -5.680 -12.697 0.534 649 HB2 LEU 84 2HB LEU 84 -5.398 -11.743 -2.313 650 HB3 LEU 84 1HB LEU 84 -6.903 -12.059 -1.472 651 HG LEU 84 HG LEU 84 -4.931 -9.854 -0.885 652 HD11 LEU 84 1HD1 LEU 84 -7.241 -8.613 -1.273 653 HD12 LEU 84 2HD1 LEU 84 -7.546 -10.037 -2.267 654 HD13 LEU 84 3HD1 LEU 84 -6.152 -9.009 -2.602 655 HD21 LEU 84 3HD2 LEU 84 -5.651 -10.234 1.240 656 HD22 LEU 84 1HD2 LEU 84 -7.156 -10.989 0.715 657 HD23 LEU 84 2HD2 LEU 84 -6.988 -9.234 0.674 658 H LYS 85 H LYS 85 -7.142 -14.176 -0.879 659 HA LYS 85 HA LYS 85 -5.536 -16.522 -1.528 660 HB2 LYS 85 2HB LYS 85 -7.504 -16.602 0.077 661 HB3 LYS 85 1HB LYS 85 -8.542 -16.366 -1.322 662 HG2 LYS 85 2HG LYS 85 -8.597 -18.598 -1.381 663 HG3 LYS 85 1HG LYS 85 -7.017 -18.449 -2.154 664 HD2 LYS 85 2HD LYS 85 -6.980 -18.407 0.787 665 HD3 LYS 85 1HD LYS 85 -7.507 -19.929 0.067 666 HE2 LYS 85 2HE LYS 85 -5.393 -19.531 -1.463 667 HE3 LYS 85 1HE LYS 85 -4.869 -18.560 -0.088 668 HZ1 LYS 85 3HZ LYS 85 -4.044 -20.621 0.435 669 HZ2 LYS 85 1HZ LYS 85 -5.354 -21.456 -0.235 670 HZ3 LYS 85 2HZ LYS 85 -5.526 -20.662 1.249 671 H GLY 86 H GLY 86 -4.806 -16.258 -3.573 672 HA2 GLY 86 2HA GLY 86 -6.697 -15.509 -5.679 673 HA3 GLY 86 1HA GLY 86 -4.950 -15.604 -5.845 Start of MODEL 6 1 H1 LYS 6 H LYS 6 12.183 13.550 -7.933 2 HA LYS 6 HA LYS 6 13.194 12.020 -5.700 3 HB2 LYS 6 2HB LYS 6 12.238 14.813 -6.120 4 HB3 LYS 6 1HB LYS 6 12.212 14.167 -4.485 5 HG2 LYS 6 2HG LYS 6 14.730 13.642 -5.820 6 HG3 LYS 6 1HG LYS 6 14.354 15.364 -5.752 7 HD2 LYS 6 2HD LYS 6 14.663 15.461 -3.529 8 HD3 LYS 6 1HD LYS 6 13.827 13.932 -3.254 9 HE2 LYS 6 2HE LYS 6 15.960 13.372 -2.622 10 HE3 LYS 6 1HE LYS 6 15.991 12.913 -4.325 11 HZ1 LYS 6 3HZ LYS 6 16.840 15.325 -4.636 12 HZ2 LYS 6 1HZ LYS 6 17.913 14.125 -4.116 13 HZ3 LYS 6 2HZ LYS 6 17.255 15.213 -3.001 14 H GLU 7 H GLU 7 11.860 10.333 -5.248 15 HA GLU 7 HA GLU 7 9.007 10.888 -4.839 16 HB2 GLU 7 2HB GLU 7 8.929 8.315 -4.670 17 HB3 GLU 7 1HB GLU 7 9.196 9.037 -6.250 18 HG2 GLU 7 2HG GLU 7 11.564 8.309 -4.615 19 HG3 GLU 7 1HG GLU 7 10.642 7.020 -5.386 20 H LYS 8 H LYS 8 8.148 9.189 -3.041 21 HA LYS 8 HA LYS 8 9.649 9.893 -0.621 22 HB2 LYS 8 2HB LYS 8 7.517 9.467 0.568 23 HB3 LYS 8 1HB LYS 8 7.387 10.743 -0.630 24 HG2 LYS 8 2HG LYS 8 6.705 8.360 -1.942 25 HG3 LYS 8 1HG LYS 8 5.885 8.321 -0.384 26 HD2 LYS 8 2HD LYS 8 5.236 10.772 -0.970 27 HD3 LYS 8 1HD LYS 8 5.614 10.285 -2.624 28 HE2 LYS 8 2HE LYS 8 3.870 8.795 -2.730 29 HE3 LYS 8 1HE LYS 8 3.837 8.546 -0.984 30 HZ1 LYS 8 3HZ LYS 8 3.115 11.045 -1.008 31 HZ2 LYS 8 1HZ LYS 8 1.982 9.815 -1.269 32 HZ3 LYS 8 2HZ LYS 8 2.613 10.677 -2.581 33 H LYS 9 H LYS 9 9.623 8.309 1.150 34 HA LYS 9 HA LYS 9 9.755 5.552 0.120 35 HB2 LYS 9 2HB LYS 9 11.973 6.373 0.685 36 HB3 LYS 9 1HB LYS 9 11.417 6.862 2.280 37 HG2 LYS 9 2HG LYS 9 10.939 4.044 1.697 38 HG3 LYS 9 1HG LYS 9 12.644 4.496 1.670 39 HD2 LYS 9 2HD LYS 9 11.292 5.695 3.922 40 HD3 LYS 9 1HD LYS 9 11.071 3.944 3.914 41 HE2 LYS 9 2HE LYS 9 13.721 4.173 3.316 42 HE3 LYS 9 1HE LYS 9 13.480 5.542 4.399 43 HZ1 LYS 9 3HZ LYS 9 13.908 3.922 5.909 44 HZ2 LYS 9 1HZ LYS 9 13.280 2.678 4.948 45 HZ3 LYS 9 2HZ LYS 9 12.235 3.707 5.790 46 H ILE 10 H ILE 10 8.633 4.011 1.161 47 HA ILE 10 HA ILE 10 7.464 4.663 3.773 48 HB ILE 10 HB ILE 10 5.679 3.083 2.076 49 HG12 ILE 10 2HG1 ILE 10 6.513 5.854 1.258 50 HG13 ILE 10 1HG1 ILE 10 6.265 4.435 0.250 51 HG21 ILE 10 1HG2 ILE 10 5.336 5.551 3.772 52 HG22 ILE 10 2HG2 ILE 10 5.037 3.885 4.262 53 HG23 ILE 10 3HG2 ILE 10 4.019 4.637 3.035 54 HD11 ILE 10 3HD1 ILE 10 4.526 6.044 -0.148 55 HD12 ILE 10 1HD1 ILE 10 4.133 6.095 1.570 56 HD13 ILE 10 2HD1 ILE 10 3.840 4.624 0.643 57 H ARG 11 H ARG 11 6.593 2.730 4.899 58 HA ARG 11 HA ARG 11 8.374 0.452 4.419 59 HB2 ARG 11 2HB ARG 11 8.419 1.520 6.650 60 HB3 ARG 11 1HB ARG 11 6.718 1.124 6.858 61 HG2 ARG 11 2HG ARG 11 7.287 -1.268 6.692 62 HG3 ARG 11 1HG ARG 11 8.992 -0.830 6.575 63 HD2 ARG 11 2HD ARG 11 7.223 -0.041 8.882 64 HD3 ARG 11 1HD ARG 11 8.203 -1.504 8.865 65 HE ARG 11 HE ARG 11 10.107 -0.220 9.122 66 HH11 ARG 11 1HH1 ARG 11 7.332 1.844 8.617 67 HH12 ARG 11 2HH1 ARG 11 8.171 3.287 9.074 68 HH21 ARG 11 1HH2 ARG 11 11.204 1.680 9.722 69 HH22 ARG 11 2HH2 ARG 11 10.367 3.196 9.700 70 H ILE 12 H ILE 12 7.555 -1.720 4.658 71 HA ILE 12 HA ILE 12 4.670 -2.024 4.249 72 HB ILE 12 HB ILE 12 6.734 -3.399 2.528 73 HG12 ILE 12 2HG1 ILE 12 4.669 -1.500 1.473 74 HG13 ILE 12 1HG1 ILE 12 6.166 -0.863 2.145 75 HG21 ILE 12 1HG2 ILE 12 4.813 -4.285 1.320 76 HG22 ILE 12 2HG2 ILE 12 3.724 -3.460 2.433 77 HG23 ILE 12 3HG2 ILE 12 4.765 -4.758 3.018 78 HD11 ILE 12 3HD1 ILE 12 7.455 -2.147 0.533 79 HD12 ILE 12 1HD1 ILE 12 6.283 -1.111 -0.282 80 HD13 ILE 12 2HD1 ILE 12 5.971 -2.839 -0.120 81 H THR 13 H THR 13 3.820 -3.983 4.956 82 HA THR 13 HA THR 13 5.614 -6.023 5.967 83 HB THR 13 HB THR 13 3.596 -4.999 7.917 84 HG1 THR 13 1HG THR 13 4.839 -3.386 8.529 85 HG21 THR 13 3HG2 THR 13 5.812 -6.847 7.915 86 HG22 THR 13 1HG2 THR 13 4.491 -6.659 9.066 87 HG23 THR 13 2HG2 THR 13 5.933 -5.652 9.207 88 H THR 14 H THR 14 4.801 -7.889 5.281 89 HA THR 14 HA THR 14 1.957 -8.084 4.716 90 HB THR 14 HB THR 14 2.418 -9.824 3.313 91 HG1 THR 14 1HG THR 14 3.353 -11.462 4.188 92 HG21 THR 14 3HG2 THR 14 3.882 -7.861 2.706 93 HG22 THR 14 1HG2 THR 14 4.335 -9.428 2.036 94 HG23 THR 14 2HG2 THR 14 5.216 -8.770 3.416 95 H ASN 15 H ASN 15 0.555 -9.429 5.634 96 HA ASN 15 HA ASN 15 0.663 -10.009 8.313 97 HB2 ASN 15 2HB ASN 15 -1.218 -11.617 7.846 98 HB3 ASN 15 1HB ASN 15 -1.441 -10.005 7.171 99 HD21 ASN 15 1HD2 ASN 15 -2.929 -11.993 6.178 100 HD22 ASN 15 2HD2 ASN 15 -2.398 -12.430 4.593 101 H ASP 16 H ASP 16 1.933 -11.891 5.663 102 HA ASP 16 HA ASP 16 2.115 -14.391 6.897 103 HB2 ASP 16 2HB ASP 16 2.853 -13.380 4.461 104 HB3 ASP 16 1HB ASP 16 4.417 -13.688 5.208 105 H GLY 17 H GLY 17 3.844 -11.473 7.475 106 HA2 GLY 17 2HA GLY 17 4.965 -11.288 9.628 107 HA3 GLY 17 1HA GLY 17 5.566 -12.922 9.384 108 H ARG 18 H ARG 18 5.513 -10.551 6.805 109 HA ARG 18 HA ARG 18 8.426 -10.223 7.120 110 HB2 ARG 18 2HB ARG 18 8.882 -10.744 4.900 111 HB3 ARG 18 1HB ARG 18 7.661 -11.929 5.333 112 HG2 ARG 18 2HG ARG 18 5.958 -10.459 4.278 113 HG3 ARG 18 1HG ARG 18 7.270 -9.422 3.722 114 HD2 ARG 18 2HD ARG 18 6.641 -10.943 1.955 115 HD3 ARG 18 1HD ARG 18 8.251 -11.345 2.543 116 HE ARG 18 HE ARG 18 7.431 -13.332 3.397 117 HH11 ARG 18 1HH1 ARG 18 4.796 -11.355 2.240 118 HH12 ARG 18 2HH1 ARG 18 3.664 -12.664 2.212 119 HH21 ARG 18 1HH2 ARG 18 5.943 -15.052 3.356 120 HH22 ARG 18 2HH2 ARG 18 4.316 -14.762 2.835 121 H GLN 19 H GLN 19 9.320 -8.317 6.062 122 HA GLN 19 HA GLN 19 7.408 -6.274 5.261 123 HB2 GLN 19 2HB GLN 19 8.640 -4.651 6.863 124 HB3 GLN 19 1HB GLN 19 7.379 -5.690 7.504 125 HG2 GLN 19 2HG GLN 19 8.866 -6.212 9.073 126 HG3 GLN 19 1HG GLN 19 9.601 -7.234 7.841 127 HE21 GLN 19 1HE2 GLN 19 9.593 -3.822 8.825 128 HE22 GLN 19 2HE2 GLN 19 11.299 -3.596 8.667 129 H SER 20 H SER 20 8.395 -4.371 4.359 130 HA SER 20 HA SER 20 11.196 -4.268 3.823 131 HB2 SER 20 2HB SER 20 9.327 -5.082 1.587 132 HB3 SER 20 1HB SER 20 10.962 -4.480 1.331 133 HG SER 20 HG SER 20 10.110 -6.947 2.162 134 H MET 21 H MET 21 11.722 -2.408 2.372 135 HA MET 21 HA MET 21 9.662 -0.325 2.645 136 HB2 MET 21 2HB MET 21 11.351 1.287 2.952 137 HB3 MET 21 1HB MET 21 11.856 -0.086 3.923 138 HG2 MET 21 2HG MET 21 12.878 0.266 1.133 139 HG3 MET 21 1HG MET 21 13.592 1.148 2.479 140 HE1 MET 21 3HE MET 21 14.817 -2.429 0.734 141 HE2 MET 21 1HE MET 21 13.302 -1.595 0.388 142 HE3 MET 21 2HE MET 21 13.298 -3.066 1.362 143 H VAL 22 H VAL 22 9.515 1.292 1.017 144 HA VAL 22 HA VAL 22 10.594 0.523 -1.599 145 HB VAL 22 HB VAL 22 8.325 1.133 -2.567 146 HG11 VAL 22 1HG1 VAL 22 9.132 -1.142 -2.569 147 HG12 VAL 22 2HG1 VAL 22 7.412 -1.126 -2.182 148 HG13 VAL 22 3HG1 VAL 22 8.601 -1.361 -0.901 149 HG21 VAL 22 3HG2 VAL 22 7.494 0.678 0.290 150 HG22 VAL 22 1HG2 VAL 22 6.394 0.792 -1.084 151 HG23 VAL 22 2HG2 VAL 22 7.365 2.187 -0.613 152 H THR 23 H THR 23 10.035 2.281 -3.257 153 HA THR 23 HA THR 23 10.389 4.918 -1.989 154 HB THR 23 HB THR 23 12.362 4.010 -3.264 155 HG1 THR 23 1HG THR 23 12.012 6.269 -2.999 156 HG21 THR 23 3HG2 THR 23 12.241 3.314 -5.360 157 HG22 THR 23 1HG2 THR 23 11.372 4.766 -5.858 158 HG23 THR 23 2HG2 THR 23 10.485 3.387 -5.208 159 H LEU 24 H LEU 24 7.844 4.052 -2.320 160 HA LEU 24 HA LEU 24 6.420 4.321 -4.586 161 HB2 LEU 24 2HB LEU 24 5.843 4.427 -1.878 162 HB3 LEU 24 1HB LEU 24 5.208 5.942 -2.491 163 HG LEU 24 HG LEU 24 3.847 4.717 -4.127 164 HD11 LEU 24 1HD1 LEU 24 5.614 2.687 -3.831 165 HD12 LEU 24 2HD1 LEU 24 4.008 2.515 -4.538 166 HD13 LEU 24 3HD1 LEU 24 4.273 2.112 -2.842 167 HD21 LEU 24 3HD2 LEU 24 3.409 3.556 -1.387 168 HD22 LEU 24 1HD2 LEU 24 2.204 3.943 -2.615 169 HD23 LEU 24 2HD2 LEU 24 3.062 5.240 -1.783 170 H LYS 25 H LYS 25 5.937 5.827 -6.066 171 HA LYS 25 HA LYS 25 7.353 8.296 -6.070 172 HB2 LYS 25 2HB LYS 25 5.850 6.716 -7.941 173 HB3 LYS 25 1HB LYS 25 5.333 8.393 -8.039 174 HG2 LYS 25 2HG LYS 25 8.217 7.558 -8.153 175 HG3 LYS 25 1HG LYS 25 7.198 7.713 -9.585 176 HD2 LYS 25 2HD LYS 25 7.875 9.890 -7.608 177 HD3 LYS 25 1HD LYS 25 8.478 9.744 -9.260 178 HE2 LYS 25 2HE LYS 25 5.718 9.648 -9.529 179 HE3 LYS 25 1HE LYS 25 5.987 10.863 -8.280 180 HZ1 LYS 25 3HZ LYS 25 7.706 11.044 -10.614 181 HZ2 LYS 25 1HZ LYS 25 6.941 12.270 -9.734 182 HZ3 LYS 25 2HZ LYS 25 6.072 11.386 -10.884 183 H SER 26 H SER 26 6.402 10.425 -6.263 184 HA SER 26 HA SER 26 4.611 11.015 -4.192 185 HB2 SER 26 2HB SER 26 5.886 12.538 -6.399 186 HB3 SER 26 1HB SER 26 4.454 13.260 -5.665 187 HG SER 26 HG SER 26 6.886 13.347 -4.743 188 H SER 27 H SER 27 4.105 10.721 -7.682 189 HA SER 27 HA SER 27 1.226 11.111 -7.281 190 HB2 SER 27 2HB SER 27 2.704 10.924 -9.912 191 HB3 SER 27 1HB SER 27 1.064 11.514 -9.642 192 HG SER 27 HG SER 27 3.492 12.713 -8.802 193 H THR 28 H THR 28 2.332 8.709 -6.342 194 HA THR 28 HA THR 28 1.622 6.708 -8.350 195 HB THR 28 HB THR 28 3.200 6.687 -5.821 196 HG1 THR 28 1HG THR 28 4.467 5.276 -7.230 197 HG21 THR 28 3HG2 THR 28 3.179 4.073 -6.219 198 HG22 THR 28 1HG2 THR 28 1.523 4.416 -6.714 199 HG23 THR 28 2HG2 THR 28 2.070 4.861 -5.098 200 H THR 29 H THR 29 -0.460 6.218 -8.464 201 HA THR 29 HA THR 29 -2.215 6.517 -6.192 202 HB THR 29 HB THR 29 -3.131 7.146 -8.300 203 HG1 THR 29 1HG THR 29 -4.287 4.607 -7.932 204 HG21 THR 29 3HG2 THR 29 -1.693 4.906 -9.327 205 HG22 THR 29 1HG2 THR 29 -2.480 6.224 -10.194 206 HG23 THR 29 2HG2 THR 29 -3.394 4.777 -9.773 207 H PHE 30 H PHE 30 -3.893 4.605 -5.962 208 HA PHE 30 HA PHE 30 -2.731 2.547 -4.605 209 HB2 PHE 30 2HB PHE 30 -5.155 3.044 -4.594 210 HB3 PHE 30 1HB PHE 30 -5.291 2.326 -6.198 211 HD1 PHE 30 2HD PHE 30 -4.123 1.508 -2.758 212 HD2 PHE 30 1HD PHE 30 -5.834 0.094 -6.388 213 HE1 PHE 30 2HE PHE 30 -4.457 -0.705 -1.734 214 HE2 PHE 30 1HE PHE 30 -6.171 -2.121 -5.372 215 HZ PHE 30 HZ PHE 30 -5.482 -2.522 -3.041 216 H PHE 31 H PHE 31 -3.556 2.571 -8.052 217 HA PHE 31 HA PHE 31 -2.872 -0.079 -8.629 218 HB2 PHE 31 2HB PHE 31 -2.601 2.314 -10.457 219 HB3 PHE 31 1HB PHE 31 -2.720 0.629 -10.954 220 HD1 PHE 31 1HD PHE 31 -4.877 -0.541 -9.675 221 HD2 PHE 31 2HD PHE 31 -4.496 3.522 -10.880 222 HE1 PHE 31 1HE PHE 31 -7.328 -0.345 -9.773 223 HE2 PHE 31 2HE PHE 31 -6.947 3.727 -10.980 224 HZ PHE 31 HZ PHE 31 -8.365 1.791 -10.425 225 H GLU 32 H GLU 32 -0.912 2.878 -8.983 226 HA GLU 32 HA GLU 32 1.450 1.626 -9.803 227 HB2 GLU 32 2HB GLU 32 0.770 4.254 -8.575 228 HB3 GLU 32 1HB GLU 32 2.460 3.768 -8.586 229 HG2 GLU 32 2HG GLU 32 1.265 3.337 -11.166 230 HG3 GLU 32 1HG GLU 32 1.029 5.002 -10.636 231 H LEU 33 H LEU 33 0.074 2.118 -6.628 232 HA LEU 33 HA LEU 33 2.422 1.421 -5.162 233 HB2 LEU 33 2HB LEU 33 0.821 2.729 -4.021 234 HB3 LEU 33 1HB LEU 33 -0.491 1.651 -4.454 235 HG LEU 33 HG LEU 33 0.316 -0.033 -2.912 236 HD11 LEU 33 1HD1 LEU 33 2.461 1.838 -1.980 237 HD12 LEU 33 2HD1 LEU 33 2.759 0.675 -3.272 238 HD13 LEU 33 3HD1 LEU 33 2.279 0.110 -1.672 239 HD21 LEU 33 3HD2 LEU 33 -0.020 1.157 -0.806 240 HD22 LEU 33 1HD2 LEU 33 -1.165 1.696 -2.035 241 HD23 LEU 33 2HD2 LEU 33 0.232 2.696 -1.631 242 H GLN 34 H GLN 34 -0.522 -0.335 -6.097 243 HA GLN 34 HA GLN 34 0.014 -2.754 -4.834 244 HB2 GLN 34 2HB GLN 34 -1.443 -2.182 -7.416 245 HB3 GLN 34 1HB GLN 34 -1.420 -3.762 -6.646 246 HG2 GLN 34 2HG GLN 34 -2.209 -1.579 -4.869 247 HG3 GLN 34 1HG GLN 34 -3.294 -1.834 -6.235 248 HE21 GLN 34 1HE2 GLN 34 -1.409 -3.967 -4.113 249 HE22 GLN 34 2HE2 GLN 34 -2.735 -4.986 -3.674 250 H GLU 35 H GLU 35 1.377 -1.372 -7.713 251 HA GLU 35 HA GLU 35 2.566 -3.850 -8.608 252 HB2 GLU 35 2HB GLU 35 1.843 -2.115 -10.212 253 HB3 GLU 35 1HB GLU 35 3.042 -1.015 -9.545 254 HG2 GLU 35 2HG GLU 35 4.636 -1.859 -10.825 255 HG3 GLU 35 1HG GLU 35 4.268 -3.503 -10.301 256 H SER 36 H SER 36 3.418 -1.196 -6.560 257 HA SER 36 HA SER 36 6.248 -1.521 -6.700 258 HB2 SER 36 2HB SER 36 4.552 -0.231 -4.546 259 HB3 SER 36 1HB SER 36 6.299 -0.060 -4.720 260 HG SER 36 HG SER 36 5.588 1.658 -5.793 261 H ILE 37 H ILE 37 3.818 -2.446 -4.261 262 HA ILE 37 HA ILE 37 5.551 -3.808 -2.541 263 HB ILE 37 HB ILE 37 2.659 -4.514 -3.038 264 HG12 ILE 37 2HG1 ILE 37 3.123 -2.818 -0.744 265 HG13 ILE 37 1HG1 ILE 37 3.703 -2.038 -2.211 266 HG21 ILE 37 1HG2 ILE 37 2.654 -5.557 -0.971 267 HG22 ILE 37 2HG2 ILE 37 4.093 -4.699 -0.422 268 HG23 ILE 37 3HG2 ILE 37 4.238 -5.989 -1.614 269 HD11 ILE 37 3HD1 ILE 37 1.639 -1.523 -2.803 270 HD12 ILE 37 1HD1 ILE 37 1.081 -2.166 -1.260 271 HD13 ILE 37 2HD1 ILE 37 1.133 -3.208 -2.681 272 H ALA 38 H ALA 38 3.832 -4.875 -5.420 273 HA ALA 38 HA ALA 38 4.266 -7.627 -5.199 274 HB1 ALA 38 1HB ALA 38 3.604 -5.757 -7.383 275 HB2 ALA 38 2HB ALA 38 2.825 -7.263 -6.899 276 HB3 ALA 38 3HB ALA 38 4.299 -7.304 -7.867 277 H ARG 39 H ARG 39 6.477 -5.077 -5.790 278 HA ARG 39 HA ARG 39 8.455 -6.816 -7.040 279 HB2 ARG 39 2HB ARG 39 9.002 -4.000 -6.170 280 HB3 ARG 39 1HB ARG 39 9.693 -4.897 -7.513 281 HG2 ARG 39 2HG ARG 39 7.156 -4.826 -8.329 282 HG3 ARG 39 1HG ARG 39 7.179 -3.358 -7.350 283 HD2 ARG 39 2HD ARG 39 9.346 -2.808 -8.632 284 HD3 ARG 39 1HD ARG 39 8.805 -4.038 -9.773 285 HE ARG 39 HE ARG 39 7.153 -2.610 -10.499 286 HH11 ARG 39 1HH1 ARG 39 8.598 -1.327 -7.591 287 HH12 ARG 39 2HH1 ARG 39 7.836 0.220 -7.747 288 HH21 ARG 39 1HH2 ARG 39 6.154 -0.575 -10.704 289 HH22 ARG 39 2HH2 ARG 39 6.449 0.646 -9.513 290 H GLU 40 H GLU 40 8.232 -4.717 -4.183 291 HA GLU 40 HA GLU 40 10.595 -5.569 -2.955 292 HB2 GLU 40 2HB GLU 40 8.381 -3.869 -2.316 293 HB3 GLU 40 1HB GLU 40 8.744 -4.882 -0.925 294 HG2 GLU 40 2HG GLU 40 9.950 -2.794 -0.799 295 HG3 GLU 40 1HG GLU 40 11.070 -4.141 -0.993 296 H PHE 41 H PHE 41 7.463 -7.037 -3.134 297 HA PHE 41 HA PHE 41 8.399 -9.168 -1.333 298 HB2 PHE 41 2HB PHE 41 5.557 -8.191 -1.677 299 HB3 PHE 41 1HB PHE 41 6.067 -9.527 -0.647 300 HD1 PHE 41 1HD PHE 41 6.739 -5.903 -1.200 301 HD2 PHE 41 2HD PHE 41 6.494 -9.118 1.573 302 HE1 PHE 41 1HE PHE 41 7.127 -4.331 0.653 303 HE2 PHE 41 2HE PHE 41 6.878 -7.553 3.431 304 HZ PHE 41 HZ PHE 41 7.197 -5.160 2.974 305 H ASN 42 H ASN 42 6.630 -11.112 -1.721 306 HA ASN 42 HA ASN 42 6.849 -11.681 -4.601 307 HB2 ASN 42 2HB ASN 42 7.200 -13.371 -2.166 308 HB3 ASN 42 1HB ASN 42 6.585 -14.135 -3.629 309 HD21 ASN 42 1HD2 ASN 42 9.158 -11.927 -2.587 310 HD22 ASN 42 2HD2 ASN 42 10.382 -12.599 -3.606 311 H ILE 43 H ILE 43 4.637 -10.238 -3.712 312 HA ILE 43 HA ILE 43 2.501 -12.225 -4.081 313 HB ILE 43 HB ILE 43 2.242 -9.712 -2.429 314 HG12 ILE 43 2HG1 ILE 43 1.828 -11.865 -0.752 315 HG13 ILE 43 1HG1 ILE 43 3.167 -12.410 -1.757 316 HG21 ILE 43 1HG2 ILE 43 0.208 -10.614 -3.632 317 HG22 ILE 43 2HG2 ILE 43 0.064 -10.453 -1.882 318 HG23 ILE 43 3HG2 ILE 43 0.343 -12.038 -2.602 319 HD11 ILE 43 3HD1 ILE 43 3.713 -9.752 -0.985 320 HD12 ILE 43 1HD1 ILE 43 4.553 -11.229 -0.516 321 HD13 ILE 43 2HD1 ILE 43 3.202 -10.637 0.452 322 HA PRO 44 HA PRO 44 1.559 -9.724 -7.622 323 HB2 PRO 44 2HB PRO 44 -0.884 -10.756 -8.190 324 HB3 PRO 44 1HB PRO 44 0.622 -11.615 -8.528 325 HG2 PRO 44 2HG PRO 44 -1.276 -11.946 -6.239 326 HG3 PRO 44 1HG PRO 44 -0.439 -13.188 -7.187 327 HD2 PRO 44 2HD PRO 44 0.408 -12.384 -4.732 328 HD3 PRO 44 1HD PRO 44 1.517 -12.956 -5.991 329 HA PRO 45 HA PRO 45 -0.952 -6.334 -6.365 330 HB2 PRO 45 2HB PRO 45 -2.288 -5.688 -8.661 331 HB3 PRO 45 1HB PRO 45 -0.587 -5.306 -8.374 332 HG2 PRO 45 2HG PRO 45 -1.787 -7.571 -9.920 333 HG3 PRO 45 1HG PRO 45 -0.394 -6.551 -10.326 334 HD2 PRO 45 2HD PRO 45 -0.100 -9.032 -9.320 335 HD3 PRO 45 1HD PRO 45 1.030 -7.720 -8.928 336 H TYR 46 H TYR 46 -2.517 -9.101 -7.788 337 HA TYR 46 HA TYR 46 -5.145 -8.195 -6.902 338 HB2 TYR 46 2HB TYR 46 -6.058 -10.047 -8.120 339 HB3 TYR 46 1HB TYR 46 -4.849 -9.277 -9.139 340 HD1 TYR 46 2HD TYR 46 -2.667 -10.382 -9.519 341 HD2 TYR 46 1HD TYR 46 -5.795 -12.299 -7.366 342 HE1 TYR 46 2HE TYR 46 -1.538 -12.546 -9.818 343 HE2 TYR 46 1HE TYR 46 -4.675 -14.468 -7.658 344 HH TYR 46 HH TYR 46 -2.739 -15.279 -9.715 345 H LEU 47 H LEU 47 -2.712 -9.325 -5.238 346 HA LEU 47 HA LEU 47 -4.434 -10.886 -3.455 347 HB2 LEU 47 2HB LEU 47 -1.658 -11.694 -4.317 348 HB3 LEU 47 1HB LEU 47 -2.543 -12.438 -3.001 349 HG LEU 47 HG LEU 47 -3.463 -12.429 -5.874 350 HD11 LEU 47 1HD1 LEU 47 -1.316 -13.779 -5.025 351 HD12 LEU 47 2HD1 LEU 47 -2.436 -14.410 -6.232 352 HD13 LEU 47 3HD1 LEU 47 -2.577 -14.915 -4.548 353 HD21 LEU 47 3HD2 LEU 47 -4.427 -14.206 -3.659 354 HD22 LEU 47 1HD2 LEU 47 -5.187 -13.854 -5.210 355 HD23 LEU 47 2HD2 LEU 47 -5.150 -12.624 -3.949 356 H GLN 48 H GLN 48 -2.796 -8.167 -3.720 357 HA GLN 48 HA GLN 48 -1.568 -8.331 -1.054 358 HB2 GLN 48 2HB GLN 48 -1.047 -6.506 -3.393 359 HB3 GLN 48 1HB GLN 48 -0.448 -6.154 -1.778 360 HG2 GLN 48 2HG GLN 48 0.815 -8.224 -1.769 361 HG3 GLN 48 1HG GLN 48 0.180 -8.635 -3.359 362 HE21 GLN 48 1HE2 GLN 48 0.382 -6.294 -4.711 363 HE22 GLN 48 2HE2 GLN 48 2.038 -5.826 -4.852 364 H CYS 49 H CYS 49 -2.872 -7.641 0.491 365 HA CYS 49 HA CYS 49 -4.699 -5.407 -0.072 366 HB2 CYS 49 2HB CYS 49 -5.857 -7.382 0.713 367 HB3 CYS 49 1HB CYS 49 -4.763 -7.531 2.081 368 HG CYS 49 HG CYS 49 -7.092 -6.426 2.752 369 H ILE 50 H ILE 50 -3.682 -3.559 0.386 370 HA ILE 50 HA ILE 50 -1.727 -3.358 2.482 371 HB ILE 50 HB ILE 50 -2.949 -1.116 0.877 372 HG12 ILE 50 2HG1 ILE 50 -0.271 -2.137 0.170 373 HG13 ILE 50 1HG1 ILE 50 -1.606 -3.221 -0.207 374 HG21 ILE 50 1HG2 ILE 50 -1.796 -0.302 2.812 375 HG22 ILE 50 2HG2 ILE 50 -0.789 0.006 1.397 376 HG23 ILE 50 3HG2 ILE 50 -0.406 -1.334 2.478 377 HD11 ILE 50 3HD1 ILE 50 -1.873 -0.386 -1.018 378 HD12 ILE 50 1HD1 ILE 50 -2.441 -1.855 -1.812 379 HD13 ILE 50 2HD1 ILE 50 -0.740 -1.401 -1.912 380 H ARG 51 H ARG 51 -1.809 -1.986 4.283 381 HA ARG 51 HA ARG 51 -4.408 -0.960 5.113 382 HB2 ARG 51 2HB ARG 51 -2.777 -2.723 6.938 383 HB3 ARG 51 1HB ARG 51 -4.396 -2.093 7.216 384 HG2 ARG 51 2HG ARG 51 -5.214 -3.461 5.331 385 HG3 ARG 51 1HG ARG 51 -3.597 -4.148 5.169 386 HD2 ARG 51 2HD ARG 51 -4.573 -4.288 7.895 387 HD3 ARG 51 1HD ARG 51 -5.654 -5.095 6.761 388 HE ARG 51 HE ARG 51 -2.920 -5.811 6.351 389 HH11 ARG 51 1HH1 ARG 51 -5.738 -6.463 8.305 390 HH12 ARG 51 2HH1 ARG 51 -5.242 -8.071 8.708 391 HH21 ARG 51 1HH2 ARG 51 -2.265 -7.928 6.882 392 HH22 ARG 51 2HH2 ARG 51 -3.270 -8.904 7.901 393 H TYR 52 H TYR 52 -4.287 0.746 6.595 394 HA TYR 52 HA TYR 52 -1.658 1.540 7.573 395 HB2 TYR 52 2HB TYR 52 -1.775 3.769 6.625 396 HB3 TYR 52 1HB TYR 52 -1.873 2.578 5.333 397 HD1 TYR 52 2HD TYR 52 -4.285 1.946 4.552 398 HD2 TYR 52 1HD TYR 52 -3.335 5.483 6.717 399 HE1 TYR 52 2HE TYR 52 -6.359 2.990 3.743 400 HE2 TYR 52 1HE TYR 52 -5.406 6.537 5.915 401 HH TYR 52 HH TYR 52 -7.015 5.804 3.466 402 H GLY 53 H GLY 53 -1.806 3.486 9.010 403 HA2 GLY 53 2HA GLY 53 -2.705 4.561 10.825 404 HA3 GLY 53 1HA GLY 53 -4.264 4.408 10.030 405 H PHE 54 H PHE 54 -4.009 4.269 12.776 406 HA PHE 54 HA PHE 54 -4.434 1.410 13.345 407 HB2 PHE 54 2HB PHE 54 -2.570 2.639 14.574 408 HB3 PHE 54 1HB PHE 54 -3.839 3.545 15.392 409 HD1 PHE 54 1HD PHE 54 -3.293 -0.050 14.533 410 HD2 PHE 54 2HD PHE 54 -4.181 2.831 17.536 411 HE1 PHE 54 1HE PHE 54 -3.499 -1.852 16.194 412 HE2 PHE 54 2HE PHE 54 -4.389 1.033 19.204 413 HZ PHE 54 HZ PHE 54 -4.047 -1.312 18.533 414 HA PRO 55 HA PRO 55 -5.709 -0.057 14.141 415 HB2 PRO 55 2HB PRO 55 -7.931 -1.179 13.048 416 HB3 PRO 55 1HB PRO 55 -7.737 -0.919 14.785 417 HG2 PRO 55 2HG PRO 55 -9.218 0.735 12.776 418 HG3 PRO 55 1HG PRO 55 -9.710 0.255 14.410 419 HD2 PRO 55 2HD PRO 55 -8.723 2.706 13.870 420 HD3 PRO 55 1HD PRO 55 -8.423 1.886 15.415 421 HA PRO 56 HA PRO 56 -4.518 -0.296 9.909 422 HB2 PRO 56 2HB PRO 56 -4.891 -2.930 9.274 423 HB3 PRO 56 1HB PRO 56 -3.542 -2.337 10.247 424 HG2 PRO 56 2HG PRO 56 -6.102 -3.604 11.125 425 HG3 PRO 56 1HG PRO 56 -4.459 -3.849 11.746 426 HD2 PRO 56 2HD PRO 56 -6.267 -2.289 13.009 427 HD3 PRO 56 1HD PRO 56 -4.530 -1.939 13.041 428 H LYS 57 H LYS 57 -5.532 0.431 8.202 429 HA LYS 57 HA LYS 57 -8.350 -0.132 7.789 430 HB2 LYS 57 2HB LYS 57 -6.444 1.727 6.357 431 HB3 LYS 57 1HB LYS 57 -8.161 1.593 6.002 432 HG2 LYS 57 2HG LYS 57 -7.539 2.103 8.820 433 HG3 LYS 57 1HG LYS 57 -7.056 3.388 7.711 434 HD2 LYS 57 2HD LYS 57 -9.668 2.476 6.999 435 HD3 LYS 57 1HD LYS 57 -9.634 2.828 8.727 436 HE2 LYS 57 2HE LYS 57 -8.273 4.955 7.649 437 HE3 LYS 57 1HE LYS 57 -9.515 4.637 6.438 438 HZ1 LYS 57 3HZ LYS 57 -9.781 5.637 9.148 439 HZ2 LYS 57 1HZ LYS 57 -10.950 4.507 8.676 440 HZ3 LYS 57 2HZ LYS 57 -10.740 5.930 7.785 441 H GLU 58 H GLU 58 -8.956 -0.262 5.329 442 HA GLU 58 HA GLU 58 -7.294 -2.376 4.131 443 HB2 GLU 58 2HB GLU 58 -9.546 -3.108 4.943 444 HB3 GLU 58 1HB GLU 58 -10.274 -1.993 3.793 445 HG2 GLU 58 2HG GLU 58 -9.332 -3.210 1.943 446 HG3 GLU 58 1HG GLU 58 -8.451 -4.266 3.046 447 H LEU 59 H LEU 59 -6.166 -0.440 3.231 448 HA LEU 59 HA LEU 59 -7.128 1.454 1.542 449 HB2 LEU 59 2HB LEU 59 -4.715 0.962 2.277 450 HB3 LEU 59 1HB LEU 59 -4.633 -0.075 0.866 451 HG LEU 59 HG LEU 59 -4.987 1.793 -0.613 452 HD11 LEU 59 1HD1 LEU 59 -5.122 4.108 0.350 453 HD12 LEU 59 2HD1 LEU 59 -5.440 3.359 1.915 454 HD13 LEU 59 3HD1 LEU 59 -6.560 3.112 0.577 455 HD21 LEU 59 3HD2 LEU 59 -2.702 1.352 0.318 456 HD22 LEU 59 1HD2 LEU 59 -2.993 2.653 1.472 457 HD23 LEU 59 2HD2 LEU 59 -2.966 2.999 -0.256 458 H MET 60 H MET 60 -8.917 0.659 0.413 459 HA MET 60 HA MET 60 -8.557 -1.425 -1.566 460 HB2 MET 60 2HB MET 60 -10.925 -1.095 -2.053 461 HB3 MET 60 1HB MET 60 -10.672 -1.258 -0.322 462 HG2 MET 60 2HG MET 60 -10.663 1.290 -0.257 463 HG3 MET 60 1HG MET 60 -11.321 1.210 -1.889 464 HE1 MET 60 3HE MET 60 -13.179 -0.214 -2.531 465 HE2 MET 60 1HE MET 60 -14.278 1.092 -2.089 466 HE3 MET 60 2HE MET 60 -14.612 -0.557 -1.561 467 HA PRO 61 HA PRO 61 -7.738 1.038 -5.112 468 HB2 PRO 61 2HB PRO 61 -10.055 -0.002 -6.586 469 HB3 PRO 61 1HB PRO 61 -8.335 -0.199 -6.922 470 HG2 PRO 61 2HG PRO 61 -9.860 -2.231 -6.020 471 HG3 PRO 61 1HG PRO 61 -8.149 -2.065 -5.589 472 HD2 PRO 61 2HD PRO 61 -10.584 -1.425 -3.977 473 HD3 PRO 61 1HD PRO 61 -9.040 -2.135 -3.458 474 HA PRO 62 HA PRO 62 -10.417 4.554 -4.903 475 HB2 PRO 62 2HB PRO 62 -9.299 6.063 -6.826 476 HB3 PRO 62 1HB PRO 62 -8.499 5.766 -5.281 477 HG2 PRO 62 2HG PRO 62 -8.030 4.487 -7.940 478 HG3 PRO 62 1HG PRO 62 -6.851 4.999 -6.721 479 HD2 PRO 62 2HD PRO 62 -7.678 2.408 -7.052 480 HD3 PRO 62 1HD PRO 62 -7.074 3.064 -5.521 481 H GLN 63 H GLN 63 -11.317 6.176 -6.764 482 HA GLN 63 HA GLN 63 -12.480 4.592 -8.928 483 HB2 GLN 63 2HB GLN 63 -13.893 5.471 -6.581 484 HB3 GLN 63 1HB GLN 63 -14.553 6.272 -7.999 485 HG2 GLN 63 2HG GLN 63 -15.755 4.454 -8.367 486 HG3 GLN 63 1HG GLN 63 -14.255 3.615 -8.762 487 HE21 GLN 63 1HE2 GLN 63 -13.044 2.795 -6.798 488 HE22 GLN 63 2HE2 GLN 63 -13.994 2.038 -5.570 489 H ALA 64 H ALA 64 -14.230 6.486 -9.927 490 HA ALA 64 HA ALA 64 -12.626 8.089 -11.502 491 HB1 ALA 64 1HB ALA 64 -15.089 7.501 -11.796 492 HB2 ALA 64 2HB ALA 64 -14.583 9.117 -12.286 493 HB3 ALA 64 3HB ALA 64 -15.424 8.883 -10.754 494 H GLY 65 H GLY 65 -11.217 9.565 -10.802 495 HA2 GLY 65 2HA GLY 65 -10.927 11.864 -10.123 496 HA3 GLY 65 1HA GLY 65 -12.204 11.625 -8.939 497 H MET 66 H MET 66 -10.737 8.882 -8.499 498 HA MET 66 HA MET 66 -8.673 9.970 -6.703 499 HB2 MET 66 2HB MET 66 -10.869 8.044 -6.211 500 HB3 MET 66 1HB MET 66 -9.319 7.661 -5.474 501 HG2 MET 66 2HG MET 66 -9.568 10.277 -4.822 502 HG3 MET 66 1HG MET 66 -11.254 9.765 -4.827 503 HE1 MET 66 3HE MET 66 -10.388 9.758 -1.013 504 HE2 MET 66 1HE MET 66 -11.434 10.406 -2.276 505 HE3 MET 66 2HE MET 66 -9.736 10.878 -2.210 506 H GLU 67 H GLU 67 -9.021 8.309 -9.471 507 HA GLU 67 HA GLU 67 -7.162 6.154 -8.931 508 HB2 GLU 67 2HB GLU 67 -7.418 5.636 -11.327 509 HB3 GLU 67 1HB GLU 67 -8.970 5.755 -10.510 510 HG2 GLU 67 2HG GLU 67 -9.350 7.938 -11.433 511 HG3 GLU 67 1HG GLU 67 -7.734 7.962 -12.138 512 H LYS 68 H LYS 68 -7.156 9.352 -10.318 513 HA LYS 68 HA LYS 68 -4.476 9.104 -11.377 514 HB2 LYS 68 2HB LYS 68 -4.779 11.584 -11.818 515 HB3 LYS 68 1HB LYS 68 -5.904 10.510 -12.639 516 HG2 LYS 68 2HG LYS 68 -7.669 11.087 -11.200 517 HG3 LYS 68 1HG LYS 68 -6.580 11.845 -10.038 518 HD2 LYS 68 2HD LYS 68 -6.087 13.620 -11.617 519 HD3 LYS 68 1HD LYS 68 -7.090 12.839 -12.841 520 HE2 LYS 68 2HE LYS 68 -8.189 13.665 -10.171 521 HE3 LYS 68 1HE LYS 68 -8.115 14.781 -11.533 522 HZ1 LYS 68 3HZ LYS 68 -9.569 13.440 -12.781 523 HZ2 LYS 68 1HZ LYS 68 -10.261 13.533 -11.238 524 HZ3 LYS 68 2HZ LYS 68 -9.434 12.135 -11.712 525 H GLU 69 H GLU 69 -5.962 10.014 -8.412 526 HA GLU 69 HA GLU 69 -3.793 11.661 -7.483 527 HB2 GLU 69 2HB GLU 69 -5.012 11.881 -5.465 528 HB3 GLU 69 1HB GLU 69 -6.213 11.862 -6.747 529 HG2 GLU 69 2HG GLU 69 -6.788 9.592 -6.258 530 HG3 GLU 69 1HG GLU 69 -5.472 9.462 -5.093 531 HA PRO 70 HA PRO 70 -1.183 8.444 -5.973 532 HB2 PRO 70 2HB PRO 70 0.149 9.749 -4.011 533 HB3 PRO 70 1HB PRO 70 0.425 10.072 -5.727 534 HG2 PRO 70 2HG PRO 70 -1.240 11.593 -3.758 535 HG3 PRO 70 1HG PRO 70 -0.126 12.210 -4.991 536 HD2 PRO 70 2HD PRO 70 -2.818 12.148 -5.337 537 HD3 PRO 70 1HD PRO 70 -1.671 11.979 -6.682 538 H VAL 71 H VAL 71 -0.506 7.348 -3.916 539 HA VAL 71 HA VAL 71 -2.776 6.497 -2.482 540 HB VAL 71 HB VAL 71 -1.037 5.391 -0.962 541 HG11 VAL 71 1HG1 VAL 71 -0.231 4.276 -3.438 542 HG12 VAL 71 2HG1 VAL 71 -1.901 4.813 -3.610 543 HG13 VAL 71 3HG1 VAL 71 -1.464 3.692 -2.321 544 HG21 VAL 71 3HG2 VAL 71 1.174 5.677 -1.280 545 HG22 VAL 71 1HG2 VAL 71 0.672 7.215 -1.980 546 HG23 VAL 71 2HG2 VAL 71 1.010 5.838 -3.028 547 HA PRO 72 HA PRO 72 -3.003 9.245 0.974 548 HB2 PRO 72 2HB PRO 72 -3.718 7.620 2.996 549 HB3 PRO 72 1HB PRO 72 -4.804 7.959 1.645 550 HG2 PRO 72 2HG PRO 72 -3.021 5.587 2.082 551 HG3 PRO 72 1HG PRO 72 -4.722 5.622 1.583 552 HD2 PRO 72 2HD PRO 72 -2.713 5.313 -0.190 553 HD3 PRO 72 1HD PRO 72 -4.204 6.184 -0.597 554 H LEU 73 H LEU 73 -0.559 6.961 0.785 555 HA LEU 73 HA LEU 73 0.600 7.632 3.383 556 HB2 LEU 73 2HB LEU 73 1.946 5.790 1.473 557 HB3 LEU 73 1HB LEU 73 1.852 5.715 3.223 558 HG LEU 73 HG LEU 73 -0.507 5.139 1.435 559 HD11 LEU 73 1HD1 LEU 73 0.003 2.735 2.039 560 HD12 LEU 73 2HD1 LEU 73 1.616 3.298 2.479 561 HD13 LEU 73 3HD1 LEU 73 1.037 3.487 0.825 562 HD21 LEU 73 3HD2 LEU 73 -1.136 5.714 3.676 563 HD22 LEU 73 1HD2 LEU 73 0.070 4.614 4.344 564 HD23 LEU 73 2HD2 LEU 73 -1.321 3.972 3.469 565 H GLN 74 H GLN 74 2.644 8.559 3.605 566 HA GLN 74 HA GLN 74 3.815 9.709 1.165 567 HB2 GLN 74 2HB GLN 74 3.306 11.128 3.782 568 HB3 GLN 74 1HB GLN 74 4.288 11.781 2.477 569 HG2 GLN 74 2HG GLN 74 2.250 12.801 2.139 570 HG3 GLN 74 1HG GLN 74 2.183 11.434 1.028 571 HE21 GLN 74 1HE2 GLN 74 0.015 11.162 0.967 572 HE22 GLN 74 2HE2 GLN 74 -0.942 10.706 2.330 573 H HIS 75 H HIS 75 5.996 10.862 1.906 574 HA HIS 75 HA HIS 75 7.821 8.850 2.466 575 HB2 HIS 75 2HB HIS 75 8.186 11.194 1.437 576 HB3 HIS 75 1HB HIS 75 8.394 11.734 3.099 577 HD1 HIS 75 1HD HIS 75 9.883 8.852 3.753 578 HD2 HIS 75 2HD HIS 75 10.931 11.775 0.990 579 HE1 HIS 75 1HE HIS 75 12.341 8.530 3.332 580 HE2 HIS 75 2HE HIS 75 12.970 10.363 1.722 581 H GLY 76 H GLY 76 7.887 7.695 4.285 582 HA2 GLY 76 2HA GLY 76 8.773 7.637 6.539 583 HA3 GLY 76 1HA GLY 76 7.972 9.171 6.836 584 H ASP 77 H ASP 77 5.926 7.204 5.061 585 HA ASP 77 HA ASP 77 4.319 6.687 7.424 586 HB2 ASP 77 2HB ASP 77 3.837 6.945 4.544 587 HB3 ASP 77 1HB ASP 77 2.920 5.643 5.294 588 H ARG 78 H ARG 78 3.018 4.497 7.210 589 HA ARG 78 HA ARG 78 4.761 2.289 6.434 590 HB2 ARG 78 2HB ARG 78 4.426 1.181 8.639 591 HB3 ARG 78 1HB ARG 78 5.403 2.639 8.731 592 HG2 ARG 78 2HG ARG 78 2.463 2.761 9.250 593 HG3 ARG 78 1HG ARG 78 3.577 2.219 10.508 594 HD2 ARG 78 2HD ARG 78 4.882 4.368 9.997 595 HD3 ARG 78 1HD ARG 78 3.428 4.892 9.148 596 HE ARG 78 HE ARG 78 3.830 4.816 11.966 597 HH11 ARG 78 1HH1 ARG 78 1.400 4.434 9.489 598 HH12 ARG 78 2HH1 ARG 78 0.091 4.886 10.528 599 HH21 ARG 78 1HH2 ARG 78 2.108 5.411 13.334 600 HH22 ARG 78 2HH2 ARG 78 0.492 5.442 12.711 601 H ILE 79 H ILE 79 3.684 0.344 6.066 602 HA ILE 79 HA ILE 79 0.780 0.340 6.397 603 HB ILE 79 HB ILE 79 0.756 -0.657 3.965 604 HG12 ILE 79 2HG1 ILE 79 3.087 1.267 3.832 605 HG13 ILE 79 1HG1 ILE 79 3.212 -0.482 3.679 606 HG21 ILE 79 1HG2 ILE 79 0.998 2.302 4.034 607 HG22 ILE 79 2HG2 ILE 79 -0.222 1.531 5.046 608 HG23 ILE 79 3HG2 ILE 79 -0.241 1.286 3.300 609 HD11 ILE 79 3HD1 ILE 79 2.395 1.524 1.725 610 HD12 ILE 79 1HD1 ILE 79 1.358 0.099 1.781 611 HD13 ILE 79 2HD1 ILE 79 3.088 -0.081 1.491 612 H THR 80 H THR 80 -0.176 -1.786 5.765 613 HA THR 80 HA THR 80 1.709 -4.005 6.146 614 HB THR 80 HB THR 80 -0.970 -3.760 7.518 615 HG1 THR 80 1HG THR 80 0.219 -2.530 8.768 616 HG21 THR 80 3HG2 THR 80 1.037 -5.696 8.452 617 HG22 THR 80 1HG2 THR 80 0.241 -6.075 6.925 618 HG23 THR 80 2HG2 THR 80 -0.721 -5.819 8.381 619 H ILE 81 H ILE 81 1.485 -5.532 4.663 620 HA ILE 81 HA ILE 81 -0.854 -5.466 2.915 621 HB ILE 81 HB ILE 81 1.639 -7.112 2.534 622 HG12 ILE 81 2HG1 ILE 81 2.353 -4.814 2.680 623 HG13 ILE 81 1HG1 ILE 81 2.369 -5.290 0.985 624 HG21 ILE 81 1HG2 ILE 81 0.782 -6.628 0.073 625 HG22 ILE 81 2HG2 ILE 81 -0.761 -6.473 0.912 626 HG23 ILE 81 3HG2 ILE 81 0.161 -7.971 1.032 627 HD11 ILE 81 3HD1 ILE 81 0.355 -3.563 2.390 628 HD12 ILE 81 1HD1 ILE 81 0.127 -4.198 0.761 629 HD13 ILE 81 2HD1 ILE 81 1.469 -3.106 1.102 630 H GLU 82 H GLU 82 -1.912 -7.434 2.283 631 HA GLU 82 HA GLU 82 -1.557 -9.695 4.112 632 HB2 GLU 82 2HB GLU 82 -3.356 -8.735 5.209 633 HB3 GLU 82 1HB GLU 82 -4.033 -8.061 3.736 634 HG2 GLU 82 2HG GLU 82 -4.836 -10.228 3.056 635 HG3 GLU 82 1HG GLU 82 -4.045 -10.989 4.435 636 H ILE 83 H ILE 83 -1.192 -11.425 2.915 637 HA ILE 83 HA ILE 83 -1.661 -11.549 0.141 638 HB ILE 83 HB ILE 83 -1.103 -13.793 2.085 639 HG12 ILE 83 2HG1 ILE 83 1.133 -13.354 0.494 640 HG13 ILE 83 1HG1 ILE 83 0.549 -11.731 0.844 641 HG21 ILE 83 1HG2 ILE 83 -0.308 -14.978 0.005 642 HG22 ILE 83 2HG2 ILE 83 -1.128 -13.722 -0.923 643 HG23 ILE 83 3HG2 ILE 83 -2.053 -14.774 0.148 644 HD11 ILE 83 3HD1 ILE 83 0.443 -12.973 3.293 645 HD12 ILE 83 1HD1 ILE 83 1.717 -11.894 2.725 646 HD13 ILE 83 2HD1 ILE 83 1.901 -13.640 2.558 647 H LEU 84 H LEU 84 -3.630 -11.552 -0.711 648 HA LEU 84 HA LEU 84 -5.909 -12.632 0.643 649 HB2 LEU 84 2HB LEU 84 -5.717 -11.791 -2.244 650 HB3 LEU 84 1HB LEU 84 -7.173 -11.941 -1.280 651 HG LEU 84 HG LEU 84 -4.999 -9.874 -0.945 652 HD11 LEU 84 1HD1 LEU 84 -7.821 -9.139 -1.379 653 HD12 LEU 84 2HD1 LEU 84 -6.984 -9.860 -2.753 654 HD13 LEU 84 3HD1 LEU 84 -6.342 -8.402 -1.997 655 HD21 LEU 84 3HD2 LEU 84 -6.994 -9.035 0.652 656 HD22 LEU 84 1HD2 LEU 84 -5.622 -9.986 1.221 657 HD23 LEU 84 2HD2 LEU 84 -7.154 -10.779 0.854 658 H LYS 85 H LYS 85 -7.431 -14.084 -0.745 659 HA LYS 85 HA LYS 85 -5.890 -16.477 -1.391 660 HB2 LYS 85 2HB LYS 85 -7.741 -16.616 0.262 661 HB3 LYS 85 1HB LYS 85 -8.872 -16.162 -1.006 662 HG2 LYS 85 2HG LYS 85 -9.105 -18.304 -1.504 663 HG3 LYS 85 1HG LYS 85 -7.416 -18.336 -2.014 664 HD2 LYS 85 2HD LYS 85 -8.426 -18.846 0.784 665 HD3 LYS 85 1HD LYS 85 -7.886 -20.078 -0.358 666 HE2 LYS 85 2HE LYS 85 -5.677 -18.802 -0.424 667 HE3 LYS 85 1HE LYS 85 -6.263 -17.944 1.001 668 HZ1 LYS 85 3HZ LYS 85 -5.342 -20.685 0.736 669 HZ2 LYS 85 1HZ LYS 85 -6.690 -20.462 1.735 670 HZ3 LYS 85 2HZ LYS 85 -5.251 -19.634 2.059 671 H GLY 86 H GLY 86 -5.201 -16.250 -3.455 672 HA2 GLY 86 2HA GLY 86 -6.952 -15.295 -5.544 673 HA3 GLY 86 1HA GLY 86 -5.303 -15.866 -5.743 Start of MODEL 7 1 H1 LYS 6 H LYS 6 12.822 14.624 -6.133 2 HA LYS 6 HA LYS 6 13.132 11.749 -6.361 3 HB2 LYS 6 2HB LYS 6 14.266 13.580 -4.707 4 HB3 LYS 6 1HB LYS 6 12.978 12.970 -3.678 5 HG2 LYS 6 2HG LYS 6 14.036 11.044 -3.316 6 HG3 LYS 6 1HG LYS 6 14.440 10.845 -5.022 7 HD2 LYS 6 2HD LYS 6 16.528 11.547 -4.680 8 HD3 LYS 6 1HD LYS 6 15.967 12.993 -3.839 9 HE2 LYS 6 2HE LYS 6 16.210 12.057 -1.786 10 HE3 LYS 6 1HE LYS 6 15.795 10.440 -2.354 11 HZ1 LYS 6 3HZ LYS 6 18.381 11.797 -2.896 12 HZ2 LYS 6 1HZ LYS 6 17.976 10.201 -3.283 13 HZ3 LYS 6 2HZ LYS 6 18.134 10.664 -1.665 14 H GLU 7 H GLU 7 12.005 10.463 -4.508 15 HA GLU 7 HA GLU 7 9.166 11.250 -4.415 16 HB2 GLU 7 2HB GLU 7 8.886 8.620 -4.317 17 HB3 GLU 7 1HB GLU 7 9.005 9.468 -5.851 18 HG2 GLU 7 2HG GLU 7 11.467 8.407 -4.541 19 HG3 GLU 7 1HG GLU 7 10.403 7.325 -5.437 20 H LYS 8 H LYS 8 8.086 9.495 -2.735 21 HA LYS 8 HA LYS 8 9.517 10.018 -0.241 22 HB2 LYS 8 2HB LYS 8 7.420 9.792 0.875 23 HB3 LYS 8 1HB LYS 8 7.155 10.809 -0.529 24 HG2 LYS 8 2HG LYS 8 6.669 8.141 -1.319 25 HG3 LYS 8 1HG LYS 8 5.841 8.398 0.216 26 HD2 LYS 8 2HD LYS 8 5.122 10.654 -0.977 27 HD3 LYS 8 1HD LYS 8 5.398 9.685 -2.427 28 HE2 LYS 8 2HE LYS 8 3.784 8.517 -0.215 29 HE3 LYS 8 1HE LYS 8 3.044 9.749 -1.237 30 HZ1 LYS 8 3HZ LYS 8 2.720 8.242 -2.805 31 HZ2 LYS 8 1HZ LYS 8 3.339 7.043 -1.784 32 HZ3 LYS 8 2HZ LYS 8 4.366 7.857 -2.853 33 H LYS 9 H LYS 9 9.793 8.410 1.331 34 HA LYS 9 HA LYS 9 9.799 5.675 0.247 35 HB2 LYS 9 2HB LYS 9 12.031 6.491 0.769 36 HB3 LYS 9 1HB LYS 9 11.525 6.921 2.397 37 HG2 LYS 9 2HG LYS 9 11.024 4.127 1.759 38 HG3 LYS 9 1HG LYS 9 12.727 4.571 1.640 39 HD2 LYS 9 2HD LYS 9 11.602 5.743 3.999 40 HD3 LYS 9 1HD LYS 9 11.226 4.019 3.967 41 HE2 LYS 9 2HE LYS 9 13.978 4.625 3.202 42 HE3 LYS 9 1HE LYS 9 13.578 5.137 4.841 43 HZ1 LYS 9 3HZ LYS 9 13.401 3.027 5.545 44 HZ2 LYS 9 1HZ LYS 9 14.354 2.667 4.195 45 HZ3 LYS 9 2HZ LYS 9 12.674 2.480 4.119 46 H ILE 10 H ILE 10 8.768 4.071 1.319 47 HA ILE 10 HA ILE 10 7.669 4.654 3.972 48 HB ILE 10 HB ILE 10 5.783 3.177 2.302 49 HG12 ILE 10 2HG1 ILE 10 6.602 5.979 1.539 50 HG13 ILE 10 1HG1 ILE 10 6.424 4.575 0.494 51 HG21 ILE 10 1HG2 ILE 10 5.228 3.950 4.512 52 HG22 ILE 10 2HG2 ILE 10 4.214 4.787 3.339 53 HG23 ILE 10 3HG2 ILE 10 5.592 5.616 4.063 54 HD11 ILE 10 3HD1 ILE 10 3.992 4.660 0.854 55 HD12 ILE 10 1HD1 ILE 10 4.629 6.128 0.116 56 HD13 ILE 10 2HD1 ILE 10 4.209 6.113 1.828 57 H ARG 11 H ARG 11 6.791 2.695 5.049 58 HA ARG 11 HA ARG 11 8.519 0.408 4.433 59 HB2 ARG 11 2HB ARG 11 8.631 1.390 6.703 60 HB3 ARG 11 1HB ARG 11 6.933 1.002 6.938 61 HG2 ARG 11 2HG ARG 11 7.452 -1.381 6.692 62 HG3 ARG 11 1HG ARG 11 9.159 -0.978 6.490 63 HD2 ARG 11 2HD ARG 11 7.488 -0.351 8.922 64 HD3 ARG 11 1HD ARG 11 8.627 -1.690 8.785 65 HE ARG 11 HE ARG 11 9.797 0.879 8.253 66 HH11 ARG 11 1HH1 ARG 11 8.959 -1.420 10.741 67 HH12 ARG 11 2HH1 ARG 11 10.146 -0.833 11.857 68 HH21 ARG 11 1HH2 ARG 11 11.359 1.652 9.720 69 HH22 ARG 11 2HH2 ARG 11 11.508 0.910 11.278 70 H ILE 12 H ILE 12 7.672 -1.760 4.616 71 HA ILE 12 HA ILE 12 4.771 -2.005 4.265 72 HB ILE 12 HB ILE 12 6.790 -3.305 2.431 73 HG12 ILE 12 2HG1 ILE 12 4.656 -1.426 1.500 74 HG13 ILE 12 1HG1 ILE 12 6.135 -0.762 2.186 75 HG21 ILE 12 1HG2 ILE 12 3.781 -3.443 2.485 76 HG22 ILE 12 2HG2 ILE 12 4.900 -4.748 2.878 77 HG23 ILE 12 3HG2 ILE 12 4.809 -4.129 1.229 78 HD11 ILE 12 3HD1 ILE 12 7.460 -1.884 0.513 79 HD12 ILE 12 1HD1 ILE 12 6.202 -0.922 -0.264 80 HD13 ILE 12 2HD1 ILE 12 6.023 -2.672 -0.136 81 H THR 13 H THR 13 3.906 -3.976 4.915 82 HA THR 13 HA THR 13 5.686 -6.085 5.802 83 HB THR 13 HB THR 13 3.728 -5.128 7.839 84 HG1 THR 13 1HG THR 13 4.801 -3.272 7.667 85 HG21 THR 13 3HG2 THR 13 6.035 -5.820 9.099 86 HG22 THR 13 1HG2 THR 13 6.013 -6.921 7.722 87 HG23 THR 13 2HG2 THR 13 4.651 -6.881 8.840 88 H THR 14 H THR 14 4.824 -7.930 5.112 89 HA THR 14 HA THR 14 1.966 -8.041 4.582 90 HB THR 14 HB THR 14 2.359 -9.726 3.095 91 HG1 THR 14 1HG THR 14 4.335 -10.539 4.894 92 HG21 THR 14 3HG2 THR 14 4.226 -9.290 1.774 93 HG22 THR 14 1HG2 THR 14 5.184 -8.753 3.154 94 HG23 THR 14 2HG2 THR 14 3.856 -7.755 2.560 95 H ASN 15 H ASN 15 0.565 -9.428 5.458 96 HA ASN 15 HA ASN 15 0.710 -10.107 8.114 97 HB2 ASN 15 2HB ASN 15 -1.181 -11.703 7.599 98 HB3 ASN 15 1HB ASN 15 -1.416 -10.051 7.035 99 HD21 ASN 15 1HD2 ASN 15 -2.959 -11.882 5.926 100 HD22 ASN 15 2HD2 ASN 15 -2.458 -12.252 4.315 101 H ASP 16 H ASP 16 1.931 -11.884 5.376 102 HA ASP 16 HA ASP 16 2.118 -14.433 6.514 103 HB2 ASP 16 2HB ASP 16 3.280 -13.037 4.223 104 HB3 ASP 16 1HB ASP 16 4.357 -14.251 4.906 105 H GLY 17 H GLY 17 3.867 -11.545 7.171 106 HA2 GLY 17 2HA GLY 17 5.046 -11.444 9.290 107 HA3 GLY 17 1HA GLY 17 5.622 -13.074 8.981 108 H ARG 18 H ARG 18 5.548 -10.620 6.478 109 HA ARG 18 HA ARG 18 8.471 -10.339 6.749 110 HB2 ARG 18 2HB ARG 18 8.872 -10.778 4.497 111 HB3 ARG 18 1HB ARG 18 7.656 -11.973 4.923 112 HG2 ARG 18 2HG ARG 18 5.939 -10.419 3.978 113 HG3 ARG 18 1HG ARG 18 7.263 -9.426 3.382 114 HD2 ARG 18 2HD ARG 18 6.373 -11.001 1.688 115 HD3 ARG 18 1HD ARG 18 8.083 -11.227 2.040 116 HE ARG 18 HE ARG 18 7.602 -13.265 3.037 117 HH11 ARG 18 1HH1 ARG 18 4.649 -11.624 2.146 118 HH12 ARG 18 2HH1 ARG 18 3.677 -13.051 2.265 119 HH21 ARG 18 1HH2 ARG 18 6.328 -15.137 3.187 120 HH22 ARG 18 2HH2 ARG 18 4.633 -15.048 2.850 121 H GLN 19 H GLN 19 9.365 -8.417 5.690 122 HA GLN 19 HA GLN 19 7.460 -6.322 5.019 123 HB2 GLN 19 2HB GLN 19 8.892 -4.807 6.650 124 HB3 GLN 19 1HB GLN 19 7.482 -5.689 7.215 125 HG2 GLN 19 2HG GLN 19 8.688 -6.933 8.608 126 HG3 GLN 19 1HG GLN 19 9.919 -7.258 7.390 127 HE21 GLN 19 1HE2 GLN 19 11.193 -5.122 6.856 128 HE22 GLN 19 2HE2 GLN 19 11.814 -4.307 8.246 129 H SER 20 H SER 20 8.458 -4.399 4.154 130 HA SER 20 HA SER 20 11.246 -4.333 3.540 131 HB2 SER 20 2HB SER 20 9.288 -5.132 1.385 132 HB3 SER 20 1HB SER 20 10.847 -4.396 1.016 133 HG SER 20 HG SER 20 10.357 -6.845 2.355 134 H MET 21 H MET 21 11.799 -2.423 2.207 135 HA MET 21 HA MET 21 9.798 -0.304 2.599 136 HB2 MET 21 2HB MET 21 11.545 1.249 2.887 137 HB3 MET 21 1HB MET 21 12.051 -0.173 3.785 138 HG2 MET 21 2HG MET 21 12.963 0.240 0.967 139 HG3 MET 21 1HG MET 21 13.755 1.071 2.302 140 HE1 MET 21 3HE MET 21 14.805 -2.485 0.411 141 HE2 MET 21 1HE MET 21 13.285 -1.623 0.171 142 HE3 MET 21 2HE MET 21 13.314 -3.115 1.112 143 H VAL 22 H VAL 22 9.642 1.385 1.036 144 HA VAL 22 HA VAL 22 10.594 0.695 -1.647 145 HB VAL 22 HB VAL 22 8.289 1.364 -2.501 146 HG11 VAL 22 1HG1 VAL 22 9.141 -0.917 -2.607 147 HG12 VAL 22 2HG1 VAL 22 7.411 -0.903 -2.259 148 HG13 VAL 22 3HG1 VAL 22 8.569 -1.211 -0.964 149 HG21 VAL 22 3HG2 VAL 22 6.411 1.101 -1.034 150 HG22 VAL 22 1HG2 VAL 22 7.513 2.283 -0.327 151 HG23 VAL 22 2HG2 VAL 22 7.465 0.635 0.301 152 H THR 23 H THR 23 9.984 2.510 -3.222 153 HA THR 23 HA THR 23 10.418 5.101 -1.884 154 HB THR 23 HB THR 23 12.326 4.253 -3.265 155 HG1 THR 23 1HG THR 23 12.564 6.226 -4.414 156 HG21 THR 23 3HG2 THR 23 10.807 4.932 -5.725 157 HG22 THR 23 1HG2 THR 23 10.649 3.314 -5.042 158 HG23 THR 23 2HG2 THR 23 12.236 3.918 -5.518 159 H LEU 24 H LEU 24 7.858 4.289 -2.101 160 HA LEU 24 HA LEU 24 6.312 4.621 -4.274 161 HB2 LEU 24 2HB LEU 24 5.905 4.709 -1.521 162 HB3 LEU 24 1HB LEU 24 5.211 6.209 -2.108 163 HG LEU 24 HG LEU 24 3.712 5.023 -3.570 164 HD11 LEU 24 1HD1 LEU 24 4.127 2.316 -2.763 165 HD12 LEU 24 2HD1 LEU 24 5.636 2.966 -3.401 166 HD13 LEU 24 3HD1 LEU 24 4.171 3.012 -4.382 167 HD21 LEU 24 3HD2 LEU 24 3.609 3.510 -0.984 168 HD22 LEU 24 1HD2 LEU 24 2.278 4.102 -1.976 169 HD23 LEU 24 2HD2 LEU 24 3.264 5.236 -1.054 170 H LYS 25 H LYS 25 5.808 6.140 -5.717 171 HA LYS 25 HA LYS 25 7.230 8.591 -5.783 172 HB2 LYS 25 2HB LYS 25 5.621 7.050 -7.564 173 HB3 LYS 25 1HB LYS 25 5.009 8.697 -7.563 174 HG2 LYS 25 2HG LYS 25 7.696 9.109 -7.738 175 HG3 LYS 25 1HG LYS 25 7.497 7.611 -8.649 176 HD2 LYS 25 2HD LYS 25 7.306 9.570 -10.103 177 HD3 LYS 25 1HD LYS 25 5.787 8.673 -10.033 178 HE2 LYS 25 2HE LYS 25 4.729 10.296 -8.778 179 HE3 LYS 25 1HE LYS 25 6.244 10.941 -8.147 180 HZ1 LYS 25 3HZ LYS 25 5.399 11.198 -10.980 181 HZ2 LYS 25 1HZ LYS 25 6.709 11.962 -10.231 182 HZ3 LYS 25 2HZ LYS 25 5.127 12.384 -9.807 183 H SER 26 H SER 26 6.355 10.736 -5.804 184 HA SER 26 HA SER 26 4.749 11.347 -3.615 185 HB2 SER 26 2HB SER 26 6.322 12.796 -5.303 186 HB3 SER 26 1HB SER 26 4.716 13.336 -5.794 187 HG SER 26 HG SER 26 4.379 13.624 -3.426 188 H SER 27 H SER 27 3.901 11.116 -7.048 189 HA SER 27 HA SER 27 1.070 11.430 -6.325 190 HB2 SER 27 2HB SER 27 2.052 12.952 -8.077 191 HB3 SER 27 1HB SER 27 2.275 11.531 -9.096 192 HG SER 27 HG SER 27 0.227 12.885 -9.239 193 H THR 28 H THR 28 2.175 9.011 -5.650 194 HA THR 28 HA THR 28 1.498 7.134 -7.778 195 HB THR 28 HB THR 28 3.088 7.034 -5.286 196 HG1 THR 28 1HG THR 28 4.236 5.517 -6.700 197 HG21 THR 28 3HG2 THR 28 2.991 4.445 -5.492 198 HG22 THR 28 1HG2 THR 28 1.366 4.745 -6.109 199 HG23 THR 28 2HG2 THR 28 1.813 5.298 -4.495 200 H THR 29 H THR 29 -0.531 6.491 -7.972 201 HA THR 29 HA THR 29 -2.407 6.749 -5.796 202 HB THR 29 HB THR 29 -3.233 7.302 -7.964 203 HG1 THR 29 1HG THR 29 -4.315 4.731 -7.575 204 HG21 THR 29 3HG2 THR 29 -3.420 5.560 -9.755 205 HG22 THR 29 1HG2 THR 29 -2.261 4.601 -8.836 206 HG23 THR 29 2HG2 THR 29 -1.796 6.182 -9.462 207 H PHE 30 H PHE 30 -4.010 4.780 -5.577 208 HA PHE 30 HA PHE 30 -2.775 2.780 -4.171 209 HB2 PHE 30 2HB PHE 30 -5.217 3.232 -4.159 210 HB3 PHE 30 1HB PHE 30 -5.341 2.468 -5.740 211 HD1 PHE 30 2HD PHE 30 -4.202 1.788 -2.264 212 HD2 PHE 30 1HD PHE 30 -5.776 0.205 -5.886 213 HE1 PHE 30 2HE PHE 30 -4.488 -0.401 -1.177 214 HE2 PHE 30 1HE PHE 30 -6.066 -1.986 -4.807 215 HZ PHE 30 HZ PHE 30 -5.421 -2.292 -2.449 216 H PHE 31 H PHE 31 -3.640 2.747 -7.608 217 HA PHE 31 HA PHE 31 -2.883 0.108 -8.164 218 HB2 PHE 31 2HB PHE 31 -2.844 2.540 -9.962 219 HB3 PHE 31 1HB PHE 31 -2.681 0.878 -10.521 220 HD1 PHE 31 2HD PHE 31 -4.687 -0.522 -8.932 221 HD2 PHE 31 1HD PHE 31 -4.858 3.298 -10.799 222 HE1 PHE 31 2HE PHE 31 -7.135 -0.712 -9.087 223 HE2 PHE 31 1HE PHE 31 -7.306 3.115 -10.958 224 HZ PHE 31 HZ PHE 31 -8.449 1.108 -10.102 225 H GLU 32 H GLU 32 -1.031 3.129 -8.443 226 HA GLU 32 HA GLU 32 1.361 1.970 -9.346 227 HB2 GLU 32 2HB GLU 32 0.701 4.544 -7.945 228 HB3 GLU 32 1HB GLU 32 2.373 4.107 -8.269 229 HG2 GLU 32 2HG GLU 32 1.756 3.880 -10.679 230 HG3 GLU 32 1HG GLU 32 0.176 4.548 -10.273 231 H LEU 33 H LEU 33 0.008 2.393 -6.149 232 HA LEU 33 HA LEU 33 2.392 1.753 -4.717 233 HB2 LEU 33 2HB LEU 33 0.787 2.988 -3.522 234 HB3 LEU 33 1HB LEU 33 -0.518 1.914 -3.988 235 HG LEU 33 HG LEU 33 0.241 0.212 -2.474 236 HD11 LEU 33 1HD1 LEU 33 2.500 1.968 -1.580 237 HD12 LEU 33 2HD1 LEU 33 2.703 0.787 -2.873 238 HD13 LEU 33 3HD1 LEU 33 2.233 0.255 -1.259 239 HD21 LEU 33 3HD2 LEU 33 0.019 1.373 -0.334 240 HD22 LEU 33 1HD2 LEU 33 -1.139 1.976 -1.520 241 HD23 LEU 33 2HD2 LEU 33 0.305 2.915 -1.141 242 H GLN 34 H GLN 34 -0.457 -0.081 -5.752 243 HA GLN 34 HA GLN 34 0.180 -2.508 -4.499 244 HB2 GLN 34 2HB GLN 34 -1.372 -1.954 -7.032 245 HB3 GLN 34 1HB GLN 34 -1.289 -3.531 -6.259 246 HG2 GLN 34 2HG GLN 34 -2.079 -1.386 -4.448 247 HG3 GLN 34 1HG GLN 34 -3.189 -1.624 -5.797 248 HE21 GLN 34 1HE2 GLN 34 -1.225 -3.850 -3.855 249 HE22 GLN 34 2HE2 GLN 34 -2.540 -4.861 -3.371 250 H GLU 35 H GLU 35 1.346 -1.026 -7.425 251 HA GLU 35 HA GLU 35 2.571 -3.405 -8.466 252 HB2 GLU 35 2HB GLU 35 1.854 -1.608 -9.962 253 HB3 GLU 35 1HB GLU 35 2.976 -0.496 -9.189 254 HG2 GLU 35 2HG GLU 35 4.715 -1.241 -10.370 255 HG3 GLU 35 1HG GLU 35 4.239 -2.928 -10.190 256 H SER 36 H SER 36 3.480 -0.857 -6.291 257 HA SER 36 HA SER 36 6.299 -1.216 -6.475 258 HB2 SER 36 2HB SER 36 4.433 0.261 -4.694 259 HB3 SER 36 1HB SER 36 6.026 -0.115 -4.038 260 HG SER 36 HG SER 36 5.571 1.918 -5.422 261 H ILE 37 H ILE 37 3.862 -2.291 -4.114 262 HA ILE 37 HA ILE 37 5.590 -3.739 -2.455 263 HB ILE 37 HB ILE 37 2.702 -4.415 -3.022 264 HG12 ILE 37 2HG1 ILE 37 3.288 -2.829 -0.631 265 HG13 ILE 37 1HG1 ILE 37 3.648 -1.979 -2.131 266 HG21 ILE 37 1HG2 ILE 37 4.479 -5.830 -1.562 267 HG22 ILE 37 2HG2 ILE 37 2.746 -5.784 -1.239 268 HG23 ILE 37 3HG2 ILE 37 3.840 -4.740 -0.333 269 HD11 ILE 37 3HD1 ILE 37 1.084 -2.682 -0.936 270 HD12 ILE 37 1HD1 ILE 37 1.195 -3.039 -2.660 271 HD13 ILE 37 2HD1 ILE 37 1.498 -1.403 -2.077 272 H ALA 38 H ALA 38 3.890 -4.645 -5.402 273 HA ALA 38 HA ALA 38 4.345 -7.402 -5.340 274 HB1 ALA 38 1HB ALA 38 4.325 -5.794 -7.877 275 HB2 ALA 38 2HB ALA 38 2.863 -6.060 -6.927 276 HB3 ALA 38 3HB ALA 38 3.735 -7.434 -7.604 277 H ARG 39 H ARG 39 6.534 -4.807 -5.798 278 HA ARG 39 HA ARG 39 8.517 -6.456 -7.155 279 HB2 ARG 39 2HB ARG 39 9.084 -3.700 -6.132 280 HB3 ARG 39 1HB ARG 39 9.720 -4.509 -7.557 281 HG2 ARG 39 2HG ARG 39 7.194 -4.372 -8.322 282 HG3 ARG 39 1HG ARG 39 7.183 -3.018 -7.191 283 HD2 ARG 39 2HD ARG 39 8.653 -1.783 -8.441 284 HD3 ARG 39 1HD ARG 39 9.405 -3.206 -9.159 285 HE ARG 39 HE ARG 39 6.727 -2.968 -10.030 286 HH11 ARG 39 1HH1 ARG 39 9.878 -1.536 -10.469 287 HH12 ARG 39 2HH1 ARG 39 9.549 -1.002 -12.083 288 HH21 ARG 39 1HH2 ARG 39 6.293 -2.270 -12.154 289 HH22 ARG 39 2HH2 ARG 39 7.514 -1.418 -13.039 290 H GLU 40 H GLU 40 8.154 -4.673 -4.110 291 HA GLU 40 HA GLU 40 10.597 -5.551 -2.985 292 HB2 GLU 40 2HB GLU 40 8.273 -4.000 -2.132 293 HB3 GLU 40 1HB GLU 40 8.965 -4.963 -0.834 294 HG2 GLU 40 2HG GLU 40 9.873 -2.676 -0.960 295 HG3 GLU 40 1HG GLU 40 11.103 -3.927 -1.122 296 H PHE 41 H PHE 41 7.412 -6.939 -3.149 297 HA PHE 41 HA PHE 41 8.359 -9.192 -1.504 298 HB2 PHE 41 2HB PHE 41 5.504 -8.230 -1.765 299 HB3 PHE 41 1HB PHE 41 6.080 -9.542 -0.740 300 HD1 PHE 41 2HD PHE 41 6.609 -5.902 -1.333 301 HD2 PHE 41 1HD PHE 41 6.570 -9.105 1.464 302 HE1 PHE 41 2HE PHE 41 6.991 -4.304 0.500 303 HE2 PHE 41 1HE PHE 41 6.952 -7.514 3.300 304 HZ PHE 41 HZ PHE 41 7.165 -5.113 2.820 305 H ASN 42 H ASN 42 6.622 -11.113 -1.962 306 HA ASN 42 HA ASN 42 6.771 -11.529 -4.871 307 HB2 ASN 42 2HB ASN 42 7.015 -13.392 -2.532 308 HB3 ASN 42 1HB ASN 42 6.529 -14.014 -4.106 309 HD21 ASN 42 1HD2 ASN 42 8.939 -11.731 -2.836 310 HD22 ASN 42 2HD2 ASN 42 10.266 -12.371 -3.738 311 H ILE 43 H ILE 43 4.615 -10.083 -4.074 312 HA ILE 43 HA ILE 43 2.427 -11.995 -4.473 313 HB ILE 43 HB ILE 43 2.246 -9.598 -2.646 314 HG12 ILE 43 2HG1 ILE 43 1.743 -11.859 -1.141 315 HG13 ILE 43 1HG1 ILE 43 3.073 -12.365 -2.177 316 HG21 ILE 43 1HG2 ILE 43 0.257 -11.826 -2.997 317 HG22 ILE 43 2HG2 ILE 43 0.179 -10.318 -3.907 318 HG23 ILE 43 3HG2 ILE 43 0.041 -10.295 -2.148 319 HD11 ILE 43 3HD1 ILE 43 4.200 -10.183 -1.434 320 HD12 ILE 43 1HD1 ILE 43 4.124 -11.528 -0.295 321 HD13 ILE 43 2HD1 ILE 43 2.996 -10.180 -0.144 322 HA PRO 44 HA PRO 44 1.529 -9.250 -7.840 323 HB2 PRO 44 2HB PRO 44 -0.952 -10.168 -8.447 324 HB3 PRO 44 1HB PRO 44 0.525 -11.046 -8.858 325 HG2 PRO 44 2HG PRO 44 -1.365 -11.475 -6.580 326 HG3 PRO 44 1HG PRO 44 -0.564 -12.674 -7.613 327 HD2 PRO 44 2HD PRO 44 0.313 -12.052 -5.115 328 HD3 PRO 44 1HD PRO 44 1.400 -12.575 -6.413 329 HA PRO 45 HA PRO 45 -0.875 -5.867 -6.366 330 HB2 PRO 45 2HB PRO 45 -2.226 -5.060 -8.600 331 HB3 PRO 45 1HB PRO 45 -0.510 -4.741 -8.324 332 HG2 PRO 45 2HG PRO 45 -1.799 -6.888 -9.965 333 HG3 PRO 45 1HG PRO 45 -0.387 -5.883 -10.345 334 HD2 PRO 45 2HD PRO 45 -0.136 -8.420 -9.479 335 HD3 PRO 45 1HD PRO 45 1.030 -7.157 -9.033 336 H TYR 46 H TYR 46 -2.537 -8.501 -7.928 337 HA TYR 46 HA TYR 46 -5.126 -7.587 -6.940 338 HB2 TYR 46 2HB TYR 46 -6.088 -9.396 -8.225 339 HB3 TYR 46 1HB TYR 46 -4.950 -8.512 -9.235 340 HD1 TYR 46 2HD TYR 46 -2.805 -9.525 -9.868 341 HD2 TYR 46 1HD TYR 46 -5.687 -11.685 -7.604 342 HE1 TYR 46 2HE TYR 46 -1.636 -11.624 -10.393 343 HE2 TYR 46 1HE TYR 46 -4.526 -13.790 -8.123 344 HH TYR 46 HH TYR 46 -2.293 -14.545 -8.787 345 H LEU 47 H LEU 47 -2.716 -8.837 -5.368 346 HA LEU 47 HA LEU 47 -4.433 -10.534 -3.698 347 HB2 LEU 47 2HB LEU 47 -1.655 -11.217 -4.649 348 HB3 LEU 47 1HB LEU 47 -2.450 -12.035 -3.318 349 HG LEU 47 HG LEU 47 -3.421 -11.986 -6.177 350 HD11 LEU 47 1HD1 LEU 47 -1.320 -13.370 -5.389 351 HD12 LEU 47 2HD1 LEU 47 -2.520 -14.061 -6.480 352 HD13 LEU 47 3HD1 LEU 47 -2.561 -14.454 -4.762 353 HD21 LEU 47 3HD2 LEU 47 -4.692 -12.723 -3.659 354 HD22 LEU 47 1HD2 LEU 47 -4.714 -14.016 -4.857 355 HD23 LEU 47 2HD2 LEU 47 -5.402 -12.440 -5.248 356 H GLN 48 H GLN 48 -2.724 -7.793 -3.798 357 HA GLN 48 HA GLN 48 -1.618 -8.109 -1.094 358 HB2 GLN 48 2HB GLN 48 -0.968 -6.123 -3.272 359 HB3 GLN 48 1HB GLN 48 -0.337 -6.018 -1.634 360 HG2 GLN 48 2HG GLN 48 0.836 -8.085 -1.882 361 HG3 GLN 48 1HG GLN 48 0.076 -8.383 -3.443 362 HE21 GLN 48 1HE2 GLN 48 0.321 -6.043 -4.737 363 HE22 GLN 48 2HE2 GLN 48 1.984 -5.632 -4.953 364 H CYS 49 H CYS 49 -2.953 -7.436 0.432 365 HA CYS 49 HA CYS 49 -4.696 -5.130 -0.098 366 HB2 CYS 49 2HB CYS 49 -5.897 -7.119 0.621 367 HB3 CYS 49 1HB CYS 49 -4.855 -7.278 2.028 368 HG CYS 49 HG CYS 49 -5.964 -5.015 2.911 369 H ILE 50 H ILE 50 -3.696 -3.307 0.456 370 HA ILE 50 HA ILE 50 -1.723 -3.205 2.540 371 HB ILE 50 HB ILE 50 -2.952 -0.890 1.048 372 HG12 ILE 50 2HG1 ILE 50 -0.293 -1.842 0.233 373 HG13 ILE 50 1HG1 ILE 50 -1.594 -2.977 -0.111 374 HG21 ILE 50 1HG2 ILE 50 -1.788 0.124 2.724 375 HG22 ILE 50 2HG2 ILE 50 -0.482 -0.083 1.557 376 HG23 ILE 50 3HG2 ILE 50 -0.654 -1.214 2.899 377 HD11 ILE 50 3HD1 ILE 50 -2.674 -1.482 -1.535 378 HD12 ILE 50 1HD1 ILE 50 -0.963 -1.296 -1.917 379 HD13 ILE 50 2HD1 ILE 50 -1.777 -0.098 -0.911 380 H ARG 51 H ARG 51 -1.771 -1.908 4.398 381 HA ARG 51 HA ARG 51 -4.352 -0.905 5.308 382 HB2 ARG 51 2HB ARG 51 -2.696 -2.957 6.784 383 HB3 ARG 51 1HB ARG 51 -3.993 -2.031 7.528 384 HG2 ARG 51 2HG ARG 51 -5.218 -3.067 5.314 385 HG3 ARG 51 1HG ARG 51 -4.113 -4.362 5.781 386 HD2 ARG 51 2HD ARG 51 -5.009 -4.132 8.120 387 HD3 ARG 51 1HD ARG 51 -6.238 -3.055 7.460 388 HE ARG 51 HE ARG 51 -7.317 -4.873 6.560 389 HH11 ARG 51 1HH1 ARG 51 -4.143 -5.837 7.645 390 HH12 ARG 51 2HH1 ARG 51 -4.454 -7.529 7.448 391 HH21 ARG 51 1HH2 ARG 51 -7.726 -7.098 6.301 392 HH22 ARG 51 2HH2 ARG 51 -6.486 -8.245 6.684 393 H TYR 52 H TYR 52 -4.168 0.934 6.483 394 HA TYR 52 HA TYR 52 -1.554 1.623 7.616 395 HB2 TYR 52 2HB TYR 52 -1.669 3.881 6.675 396 HB3 TYR 52 1HB TYR 52 -1.653 2.669 5.399 397 HD1 TYR 52 1HD TYR 52 -4.145 1.867 4.722 398 HD2 TYR 52 2HD TYR 52 -3.121 5.643 6.393 399 HE1 TYR 52 1HE TYR 52 -6.193 2.837 3.768 400 HE2 TYR 52 2HE TYR 52 -5.165 6.624 5.443 401 HH TYR 52 HH TYR 52 -7.657 4.690 4.046 402 H GLY 53 H GLY 53 -1.686 3.582 9.038 403 HA2 GLY 53 2HA GLY 53 -2.624 4.749 10.779 404 HA3 GLY 53 1HA GLY 53 -4.187 4.488 10.024 405 H PHE 54 H PHE 54 -3.791 4.472 12.791 406 HA PHE 54 HA PHE 54 -4.200 1.628 13.444 407 HB2 PHE 54 2HB PHE 54 -2.214 2.933 14.485 408 HB3 PHE 54 1HB PHE 54 -3.444 3.708 15.478 409 HD1 PHE 54 2HD PHE 54 -2.855 0.200 14.335 410 HD2 PHE 54 1HD PHE 54 -3.457 2.861 17.602 411 HE1 PHE 54 2HE PHE 54 -2.790 -1.703 15.893 412 HE2 PHE 54 1HE PHE 54 -3.392 0.962 19.166 413 HZ PHE 54 HZ PHE 54 -3.059 -1.324 18.311 414 HA PRO 55 HA PRO 55 -5.527 0.186 14.281 415 HB2 PRO 55 2HB PRO 55 -8.202 -0.174 13.099 416 HB3 PRO 55 1HB PRO 55 -7.443 -1.036 14.440 417 HG2 PRO 55 2HG PRO 55 -9.450 0.697 14.842 418 HG3 PRO 55 1HG PRO 55 -8.119 0.526 16.003 419 HD2 PRO 55 2HD PRO 55 -8.563 2.638 13.924 420 HD3 PRO 55 1HD PRO 55 -7.993 2.808 15.598 421 HA PRO 56 HA PRO 56 -4.521 0.132 9.990 422 HB2 PRO 56 2HB PRO 56 -4.723 -2.491 9.330 423 HB3 PRO 56 1HB PRO 56 -3.419 -1.853 10.337 424 HG2 PRO 56 2HG PRO 56 -5.933 -3.254 11.158 425 HG3 PRO 56 1HG PRO 56 -4.282 -3.467 11.769 426 HD2 PRO 56 2HD PRO 56 -6.144 -2.002 13.078 427 HD3 PRO 56 1HD PRO 56 -4.415 -1.614 13.133 428 H LYS 57 H LYS 57 -5.669 0.838 8.347 429 HA LYS 57 HA LYS 57 -8.450 0.055 8.038 430 HB2 LYS 57 2HB LYS 57 -6.746 2.133 6.662 431 HB3 LYS 57 1HB LYS 57 -8.417 1.812 6.221 432 HG2 LYS 57 2HG LYS 57 -9.250 2.748 8.136 433 HG3 LYS 57 1HG LYS 57 -7.784 2.422 9.063 434 HD2 LYS 57 2HD LYS 57 -7.663 4.711 8.774 435 HD3 LYS 57 1HD LYS 57 -6.693 4.125 7.422 436 HE2 LYS 57 2HE LYS 57 -8.057 5.092 5.959 437 HE3 LYS 57 1HE LYS 57 -9.453 4.268 6.652 438 HZ1 LYS 57 3HZ LYS 57 -9.953 6.490 6.937 439 HZ2 LYS 57 1HZ LYS 57 -8.361 6.926 7.309 440 HZ3 LYS 57 2HZ LYS 57 -9.295 6.087 8.441 441 H GLU 58 H GLU 58 -9.141 -0.084 5.596 442 HA GLU 58 HA GLU 58 -7.346 -2.035 4.313 443 HB2 GLU 58 2HB GLU 58 -9.659 -2.770 5.241 444 HB3 GLU 58 1HB GLU 58 -10.308 -1.948 3.830 445 HG2 GLU 58 2HG GLU 58 -9.097 -3.395 2.354 446 HG3 GLU 58 1HG GLU 58 -8.250 -4.136 3.710 447 H LEU 59 H LEU 59 -6.386 -0.050 3.368 448 HA LEU 59 HA LEU 59 -7.496 1.810 1.749 449 HB2 LEU 59 2HB LEU 59 -5.032 1.381 2.311 450 HB3 LEU 59 1HB LEU 59 -5.015 0.331 0.907 451 HG LEU 59 HG LEU 59 -5.445 2.159 -0.574 452 HD11 LEU 59 1HD1 LEU 59 -6.277 3.524 1.910 453 HD12 LEU 59 2HD1 LEU 59 -6.927 3.638 0.275 454 HD13 LEU 59 3HD1 LEU 59 -5.457 4.513 0.701 455 HD21 LEU 59 3HD2 LEU 59 -3.162 2.065 -0.149 456 HD22 LEU 59 1HD2 LEU 59 -3.344 2.656 1.503 457 HD23 LEU 59 2HD2 LEU 59 -3.558 3.758 0.143 458 H MET 60 H MET 60 -9.343 0.980 0.748 459 HA MET 60 HA MET 60 -9.286 -1.182 -1.097 460 HB2 MET 60 2HB MET 60 -11.552 -0.429 -1.707 461 HB3 MET 60 1HB MET 60 -11.344 -0.546 0.035 462 HG2 MET 60 2HG MET 60 -10.824 1.958 -0.058 463 HG3 MET 60 1HG MET 60 -11.526 1.903 -1.671 464 HE1 MET 60 3HE MET 60 -11.738 2.121 1.834 465 HE2 MET 60 1HE MET 60 -13.369 1.738 2.382 466 HE3 MET 60 2HE MET 60 -13.034 3.301 1.637 467 HA PRO 61 HA PRO 61 -7.886 0.726 -4.804 468 HB2 PRO 61 2HB PRO 61 -9.485 -0.420 -6.688 469 HB3 PRO 61 1HB PRO 61 -8.159 -1.274 -5.890 470 HG2 PRO 61 2HG PRO 61 -11.092 -1.363 -5.311 471 HG3 PRO 61 1HG PRO 61 -9.917 -2.690 -5.352 472 HD2 PRO 61 2HD PRO 61 -10.776 -1.575 -3.041 473 HD3 PRO 61 1HD PRO 61 -9.139 -2.233 -3.229 474 HA PRO 62 HA PRO 62 -10.518 4.247 -5.432 475 HB2 PRO 62 2HB PRO 62 -9.236 5.300 -7.594 476 HB3 PRO 62 1HB PRO 62 -8.635 5.449 -5.941 477 HG2 PRO 62 2HG PRO 62 -7.818 3.537 -8.092 478 HG3 PRO 62 1HG PRO 62 -6.804 4.431 -6.943 479 HD2 PRO 62 2HD PRO 62 -7.423 1.828 -6.594 480 HD3 PRO 62 1HD PRO 62 -7.217 2.944 -5.228 481 H GLN 63 H GLN 63 -11.326 5.428 -7.630 482 HA GLN 63 HA GLN 63 -12.197 3.491 -9.613 483 HB2 GLN 63 2HB GLN 63 -13.830 3.855 -7.472 484 HB3 GLN 63 1HB GLN 63 -14.422 5.116 -8.546 485 HG2 GLN 63 2HG GLN 63 -14.133 2.806 -10.117 486 HG3 GLN 63 1HG GLN 63 -14.905 2.300 -8.615 487 HE21 GLN 63 1HE2 GLN 63 -16.306 4.655 -8.051 488 HE22 GLN 63 2HE2 GLN 63 -17.559 4.841 -9.226 489 H ALA 64 H ALA 64 -14.165 5.026 -10.832 490 HA ALA 64 HA ALA 64 -12.711 6.727 -12.465 491 HB1 ALA 64 1HB ALA 64 -14.667 6.183 -13.473 492 HB2 ALA 64 2HB ALA 64 -15.155 7.745 -12.814 493 HB3 ALA 64 3HB ALA 64 -15.590 6.258 -11.971 494 H GLY 65 H GLY 65 -11.543 8.385 -11.684 495 HA2 GLY 65 2HA GLY 65 -11.633 10.760 -11.221 496 HA3 GLY 65 1HA GLY 65 -13.004 10.450 -10.167 497 H MET 66 H MET 66 -11.318 7.979 -9.271 498 HA MET 66 HA MET 66 -9.666 9.478 -7.347 499 HB2 MET 66 2HB MET 66 -11.605 7.285 -7.006 500 HB3 MET 66 1HB MET 66 -10.106 7.094 -6.108 501 HG2 MET 66 2HG MET 66 -10.465 9.032 -4.864 502 HG3 MET 66 1HG MET 66 -11.679 9.637 -5.989 503 HE1 MET 66 3HE MET 66 -13.622 9.093 -2.652 504 HE2 MET 66 1HE MET 66 -13.800 10.028 -4.137 505 HE3 MET 66 2HE MET 66 -12.261 10.027 -3.274 506 H GLU 67 H GLU 67 -9.709 7.060 -9.765 507 HA GLU 67 HA GLU 67 -7.546 5.461 -8.979 508 HB2 GLU 67 2HB GLU 67 -7.332 5.065 -11.507 509 HB3 GLU 67 1HB GLU 67 -8.844 4.611 -10.735 510 HG2 GLU 67 2HG GLU 67 -9.986 6.445 -11.639 511 HG3 GLU 67 1HG GLU 67 -8.494 7.270 -12.067 512 H LYS 68 H LYS 68 -7.691 8.657 -10.290 513 HA LYS 68 HA LYS 68 -4.829 8.654 -10.896 514 HB2 LYS 68 2HB LYS 68 -6.666 11.000 -11.279 515 HB3 LYS 68 1HB LYS 68 -5.175 10.619 -12.130 516 HG2 LYS 68 2HG LYS 68 -7.650 8.936 -12.364 517 HG3 LYS 68 1HG LYS 68 -7.322 10.306 -13.421 518 HD2 LYS 68 2HD LYS 68 -6.484 8.508 -14.631 519 HD3 LYS 68 1HD LYS 68 -5.046 9.144 -13.828 520 HE2 LYS 68 2HE LYS 68 -4.941 7.385 -12.334 521 HE3 LYS 68 1HE LYS 68 -6.653 7.007 -12.500 522 HZ1 LYS 68 3HZ LYS 68 -5.856 5.346 -13.765 523 HZ2 LYS 68 1HZ LYS 68 -4.400 6.135 -14.108 524 HZ3 LYS 68 2HZ LYS 68 -5.799 6.528 -14.973 525 H GLU 69 H GLU 69 -6.129 8.652 -8.143 526 HA GLU 69 HA GLU 69 -4.963 11.152 -7.125 527 HB2 GLU 69 2HB GLU 69 -7.293 9.548 -6.371 528 HB3 GLU 69 1HB GLU 69 -6.293 10.012 -5.001 529 HG2 GLU 69 2HG GLU 69 -6.727 12.235 -6.792 530 HG3 GLU 69 1HG GLU 69 -8.251 11.534 -6.247 531 HA PRO 70 HA PRO 70 -1.616 8.801 -5.422 532 HB2 PRO 70 2HB PRO 70 -0.782 10.540 -3.508 533 HB3 PRO 70 1HB PRO 70 -0.474 10.783 -5.231 534 HG2 PRO 70 2HG PRO 70 -2.593 11.992 -3.497 535 HG3 PRO 70 1HG PRO 70 -1.584 12.764 -4.734 536 HD2 PRO 70 2HD PRO 70 -4.143 12.021 -5.202 537 HD3 PRO 70 1HD PRO 70 -2.896 11.992 -6.466 538 H VAL 71 H VAL 71 -0.914 7.754 -3.474 539 HA VAL 71 HA VAL 71 -3.061 6.761 -1.908 540 HB VAL 71 HB VAL 71 -1.147 5.711 -0.541 541 HG11 VAL 71 1HG1 VAL 71 -1.438 3.928 -1.849 542 HG12 VAL 71 2HG1 VAL 71 -0.728 4.734 -3.248 543 HG13 VAL 71 3HG1 VAL 71 -2.431 4.975 -2.862 544 HG21 VAL 71 3HG2 VAL 71 0.404 7.544 -1.791 545 HG22 VAL 71 1HG2 VAL 71 0.651 6.134 -2.823 546 HG23 VAL 71 2HG2 VAL 71 1.005 6.038 -1.098 547 HA PRO 72 HA PRO 72 -3.019 9.450 1.602 548 HB2 PRO 72 2HB PRO 72 -3.721 7.834 3.608 549 HB3 PRO 72 1HB PRO 72 -4.823 8.141 2.261 550 HG2 PRO 72 2HG PRO 72 -2.998 5.801 2.701 551 HG3 PRO 72 1HG PRO 72 -4.707 5.801 2.234 552 HD2 PRO 72 2HD PRO 72 -2.694 5.526 0.438 553 HD3 PRO 72 1HD PRO 72 -4.238 6.303 0.037 554 H LEU 73 H LEU 73 -0.549 7.309 1.171 555 HA LEU 73 HA LEU 73 0.666 7.789 3.793 556 HB2 LEU 73 2HB LEU 73 1.983 6.078 1.751 557 HB3 LEU 73 1HB LEU 73 1.911 5.891 3.495 558 HG LEU 73 HG LEU 73 -0.476 5.427 1.716 559 HD11 LEU 73 1HD1 LEU 73 1.343 3.917 1.063 560 HD12 LEU 73 2HD1 LEU 73 -0.007 3.066 1.812 561 HD13 LEU 73 3HD1 LEU 73 1.465 3.367 2.734 562 HD21 LEU 73 3HD2 LEU 73 -0.482 5.828 4.336 563 HD22 LEU 73 1HD2 LEU 73 -0.068 4.113 4.341 564 HD23 LEU 73 2HD2 LEU 73 -1.554 4.660 3.563 565 H GLN 74 H GLN 74 2.802 8.585 3.976 566 HA GLN 74 HA GLN 74 3.872 9.934 1.599 567 HB2 GLN 74 2HB GLN 74 3.349 11.169 4.300 568 HB3 GLN 74 1HB GLN 74 4.439 11.885 3.121 569 HG2 GLN 74 2HG GLN 74 1.485 11.411 2.816 570 HG3 GLN 74 1HG GLN 74 2.311 12.961 2.969 571 HE21 GLN 74 1HE2 GLN 74 0.744 11.180 0.841 572 HE22 GLN 74 2HE2 GLN 74 1.579 11.582 -0.617 573 H HIS 75 H HIS 75 6.087 11.020 2.357 574 HA HIS 75 HA HIS 75 7.893 8.945 2.759 575 HB2 HIS 75 2HB HIS 75 8.259 11.334 1.820 576 HB3 HIS 75 1HB HIS 75 8.551 11.782 3.498 577 HD1 HIS 75 1HD HIS 75 10.116 9.129 4.242 578 HD2 HIS 75 2HD HIS 75 10.876 11.586 0.979 579 HE1 HIS 75 1HE HIS 75 12.515 8.701 3.623 580 HE2 HIS 75 2HE HIS 75 12.929 10.140 1.596 581 H GLY 76 H GLY 76 7.975 7.711 4.526 582 HA2 GLY 76 2HA GLY 76 8.927 7.540 6.748 583 HA3 GLY 76 1HA GLY 76 8.180 9.081 7.131 584 H ASP 77 H ASP 77 6.092 7.121 5.334 585 HA ASP 77 HA ASP 77 4.496 6.629 7.716 586 HB2 ASP 77 2HB ASP 77 3.863 7.328 5.105 587 HB3 ASP 77 1HB ASP 77 3.387 5.637 5.206 588 H ARG 78 H ARG 78 3.114 4.437 7.321 589 HA ARG 78 HA ARG 78 4.872 2.225 6.614 590 HB2 ARG 78 2HB ARG 78 4.268 1.102 8.832 591 HB3 ARG 78 1HB ARG 78 5.481 2.375 8.887 592 HG2 ARG 78 2HG ARG 78 2.703 3.247 9.309 593 HG3 ARG 78 1HG ARG 78 3.387 2.215 10.566 594 HD2 ARG 78 2HD ARG 78 5.430 3.853 10.343 595 HD3 ARG 78 1HD ARG 78 4.209 4.942 9.683 596 HE ARG 78 HE ARG 78 4.507 4.124 12.422 597 HH11 ARG 78 1HH1 ARG 78 2.277 5.329 10.023 598 HH12 ARG 78 2HH1 ARG 78 1.208 6.033 11.189 599 HH21 ARG 78 1HH2 ARG 78 3.101 5.049 13.958 600 HH22 ARG 78 2HH2 ARG 78 1.675 5.875 13.423 601 H ILE 79 H ILE 79 3.786 0.338 6.090 602 HA ILE 79 HA ILE 79 0.873 0.351 6.351 603 HB ILE 79 HB ILE 79 0.902 -0.550 3.889 604 HG12 ILE 79 2HG1 ILE 79 3.295 1.300 3.916 605 HG13 ILE 79 1HG1 ILE 79 3.348 -0.438 3.631 606 HG21 ILE 79 1HG2 ILE 79 -0.290 1.429 4.789 607 HG22 ILE 79 2HG2 ILE 79 0.253 1.619 3.122 608 HG23 ILE 79 3HG2 ILE 79 1.141 2.397 4.434 609 HD11 ILE 79 3HD1 ILE 79 1.499 0.827 1.833 610 HD12 ILE 79 1HD1 ILE 79 2.921 -0.154 1.481 611 HD13 ILE 79 2HD1 ILE 79 3.089 1.582 1.738 612 H THR 80 H THR 80 -0.114 -1.717 5.773 613 HA THR 80 HA THR 80 1.729 -3.989 6.073 614 HB THR 80 HB THR 80 -0.949 -3.664 7.433 615 HG1 THR 80 1HG THR 80 1.650 -3.763 8.558 616 HG21 THR 80 3HG2 THR 80 0.692 -5.737 8.519 617 HG22 THR 80 1HG2 THR 80 0.411 -6.026 6.802 618 HG23 THR 80 2HG2 THR 80 -0.956 -5.823 7.898 619 H ILE 81 H ILE 81 1.452 -5.557 4.620 620 HA ILE 81 HA ILE 81 -0.870 -5.385 2.841 621 HB ILE 81 HB ILE 81 1.644 -6.988 2.398 622 HG12 ILE 81 2HG1 ILE 81 2.276 -4.659 2.591 623 HG13 ILE 81 1HG1 ILE 81 2.335 -5.130 0.896 624 HG21 ILE 81 1HG2 ILE 81 -0.568 -6.092 0.558 625 HG22 ILE 81 2HG2 ILE 81 -0.220 -7.742 1.075 626 HG23 ILE 81 3HG2 ILE 81 0.918 -6.886 0.034 627 HD11 ILE 81 3HD1 ILE 81 0.231 -3.483 2.267 628 HD12 ILE 81 1HD1 ILE 81 0.074 -4.106 0.625 629 HD13 ILE 81 2HD1 ILE 81 1.366 -2.971 1.018 630 H GLU 82 H GLU 82 -1.971 -7.299 2.184 631 HA GLU 82 HA GLU 82 -1.603 -9.631 3.921 632 HB2 GLU 82 2HB GLU 82 -3.401 -8.727 5.051 633 HB3 GLU 82 1HB GLU 82 -4.061 -7.965 3.614 634 HG2 GLU 82 2HG GLU 82 -4.880 -10.091 2.815 635 HG3 GLU 82 1HG GLU 82 -4.126 -10.922 4.173 636 H ILE 83 H ILE 83 -1.246 -11.332 2.670 637 HA ILE 83 HA ILE 83 -1.707 -11.356 -0.110 638 HB ILE 83 HB ILE 83 -1.171 -13.669 1.759 639 HG12 ILE 83 2HG1 ILE 83 1.059 -13.186 0.159 640 HG13 ILE 83 1HG1 ILE 83 0.491 -11.577 0.595 641 HG21 ILE 83 1HG2 ILE 83 -2.164 -14.531 -0.243 642 HG22 ILE 83 2HG2 ILE 83 -0.429 -14.840 -0.317 643 HG23 ILE 83 3HG2 ILE 83 -1.131 -13.519 -1.252 644 HD11 ILE 83 3HD1 ILE 83 1.774 -13.632 2.227 645 HD12 ILE 83 1HD1 ILE 83 0.393 -12.846 2.991 646 HD13 ILE 83 2HD1 ILE 83 1.749 -11.879 2.413 647 H LEU 84 H LEU 84 -3.680 -11.289 -0.955 648 HA LEU 84 HA LEU 84 -5.977 -12.390 0.335 649 HB2 LEU 84 2HB LEU 84 -5.712 -11.455 -2.519 650 HB3 LEU 84 1HB LEU 84 -7.202 -11.671 -1.623 651 HG LEU 84 HG LEU 84 -5.085 -9.578 -1.136 652 HD11 LEU 84 1HD1 LEU 84 -6.791 -8.008 -1.754 653 HD12 LEU 84 2HD1 LEU 84 -7.984 -9.299 -1.905 654 HD13 LEU 84 3HD1 LEU 84 -6.634 -9.210 -3.036 655 HD21 LEU 84 3HD2 LEU 84 -6.972 -8.794 0.509 656 HD22 LEU 84 1HD2 LEU 84 -5.763 -9.971 1.021 657 HD23 LEU 84 2HD2 LEU 84 -7.370 -10.512 0.535 658 H LYS 85 H LYS 85 -7.502 -13.794 -1.097 659 HA LYS 85 HA LYS 85 -5.977 -16.186 -1.789 660 HB2 LYS 85 2HB LYS 85 -8.612 -15.653 -0.649 661 HB3 LYS 85 1HB LYS 85 -8.662 -16.853 -1.933 662 HG2 LYS 85 2HG LYS 85 -6.862 -16.975 0.477 663 HG3 LYS 85 1HG LYS 85 -8.385 -17.847 0.296 664 HD2 LYS 85 2HD LYS 85 -7.424 -19.444 -0.932 665 HD3 LYS 85 1HD LYS 85 -6.632 -18.261 -1.975 666 HE2 LYS 85 2HE LYS 85 -4.687 -18.391 -0.853 667 HE3 LYS 85 1HE LYS 85 -5.485 -18.484 0.716 668 HZ1 LYS 85 3HZ LYS 85 -6.074 -20.847 0.026 669 HZ2 LYS 85 1HZ LYS 85 -4.465 -20.544 0.451 670 HZ3 LYS 85 2HZ LYS 85 -4.899 -20.674 -1.178 671 H GLY 86 H GLY 86 -5.283 -15.921 -3.843 672 HA2 GLY 86 2HA GLY 86 -7.062 -14.939 -5.910 673 HA3 GLY 86 1HA GLY 86 -5.387 -15.430 -6.119 Start of MODEL 8 1 H1 LYS 6 H LYS 6 12.187 14.060 -7.500 2 HA LYS 6 HA LYS 6 12.913 11.407 -6.571 3 HB2 LYS 6 2HB LYS 6 12.647 14.091 -5.242 4 HB3 LYS 6 1HB LYS 6 12.825 12.620 -4.295 5 HG2 LYS 6 2HG LYS 6 14.781 13.087 -6.470 6 HG3 LYS 6 1HG LYS 6 14.896 14.100 -5.030 7 HD2 LYS 6 2HD LYS 6 16.220 12.362 -4.370 8 HD3 LYS 6 1HD LYS 6 14.657 11.760 -3.813 9 HE2 LYS 6 2HE LYS 6 15.266 11.088 -6.594 10 HE3 LYS 6 1HE LYS 6 16.399 10.403 -5.432 11 HZ1 LYS 6 3HZ LYS 6 13.709 10.100 -4.553 12 HZ2 LYS 6 1HZ LYS 6 14.895 8.919 -4.800 13 HZ3 LYS 6 2HZ LYS 6 13.920 9.421 -6.087 14 H GLU 7 H GLU 7 11.754 10.501 -4.652 15 HA GLU 7 HA GLU 7 8.894 11.134 -4.617 16 HB2 GLU 7 2HB GLU 7 8.518 8.577 -4.548 17 HB3 GLU 7 1HB GLU 7 8.810 9.342 -6.102 18 HG2 GLU 7 2HG GLU 7 11.336 8.693 -5.343 19 HG3 GLU 7 1HG GLU 7 10.402 7.380 -4.631 20 H LYS 8 H LYS 8 7.901 9.385 -2.880 21 HA LYS 8 HA LYS 8 9.409 9.958 -0.447 22 HB2 LYS 8 2HB LYS 8 7.362 9.675 0.741 23 HB3 LYS 8 1HB LYS 8 7.012 10.670 -0.662 24 HG2 LYS 8 2HG LYS 8 6.598 7.956 -1.377 25 HG3 LYS 8 1HG LYS 8 5.786 8.250 0.159 26 HD2 LYS 8 2HD LYS 8 4.898 10.391 -1.011 27 HD3 LYS 8 1HD LYS 8 5.336 9.551 -2.500 28 HE2 LYS 8 2HE LYS 8 3.886 7.716 -1.956 29 HE3 LYS 8 1HE LYS 8 3.556 8.393 -0.362 30 HZ1 LYS 8 3HZ LYS 8 1.732 9.116 -1.479 31 HZ2 LYS 8 1HZ LYS 8 2.519 9.196 -2.975 32 HZ3 LYS 8 2HZ LYS 8 2.761 10.412 -1.825 33 H LYS 9 H LYS 9 9.534 8.350 1.232 34 HA LYS 9 HA LYS 9 9.689 5.609 0.161 35 HB2 LYS 9 2HB LYS 9 11.900 6.445 0.683 36 HB3 LYS 9 1HB LYS 9 11.375 6.952 2.282 37 HG2 LYS 9 2HG LYS 9 10.895 4.128 1.805 38 HG3 LYS 9 1HG LYS 9 12.596 4.567 1.638 39 HD2 LYS 9 2HD LYS 9 11.244 5.750 3.961 40 HD3 LYS 9 1HD LYS 9 11.362 3.990 3.996 41 HE2 LYS 9 2HE LYS 9 13.837 5.264 3.151 42 HE3 LYS 9 1HE LYS 9 13.325 5.780 4.758 43 HZ1 LYS 9 3HZ LYS 9 14.253 3.183 3.853 44 HZ2 LYS 9 1HZ LYS 9 12.953 3.153 4.938 45 HZ3 LYS 9 2HZ LYS 9 14.399 3.918 5.369 46 H ILE 10 H ILE 10 8.561 4.056 1.172 47 HA ILE 10 HA ILE 10 7.455 4.646 3.830 48 HB ILE 10 HB ILE 10 5.650 3.074 2.145 49 HG12 ILE 10 2HG1 ILE 10 6.434 5.873 1.356 50 HG13 ILE 10 1HG1 ILE 10 6.209 4.463 0.329 51 HG21 ILE 10 1HG2 ILE 10 5.313 5.528 3.867 52 HG22 ILE 10 2HG2 ILE 10 5.053 3.855 4.357 53 HG23 ILE 10 3HG2 ILE 10 3.996 4.596 3.156 54 HD11 ILE 10 3HD1 ILE 10 3.723 4.672 1.138 55 HD12 ILE 10 1HD1 ILE 10 4.343 5.669 -0.178 56 HD13 ILE 10 2HD1 ILE 10 4.200 6.342 1.445 57 H ARG 11 H ARG 11 6.621 2.686 4.943 58 HA ARG 11 HA ARG 11 8.404 0.426 4.378 59 HB2 ARG 11 2HB ARG 11 8.578 1.443 6.606 60 HB3 ARG 11 1HB ARG 11 6.874 1.118 6.892 61 HG2 ARG 11 2HG ARG 11 7.322 -1.290 6.723 62 HG3 ARG 11 1HG ARG 11 9.036 -0.940 6.489 63 HD2 ARG 11 2HD ARG 11 7.354 -0.400 8.923 64 HD3 ARG 11 1HD ARG 11 8.729 -1.492 8.785 65 HE ARG 11 HE ARG 11 10.103 0.551 8.439 66 HH11 ARG 11 1HH1 ARG 11 7.047 0.787 10.127 67 HH12 ARG 11 2HH1 ARG 11 7.506 2.208 11.000 68 HH21 ARG 11 1HH2 ARG 11 10.695 2.414 9.594 69 HH22 ARG 11 2HH2 ARG 11 9.570 3.130 10.701 70 H ILE 12 H ILE 12 7.615 -1.748 4.629 71 HA ILE 12 HA ILE 12 4.712 -2.071 4.325 72 HB ILE 12 HB ILE 12 6.747 -3.425 2.550 73 HG12 ILE 12 2HG1 ILE 12 4.616 -1.599 1.521 74 HG13 ILE 12 1HG1 ILE 12 6.075 -0.892 2.206 75 HG21 ILE 12 1HG2 ILE 12 4.844 -4.844 3.063 76 HG22 ILE 12 2HG2 ILE 12 4.786 -4.318 1.380 77 HG23 ILE 12 3HG2 ILE 12 3.737 -3.560 2.578 78 HD11 ILE 12 3HD1 ILE 12 7.420 -2.198 0.611 79 HD12 ILE 12 1HD1 ILE 12 6.300 -1.091 -0.181 80 HD13 ILE 12 2HD1 ILE 12 5.931 -2.813 -0.105 81 H THR 13 H THR 13 3.889 -4.052 5.034 82 HA THR 13 HA THR 13 5.710 -6.075 6.017 83 HB THR 13 HB THR 13 3.716 -5.148 8.019 84 HG1 THR 13 1HG THR 13 6.213 -3.893 7.543 85 HG21 THR 13 3HG2 THR 13 6.039 -5.632 9.318 86 HG22 THR 13 1HG2 THR 13 6.156 -6.746 7.957 87 HG23 THR 13 2HG2 THR 13 4.768 -6.823 9.040 88 H THR 14 H THR 14 4.904 -7.962 5.391 89 HA THR 14 HA THR 14 2.060 -8.161 4.822 90 HB THR 14 HB THR 14 2.522 -9.907 3.420 91 HG1 THR 14 1HG THR 14 4.521 -10.556 5.268 92 HG21 THR 14 3HG2 THR 14 5.336 -8.943 3.408 93 HG22 THR 14 1HG2 THR 14 4.029 -7.864 2.920 94 HG23 THR 14 2HG2 THR 14 4.285 -9.382 2.059 95 H ASN 15 H ASN 15 0.670 -9.533 5.734 96 HA ASN 15 HA ASN 15 0.778 -10.111 8.410 97 HB2 ASN 15 2HB ASN 15 -1.056 -11.784 7.919 98 HB3 ASN 15 1HB ASN 15 -1.327 -10.158 7.297 99 HD21 ASN 15 1HD2 ASN 15 -2.794 -12.076 6.224 100 HD22 ASN 15 2HD2 ASN 15 -2.254 -12.479 4.633 101 H ASP 16 H ASP 16 2.109 -11.969 5.774 102 HA ASP 16 HA ASP 16 2.332 -14.463 7.015 103 HB2 ASP 16 2HB ASP 16 3.397 -13.180 4.664 104 HB3 ASP 16 1HB ASP 16 4.656 -14.126 5.454 105 H GLY 17 H GLY 17 4.016 -11.506 7.564 106 HA2 GLY 17 2HA GLY 17 5.095 -11.276 9.739 107 HA3 GLY 17 1HA GLY 17 5.732 -12.899 9.519 108 H ARG 18 H ARG 18 5.664 -10.573 6.907 109 HA ARG 18 HA ARG 18 8.563 -10.167 7.263 110 HB2 ARG 18 2HB ARG 18 9.077 -10.748 5.081 111 HB3 ARG 18 1HB ARG 18 7.839 -11.924 5.492 112 HG2 ARG 18 2HG ARG 18 6.176 -10.474 4.355 113 HG3 ARG 18 1HG ARG 18 7.503 -9.439 3.834 114 HD2 ARG 18 2HD ARG 18 6.988 -10.954 2.051 115 HD3 ARG 18 1HD ARG 18 8.537 -11.418 2.750 116 HE ARG 18 HE ARG 18 7.590 -13.376 3.514 117 HH11 ARG 18 1HH1 ARG 18 5.083 -11.254 2.330 118 HH12 ARG 18 2HH1 ARG 18 3.883 -12.501 2.276 119 HH21 ARG 18 1HH2 ARG 18 6.015 -15.014 3.438 120 HH22 ARG 18 2HH2 ARG 18 4.416 -14.637 2.893 121 H GLN 19 H GLN 19 9.428 -8.283 6.096 122 HA GLN 19 HA GLN 19 7.441 -6.279 5.349 123 HB2 GLN 19 2HB GLN 19 8.991 -4.659 6.797 124 HB3 GLN 19 1HB GLN 19 7.576 -5.456 7.466 125 HG2 GLN 19 2HG GLN 19 9.367 -5.677 9.018 126 HG3 GLN 19 1HG GLN 19 9.055 -7.260 8.308 127 HE21 GLN 19 1HE2 GLN 19 11.151 -7.910 8.921 128 HE22 GLN 19 2HE2 GLN 19 12.541 -7.413 8.023 129 H SER 20 H SER 20 8.392 -4.352 4.364 130 HA SER 20 HA SER 20 11.122 -4.363 3.520 131 HB2 SER 20 2HB SER 20 9.547 -6.016 2.015 132 HB3 SER 20 1HB SER 20 9.409 -4.501 1.125 133 HG SER 20 HG SER 20 11.395 -6.210 1.054 134 H MET 21 H MET 21 11.695 -2.443 2.395 135 HA MET 21 HA MET 21 9.689 -0.318 2.671 136 HB2 MET 21 2HB MET 21 11.446 1.231 2.960 137 HB3 MET 21 1HB MET 21 11.909 -0.173 3.908 138 HG2 MET 21 2HG MET 21 12.902 0.133 1.107 139 HG3 MET 21 1HG MET 21 13.659 1.026 2.423 140 HE1 MET 21 3HE MET 21 12.814 -2.218 0.786 141 HE2 MET 21 1HE MET 21 14.036 -3.349 1.365 142 HE3 MET 21 2HE MET 21 14.507 -1.982 0.356 143 H VAL 22 H VAL 22 9.528 1.318 1.075 144 HA VAL 22 HA VAL 22 10.568 0.606 -1.570 145 HB VAL 22 HB VAL 22 8.284 1.199 -2.505 146 HG11 VAL 22 1HG1 VAL 22 7.478 -1.052 -2.331 147 HG12 VAL 22 2HG1 VAL 22 8.413 -1.316 -0.859 148 HG13 VAL 22 3HG1 VAL 22 9.240 -1.093 -2.401 149 HG21 VAL 22 3HG2 VAL 22 7.437 2.179 -0.383 150 HG22 VAL 22 1HG2 VAL 22 7.380 0.550 0.290 151 HG23 VAL 22 2HG2 VAL 22 6.365 0.969 -1.090 152 H THR 23 H THR 23 9.961 2.380 -3.185 153 HA THR 23 HA THR 23 10.323 4.997 -1.881 154 HB THR 23 HB THR 23 12.240 4.075 -3.263 155 HG1 THR 23 1HG THR 23 11.782 6.371 -2.855 156 HG21 THR 23 3HG2 THR 23 11.226 5.002 -5.776 157 HG22 THR 23 1HG2 THR 23 10.258 3.654 -5.179 158 HG23 THR 23 2HG2 THR 23 12.001 3.471 -5.373 159 H LEU 24 H LEU 24 7.777 4.093 -2.142 160 HA LEU 24 HA LEU 24 6.260 4.389 -4.337 161 HB2 LEU 24 2HB LEU 24 5.762 4.342 -1.650 162 HB3 LEU 24 1HB LEU 24 5.175 5.934 -2.090 163 HG LEU 24 HG LEU 24 3.692 4.926 -3.771 164 HD11 LEU 24 1HD1 LEU 24 4.851 2.972 -4.421 165 HD12 LEU 24 2HD1 LEU 24 3.369 2.427 -3.635 166 HD13 LEU 24 3HD1 LEU 24 4.903 2.364 -2.767 167 HD21 LEU 24 3HD2 LEU 24 2.870 5.325 -1.503 168 HD22 LEU 24 1HD2 LEU 24 3.410 3.717 -1.022 169 HD23 LEU 24 2HD2 LEU 24 2.122 3.895 -2.214 170 H LYS 25 H LYS 25 5.658 5.907 -5.753 171 HA LYS 25 HA LYS 25 7.005 8.420 -5.774 172 HB2 LYS 25 2HB LYS 25 5.528 6.807 -7.623 173 HB3 LYS 25 1HB LYS 25 4.899 8.448 -7.665 174 HG2 LYS 25 2HG LYS 25 7.831 7.842 -7.881 175 HG3 LYS 25 1HG LYS 25 6.763 7.887 -9.284 176 HD2 LYS 25 2HD LYS 25 7.275 10.144 -7.346 177 HD3 LYS 25 1HD LYS 25 7.883 10.026 -8.998 178 HE2 LYS 25 2HE LYS 25 5.099 9.672 -9.156 179 HE3 LYS 25 1HE LYS 25 5.362 11.020 -8.052 180 HZ1 LYS 25 3HZ LYS 25 6.707 10.867 -10.683 181 HZ2 LYS 25 1HZ LYS 25 6.507 12.219 -9.684 182 HZ3 LYS 25 2HZ LYS 25 5.177 11.566 -10.499 183 H SER 26 H SER 26 6.177 10.485 -5.528 184 HA SER 26 HA SER 26 4.310 10.926 -3.531 185 HB2 SER 26 2HB SER 26 5.867 12.659 -4.078 186 HB3 SER 26 1HB SER 26 5.279 12.748 -5.738 187 HG SER 26 HG SER 26 4.488 14.226 -3.789 188 H SER 27 H SER 27 3.840 10.587 -6.976 189 HA SER 27 HA SER 27 0.972 11.148 -6.653 190 HB2 SER 27 2HB SER 27 2.489 10.887 -9.255 191 HB3 SER 27 1HB SER 27 0.872 11.549 -9.014 192 HG SER 27 HG SER 27 3.329 12.732 -8.682 193 H THR 28 H THR 28 2.193 8.703 -5.762 194 HA THR 28 HA THR 28 1.494 6.684 -7.720 195 HB THR 28 HB THR 28 2.657 6.600 -4.944 196 HG1 THR 28 1HG THR 28 3.581 5.890 -7.520 197 HG21 THR 28 3HG2 THR 28 1.834 4.563 -4.636 198 HG22 THR 28 1HG2 THR 28 2.933 4.052 -5.917 199 HG23 THR 28 2HG2 THR 28 1.258 4.450 -6.299 200 H THR 29 H THR 29 -0.640 6.410 -8.010 201 HA THR 29 HA THR 29 -2.515 6.669 -5.844 202 HB THR 29 HB THR 29 -3.285 7.363 -7.992 203 HG1 THR 29 1HG THR 29 -4.517 4.844 -7.691 204 HG21 THR 29 3HG2 THR 29 -2.455 4.652 -8.968 205 HG22 THR 29 1HG2 THR 29 -1.917 6.232 -9.534 206 HG23 THR 29 2HG2 THR 29 -3.568 5.697 -9.850 207 H PHE 30 H PHE 30 -4.216 4.824 -5.659 208 HA PHE 30 HA PHE 30 -3.165 2.699 -4.324 209 HB2 PHE 30 2HB PHE 30 -5.555 3.275 -4.325 210 HB3 PHE 30 1HB PHE 30 -5.701 2.671 -5.973 211 HD1 PHE 30 1HD PHE 30 -4.693 1.577 -2.561 212 HD2 PHE 30 2HD PHE 30 -6.337 0.486 -6.331 213 HE1 PHE 30 1HE PHE 30 -5.194 -0.668 -1.688 214 HE2 PHE 30 2HE PHE 30 -6.841 -1.761 -5.466 215 HZ PHE 30 HZ PHE 30 -6.270 -2.339 -3.142 216 H PHE 31 H PHE 31 -3.841 2.849 -7.794 217 HA PHE 31 HA PHE 31 -3.240 0.154 -8.368 218 HB2 PHE 31 2HB PHE 31 -2.831 2.458 -10.269 219 HB3 PHE 31 1HB PHE 31 -3.235 0.790 -10.661 220 HD1 PHE 31 1HD PHE 31 -5.471 0.076 -9.131 221 HD2 PHE 31 2HD PHE 31 -4.541 3.891 -10.771 222 HE1 PHE 31 1HE PHE 31 -7.863 0.655 -9.134 223 HE2 PHE 31 2HE PHE 31 -6.930 4.477 -10.776 224 HZ PHE 31 HZ PHE 31 -8.595 2.858 -9.957 225 H GLU 32 H GLU 32 -1.254 3.096 -8.627 226 HA GLU 32 HA GLU 32 1.090 1.860 -9.521 227 HB2 GLU 32 2HB GLU 32 0.474 4.433 -8.133 228 HB3 GLU 32 1HB GLU 32 2.153 3.932 -8.280 229 HG2 GLU 32 2HG GLU 32 1.206 3.569 -10.821 230 HG3 GLU 32 1HG GLU 32 0.330 5.001 -10.285 231 H LEU 33 H LEU 33 -0.235 2.244 -6.300 232 HA LEU 33 HA LEU 33 2.123 1.496 -4.894 233 HB2 LEU 33 2HB LEU 33 0.460 2.727 -3.717 234 HB3 LEU 33 1HB LEU 33 -0.786 1.565 -4.124 235 HG LEU 33 HG LEU 33 0.158 -0.072 -2.630 236 HD11 LEU 33 1HD1 LEU 33 2.311 1.921 -1.952 237 HD12 LEU 33 2HD1 LEU 33 2.536 0.568 -3.060 238 HD13 LEU 33 3HD1 LEU 33 2.150 0.265 -1.366 239 HD21 LEU 33 3HD2 LEU 33 -0.048 2.661 -1.376 240 HD22 LEU 33 1HD2 LEU 33 -0.037 1.144 -0.476 241 HD23 LEU 33 2HD2 LEU 33 -1.348 1.491 -1.603 242 H GLN 34 H GLN 34 -0.769 -0.272 -5.942 243 HA GLN 34 HA GLN 34 -0.175 -2.738 -4.775 244 HB2 GLN 34 2HB GLN 34 -1.720 -1.996 -7.251 245 HB3 GLN 34 1HB GLN 34 -1.563 -3.665 -6.723 246 HG2 GLN 34 2HG GLN 34 -2.429 -1.810 -4.630 247 HG3 GLN 34 1HG GLN 34 -3.549 -1.971 -5.982 248 HE21 GLN 34 1HE2 GLN 34 -1.401 -4.248 -4.311 249 HE22 GLN 34 2HE2 GLN 34 -2.632 -5.401 -3.938 250 H GLU 35 H GLU 35 1.197 -1.179 -7.547 251 HA GLU 35 HA GLU 35 2.394 -3.607 -8.578 252 HB2 GLU 35 2HB GLU 35 1.649 -1.863 -10.129 253 HB3 GLU 35 1HB GLU 35 2.767 -0.720 -9.396 254 HG2 GLU 35 2HG GLU 35 4.456 -1.439 -10.639 255 HG3 GLU 35 1HG GLU 35 4.121 -3.125 -10.251 256 H SER 36 H SER 36 3.202 -1.115 -6.350 257 HA SER 36 HA SER 36 6.044 -1.351 -6.559 258 HB2 SER 36 2HB SER 36 6.011 0.478 -5.258 259 HB3 SER 36 1HB SER 36 4.252 0.394 -5.291 260 HG SER 36 HG SER 36 5.904 0.011 -3.227 261 H ILE 37 H ILE 37 3.736 -2.330 -4.030 262 HA ILE 37 HA ILE 37 5.454 -3.765 -2.422 263 HB ILE 37 HB ILE 37 2.586 -4.523 -2.988 264 HG12 ILE 37 2HG1 ILE 37 3.067 -2.931 -0.599 265 HG13 ILE 37 1HG1 ILE 37 3.526 -2.069 -2.063 266 HG21 ILE 37 1HG2 ILE 37 4.205 -6.034 -1.622 267 HG22 ILE 37 2HG2 ILE 37 2.583 -5.709 -1.012 268 HG23 ILE 37 3HG2 ILE 37 3.963 -4.828 -0.358 269 HD11 ILE 37 3HD1 ILE 37 0.845 -3.345 -1.592 270 HD12 ILE 37 1HD1 ILE 37 1.318 -2.359 -2.975 271 HD13 ILE 37 2HD1 ILE 37 1.211 -1.635 -1.370 272 H ALA 38 H ALA 38 3.753 -4.825 -5.328 273 HA ALA 38 HA ALA 38 4.314 -7.556 -5.190 274 HB1 ALA 38 1HB ALA 38 2.932 -6.006 -6.905 275 HB2 ALA 38 2HB ALA 38 3.391 -7.675 -7.245 276 HB3 ALA 38 3HB ALA 38 4.363 -6.346 -7.877 277 H ARG 39 H ARG 39 6.413 -4.907 -5.773 278 HA ARG 39 HA ARG 39 8.429 -6.547 -7.090 279 HB2 ARG 39 2HB ARG 39 8.940 -3.742 -6.187 280 HB3 ARG 39 1HB ARG 39 9.556 -4.586 -7.600 281 HG2 ARG 39 2HG ARG 39 7.036 -4.533 -8.335 282 HG3 ARG 39 1HG ARG 39 6.966 -3.179 -7.207 283 HD2 ARG 39 2HD ARG 39 8.195 -1.838 -8.534 284 HD3 ARG 39 1HD ARG 39 9.252 -3.151 -9.052 285 HE ARG 39 HE ARG 39 6.934 -3.709 -10.318 286 HH11 ARG 39 1HH1 ARG 39 8.884 -0.822 -10.105 287 HH12 ARG 39 2HH1 ARG 39 8.426 -0.246 -11.673 288 HH21 ARG 39 1HH2 ARG 39 6.330 -2.952 -12.380 289 HH22 ARG 39 2HH2 ARG 39 6.975 -1.456 -12.964 290 H GLU 40 H GLU 40 8.001 -4.714 -4.091 291 HA GLU 40 HA GLU 40 10.506 -5.436 -2.978 292 HB2 GLU 40 2HB GLU 40 8.281 -3.803 -2.257 293 HB3 GLU 40 1HB GLU 40 8.655 -4.857 -0.901 294 HG2 GLU 40 2HG GLU 40 9.813 -2.683 -0.818 295 HG3 GLU 40 1HG GLU 40 10.910 -4.062 -0.826 296 H PHE 41 H PHE 41 7.392 -6.983 -3.065 297 HA PHE 41 HA PHE 41 8.456 -9.113 -1.330 298 HB2 PHE 41 2HB PHE 41 5.574 -8.244 -1.622 299 HB3 PHE 41 1HB PHE 41 6.150 -9.570 -0.615 300 HD1 PHE 41 1HD PHE 41 6.729 -5.924 -1.144 301 HD2 PHE 41 2HD PHE 41 6.547 -9.162 1.606 302 HE1 PHE 41 1HE PHE 41 7.092 -4.357 0.719 303 HE2 PHE 41 2HE PHE 41 6.907 -7.603 3.474 304 HZ PHE 41 HZ PHE 41 7.181 -5.200 3.033 305 H ASN 42 H ASN 42 6.818 -11.140 -1.704 306 HA ASN 42 HA ASN 42 7.039 -11.693 -4.583 307 HB2 ASN 42 2HB ASN 42 7.345 -13.388 -2.140 308 HB3 ASN 42 1HB ASN 42 6.828 -14.145 -3.644 309 HD21 ASN 42 1HD2 ASN 42 9.289 -11.919 -2.403 310 HD22 ASN 42 2HD2 ASN 42 10.577 -12.524 -3.384 311 H ILE 43 H ILE 43 4.783 -10.291 -3.708 312 HA ILE 43 HA ILE 43 2.697 -12.308 -4.169 313 HB ILE 43 HB ILE 43 2.342 -9.875 -2.417 314 HG12 ILE 43 2HG1 ILE 43 1.987 -12.098 -0.825 315 HG13 ILE 43 1HG1 ILE 43 3.351 -12.566 -1.835 316 HG21 ILE 43 1HG2 ILE 43 0.529 -12.259 -2.684 317 HG22 ILE 43 2HG2 ILE 43 0.360 -10.818 -3.687 318 HG23 ILE 43 3HG2 ILE 43 0.184 -10.699 -1.937 319 HD11 ILE 43 3HD1 ILE 43 3.353 -10.939 0.453 320 HD12 ILE 43 1HD1 ILE 43 3.745 -9.899 -0.917 321 HD13 ILE 43 2HD1 ILE 43 4.708 -11.343 -0.602 322 HA PRO 44 HA PRO 44 1.748 -9.675 -7.608 323 HB2 PRO 44 2HB PRO 44 -0.666 -10.728 -8.257 324 HB3 PRO 44 1HB PRO 44 0.863 -11.542 -8.608 325 HG2 PRO 44 2HG PRO 44 -1.065 -12.010 -6.370 326 HG3 PRO 44 1HG PRO 44 -0.182 -13.192 -7.354 327 HD2 PRO 44 2HD PRO 44 0.602 -12.473 -4.851 328 HD3 PRO 44 1HD PRO 44 1.744 -12.974 -6.109 329 HA PRO 45 HA PRO 45 -0.874 -6.387 -6.305 330 HB2 PRO 45 2HB PRO 45 -2.301 -5.785 -8.559 331 HB3 PRO 45 1HB PRO 45 -0.612 -5.329 -8.315 332 HG2 PRO 45 2HG PRO 45 -1.751 -7.634 -9.846 333 HG3 PRO 45 1HG PRO 45 -0.412 -6.553 -10.278 334 HD2 PRO 45 2HD PRO 45 0.013 -9.026 -9.303 335 HD3 PRO 45 1HD PRO 45 1.092 -7.668 -8.920 336 H TYR 46 H TYR 46 -2.416 -9.147 -7.809 337 HA TYR 46 HA TYR 46 -5.032 -8.369 -6.803 338 HB2 TYR 46 2HB TYR 46 -5.888 -10.296 -7.989 339 HB3 TYR 46 1HB TYR 46 -4.816 -9.389 -9.050 340 HD1 TYR 46 2HD TYR 46 -2.551 -10.275 -9.562 341 HD2 TYR 46 1HD TYR 46 -5.403 -12.542 -7.366 342 HE1 TYR 46 2HE TYR 46 -1.257 -12.320 -10.003 343 HE2 TYR 46 1HE TYR 46 -4.117 -14.593 -7.801 344 HH TYR 46 HH TYR 46 -2.490 -15.455 -9.344 345 H LEU 47 H LEU 47 -2.478 -9.515 -5.272 346 HA LEU 47 HA LEU 47 -4.113 -11.157 -3.468 347 HB2 LEU 47 2HB LEU 47 -1.336 -11.800 -4.447 348 HB3 LEU 47 1HB LEU 47 -2.074 -12.575 -3.061 349 HG LEU 47 HG LEU 47 -3.111 -12.697 -5.893 350 HD11 LEU 47 1HD1 LEU 47 -1.247 -14.352 -4.345 351 HD12 LEU 47 2HD1 LEU 47 -1.459 -14.204 -6.088 352 HD13 LEU 47 3HD1 LEU 47 -2.536 -15.241 -5.155 353 HD21 LEU 47 3HD2 LEU 47 -4.675 -14.359 -5.010 354 HD22 LEU 47 1HD2 LEU 47 -4.911 -12.784 -4.254 355 HD23 LEU 47 2HD2 LEU 47 -4.070 -14.064 -3.381 356 H GLN 48 H GLN 48 -2.516 -8.370 -3.731 357 HA GLN 48 HA GLN 48 -1.342 -8.509 -1.039 358 HB2 GLN 48 2HB GLN 48 -0.809 -6.648 -3.352 359 HB3 GLN 48 1HB GLN 48 -0.210 -6.345 -1.727 360 HG2 GLN 48 2HG GLN 48 1.105 -8.345 -1.773 361 HG3 GLN 48 1HG GLN 48 0.394 -8.827 -3.312 362 HE21 GLN 48 1HE2 GLN 48 0.500 -6.633 -4.821 363 HE22 GLN 48 2HE2 GLN 48 2.129 -6.109 -5.051 364 H CYS 49 H CYS 49 -2.689 -7.822 0.479 365 HA CYS 49 HA CYS 49 -4.530 -5.617 -0.149 366 HB2 CYS 49 2HB CYS 49 -5.668 -7.607 0.634 367 HB3 CYS 49 1HB CYS 49 -4.616 -7.704 2.039 368 HG CYS 49 HG CYS 49 -6.967 -5.728 1.698 369 H ILE 50 H ILE 50 -3.442 -3.782 0.252 370 HA ILE 50 HA ILE 50 -1.591 -3.496 2.419 371 HB ILE 50 HB ILE 50 -2.792 -1.321 0.709 372 HG12 ILE 50 2HG1 ILE 50 -0.080 -2.178 0.058 373 HG13 ILE 50 1HG1 ILE 50 -1.260 -3.465 -0.167 374 HG21 ILE 50 1HG2 ILE 50 -1.714 -0.464 2.689 375 HG22 ILE 50 2HG2 ILE 50 -0.716 -0.112 1.278 376 HG23 ILE 50 3HG2 ILE 50 -0.275 -1.431 2.363 377 HD11 ILE 50 3HD1 ILE 50 -1.289 -0.739 -1.434 378 HD12 ILE 50 1HD1 ILE 50 -2.591 -1.919 -1.575 379 HD13 ILE 50 2HD1 ILE 50 -0.994 -2.288 -2.226 380 H ARG 51 H ARG 51 -1.751 -2.078 4.186 381 HA ARG 51 HA ARG 51 -4.387 -1.052 4.888 382 HB2 ARG 51 2HB ARG 51 -2.834 -2.763 6.826 383 HB3 ARG 51 1HB ARG 51 -4.463 -2.128 7.019 384 HG2 ARG 51 2HG ARG 51 -5.081 -3.536 4.996 385 HG3 ARG 51 1HG ARG 51 -3.523 -4.334 5.222 386 HD2 ARG 51 2HD ARG 51 -5.297 -4.051 7.584 387 HD3 ARG 51 1HD ARG 51 -5.747 -5.225 6.350 388 HE ARG 51 HE ARG 51 -3.157 -5.809 6.802 389 HH11 ARG 51 1HH1 ARG 51 -5.886 -5.384 8.937 390 HH12 ARG 51 2HH1 ARG 51 -5.282 -6.484 10.129 391 HH21 ARG 51 1HH2 ARG 51 -2.363 -7.257 8.369 392 HH22 ARG 51 2HH2 ARG 51 -3.282 -7.548 9.808 393 H TYR 52 H TYR 52 -4.340 0.686 6.320 394 HA TYR 52 HA TYR 52 -1.782 1.519 7.432 395 HB2 TYR 52 2HB TYR 52 -1.849 3.723 6.411 396 HB3 TYR 52 1HB TYR 52 -1.841 2.490 5.156 397 HD1 TYR 52 1HD TYR 52 -4.260 1.756 4.341 398 HD2 TYR 52 2HD TYR 52 -3.347 5.467 6.210 399 HE1 TYR 52 1HE TYR 52 -6.280 2.745 3.348 400 HE2 TYR 52 2HE TYR 52 -5.366 6.466 5.223 401 HH TYR 52 HH TYR 52 -6.852 5.635 2.835 402 H GLY 53 H GLY 53 -2.028 3.509 8.798 403 HA2 GLY 53 2HA GLY 53 -3.067 4.671 10.483 404 HA3 GLY 53 1HA GLY 53 -4.577 4.414 9.625 405 H PHE 54 H PHE 54 -4.581 4.436 12.336 406 HA PHE 54 HA PHE 54 -4.978 1.600 13.020 407 HB2 PHE 54 2HB PHE 54 -3.169 3.259 14.219 408 HB3 PHE 54 1HB PHE 54 -4.569 3.451 15.269 409 HD1 PHE 54 2HD PHE 54 -3.323 0.467 13.426 410 HD2 PHE 54 1HD PHE 54 -4.100 2.276 17.199 411 HE1 PHE 54 2HE PHE 54 -2.762 -1.648 14.551 412 HE2 PHE 54 1HE PHE 54 -3.540 0.165 18.331 413 HZ PHE 54 HZ PHE 54 -2.871 -1.801 17.007 414 HA PRO 55 HA PRO 55 -6.379 0.173 13.802 415 HB2 PRO 55 2HB PRO 55 -8.952 -0.199 12.413 416 HB3 PRO 55 1HB PRO 55 -8.307 -1.039 13.826 417 HG2 PRO 55 2HG PRO 55 -10.327 0.708 14.039 418 HG3 PRO 55 1HG PRO 55 -9.087 0.562 15.300 419 HD2 PRO 55 2HD PRO 55 -9.363 2.625 13.142 420 HD3 PRO 55 1HD PRO 55 -8.926 2.835 14.851 421 HA PRO 56 HA PRO 56 -4.981 0.122 9.620 422 HB2 PRO 56 2HB PRO 56 -4.837 -2.533 9.100 423 HB3 PRO 56 1HB PRO 56 -3.709 -1.708 10.181 424 HG2 PRO 56 2HG PRO 56 -6.128 -3.336 10.855 425 HG3 PRO 56 1HG PRO 56 -4.526 -3.344 11.615 426 HD2 PRO 56 2HD PRO 56 -6.641 -2.030 12.680 427 HD3 PRO 56 1HD PRO 56 -4.970 -1.458 12.862 428 H LYS 57 H LYS 57 -6.047 0.606 7.850 429 HA LYS 57 HA LYS 57 -8.693 -0.491 7.361 430 HB2 LYS 57 2HB LYS 57 -7.173 1.570 5.757 431 HB3 LYS 57 1HB LYS 57 -8.889 1.205 5.644 432 HG2 LYS 57 2HG LYS 57 -9.404 2.356 7.537 433 HG3 LYS 57 1HG LYS 57 -7.835 2.048 8.284 434 HD2 LYS 57 2HD LYS 57 -7.604 4.270 7.796 435 HD3 LYS 57 1HD LYS 57 -6.988 3.572 6.297 436 HE2 LYS 57 2HE LYS 57 -8.854 4.155 5.098 437 HE3 LYS 57 1HE LYS 57 -9.904 4.132 6.516 438 HZ1 LYS 57 3HZ LYS 57 -8.259 6.144 7.122 439 HZ2 LYS 57 1HZ LYS 57 -9.736 6.349 6.322 440 HZ3 LYS 57 2HZ LYS 57 -8.295 6.288 5.438 441 H GLU 58 H GLU 58 -9.144 -0.827 4.876 442 HA GLU 58 HA GLU 58 -7.278 -2.908 4.031 443 HB2 GLU 58 2HB GLU 58 -9.661 -3.477 4.190 444 HB3 GLU 58 1HB GLU 58 -10.042 -2.226 3.013 445 HG2 GLU 58 2HG GLU 58 -9.586 -3.569 1.310 446 HG3 GLU 58 1HG GLU 58 -8.036 -4.041 2.006 447 H LEU 59 H LEU 59 -8.071 0.318 3.273 448 HA LEU 59 HA LEU 59 -7.497 1.734 1.589 449 HB2 LEU 59 2HB LEU 59 -5.254 0.974 2.335 450 HB3 LEU 59 1HB LEU 59 -5.308 -0.288 1.123 451 HG LEU 59 HG LEU 59 -5.170 1.280 -0.661 452 HD11 LEU 59 1HD1 LEU 59 -5.616 3.399 1.433 453 HD12 LEU 59 2HD1 LEU 59 -6.681 2.974 0.093 454 HD13 LEU 59 3HD1 LEU 59 -5.121 3.730 -0.227 455 HD21 LEU 59 3HD2 LEU 59 -3.172 2.768 0.309 456 HD22 LEU 59 1HD2 LEU 59 -2.998 1.057 -0.075 457 HD23 LEU 59 2HD2 LEU 59 -3.279 1.561 1.591 458 H MET 60 H MET 60 -9.271 1.506 0.250 459 HA MET 60 HA MET 60 -9.266 -0.589 -1.761 460 HB2 MET 60 2HB MET 60 -11.300 1.596 -1.308 461 HB3 MET 60 1HB MET 60 -11.510 0.145 -2.278 462 HG2 MET 60 2HG MET 60 -11.228 -1.206 -0.226 463 HG3 MET 60 1HG MET 60 -11.175 0.289 0.704 464 HE1 MET 60 3HE MET 60 -13.948 -1.861 1.475 465 HE2 MET 60 1HE MET 60 -14.400 -0.255 2.044 466 HE3 MET 60 2HE MET 60 -12.715 -0.772 2.110 467 HA PRO 61 HA PRO 61 -7.951 1.871 -5.160 468 HB2 PRO 61 2HB PRO 61 -10.069 0.975 -6.924 469 HB3 PRO 61 1HB PRO 61 -8.378 0.478 -6.890 470 HG2 PRO 61 2HG PRO 61 -10.455 -1.156 -6.186 471 HG3 PRO 61 1HG PRO 61 -8.806 -1.332 -5.562 472 HD2 PRO 61 2HD PRO 61 -11.205 -0.107 -4.266 473 HD3 PRO 61 1HD PRO 61 -9.921 -1.106 -3.556 474 HA PRO 62 HA PRO 62 -10.366 5.577 -5.347 475 HB2 PRO 62 2HB PRO 62 -9.167 6.773 -7.462 476 HB3 PRO 62 1HB PRO 62 -8.412 6.663 -5.871 477 HG2 PRO 62 2HG PRO 62 -7.962 4.986 -8.306 478 HG3 PRO 62 1HG PRO 62 -6.776 5.639 -7.161 479 HD2 PRO 62 2HD PRO 62 -7.631 3.067 -7.085 480 HD3 PRO 62 1HD PRO 62 -7.143 3.961 -5.632 481 H GLN 63 H GLN 63 -11.207 7.029 -7.372 482 HA GLN 63 HA GLN 63 -12.476 5.266 -9.331 483 HB2 GLN 63 2HB GLN 63 -13.813 6.678 -7.154 484 HB3 GLN 63 1HB GLN 63 -14.483 7.079 -8.730 485 HG2 GLN 63 2HG GLN 63 -15.769 5.283 -8.182 486 HG3 GLN 63 1HG GLN 63 -14.463 4.478 -9.050 487 HE21 GLN 63 1HE2 GLN 63 -14.964 2.553 -7.934 488 HE22 GLN 63 2HE2 GLN 63 -14.464 2.315 -6.297 489 H ALA 64 H ALA 64 -14.045 7.018 -10.664 490 HA ALA 64 HA ALA 64 -12.289 8.391 -12.317 491 HB1 ALA 64 1HB ALA 64 -14.409 7.856 -13.187 492 HB2 ALA 64 2HB ALA 64 -14.373 9.617 -13.096 493 HB3 ALA 64 3HB ALA 64 -15.247 8.689 -11.877 494 H GLY 65 H GLY 65 -10.915 9.878 -11.509 495 HA2 GLY 65 2HA GLY 65 -10.832 12.339 -11.234 496 HA3 GLY 65 1HA GLY 65 -12.110 12.151 -10.042 497 H MET 66 H MET 66 -10.866 9.709 -8.939 498 HA MET 66 HA MET 66 -8.821 11.056 -7.325 499 HB2 MET 66 2HB MET 66 -10.747 8.830 -6.801 500 HB3 MET 66 1HB MET 66 -9.262 8.911 -5.863 501 HG2 MET 66 2HG MET 66 -10.112 11.455 -5.632 502 HG3 MET 66 1HG MET 66 -11.655 10.617 -5.780 503 HE1 MET 66 3HE MET 66 -12.543 9.456 -2.659 504 HE2 MET 66 1HE MET 66 -12.844 10.394 -4.122 505 HE3 MET 66 2HE MET 66 -12.267 11.198 -2.661 506 H GLU 67 H GLU 67 -9.203 8.646 -9.709 507 HA GLU 67 HA GLU 67 -7.233 6.795 -9.097 508 HB2 GLU 67 2HB GLU 67 -7.124 6.327 -11.488 509 HB3 GLU 67 1HB GLU 67 -8.792 6.556 -10.981 510 HG2 GLU 67 2HG GLU 67 -8.690 8.873 -11.832 511 HG3 GLU 67 1HG GLU 67 -7.062 8.549 -12.426 512 H LYS 68 H LYS 68 -6.936 10.057 -10.288 513 HA LYS 68 HA LYS 68 -4.147 9.791 -10.971 514 HB2 LYS 68 2HB LYS 68 -5.833 12.284 -10.687 515 HB3 LYS 68 1HB LYS 68 -4.242 12.189 -11.429 516 HG2 LYS 68 2HG LYS 68 -5.038 11.310 -13.351 517 HG3 LYS 68 1HG LYS 68 -6.310 10.397 -12.536 518 HD2 LYS 68 2HD LYS 68 -6.570 13.338 -12.464 519 HD3 LYS 68 1HD LYS 68 -6.770 12.580 -14.045 520 HE2 LYS 68 2HE LYS 68 -8.181 11.289 -11.799 521 HE3 LYS 68 1HE LYS 68 -8.769 12.885 -12.266 522 HZ1 LYS 68 3HZ LYS 68 -9.840 10.960 -13.422 523 HZ2 LYS 68 1HZ LYS 68 -8.367 10.682 -14.208 524 HZ3 LYS 68 2HZ LYS 68 -9.193 12.137 -14.451 525 H GLU 69 H GLU 69 -5.928 10.361 -8.120 526 HA GLU 69 HA GLU 69 -3.930 11.931 -6.775 527 HB2 GLU 69 2HB GLU 69 -6.561 10.755 -6.087 528 HB3 GLU 69 1HB GLU 69 -5.441 10.988 -4.751 529 HG2 GLU 69 2HG GLU 69 -5.625 13.306 -6.500 530 HG3 GLU 69 1HG GLU 69 -7.165 12.864 -5.764 531 HA PRO 70 HA PRO 70 -1.379 8.558 -5.489 532 HB2 PRO 70 2HB PRO 70 -0.067 9.705 -3.433 533 HB3 PRO 70 1HB PRO 70 0.224 10.169 -5.113 534 HG2 PRO 70 2HG PRO 70 -1.449 11.527 -3.036 535 HG3 PRO 70 1HG PRO 70 -0.331 12.240 -4.212 536 HD2 PRO 70 2HD PRO 70 -3.036 12.185 -4.556 537 HD3 PRO 70 1HD PRO 70 -1.881 12.183 -5.905 538 H VAL 71 H VAL 71 -0.744 7.343 -3.480 539 HA VAL 71 HA VAL 71 -3.062 6.437 -2.144 540 HB VAL 71 HB VAL 71 -1.356 5.184 -0.691 541 HG11 VAL 71 1HG1 VAL 71 -0.663 4.317 -3.356 542 HG12 VAL 71 2HG1 VAL 71 -2.375 4.724 -3.241 543 HG13 VAL 71 3HG1 VAL 71 -1.677 3.533 -2.145 544 HG21 VAL 71 3HG2 VAL 71 0.657 5.805 -2.781 545 HG22 VAL 71 1HG2 VAL 71 0.880 5.315 -1.102 546 HG23 VAL 71 2HG2 VAL 71 0.426 6.975 -1.482 547 HA PRO 72 HA PRO 72 -3.283 8.898 1.520 548 HB2 PRO 72 2HB PRO 72 -3.801 7.096 3.469 549 HB3 PRO 72 1HB PRO 72 -4.982 7.509 2.224 550 HG2 PRO 72 2HG PRO 72 -3.109 5.171 2.340 551 HG3 PRO 72 1HG PRO 72 -4.841 5.188 1.960 552 HD2 PRO 72 2HD PRO 72 -2.983 5.081 0.030 553 HD3 PRO 72 1HD PRO 72 -4.491 5.990 -0.186 554 H LEU 73 H LEU 73 -0.728 6.789 1.072 555 HA LEU 73 HA LEU 73 0.505 7.374 3.658 556 HB2 LEU 73 2HB LEU 73 1.859 5.677 1.631 557 HB3 LEU 73 1HB LEU 73 1.805 5.512 3.377 558 HG LEU 73 HG LEU 73 -0.613 4.965 1.672 559 HD11 LEU 73 1HD1 LEU 73 1.246 3.567 0.877 560 HD12 LEU 73 2HD1 LEU 73 -0.041 2.633 1.639 561 HD13 LEU 73 3HD1 LEU 73 1.456 2.952 2.517 562 HD21 LEU 73 3HD2 LEU 73 0.216 4.062 4.425 563 HD22 LEU 73 1HD2 LEU 73 -1.271 3.603 3.595 564 HD23 LEU 73 2HD2 LEU 73 -0.997 5.285 4.051 565 H GLN 74 H GLN 74 2.468 8.424 3.851 566 HA GLN 74 HA GLN 74 3.529 9.688 1.418 567 HB2 GLN 74 2HB GLN 74 2.966 10.994 4.079 568 HB3 GLN 74 1HB GLN 74 3.962 11.729 2.831 569 HG2 GLN 74 2HG GLN 74 1.988 12.705 2.323 570 HG3 GLN 74 1HG GLN 74 1.816 11.240 1.358 571 HE21 GLN 74 1HE2 GLN 74 -0.149 10.454 1.484 572 HE22 GLN 74 2HE2 GLN 74 -1.150 10.419 2.891 573 H HIS 75 H HIS 75 5.683 10.914 2.147 574 HA HIS 75 HA HIS 75 7.598 8.961 2.613 575 HB2 HIS 75 2HB HIS 75 7.849 11.347 1.644 576 HB3 HIS 75 1HB HIS 75 8.075 11.845 3.317 577 HD1 HIS 75 1HD HIS 75 9.683 8.998 3.843 578 HD2 HIS 75 2HD HIS 75 10.561 12.050 1.164 579 HE1 HIS 75 1HE HIS 75 12.141 8.782 3.360 580 HE2 HIS 75 2HE HIS 75 12.630 10.580 1.665 581 H GLY 76 H GLY 76 7.740 7.754 4.392 582 HA2 GLY 76 2HA GLY 76 8.659 7.633 6.620 583 HA3 GLY 76 1HA GLY 76 7.865 9.156 6.980 584 H ASP 77 H ASP 77 5.833 7.123 5.204 585 HA ASP 77 HA ASP 77 4.269 6.586 7.601 586 HB2 ASP 77 2HB ASP 77 3.709 6.889 4.739 587 HB3 ASP 77 1HB ASP 77 2.821 5.570 5.493 588 H ARG 78 H ARG 78 2.961 4.384 7.325 589 HA ARG 78 HA ARG 78 4.725 2.211 6.502 590 HB2 ARG 78 2HB ARG 78 4.105 1.086 8.773 591 HB3 ARG 78 1HB ARG 78 5.440 2.227 8.708 592 HG2 ARG 78 2HG ARG 78 2.912 3.535 9.264 593 HG3 ARG 78 1HG ARG 78 3.303 2.289 10.452 594 HD2 ARG 78 2HD ARG 78 5.548 3.323 10.709 595 HD3 ARG 78 1HD ARG 78 5.032 4.620 9.632 596 HE ARG 78 HE ARG 78 3.135 4.638 11.552 597 HH11 ARG 78 1HH1 ARG 78 6.622 4.704 11.665 598 HH12 ARG 78 2HH1 ARG 78 6.682 5.615 13.136 599 HH21 ARG 78 1HH2 ARG 78 3.211 5.837 13.486 600 HH22 ARG 78 2HH2 ARG 78 4.745 6.259 14.171 601 H ILE 79 H ILE 79 3.669 0.274 6.071 602 HA ILE 79 HA ILE 79 0.757 0.254 6.364 603 HB ILE 79 HB ILE 79 0.779 -0.745 3.940 604 HG12 ILE 79 2HG1 ILE 79 3.111 1.175 3.807 605 HG13 ILE 79 1HG1 ILE 79 3.262 -0.578 3.737 606 HG21 ILE 79 1HG2 ILE 79 1.014 2.227 4.285 607 HG22 ILE 79 2HG2 ILE 79 -0.385 1.295 4.816 608 HG23 ILE 79 3HG2 ILE 79 0.044 1.342 3.107 609 HD11 ILE 79 3HD1 ILE 79 2.111 -0.672 1.664 610 HD12 ILE 79 1HD1 ILE 79 3.339 0.586 1.533 611 HD13 ILE 79 2HD1 ILE 79 1.649 1.026 1.775 612 H THR 80 H THR 80 -0.192 -1.866 5.786 613 HA THR 80 HA THR 80 1.690 -4.085 6.206 614 HB THR 80 HB THR 80 -1.023 -3.791 7.505 615 HG1 THR 80 1HG THR 80 0.102 -3.480 9.381 616 HG21 THR 80 3HG2 THR 80 1.051 -5.942 7.852 617 HG22 THR 80 1HG2 THR 80 -0.513 -6.124 7.058 618 HG23 THR 80 2HG2 THR 80 -0.437 -5.776 8.785 619 H ILE 81 H ILE 81 1.482 -5.687 4.789 620 HA ILE 81 HA ILE 81 -0.808 -5.624 2.962 621 HB ILE 81 HB ILE 81 1.746 -7.186 2.619 622 HG12 ILE 81 2HG1 ILE 81 2.329 -4.839 2.772 623 HG13 ILE 81 1HG1 ILE 81 2.446 -5.354 1.092 624 HG21 ILE 81 1HG2 ILE 81 0.274 -8.113 1.133 625 HG22 ILE 81 2HG2 ILE 81 0.929 -6.803 0.151 626 HG23 ILE 81 3HG2 ILE 81 -0.640 -6.617 0.934 627 HD11 ILE 81 3HD1 ILE 81 1.189 -3.609 0.575 628 HD12 ILE 81 1HD1 ILE 81 0.843 -3.279 2.273 629 HD13 ILE 81 2HD1 ILE 81 -0.158 -4.421 1.374 630 H GLU 82 H GLU 82 -1.857 -7.573 2.346 631 HA GLU 82 HA GLU 82 -1.468 -9.845 4.161 632 HB2 GLU 82 2HB GLU 82 -3.327 -8.957 5.202 633 HB3 GLU 82 1HB GLU 82 -3.966 -8.271 3.719 634 HG2 GLU 82 2HG GLU 82 -4.683 -10.453 2.971 635 HG3 GLU 82 1HG GLU 82 -3.945 -11.207 4.382 636 H ILE 83 H ILE 83 -1.029 -11.571 2.987 637 HA ILE 83 HA ILE 83 -1.414 -11.699 0.192 638 HB ILE 83 HB ILE 83 -0.818 -13.930 2.140 639 HG12 ILE 83 2HG1 ILE 83 1.445 -13.371 0.615 640 HG13 ILE 83 1HG1 ILE 83 0.783 -11.783 0.988 641 HG21 ILE 83 1HG2 ILE 83 -0.587 -13.851 -0.866 642 HG22 ILE 83 2HG2 ILE 83 -1.728 -14.812 0.075 643 HG23 ILE 83 3HG2 ILE 83 -0.001 -15.154 0.168 644 HD11 ILE 83 3HD1 ILE 83 2.176 -13.670 2.690 645 HD12 ILE 83 1HD1 ILE 83 0.665 -13.103 3.401 646 HD13 ILE 83 2HD1 ILE 83 1.894 -11.941 2.902 647 H LEU 84 H LEU 84 -3.370 -11.764 -0.693 648 HA LEU 84 HA LEU 84 -5.642 -12.914 0.593 649 HB2 LEU 84 2HB LEU 84 -5.385 -12.169 -2.315 650 HB3 LEU 84 1HB LEU 84 -6.861 -12.308 -1.380 651 HG LEU 84 HG LEU 84 -4.740 -10.179 -1.113 652 HD11 LEU 84 1HD1 LEU 84 -7.602 -10.164 -2.046 653 HD12 LEU 84 2HD1 LEU 84 -6.157 -9.753 -2.972 654 HD13 LEU 84 3HD1 LEU 84 -6.690 -8.703 -1.658 655 HD21 LEU 84 3HD2 LEU 84 -6.712 -9.309 0.470 656 HD22 LEU 84 1HD2 LEU 84 -5.351 -10.258 1.067 657 HD23 LEU 84 2HD2 LEU 84 -6.891 -11.045 0.724 658 H LYS 85 H LYS 85 -7.055 -14.494 -0.710 659 HA LYS 85 HA LYS 85 -5.400 -16.824 -1.302 660 HB2 LYS 85 2HB LYS 85 -8.195 -16.393 -0.383 661 HB3 LYS 85 1HB LYS 85 -7.880 -17.827 -1.351 662 HG2 LYS 85 2HG LYS 85 -6.464 -17.092 1.203 663 HG3 LYS 85 1HG LYS 85 -7.747 -18.291 1.040 664 HD2 LYS 85 2HD LYS 85 -6.166 -19.807 0.638 665 HD3 LYS 85 1HD LYS 85 -5.861 -18.987 -0.894 666 HE2 LYS 85 2HE LYS 85 -3.762 -19.028 0.090 667 HE3 LYS 85 1HE LYS 85 -4.358 -17.423 0.512 668 HZ1 LYS 85 3HZ LYS 85 -4.286 -19.826 2.252 669 HZ2 LYS 85 1HZ LYS 85 -5.085 -18.393 2.667 670 HZ3 LYS 85 2HZ LYS 85 -3.409 -18.393 2.447 671 H GLY 86 H GLY 86 -4.733 -16.620 -3.379 672 HA2 GLY 86 2HA GLY 86 -6.426 -15.714 -5.497 673 HA3 GLY 86 1HA GLY 86 -4.841 -16.450 -5.677 Start of MODEL 9 1 H1 LYS 6 H LYS 6 11.967 14.537 -5.036 2 HA LYS 6 HA LYS 6 12.318 12.319 -6.906 3 HB2 LYS 6 2HB LYS 6 13.968 12.754 -4.610 4 HB3 LYS 6 1HB LYS 6 12.989 11.321 -4.331 5 HG2 LYS 6 2HG LYS 6 14.444 10.169 -5.536 6 HG3 LYS 6 1HG LYS 6 13.925 11.083 -6.954 7 HD2 LYS 6 2HD LYS 6 15.618 12.782 -6.485 8 HD3 LYS 6 1HD LYS 6 16.128 11.885 -5.053 9 HE2 LYS 6 2HE LYS 6 17.680 11.224 -6.641 10 HE3 LYS 6 1HE LYS 6 16.488 9.927 -6.706 11 HZ1 LYS 6 3HZ LYS 6 16.684 10.374 -8.906 12 HZ2 LYS 6 1HZ LYS 6 17.088 12.001 -8.674 13 HZ3 LYS 6 2HZ LYS 6 15.478 11.502 -8.542 14 H GLU 7 H GLU 7 11.581 10.253 -5.231 15 HA GLU 7 HA GLU 7 8.771 10.921 -4.747 16 HB2 GLU 7 2HB GLU 7 8.646 8.321 -4.561 17 HB3 GLU 7 1HB GLU 7 8.802 9.073 -6.141 18 HG2 GLU 7 2HG GLU 7 11.274 8.270 -4.696 19 HG3 GLU 7 1HG GLU 7 10.282 7.022 -5.447 20 H LYS 8 H LYS 8 7.869 9.218 -2.956 21 HA LYS 8 HA LYS 8 9.355 9.917 -0.534 22 HB2 LYS 8 2HB LYS 8 7.299 9.644 0.664 23 HB3 LYS 8 1HB LYS 8 6.970 10.630 -0.750 24 HG2 LYS 8 2HG LYS 8 6.538 7.919 -1.457 25 HG3 LYS 8 1HG LYS 8 5.720 8.222 0.076 26 HD2 LYS 8 2HD LYS 8 4.880 10.382 -1.129 27 HD3 LYS 8 1HD LYS 8 5.274 9.484 -2.596 28 HE2 LYS 8 2HE LYS 8 3.715 8.039 -0.545 29 HE3 LYS 8 1HE LYS 8 2.885 9.357 -1.371 30 HZ1 LYS 8 3HZ LYS 8 4.351 7.576 -3.111 31 HZ2 LYS 8 1HZ LYS 8 2.789 8.207 -3.273 32 HZ3 LYS 8 2HZ LYS 8 3.057 6.849 -2.301 33 H LYS 9 H LYS 9 9.476 8.361 1.202 34 HA LYS 9 HA LYS 9 9.642 5.595 0.207 35 HB2 LYS 9 2HB LYS 9 11.844 6.478 0.733 36 HB3 LYS 9 1HB LYS 9 11.297 6.975 2.328 37 HG2 LYS 9 2HG LYS 9 10.836 4.155 1.873 38 HG3 LYS 9 1HG LYS 9 12.533 4.588 1.662 39 HD2 LYS 9 2HD LYS 9 11.171 5.739 4.017 40 HD3 LYS 9 1HD LYS 9 11.441 3.995 4.044 41 HE2 LYS 9 2HE LYS 9 13.371 4.823 5.024 42 HE3 LYS 9 1HE LYS 9 13.855 4.599 3.343 43 HZ1 LYS 9 3HZ LYS 9 14.622 6.715 4.055 44 HZ2 LYS 9 1HZ LYS 9 13.105 7.144 4.669 45 HZ3 LYS 9 2HZ LYS 9 13.329 6.990 3.000 46 H ILE 10 H ILE 10 8.528 4.054 1.257 47 HA ILE 10 HA ILE 10 7.415 4.694 3.896 48 HB ILE 10 HB ILE 10 5.588 3.129 2.227 49 HG12 ILE 10 2HG1 ILE 10 6.334 5.951 1.459 50 HG13 ILE 10 1HG1 ILE 10 6.210 4.537 0.419 51 HG21 ILE 10 1HG2 ILE 10 3.971 4.760 3.220 52 HG22 ILE 10 2HG2 ILE 10 5.338 5.544 4.011 53 HG23 ILE 10 3HG2 ILE 10 4.935 3.872 4.399 54 HD11 ILE 10 3HD1 ILE 10 3.778 4.549 0.728 55 HD12 ILE 10 1HD1 ILE 10 4.375 6.051 0.022 56 HD13 ILE 10 2HD1 ILE 10 3.925 5.994 1.728 57 H ARG 11 H ARG 11 6.559 2.756 5.031 58 HA ARG 11 HA ARG 11 8.345 0.488 4.528 59 HB2 ARG 11 2HB ARG 11 8.418 1.520 6.758 60 HB3 ARG 11 1HB ARG 11 6.707 1.178 6.975 61 HG2 ARG 11 2HG ARG 11 7.286 -1.263 6.692 62 HG3 ARG 11 1HG ARG 11 8.979 -0.780 6.813 63 HD2 ARG 11 2HD ARG 11 6.842 -0.275 8.882 64 HD3 ARG 11 1HD ARG 11 8.087 -1.521 8.971 65 HE ARG 11 HE ARG 11 9.211 1.075 8.639 66 HH11 ARG 11 1HH1 ARG 11 7.815 -1.081 11.001 67 HH12 ARG 11 2HH1 ARG 11 8.652 -0.363 12.335 68 HH21 ARG 11 1HH2 ARG 11 10.316 2.019 10.395 69 HH22 ARG 11 2HH2 ARG 11 10.071 1.396 11.992 70 H ILE 12 H ILE 12 7.575 -1.678 4.654 71 HA ILE 12 HA ILE 12 4.680 -2.022 4.304 72 HB ILE 12 HB ILE 12 6.751 -3.339 2.544 73 HG12 ILE 12 2HG1 ILE 12 4.647 -1.441 1.559 74 HG13 ILE 12 1HG1 ILE 12 6.154 -0.808 2.214 75 HG21 ILE 12 1HG2 ILE 12 4.638 -4.009 1.280 76 HG22 ILE 12 2HG2 ILE 12 3.766 -3.556 2.744 77 HG23 ILE 12 3HG2 ILE 12 4.972 -4.841 2.799 78 HD11 ILE 12 3HD1 ILE 12 7.422 -2.016 0.550 79 HD12 ILE 12 1HD1 ILE 12 6.194 -1.021 -0.229 80 HD13 ILE 12 2HD1 ILE 12 5.948 -2.758 -0.070 81 H THR 13 H THR 13 3.867 -4.027 4.949 82 HA THR 13 HA THR 13 5.695 -6.043 5.931 83 HB THR 13 HB THR 13 3.646 -5.178 7.907 84 HG1 THR 13 1HG THR 13 6.140 -3.892 7.495 85 HG21 THR 13 3HG2 THR 13 5.884 -5.681 9.284 86 HG22 THR 13 1HG2 THR 13 6.151 -6.706 7.875 87 HG23 THR 13 2HG2 THR 13 4.698 -6.914 8.852 88 H THR 14 H THR 14 4.937 -7.871 5.108 89 HA THR 14 HA THR 14 2.125 -8.130 4.490 90 HB THR 14 HB THR 14 2.675 -9.851 3.098 91 HG1 THR 14 1HG THR 14 4.547 -10.534 5.060 92 HG21 THR 14 3HG2 THR 14 4.108 -7.883 2.533 93 HG22 THR 14 1HG2 THR 14 4.681 -9.441 1.937 94 HG23 THR 14 2HG2 THR 14 5.433 -8.709 3.355 95 H ASN 15 H ASN 15 0.707 -9.517 5.336 96 HA ASN 15 HA ASN 15 0.734 -10.092 8.023 97 HB2 ASN 15 2HB ASN 15 -1.331 -11.033 7.688 98 HB3 ASN 15 1HB ASN 15 -1.162 -10.177 6.167 99 HD21 ASN 15 1HD2 ASN 15 -0.028 -11.528 4.441 100 HD22 ASN 15 2HD2 ASN 15 -0.592 -13.153 4.278 101 H ASP 16 H ASP 16 2.157 -11.912 5.430 102 HA ASP 16 HA ASP 16 2.315 -14.432 6.640 103 HB2 ASP 16 2HB ASP 16 3.589 -13.065 4.394 104 HB3 ASP 16 1HB ASP 16 4.658 -14.224 5.180 105 H GLY 17 H GLY 17 3.950 -11.485 7.330 106 HA2 GLY 17 2HA GLY 17 4.966 -11.306 9.531 107 HA3 GLY 17 1HA GLY 17 5.618 -12.919 9.294 108 H ARG 18 H ARG 18 5.643 -10.507 6.745 109 HA ARG 18 HA ARG 18 8.528 -10.118 7.224 110 HB2 ARG 18 2HB ARG 18 9.113 -10.582 5.023 111 HB3 ARG 18 1HB ARG 18 7.903 -11.808 5.371 112 HG2 ARG 18 2HG ARG 18 6.217 -10.338 4.265 113 HG3 ARG 18 1HG ARG 18 7.541 -9.286 3.777 114 HD2 ARG 18 2HD ARG 18 6.919 -10.856 2.000 115 HD3 ARG 18 1HD ARG 18 8.570 -11.104 2.560 116 HE ARG 18 HE ARG 18 7.951 -13.144 3.466 117 HH11 ARG 18 1HH1 ARG 18 5.141 -11.454 2.259 118 HH12 ARG 18 2HH1 ARG 18 4.135 -12.862 2.282 119 HH21 ARG 18 1HH2 ARG 18 6.629 -14.991 3.492 120 HH22 ARG 18 2HH2 ARG 18 4.981 -14.872 2.977 121 H GLN 19 H GLN 19 9.437 -8.184 6.239 122 HA GLN 19 HA GLN 19 7.486 -6.154 5.453 123 HB2 GLN 19 2HB GLN 19 9.034 -4.608 7.016 124 HB3 GLN 19 1HB GLN 19 7.545 -5.354 7.573 125 HG2 GLN 19 2HG GLN 19 8.611 -6.769 8.957 126 HG3 GLN 19 1HG GLN 19 9.970 -6.993 7.857 127 HE21 GLN 19 1HE2 GLN 19 9.628 -6.285 10.807 128 HE22 GLN 19 2HE2 GLN 19 10.684 -4.936 11.027 129 H SER 20 H SER 20 8.410 -4.282 4.441 130 HA SER 20 HA SER 20 11.185 -4.183 3.773 131 HB2 SER 20 2HB SER 20 9.778 -5.942 2.214 132 HB3 SER 20 1HB SER 20 9.657 -4.456 1.273 133 HG SER 20 HG SER 20 12.035 -4.340 1.642 134 H MET 21 H MET 21 11.752 -2.263 2.665 135 HA MET 21 HA MET 21 9.689 -0.197 2.827 136 HB2 MET 21 2HB MET 21 11.415 1.397 3.011 137 HB3 MET 21 1HB MET 21 11.945 0.038 3.987 138 HG2 MET 21 2HG MET 21 12.838 0.261 1.146 139 HG3 MET 21 1HG MET 21 13.607 1.235 2.395 140 HE1 MET 21 3HE MET 21 14.430 -1.897 0.446 141 HE2 MET 21 1HE MET 21 12.761 -2.109 0.976 142 HE3 MET 21 2HE MET 21 14.019 -3.194 1.569 143 H VAL 22 H VAL 22 9.571 1.453 1.180 144 HA VAL 22 HA VAL 22 10.488 0.621 -1.471 145 HB VAL 22 HB VAL 22 8.161 1.259 -2.330 146 HG11 VAL 22 1HG1 VAL 22 7.286 -1.040 -1.888 147 HG12 VAL 22 2HG1 VAL 22 8.649 -1.279 -0.795 148 HG13 VAL 22 3HG1 VAL 22 8.936 -0.986 -2.510 149 HG21 VAL 22 3HG2 VAL 22 7.386 0.568 0.494 150 HG22 VAL 22 1HG2 VAL 22 6.309 0.997 -0.834 151 HG23 VAL 22 2HG2 VAL 22 7.403 2.206 -0.162 152 H THR 23 H THR 23 9.850 2.344 -3.126 153 HA THR 23 HA THR 23 10.243 5.010 -1.928 154 HB THR 23 HB THR 23 12.180 4.149 -3.240 155 HG1 THR 23 1HG THR 23 11.721 6.407 -3.134 156 HG21 THR 23 3HG2 THR 23 10.883 4.638 -5.812 157 HG22 THR 23 1HG2 THR 23 10.374 3.159 -4.996 158 HG23 THR 23 2HG2 THR 23 12.081 3.429 -5.347 159 H LEU 24 H LEU 24 7.707 4.156 -2.099 160 HA LEU 24 HA LEU 24 6.151 4.323 -4.283 161 HB2 LEU 24 2HB LEU 24 5.719 4.482 -1.575 162 HB3 LEU 24 1HB LEU 24 5.102 6.021 -2.142 163 HG LEU 24 HG LEU 24 3.541 4.917 -3.617 164 HD11 LEU 24 1HD1 LEU 24 5.008 2.439 -2.783 165 HD12 LEU 24 2HD1 LEU 24 4.655 3.024 -4.410 166 HD13 LEU 24 3HD1 LEU 24 3.359 2.374 -3.405 167 HD21 LEU 24 3HD2 LEU 24 3.012 5.220 -1.173 168 HD22 LEU 24 1HD2 LEU 24 3.412 3.516 -0.958 169 HD23 LEU 24 2HD2 LEU 24 2.074 3.982 -2.008 170 H LYS 25 H LYS 25 5.670 5.729 -5.840 171 HA LYS 25 HA LYS 25 7.006 8.233 -5.999 172 HB2 LYS 25 2HB LYS 25 5.594 6.509 -7.763 173 HB3 LYS 25 1HB LYS 25 4.859 8.102 -7.881 174 HG2 LYS 25 2HG LYS 25 7.612 8.562 -7.911 175 HG3 LYS 25 1HG LYS 25 7.358 7.151 -8.941 176 HD2 LYS 25 2HD LYS 25 7.234 9.256 -10.208 177 HD3 LYS 25 1HD LYS 25 5.710 8.368 -10.246 178 HE2 LYS 25 2HE LYS 25 4.620 10.074 -9.323 179 HE3 LYS 25 1HE LYS 25 5.778 10.163 -7.995 180 HZ1 LYS 25 3HZ LYS 25 6.216 12.157 -8.901 181 HZ2 LYS 25 1HZ LYS 25 5.627 11.734 -10.430 182 HZ3 LYS 25 2HZ LYS 25 7.186 11.269 -9.965 183 H SER 26 H SER 26 6.168 10.321 -5.956 184 HA SER 26 HA SER 26 4.354 10.957 -3.979 185 HB2 SER 26 2HB SER 26 5.985 12.385 -5.696 186 HB3 SER 26 1HB SER 26 4.367 12.926 -6.143 187 HG SER 26 HG SER 26 5.487 12.931 -3.533 188 H SER 27 H SER 27 3.771 10.524 -7.438 189 HA SER 27 HA SER 27 0.900 10.934 -7.009 190 HB2 SER 27 2HB SER 27 2.009 10.397 -9.724 191 HB3 SER 27 1HB SER 27 0.714 11.489 -9.233 192 HG SER 27 HG SER 27 2.202 12.960 -9.442 193 H THR 28 H THR 28 2.055 8.607 -5.928 194 HA THR 28 HA THR 28 1.422 6.430 -7.747 195 HB THR 28 HB THR 28 2.577 6.564 -4.968 196 HG1 THR 28 1HG THR 28 3.588 5.435 -7.359 197 HG21 THR 28 3HG2 THR 28 1.214 4.301 -6.169 198 HG22 THR 28 1HG2 THR 28 1.789 4.538 -4.520 199 HG23 THR 28 2HG2 THR 28 2.895 3.956 -5.764 200 H THR 29 H THR 29 -0.699 6.084 -8.017 201 HA THR 29 HA THR 29 -2.588 6.474 -5.871 202 HB THR 29 HB THR 29 -3.289 7.043 -8.110 203 HG1 THR 29 1HG THR 29 -4.652 4.642 -7.529 204 HG21 THR 29 3HG2 THR 29 -2.822 5.884 -9.928 205 HG22 THR 29 1HG2 THR 29 -3.593 4.441 -9.270 206 HG23 THR 29 2HG2 THR 29 -1.894 4.769 -8.924 207 H PHE 30 H PHE 30 -4.269 4.641 -5.558 208 HA PHE 30 HA PHE 30 -3.178 2.573 -4.152 209 HB2 PHE 30 2HB PHE 30 -5.592 3.218 -4.182 210 HB3 PHE 30 1HB PHE 30 -5.755 2.376 -5.720 211 HD1 PHE 30 2HD PHE 30 -4.437 1.716 -2.290 212 HD2 PHE 30 1HD PHE 30 -6.585 0.245 -5.656 213 HE1 PHE 30 2HE PHE 30 -4.875 -0.385 -1.087 214 HE2 PHE 30 1HE PHE 30 -7.027 -1.858 -4.459 215 HZ PHE 30 HZ PHE 30 -6.171 -2.176 -2.172 216 H PHE 31 H PHE 31 -3.624 2.764 -7.607 217 HA PHE 31 HA PHE 31 -3.174 -0.013 -8.119 218 HB2 PHE 31 2HB PHE 31 -2.990 2.392 -9.940 219 HB3 PHE 31 1HB PHE 31 -2.906 0.720 -10.481 220 HD1 PHE 31 1HD PHE 31 -4.954 -0.745 -9.449 221 HD2 PHE 31 2HD PHE 31 -4.998 3.430 -10.269 222 HE1 PHE 31 1HE PHE 31 -7.407 -0.812 -9.636 223 HE2 PHE 31 2HE PHE 31 -7.451 3.372 -10.456 224 HZ PHE 31 HZ PHE 31 -8.658 1.249 -10.139 225 H GLU 32 H GLU 32 -1.173 2.911 -8.477 226 HA GLU 32 HA GLU 32 1.166 1.632 -9.323 227 HB2 GLU 32 2HB GLU 32 0.509 4.263 -8.109 228 HB3 GLU 32 1HB GLU 32 2.192 3.757 -8.050 229 HG2 GLU 32 2HG GLU 32 1.287 3.267 -10.671 230 HG3 GLU 32 1HG GLU 32 0.718 4.874 -10.222 231 H LEU 33 H LEU 33 -0.171 2.150 -6.131 232 HA LEU 33 HA LEU 33 2.154 1.427 -4.668 233 HB2 LEU 33 2HB LEU 33 0.477 2.689 -3.548 234 HB3 LEU 33 1HB LEU 33 -0.771 1.528 -3.959 235 HG LEU 33 HG LEU 33 0.126 -0.083 -2.406 236 HD11 LEU 33 1HD1 LEU 33 2.102 0.200 -1.161 237 HD12 LEU 33 2HD1 LEU 33 2.258 1.890 -1.640 238 HD13 LEU 33 3HD1 LEU 33 2.527 0.610 -2.823 239 HD21 LEU 33 3HD2 LEU 33 -1.347 1.788 -1.592 240 HD22 LEU 33 1HD2 LEU 33 0.116 2.583 -1.009 241 HD23 LEU 33 2HD2 LEU 33 -0.353 1.012 -0.359 242 H GLN 34 H GLN 34 -0.717 -0.360 -5.734 243 HA GLN 34 HA GLN 34 -0.110 -2.807 -4.508 244 HB2 GLN 34 2HB GLN 34 -1.600 -2.306 -7.092 245 HB3 GLN 34 1HB GLN 34 -1.632 -3.805 -6.173 246 HG2 GLN 34 2HG GLN 34 -2.344 -1.441 -4.612 247 HG3 GLN 34 1HG GLN 34 -3.435 -1.775 -5.956 248 HE21 GLN 34 1HE2 GLN 34 -1.617 -3.916 -3.800 249 HE22 GLN 34 2HE2 GLN 34 -2.991 -4.785 -3.217 250 H GLU 35 H GLU 35 1.141 -1.291 -7.366 251 HA GLU 35 HA GLU 35 2.360 -3.708 -8.379 252 HB2 GLU 35 2HB GLU 35 1.562 -1.982 -9.931 253 HB3 GLU 35 1HB GLU 35 2.690 -0.827 -9.235 254 HG2 GLU 35 2HG GLU 35 4.360 -1.554 -10.501 255 HG3 GLU 35 1HG GLU 35 4.027 -3.240 -10.105 256 H SER 36 H SER 36 3.207 -1.085 -6.284 257 HA SER 36 HA SER 36 6.035 -1.326 -6.516 258 HB2 SER 36 2HB SER 36 4.221 0.394 -5.192 259 HB3 SER 36 1HB SER 36 5.257 -0.299 -3.945 260 HG SER 36 HG SER 36 6.632 1.148 -4.594 261 H ILE 37 H ILE 37 3.674 -2.508 -4.133 262 HA ILE 37 HA ILE 37 5.489 -3.806 -2.439 263 HB ILE 37 HB ILE 37 2.652 -4.668 -3.023 264 HG12 ILE 37 2HG1 ILE 37 2.910 -3.151 -0.608 265 HG13 ILE 37 1HG1 ILE 37 3.603 -2.222 -1.933 266 HG21 ILE 37 1HG2 ILE 37 4.114 -4.976 -0.427 267 HG22 ILE 37 2HG2 ILE 37 4.251 -6.181 -1.705 268 HG23 ILE 37 3HG2 ILE 37 2.677 -5.821 -1.000 269 HD11 ILE 37 3HD1 ILE 37 1.309 -3.054 -3.072 270 HD12 ILE 37 1HD1 ILE 37 1.488 -1.534 -2.196 271 HD13 ILE 37 2HD1 ILE 37 0.814 -2.946 -1.383 272 H ALA 38 H ALA 38 3.846 -4.889 -5.363 273 HA ALA 38 HA ALA 38 4.522 -7.598 -5.262 274 HB1 ALA 38 1HB ALA 38 3.002 -7.252 -6.908 275 HB2 ALA 38 2HB ALA 38 4.459 -7.207 -7.902 276 HB3 ALA 38 3HB ALA 38 3.700 -5.702 -7.380 277 H ARG 39 H ARG 39 6.503 -4.850 -5.781 278 HA ARG 39 HA ARG 39 8.582 -6.360 -7.156 279 HB2 ARG 39 2HB ARG 39 9.057 -3.591 -6.165 280 HB3 ARG 39 1HB ARG 39 9.580 -4.350 -7.661 281 HG2 ARG 39 2HG ARG 39 7.186 -4.234 -8.430 282 HG3 ARG 39 1HG ARG 39 6.869 -3.235 -7.011 283 HD2 ARG 39 2HD ARG 39 8.797 -1.773 -7.840 284 HD3 ARG 39 1HD ARG 39 8.632 -2.641 -9.365 285 HE ARG 39 HE ARG 39 6.115 -1.811 -8.883 286 HH11 ARG 39 1HH1 ARG 39 9.181 -0.144 -8.901 287 HH12 ARG 39 2HH1 ARG 39 8.497 1.369 -9.393 288 HH21 ARG 39 1HH2 ARG 39 5.214 0.177 -9.530 289 HH22 ARG 39 2HH2 ARG 39 6.245 1.552 -9.749 290 H GLU 40 H GLU 40 8.023 -4.745 -4.065 291 HA GLU 40 HA GLU 40 10.591 -5.360 -3.002 292 HB2 GLU 40 2HB GLU 40 8.293 -3.859 -2.206 293 HB3 GLU 40 1HB GLU 40 8.751 -4.931 -0.888 294 HG2 GLU 40 2HG GLU 40 9.832 -2.789 -0.650 295 HG3 GLU 40 1HG GLU 40 11.029 -4.044 -0.963 296 H PHE 41 H PHE 41 7.553 -7.040 -3.134 297 HA PHE 41 HA PHE 41 8.745 -9.204 -1.532 298 HB2 PHE 41 2HB PHE 41 5.807 -8.498 -1.623 299 HB3 PHE 41 1HB PHE 41 6.564 -9.737 -0.626 300 HD1 PHE 41 1HD PHE 41 6.127 -6.127 -1.117 301 HD2 PHE 41 2HD PHE 41 7.725 -9.172 1.388 302 HE1 PHE 41 1HE PHE 41 6.465 -4.473 0.672 303 HE2 PHE 41 2HE PHE 41 8.063 -7.522 3.182 304 HZ PHE 41 HZ PHE 41 7.432 -5.171 2.826 305 H ASN 42 H ASN 42 6.994 -11.205 -1.913 306 HA ASN 42 HA ASN 42 7.127 -11.635 -4.821 307 HB2 ASN 42 2HB ASN 42 7.003 -13.772 -2.690 308 HB3 ASN 42 1HB ASN 42 7.403 -13.973 -4.393 309 HD21 ASN 42 1HD2 ASN 42 9.194 -12.030 -4.864 310 HD22 ASN 42 2HD2 ASN 42 10.607 -12.251 -3.895 311 H ILE 43 H ILE 43 4.935 -10.250 -4.020 312 HA ILE 43 HA ILE 43 2.809 -12.239 -4.369 313 HB ILE 43 HB ILE 43 2.526 -9.806 -2.608 314 HG12 ILE 43 2HG1 ILE 43 2.189 -12.049 -1.025 315 HG13 ILE 43 1HG1 ILE 43 3.546 -12.490 -2.057 316 HG21 ILE 43 1HG2 ILE 43 0.682 -12.168 -2.803 317 HG22 ILE 43 2HG2 ILE 43 0.507 -10.751 -3.838 318 HG23 ILE 43 3HG2 ILE 43 0.371 -10.586 -2.087 319 HD11 ILE 43 3HD1 ILE 43 3.797 -9.808 -1.004 320 HD12 ILE 43 1HD1 ILE 43 4.928 -11.161 -0.949 321 HD13 ILE 43 2HD1 ILE 43 3.656 -11.024 0.266 322 HA PRO 44 HA PRO 44 1.803 -9.580 -7.775 323 HB2 PRO 44 2HB PRO 44 -0.605 -10.644 -8.405 324 HB3 PRO 44 1HB PRO 44 0.921 -11.457 -8.765 325 HG2 PRO 44 2HG PRO 44 -0.985 -11.920 -6.506 326 HG3 PRO 44 1HG PRO 44 -0.121 -13.107 -7.502 327 HD2 PRO 44 2HD PRO 44 0.699 -12.390 -5.010 328 HD3 PRO 44 1HD PRO 44 1.824 -12.896 -6.284 329 HA PRO 45 HA PRO 45 -0.852 -6.350 -6.394 330 HB2 PRO 45 2HB PRO 45 -2.227 -5.650 -8.638 331 HB3 PRO 45 1HB PRO 45 -0.523 -5.257 -8.380 332 HG2 PRO 45 2HG PRO 45 -1.733 -7.491 -9.965 333 HG3 PRO 45 1HG PRO 45 -0.371 -6.432 -10.380 334 HD2 PRO 45 2HD PRO 45 -0.012 -8.941 -9.452 335 HD3 PRO 45 1HD PRO 45 1.115 -7.622 -9.074 336 H TYR 46 H TYR 46 -2.330 -9.132 -7.874 337 HA TYR 46 HA TYR 46 -4.983 -8.338 -6.954 338 HB2 TYR 46 2HB TYR 46 -5.828 -10.230 -8.185 339 HB3 TYR 46 1HB TYR 46 -4.702 -9.348 -9.210 340 HD1 TYR 46 2HD TYR 46 -2.455 -10.291 -9.669 341 HD2 TYR 46 1HD TYR 46 -5.406 -12.486 -7.532 342 HE1 TYR 46 2HE TYR 46 -1.198 -12.364 -10.075 343 HE2 TYR 46 1HE TYR 46 -4.157 -14.566 -7.931 344 HH TYR 46 HH TYR 46 -1.290 -14.905 -8.527 345 H LEU 47 H LEU 47 -2.491 -9.439 -5.343 346 HA LEU 47 HA LEU 47 -4.151 -11.091 -3.580 347 HB2 LEU 47 2HB LEU 47 -1.355 -11.776 -4.477 348 HB3 LEU 47 1HB LEU 47 -2.192 -12.576 -3.163 349 HG LEU 47 HG LEU 47 -3.133 -12.565 -6.031 350 HD11 LEU 47 1HD1 LEU 47 -1.507 -14.059 -6.356 351 HD12 LEU 47 2HD1 LEU 47 -2.472 -15.145 -5.358 352 HD13 LEU 47 3HD1 LEU 47 -1.173 -14.200 -4.631 353 HD21 LEU 47 3HD2 LEU 47 -4.929 -13.771 -5.380 354 HD22 LEU 47 1HD2 LEU 47 -4.660 -12.931 -3.855 355 HD23 LEU 47 2HD2 LEU 47 -4.054 -14.570 -4.075 356 H GLN 48 H GLN 48 -2.547 -8.321 -3.815 357 HA GLN 48 HA GLN 48 -1.355 -8.495 -1.132 358 HB2 GLN 48 2HB GLN 48 -0.833 -6.599 -3.418 359 HB3 GLN 48 1HB GLN 48 -0.217 -6.332 -1.795 360 HG2 GLN 48 2HG GLN 48 1.076 -8.349 -1.890 361 HG3 GLN 48 1HG GLN 48 0.358 -8.781 -3.440 362 HE21 GLN 48 1HE2 GLN 48 0.480 -6.478 -4.845 363 HE22 GLN 48 2HE2 GLN 48 2.121 -5.994 -5.073 364 H CYS 49 H CYS 49 -2.686 -7.826 0.403 365 HA CYS 49 HA CYS 49 -4.515 -5.596 -0.175 366 HB2 CYS 49 2HB CYS 49 -5.661 -7.605 0.570 367 HB3 CYS 49 1HB CYS 49 -4.619 -7.716 1.982 368 HG CYS 49 HG CYS 49 -6.578 -5.322 1.695 369 H ILE 50 H ILE 50 -3.536 -3.744 0.327 370 HA ILE 50 HA ILE 50 -1.593 -3.522 2.426 371 HB ILE 50 HB ILE 50 -2.918 -1.292 0.886 372 HG12 ILE 50 2HG1 ILE 50 -0.215 -2.079 0.087 373 HG13 ILE 50 1HG1 ILE 50 -1.408 -3.344 -0.189 374 HG21 ILE 50 1HG2 ILE 50 -0.801 -0.095 1.417 375 HG22 ILE 50 2HG2 ILE 50 -0.357 -1.443 2.465 376 HG23 ILE 50 3HG2 ILE 50 -1.785 -0.474 2.831 377 HD11 ILE 50 3HD1 ILE 50 -1.084 -1.900 -2.141 378 HD12 ILE 50 1HD1 ILE 50 -1.625 -0.515 -1.191 379 HD13 ILE 50 2HD1 ILE 50 -2.738 -1.841 -1.530 380 H ARG 51 H ARG 51 -1.712 -2.115 4.233 381 HA ARG 51 HA ARG 51 -4.338 -1.221 5.105 382 HB2 ARG 51 2HB ARG 51 -2.664 -3.187 6.677 383 HB3 ARG 51 1HB ARG 51 -4.057 -2.330 7.323 384 HG2 ARG 51 2HG ARG 51 -5.105 -3.458 5.080 385 HG3 ARG 51 1HG ARG 51 -3.926 -4.673 5.578 386 HD2 ARG 51 2HD ARG 51 -4.914 -4.765 7.789 387 HD3 ARG 51 1HD ARG 51 -6.038 -3.475 7.365 388 HE ARG 51 HE ARG 51 -7.336 -5.007 6.259 389 HH11 ARG 51 1HH1 ARG 51 -4.223 -6.429 6.936 390 HH12 ARG 51 2HH1 ARG 51 -4.704 -8.020 6.451 391 HH21 ARG 51 1HH2 ARG 51 -7.971 -7.099 5.620 392 HH22 ARG 51 2HH2 ARG 51 -6.832 -8.400 5.703 393 H TYR 52 H TYR 52 -4.258 0.378 6.734 394 HA TYR 52 HA TYR 52 -1.667 1.219 7.736 395 HB2 TYR 52 2HB TYR 52 -1.837 3.490 6.873 396 HB3 TYR 52 1HB TYR 52 -1.830 2.338 5.543 397 HD1 TYR 52 1HD TYR 52 -4.167 1.641 4.624 398 HD2 TYR 52 2HD TYR 52 -3.478 5.129 6.961 399 HE1 TYR 52 1HE TYR 52 -6.246 2.628 3.755 400 HE2 TYR 52 2HE TYR 52 -5.556 6.124 6.100 401 HH TYR 52 HH TYR 52 -7.664 5.415 5.109 402 H GLY 53 H GLY 53 -1.863 3.055 9.276 403 HA2 GLY 53 2HA GLY 53 -2.827 4.056 11.103 404 HA3 GLY 53 1HA GLY 53 -4.365 3.908 10.268 405 H PHE 54 H PHE 54 -4.565 3.662 12.862 406 HA PHE 54 HA PHE 54 -4.889 0.773 13.294 407 HB2 PHE 54 2HB PHE 54 -3.070 2.330 14.660 408 HB3 PHE 54 1HB PHE 54 -4.457 2.317 15.743 409 HD1 PHE 54 1HD PHE 54 -5.469 0.015 16.303 410 HD2 PHE 54 2HD PHE 54 -1.585 0.557 14.651 411 HE1 PHE 54 1HE PHE 54 -4.819 -2.217 17.110 412 HE2 PHE 54 2HE PHE 54 -0.927 -1.673 15.455 413 HZ PHE 54 HZ PHE 54 -2.546 -3.063 16.686 414 HA PRO 55 HA PRO 55 -6.221 -0.696 14.023 415 HB2 PRO 55 2HB PRO 55 -8.852 -1.096 12.782 416 HB3 PRO 55 1HB PRO 55 -8.121 -1.935 14.153 417 HG2 PRO 55 2HG PRO 55 -10.181 -0.232 14.463 418 HG3 PRO 55 1HG PRO 55 -8.906 -0.401 15.684 419 HD2 PRO 55 2HD PRO 55 -9.266 1.724 13.599 420 HD3 PRO 55 1HD PRO 55 -8.789 1.888 15.303 421 HA PRO 56 HA PRO 56 -4.738 -0.310 9.872 422 HB2 PRO 56 2HB PRO 56 -5.244 -3.250 9.775 423 HB3 PRO 56 1HB PRO 56 -3.790 -2.342 9.341 424 HG2 PRO 56 2HG PRO 56 -3.910 -3.689 11.631 425 HG3 PRO 56 1HG PRO 56 -3.118 -2.105 11.546 426 HD2 PRO 56 2HD PRO 56 -5.768 -2.839 12.691 427 HD3 PRO 56 1HD PRO 56 -4.613 -1.601 13.218 428 H LYS 57 H LYS 57 -5.816 0.355 8.175 429 HA LYS 57 HA LYS 57 -8.545 -0.535 7.710 430 HB2 LYS 57 2HB LYS 57 -6.850 1.670 6.552 431 HB3 LYS 57 1HB LYS 57 -8.414 1.246 5.868 432 HG2 LYS 57 2HG LYS 57 -9.577 2.012 7.701 433 HG3 LYS 57 1HG LYS 57 -8.196 1.836 8.783 434 HD2 LYS 57 2HD LYS 57 -7.620 3.958 8.449 435 HD3 LYS 57 1HD LYS 57 -7.540 3.694 6.706 436 HE2 LYS 57 2HE LYS 57 -9.901 4.155 6.489 437 HE3 LYS 57 1HE LYS 57 -10.070 4.283 8.239 438 HZ1 LYS 57 3HZ LYS 57 -8.110 6.035 6.988 439 HZ2 LYS 57 1HZ LYS 57 -9.174 6.339 8.268 440 HZ3 LYS 57 2HZ LYS 57 -9.735 6.382 6.673 441 H GLU 58 H GLU 58 -9.100 -0.660 5.221 442 HA GLU 58 HA GLU 58 -7.346 -2.742 4.144 443 HB2 GLU 58 2HB GLU 58 -9.800 -3.174 4.491 444 HB3 GLU 58 1HB GLU 58 -10.123 -1.997 3.224 445 HG2 GLU 58 2HG GLU 58 -9.539 -3.408 1.579 446 HG3 GLU 58 1HG GLU 58 -8.221 -4.118 2.509 447 H LEU 59 H LEU 59 -7.874 0.532 3.736 448 HA LEU 59 HA LEU 59 -7.433 2.046 2.092 449 HB2 LEU 59 2HB LEU 59 -5.195 1.016 2.537 450 HB3 LEU 59 1HB LEU 59 -5.471 -0.052 1.178 451 HG LEU 59 HG LEU 59 -5.325 1.712 -0.387 452 HD11 LEU 59 1HD1 LEU 59 -4.944 4.107 0.620 453 HD12 LEU 59 2HD1 LEU 59 -5.862 3.445 1.973 454 HD13 LEU 59 3HD1 LEU 59 -6.572 3.481 0.359 455 HD21 LEU 59 3HD2 LEU 59 -3.152 1.117 0.279 456 HD22 LEU 59 1HD2 LEU 59 -3.293 1.986 1.807 457 HD23 LEU 59 2HD2 LEU 59 -3.174 2.880 0.291 458 H MET 60 H MET 60 -9.574 1.629 1.192 459 HA MET 60 HA MET 60 -10.055 -0.178 -0.901 460 HB2 MET 60 2HB MET 60 -12.036 1.218 -1.386 461 HB3 MET 60 1HB MET 60 -11.879 0.843 0.326 462 HG2 MET 60 2HG MET 60 -10.775 3.099 0.585 463 HG3 MET 60 1HG MET 60 -11.304 3.442 -1.061 464 HE1 MET 60 3HE MET 60 -13.232 5.726 0.798 465 HE2 MET 60 1HE MET 60 -11.656 5.066 1.237 466 HE3 MET 60 2HE MET 60 -13.033 4.853 2.317 467 HA PRO 61 HA PRO 61 -8.177 1.772 -4.386 468 HB2 PRO 61 2HB PRO 61 -9.667 0.799 -6.401 469 HB3 PRO 61 1HB PRO 61 -8.592 -0.235 -5.452 470 HG2 PRO 61 2HG PRO 61 -11.555 0.122 -5.234 471 HG3 PRO 61 1HG PRO 61 -10.599 -1.369 -5.158 472 HD2 PRO 61 2HD PRO 61 -11.545 -0.059 -2.951 473 HD3 PRO 61 1HD PRO 61 -10.089 -1.071 -2.943 474 HA PRO 62 HA PRO 62 -10.350 5.534 -5.214 475 HB2 PRO 62 2HB PRO 62 -9.105 6.231 -7.550 476 HB3 PRO 62 1HB PRO 62 -8.393 6.460 -5.951 477 HG2 PRO 62 2HG PRO 62 -7.924 4.281 -7.946 478 HG3 PRO 62 1HG PRO 62 -6.754 5.138 -6.925 479 HD2 PRO 62 2HD PRO 62 -7.641 2.672 -6.314 480 HD3 PRO 62 1HD PRO 62 -7.264 3.871 -5.060 481 H GLN 63 H GLN 63 -11.192 6.662 -7.421 482 HA GLN 63 HA GLN 63 -12.505 4.682 -9.118 483 HB2 GLN 63 2HB GLN 63 -14.709 5.629 -8.775 484 HB3 GLN 63 1HB GLN 63 -14.046 5.120 -7.230 485 HG2 GLN 63 2HG GLN 63 -14.732 7.129 -6.538 486 HG3 GLN 63 1HG GLN 63 -13.242 7.698 -7.291 487 HE21 GLN 63 1HE2 GLN 63 -14.141 9.729 -7.670 488 HE22 GLN 63 2HE2 GLN 63 -15.306 9.996 -8.918 489 H ALA 64 H ALA 64 -14.199 6.337 -10.511 490 HA ALA 64 HA ALA 64 -12.573 7.503 -12.414 491 HB1 ALA 64 1HB ALA 64 -14.482 8.013 -13.505 492 HB2 ALA 64 2HB ALA 64 -15.226 8.747 -12.084 493 HB3 ALA 64 3HB ALA 64 -15.208 6.992 -12.264 494 H GLY 65 H GLY 65 -11.062 8.975 -11.866 495 HA2 GLY 65 2HA GLY 65 -10.714 11.386 -11.791 496 HA3 GLY 65 1HA GLY 65 -12.034 11.476 -10.635 497 H MET 66 H MET 66 -11.033 9.049 -9.230 498 HA MET 66 HA MET 66 -9.009 10.420 -7.626 499 HB2 MET 66 2HB MET 66 -11.207 8.622 -7.061 500 HB3 MET 66 1HB MET 66 -9.713 8.027 -6.351 501 HG2 MET 66 2HG MET 66 -10.671 10.845 -5.974 502 HG3 MET 66 1HG MET 66 -11.145 9.524 -4.908 503 HE1 MET 66 3HE MET 66 -9.354 12.407 -4.329 504 HE2 MET 66 1HE MET 66 -8.458 11.747 -2.961 505 HE3 MET 66 2HE MET 66 -10.177 11.397 -3.141 506 H GLU 67 H GLU 67 -9.369 7.784 -9.812 507 HA GLU 67 HA GLU 67 -7.378 6.032 -9.025 508 HB2 GLU 67 2HB GLU 67 -7.200 5.416 -11.417 509 HB3 GLU 67 1HB GLU 67 -8.865 5.510 -10.860 510 HG2 GLU 67 2HG GLU 67 -9.105 7.697 -11.891 511 HG3 GLU 67 1HG GLU 67 -7.422 7.646 -12.415 512 H LYS 68 H LYS 68 -7.097 9.190 -10.451 513 HA LYS 68 HA LYS 68 -4.303 8.877 -11.116 514 HB2 LYS 68 2HB LYS 68 -6.046 11.347 -11.080 515 HB3 LYS 68 1HB LYS 68 -4.419 11.255 -11.742 516 HG2 LYS 68 2HG LYS 68 -5.085 10.112 -13.597 517 HG3 LYS 68 1HG LYS 68 -6.453 9.357 -12.777 518 HD2 LYS 68 2HD LYS 68 -6.342 12.299 -13.407 519 HD3 LYS 68 1HD LYS 68 -7.021 11.106 -14.517 520 HE2 LYS 68 2HE LYS 68 -7.946 11.644 -11.697 521 HE3 LYS 68 1HE LYS 68 -8.767 12.151 -13.172 522 HZ1 LYS 68 3HZ LYS 68 -8.356 9.413 -13.379 523 HZ2 LYS 68 1HZ LYS 68 -9.825 10.222 -13.153 524 HZ3 LYS 68 2HZ LYS 68 -8.940 9.686 -11.816 525 H GLU 69 H GLU 69 -6.162 9.864 -8.389 526 HA GLU 69 HA GLU 69 -4.210 11.524 -7.155 527 HB2 GLU 69 2HB GLU 69 -6.737 10.198 -6.292 528 HB3 GLU 69 1HB GLU 69 -5.634 10.763 -5.045 529 HG2 GLU 69 2HG GLU 69 -6.105 12.741 -7.125 530 HG3 GLU 69 1HG GLU 69 -7.576 12.250 -6.287 531 HA PRO 70 HA PRO 70 -1.484 8.411 -5.588 532 HB2 PRO 70 2HB PRO 70 -0.212 9.811 -3.677 533 HB3 PRO 70 1HB PRO 70 0.023 10.150 -5.397 534 HG2 PRO 70 2HG PRO 70 -1.703 11.571 -3.404 535 HG3 PRO 70 1HG PRO 70 -0.643 12.252 -4.651 536 HD2 PRO 70 2HD PRO 70 -3.344 12.003 -4.948 537 HD3 PRO 70 1HD PRO 70 -2.205 11.971 -6.308 538 H VAL 71 H VAL 71 -0.832 7.340 -3.545 539 HA VAL 71 HA VAL 71 -3.082 6.500 -2.079 540 HB VAL 71 HB VAL 71 -1.312 5.449 -0.541 541 HG11 VAL 71 1HG1 VAL 71 -2.368 4.063 -2.112 542 HG12 VAL 71 2HG1 VAL 71 -0.643 3.825 -2.388 543 HG13 VAL 71 3HG1 VAL 71 -1.574 4.856 -3.472 544 HG21 VAL 71 3HG2 VAL 71 0.887 5.730 -0.915 545 HG22 VAL 71 1HG2 VAL 71 0.373 7.232 -1.682 546 HG23 VAL 71 2HG2 VAL 71 0.685 5.803 -2.667 547 HA PRO 72 HA PRO 72 -3.285 9.307 1.331 548 HB2 PRO 72 2HB PRO 72 -3.990 7.733 3.390 549 HB3 PRO 72 1HB PRO 72 -5.077 8.018 2.027 550 HG2 PRO 72 2HG PRO 72 -3.264 5.684 2.535 551 HG3 PRO 72 1HG PRO 72 -4.965 5.680 2.035 552 HD2 PRO 72 2HD PRO 72 -2.943 5.351 0.276 553 HD3 PRO 72 1HD PRO 72 -4.454 6.172 -0.160 554 H LEU 73 H LEU 73 -0.772 7.162 1.103 555 HA LEU 73 HA LEU 73 0.372 7.850 3.709 556 HB2 LEU 73 2HB LEU 73 1.754 5.994 1.851 557 HB3 LEU 73 1HB LEU 73 1.620 5.937 3.599 558 HG LEU 73 HG LEU 73 -0.722 5.339 1.803 559 HD11 LEU 73 1HD1 LEU 73 -0.225 3.000 1.984 560 HD12 LEU 73 2HD1 LEU 73 1.214 3.341 2.945 561 HD13 LEU 73 3HD1 LEU 73 1.147 3.831 1.253 562 HD21 LEU 73 3HD2 LEU 73 -1.226 5.866 4.130 563 HD22 LEU 73 1HD2 LEU 73 -0.098 4.621 4.664 564 HD23 LEU 73 2HD2 LEU 73 -1.554 4.170 3.776 565 H GLN 74 H GLN 74 2.562 8.597 3.849 566 HA GLN 74 HA GLN 74 3.632 9.795 1.393 567 HB2 GLN 74 2HB GLN 74 3.302 11.234 4.030 568 HB3 GLN 74 1HB GLN 74 4.136 11.875 2.622 569 HG2 GLN 74 2HG GLN 74 1.371 10.973 2.172 570 HG3 GLN 74 1HG GLN 74 1.565 12.383 3.211 571 HE21 GLN 74 1HE2 GLN 74 0.933 11.542 0.178 572 HE22 GLN 74 2HE2 GLN 74 1.618 12.877 -0.681 573 H HIS 75 H HIS 75 5.855 10.911 2.074 574 HA HIS 75 HA HIS 75 7.672 8.884 2.553 575 HB2 HIS 75 2HB HIS 75 8.124 11.164 1.543 576 HB3 HIS 75 1HB HIS 75 8.185 11.792 3.186 577 HD1 HIS 75 1HD HIS 75 9.648 8.685 3.658 578 HD2 HIS 75 2HD HIS 75 10.933 12.130 1.721 579 HE1 HIS 75 1HE HIS 75 12.154 8.505 3.557 580 HE2 HIS 75 2HE HIS 75 12.901 10.552 2.294 581 H GLY 76 H GLY 76 7.784 7.671 4.330 582 HA2 GLY 76 2HA GLY 76 8.728 7.547 6.560 583 HA3 GLY 76 1HA GLY 76 7.925 9.065 6.926 584 H ASP 77 H ASP 77 5.771 7.271 5.163 585 HA ASP 77 HA ASP 77 4.231 6.662 7.523 586 HB2 ASP 77 2HB ASP 77 3.735 6.882 4.642 587 HB3 ASP 77 1HB ASP 77 2.838 5.577 5.411 588 H ARG 78 H ARG 78 2.919 4.427 7.184 589 HA ARG 78 HA ARG 78 4.731 2.255 6.493 590 HB2 ARG 78 2HB ARG 78 4.211 1.154 8.734 591 HB3 ARG 78 1HB ARG 78 5.366 2.478 8.755 592 HG2 ARG 78 2HG ARG 78 2.760 3.550 9.149 593 HG3 ARG 78 1HG ARG 78 2.988 2.192 10.252 594 HD2 ARG 78 2HD ARG 78 5.270 3.290 10.761 595 HD3 ARG 78 1HD ARG 78 4.566 4.730 10.027 596 HE ARG 78 HE ARG 78 3.955 3.624 12.602 597 HH11 ARG 78 1HH1 ARG 78 2.728 5.566 9.974 598 HH12 ARG 78 2HH1 ARG 78 1.588 6.411 10.966 599 HH21 ARG 78 1HH2 ARG 78 2.456 4.735 13.908 600 HH22 ARG 78 2HH2 ARG 78 1.433 5.941 13.199 601 H ILE 79 H ILE 79 3.696 0.291 6.097 602 HA ILE 79 HA ILE 79 0.792 0.218 6.380 603 HB ILE 79 HB ILE 79 0.814 -0.743 3.936 604 HG12 ILE 79 2HG1 ILE 79 3.126 1.206 3.881 605 HG13 ILE 79 1HG1 ILE 79 3.245 -0.533 3.626 606 HG21 ILE 79 1HG2 ILE 79 0.156 1.448 3.108 607 HG22 ILE 79 2HG2 ILE 79 0.888 2.208 4.523 608 HG23 ILE 79 3HG2 ILE 79 -0.507 1.146 4.713 609 HD11 ILE 79 3HD1 ILE 79 1.536 -0.068 1.710 610 HD12 ILE 79 1HD1 ILE 79 3.256 0.244 1.476 611 HD13 ILE 79 2HD1 ILE 79 2.158 1.577 1.835 612 H THR 80 H THR 80 -0.095 -1.926 5.698 613 HA THR 80 HA THR 80 1.844 -4.099 6.038 614 HB THR 80 HB THR 80 -0.804 -3.911 7.480 615 HG1 THR 80 1HG THR 80 0.874 -2.569 8.343 616 HG21 THR 80 3HG2 THR 80 -0.542 -5.995 8.274 617 HG22 THR 80 1HG2 THR 80 1.218 -5.884 8.296 618 HG23 THR 80 2HG2 THR 80 0.373 -6.213 6.782 619 H ILE 81 H ILE 81 1.612 -5.639 4.568 620 HA ILE 81 HA ILE 81 -0.768 -5.593 2.870 621 HB ILE 81 HB ILE 81 1.770 -7.138 2.380 622 HG12 ILE 81 2HG1 ILE 81 2.373 -4.804 2.564 623 HG13 ILE 81 1HG1 ILE 81 2.398 -5.264 0.866 624 HG21 ILE 81 1HG2 ILE 81 0.247 -8.027 0.927 625 HG22 ILE 81 2HG2 ILE 81 0.839 -6.678 -0.041 626 HG23 ILE 81 3HG2 ILE 81 -0.691 -6.538 0.823 627 HD11 ILE 81 3HD1 ILE 81 1.180 -3.438 0.524 628 HD12 ILE 81 1HD1 ILE 81 0.801 -3.269 2.238 629 HD13 ILE 81 2HD1 ILE 81 -0.164 -4.342 1.222 630 H GLU 82 H GLU 82 -1.706 -7.624 2.166 631 HA GLU 82 HA GLU 82 -1.265 -9.884 3.973 632 HB2 GLU 82 2HB GLU 82 -3.101 -8.963 5.073 633 HB3 GLU 82 1HB GLU 82 -3.836 -8.394 3.584 634 HG2 GLU 82 2HG GLU 82 -4.534 -10.597 2.999 635 HG3 GLU 82 1HG GLU 82 -3.604 -11.300 4.321 636 H ILE 83 H ILE 83 -0.841 -11.584 2.756 637 HA ILE 83 HA ILE 83 -1.315 -11.697 -0.020 638 HB ILE 83 HB ILE 83 -0.665 -13.946 1.892 639 HG12 ILE 83 2HG1 ILE 83 1.523 -13.361 0.240 640 HG13 ILE 83 1HG1 ILE 83 0.900 -11.793 0.740 641 HG21 ILE 83 1HG2 ILE 83 0.291 -14.748 -0.506 642 HG22 ILE 83 2HG2 ILE 83 -1.156 -13.876 -1.009 643 HG23 ILE 83 3HG2 ILE 83 -1.286 -15.213 0.134 644 HD11 ILE 83 3HD1 ILE 83 2.380 -13.776 2.242 645 HD12 ILE 83 1HD1 ILE 83 0.918 -13.254 3.074 646 HD13 ILE 83 2HD1 ILE 83 2.118 -12.063 2.574 647 H LEU 84 H LEU 84 -3.293 -11.759 -0.848 648 HA LEU 84 HA LEU 84 -5.510 -12.948 0.512 649 HB2 LEU 84 2HB LEU 84 -5.449 -12.121 -2.377 650 HB3 LEU 84 1HB LEU 84 -6.832 -12.195 -1.303 651 HG LEU 84 HG LEU 84 -4.577 -10.195 -1.203 652 HD11 LEU 84 1HD1 LEU 84 -7.468 -9.538 -1.509 653 HD12 LEU 84 2HD1 LEU 84 -6.543 -10.077 -2.912 654 HD13 LEU 84 3HD1 LEU 84 -6.045 -8.634 -2.028 655 HD21 LEU 84 3HD2 LEU 84 -6.085 -11.144 0.948 656 HD22 LEU 84 1HD2 LEU 84 -6.823 -9.606 0.504 657 HD23 LEU 84 2HD2 LEU 84 -5.105 -9.680 0.893 658 H LYS 85 H LYS 85 -6.993 -14.426 -0.938 659 HA LYS 85 HA LYS 85 -5.372 -16.768 -1.552 660 HB2 LYS 85 2HB LYS 85 -7.758 -16.441 -0.184 661 HB3 LYS 85 1HB LYS 85 -8.267 -17.102 -1.731 662 HG2 LYS 85 2HG LYS 85 -7.933 -19.013 -0.512 663 HG3 LYS 85 1HG LYS 85 -6.362 -18.832 -1.297 664 HD2 LYS 85 2HD LYS 85 -6.622 -17.435 1.273 665 HD3 LYS 85 1HD LYS 85 -6.730 -19.195 1.374 666 HE2 LYS 85 2HE LYS 85 -4.562 -19.486 0.832 667 HE3 LYS 85 1HE LYS 85 -4.572 -18.169 -0.339 668 HZ1 LYS 85 3HZ LYS 85 -4.244 -17.987 2.599 669 HZ2 LYS 85 1HZ LYS 85 -4.589 -16.637 1.638 670 HZ3 LYS 85 2HZ LYS 85 -3.156 -17.503 1.397 671 H GLY 86 H GLY 86 -4.603 -16.526 -3.577 672 HA2 GLY 86 2HA GLY 86 -6.565 -16.042 -5.729 673 HA3 GLY 86 1HA GLY 86 -4.850 -15.678 -5.846 Start of MODEL 10 1 H1 LYS 6 H LYS 6 13.046 14.583 -6.019 2 HA LYS 6 HA LYS 6 12.518 12.498 -6.744 3 HB2 LYS 6 2HB LYS 6 14.318 11.976 -4.460 4 HB3 LYS 6 1HB LYS 6 13.286 10.633 -4.929 5 HG2 LYS 6 2HG LYS 6 15.221 12.110 -6.699 6 HG3 LYS 6 1HG LYS 6 15.414 10.480 -6.050 7 HD2 LYS 6 2HD LYS 6 13.199 9.968 -7.259 8 HD3 LYS 6 1HD LYS 6 13.506 11.461 -8.148 9 HE2 LYS 6 2HE LYS 6 15.923 10.147 -8.274 10 HE3 LYS 6 1HE LYS 6 14.750 8.837 -8.404 11 HZ1 LYS 6 3HZ LYS 6 14.217 11.183 -10.030 12 HZ2 LYS 6 1HZ LYS 6 14.053 9.542 -10.408 13 HZ3 LYS 6 2HZ LYS 6 15.574 10.278 -10.476 14 H GLU 7 H GLU 7 11.503 10.282 -5.709 15 HA GLU 7 HA GLU 7 8.909 11.079 -4.847 16 HB2 GLU 7 2HB GLU 7 8.446 8.655 -4.801 17 HB3 GLU 7 1HB GLU 7 9.204 9.161 -6.302 18 HG2 GLU 7 2HG GLU 7 11.376 8.483 -4.849 19 HG3 GLU 7 1HG GLU 7 10.179 7.364 -4.200 20 H LYS 8 H LYS 8 8.092 9.191 -3.036 21 HA LYS 8 HA LYS 8 9.571 9.982 -0.625 22 HB2 LYS 8 2HB LYS 8 7.450 9.560 0.581 23 HB3 LYS 8 1HB LYS 8 7.305 10.824 -0.629 24 HG2 LYS 8 2HG LYS 8 6.542 8.679 -2.071 25 HG3 LYS 8 1HG LYS 8 6.007 8.191 -0.464 26 HD2 LYS 8 2HD LYS 8 4.948 10.517 -0.318 27 HD3 LYS 8 1HD LYS 8 5.200 10.602 -2.062 28 HE2 LYS 8 2HE LYS 8 3.951 8.420 -2.229 29 HE3 LYS 8 1HE LYS 8 3.531 8.619 -0.529 30 HZ1 LYS 8 3HZ LYS 8 2.436 10.696 -1.072 31 HZ2 LYS 8 1HZ LYS 8 1.785 9.434 -1.995 32 HZ3 LYS 8 2HZ LYS 8 2.860 10.532 -2.701 33 H LYS 9 H LYS 9 9.593 8.420 1.157 34 HA LYS 9 HA LYS 9 9.715 5.649 0.161 35 HB2 LYS 9 2HB LYS 9 11.932 6.501 0.703 36 HB3 LYS 9 1HB LYS 9 11.384 6.985 2.301 37 HG2 LYS 9 2HG LYS 9 10.893 4.174 1.786 38 HG3 LYS 9 1HG LYS 9 12.598 4.599 1.627 39 HD2 LYS 9 2HD LYS 9 11.272 5.778 3.961 40 HD3 LYS 9 1HD LYS 9 11.338 4.015 3.978 41 HE2 LYS 9 2HE LYS 9 13.791 5.572 3.294 42 HE3 LYS 9 1HE LYS 9 13.299 5.431 4.980 43 HZ1 LYS 9 3HZ LYS 9 14.334 3.397 3.172 44 HZ2 LYS 9 1HZ LYS 9 13.130 2.900 4.251 45 HZ3 LYS 9 2HZ LYS 9 14.562 3.583 4.836 46 H ILE 10 H ILE 10 8.702 4.069 1.310 47 HA ILE 10 HA ILE 10 7.515 4.774 3.894 48 HB ILE 10 HB ILE 10 5.701 3.200 2.214 49 HG12 ILE 10 2HG1 ILE 10 6.442 6.029 1.451 50 HG13 ILE 10 1HG1 ILE 10 6.399 4.606 0.417 51 HG21 ILE 10 1HG2 ILE 10 4.997 3.952 4.358 52 HG22 ILE 10 2HG2 ILE 10 4.083 4.869 3.163 53 HG23 ILE 10 3HG2 ILE 10 5.447 5.616 3.993 54 HD11 ILE 10 3HD1 ILE 10 4.523 5.855 -0.178 55 HD12 ILE 10 1HD1 ILE 10 4.110 6.202 1.500 56 HD13 ILE 10 2HD1 ILE 10 3.893 4.574 0.857 57 H ARG 11 H ARG 11 6.632 2.856 5.046 58 HA ARG 11 HA ARG 11 8.391 0.560 4.576 59 HB2 ARG 11 2HB ARG 11 8.432 1.638 6.808 60 HB3 ARG 11 1HB ARG 11 6.732 1.235 7.013 61 HG2 ARG 11 2HG ARG 11 7.285 -1.147 6.881 62 HG3 ARG 11 1HG ARG 11 8.990 -0.734 6.696 63 HD2 ARG 11 2HD ARG 11 7.255 -0.070 9.072 64 HD3 ARG 11 1HD ARG 11 8.459 -1.355 9.001 65 HE ARG 11 HE ARG 11 9.568 1.204 8.385 66 HH11 ARG 11 1HH1 ARG 11 8.601 -0.882 11.011 67 HH12 ARG 11 2HH1 ARG 11 9.690 -0.163 12.149 68 HH21 ARG 11 1HH2 ARG 11 11.000 2.152 9.881 69 HH22 ARG 11 2HH2 ARG 11 11.051 1.560 11.507 70 H ILE 12 H ILE 12 7.535 -1.613 4.886 71 HA ILE 12 HA ILE 12 4.653 -1.885 4.448 72 HB ILE 12 HB ILE 12 6.693 -3.309 2.736 73 HG12 ILE 12 2HG1 ILE 12 4.689 -1.347 1.675 74 HG13 ILE 12 1HG1 ILE 12 6.207 -0.759 2.345 75 HG21 ILE 12 1HG2 ILE 12 3.715 -3.425 2.968 76 HG22 ILE 12 2HG2 ILE 12 4.883 -4.745 2.933 77 HG23 ILE 12 3HG2 ILE 12 4.518 -3.851 1.457 78 HD11 ILE 12 3HD1 ILE 12 5.947 -2.732 0.089 79 HD12 ILE 12 1HD1 ILE 12 7.452 -2.081 0.739 80 HD13 ILE 12 2HD1 ILE 12 6.310 -1.015 -0.079 81 H THR 13 H THR 13 3.787 -3.866 5.087 82 HA THR 13 HA THR 13 5.548 -5.907 6.142 83 HB THR 13 HB THR 13 3.465 -4.933 8.041 84 HG1 THR 13 1HG THR 13 4.628 -3.283 8.681 85 HG21 THR 13 3HG2 THR 13 5.695 -5.546 9.452 86 HG22 THR 13 1HG2 THR 13 5.803 -6.665 8.095 87 HG23 THR 13 2HG2 THR 13 4.366 -6.655 9.115 88 H THR 14 H THR 14 4.758 -7.768 5.423 89 HA THR 14 HA THR 14 1.914 -7.935 4.804 90 HB THR 14 HB THR 14 2.387 -9.571 3.286 91 HG1 THR 14 1HG THR 14 3.374 -11.259 3.965 92 HG21 THR 14 3HG2 THR 14 3.698 -7.746 2.501 93 HG22 THR 14 1HG2 THR 14 4.600 -9.235 2.227 94 HG23 THR 14 2HG2 THR 14 5.032 -8.177 3.570 95 H ASN 15 H ASN 15 0.547 -9.425 5.600 96 HA ASN 15 HA ASN 15 0.698 -10.118 8.269 97 HB2 ASN 15 2HB ASN 15 -1.168 -11.757 7.708 98 HB3 ASN 15 1HB ASN 15 -1.441 -10.074 7.264 99 HD21 ASN 15 1HD2 ASN 15 -2.910 -12.047 6.105 100 HD22 ASN 15 2HD2 ASN 15 -2.466 -12.217 4.445 101 H ASP 16 H ASP 16 2.023 -11.791 5.529 102 HA ASP 16 HA ASP 16 2.195 -14.377 6.603 103 HB2 ASP 16 2HB ASP 16 3.001 -13.160 4.253 104 HB3 ASP 16 1HB ASP 16 4.525 -13.621 5.007 105 H GLY 17 H GLY 17 3.843 -11.483 7.416 106 HA2 GLY 17 2HA GLY 17 4.942 -11.422 9.584 107 HA3 GLY 17 1HA GLY 17 5.588 -13.018 9.233 108 H ARG 18 H ARG 18 5.484 -10.489 6.824 109 HA ARG 18 HA ARG 18 8.396 -10.119 7.144 110 HB2 ARG 18 2HB ARG 18 8.547 -10.070 4.648 111 HB3 ARG 18 1HB ARG 18 8.107 -11.639 5.312 112 HG2 ARG 18 2HG ARG 18 5.768 -11.194 4.796 113 HG3 ARG 18 1HG ARG 18 6.224 -9.640 4.094 114 HD2 ARG 18 2HD ARG 18 6.193 -10.913 2.205 115 HD3 ARG 18 1HD ARG 18 7.866 -11.167 2.701 116 HE ARG 18 HE ARG 18 7.330 -13.334 3.361 117 HH11 ARG 18 1HH1 ARG 18 4.464 -11.627 2.337 118 HH12 ARG 18 2HH1 ARG 18 3.561 -13.072 2.046 119 HH21 ARG 18 1HH2 ARG 18 6.137 -15.236 2.984 120 HH22 ARG 18 2HH2 ARG 18 4.507 -15.121 2.410 121 H GLN 19 H GLN 19 9.233 -8.166 6.065 122 HA GLN 19 HA GLN 19 7.320 -6.086 5.431 123 HB2 GLN 19 2HB GLN 19 8.706 -4.571 7.113 124 HB3 GLN 19 1HB GLN 19 7.276 -5.451 7.625 125 HG2 GLN 19 2HG GLN 19 8.430 -6.662 9.079 126 HG3 GLN 19 1HG GLN 19 9.662 -7.061 7.883 127 HE21 GLN 19 1HE2 GLN 19 8.592 -4.103 9.533 128 HE22 GLN 19 2HE2 GLN 19 10.168 -3.619 10.051 129 H SER 20 H SER 20 8.288 -4.204 4.490 130 HA SER 20 HA SER 20 11.102 -4.082 4.008 131 HB2 SER 20 2HB SER 20 9.501 -5.625 2.190 132 HB3 SER 20 1HB SER 20 10.113 -4.198 1.355 133 HG SER 20 HG SER 20 11.602 -6.184 2.721 134 H MET 21 H MET 21 11.711 -2.204 2.761 135 HA MET 21 HA MET 21 9.666 -0.110 2.905 136 HB2 MET 21 2HB MET 21 11.406 1.476 3.106 137 HB3 MET 21 1HB MET 21 11.888 0.127 4.122 138 HG2 MET 21 2HG MET 21 12.872 0.291 1.307 139 HG3 MET 21 1HG MET 21 13.616 1.275 2.565 140 HE1 MET 21 3HE MET 21 14.541 -1.903 0.708 141 HE2 MET 21 1HE MET 21 12.825 -2.023 1.095 142 HE3 MET 21 2HE MET 21 13.970 -3.164 1.802 143 H VAL 22 H VAL 22 9.587 1.509 1.228 144 HA VAL 22 HA VAL 22 10.577 0.632 -1.381 145 HB VAL 22 HB VAL 22 8.285 1.224 -2.327 146 HG11 VAL 22 1HG1 VAL 22 9.103 -1.043 -2.326 147 HG12 VAL 22 2HG1 VAL 22 7.397 -1.041 -1.882 148 HG13 VAL 22 3HG1 VAL 22 8.630 -1.246 -0.639 149 HG21 VAL 22 3HG2 VAL 22 7.394 0.648 0.488 150 HG22 VAL 22 1HG2 VAL 22 6.382 1.064 -0.896 151 HG23 VAL 22 2HG2 VAL 22 7.475 2.266 -0.211 152 H THR 23 H THR 23 9.987 2.327 -3.085 153 HA THR 23 HA THR 23 10.367 5.008 -1.921 154 HB THR 23 HB THR 23 12.308 4.054 -3.206 155 HG1 THR 23 1HG THR 23 11.845 6.352 -3.034 156 HG21 THR 23 3HG2 THR 23 11.291 4.690 -5.810 157 HG22 THR 23 1HG2 THR 23 10.368 3.374 -5.085 158 HG23 THR 23 2HG2 THR 23 12.119 3.237 -5.248 159 H LEU 24 H LEU 24 7.823 4.146 -2.139 160 HA LEU 24 HA LEU 24 6.326 4.301 -4.363 161 HB2 LEU 24 2HB LEU 24 5.837 4.544 -1.647 162 HB3 LEU 24 1HB LEU 24 5.175 6.023 -2.316 163 HG LEU 24 HG LEU 24 3.721 4.767 -3.789 164 HD11 LEU 24 1HD1 LEU 24 5.246 2.411 -2.737 165 HD12 LEU 24 2HD1 LEU 24 4.937 2.876 -4.410 166 HD13 LEU 24 3HD1 LEU 24 3.629 2.238 -3.415 167 HD21 LEU 24 3HD2 LEU 24 3.572 3.604 -1.014 168 HD22 LEU 24 1HD2 LEU 24 2.248 3.802 -2.161 169 HD23 LEU 24 2HD2 LEU 24 3.017 5.220 -1.448 170 H LYS 25 H LYS 25 5.813 5.714 -5.912 171 HA LYS 25 HA LYS 25 7.211 8.168 -6.134 172 HB2 LYS 25 2HB LYS 25 5.673 6.487 -7.829 173 HB3 LYS 25 1HB LYS 25 4.993 8.106 -7.933 174 HG2 LYS 25 2HG LYS 25 7.798 8.382 -8.050 175 HG3 LYS 25 1HG LYS 25 7.358 7.062 -9.135 176 HD2 LYS 25 2HD LYS 25 7.358 9.241 -10.278 177 HD3 LYS 25 1HD LYS 25 5.757 8.496 -10.271 178 HE2 LYS 25 2HE LYS 25 4.921 10.319 -9.321 179 HE3 LYS 25 1HE LYS 25 5.976 10.076 -7.930 180 HZ1 LYS 25 3HZ LYS 25 6.933 11.416 -10.386 181 HZ2 LYS 25 1HZ LYS 25 7.601 11.464 -8.831 182 HZ3 LYS 25 2HZ LYS 25 6.152 12.274 -9.156 183 H SER 26 H SER 26 6.488 10.280 -6.011 184 HA SER 26 HA SER 26 4.763 10.985 -3.985 185 HB2 SER 26 2HB SER 26 4.628 13.238 -5.294 186 HB3 SER 26 1HB SER 26 6.190 12.693 -4.683 187 HG SER 26 HG SER 26 6.446 13.302 -6.812 188 H SER 27 H SER 27 4.045 10.555 -7.414 189 HA SER 27 HA SER 27 1.203 11.056 -6.859 190 HB2 SER 27 2HB SER 27 2.636 10.894 -9.522 191 HB3 SER 27 1HB SER 27 0.937 11.300 -9.286 192 HG SER 27 HG SER 27 2.514 13.095 -9.526 193 H THR 28 H THR 28 2.258 8.668 -5.920 194 HA THR 28 HA THR 28 1.546 6.606 -7.852 195 HB THR 28 HB THR 28 2.849 6.593 -5.144 196 HG1 THR 28 1HG THR 28 3.577 5.556 -7.678 197 HG21 THR 28 3HG2 THR 28 2.969 3.983 -5.902 198 HG22 THR 28 1HG2 THR 28 1.302 4.403 -6.296 199 HG23 THR 28 2HG2 THR 28 1.905 4.635 -4.656 200 H THR 29 H THR 29 -0.508 6.023 -8.030 201 HA THR 29 HA THR 29 -2.352 6.461 -5.826 202 HB THR 29 HB THR 29 -3.183 7.110 -7.968 203 HG1 THR 29 1HG THR 29 -4.437 4.618 -7.632 204 HG21 THR 29 3HG2 THR 29 -1.810 4.793 -8.933 205 HG22 THR 29 1HG2 THR 29 -2.485 6.154 -9.829 206 HG23 THR 29 2HG2 THR 29 -3.497 4.763 -9.445 207 H PHE 30 H PHE 30 -4.085 4.576 -5.676 208 HA PHE 30 HA PHE 30 -3.028 2.505 -4.258 209 HB2 PHE 30 2HB PHE 30 -5.449 3.068 -4.413 210 HB3 PHE 30 1HB PHE 30 -5.496 2.292 -5.993 211 HD1 PHE 30 1HD PHE 30 -4.794 1.659 -2.408 212 HD2 PHE 30 2HD PHE 30 -5.847 -0.004 -6.181 213 HE1 PHE 30 1HE PHE 30 -5.249 -0.503 -1.323 214 HE2 PHE 30 2HE PHE 30 -6.305 -2.168 -5.103 215 HZ PHE 30 HZ PHE 30 -6.006 -2.419 -2.672 216 H PHE 31 H PHE 31 -3.608 2.564 -7.750 217 HA PHE 31 HA PHE 31 -2.904 -0.120 -8.248 218 HB2 PHE 31 2HB PHE 31 -2.512 2.165 -10.178 219 HB3 PHE 31 1HB PHE 31 -2.828 0.475 -10.555 220 HD1 PHE 31 1HD PHE 31 -5.065 -0.156 -8.793 221 HD2 PHE 31 2HD PHE 31 -4.284 3.355 -11.067 222 HE1 PHE 31 1HE PHE 31 -7.479 0.314 -8.889 223 HE2 PHE 31 2HE PHE 31 -6.695 3.833 -11.167 224 HZ PHE 31 HZ PHE 31 -8.296 2.312 -10.075 225 H GLU 32 H GLU 32 -0.996 2.839 -8.852 226 HA GLU 32 HA GLU 32 1.407 1.668 -9.496 227 HB2 GLU 32 2HB GLU 32 0.700 4.262 -8.164 228 HB3 GLU 32 1HB GLU 32 2.381 3.828 -8.446 229 HG2 GLU 32 2HG GLU 32 1.427 5.265 -10.203 230 HG3 GLU 32 1HG GLU 32 2.018 3.721 -10.807 231 H LEU 33 H LEU 33 0.012 2.211 -6.319 232 HA LEU 33 HA LEU 33 2.337 1.647 -4.807 233 HB2 LEU 33 2HB LEU 33 0.623 2.773 -3.670 234 HB3 LEU 33 1HB LEU 33 -0.602 1.638 -4.201 235 HG LEU 33 HG LEU 33 0.180 -0.036 -2.663 236 HD11 LEU 33 1HD1 LEU 33 2.318 1.855 -1.727 237 HD12 LEU 33 2HD1 LEU 33 2.612 0.606 -2.935 238 HD13 LEU 33 3HD1 LEU 33 2.098 0.157 -1.309 239 HD21 LEU 33 3HD2 LEU 33 -1.328 1.683 -1.779 240 HD22 LEU 33 1HD2 LEU 33 0.065 2.644 -1.284 241 HD23 LEU 33 2HD2 LEU 33 -0.231 1.073 -0.540 242 H GLN 34 H GLN 34 -0.436 -0.372 -5.751 243 HA GLN 34 HA GLN 34 0.359 -2.740 -4.526 244 HB2 GLN 34 2HB GLN 34 -1.105 -2.473 -7.157 245 HB3 GLN 34 1HB GLN 34 -1.108 -3.879 -6.102 246 HG2 GLN 34 2HG GLN 34 -1.958 -1.392 -4.813 247 HG3 GLN 34 1HG GLN 34 -3.003 -1.938 -6.123 248 HE21 GLN 34 1HE2 GLN 34 -1.156 -3.544 -3.551 249 HE22 GLN 34 2HE2 GLN 34 -2.478 -4.478 -2.952 250 H GLU 35 H GLU 35 1.570 -1.196 -7.383 251 HA GLU 35 HA GLU 35 2.878 -3.539 -8.422 252 HB2 GLU 35 2HB GLU 35 2.102 -1.650 -9.857 253 HB3 GLU 35 1HB GLU 35 3.343 -0.639 -9.133 254 HG2 GLU 35 2HG GLU 35 4.865 -1.397 -10.545 255 HG3 GLU 35 1HG GLU 35 4.515 -3.066 -10.099 256 H SER 36 H SER 36 3.679 -0.942 -6.248 257 HA SER 36 HA SER 36 6.507 -1.267 -6.363 258 HB2 SER 36 2HB SER 36 4.838 -0.066 -4.140 259 HB3 SER 36 1HB SER 36 6.566 0.174 -4.401 260 HG SER 36 HG SER 36 5.983 1.123 -6.448 261 H ILE 37 H ILE 37 4.026 -2.331 -4.042 262 HA ILE 37 HA ILE 37 5.750 -3.711 -2.314 263 HB ILE 37 HB ILE 37 2.871 -4.412 -2.900 264 HG12 ILE 37 2HG1 ILE 37 3.394 -2.802 -0.523 265 HG13 ILE 37 1HG1 ILE 37 3.833 -1.967 -2.009 266 HG21 ILE 37 1HG2 ILE 37 4.361 -5.993 -1.546 267 HG22 ILE 37 2HG2 ILE 37 2.821 -5.508 -0.839 268 HG23 ILE 37 3HG2 ILE 37 4.318 -4.751 -0.296 269 HD11 ILE 37 3HD1 ILE 37 1.681 -1.852 -2.740 270 HD12 ILE 37 1HD1 ILE 37 1.415 -1.808 -0.997 271 HD13 ILE 37 2HD1 ILE 37 1.193 -3.315 -1.885 272 H ALA 38 H ALA 38 4.121 -4.694 -5.272 273 HA ALA 38 HA ALA 38 4.573 -7.449 -5.135 274 HB1 ALA 38 1HB ALA 38 4.060 -7.525 -7.438 275 HB2 ALA 38 2HB ALA 38 4.595 -5.863 -7.690 276 HB3 ALA 38 3HB ALA 38 3.118 -6.186 -6.782 277 H ARG 39 H ARG 39 6.779 -4.872 -5.592 278 HA ARG 39 HA ARG 39 8.791 -6.545 -6.872 279 HB2 ARG 39 2HB ARG 39 9.394 -3.798 -5.871 280 HB3 ARG 39 1HB ARG 39 9.971 -4.612 -7.318 281 HG2 ARG 39 2HG ARG 39 7.527 -4.402 -8.129 282 HG3 ARG 39 1HG ARG 39 7.386 -3.185 -6.860 283 HD2 ARG 39 2HD ARG 39 9.472 -2.129 -7.878 284 HD3 ARG 39 1HD ARG 39 9.185 -3.179 -9.264 285 HE ARG 39 HE ARG 39 6.858 -1.694 -8.553 286 HH11 ARG 39 1HH1 ARG 39 9.914 -1.471 -10.222 287 HH12 ARG 39 2HH1 ARG 39 9.389 -0.200 -11.274 288 HH21 ARG 39 1HH2 ARG 39 6.166 -0.022 -9.935 289 HH22 ARG 39 2HH2 ARG 39 7.261 0.623 -11.112 290 H GLU 40 H GLU 40 8.339 -4.737 -3.856 291 HA GLU 40 HA GLU 40 10.756 -5.554 -2.650 292 HB2 GLU 40 2HB GLU 40 8.371 -4.071 -1.882 293 HB3 GLU 40 1HB GLU 40 8.997 -5.049 -0.562 294 HG2 GLU 40 2HG GLU 40 9.888 -2.761 -0.577 295 HG3 GLU 40 1HG GLU 40 11.144 -3.988 -0.723 296 H PHE 41 H PHE 41 7.537 -6.956 -2.732 297 HA PHE 41 HA PHE 41 8.541 -9.222 -1.139 298 HB2 PHE 41 2HB PHE 41 5.673 -8.328 -1.479 299 HB3 PHE 41 1HB PHE 41 6.239 -9.649 -0.461 300 HD1 PHE 41 1HD PHE 41 6.226 -5.992 -0.890 301 HD2 PHE 41 2HD PHE 41 7.142 -9.246 1.691 302 HE1 PHE 41 1HE PHE 41 6.515 -4.420 0.981 303 HE2 PHE 41 2HE PHE 41 7.431 -7.683 3.568 304 HZ PHE 41 HZ PHE 41 7.118 -5.266 3.215 305 H ASN 42 H ASN 42 6.777 -11.157 -1.651 306 HA ASN 42 HA ASN 42 7.078 -11.600 -4.544 307 HB2 ASN 42 2HB ASN 42 6.943 -13.610 -2.288 308 HB3 ASN 42 1HB ASN 42 7.071 -14.016 -3.998 309 HD21 ASN 42 1HD2 ASN 42 8.682 -12.111 -1.485 310 HD22 ASN 42 2HD2 ASN 42 10.289 -12.418 -2.040 311 H ILE 43 H ILE 43 4.856 -10.164 -3.711 312 HA ILE 43 HA ILE 43 2.710 -12.101 -4.238 313 HB ILE 43 HB ILE 43 2.446 -9.686 -2.442 314 HG12 ILE 43 2HG1 ILE 43 1.882 -11.924 -0.933 315 HG13 ILE 43 1HG1 ILE 43 3.240 -12.459 -1.919 316 HG21 ILE 43 1HG2 ILE 43 0.476 -11.919 -2.876 317 HG22 ILE 43 2HG2 ILE 43 0.429 -10.401 -3.771 318 HG23 ILE 43 3HG2 ILE 43 0.223 -10.399 -2.019 319 HD11 ILE 43 3HD1 ILE 43 4.389 -11.594 -0.183 320 HD12 ILE 43 1HD1 ILE 43 3.127 -10.430 0.221 321 HD13 ILE 43 2HD1 ILE 43 4.214 -10.118 -1.133 322 HA PRO 44 HA PRO 44 1.910 -9.407 -7.672 323 HB2 PRO 44 2HB PRO 44 -0.542 -10.348 -8.353 324 HB3 PRO 44 1HB PRO 44 0.951 -11.231 -8.690 325 HG2 PRO 44 2HG PRO 44 -1.014 -11.611 -6.466 326 HG3 PRO 44 1HG PRO 44 -0.192 -12.833 -7.453 327 HD2 PRO 44 2HD PRO 44 0.624 -12.181 -4.948 328 HD3 PRO 44 1HD PRO 44 1.748 -12.711 -6.213 329 HA PRO 45 HA PRO 45 -0.619 -6.045 -6.363 330 HB2 PRO 45 2HB PRO 45 -1.914 -5.293 -8.638 331 HB3 PRO 45 1HB PRO 45 -0.199 -4.979 -8.349 332 HG2 PRO 45 2HG PRO 45 -1.483 -7.162 -9.947 333 HG3 PRO 45 1HG PRO 45 -0.065 -6.173 -10.340 334 HD2 PRO 45 2HD PRO 45 0.156 -8.690 -9.393 335 HD3 PRO 45 1HD PRO 45 1.338 -7.425 -8.999 336 H TYR 46 H TYR 46 -2.182 -8.768 -7.852 337 HA TYR 46 HA TYR 46 -4.817 -7.862 -6.979 338 HB2 TYR 46 2HB TYR 46 -5.708 -9.741 -8.228 339 HB3 TYR 46 1HB TYR 46 -4.582 -8.840 -9.237 340 HD1 TYR 46 2HD TYR 46 -2.397 -9.796 -9.817 341 HD2 TYR 46 1HD TYR 46 -5.239 -12.000 -7.544 342 HE1 TYR 46 2HE TYR 46 -1.151 -11.866 -10.277 343 HE2 TYR 46 1HE TYR 46 -4.001 -14.076 -7.997 344 HH TYR 46 HH TYR 46 -1.153 -14.398 -8.729 345 H LEU 47 H LEU 47 -2.420 -9.042 -5.317 346 HA LEU 47 HA LEU 47 -4.160 -10.703 -3.640 347 HB2 LEU 47 2HB LEU 47 -1.377 -11.399 -4.555 348 HB3 LEU 47 1HB LEU 47 -2.134 -12.150 -3.164 349 HG LEU 47 HG LEU 47 -3.107 -12.299 -6.016 350 HD11 LEU 47 1HD1 LEU 47 -2.530 -14.639 -5.874 351 HD12 LEU 47 2HD1 LEU 47 -2.004 -14.439 -4.204 352 HD13 LEU 47 3HD1 LEU 47 -1.112 -13.655 -5.508 353 HD21 LEU 47 3HD2 LEU 47 -4.760 -13.901 -5.107 354 HD22 LEU 47 1HD2 LEU 47 -5.003 -12.251 -4.536 355 HD23 LEU 47 2HD2 LEU 47 -4.256 -13.450 -3.478 356 H GLN 48 H GLN 48 -2.502 -7.948 -3.774 357 HA GLN 48 HA GLN 48 -1.436 -8.169 -1.045 358 HB2 GLN 48 2HB GLN 48 -0.783 -6.250 -3.278 359 HB3 GLN 48 1HB GLN 48 -0.208 -6.045 -1.629 360 HG2 GLN 48 2HG GLN 48 1.024 -8.098 -1.740 361 HG3 GLN 48 1HG GLN 48 0.338 -8.471 -3.320 362 HE21 GLN 48 1HE2 GLN 48 0.571 -6.135 -4.659 363 HE22 GLN 48 2HE2 GLN 48 2.234 -5.701 -4.830 364 H CYS 49 H CYS 49 -2.815 -7.481 0.441 365 HA CYS 49 HA CYS 49 -4.608 -5.241 -0.199 366 HB2 CYS 49 2HB CYS 49 -5.786 -7.211 0.567 367 HB3 CYS 49 1HB CYS 49 -4.742 -7.340 1.975 368 HG CYS 49 HG CYS 49 -6.371 -5.966 3.157 369 H ILE 50 H ILE 50 -3.623 -3.378 0.280 370 HA ILE 50 HA ILE 50 -1.701 -3.132 2.391 371 HB ILE 50 HB ILE 50 -3.015 -0.914 0.825 372 HG12 ILE 50 2HG1 ILE 50 -0.316 -1.686 0.026 373 HG13 ILE 50 1HG1 ILE 50 -1.478 -2.990 -0.202 374 HG21 ILE 50 1HG2 ILE 50 -0.607 0.036 1.334 375 HG22 ILE 50 2HG2 ILE 50 -0.706 -1.085 2.692 376 HG23 ILE 50 3HG2 ILE 50 -1.918 0.182 2.506 377 HD11 ILE 50 3HD1 ILE 50 -2.789 -1.689 -1.665 378 HD12 ILE 50 1HD1 ILE 50 -1.113 -1.463 -2.165 379 HD13 ILE 50 2HD1 ILE 50 -1.933 -0.209 -1.234 380 H ARG 51 H ARG 51 -1.824 -1.857 4.239 381 HA ARG 51 HA ARG 51 -4.417 -0.852 5.092 382 HB2 ARG 51 2HB ARG 51 -2.883 -2.760 6.853 383 HB3 ARG 51 1HB ARG 51 -4.507 -2.130 7.098 384 HG2 ARG 51 2HG ARG 51 -5.103 -3.342 4.927 385 HG3 ARG 51 1HG ARG 51 -3.575 -4.196 5.140 386 HD2 ARG 51 2HD ARG 51 -5.150 -4.136 7.577 387 HD3 ARG 51 1HD ARG 51 -6.019 -4.876 6.235 388 HE ARG 51 HE ARG 51 -3.311 -5.815 6.637 389 HH11 ARG 51 1HH1 ARG 51 -6.701 -6.317 7.312 390 HH12 ARG 51 2HH1 ARG 51 -6.503 -7.997 7.684 391 HH21 ARG 51 1HH2 ARG 51 -3.054 -8.022 7.128 392 HH22 ARG 51 2HH2 ARG 51 -4.435 -8.964 7.581 393 H TYR 52 H TYR 52 -4.247 0.925 6.362 394 HA TYR 52 HA TYR 52 -1.622 1.546 7.530 395 HB2 TYR 52 2HB TYR 52 -1.753 3.840 6.743 396 HB3 TYR 52 1HB TYR 52 -1.853 2.739 5.373 397 HD1 TYR 52 2HD TYR 52 -4.331 2.091 4.678 398 HD2 TYR 52 1HD TYR 52 -3.255 5.591 6.844 399 HE1 TYR 52 2HE TYR 52 -6.417 3.173 3.954 400 HE2 TYR 52 1HE TYR 52 -5.338 6.683 6.126 401 HH TYR 52 HH TYR 52 -7.902 4.989 4.691 402 H GLY 53 H GLY 53 -1.666 3.058 9.283 403 HA2 GLY 53 2HA GLY 53 -2.576 4.119 11.118 404 HA3 GLY 53 1HA GLY 53 -4.148 4.018 10.342 405 H PHE 54 H PHE 54 -4.006 3.677 13.014 406 HA PHE 54 HA PHE 54 -4.452 0.786 13.341 407 HB2 PHE 54 2HB PHE 54 -2.602 2.413 14.716 408 HB3 PHE 54 1HB PHE 54 -3.896 2.062 15.858 409 HD1 PHE 54 1HD PHE 54 -4.673 -0.504 15.783 410 HD2 PHE 54 2HD PHE 54 -0.836 0.961 14.668 411 HE1 PHE 54 1HE PHE 54 -3.708 -2.729 16.193 412 HE2 PHE 54 2HE PHE 54 0.135 -1.263 15.076 413 HZ PHE 54 HZ PHE 54 -1.301 -3.112 15.839 414 HA PRO 55 HA PRO 55 -5.861 -0.692 14.023 415 HB2 PRO 55 2HB PRO 55 -8.528 -0.766 12.768 416 HB3 PRO 55 1HB PRO 55 -7.836 -1.827 13.998 417 HG2 PRO 55 2HG PRO 55 -9.756 -0.060 14.601 418 HG3 PRO 55 1HG PRO 55 -8.445 -0.431 15.737 419 HD2 PRO 55 2HD PRO 55 -8.770 1.932 13.922 420 HD3 PRO 55 1HD PRO 55 -8.211 1.875 15.608 421 HA PRO 56 HA PRO 56 -4.729 -0.201 9.791 422 HB2 PRO 56 2HB PRO 56 -4.680 -2.764 8.921 423 HB3 PRO 56 1HB PRO 56 -3.475 -2.115 10.038 424 HG2 PRO 56 2HG PRO 56 -5.899 -3.773 10.616 425 HG3 PRO 56 1HG PRO 56 -4.261 -3.913 11.284 426 HD2 PRO 56 2HD PRO 56 -6.293 -2.709 12.617 427 HD3 PRO 56 1HD PRO 56 -4.600 -2.216 12.798 428 H LYS 57 H LYS 57 -5.791 0.415 8.063 429 HA LYS 57 HA LYS 57 -8.541 -0.430 7.652 430 HB2 LYS 57 2HB LYS 57 -6.880 1.644 6.208 431 HB3 LYS 57 1HB LYS 57 -8.594 1.357 5.946 432 HG2 LYS 57 2HG LYS 57 -7.305 2.352 8.478 433 HG3 LYS 57 1HG LYS 57 -8.293 3.284 7.353 434 HD2 LYS 57 2HD LYS 57 -9.916 1.153 7.963 435 HD3 LYS 57 1HD LYS 57 -9.093 1.466 9.493 436 HE2 LYS 57 2HE LYS 57 -10.239 3.751 7.955 437 HE3 LYS 57 1HE LYS 57 -11.319 2.714 8.887 438 HZ1 LYS 57 3HZ LYS 57 -10.362 3.348 10.865 439 HZ2 LYS 57 1HZ LYS 57 -10.285 4.792 9.986 440 HZ3 LYS 57 2HZ LYS 57 -8.905 3.827 10.151 441 H GLU 58 H GLU 58 -9.136 -0.577 5.175 442 HA GLU 58 HA GLU 58 -7.461 -2.724 4.111 443 HB2 GLU 58 2HB GLU 58 -9.847 -3.194 4.397 444 HB3 GLU 58 1HB GLU 58 -10.249 -1.845 3.343 445 HG2 GLU 58 2HG GLU 58 -9.478 -2.938 1.440 446 HG3 GLU 58 1HG GLU 58 -8.531 -4.094 2.375 447 H LEU 59 H LEU 59 -8.158 0.574 3.554 448 HA LEU 59 HA LEU 59 -7.709 2.023 1.851 449 HB2 LEU 59 2HB LEU 59 -5.436 1.281 2.578 450 HB3 LEU 59 1HB LEU 59 -5.463 0.087 1.297 451 HG LEU 59 HG LEU 59 -5.181 1.667 -0.376 452 HD11 LEU 59 1HD1 LEU 59 -6.365 3.636 1.557 453 HD12 LEU 59 2HD1 LEU 59 -6.956 3.157 -0.035 454 HD13 LEU 59 3HD1 LEU 59 -5.506 4.153 0.106 455 HD21 LEU 59 3HD2 LEU 59 -3.419 3.233 0.394 456 HD22 LEU 59 1HD2 LEU 59 -3.165 1.568 0.919 457 HD23 LEU 59 2HD2 LEU 59 -3.785 2.766 2.056 458 H MET 60 H MET 60 -9.564 1.628 0.618 459 HA MET 60 HA MET 60 -9.597 -0.432 -1.383 460 HB2 MET 60 2HB MET 60 -11.484 1.907 -1.095 461 HB3 MET 60 1HB MET 60 -11.780 0.400 -1.955 462 HG2 MET 60 2HG MET 60 -11.710 -0.826 0.139 463 HG3 MET 60 1HG MET 60 -11.372 0.667 1.013 464 HE1 MET 60 3HE MET 60 -13.499 -1.223 -1.267 465 HE2 MET 60 1HE MET 60 -14.974 -0.280 -1.477 466 HE3 MET 60 2HE MET 60 -14.854 -1.447 -0.160 467 HA PRO 61 HA PRO 61 -7.813 1.665 -4.812 468 HB2 PRO 61 2HB PRO 61 -9.397 0.772 -6.849 469 HB3 PRO 61 1HB PRO 61 -8.152 -0.217 -6.077 470 HG2 PRO 61 2HG PRO 61 -11.107 -0.169 -5.587 471 HG3 PRO 61 1HG PRO 61 -10.020 -1.564 -5.729 472 HD2 PRO 61 2HD PRO 61 -10.852 -0.655 -3.343 473 HD3 PRO 61 1HD PRO 61 -9.221 -1.320 -3.573 474 HA PRO 62 HA PRO 62 -10.029 5.424 -5.465 475 HB2 PRO 62 2HB PRO 62 -8.926 6.171 -7.859 476 HB3 PRO 62 1HB PRO 62 -8.126 6.377 -6.299 477 HG2 PRO 62 2HG PRO 62 -7.766 4.231 -8.352 478 HG3 PRO 62 1HG PRO 62 -6.541 5.080 -7.390 479 HD2 PRO 62 2HD PRO 62 -7.367 2.604 -6.759 480 HD3 PRO 62 1HD PRO 62 -6.945 3.794 -5.510 481 H GLN 63 H GLN 63 -10.968 6.602 -7.618 482 HA GLN 63 HA GLN 63 -12.353 4.695 -9.322 483 HB2 GLN 63 2HB GLN 63 -14.568 5.593 -8.796 484 HB3 GLN 63 1HB GLN 63 -13.820 4.887 -7.370 485 HG2 GLN 63 2HG GLN 63 -13.121 7.197 -6.705 486 HG3 GLN 63 1HG GLN 63 -14.115 7.803 -8.029 487 HE21 GLN 63 1HE2 GLN 63 -14.541 5.296 -5.551 488 HE22 GLN 63 2HE2 GLN 63 -16.055 5.889 -4.968 489 H ALA 64 H ALA 64 -14.129 6.280 -10.581 490 HA ALA 64 HA ALA 64 -12.626 7.723 -12.400 491 HB1 ALA 64 1HB ALA 64 -15.157 6.911 -12.368 492 HB2 ALA 64 2HB ALA 64 -14.587 8.179 -13.453 493 HB3 ALA 64 3HB ALA 64 -15.420 8.606 -11.958 494 H GLY 65 H GLY 65 -11.217 9.200 -11.526 495 HA2 GLY 65 2HA GLY 65 -11.231 11.698 -11.381 496 HA3 GLY 65 1HA GLY 65 -12.449 11.497 -10.131 497 H MET 66 H MET 66 -11.022 9.111 -9.058 498 HA MET 66 HA MET 66 -8.936 10.586 -7.601 499 HB2 MET 66 2HB MET 66 -10.849 8.431 -6.822 500 HB3 MET 66 1HB MET 66 -9.303 8.524 -5.990 501 HG2 MET 66 2HG MET 66 -10.763 11.063 -6.226 502 HG3 MET 66 1HG MET 66 -11.529 9.833 -5.223 503 HE1 MET 66 3HE MET 66 -10.655 11.296 -2.343 504 HE2 MET 66 1HE MET 66 -11.451 11.831 -3.823 505 HE3 MET 66 2HE MET 66 -10.005 12.662 -3.249 506 H GLU 67 H GLU 67 -9.370 8.154 -9.897 507 HA GLU 67 HA GLU 67 -7.458 6.248 -9.272 508 HB2 GLU 67 2HB GLU 67 -7.296 5.861 -11.719 509 HB3 GLU 67 1HB GLU 67 -8.954 5.948 -11.142 510 HG2 GLU 67 2HG GLU 67 -8.778 8.449 -11.829 511 HG3 GLU 67 1HG GLU 67 -7.431 7.886 -12.817 512 H LYS 68 H LYS 68 -7.062 9.493 -10.496 513 HA LYS 68 HA LYS 68 -4.252 9.120 -11.089 514 HB2 LYS 68 2HB LYS 68 -5.925 11.637 -11.057 515 HB3 LYS 68 1HB LYS 68 -4.285 11.505 -11.676 516 HG2 LYS 68 2HG LYS 68 -4.958 10.641 -13.623 517 HG3 LYS 68 1HG LYS 68 -6.151 9.591 -12.855 518 HD2 LYS 68 2HD LYS 68 -6.593 12.550 -13.090 519 HD3 LYS 68 1HD LYS 68 -6.998 11.453 -14.411 520 HE2 LYS 68 2HE LYS 68 -8.042 10.355 -12.011 521 HE3 LYS 68 1HE LYS 68 -8.499 12.057 -12.070 522 HZ1 LYS 68 3HZ LYS 68 -8.837 10.562 -14.539 523 HZ2 LYS 68 1HZ LYS 68 -9.838 11.728 -13.831 524 HZ3 LYS 68 2HZ LYS 68 -9.873 10.132 -13.273 525 H GLU 69 H GLU 69 -6.152 9.948 -8.375 526 HA GLU 69 HA GLU 69 -4.273 11.615 -7.035 527 HB2 GLU 69 2HB GLU 69 -6.575 9.976 -5.963 528 HB3 GLU 69 1HB GLU 69 -5.667 11.155 -5.026 529 HG2 GLU 69 2HG GLU 69 -6.938 12.006 -7.578 530 HG3 GLU 69 1HG GLU 69 -7.942 11.785 -6.147 531 HA PRO 70 HA PRO 70 -1.472 8.471 -5.651 532 HB2 PRO 70 2HB PRO 70 -0.207 9.836 -3.692 533 HB3 PRO 70 1HB PRO 70 0.050 10.183 -5.405 534 HG2 PRO 70 2HG PRO 70 -1.685 11.606 -3.423 535 HG3 PRO 70 1HG PRO 70 -0.608 12.284 -4.659 536 HD2 PRO 70 2HD PRO 70 -3.300 12.079 -4.989 537 HD3 PRO 70 1HD PRO 70 -2.151 11.998 -6.339 538 H VAL 71 H VAL 71 -0.803 7.340 -3.646 539 HA VAL 71 HA VAL 71 -3.037 6.447 -2.190 540 HB VAL 71 HB VAL 71 -1.264 5.348 -0.706 541 HG11 VAL 71 1HG1 VAL 71 -0.505 4.307 -3.251 542 HG12 VAL 71 2HG1 VAL 71 -2.208 4.763 -3.302 543 HG13 VAL 71 3HG1 VAL 71 -1.632 3.639 -2.071 544 HG21 VAL 71 3HG2 VAL 71 0.986 5.451 -1.281 545 HG22 VAL 71 1HG2 VAL 71 0.455 7.126 -1.435 546 HG23 VAL 71 2HG2 VAL 71 0.648 6.127 -2.875 547 HA PRO 72 HA PRO 72 -3.233 9.131 1.320 548 HB2 PRO 72 2HB PRO 72 -3.872 7.472 3.337 549 HB3 PRO 72 1HB PRO 72 -4.992 7.796 2.008 550 HG2 PRO 72 2HG PRO 72 -3.146 5.464 2.391 551 HG3 PRO 72 1HG PRO 72 -4.856 5.462 1.923 552 HD2 PRO 72 2HD PRO 72 -2.867 5.220 0.115 553 HD3 PRO 72 1HD PRO 72 -4.390 6.045 -0.261 554 H LEU 73 H LEU 73 -0.696 7.022 0.980 555 HA LEU 73 HA LEU 73 0.487 7.651 3.584 556 HB2 LEU 73 2HB LEU 73 1.868 5.864 1.661 557 HB3 LEU 73 1HB LEU 73 1.740 5.750 3.406 558 HG LEU 73 HG LEU 73 -0.615 5.193 1.620 559 HD11 LEU 73 1HD1 LEU 73 1.617 3.356 2.405 560 HD12 LEU 73 2HD1 LEU 73 0.937 3.650 0.805 561 HD13 LEU 73 3HD1 LEU 73 0.004 2.763 2.010 562 HD21 LEU 73 3HD2 LEU 73 -1.059 5.594 3.990 563 HD22 LEU 73 1HD2 LEU 73 0.080 4.318 4.419 564 HD23 LEU 73 2HD2 LEU 73 -1.397 3.922 3.540 565 H GLN 74 H GLN 74 2.485 8.652 3.772 566 HA GLN 74 HA GLN 74 3.569 9.850 1.312 567 HB2 GLN 74 2HB GLN 74 3.092 11.181 3.979 568 HB3 GLN 74 1HB GLN 74 4.094 11.878 2.713 569 HG2 GLN 74 2HG GLN 74 2.109 12.927 2.314 570 HG3 GLN 74 1HG GLN 74 1.960 11.531 1.246 571 HE21 GLN 74 1HE2 GLN 74 -0.072 10.898 1.250 572 HE22 GLN 74 2HE2 GLN 74 -1.075 10.701 2.643 573 H HIS 75 H HIS 75 5.772 11.006 2.001 574 HA HIS 75 HA HIS 75 7.621 8.979 2.460 575 HB2 HIS 75 2HB HIS 75 7.960 11.308 1.416 576 HB3 HIS 75 1HB HIS 75 8.200 11.870 3.067 577 HD1 HIS 75 1HD HIS 75 9.772 9.112 3.826 578 HD2 HIS 75 2HD HIS 75 10.650 11.810 0.791 579 HE1 HIS 75 1HE HIS 75 12.214 8.785 3.323 580 HE2 HIS 75 2HE HIS 75 12.700 10.363 1.420 581 H GLY 76 H GLY 76 7.750 7.809 4.262 582 HA2 GLY 76 2HA GLY 76 8.715 7.720 6.479 583 HA3 GLY 76 1HA GLY 76 7.950 9.263 6.819 584 H ASP 77 H ASP 77 5.862 7.241 5.103 585 HA ASP 77 HA ASP 77 4.302 6.786 7.514 586 HB2 ASP 77 2HB ASP 77 3.756 6.989 4.636 587 HB3 ASP 77 1HB ASP 77 2.836 5.725 5.448 588 H ARG 78 H ARG 78 2.984 4.600 7.358 589 HA ARG 78 HA ARG 78 4.717 2.372 6.598 590 HB2 ARG 78 2HB ARG 78 4.249 1.296 8.838 591 HB3 ARG 78 1HB ARG 78 5.369 2.650 8.869 592 HG2 ARG 78 2HG ARG 78 2.709 3.618 9.264 593 HG3 ARG 78 1HG ARG 78 3.029 2.294 10.387 594 HD2 ARG 78 2HD ARG 78 5.215 3.485 10.916 595 HD3 ARG 78 1HD ARG 78 4.544 4.869 10.054 596 HE ARG 78 HE ARG 78 3.211 5.293 11.860 597 HH11 ARG 78 1HH1 ARG 78 4.397 2.021 12.097 598 HH12 ARG 78 2HH1 ARG 78 3.756 1.770 13.686 599 HH21 ARG 78 1HH2 ARG 78 2.367 4.968 13.951 600 HH22 ARG 78 2HH2 ARG 78 2.603 3.443 14.739 601 H ILE 79 H ILE 79 3.631 0.467 6.156 602 HA ILE 79 HA ILE 79 0.723 0.477 6.486 603 HB ILE 79 HB ILE 79 0.682 -0.493 4.062 604 HG12 ILE 79 2HG1 ILE 79 3.043 1.378 3.851 605 HG13 ILE 79 1HG1 ILE 79 3.192 -0.377 3.862 606 HG21 ILE 79 1HG2 ILE 79 1.054 2.439 4.046 607 HG22 ILE 79 2HG2 ILE 79 -0.150 1.778 5.152 608 HG23 ILE 79 3HG2 ILE 79 -0.273 1.459 3.423 609 HD11 ILE 79 3HD1 ILE 79 2.980 1.139 1.636 610 HD12 ILE 79 1HD1 ILE 79 1.297 0.680 1.895 611 HD13 ILE 79 2HD1 ILE 79 2.536 -0.565 1.733 612 H THR 80 H THR 80 -0.232 -1.642 5.763 613 HA THR 80 HA THR 80 1.610 -3.883 6.200 614 HB THR 80 HB THR 80 -1.102 -3.589 7.501 615 HG1 THR 80 1HG THR 80 -0.072 -2.697 9.075 616 HG21 THR 80 3HG2 THR 80 -0.789 -5.616 8.567 617 HG22 THR 80 1HG2 THR 80 0.938 -5.651 8.209 618 HG23 THR 80 2HG2 THR 80 -0.235 -5.937 6.923 619 H ILE 81 H ILE 81 1.385 -5.442 4.735 620 HA ILE 81 HA ILE 81 -0.922 -5.322 2.937 621 HB ILE 81 HB ILE 81 1.640 -6.862 2.549 622 HG12 ILE 81 2HG1 ILE 81 2.175 -4.508 2.677 623 HG13 ILE 81 1HG1 ILE 81 2.255 -5.016 0.994 624 HG21 ILE 81 1HG2 ILE 81 0.913 -6.800 0.158 625 HG22 ILE 81 2HG2 ILE 81 -0.632 -6.148 0.705 626 HG23 ILE 81 3HG2 ILE 81 -0.124 -7.757 1.215 627 HD11 ILE 81 3HD1 ILE 81 -0.241 -4.163 0.991 628 HD12 ILE 81 1HD1 ILE 81 1.119 -3.064 0.761 629 HD13 ILE 81 2HD1 ILE 81 0.348 -3.194 2.342 630 H GLU 82 H GLU 82 -1.966 -7.273 2.257 631 HA GLU 82 HA GLU 82 -1.610 -9.566 4.049 632 HB2 GLU 82 2HB GLU 82 -3.471 -8.697 5.092 633 HB3 GLU 82 1HB GLU 82 -4.081 -7.952 3.625 634 HG2 GLU 82 2HG GLU 82 -4.825 -10.103 2.802 635 HG3 GLU 82 1HG GLU 82 -4.132 -10.905 4.209 636 H ILE 83 H ILE 83 -1.168 -11.283 2.854 637 HA ILE 83 HA ILE 83 -1.518 -11.378 0.059 638 HB ILE 83 HB ILE 83 -1.013 -13.647 1.990 639 HG12 ILE 83 2HG1 ILE 83 1.288 -13.143 0.512 640 HG13 ILE 83 1HG1 ILE 83 0.664 -11.536 0.869 641 HG21 ILE 83 1HG2 ILE 83 -1.902 -14.518 -0.072 642 HG22 ILE 83 2HG2 ILE 83 -0.170 -14.846 -0.010 643 HG23 ILE 83 3HG2 ILE 83 -0.784 -13.533 -1.015 644 HD11 ILE 83 3HD1 ILE 83 1.804 -13.574 2.667 645 HD12 ILE 83 1HD1 ILE 83 0.459 -12.627 3.297 646 HD13 ILE 83 2HD1 ILE 83 1.914 -11.815 2.722 647 H LEU 84 H LEU 84 -3.473 -11.356 -0.841 648 HA LEU 84 HA LEU 84 -5.791 -12.473 0.377 649 HB2 LEU 84 2HB LEU 84 -5.483 -11.740 -2.527 650 HB3 LEU 84 1HB LEU 84 -6.961 -11.797 -1.586 651 HG LEU 84 HG LEU 84 -4.736 -9.774 -1.348 652 HD11 LEU 84 1HD1 LEU 84 -7.582 -9.085 -1.826 653 HD12 LEU 84 2HD1 LEU 84 -6.655 -9.760 -3.166 654 HD13 LEU 84 3HD1 LEU 84 -6.112 -8.281 -2.376 655 HD21 LEU 84 3HD2 LEU 84 -6.650 -10.653 0.621 656 HD22 LEU 84 1HD2 LEU 84 -6.915 -8.961 0.198 657 HD23 LEU 84 2HD2 LEU 84 -5.334 -9.490 0.774 658 H LYS 85 H LYS 85 -7.217 -13.991 -1.013 659 HA LYS 85 HA LYS 85 -5.605 -16.364 -1.563 660 HB2 LYS 85 2HB LYS 85 -8.324 -15.858 -0.569 661 HB3 LYS 85 1HB LYS 85 -8.221 -17.174 -1.729 662 HG2 LYS 85 2HG LYS 85 -6.270 -17.101 0.514 663 HG3 LYS 85 1HG LYS 85 -7.932 -17.596 0.843 664 HD2 LYS 85 2HD LYS 85 -7.317 -19.640 0.189 665 HD3 LYS 85 1HD LYS 85 -7.276 -18.994 -1.452 666 HE2 LYS 85 2HE LYS 85 -5.151 -19.747 -1.401 667 HE3 LYS 85 1HE LYS 85 -4.853 -18.214 -0.584 668 HZ1 LYS 85 3HZ LYS 85 -3.936 -19.551 0.952 669 HZ2 LYS 85 1HZ LYS 85 -4.816 -20.915 0.474 670 HZ3 LYS 85 2HZ LYS 85 -5.531 -19.754 1.476 671 H GLY 86 H GLY 86 -4.872 -16.162 -3.615 672 HA2 GLY 86 2HA GLY 86 -6.620 -15.317 -5.763 673 HA3 GLY 86 1HA GLY 86 -4.936 -15.796 -5.913 Start of MODEL 11 1 H1 LYS 6 H LYS 6 11.931 14.189 -6.477 2 HA LYS 6 HA LYS 6 13.139 11.556 -6.090 3 HB2 LYS 6 2HB LYS 6 14.570 13.233 -4.919 4 HB3 LYS 6 1HB LYS 6 13.177 13.685 -3.945 5 HG2 LYS 6 2HG LYS 6 13.326 11.858 -2.639 6 HG3 LYS 6 1HG LYS 6 13.835 10.816 -3.970 7 HD2 LYS 6 2HD LYS 6 16.054 12.116 -3.857 8 HD3 LYS 6 1HD LYS 6 15.493 12.652 -2.271 9 HE2 LYS 6 2HE LYS 6 15.805 9.781 -3.146 10 HE3 LYS 6 1HE LYS 6 16.937 10.668 -2.126 11 HZ1 LYS 6 3HZ LYS 6 15.724 9.743 -0.494 12 HZ2 LYS 6 1HZ LYS 6 14.355 9.519 -1.464 13 HZ3 LYS 6 2HZ LYS 6 14.672 11.035 -0.784 14 H GLU 7 H GLU 7 11.540 10.184 -5.725 15 HA GLU 7 HA GLU 7 8.921 11.045 -4.987 16 HB2 GLU 7 2HB GLU 7 8.398 8.619 -4.990 17 HB3 GLU 7 1HB GLU 7 9.188 9.154 -6.464 18 HG2 GLU 7 2HG GLU 7 11.320 8.391 -4.980 19 HG3 GLU 7 1HG GLU 7 10.088 7.268 -4.413 20 H LYS 8 H LYS 8 7.965 9.164 -3.233 21 HA LYS 8 HA LYS 8 9.341 9.929 -0.762 22 HB2 LYS 8 2HB LYS 8 7.251 9.672 0.366 23 HB3 LYS 8 1HB LYS 8 6.954 10.620 -1.080 24 HG2 LYS 8 2HG LYS 8 6.559 7.928 -1.792 25 HG3 LYS 8 1HG LYS 8 5.750 8.170 -0.244 26 HD2 LYS 8 2HD LYS 8 4.886 10.362 -1.436 27 HD3 LYS 8 1HD LYS 8 5.210 9.419 -2.892 28 HE2 LYS 8 2HE LYS 8 3.767 7.965 -0.795 29 HE3 LYS 8 1HE LYS 8 2.892 9.344 -1.459 30 HZ1 LYS 8 3HZ LYS 8 4.002 7.970 -3.604 31 HZ2 LYS 8 1HZ LYS 8 2.367 8.087 -3.186 32 HZ3 LYS 8 2HZ LYS 8 3.299 6.803 -2.602 33 H LYS 9 H LYS 9 9.596 8.400 0.922 34 HA LYS 9 HA LYS 9 9.713 5.618 -0.033 35 HB2 LYS 9 2HB LYS 9 11.922 6.478 0.448 36 HB3 LYS 9 1HB LYS 9 11.402 7.047 2.028 37 HG2 LYS 9 2HG LYS 9 10.970 4.188 1.603 38 HG3 LYS 9 1HG LYS 9 12.663 4.680 1.533 39 HD2 LYS 9 2HD LYS 9 11.104 5.843 3.742 40 HD3 LYS 9 1HD LYS 9 11.334 4.095 3.821 41 HE2 LYS 9 2HE LYS 9 13.277 4.635 4.817 42 HE3 LYS 9 1HE LYS 9 13.832 4.909 3.167 43 HZ1 LYS 9 3HZ LYS 9 12.512 7.139 4.504 44 HZ2 LYS 9 1HZ LYS 9 13.824 7.140 3.435 45 HZ3 LYS 9 2HZ LYS 9 14.056 6.726 5.058 46 H ILE 10 H ILE 10 8.696 4.052 1.108 47 HA ILE 10 HA ILE 10 7.578 4.746 3.726 48 HB ILE 10 HB ILE 10 5.735 3.155 2.103 49 HG12 ILE 10 2HG1 ILE 10 6.479 5.960 1.272 50 HG13 ILE 10 1HG1 ILE 10 6.352 4.525 0.263 51 HG21 ILE 10 1HG2 ILE 10 5.485 5.623 3.814 52 HG22 ILE 10 2HG2 ILE 10 5.128 3.960 4.279 53 HG23 ILE 10 3HG2 ILE 10 4.122 4.776 3.083 54 HD11 ILE 10 3HD1 ILE 10 4.056 5.965 1.568 55 HD12 ILE 10 1HD1 ILE 10 3.934 4.544 0.532 56 HD13 ILE 10 2HD1 ILE 10 4.519 6.070 -0.130 57 H ARG 11 H ARG 11 6.735 2.830 4.900 58 HA ARG 11 HA ARG 11 8.504 0.547 4.410 59 HB2 ARG 11 2HB ARG 11 8.643 1.564 6.623 60 HB3 ARG 11 1HB ARG 11 6.917 1.335 6.861 61 HG2 ARG 11 2HG ARG 11 7.562 -1.196 6.430 62 HG3 ARG 11 1HG ARG 11 9.131 -0.633 7.000 63 HD2 ARG 11 2HD ARG 11 7.919 -1.440 8.886 64 HD3 ARG 11 1HD ARG 11 7.971 0.318 8.995 65 HE ARG 11 HE ARG 11 5.629 -0.123 7.743 66 HH11 ARG 11 1HH1 ARG 11 7.023 -1.447 10.656 67 HH12 ARG 11 2HH1 ARG 11 5.491 -1.713 11.417 68 HH21 ARG 11 1HH2 ARG 11 3.614 -0.471 8.742 69 HH22 ARG 11 2HH2 ARG 11 3.555 -1.159 10.331 70 H ILE 12 H ILE 12 7.733 -1.599 4.510 71 HA ILE 12 HA ILE 12 4.829 -1.932 4.222 72 HB ILE 12 HB ILE 12 6.879 -3.282 2.461 73 HG12 ILE 12 2HG1 ILE 12 4.747 -1.459 1.427 74 HG13 ILE 12 1HG1 ILE 12 6.207 -0.753 2.110 75 HG21 ILE 12 1HG2 ILE 12 4.969 -4.235 1.306 76 HG22 ILE 12 2HG2 ILE 12 3.870 -3.408 2.409 77 HG23 ILE 12 3HG2 ILE 12 4.937 -4.675 3.014 78 HD11 ILE 12 3HD1 ILE 12 6.172 -2.766 -0.126 79 HD12 ILE 12 1HD1 ILE 12 7.573 -1.893 0.497 80 HD13 ILE 12 2HD1 ILE 12 6.290 -1.021 -0.342 81 H THR 13 H THR 13 4.013 -3.889 4.962 82 HA THR 13 HA THR 13 5.843 -5.902 5.956 83 HB THR 13 HB THR 13 3.848 -4.926 7.942 84 HG1 THR 13 1HG THR 13 5.374 -3.447 8.723 85 HG21 THR 13 3HG2 THR 13 6.373 -5.473 9.045 86 HG22 THR 13 1HG2 THR 13 6.007 -6.762 7.901 87 HG23 THR 13 2HG2 THR 13 4.879 -6.398 9.206 88 H THR 14 H THR 14 5.046 -7.779 5.298 89 HA THR 14 HA THR 14 2.201 -8.020 4.773 90 HB THR 14 HB THR 14 2.672 -9.778 3.389 91 HG1 THR 14 1HG THR 14 3.647 -11.376 4.298 92 HG21 THR 14 3HG2 THR 14 4.570 -9.358 2.083 93 HG22 THR 14 1HG2 THR 14 5.442 -8.648 3.441 94 HG23 THR 14 2HG2 THR 14 4.075 -7.793 2.729 95 H ASN 15 H ASN 15 0.832 -9.399 5.709 96 HA ASN 15 HA ASN 15 0.967 -9.926 8.398 97 HB2 ASN 15 2HB ASN 15 -0.877 -11.597 7.959 98 HB3 ASN 15 1HB ASN 15 -1.149 -9.987 7.301 99 HD21 ASN 15 1HD2 ASN 15 -2.585 -12.058 6.338 100 HD22 ASN 15 2HD2 ASN 15 -2.078 -12.450 4.733 101 H ASP 16 H ASP 16 2.281 -11.818 5.780 102 HA ASP 16 HA ASP 16 2.505 -14.287 7.089 103 HB2 ASP 16 2HB ASP 16 3.283 -13.242 4.616 104 HB3 ASP 16 1HB ASP 16 4.784 -13.767 5.372 105 H GLY 17 H GLY 17 4.158 -11.325 7.598 106 HA2 GLY 17 2HA GLY 17 5.321 -11.079 9.712 107 HA3 GLY 17 1HA GLY 17 5.953 -12.702 9.487 108 H ARG 18 H ARG 18 5.832 -10.363 6.871 109 HA ARG 18 HA ARG 18 8.745 -9.987 7.159 110 HB2 ARG 18 2HB ARG 18 9.175 -10.487 4.920 111 HB3 ARG 18 1HB ARG 18 8.010 -11.716 5.395 112 HG2 ARG 18 2HG ARG 18 6.227 -10.268 4.400 113 HG3 ARG 18 1HG ARG 18 7.511 -9.247 3.759 114 HD2 ARG 18 2HD ARG 18 6.654 -10.938 2.145 115 HD3 ARG 18 1HD ARG 18 8.384 -11.039 2.459 116 HE ARG 18 HE ARG 18 8.059 -13.054 3.570 117 HH11 ARG 18 1HH1 ARG 18 4.993 -11.669 2.629 118 HH12 ARG 18 2HH1 ARG 18 4.128 -13.157 2.808 119 HH21 ARG 18 1HH2 ARG 18 6.925 -15.006 3.800 120 HH22 ARG 18 2HH2 ARG 18 5.227 -15.055 3.464 121 H GLN 19 H GLN 19 9.606 -8.063 6.186 122 HA GLN 19 HA GLN 19 7.660 -6.058 5.339 123 HB2 GLN 19 2HB GLN 19 9.048 -4.428 6.890 124 HB3 GLN 19 1HB GLN 19 7.662 -5.313 7.503 125 HG2 GLN 19 2HG GLN 19 8.899 -6.409 8.981 126 HG3 GLN 19 1HG GLN 19 10.103 -6.840 7.769 127 HE21 GLN 19 1HE2 GLN 19 11.287 -4.659 7.016 128 HE22 GLN 19 2HE2 GLN 19 11.975 -3.779 8.333 129 H SER 20 H SER 20 8.583 -4.220 4.290 130 HA SER 20 HA SER 20 11.378 -4.084 3.723 131 HB2 SER 20 2HB SER 20 9.509 -5.086 1.565 132 HB3 SER 20 1HB SER 20 11.124 -4.455 1.248 133 HG SER 20 HG SER 20 11.700 -6.450 1.587 134 H MET 21 H MET 21 11.953 -2.135 2.794 135 HA MET 21 HA MET 21 9.865 -0.120 2.773 136 HB2 MET 21 2HB MET 21 11.577 1.493 2.912 137 HB3 MET 21 1HB MET 21 12.130 0.161 3.916 138 HG2 MET 21 2HG MET 21 12.995 0.313 1.065 139 HG3 MET 21 1HG MET 21 13.760 1.344 2.270 140 HE1 MET 21 3HE MET 21 14.545 -1.907 0.443 141 HE2 MET 21 1HE MET 21 12.894 -2.077 1.043 142 HE3 MET 21 2HE MET 21 14.168 -3.130 1.657 143 H VAL 22 H VAL 22 9.839 1.534 1.066 144 HA VAL 22 HA VAL 22 10.735 0.606 -1.550 145 HB VAL 22 HB VAL 22 8.404 1.171 -2.445 146 HG11 VAL 22 1HG1 VAL 22 7.568 -1.129 -1.929 147 HG12 VAL 22 2HG1 VAL 22 8.929 -1.305 -0.823 148 HG13 VAL 22 3HG1 VAL 22 9.219 -1.065 -2.546 149 HG21 VAL 22 3HG2 VAL 22 6.547 0.916 -0.951 150 HG22 VAL 22 1HG2 VAL 22 7.608 2.176 -0.323 151 HG23 VAL 22 2HG2 VAL 22 7.628 0.566 0.398 152 H THR 23 H THR 23 10.082 2.264 -3.264 153 HA THR 23 HA THR 23 10.438 4.969 -2.147 154 HB THR 23 HB THR 23 12.375 4.046 -3.442 155 HG1 THR 23 1HG THR 23 11.950 6.312 -3.337 156 HG21 THR 23 3HG2 THR 23 10.870 4.500 -5.957 157 HG22 THR 23 1HG2 THR 23 10.715 2.943 -5.143 158 HG23 THR 23 2HG2 THR 23 12.303 3.517 -5.652 159 H LEU 24 H LEU 24 7.913 4.128 -2.272 160 HA LEU 24 HA LEU 24 6.351 4.202 -4.464 161 HB2 LEU 24 2HB LEU 24 5.914 4.434 -1.768 162 HB3 LEU 24 1HB LEU 24 5.311 5.968 -2.367 163 HG LEU 24 HG LEU 24 3.749 4.840 -3.830 164 HD11 LEU 24 1HD1 LEU 24 4.837 2.907 -4.552 165 HD12 LEU 24 2HD1 LEU 24 3.532 2.306 -3.529 166 HD13 LEU 24 3HD1 LEU 24 5.181 2.375 -2.906 167 HD21 LEU 24 3HD2 LEU 24 3.224 5.227 -1.389 168 HD22 LEU 24 1HD2 LEU 24 3.570 3.516 -1.137 169 HD23 LEU 24 2HD2 LEU 24 2.253 4.002 -2.205 170 H LYS 25 H LYS 25 5.862 5.551 -6.063 171 HA LYS 25 HA LYS 25 7.200 8.022 -6.371 172 HB2 LYS 25 2HB LYS 25 5.615 6.282 -7.976 173 HB3 LYS 25 1HB LYS 25 4.953 7.904 -8.120 174 HG2 LYS 25 2HG LYS 25 7.686 8.279 -8.337 175 HG3 LYS 25 1HG LYS 25 7.384 6.783 -9.223 176 HD2 LYS 25 2HD LYS 25 7.222 8.753 -10.678 177 HD3 LYS 25 1HD LYS 25 5.682 7.899 -10.561 178 HE2 LYS 25 2HE LYS 25 4.679 9.581 -9.396 179 HE3 LYS 25 1HE LYS 25 6.183 10.094 -8.630 180 HZ1 LYS 25 3HZ LYS 25 5.107 10.802 -11.271 181 HZ2 LYS 25 1HZ LYS 25 6.784 10.809 -11.039 182 HZ3 LYS 25 2HZ LYS 25 5.794 11.799 -10.090 183 H SER 26 H SER 26 6.402 10.138 -6.372 184 HA SER 26 HA SER 26 4.718 10.867 -4.300 185 HB2 SER 26 2HB SER 26 6.352 12.231 -5.976 186 HB3 SER 26 1HB SER 26 4.778 12.724 -6.603 187 HG SER 26 HG SER 26 5.930 13.827 -4.640 188 H SER 27 H SER 27 3.959 10.348 -7.708 189 HA SER 27 HA SER 27 1.124 10.854 -7.147 190 HB2 SER 27 2HB SER 27 1.983 12.077 -9.055 191 HB3 SER 27 1HB SER 27 2.617 10.594 -9.768 192 HG SER 27 HG SER 27 -0.131 10.961 -9.198 193 H THR 28 H THR 28 2.301 8.499 -6.125 194 HA THR 28 HA THR 28 1.558 6.326 -7.892 195 HB THR 28 HB THR 28 2.737 6.457 -5.122 196 HG1 THR 28 1HG THR 28 3.713 5.295 -7.511 197 HG21 THR 28 3HG2 THR 28 2.982 3.834 -5.957 198 HG22 THR 28 1HG2 THR 28 1.292 4.233 -6.262 199 HG23 THR 28 2HG2 THR 28 1.969 4.436 -4.647 200 H THR 29 H THR 29 -0.590 6.096 -8.145 201 HA THR 29 HA THR 29 -2.439 6.537 -5.985 202 HB THR 29 HB THR 29 -3.145 7.080 -8.231 203 HG1 THR 29 1HG THR 29 -4.575 4.738 -7.583 204 HG21 THR 29 3HG2 THR 29 -2.672 4.186 -8.882 205 HG22 THR 29 1HG2 THR 29 -1.864 5.588 -9.582 206 HG23 THR 29 2HG2 THR 29 -3.576 5.306 -9.900 207 H PHE 30 H PHE 30 -4.163 4.746 -5.627 208 HA PHE 30 HA PHE 30 -3.101 2.678 -4.196 209 HB2 PHE 30 2HB PHE 30 -5.500 3.364 -4.201 210 HB3 PHE 30 1HB PHE 30 -5.700 2.521 -5.734 211 HD1 PHE 30 1HD PHE 30 -4.261 1.793 -2.365 212 HD2 PHE 30 2HD PHE 30 -6.673 0.460 -5.606 213 HE1 PHE 30 1HE PHE 30 -4.730 -0.296 -1.152 214 HE2 PHE 30 2HE PHE 30 -7.148 -1.630 -4.399 215 HZ PHE 30 HZ PHE 30 -6.176 -2.010 -2.168 216 H PHE 31 H PHE 31 -3.591 2.819 -7.648 217 HA PHE 31 HA PHE 31 -3.183 0.023 -8.108 218 HB2 PHE 31 2HB PHE 31 -2.897 2.313 -10.061 219 HB3 PHE 31 1HB PHE 31 -3.105 0.613 -10.462 220 HD1 PHE 31 1HD PHE 31 -5.273 -0.502 -9.509 221 HD2 PHE 31 2HD PHE 31 -4.743 3.688 -10.032 222 HE1 PHE 31 1HE PHE 31 -7.715 -0.201 -9.540 223 HE2 PHE 31 2HE PHE 31 -7.183 3.997 -10.064 224 HZ PHE 31 HZ PHE 31 -8.673 2.052 -9.816 225 H GLU 32 H GLU 32 -1.174 2.930 -8.509 226 HA GLU 32 HA GLU 32 1.141 1.630 -9.407 227 HB2 GLU 32 2HB GLU 32 0.577 4.266 -8.114 228 HB3 GLU 32 1HB GLU 32 2.248 3.739 -8.267 229 HG2 GLU 32 2HG GLU 32 1.658 3.350 -10.747 230 HG3 GLU 32 1HG GLU 32 0.272 4.386 -10.413 231 H LEU 33 H LEU 33 -0.130 2.184 -6.192 232 HA LEU 33 HA LEU 33 2.216 1.462 -4.767 233 HB2 LEU 33 2HB LEU 33 0.563 2.731 -3.620 234 HB3 LEU 33 1HB LEU 33 -0.696 1.575 -4.009 235 HG LEU 33 HG LEU 33 0.221 -0.039 -2.471 236 HD11 LEU 33 1HD1 LEU 33 2.368 1.934 -1.745 237 HD12 LEU 33 2HD1 LEU 33 2.616 0.639 -2.916 238 HD13 LEU 33 3HD1 LEU 33 2.213 0.251 -1.243 239 HD21 LEU 33 3HD2 LEU 33 -0.126 1.119 -0.382 240 HD22 LEU 33 1HD2 LEU 33 -1.266 1.721 -1.585 241 HD23 LEU 33 2HD2 LEU 33 0.155 2.676 -1.161 242 H GLN 34 H GLN 34 -0.691 -0.319 -5.743 243 HA GLN 34 HA GLN 34 -0.082 -2.760 -4.525 244 HB2 GLN 34 2HB GLN 34 -1.635 -2.161 -7.045 245 HB3 GLN 34 1HB GLN 34 -1.569 -3.751 -6.296 246 HG2 GLN 34 2HG GLN 34 -2.328 -1.583 -4.480 247 HG3 GLN 34 1HG GLN 34 -3.459 -1.868 -5.801 248 HE21 GLN 34 1HE2 GLN 34 -1.415 -4.182 -4.095 249 HE22 GLN 34 2HE2 GLN 34 -2.709 -5.138 -3.468 250 H GLU 35 H GLU 35 1.163 -1.280 -7.409 251 HA GLU 35 HA GLU 35 2.357 -3.717 -8.407 252 HB2 GLU 35 2HB GLU 35 1.548 -1.969 -9.949 253 HB3 GLU 35 1HB GLU 35 2.740 -0.853 -9.297 254 HG2 GLU 35 2HG GLU 35 4.313 -1.633 -10.643 255 HG3 GLU 35 1HG GLU 35 3.998 -3.295 -10.150 256 H SER 36 H SER 36 3.237 -1.107 -6.320 257 HA SER 36 HA SER 36 6.062 -1.341 -6.574 258 HB2 SER 36 2HB SER 36 6.041 0.486 -5.264 259 HB3 SER 36 1HB SER 36 4.283 0.385 -5.266 260 HG SER 36 HG SER 36 5.855 0.163 -3.202 261 H ILE 37 H ILE 37 3.819 -2.353 -4.006 262 HA ILE 37 HA ILE 37 5.616 -3.786 -2.463 263 HB ILE 37 HB ILE 37 2.712 -4.501 -2.879 264 HG12 ILE 37 2HG1 ILE 37 3.336 -2.930 -0.511 265 HG13 ILE 37 1HG1 ILE 37 3.740 -2.067 -1.992 266 HG21 ILE 37 1HG2 ILE 37 4.583 -5.884 -1.484 267 HG22 ILE 37 2HG2 ILE 37 2.857 -5.885 -1.120 268 HG23 ILE 37 3HG2 ILE 37 3.944 -4.813 -0.238 269 HD11 ILE 37 3HD1 ILE 37 1.061 -3.300 -1.398 270 HD12 ILE 37 1HD1 ILE 37 1.485 -2.313 -2.795 271 HD13 ILE 37 2HD1 ILE 37 1.468 -1.597 -1.184 272 H ALA 38 H ALA 38 3.813 -4.776 -5.321 273 HA ALA 38 HA ALA 38 4.308 -7.525 -5.219 274 HB1 ALA 38 1HB ALA 38 2.977 -5.852 -6.923 275 HB2 ALA 38 2HB ALA 38 3.241 -7.575 -7.187 276 HB3 ALA 38 3HB ALA 38 4.330 -6.395 -7.915 277 H ARG 39 H ARG 39 6.448 -4.918 -5.804 278 HA ARG 39 HA ARG 39 8.400 -6.568 -7.201 279 HB2 ARG 39 2HB ARG 39 8.964 -3.792 -6.228 280 HB3 ARG 39 1HB ARG 39 9.574 -4.612 -7.658 281 HG2 ARG 39 2HG ARG 39 7.041 -4.515 -8.379 282 HG3 ARG 39 1HG ARG 39 7.016 -3.163 -7.246 283 HD2 ARG 39 2HD ARG 39 9.085 -2.322 -8.487 284 HD3 ARG 39 1HD ARG 39 8.658 -3.490 -9.736 285 HE ARG 39 HE ARG 39 6.503 -1.738 -8.984 286 HH11 ARG 39 1HH1 ARG 39 9.272 -2.152 -11.068 287 HH12 ARG 39 2HH1 ARG 39 8.698 -1.037 -12.261 288 HH21 ARG 39 1HH2 ARG 39 5.748 -0.268 -10.553 289 HH22 ARG 39 2HH2 ARG 39 6.698 0.032 -11.970 290 H GLU 40 H GLU 40 8.182 -4.679 -4.207 291 HA GLU 40 HA GLU 40 10.647 -5.513 -3.142 292 HB2 GLU 40 2HB GLU 40 8.458 -3.861 -2.338 293 HB3 GLU 40 1HB GLU 40 8.879 -4.928 -1.005 294 HG2 GLU 40 2HG GLU 40 10.090 -2.853 -0.832 295 HG3 GLU 40 1HG GLU 40 11.204 -4.179 -1.150 296 H PHE 41 H PHE 41 7.471 -6.969 -3.096 297 HA PHE 41 HA PHE 41 8.555 -9.146 -1.433 298 HB2 PHE 41 2HB PHE 41 5.668 -8.280 -1.668 299 HB3 PHE 41 1HB PHE 41 6.288 -9.564 -0.636 300 HD1 PHE 41 1HD PHE 41 6.846 -5.935 -1.299 301 HD2 PHE 41 2HD PHE 41 6.693 -9.073 1.568 302 HE1 PHE 41 1HE PHE 41 7.234 -4.304 0.502 303 HE2 PHE 41 2HE PHE 41 7.076 -7.446 3.374 304 HZ PHE 41 HZ PHE 41 7.350 -5.063 2.843 305 H ASN 42 H ASN 42 6.949 -11.172 -1.786 306 HA ASN 42 HA ASN 42 7.084 -11.697 -4.675 307 HB2 ASN 42 2HB ASN 42 7.362 -13.451 -2.256 308 HB3 ASN 42 1HB ASN 42 6.916 -14.151 -3.809 309 HD21 ASN 42 1HD2 ASN 42 9.237 -11.748 -2.599 310 HD22 ASN 42 2HD2 ASN 42 10.595 -12.378 -3.462 311 H ILE 43 H ILE 43 4.848 -10.292 -3.721 312 HA ILE 43 HA ILE 43 2.745 -12.289 -4.196 313 HB ILE 43 HB ILE 43 2.420 -9.915 -2.361 314 HG12 ILE 43 2HG1 ILE 43 2.125 -12.158 -0.807 315 HG13 ILE 43 1HG1 ILE 43 3.445 -12.624 -1.876 316 HG21 ILE 43 1HG2 ILE 43 0.621 -12.306 -2.656 317 HG22 ILE 43 2HG2 ILE 43 0.417 -10.835 -3.607 318 HG23 ILE 43 3HG2 ILE 43 0.283 -10.775 -1.850 319 HD11 ILE 43 3HD1 ILE 43 4.857 -11.441 -0.667 320 HD12 ILE 43 1HD1 ILE 43 3.542 -11.017 0.429 321 HD13 ILE 43 2HD1 ILE 43 3.910 -9.979 -0.949 322 HA PRO 44 HA PRO 44 1.725 -9.563 -7.533 323 HB2 PRO 44 2HB PRO 44 -0.811 -10.470 -8.010 324 HB3 PRO 44 1HB PRO 44 0.648 -11.297 -8.558 325 HG2 PRO 44 2HG PRO 44 -1.097 -11.883 -6.212 326 HG3 PRO 44 1HG PRO 44 -0.279 -13.006 -7.311 327 HD2 PRO 44 2HD PRO 44 0.648 -12.423 -4.821 328 HD3 PRO 44 1HD PRO 44 1.712 -12.871 -6.163 329 HA PRO 45 HA PRO 45 -0.762 -6.261 -6.004 330 HB2 PRO 45 2HB PRO 45 -2.271 -5.914 -8.467 331 HB3 PRO 45 1HB PRO 45 -0.973 -4.917 -7.811 332 HG2 PRO 45 2HG PRO 45 -0.690 -6.435 -10.048 333 HG3 PRO 45 1HG PRO 45 0.651 -6.043 -8.961 334 HD2 PRO 45 2HD PRO 45 -0.947 -8.563 -9.161 335 HD3 PRO 45 1HD PRO 45 0.801 -8.351 -8.913 336 H TYR 46 H TYR 46 -2.524 -8.805 -7.644 337 HA TYR 46 HA TYR 46 -5.065 -7.996 -6.520 338 HB2 TYR 46 2HB TYR 46 -5.983 -9.937 -7.678 339 HB3 TYR 46 1HB TYR 46 -4.971 -8.992 -8.765 340 HD1 TYR 46 1HD TYR 46 -2.746 -9.844 -9.435 341 HD2 TYR 46 2HD TYR 46 -5.419 -12.185 -7.096 342 HE1 TYR 46 1HE TYR 46 -1.451 -11.860 -9.984 343 HE2 TYR 46 2HE TYR 46 -4.130 -14.208 -7.637 344 HH TYR 46 HH TYR 46 -1.130 -14.242 -8.721 345 H LEU 47 H LEU 47 -2.458 -9.437 -5.176 346 HA LEU 47 HA LEU 47 -4.132 -11.021 -3.341 347 HB2 LEU 47 2HB LEU 47 -1.338 -11.595 -4.309 348 HB3 LEU 47 1HB LEU 47 -2.063 -12.400 -2.932 349 HG LEU 47 HG LEU 47 -3.080 -12.515 -5.771 350 HD11 LEU 47 1HD1 LEU 47 -2.059 -14.850 -4.224 351 HD12 LEU 47 2HD1 LEU 47 -0.915 -13.764 -5.013 352 HD13 LEU 47 3HD1 LEU 47 -2.138 -14.600 -5.969 353 HD21 LEU 47 3HD2 LEU 47 -4.270 -13.229 -3.195 354 HD22 LEU 47 1HD2 LEU 47 -4.288 -14.531 -4.385 355 HD23 LEU 47 2HD2 LEU 47 -5.029 -12.977 -4.768 356 H GLN 48 H GLN 48 -2.298 -8.280 -3.615 357 HA GLN 48 HA GLN 48 -1.304 -8.432 -0.860 358 HB2 GLN 48 2HB GLN 48 -0.628 -6.583 -3.144 359 HB3 GLN 48 1HB GLN 48 -0.070 -6.314 -1.498 360 HG2 GLN 48 2HG GLN 48 1.222 -8.295 -1.515 361 HG3 GLN 48 1HG GLN 48 0.473 -8.849 -3.011 362 HE21 GLN 48 1HE2 GLN 48 0.606 -6.750 -4.650 363 HE22 GLN 48 2HE2 GLN 48 2.242 -6.280 -4.933 364 H CYS 49 H CYS 49 -2.674 -7.705 0.608 365 HA CYS 49 HA CYS 49 -4.445 -5.461 -0.070 366 HB2 CYS 49 2HB CYS 49 -5.624 -7.420 0.746 367 HB3 CYS 49 1HB CYS 49 -4.589 -7.497 2.166 368 HG CYS 49 HG CYS 49 -5.762 -5.354 3.066 369 H ILE 50 H ILE 50 -3.471 -3.592 0.381 370 HA ILE 50 HA ILE 50 -1.518 -3.314 2.455 371 HB ILE 50 HB ILE 50 -2.875 -1.141 0.857 372 HG12 ILE 50 2HG1 ILE 50 -0.143 -1.928 0.126 373 HG13 ILE 50 1HG1 ILE 50 -1.341 -3.187 -0.158 374 HG21 ILE 50 1HG2 ILE 50 -1.764 -0.276 2.816 375 HG22 ILE 50 2HG2 ILE 50 -0.832 0.144 1.380 376 HG23 ILE 50 3HG2 ILE 50 -0.299 -1.175 2.422 377 HD11 ILE 50 3HD1 ILE 50 -0.882 -1.662 -2.090 378 HD12 ILE 50 1HD1 ILE 50 -1.649 -0.374 -1.161 379 HD13 ILE 50 2HD1 ILE 50 -2.577 -1.802 -1.622 380 H ARG 51 H ARG 51 -1.624 -1.953 4.274 381 HA ARG 51 HA ARG 51 -4.246 -1.034 5.146 382 HB2 ARG 51 2HB ARG 51 -2.530 -2.940 6.748 383 HB3 ARG 51 1HB ARG 51 -3.950 -2.106 7.368 384 HG2 ARG 51 2HG ARG 51 -4.902 -3.327 5.099 385 HG3 ARG 51 1HG ARG 51 -3.754 -4.506 5.738 386 HD2 ARG 51 2HD ARG 51 -4.906 -4.109 7.994 387 HD3 ARG 51 1HD ARG 51 -6.185 -3.345 7.055 388 HE ARG 51 HE ARG 51 -6.841 -5.414 6.300 389 HH11 ARG 51 1HH1 ARG 51 -3.738 -5.688 7.879 390 HH12 ARG 51 2HH1 ARG 51 -3.760 -7.420 7.893 391 HH21 ARG 51 1HH2 ARG 51 -6.869 -7.691 6.321 392 HH22 ARG 51 2HH2 ARG 51 -5.536 -8.556 7.010 393 H TYR 52 H TYR 52 -4.176 0.721 6.506 394 HA TYR 52 HA TYR 52 -1.595 1.574 7.570 395 HB2 TYR 52 2HB TYR 52 -1.758 3.797 6.614 396 HB3 TYR 52 1HB TYR 52 -1.796 2.603 5.320 397 HD1 TYR 52 1HD TYR 52 -4.124 1.937 4.421 398 HD2 TYR 52 2HD TYR 52 -3.415 5.428 6.747 399 HE1 TYR 52 1HE TYR 52 -6.212 2.920 3.572 400 HE2 TYR 52 2HE TYR 52 -5.502 6.420 5.905 401 HH TYR 52 HH TYR 52 -7.839 4.614 4.199 402 H GLY 53 H GLY 53 -1.834 3.495 9.026 403 HA2 GLY 53 2HA GLY 53 -2.856 4.595 10.768 404 HA3 GLY 53 1HA GLY 53 -4.395 4.260 9.990 405 H PHE 54 H PHE 54 -4.555 4.191 12.584 406 HA PHE 54 HA PHE 54 -4.633 1.329 13.238 407 HB2 PHE 54 2HB PHE 54 -3.087 3.366 14.553 408 HB3 PHE 54 1HB PHE 54 -4.289 2.726 15.668 409 HD1 PHE 54 2HD PHE 54 -4.478 0.066 15.601 410 HD2 PHE 54 1HD PHE 54 -1.051 2.324 14.477 411 HE1 PHE 54 2HE PHE 54 -3.054 -1.900 16.008 412 HE2 PHE 54 1HE PHE 54 0.379 0.363 14.881 413 HZ PHE 54 HZ PHE 54 -0.622 -1.752 15.650 414 HA PRO 55 HA PRO 55 -5.850 -0.167 14.007 415 HB2 PRO 55 2HB PRO 55 -8.491 -0.790 12.891 416 HB3 PRO 55 1HB PRO 55 -7.660 -1.514 14.270 417 HG2 PRO 55 2HG PRO 55 -9.821 0.065 14.572 418 HG3 PRO 55 1HG PRO 55 -8.504 0.026 15.760 419 HD2 PRO 55 2HD PRO 55 -9.056 2.039 13.606 420 HD3 PRO 55 1HD PRO 55 -8.543 2.300 15.287 421 HA PRO 56 HA PRO 56 -4.582 0.218 9.779 422 HB2 PRO 56 2HB PRO 56 -4.793 -2.758 9.802 423 HB3 PRO 56 1HB PRO 56 -3.453 -1.728 9.282 424 HG2 PRO 56 2HG PRO 56 -3.358 -3.003 11.616 425 HG3 PRO 56 1HG PRO 56 -2.724 -1.354 11.450 426 HD2 PRO 56 2HD PRO 56 -5.248 -2.295 12.722 427 HD3 PRO 56 1HD PRO 56 -4.197 -0.938 13.166 428 H LYS 57 H LYS 57 -5.837 0.745 8.150 429 HA LYS 57 HA LYS 57 -8.455 -0.479 7.832 430 HB2 LYS 57 2HB LYS 57 -7.142 1.825 6.381 431 HB3 LYS 57 1HB LYS 57 -8.791 1.280 6.108 432 HG2 LYS 57 2HG LYS 57 -9.373 1.837 8.403 433 HG3 LYS 57 1HG LYS 57 -7.712 2.348 8.709 434 HD2 LYS 57 2HD LYS 57 -8.083 4.358 7.817 435 HD3 LYS 57 1HD LYS 57 -8.802 3.653 6.368 436 HE2 LYS 57 2HE LYS 57 -10.688 4.627 7.100 437 HE3 LYS 57 1HE LYS 57 -10.774 3.243 8.187 438 HZ1 LYS 57 3HZ LYS 57 -9.768 5.963 8.785 439 HZ2 LYS 57 1HZ LYS 57 -9.465 4.642 9.797 440 HZ3 LYS 57 2HZ LYS 57 -11.055 5.144 9.516 441 H GLU 58 H GLU 58 -9.110 -0.714 5.374 442 HA GLU 58 HA GLU 58 -7.210 -2.630 4.262 443 HB2 GLU 58 2HB GLU 58 -9.530 -3.353 4.591 444 HB3 GLU 58 1HB GLU 58 -10.086 -2.071 3.522 445 HG2 GLU 58 2HG GLU 58 -9.560 -3.213 1.668 446 HG3 GLU 58 1HG GLU 58 -8.066 -3.846 2.357 447 H LEU 59 H LEU 59 -7.784 0.593 3.889 448 HA LEU 59 HA LEU 59 -7.459 2.130 2.238 449 HB2 LEU 59 2HB LEU 59 -5.184 1.164 2.566 450 HB3 LEU 59 1HB LEU 59 -5.497 0.065 1.239 451 HG LEU 59 HG LEU 59 -5.171 1.666 -0.354 452 HD11 LEU 59 1HD1 LEU 59 -6.982 3.115 0.148 453 HD12 LEU 59 2HD1 LEU 59 -5.534 4.118 0.066 454 HD13 LEU 59 3HD1 LEU 59 -6.211 3.673 1.633 455 HD21 LEU 59 3HD2 LEU 59 -3.662 2.654 2.048 456 HD22 LEU 59 1HD2 LEU 59 -3.432 3.320 0.431 457 HD23 LEU 59 2HD2 LEU 59 -3.085 1.619 0.742 458 H MET 60 H MET 60 -9.401 2.154 1.163 459 HA MET 60 HA MET 60 -10.102 0.212 -0.807 460 HB2 MET 60 2HB MET 60 -11.269 2.932 -0.203 461 HB3 MET 60 1HB MET 60 -11.979 1.761 -1.307 462 HG2 MET 60 2HG MET 60 -12.065 0.158 0.625 463 HG3 MET 60 1HG MET 60 -11.623 1.513 1.662 464 HE1 MET 60 3HE MET 60 -14.259 -0.230 -0.460 465 HE2 MET 60 1HE MET 60 -15.721 0.345 0.342 466 HE3 MET 60 2HE MET 60 -14.493 -0.524 1.263 467 HA PRO 61 HA PRO 61 -8.151 1.967 -4.357 468 HB2 PRO 61 2HB PRO 61 -9.654 0.922 -6.318 469 HB3 PRO 61 1HB PRO 61 -8.621 -0.094 -5.303 470 HG2 PRO 61 2HG PRO 61 -11.573 0.383 -5.124 471 HG3 PRO 61 1HG PRO 61 -10.675 -1.139 -4.972 472 HD2 PRO 61 2HD PRO 61 -11.574 0.315 -2.836 473 HD3 PRO 61 1HD PRO 61 -10.159 -0.755 -2.775 474 HA PRO 62 HA PRO 62 -10.292 5.692 -5.405 475 HB2 PRO 62 2HB PRO 62 -8.991 6.311 -7.714 476 HB3 PRO 62 1HB PRO 62 -8.284 6.543 -6.114 477 HG2 PRO 62 2HG PRO 62 -7.865 4.322 -8.073 478 HG3 PRO 62 1HG PRO 62 -6.675 5.167 -7.066 479 HD2 PRO 62 2HD PRO 62 -7.649 2.732 -6.420 480 HD3 PRO 62 1HD PRO 62 -7.197 3.931 -5.191 481 H GLN 63 H GLN 63 -11.065 6.732 -7.683 482 HA GLN 63 HA GLN 63 -12.344 4.690 -9.331 483 HB2 GLN 63 2HB GLN 63 -14.553 5.664 -9.090 484 HB3 GLN 63 1HB GLN 63 -13.940 5.196 -7.511 485 HG2 GLN 63 2HG GLN 63 -13.158 7.665 -7.369 486 HG3 GLN 63 1HG GLN 63 -14.339 7.923 -8.652 487 HE21 GLN 63 1HE2 GLN 63 -16.338 8.347 -8.049 488 HE22 GLN 63 2HE2 GLN 63 -17.024 8.014 -6.498 489 H ALA 64 H ALA 64 -13.954 6.214 -10.881 490 HA ALA 64 HA ALA 64 -12.220 7.392 -12.708 491 HB1 ALA 64 1HB ALA 64 -14.149 8.113 -13.898 492 HB2 ALA 64 2HB ALA 64 -15.141 8.072 -12.441 493 HB3 ALA 64 3HB ALA 64 -14.551 6.568 -13.149 494 H GLY 65 H GLY 65 -10.875 8.965 -11.960 495 HA2 GLY 65 2HA GLY 65 -10.844 11.454 -12.062 496 HA3 GLY 65 1HA GLY 65 -12.166 11.408 -10.906 497 H MET 66 H MET 66 -10.961 9.185 -9.406 498 HA MET 66 HA MET 66 -8.994 10.775 -7.924 499 HB2 MET 66 2HB MET 66 -10.943 8.645 -7.179 500 HB3 MET 66 1HB MET 66 -9.476 8.796 -6.223 501 HG2 MET 66 2HG MET 66 -10.172 11.333 -6.176 502 HG3 MET 66 1HG MET 66 -11.770 10.661 -6.492 503 HE1 MET 66 3HE MET 66 -11.798 7.860 -3.975 504 HE2 MET 66 1HE MET 66 -12.484 8.588 -5.427 505 HE3 MET 66 2HE MET 66 -13.077 9.068 -3.837 506 H GLU 67 H GLU 67 -9.279 7.990 -9.904 507 HA GLU 67 HA GLU 67 -7.264 6.334 -8.968 508 HB2 GLU 67 2HB GLU 67 -7.056 5.553 -11.317 509 HB3 GLU 67 1HB GLU 67 -8.721 5.629 -10.754 510 HG2 GLU 67 2HG GLU 67 -9.196 7.514 -12.044 511 HG3 GLU 67 1HG GLU 67 -7.490 7.882 -12.295 512 H LYS 68 H LYS 68 -7.041 9.380 -10.626 513 HA LYS 68 HA LYS 68 -4.275 9.094 -11.346 514 HB2 LYS 68 2HB LYS 68 -5.864 11.653 -11.183 515 HB3 LYS 68 1HB LYS 68 -4.413 11.353 -12.129 516 HG2 LYS 68 2HG LYS 68 -5.552 10.050 -13.689 517 HG3 LYS 68 1HG LYS 68 -6.926 9.797 -12.611 518 HD2 LYS 68 2HD LYS 68 -6.275 12.587 -13.405 519 HD3 LYS 68 1HD LYS 68 -7.010 11.534 -14.616 520 HE2 LYS 68 2HE LYS 68 -8.556 11.037 -12.421 521 HE3 LYS 68 1HE LYS 68 -8.170 12.744 -12.213 522 HZ1 LYS 68 3HZ LYS 68 -8.820 12.692 -14.792 523 HZ2 LYS 68 1HZ LYS 68 -9.936 12.999 -13.557 524 HZ3 LYS 68 2HZ LYS 68 -9.814 11.448 -14.222 525 H GLU 69 H GLU 69 -5.963 9.960 -8.501 526 HA GLU 69 HA GLU 69 -3.910 11.635 -7.390 527 HB2 GLU 69 2HB GLU 69 -6.546 10.624 -6.552 528 HB3 GLU 69 1HB GLU 69 -5.392 10.834 -5.241 529 HG2 GLU 69 2HG GLU 69 -5.038 13.171 -6.451 530 HG3 GLU 69 1HG GLU 69 -6.690 12.850 -6.975 531 HA PRO 70 HA PRO 70 -1.289 8.446 -5.822 532 HB2 PRO 70 2HB PRO 70 -0.063 9.764 -3.804 533 HB3 PRO 70 1HB PRO 70 0.272 10.109 -5.505 534 HG2 PRO 70 2HG PRO 70 -1.500 11.574 -3.588 535 HG3 PRO 70 1HG PRO 70 -0.355 12.226 -4.774 536 HD2 PRO 70 2HD PRO 70 -3.032 12.106 -5.219 537 HD3 PRO 70 1HD PRO 70 -1.832 11.983 -6.521 538 H VAL 71 H VAL 71 -0.643 7.404 -3.698 539 HA VAL 71 HA VAL 71 -2.989 6.542 -2.347 540 HB VAL 71 HB VAL 71 -1.285 5.365 -0.823 541 HG11 VAL 71 1HG1 VAL 71 -2.378 4.717 -3.258 542 HG12 VAL 71 2HG1 VAL 71 -1.523 3.610 -2.183 543 HG13 VAL 71 3HG1 VAL 71 -0.659 4.402 -3.501 544 HG21 VAL 71 3HG2 VAL 71 0.664 6.053 -2.996 545 HG22 VAL 71 1HG2 VAL 71 0.971 5.316 -1.423 546 HG23 VAL 71 2HG2 VAL 71 0.539 7.022 -1.527 547 HA PRO 72 HA PRO 72 -3.196 9.211 1.168 548 HB2 PRO 72 2HB PRO 72 -3.777 7.525 3.202 549 HB3 PRO 72 1HB PRO 72 -4.935 7.904 1.924 550 HG2 PRO 72 2HG PRO 72 -3.127 5.527 2.186 551 HG3 PRO 72 1HG PRO 72 -4.853 5.571 1.778 552 HD2 PRO 72 2HD PRO 72 -2.963 5.315 -0.113 553 HD3 PRO 72 1HD PRO 72 -4.448 6.242 -0.403 554 H LEU 73 H LEU 73 -0.702 6.986 0.887 555 HA LEU 73 HA LEU 73 0.525 7.699 3.442 556 HB2 LEU 73 2HB LEU 73 1.850 5.845 1.537 557 HB3 LEU 73 1HB LEU 73 1.775 5.788 3.289 558 HG LEU 73 HG LEU 73 -0.638 5.202 1.589 559 HD11 LEU 73 1HD1 LEU 73 1.162 3.700 0.896 560 HD12 LEU 73 2HD1 LEU 73 -0.126 2.848 1.747 561 HD13 LEU 73 3HD1 LEU 73 1.389 3.210 2.574 562 HD21 LEU 73 3HD2 LEU 73 0.080 5.038 4.447 563 HD22 LEU 73 1HD2 LEU 73 -0.884 3.712 3.799 564 HD23 LEU 73 2HD2 LEU 73 -1.472 5.371 3.680 565 H GLN 74 H GLN 74 2.569 8.641 3.584 566 HA GLN 74 HA GLN 74 3.656 9.755 1.088 567 HB2 GLN 74 2HB GLN 74 3.155 11.214 3.682 568 HB3 GLN 74 1HB GLN 74 4.176 11.846 2.396 569 HG2 GLN 74 2HG GLN 74 2.271 12.861 1.777 570 HG3 GLN 74 1HG GLN 74 1.968 11.317 0.982 571 HE21 GLN 74 1HE2 GLN 74 0.014 10.563 1.296 572 HE22 GLN 74 2HE2 GLN 74 -0.963 10.799 2.702 573 H HIS 75 H HIS 75 5.849 10.939 1.742 574 HA HIS 75 HA HIS 75 7.706 8.954 2.286 575 HB2 HIS 75 2HB HIS 75 8.015 11.285 1.204 576 HB3 HIS 75 1HB HIS 75 8.275 11.853 2.849 577 HD1 HIS 75 1HD HIS 75 9.869 9.168 3.671 578 HD2 HIS 75 2HD HIS 75 10.677 11.702 0.479 579 HE1 HIS 75 1HE HIS 75 12.299 8.813 3.129 580 HE2 HIS 75 2HE HIS 75 12.742 10.293 1.138 581 H GLY 76 H GLY 76 7.834 7.833 4.125 582 HA2 GLY 76 2HA GLY 76 8.795 7.836 6.353 583 HA3 GLY 76 1HA GLY 76 7.979 9.363 6.644 584 H ASP 77 H ASP 77 5.926 7.301 4.973 585 HA ASP 77 HA ASP 77 4.401 6.816 7.400 586 HB2 ASP 77 2HB ASP 77 3.818 7.021 4.534 587 HB3 ASP 77 1HB ASP 77 2.943 5.720 5.336 588 H ARG 78 H ARG 78 3.094 4.592 7.183 589 HA ARG 78 HA ARG 78 4.881 2.406 6.446 590 HB2 ARG 78 2HB ARG 78 4.517 1.305 8.651 591 HB3 ARG 78 1HB ARG 78 5.477 2.774 8.753 592 HG2 ARG 78 2HG ARG 78 2.681 3.367 9.093 593 HG3 ARG 78 1HG ARG 78 3.204 2.125 10.231 594 HD2 ARG 78 2HD ARG 78 5.149 4.255 10.024 595 HD3 ARG 78 1HD ARG 78 3.559 4.877 10.466 596 HE ARG 78 HE ARG 78 5.308 3.308 12.095 597 HH11 ARG 78 1HH1 ARG 78 1.960 4.080 11.480 598 HH12 ARG 78 2HH1 ARG 78 1.445 3.683 13.085 599 HH21 ARG 78 1HH2 ARG 78 4.630 2.785 14.206 600 HH22 ARG 78 2HH2 ARG 78 2.960 2.948 14.632 601 H ILE 79 H ILE 79 3.830 0.433 6.089 602 HA ILE 79 HA ILE 79 0.926 0.396 6.379 603 HB ILE 79 HB ILE 79 0.928 -0.579 3.940 604 HG12 ILE 79 2HG1 ILE 79 3.271 1.334 3.881 605 HG13 ILE 79 1HG1 ILE 79 3.353 -0.403 3.606 606 HG21 ILE 79 1HG2 ILE 79 0.144 1.514 3.148 607 HG22 ILE 79 2HG2 ILE 79 1.099 2.394 4.343 608 HG23 ILE 79 3HG2 ILE 79 -0.277 1.419 4.858 609 HD11 ILE 79 3HD1 ILE 79 1.476 1.027 1.871 610 HD12 ILE 79 1HD1 ILE 79 2.659 -0.224 1.487 611 HD13 ILE 79 2HD1 ILE 79 3.174 1.454 1.657 612 H THR 80 H THR 80 -0.009 -1.723 5.832 613 HA THR 80 HA THR 80 1.903 -3.928 6.168 614 HB THR 80 HB THR 80 -0.756 -3.656 7.577 615 HG1 THR 80 1HG THR 80 1.862 -3.636 8.659 616 HG21 THR 80 3HG2 THR 80 0.547 -5.993 6.948 617 HG22 THR 80 1HG2 THR 80 -0.638 -5.771 8.236 618 HG23 THR 80 2HG2 THR 80 1.085 -5.649 8.592 619 H ILE 81 H ILE 81 1.655 -5.512 4.740 620 HA ILE 81 HA ILE 81 -0.705 -5.459 3.011 621 HB ILE 81 HB ILE 81 1.842 -7.006 2.565 622 HG12 ILE 81 2HG1 ILE 81 2.422 -4.660 2.682 623 HG13 ILE 81 1HG1 ILE 81 2.446 -5.167 0.996 624 HG21 ILE 81 1HG2 ILE 81 -0.449 -6.240 0.766 625 HG22 ILE 81 2HG2 ILE 81 0.013 -7.861 1.283 626 HG23 ILE 81 3HG2 ILE 81 1.063 -6.948 0.199 627 HD11 ILE 81 3HD1 ILE 81 1.195 -3.381 0.593 628 HD12 ILE 81 1HD1 ILE 81 0.851 -3.140 2.306 629 HD13 ILE 81 2HD1 ILE 81 -0.129 -4.260 1.359 630 H GLU 82 H GLU 82 -1.723 -7.450 2.382 631 HA GLU 82 HA GLU 82 -1.287 -9.700 4.212 632 HB2 GLU 82 2HB GLU 82 -3.124 -8.793 5.288 633 HB3 GLU 82 1HB GLU 82 -3.811 -8.152 3.804 634 HG2 GLU 82 2HG GLU 82 -4.540 -10.347 3.135 635 HG3 GLU 82 1HG GLU 82 -3.728 -11.075 4.520 636 H ILE 83 H ILE 83 -0.857 -11.433 3.026 637 HA ILE 83 HA ILE 83 -1.314 -11.587 0.248 638 HB ILE 83 HB ILE 83 -0.717 -13.818 2.197 639 HG12 ILE 83 2HG1 ILE 83 1.529 -13.320 0.640 640 HG13 ILE 83 1HG1 ILE 83 0.905 -11.712 0.989 641 HG21 ILE 83 1HG2 ILE 83 -0.628 -13.742 -0.814 642 HG22 ILE 83 2HG2 ILE 83 -1.649 -14.759 0.203 643 HG23 ILE 83 3HG2 ILE 83 0.096 -15.017 0.166 644 HD11 ILE 83 3HD1 ILE 83 0.780 -12.882 3.436 645 HD12 ILE 83 1HD1 ILE 83 2.120 -11.896 2.852 646 HD13 ILE 83 2HD1 ILE 83 2.204 -13.654 2.743 647 H LEU 84 H LEU 84 -3.321 -11.585 -0.557 648 HA LEU 84 HA LEU 84 -5.556 -12.738 0.781 649 HB2 LEU 84 2HB LEU 84 -5.359 -11.950 -2.123 650 HB3 LEU 84 1HB LEU 84 -6.823 -12.135 -1.176 651 HG LEU 84 HG LEU 84 -4.733 -9.980 -0.875 652 HD11 LEU 84 1HD1 LEU 84 -7.598 -9.398 -1.297 653 HD12 LEU 84 2HD1 LEU 84 -6.714 -10.066 -2.669 654 HD13 LEU 84 3HD1 LEU 84 -6.166 -8.571 -1.909 655 HD21 LEU 84 3HD2 LEU 84 -6.721 -9.187 0.738 656 HD22 LEU 84 1HD2 LEU 84 -5.324 -10.104 1.303 657 HD23 LEU 84 2HD2 LEU 84 -6.843 -10.932 0.959 658 H LYS 85 H LYS 85 -7.017 -14.297 -0.521 659 HA LYS 85 HA LYS 85 -5.384 -16.632 -1.153 660 HB2 LYS 85 2HB LYS 85 -7.549 -16.412 0.446 661 HB3 LYS 85 1HB LYS 85 -8.334 -16.862 -1.062 662 HG2 LYS 85 2HG LYS 85 -6.118 -18.405 0.271 663 HG3 LYS 85 1HG LYS 85 -7.835 -18.798 0.355 664 HD2 LYS 85 2HD LYS 85 -7.504 -20.058 -1.458 665 HD3 LYS 85 1HD LYS 85 -7.355 -18.546 -2.357 666 HE2 LYS 85 2HE LYS 85 -5.122 -18.751 -2.583 667 HE3 LYS 85 1HE LYS 85 -4.917 -19.421 -0.965 668 HZ1 LYS 85 3HZ LYS 85 -4.569 -20.860 -3.132 669 HZ2 LYS 85 1HZ LYS 85 -6.233 -21.103 -2.957 670 HZ3 LYS 85 2HZ LYS 85 -5.179 -21.533 -1.706 671 H GLY 86 H GLY 86 -4.753 -16.421 -3.237 672 HA2 GLY 86 2HA GLY 86 -6.598 -15.596 -5.302 673 HA3 GLY 86 1HA GLY 86 -4.925 -16.081 -5.529 Start of MODEL 12 1 H1 LYS 6 H LYS 6 11.460 13.410 -7.925 2 HA LYS 6 HA LYS 6 12.978 12.204 -5.706 3 HB2 LYS 6 2HB LYS 6 13.196 14.653 -5.853 4 HB3 LYS 6 1HB LYS 6 11.448 14.813 -5.750 5 HG2 LYS 6 2HG LYS 6 11.977 15.193 -3.579 6 HG3 LYS 6 1HG LYS 6 11.820 13.436 -3.522 7 HD2 LYS 6 2HD LYS 6 13.981 13.168 -3.023 8 HD3 LYS 6 1HD LYS 6 14.490 14.270 -4.302 9 HE2 LYS 6 2HE LYS 6 15.085 15.687 -2.690 10 HE3 LYS 6 1HE LYS 6 13.366 15.928 -2.384 11 HZ1 LYS 6 3HZ LYS 6 14.989 15.175 -0.491 12 HZ2 LYS 6 1HZ LYS 6 14.689 13.635 -1.128 13 HZ3 LYS 6 2HZ LYS 6 13.406 14.583 -0.564 14 H GLU 7 H GLU 7 11.835 10.472 -5.069 15 HA GLU 7 HA GLU 7 8.936 10.786 -4.683 16 HB2 GLU 7 2HB GLU 7 9.029 8.216 -4.571 17 HB3 GLU 7 1HB GLU 7 9.231 8.981 -6.141 18 HG2 GLU 7 2HG GLU 7 11.632 8.316 -4.506 19 HG3 GLU 7 1HG GLU 7 10.800 7.045 -5.400 20 H LYS 8 H LYS 8 8.134 9.216 -2.869 21 HA LYS 8 HA LYS 8 9.701 9.868 -0.486 22 HB2 LYS 8 2HB LYS 8 7.652 9.584 0.761 23 HB3 LYS 8 1HB LYS 8 7.357 10.663 -0.592 24 HG2 LYS 8 2HG LYS 8 6.799 7.999 -1.417 25 HG3 LYS 8 1HG LYS 8 5.984 8.299 0.116 26 HD2 LYS 8 2HD LYS 8 5.281 10.541 -1.026 27 HD3 LYS 8 1HD LYS 8 5.635 9.665 -2.517 28 HE2 LYS 8 2HE LYS 8 4.029 7.974 -1.981 29 HE3 LYS 8 1HE LYS 8 3.791 8.640 -0.366 30 HZ1 LYS 8 3HZ LYS 8 2.201 9.177 -2.425 31 HZ2 LYS 8 1HZ LYS 8 3.296 10.459 -2.576 32 HZ3 LYS 8 2HZ LYS 8 2.437 10.246 -1.135 33 H LYS 9 H LYS 9 9.778 8.299 1.259 34 HA LYS 9 HA LYS 9 9.892 5.536 0.244 35 HB2 LYS 9 2HB LYS 9 12.106 6.383 0.794 36 HB3 LYS 9 1HB LYS 9 11.556 6.863 2.393 37 HG2 LYS 9 2HG LYS 9 11.067 4.053 1.864 38 HG3 LYS 9 1HG LYS 9 12.774 4.481 1.718 39 HD2 LYS 9 2HD LYS 9 11.448 5.661 4.047 40 HD3 LYS 9 1HD LYS 9 11.478 3.897 4.060 41 HE2 LYS 9 2HE LYS 9 13.985 5.315 3.346 42 HE3 LYS 9 1HE LYS 9 13.473 5.360 5.032 43 HZ1 LYS 9 3HZ LYS 9 14.594 3.433 5.122 44 HZ2 LYS 9 1HZ LYS 9 14.472 3.138 3.460 45 HZ3 LYS 9 2HZ LYS 9 13.175 2.771 4.481 46 H ILE 10 H ILE 10 8.803 3.978 1.315 47 HA ILE 10 HA ILE 10 7.682 4.610 3.948 48 HB ILE 10 HB ILE 10 5.810 3.108 2.277 49 HG12 ILE 10 2HG1 ILE 10 6.610 5.914 1.510 50 HG13 ILE 10 1HG1 ILE 10 6.448 4.505 0.469 51 HG21 ILE 10 1HG2 ILE 10 5.260 3.902 4.494 52 HG22 ILE 10 2HG2 ILE 10 4.218 4.684 3.307 53 HG23 ILE 10 3HG2 ILE 10 5.575 5.567 4.007 54 HD11 ILE 10 3HD1 ILE 10 4.015 4.560 0.823 55 HD12 ILE 10 1HD1 ILE 10 4.634 6.035 0.082 56 HD13 ILE 10 2HD1 ILE 10 4.213 6.019 1.795 57 H ARG 11 H ARG 11 6.790 2.669 5.048 58 HA ARG 11 HA ARG 11 8.505 0.363 4.467 59 HB2 ARG 11 2HB ARG 11 8.636 1.371 6.722 60 HB3 ARG 11 1HB ARG 11 6.932 1.010 6.968 61 HG2 ARG 11 2HG ARG 11 7.413 -1.381 6.765 62 HG3 ARG 11 1HG ARG 11 9.122 -1.012 6.534 63 HD2 ARG 11 2HD ARG 11 7.469 -0.399 8.981 64 HD3 ARG 11 1HD ARG 11 8.696 -1.656 8.835 65 HE ARG 11 HE ARG 11 9.887 0.788 8.208 66 HH11 ARG 11 1HH1 ARG 11 8.464 -0.813 10.963 67 HH12 ARG 11 2HH1 ARG 11 9.440 0.033 12.116 68 HH21 ARG 11 1HH2 ARG 11 11.172 1.901 9.724 69 HH22 ARG 11 2HH2 ARG 11 10.977 1.574 11.414 70 H ILE 12 H ILE 12 7.633 -1.799 4.683 71 HA ILE 12 HA ILE 12 4.729 -2.012 4.342 72 HB ILE 12 HB ILE 12 6.698 -3.403 2.524 73 HG12 ILE 12 2HG1 ILE 12 4.684 -1.384 1.593 74 HG13 ILE 12 1HG1 ILE 12 6.232 -0.839 2.230 75 HG21 ILE 12 1HG2 ILE 12 3.711 -3.463 2.784 76 HG22 ILE 12 2HG2 ILE 12 4.848 -4.812 2.791 77 HG23 ILE 12 3HG2 ILE 12 4.526 -3.938 1.293 78 HD11 ILE 12 3HD1 ILE 12 7.384 -2.199 0.542 79 HD12 ILE 12 1HD1 ILE 12 6.316 -0.994 -0.178 80 HD13 ILE 12 2HD1 ILE 12 5.820 -2.685 -0.112 81 H THR 13 H THR 13 3.840 -3.975 4.985 82 HA THR 13 HA THR 13 5.591 -6.096 5.886 83 HB THR 13 HB THR 13 3.638 -5.136 7.922 84 HG1 THR 13 1HG THR 13 5.325 -3.830 8.796 85 HG21 THR 13 3HG2 THR 13 5.943 -5.839 9.179 86 HG22 THR 13 1HG2 THR 13 5.926 -6.925 7.790 87 HG23 THR 13 2HG2 THR 13 4.560 -6.900 8.904 88 H THR 14 H THR 14 4.721 -7.892 5.105 89 HA THR 14 HA THR 14 1.880 -7.990 4.551 90 HB THR 14 HB THR 14 2.298 -9.728 3.119 91 HG1 THR 14 1HG THR 14 3.207 -11.383 4.004 92 HG21 THR 14 3HG2 THR 14 4.066 -9.198 1.776 93 HG22 THR 14 1HG2 THR 14 5.138 -8.859 3.134 94 HG23 THR 14 2HG2 THR 14 3.877 -7.706 2.697 95 H ASN 15 H ASN 15 0.423 -9.303 5.436 96 HA ASN 15 HA ASN 15 0.494 -9.946 8.092 97 HB2 ASN 15 2HB ASN 15 -1.606 -10.814 7.789 98 HB3 ASN 15 1HB ASN 15 -1.441 -9.949 6.273 99 HD21 ASN 15 1HD2 ASN 15 -0.517 -11.264 4.470 100 HD22 ASN 15 2HD2 ASN 15 -1.087 -12.887 4.318 101 H ASP 16 H ASP 16 1.771 -11.809 5.440 102 HA ASP 16 HA ASP 16 1.874 -14.337 6.632 103 HB2 ASP 16 2HB ASP 16 2.665 -13.324 4.228 104 HB3 ASP 16 1HB ASP 16 4.221 -13.602 5.003 105 H GLY 17 H GLY 17 3.689 -11.463 7.229 106 HA2 GLY 17 2HA GLY 17 4.748 -11.297 9.421 107 HA3 GLY 17 1HA GLY 17 5.315 -12.945 9.195 108 H ARG 18 H ARG 18 5.368 -10.567 6.625 109 HA ARG 18 HA ARG 18 8.284 -10.312 6.985 110 HB2 ARG 18 2HB ARG 18 8.767 -10.840 4.774 111 HB3 ARG 18 1HB ARG 18 7.509 -11.995 5.181 112 HG2 ARG 18 2HG ARG 18 5.863 -10.478 4.098 113 HG3 ARG 18 1HG ARG 18 7.213 -9.475 3.567 114 HD2 ARG 18 2HD ARG 18 6.648 -10.931 1.765 115 HD3 ARG 18 1HD ARG 18 8.169 -11.495 2.452 116 HE ARG 18 HE ARG 18 7.110 -13.412 3.182 117 HH11 ARG 18 1HH1 ARG 18 4.744 -11.136 1.999 118 HH12 ARG 18 2HH1 ARG 18 3.478 -12.312 1.905 119 HH21 ARG 18 1HH2 ARG 18 5.446 -14.962 3.052 120 HH22 ARG 18 2HH2 ARG 18 3.876 -14.483 2.497 121 H GLN 19 H GLN 19 9.243 -8.418 5.983 122 HA GLN 19 HA GLN 19 7.356 -6.320 5.219 123 HB2 GLN 19 2HB GLN 19 8.741 -4.744 6.742 124 HB3 GLN 19 1HB GLN 19 7.488 -5.741 7.461 125 HG2 GLN 19 2HG GLN 19 9.228 -6.010 8.934 126 HG3 GLN 19 1HG GLN 19 9.411 -7.419 7.890 127 HE21 GLN 19 1HE2 GLN 19 10.433 -4.021 8.010 128 HE22 GLN 19 2HE2 GLN 19 12.065 -4.316 7.525 129 H SER 20 H SER 20 8.380 -4.423 4.298 130 HA SER 20 HA SER 20 11.136 -4.463 3.550 131 HB2 SER 20 2HB SER 20 9.591 -6.060 1.956 132 HB3 SER 20 1HB SER 20 9.509 -4.526 1.092 133 HG SER 20 HG SER 20 11.703 -4.528 0.881 134 H MET 21 H MET 21 11.707 -2.573 2.219 135 HA MET 21 HA MET 21 9.765 -0.401 2.623 136 HB2 MET 21 2HB MET 21 11.551 1.113 2.883 137 HB3 MET 21 1HB MET 21 12.023 -0.311 3.798 138 HG2 MET 21 2HG MET 21 12.934 0.039 0.973 139 HG3 MET 21 1HG MET 21 13.751 0.875 2.290 140 HE1 MET 21 3HE MET 21 13.303 -3.357 1.164 141 HE2 MET 21 1HE MET 21 14.734 -2.654 0.412 142 HE3 MET 21 2HE MET 21 13.167 -1.866 0.231 143 H VAL 22 H VAL 22 9.702 1.316 1.054 144 HA VAL 22 HA VAL 22 10.607 0.588 -1.630 145 HB VAL 22 HB VAL 22 8.321 1.269 -2.495 146 HG11 VAL 22 1HG1 VAL 22 9.185 -1.051 -2.458 147 HG12 VAL 22 2HG1 VAL 22 7.432 -0.956 -2.301 148 HG13 VAL 22 3HG1 VAL 22 8.428 -1.269 -0.880 149 HG21 VAL 22 3HG2 VAL 22 7.590 2.242 -0.307 150 HG22 VAL 22 1HG2 VAL 22 7.435 0.592 0.296 151 HG23 VAL 22 2HG2 VAL 22 6.436 1.135 -1.051 152 H THR 23 H THR 23 10.025 2.412 -3.205 153 HA THR 23 HA THR 23 10.468 5.002 -1.867 154 HB THR 23 HB THR 23 12.398 4.110 -3.210 155 HG1 THR 23 1HG THR 23 12.309 6.304 -2.941 156 HG21 THR 23 3HG2 THR 23 11.041 4.891 -5.714 157 HG22 THR 23 1HG2 THR 23 10.669 3.299 -5.054 158 HG23 THR 23 2HG2 THR 23 12.337 3.728 -5.435 159 H LEU 24 H LEU 24 7.908 4.175 -2.162 160 HA LEU 24 HA LEU 24 6.411 4.507 -4.356 161 HB2 LEU 24 2HB LEU 24 5.950 4.643 -1.612 162 HB3 LEU 24 1HB LEU 24 5.267 6.130 -2.244 163 HG LEU 24 HG LEU 24 3.877 4.842 -3.798 164 HD11 LEU 24 1HD1 LEU 24 3.985 2.597 -4.093 165 HD12 LEU 24 2HD1 LEU 24 4.511 2.292 -2.437 166 HD13 LEU 24 3HD1 LEU 24 5.665 2.877 -3.635 167 HD21 LEU 24 3HD2 LEU 24 2.291 4.111 -2.228 168 HD22 LEU 24 1HD2 LEU 24 3.190 5.388 -1.411 169 HD23 LEU 24 2HD2 LEU 24 3.530 3.697 -1.044 170 H LYS 25 H LYS 25 5.911 6.003 -5.818 171 HA LYS 25 HA LYS 25 7.325 8.483 -5.848 172 HB2 LYS 25 2HB LYS 25 5.869 6.861 -7.709 173 HB3 LYS 25 1HB LYS 25 5.280 8.514 -7.809 174 HG2 LYS 25 2HG LYS 25 8.190 7.771 -7.964 175 HG3 LYS 25 1HG LYS 25 7.144 7.950 -9.374 176 HD2 LYS 25 2HD LYS 25 7.827 10.075 -7.344 177 HD3 LYS 25 1HD LYS 25 8.375 9.998 -9.020 178 HE2 LYS 25 2HE LYS 25 5.630 9.854 -9.239 179 HE3 LYS 25 1HE LYS 25 5.872 10.990 -7.914 180 HZ1 LYS 25 3HZ LYS 25 5.901 11.696 -10.473 181 HZ2 LYS 25 1HZ LYS 25 7.551 11.390 -10.250 182 HZ3 LYS 25 2HZ LYS 25 6.762 12.526 -9.276 183 H SER 26 H SER 26 6.365 10.596 -6.026 184 HA SER 26 HA SER 26 4.604 11.223 -3.967 185 HB2 SER 26 2HB SER 26 6.081 12.909 -4.843 186 HB3 SER 26 1HB SER 26 5.346 12.795 -6.443 187 HG SER 26 HG SER 26 3.873 13.534 -4.144 188 H SER 27 H SER 27 3.961 10.983 -7.458 189 HA SER 27 HA SER 27 1.094 11.226 -6.941 190 HB2 SER 27 2HB SER 27 1.891 12.592 -8.756 191 HB3 SER 27 1HB SER 27 2.694 11.214 -9.508 192 HG SER 27 HG SER 27 -0.107 11.486 -9.129 193 H THR 28 H THR 28 2.292 8.889 -5.972 194 HA THR 28 HA THR 28 1.690 6.779 -7.882 195 HB THR 28 HB THR 28 2.917 6.849 -5.137 196 HG1 THR 28 1HG THR 28 3.782 5.877 -7.654 197 HG21 THR 28 3HG2 THR 28 1.518 4.590 -6.321 198 HG22 THR 28 1HG2 THR 28 2.102 4.832 -4.677 199 HG23 THR 28 2HG2 THR 28 3.202 4.250 -5.926 200 H THR 29 H THR 29 -0.385 6.249 -8.123 201 HA THR 29 HA THR 29 -2.271 6.583 -5.949 202 HB THR 29 HB THR 29 -3.065 7.190 -8.125 203 HG1 THR 29 1HG THR 29 -4.282 4.683 -7.778 204 HG21 THR 29 3HG2 THR 29 -2.272 6.215 -9.941 205 HG22 THR 29 1HG2 THR 29 -3.321 4.842 -9.585 206 HG23 THR 29 2HG2 THR 29 -1.654 4.848 -9.011 207 H PHE 30 H PHE 30 -3.949 4.625 -5.832 208 HA PHE 30 HA PHE 30 -2.797 2.598 -4.404 209 HB2 PHE 30 2HB PHE 30 -5.233 3.042 -4.497 210 HB3 PHE 30 1HB PHE 30 -5.284 2.321 -6.104 211 HD1 PHE 30 1HD PHE 30 -4.347 1.557 -2.588 212 HD2 PHE 30 2HD PHE 30 -5.667 0.048 -6.342 213 HE1 PHE 30 1HE PHE 30 -4.669 -0.662 -1.578 214 HE2 PHE 30 2HE PHE 30 -5.996 -2.174 -5.337 215 HZ PHE 30 HZ PHE 30 -5.497 -2.531 -2.952 216 H PHE 31 H PHE 31 -3.427 2.653 -7.887 217 HA PHE 31 HA PHE 31 -2.677 0.013 -8.461 218 HB2 PHE 31 2HB PHE 31 -2.441 2.492 -10.184 219 HB3 PHE 31 1HB PHE 31 -2.289 0.840 -10.772 220 HD1 PHE 31 1HD PHE 31 -4.614 3.313 -9.351 221 HD2 PHE 31 2HD PHE 31 -4.197 -0.507 -11.177 222 HE1 PHE 31 1HE PHE 31 -7.049 3.217 -9.693 223 HE2 PHE 31 2HE PHE 31 -6.631 -0.611 -11.525 224 HZ PHE 31 HZ PHE 31 -8.060 1.253 -10.783 225 H GLU 32 H GLU 32 -0.751 2.982 -8.896 226 HA GLU 32 HA GLU 32 1.672 1.827 -9.508 227 HB2 GLU 32 2HB GLU 32 0.923 4.385 -8.131 228 HB3 GLU 32 1HB GLU 32 2.610 3.961 -8.384 229 HG2 GLU 32 2HG GLU 32 1.681 5.447 -10.119 230 HG3 GLU 32 1HG GLU 32 2.314 3.931 -10.747 231 H LEU 33 H LEU 33 0.143 2.240 -6.389 232 HA LEU 33 HA LEU 33 2.448 1.594 -4.835 233 HB2 LEU 33 2HB LEU 33 0.799 2.841 -3.726 234 HB3 LEU 33 1HB LEU 33 -0.492 1.781 -4.257 235 HG LEU 33 HG LEU 33 0.188 0.068 -2.707 236 HD11 LEU 33 1HD1 LEU 33 2.627 1.732 -2.497 237 HD12 LEU 33 2HD1 LEU 33 2.446 -0.021 -2.503 238 HD13 LEU 33 3HD1 LEU 33 2.083 0.899 -1.043 239 HD21 LEU 33 3HD2 LEU 33 -1.209 1.975 -1.898 240 HD22 LEU 33 1HD2 LEU 33 0.262 2.702 -1.249 241 HD23 LEU 33 2HD2 LEU 33 -0.298 1.146 -0.637 242 H GLN 34 H GLN 34 -0.424 -0.234 -5.861 243 HA GLN 34 HA GLN 34 0.190 -2.652 -4.612 244 HB2 GLN 34 2HB GLN 34 -1.313 -2.101 -7.174 245 HB3 GLN 34 1HB GLN 34 -1.245 -3.680 -6.404 246 HG2 GLN 34 2HG GLN 34 -2.057 -1.543 -4.596 247 HG3 GLN 34 1HG GLN 34 -3.143 -1.760 -5.969 248 HE21 GLN 34 1HE2 GLN 34 -1.272 -3.900 -3.838 249 HE22 GLN 34 2HE2 GLN 34 -2.588 -4.951 -3.456 250 H GLU 35 H GLU 35 1.444 -1.205 -7.517 251 HA GLU 35 HA GLU 35 2.655 -3.607 -8.519 252 HB2 GLU 35 2HB GLU 35 1.996 -1.789 -10.030 253 HB3 GLU 35 1HB GLU 35 3.142 -0.712 -9.245 254 HG2 GLU 35 2HG GLU 35 4.859 -1.496 -10.425 255 HG3 GLU 35 1HG GLU 35 4.365 -3.174 -10.200 256 H SER 36 H SER 36 3.555 -1.071 -6.327 257 HA SER 36 HA SER 36 6.373 -1.489 -6.450 258 HB2 SER 36 2HB SER 36 4.530 -0.032 -4.580 259 HB3 SER 36 1HB SER 36 6.219 -0.279 -4.137 260 HG SER 36 HG SER 36 5.214 1.566 -5.740 261 H ILE 37 H ILE 37 3.889 -2.413 -4.067 262 HA ILE 37 HA ILE 37 5.545 -3.895 -2.379 263 HB ILE 37 HB ILE 37 2.634 -4.453 -2.965 264 HG12 ILE 37 2HG1 ILE 37 3.248 -2.920 -0.557 265 HG13 ILE 37 1HG1 ILE 37 3.724 -2.080 -2.029 266 HG21 ILE 37 1HG2 ILE 37 2.529 -5.593 -0.934 267 HG22 ILE 37 2HG2 ILE 37 4.058 -4.919 -0.369 268 HG23 ILE 37 3HG2 ILE 37 4.049 -6.135 -1.646 269 HD11 ILE 37 3HD1 ILE 37 0.998 -3.278 -1.763 270 HD12 ILE 37 1HD1 ILE 37 1.547 -1.976 -2.818 271 HD13 ILE 37 2HD1 ILE 37 1.371 -1.693 -1.087 272 H ALA 38 H ALA 38 3.830 -4.809 -5.315 273 HA ALA 38 HA ALA 38 4.202 -7.574 -5.194 274 HB1 ALA 38 1HB ALA 38 3.642 -5.613 -7.342 275 HB2 ALA 38 2HB ALA 38 2.754 -7.060 -6.866 276 HB3 ALA 38 3HB ALA 38 4.221 -7.205 -7.833 277 H ARG 39 H ARG 39 6.473 -5.056 -5.696 278 HA ARG 39 HA ARG 39 8.414 -6.799 -6.992 279 HB2 ARG 39 2HB ARG 39 8.985 -4.011 -6.037 280 HB3 ARG 39 1HB ARG 39 9.721 -4.893 -7.368 281 HG2 ARG 39 2HG ARG 39 7.162 -4.779 -8.216 282 HG3 ARG 39 1HG ARG 39 7.268 -3.284 -7.288 283 HD2 ARG 39 2HD ARG 39 8.972 -2.428 -8.629 284 HD3 ARG 39 1HD ARG 39 9.385 -4.016 -9.275 285 HE ARG 39 HE ARG 39 6.732 -3.132 -9.956 286 HH11 ARG 39 1HH1 ARG 39 10.101 -3.066 -10.871 287 HH12 ARG 39 2HH1 ARG 39 9.769 -2.743 -12.539 288 HH21 ARG 39 1HH2 ARG 39 6.297 -2.706 -12.150 289 HH22 ARG 39 2HH2 ARG 39 7.610 -2.537 -13.266 290 H GLU 40 H GLU 40 8.203 -4.817 -4.049 291 HA GLU 40 HA GLU 40 10.560 -5.717 -2.853 292 HB2 GLU 40 2HB GLU 40 8.174 -4.233 -2.023 293 HB3 GLU 40 1HB GLU 40 8.929 -5.140 -0.719 294 HG2 GLU 40 2HG GLU 40 9.703 -2.785 -0.954 295 HG3 GLU 40 1HG GLU 40 10.984 -3.993 -0.996 296 H PHE 41 H PHE 41 7.411 -7.170 -3.057 297 HA PHE 41 HA PHE 41 8.397 -9.417 -1.430 298 HB2 PHE 41 2HB PHE 41 5.521 -8.503 -1.585 299 HB3 PHE 41 1HB PHE 41 6.178 -9.769 -0.552 300 HD1 PHE 41 2HD PHE 41 5.928 -6.156 -1.092 301 HD2 PHE 41 1HD PHE 41 7.393 -9.234 1.451 302 HE1 PHE 41 2HE PHE 41 6.331 -4.498 0.677 303 HE2 PHE 41 1HE PHE 41 7.798 -7.582 3.227 304 HZ PHE 41 HZ PHE 41 7.267 -5.211 2.841 305 H ASN 42 H ASN 42 6.427 -11.245 -1.859 306 HA ASN 42 HA ASN 42 6.579 -11.669 -4.770 307 HB2 ASN 42 2HB ASN 42 6.734 -13.610 -2.473 308 HB3 ASN 42 1HB ASN 42 6.380 -14.139 -4.115 309 HD21 ASN 42 1HD2 ASN 42 8.688 -12.059 -2.400 310 HD22 ASN 42 2HD2 ASN 42 10.078 -12.589 -3.278 311 H ILE 43 H ILE 43 4.461 -10.196 -4.004 312 HA ILE 43 HA ILE 43 2.243 -12.082 -4.344 313 HB ILE 43 HB ILE 43 2.089 -9.663 -2.544 314 HG12 ILE 43 2HG1 ILE 43 1.611 -11.891 -0.992 315 HG13 ILE 43 1HG1 ILE 43 2.917 -12.429 -2.041 316 HG21 ILE 43 1HG2 ILE 43 0.105 -11.905 -2.824 317 HG22 ILE 43 2HG2 ILE 43 0.015 -10.425 -3.780 318 HG23 ILE 43 3HG2 ILE 43 -0.109 -10.348 -2.022 319 HD11 ILE 43 3HD1 ILE 43 2.906 -10.388 0.089 320 HD12 ILE 43 1HD1 ILE 43 3.918 -10.077 -1.321 321 HD13 ILE 43 2HD1 ILE 43 4.152 -11.547 -0.376 322 HA PRO 44 HA PRO 44 1.363 -9.345 -7.723 323 HB2 PRO 44 2HB PRO 44 -1.125 -10.251 -8.322 324 HB3 PRO 44 1HB PRO 44 0.347 -11.135 -8.737 325 HG2 PRO 44 2HG PRO 44 -1.541 -11.559 -6.457 326 HG3 PRO 44 1HG PRO 44 -0.740 -12.759 -7.487 327 HD2 PRO 44 2HD PRO 44 0.134 -12.130 -4.989 328 HD3 PRO 44 1HD PRO 44 1.220 -12.666 -6.283 329 HA PRO 45 HA PRO 45 -1.015 -5.943 -6.256 330 HB2 PRO 45 2HB PRO 45 -2.365 -5.130 -8.487 331 HB3 PRO 45 1HB PRO 45 -0.645 -4.829 -8.219 332 HG2 PRO 45 2HG PRO 45 -1.963 -6.967 -9.846 333 HG3 PRO 45 1HG PRO 45 -0.543 -5.978 -10.237 334 HD2 PRO 45 2HD PRO 45 -0.313 -8.513 -9.363 335 HD3 PRO 45 1HD PRO 45 0.869 -7.260 -8.928 336 H TYR 46 H TYR 46 -2.681 -8.609 -7.728 337 HA TYR 46 HA TYR 46 -5.268 -7.648 -6.770 338 HB2 TYR 46 2HB TYR 46 -6.249 -9.475 -8.018 339 HB3 TYR 46 1HB TYR 46 -5.115 -8.608 -9.047 340 HD1 TYR 46 1HD TYR 46 -2.993 -9.641 -9.704 341 HD2 TYR 46 2HD TYR 46 -5.838 -11.755 -7.351 342 HE1 TYR 46 1HE TYR 46 -1.838 -11.750 -10.213 343 HE2 TYR 46 2HE TYR 46 -4.690 -13.871 -7.853 344 HH TYR 46 HH TYR 46 -2.269 -14.122 -10.266 345 H LEU 47 H LEU 47 -2.833 -8.958 -5.228 346 HA LEU 47 HA LEU 47 -4.575 -10.564 -3.495 347 HB2 LEU 47 2HB LEU 47 -1.854 -11.343 -4.516 348 HB3 LEU 47 1HB LEU 47 -2.586 -12.084 -3.108 349 HG LEU 47 HG LEU 47 -3.659 -12.168 -5.926 350 HD11 LEU 47 1HD1 LEU 47 -1.777 -13.625 -5.679 351 HD12 LEU 47 2HD1 LEU 47 -3.243 -14.606 -5.664 352 HD13 LEU 47 3HD1 LEU 47 -2.403 -14.254 -4.155 353 HD21 LEU 47 3HD2 LEU 47 -5.355 -13.687 -5.005 354 HD22 LEU 47 1HD2 LEU 47 -5.486 -12.063 -4.335 355 HD23 LEU 47 2HD2 LEU 47 -4.758 -13.354 -3.381 356 H GLN 48 H GLN 48 -2.829 -7.865 -3.666 357 HA GLN 48 HA GLN 48 -1.681 -8.153 -0.975 358 HB2 GLN 48 2HB GLN 48 -1.049 -6.201 -3.191 359 HB3 GLN 48 1HB GLN 48 -0.391 -6.082 -1.566 360 HG2 GLN 48 2HG GLN 48 0.767 -8.156 -1.808 361 HG3 GLN 48 1HG GLN 48 -0.027 -8.474 -3.347 362 HE21 GLN 48 1HE2 GLN 48 0.203 -6.169 -4.692 363 HE22 GLN 48 2HE2 GLN 48 1.862 -5.764 -4.945 364 H CYS 49 H CYS 49 -2.999 -7.445 0.554 365 HA CYS 49 HA CYS 49 -4.729 -5.138 -0.005 366 HB2 CYS 49 2HB CYS 49 -5.960 -7.071 0.763 367 HB3 CYS 49 1HB CYS 49 -4.882 -7.269 2.137 368 HG CYS 49 HG CYS 49 -6.639 -4.721 2.003 369 H ILE 50 H ILE 50 -3.683 -3.320 0.477 370 HA ILE 50 HA ILE 50 -1.714 -3.178 2.570 371 HB ILE 50 HB ILE 50 -2.880 -0.896 0.980 372 HG12 ILE 50 2HG1 ILE 50 -0.250 -1.908 0.181 373 HG13 ILE 50 1HG1 ILE 50 -1.545 -3.074 -0.074 374 HG21 ILE 50 1HG2 ILE 50 -0.744 0.198 1.494 375 HG22 ILE 50 2HG2 ILE 50 -0.274 -1.196 2.467 376 HG23 ILE 50 3HG2 ILE 50 -1.649 -0.205 2.953 377 HD11 ILE 50 3HD1 ILE 50 -2.701 -1.612 -1.518 378 HD12 ILE 50 1HD1 ILE 50 -1.008 -1.568 -2.011 379 HD13 ILE 50 2HD1 ILE 50 -1.684 -0.244 -1.064 380 H ARG 51 H ARG 51 -1.763 -1.851 4.391 381 HA ARG 51 HA ARG 51 -4.314 -0.708 5.210 382 HB2 ARG 51 2HB ARG 51 -2.790 -2.669 6.934 383 HB3 ARG 51 1HB ARG 51 -4.269 -1.827 7.375 384 HG2 ARG 51 2HG ARG 51 -5.163 -3.018 5.187 385 HG3 ARG 51 1HG ARG 51 -3.868 -4.152 5.584 386 HD2 ARG 51 2HD ARG 51 -4.844 -4.154 7.946 387 HD3 ARG 51 1HD ARG 51 -6.255 -3.379 7.229 388 HE ARG 51 HE ARG 51 -5.913 -5.550 5.670 389 HH11 ARG 51 1HH1 ARG 51 -6.097 -5.136 9.130 390 HH12 ARG 51 2HH1 ARG 51 -6.781 -6.703 9.407 391 HH21 ARG 51 1HH2 ARG 51 -6.813 -7.612 6.032 392 HH22 ARG 51 2HH2 ARG 51 -7.188 -8.108 7.649 393 H TYR 52 H TYR 52 -4.098 1.084 6.479 394 HA TYR 52 HA TYR 52 -1.453 1.697 7.579 395 HB2 TYR 52 2HB TYR 52 -1.439 3.918 6.636 396 HB3 TYR 52 1HB TYR 52 -1.643 2.755 5.331 397 HD1 TYR 52 2HD TYR 52 -4.048 2.335 4.503 398 HD2 TYR 52 1HD TYR 52 -2.937 5.692 6.869 399 HE1 TYR 52 2HE TYR 52 -6.065 3.524 3.753 400 HE2 TYR 52 1HE TYR 52 -4.952 6.890 6.126 401 HH TYR 52 HH TYR 52 -6.779 5.971 3.516 402 H GLY 53 H GLY 53 -1.526 3.638 9.033 403 HA2 GLY 53 2HA GLY 53 -2.417 4.791 10.809 404 HA3 GLY 53 1HA GLY 53 -3.993 4.586 10.061 405 H PHE 54 H PHE 54 -3.582 4.504 12.821 406 HA PHE 54 HA PHE 54 -4.003 1.655 13.438 407 HB2 PHE 54 2HB PHE 54 -2.167 3.338 14.565 408 HB3 PHE 54 1HB PHE 54 -3.510 3.479 15.694 409 HD1 PHE 54 2HD PHE 54 -1.069 1.181 14.199 410 HD2 PHE 54 1HD PHE 54 -4.139 1.659 17.105 411 HE1 PHE 54 2HE PHE 54 -0.394 -0.936 15.255 412 HE2 PHE 54 1HE PHE 54 -3.469 -0.457 18.168 413 HZ PHE 54 HZ PHE 54 -1.595 -1.758 17.242 414 HA PRO 55 HA PRO 55 -5.282 0.206 14.210 415 HB2 PRO 55 2HB PRO 55 -7.585 -0.829 13.199 416 HB3 PRO 55 1HB PRO 55 -7.297 -0.628 14.931 417 HG2 PRO 55 2HG PRO 55 -8.834 1.125 13.051 418 HG3 PRO 55 1HG PRO 55 -9.257 0.603 14.693 419 HD2 PRO 55 2HD PRO 55 -8.236 3.047 14.183 420 HD3 PRO 55 1HD PRO 55 -7.880 2.169 15.684 421 HA PRO 56 HA PRO 56 -4.340 0.130 9.907 422 HB2 PRO 56 2HB PRO 56 -4.595 -2.494 9.236 423 HB3 PRO 56 1HB PRO 56 -3.257 -1.871 10.207 424 HG2 PRO 56 2HG PRO 56 -5.760 -3.251 11.094 425 HG3 PRO 56 1HG PRO 56 -4.095 -3.474 11.664 426 HD2 PRO 56 2HD PRO 56 -5.912 -1.999 13.022 427 HD3 PRO 56 1HD PRO 56 -4.179 -1.615 13.028 428 H LYS 57 H LYS 57 -5.490 0.844 8.273 429 HA LYS 57 HA LYS 57 -8.291 0.123 8.000 430 HB2 LYS 57 2HB LYS 57 -6.554 2.158 6.600 431 HB3 LYS 57 1HB LYS 57 -8.237 1.872 6.174 432 HG2 LYS 57 2HG LYS 57 -8.465 2.262 8.836 433 HG3 LYS 57 1HG LYS 57 -7.079 3.291 8.471 434 HD2 LYS 57 2HD LYS 57 -8.449 4.847 7.669 435 HD3 LYS 57 1HD LYS 57 -9.023 3.711 6.447 436 HE2 LYS 57 2HE LYS 57 -11.018 3.941 7.436 437 HE3 LYS 57 1HE LYS 57 -10.362 2.878 8.681 438 HZ1 LYS 57 3HZ LYS 57 -11.408 5.078 9.400 439 HZ2 LYS 57 1HZ LYS 57 -9.989 5.803 8.830 440 HZ3 LYS 57 2HZ LYS 57 -9.914 4.661 10.076 441 H GLU 58 H GLU 58 -9.017 0.005 5.566 442 HA GLU 58 HA GLU 58 -7.306 -2.007 4.265 443 HB2 GLU 58 2HB GLU 58 -9.614 -2.688 5.192 444 HB3 GLU 58 1HB GLU 58 -10.275 -1.776 3.841 445 HG2 GLU 58 2HG GLU 58 -9.005 -3.200 2.289 446 HG3 GLU 58 1HG GLU 58 -8.417 -4.137 3.661 447 H LEU 59 H LEU 59 -6.265 -0.062 3.322 448 HA LEU 59 HA LEU 59 -7.372 1.816 1.682 449 HB2 LEU 59 2HB LEU 59 -4.936 1.497 2.340 450 HB3 LEU 59 1HB LEU 59 -4.819 0.373 1.000 451 HG LEU 59 HG LEU 59 -5.222 2.101 -0.601 452 HD11 LEU 59 1HD1 LEU 59 -5.915 3.797 1.783 453 HD12 LEU 59 2HD1 LEU 59 -6.926 3.396 0.394 454 HD13 LEU 59 3HD1 LEU 59 -5.546 4.476 0.198 455 HD21 LEU 59 3HD2 LEU 59 -3.366 3.232 1.485 456 HD22 LEU 59 1HD2 LEU 59 -3.329 3.530 -0.253 457 HD23 LEU 59 2HD2 LEU 59 -2.943 1.928 0.375 458 H MET 60 H MET 60 -9.162 0.931 0.614 459 HA MET 60 HA MET 60 -8.907 -1.214 -1.262 460 HB2 MET 60 2HB MET 60 -11.217 -0.747 -1.823 461 HB3 MET 60 1HB MET 60 -11.020 -0.693 -0.077 462 HG2 MET 60 2HG MET 60 -10.879 1.777 -0.228 463 HG3 MET 60 1HG MET 60 -11.240 1.651 -1.947 464 HE1 MET 60 3HE MET 60 -13.778 1.261 1.685 465 HE2 MET 60 1HE MET 60 -12.120 0.694 1.484 466 HE3 MET 60 2HE MET 60 -13.469 -0.393 1.156 467 HA PRO 61 HA PRO 61 -7.657 0.956 -4.885 468 HB2 PRO 61 2HB PRO 61 -9.092 -0.268 -6.840 469 HB3 PRO 61 1HB PRO 61 -7.727 -1.038 -6.023 470 HG2 PRO 61 2HG PRO 61 -10.659 -1.379 -5.544 471 HG3 PRO 61 1HG PRO 61 -9.380 -2.606 -5.586 472 HD2 PRO 61 2HD PRO 61 -10.400 -1.622 -3.274 473 HD3 PRO 61 1HD PRO 61 -8.721 -2.170 -3.423 474 HA PRO 62 HA PRO 62 -10.675 4.172 -5.469 475 HB2 PRO 62 2HB PRO 62 -9.358 5.604 -7.345 476 HB3 PRO 62 1HB PRO 62 -8.883 5.601 -5.645 477 HG2 PRO 62 2HG PRO 62 -7.720 4.080 -7.943 478 HG3 PRO 62 1HG PRO 62 -6.888 4.916 -6.619 479 HD2 PRO 62 2HD PRO 62 -7.272 2.226 -6.664 480 HD3 PRO 62 1HD PRO 62 -7.186 3.166 -5.161 481 H GLN 63 H GLN 63 -11.379 5.464 -7.646 482 HA GLN 63 HA GLN 63 -11.917 3.512 -9.758 483 HB2 GLN 63 2HB GLN 63 -13.834 4.378 -7.847 484 HB3 GLN 63 1HB GLN 63 -14.261 5.113 -9.386 485 HG2 GLN 63 2HG GLN 63 -15.405 3.152 -9.538 486 HG3 GLN 63 1HG GLN 63 -13.882 2.682 -10.293 487 HE21 GLN 63 1HE2 GLN 63 -14.562 0.512 -9.735 488 HE22 GLN 63 2HE2 GLN 63 -14.247 -0.093 -8.148 489 H ALA 64 H ALA 64 -13.615 5.066 -11.302 490 HA ALA 64 HA ALA 64 -11.845 6.675 -12.725 491 HB1 ALA 64 1HB ALA 64 -14.763 6.212 -12.759 492 HB2 ALA 64 2HB ALA 64 -13.581 6.112 -14.063 493 HB3 ALA 64 3HB ALA 64 -14.188 7.683 -13.543 494 H GLY 65 H GLY 65 -10.813 8.316 -11.715 495 HA2 GLY 65 2HA GLY 65 -11.163 10.777 -11.476 496 HA3 GLY 65 1HA GLY 65 -12.504 10.366 -10.419 497 H MET 66 H MET 66 -10.954 8.124 -9.226 498 HA MET 66 HA MET 66 -9.315 9.766 -7.423 499 HB2 MET 66 2HB MET 66 -10.970 7.310 -7.049 500 HB3 MET 66 1HB MET 66 -9.581 7.551 -5.998 501 HG2 MET 66 2HG MET 66 -11.315 9.894 -6.278 502 HG3 MET 66 1HG MET 66 -12.081 8.496 -5.527 503 HE1 MET 66 3HE MET 66 -12.074 8.113 -3.176 504 HE2 MET 66 1HE MET 66 -10.688 8.278 -2.098 505 HE3 MET 66 2HE MET 66 -10.634 7.129 -3.435 506 H GLU 67 H GLU 67 -9.232 7.082 -9.613 507 HA GLU 67 HA GLU 67 -6.961 5.723 -8.786 508 HB2 GLU 67 2HB GLU 67 -6.749 4.955 -11.086 509 HB3 GLU 67 1HB GLU 67 -8.440 4.962 -10.601 510 HG2 GLU 67 2HG GLU 67 -8.603 7.228 -11.725 511 HG3 GLU 67 1HG GLU 67 -7.023 6.877 -12.421 512 H LYS 68 H LYS 68 -7.253 8.802 -10.389 513 HA LYS 68 HA LYS 68 -4.503 8.974 -11.175 514 HB2 LYS 68 2HB LYS 68 -6.603 11.133 -10.908 515 HB3 LYS 68 1HB LYS 68 -5.032 11.336 -11.671 516 HG2 LYS 68 2HG LYS 68 -5.602 9.863 -13.439 517 HG3 LYS 68 1HG LYS 68 -7.067 9.334 -12.610 518 HD2 LYS 68 2HD LYS 68 -6.739 12.229 -13.227 519 HD3 LYS 68 1HD LYS 68 -7.160 11.127 -14.539 520 HE2 LYS 68 2HE LYS 68 -8.966 10.280 -12.848 521 HE3 LYS 68 1HE LYS 68 -8.711 11.852 -12.092 522 HZ1 LYS 68 3HZ LYS 68 -9.293 12.933 -14.139 523 HZ2 LYS 68 1HZ LYS 68 -10.527 11.849 -13.729 524 HZ3 LYS 68 2HZ LYS 68 -9.424 11.452 -14.947 525 H GLU 69 H GLU 69 -6.309 9.686 -8.307 526 HA GLU 69 HA GLU 69 -4.438 11.507 -7.158 527 HB2 GLU 69 2HB GLU 69 -6.926 10.177 -6.347 528 HB3 GLU 69 1HB GLU 69 -5.795 10.438 -5.025 529 HG2 GLU 69 2HG GLU 69 -6.301 12.720 -6.837 530 HG3 GLU 69 1HG GLU 69 -7.606 12.239 -5.753 531 HA PRO 70 HA PRO 70 -1.446 8.588 -5.707 532 HB2 PRO 70 2HB PRO 70 -0.228 10.061 -3.806 533 HB3 PRO 70 1HB PRO 70 -0.049 10.415 -5.528 534 HG2 PRO 70 2HG PRO 70 -1.818 11.724 -3.499 535 HG3 PRO 70 1HG PRO 70 -0.834 12.469 -4.773 536 HD2 PRO 70 2HD PRO 70 -3.521 12.050 -5.002 537 HD3 PRO 70 1HD PRO 70 -2.416 12.080 -6.391 538 H VAL 71 H VAL 71 -0.704 7.485 -3.734 539 HA VAL 71 HA VAL 71 -2.861 6.534 -2.198 540 HB VAL 71 HB VAL 71 -0.993 5.503 -0.766 541 HG11 VAL 71 1HG1 VAL 71 -2.076 4.128 -2.327 542 HG12 VAL 71 2HG1 VAL 71 -0.359 3.951 -2.682 543 HG13 VAL 71 3HG1 VAL 71 -1.366 4.981 -3.698 544 HG21 VAL 71 3HG2 VAL 71 0.612 7.348 -1.789 545 HG22 VAL 71 1HG2 VAL 71 0.845 6.104 -3.016 546 HG23 VAL 71 2HG2 VAL 71 1.201 5.752 -1.325 547 HA PRO 72 HA PRO 72 -2.968 9.252 1.290 548 HB2 PRO 72 2HB PRO 72 -3.698 7.638 3.293 549 HB3 PRO 72 1HB PRO 72 -4.772 7.934 1.922 550 HG2 PRO 72 2HG PRO 72 -2.948 5.606 2.417 551 HG3 PRO 72 1HG PRO 72 -4.644 5.596 1.901 552 HD2 PRO 72 2HD PRO 72 -2.576 5.323 0.165 553 HD3 PRO 72 1HD PRO 72 -4.112 6.089 -0.285 554 H LEU 73 H LEU 73 -0.468 7.122 0.950 555 HA LEU 73 HA LEU 73 0.685 7.665 3.587 556 HB2 LEU 73 2HB LEU 73 2.059 5.916 1.617 557 HB3 LEU 73 1HB LEU 73 1.943 5.765 3.361 558 HG LEU 73 HG LEU 73 -0.396 5.248 1.535 559 HD11 LEU 73 1HD1 LEU 73 1.799 3.415 2.405 560 HD12 LEU 73 2HD1 LEU 73 1.096 3.632 0.803 561 HD13 LEU 73 3HD1 LEU 73 0.180 2.807 2.063 562 HD21 LEU 73 3HD2 LEU 73 0.144 4.305 4.342 563 HD22 LEU 73 1HD2 LEU 73 -1.351 4.143 3.422 564 HD23 LEU 73 2HD2 LEU 73 -0.807 5.737 3.947 565 H GLN 74 H GLN 74 2.784 8.521 3.808 566 HA GLN 74 HA GLN 74 3.896 9.809 1.413 567 HB2 GLN 74 2HB GLN 74 3.529 11.131 4.106 568 HB3 GLN 74 1HB GLN 74 4.336 11.846 2.719 569 HG2 GLN 74 2HG GLN 74 1.446 11.009 2.771 570 HG3 GLN 74 1HG GLN 74 2.025 12.651 3.054 571 HE21 GLN 74 1HE2 GLN 74 0.468 11.043 0.872 572 HE22 GLN 74 2HE2 GLN 74 1.131 11.673 -0.594 573 H HIS 75 H HIS 75 6.089 10.927 2.176 574 HA HIS 75 HA HIS 75 7.910 8.879 2.642 575 HB2 HIS 75 2HB HIS 75 8.319 11.193 1.627 576 HB3 HIS 75 1HB HIS 75 8.470 11.770 3.283 577 HD1 HIS 75 1HD HIS 75 9.915 8.713 3.756 578 HD2 HIS 75 2HD HIS 75 11.127 12.011 1.539 579 HE1 HIS 75 1HE HIS 75 12.403 8.465 3.489 580 HE2 HIS 75 2HE HIS 75 13.126 10.519 2.220 581 H GLY 76 H GLY 76 7.984 7.681 4.436 582 HA2 GLY 76 2HA GLY 76 8.925 7.576 6.669 583 HA3 GLY 76 1HA GLY 76 8.139 9.108 7.014 584 H ASP 77 H ASP 77 6.001 7.252 5.260 585 HA ASP 77 HA ASP 77 4.456 6.693 7.643 586 HB2 ASP 77 2HB ASP 77 3.849 7.287 4.953 587 HB3 ASP 77 1HB ASP 77 3.256 5.655 5.238 588 H ARG 78 H ARG 78 3.093 4.494 7.281 589 HA ARG 78 HA ARG 78 4.851 2.289 6.557 590 HB2 ARG 78 2HB ARG 78 4.359 1.161 8.765 591 HB3 ARG 78 1HB ARG 78 5.474 2.518 8.842 592 HG2 ARG 78 2HG ARG 78 2.938 3.619 9.241 593 HG3 ARG 78 1HG ARG 78 2.965 2.130 10.188 594 HD2 ARG 78 2HD ARG 78 5.219 2.930 11.070 595 HD3 ARG 78 1HD ARG 78 4.813 4.495 10.366 596 HE ARG 78 HE ARG 78 2.679 3.640 11.975 597 HH11 ARG 78 1HH1 ARG 78 5.977 4.741 12.276 598 HH12 ARG 78 2HH1 ARG 78 5.740 5.415 13.854 599 HH21 ARG 78 1HH2 ARG 78 2.366 4.523 14.052 600 HH22 ARG 78 2HH2 ARG 78 3.691 5.290 14.862 601 H ILE 79 H ILE 79 3.757 0.342 6.162 602 HA ILE 79 HA ILE 79 0.853 0.371 6.434 603 HB ILE 79 HB ILE 79 0.806 -0.531 3.989 604 HG12 ILE 79 2HG1 ILE 79 3.197 1.310 3.845 605 HG13 ILE 79 1HG1 ILE 79 3.303 -0.446 3.764 606 HG21 ILE 79 1HG2 ILE 79 0.029 1.744 5.154 607 HG22 ILE 79 2HG2 ILE 79 -0.169 1.423 3.432 608 HG23 ILE 79 3HG2 ILE 79 1.194 2.389 3.999 609 HD11 ILE 79 3HD1 ILE 79 3.154 1.153 1.614 610 HD12 ILE 79 1HD1 ILE 79 1.443 0.803 1.861 611 HD13 ILE 79 2HD1 ILE 79 2.589 -0.518 1.638 612 H THR 80 H THR 80 -0.130 -1.705 5.819 613 HA THR 80 HA THR 80 1.721 -3.968 6.118 614 HB THR 80 HB THR 80 -0.933 -3.635 7.524 615 HG1 THR 80 1HG THR 80 0.817 -2.454 8.447 616 HG21 THR 80 3HG2 THR 80 -0.555 -5.705 8.606 617 HG22 THR 80 1HG2 THR 80 1.053 -5.857 7.895 618 HG23 THR 80 2HG2 THR 80 -0.379 -5.987 6.874 619 H ILE 81 H ILE 81 1.419 -5.543 4.682 620 HA ILE 81 HA ILE 81 -0.915 -5.367 2.921 621 HB ILE 81 HB ILE 81 1.576 -7.001 2.470 622 HG12 ILE 81 2HG1 ILE 81 2.244 -4.682 2.664 623 HG13 ILE 81 1HG1 ILE 81 2.292 -5.152 0.968 624 HG21 ILE 81 1HG2 ILE 81 0.736 -6.581 0.039 625 HG22 ILE 81 2HG2 ILE 81 -0.809 -6.268 0.830 626 HG23 ILE 81 3HG2 ILE 81 -0.018 -7.832 1.027 627 HD11 ILE 81 3HD1 ILE 81 0.267 -3.435 2.361 628 HD12 ILE 81 1HD1 ILE 81 0.002 -4.112 0.755 629 HD13 ILE 81 2HD1 ILE 81 1.345 -3.003 1.034 630 H GLU 82 H GLU 82 -2.032 -7.287 2.288 631 HA GLU 82 HA GLU 82 -1.653 -9.599 4.052 632 HB2 GLU 82 2HB GLU 82 -3.431 -8.644 5.185 633 HB3 GLU 82 1HB GLU 82 -4.128 -7.954 3.729 634 HG2 GLU 82 2HG GLU 82 -4.955 -10.101 3.041 635 HG3 GLU 82 1HG GLU 82 -4.119 -10.892 4.375 636 H ILE 83 H ILE 83 -1.320 -11.310 2.828 637 HA ILE 83 HA ILE 83 -1.806 -11.386 0.056 638 HB ILE 83 HB ILE 83 -1.275 -13.682 1.947 639 HG12 ILE 83 2HG1 ILE 83 0.956 -13.202 0.332 640 HG13 ILE 83 1HG1 ILE 83 0.405 -11.600 0.810 641 HG21 ILE 83 1HG2 ILE 83 -1.679 -13.536 -0.979 642 HG22 ILE 83 2HG2 ILE 83 -2.001 -14.854 0.148 643 HG23 ILE 83 3HG2 ILE 83 -0.355 -14.553 -0.410 644 HD11 ILE 83 3HD1 ILE 83 1.932 -13.448 2.291 645 HD12 ILE 83 1HD1 ILE 83 0.374 -13.286 3.097 646 HD13 ILE 83 2HD1 ILE 83 1.359 -11.856 2.784 647 H LEU 84 H LEU 84 -3.765 -11.354 -0.787 648 HA LEU 84 HA LEU 84 -6.061 -12.409 0.550 649 HB2 LEU 84 2HB LEU 84 -5.919 -11.612 -2.344 650 HB3 LEU 84 1HB LEU 84 -7.312 -11.579 -1.278 651 HG LEU 84 HG LEU 84 -4.925 -9.737 -1.179 652 HD11 LEU 84 1HD1 LEU 84 -6.972 -8.101 -1.439 653 HD12 LEU 84 2HD1 LEU 84 -7.709 -9.519 -2.187 654 HD13 LEU 84 3HD1 LEU 84 -6.211 -8.856 -2.840 655 HD21 LEU 84 3HD2 LEU 84 -5.472 -9.081 0.881 656 HD22 LEU 84 1HD2 LEU 84 -6.426 -10.560 0.988 657 HD23 LEU 84 2HD2 LEU 84 -7.194 -9.049 0.502 658 H LYS 85 H LYS 85 -7.608 -13.832 -0.824 659 HA LYS 85 HA LYS 85 -6.108 -16.239 -1.508 660 HB2 LYS 85 2HB LYS 85 -7.894 -16.467 0.142 661 HB3 LYS 85 1HB LYS 85 -9.060 -15.818 -1.003 662 HG2 LYS 85 2HG LYS 85 -9.458 -17.856 -1.758 663 HG3 LYS 85 1HG LYS 85 -7.768 -18.014 -2.243 664 HD2 LYS 85 2HD LYS 85 -8.887 -18.641 0.490 665 HD3 LYS 85 1HD LYS 85 -8.449 -19.827 -0.742 666 HE2 LYS 85 2HE LYS 85 -6.203 -18.182 -0.439 667 HE3 LYS 85 1HE LYS 85 -6.784 -18.496 1.195 668 HZ1 LYS 85 3HZ LYS 85 -5.739 -20.371 -0.798 669 HZ2 LYS 85 1HZ LYS 85 -6.911 -20.932 0.285 670 HZ3 LYS 85 2HZ LYS 85 -5.454 -20.299 0.867 671 H GLY 86 H GLY 86 -5.428 -16.004 -3.574 672 HA2 GLY 86 2HA GLY 86 -7.235 -15.063 -5.639 673 HA3 GLY 86 1HA GLY 86 -5.555 -15.526 -5.855 Start of MODEL 13 1 H1 LYS 6 H LYS 6 11.974 13.636 -7.770 2 HA LYS 6 HA LYS 6 13.033 12.536 -5.271 3 HB2 LYS 6 2HB LYS 6 12.625 15.149 -6.130 4 HB3 LYS 6 1HB LYS 6 11.309 14.865 -5.001 5 HG2 LYS 6 2HG LYS 6 14.174 14.268 -4.328 6 HG3 LYS 6 1HG LYS 6 13.431 15.843 -4.044 7 HD2 LYS 6 2HD LYS 6 12.395 15.114 -2.206 8 HD3 LYS 6 1HD LYS 6 11.778 13.685 -3.040 9 HE2 LYS 6 2HE LYS 6 14.647 13.586 -2.462 10 HE3 LYS 6 1HE LYS 6 13.629 13.673 -1.024 11 HZ1 LYS 6 3HZ LYS 6 13.867 11.548 -3.007 12 HZ2 LYS 6 1HZ LYS 6 12.326 11.820 -2.365 13 HZ3 LYS 6 2HZ LYS 6 13.617 11.446 -1.338 14 H GLU 7 H GLU 7 11.791 10.706 -4.990 15 HA GLU 7 HA GLU 7 8.883 11.086 -4.800 16 HB2 GLU 7 2HB GLU 7 8.926 8.507 -4.743 17 HB3 GLU 7 1HB GLU 7 9.251 9.312 -6.271 18 HG2 GLU 7 2HG GLU 7 11.532 8.590 -4.500 19 HG3 GLU 7 1HG GLU 7 10.741 7.331 -5.449 20 H LYS 8 H LYS 8 8.018 9.240 -3.138 21 HA LYS 8 HA LYS 8 9.328 9.907 -0.597 22 HB2 LYS 8 2HB LYS 8 7.190 9.533 0.469 23 HB3 LYS 8 1HB LYS 8 6.988 10.663 -0.860 24 HG2 LYS 8 2HG LYS 8 6.534 8.103 -1.921 25 HG3 LYS 8 1HG LYS 8 5.680 8.164 -0.380 26 HD2 LYS 8 2HD LYS 8 4.799 10.439 -1.196 27 HD3 LYS 8 1HD LYS 8 5.338 9.914 -2.793 28 HE2 LYS 8 2HE LYS 8 3.987 7.749 -2.193 29 HE3 LYS 8 1HE LYS 8 3.164 8.824 -1.064 30 HZ1 LYS 8 3HZ LYS 8 3.102 10.294 -3.277 31 HZ2 LYS 8 1HZ LYS 8 1.875 9.212 -2.848 32 HZ3 LYS 8 2HZ LYS 8 3.059 8.750 -3.964 33 H LYS 9 H LYS 9 9.485 8.305 1.042 34 HA LYS 9 HA LYS 9 9.547 5.549 -0.002 35 HB2 LYS 9 2HB LYS 9 11.797 6.354 0.419 36 HB3 LYS 9 1HB LYS 9 11.347 6.874 2.036 37 HG2 LYS 9 2HG LYS 9 10.791 4.062 1.602 38 HG3 LYS 9 1HG LYS 9 12.490 4.460 1.340 39 HD2 LYS 9 2HD LYS 9 11.174 5.597 3.744 40 HD3 LYS 9 1HD LYS 9 11.515 3.865 3.747 41 HE2 LYS 9 2HE LYS 9 13.879 4.565 2.981 42 HE3 LYS 9 1HE LYS 9 13.424 6.167 3.559 43 HZ1 LYS 9 3HZ LYS 9 14.555 4.343 5.104 44 HZ2 LYS 9 1HZ LYS 9 12.932 3.948 5.376 45 HZ3 LYS 9 2HZ LYS 9 13.488 5.512 5.702 46 H ILE 10 H ILE 10 8.443 4.026 1.091 47 HA ILE 10 HA ILE 10 7.450 4.695 3.777 48 HB ILE 10 HB ILE 10 5.562 3.093 2.220 49 HG12 ILE 10 2HG1 ILE 10 6.405 4.655 0.450 50 HG13 ILE 10 1HG1 ILE 10 4.697 4.860 0.825 51 HG21 ILE 10 1HG2 ILE 10 5.556 5.293 4.199 52 HG22 ILE 10 2HG2 ILE 10 4.643 3.784 4.174 53 HG23 ILE 10 3HG2 ILE 10 4.139 5.136 3.160 54 HD11 ILE 10 3HD1 ILE 10 5.002 6.983 1.367 55 HD12 ILE 10 1HD1 ILE 10 6.643 6.832 0.739 56 HD13 ILE 10 2HD1 ILE 10 6.330 6.582 2.456 57 H ARG 11 H ARG 11 6.632 2.779 4.969 58 HA ARG 11 HA ARG 11 8.388 0.496 4.448 59 HB2 ARG 11 2HB ARG 11 8.500 1.522 6.676 60 HB3 ARG 11 1HB ARG 11 6.786 1.211 6.911 61 HG2 ARG 11 2HG ARG 11 7.189 -1.185 6.826 62 HG3 ARG 11 1HG ARG 11 8.906 -0.896 6.536 63 HD2 ARG 11 2HD ARG 11 7.382 -0.021 8.987 64 HD3 ARG 11 1HD ARG 11 8.413 -1.447 8.889 65 HE ARG 11 HE ARG 11 9.742 0.997 8.164 66 HH11 ARG 11 1HH1 ARG 11 8.854 -1.104 10.805 67 HH12 ARG 11 2HH1 ARG 11 10.128 -0.548 11.839 68 HH21 ARG 11 1HH2 ARG 11 11.418 1.727 9.523 69 HH22 ARG 11 2HH2 ARG 11 11.583 1.059 11.112 70 H ILE 12 H ILE 12 7.582 -1.676 4.634 71 HA ILE 12 HA ILE 12 4.682 -1.971 4.304 72 HB ILE 12 HB ILE 12 6.712 -3.275 2.486 73 HG12 ILE 12 2HG1 ILE 12 4.567 -1.384 1.578 74 HG13 ILE 12 1HG1 ILE 12 6.087 -0.748 2.196 75 HG21 ILE 12 1HG2 ILE 12 4.801 -4.703 2.982 76 HG22 ILE 12 2HG2 ILE 12 4.766 -4.159 1.306 77 HG23 ILE 12 3HG2 ILE 12 3.703 -3.412 2.496 78 HD11 ILE 12 3HD1 ILE 12 6.241 -0.861 -0.173 79 HD12 ILE 12 1HD1 ILE 12 5.691 -2.537 -0.187 80 HD13 ILE 12 2HD1 ILE 12 7.269 -2.132 0.491 81 H THR 13 H THR 13 3.844 -3.958 4.958 82 HA THR 13 HA THR 13 5.652 -6.016 5.904 83 HB THR 13 HB THR 13 3.647 -5.085 7.903 84 HG1 THR 13 1HG THR 13 6.223 -3.941 7.580 85 HG21 THR 13 3HG2 THR 13 4.626 -6.769 8.959 86 HG22 THR 13 1HG2 THR 13 5.992 -5.672 9.174 87 HG23 THR 13 2HG2 THR 13 5.977 -6.810 7.827 88 H THR 14 H THR 14 4.834 -7.822 5.072 89 HA THR 14 HA THR 14 2.004 -8.013 4.516 90 HB THR 14 HB THR 14 2.486 -9.733 3.104 91 HG1 THR 14 1HG THR 14 3.371 -11.399 3.974 92 HG21 THR 14 3HG2 THR 14 5.282 -8.678 3.332 93 HG22 THR 14 1HG2 THR 14 3.975 -7.809 2.528 94 HG23 THR 14 2HG2 THR 14 4.493 -9.382 1.919 95 H ASN 15 H ASN 15 0.574 -9.373 5.375 96 HA ASN 15 HA ASN 15 0.638 -9.958 8.062 97 HB2 ASN 15 2HB ASN 15 -1.477 -10.762 7.762 98 HB3 ASN 15 1HB ASN 15 -1.285 -9.977 6.206 99 HD21 ASN 15 1HD2 ASN 15 -0.327 -11.419 4.493 100 HD22 ASN 15 2HD2 ASN 15 -0.946 -13.030 4.415 101 H ASP 16 H ASP 16 1.948 -11.815 5.434 102 HA ASP 16 HA ASP 16 2.015 -14.340 6.661 103 HB2 ASP 16 2HB ASP 16 2.878 -13.276 4.241 104 HB3 ASP 16 1HB ASP 16 4.363 -13.819 5.019 105 H GLY 17 H GLY 17 3.770 -11.467 7.308 106 HA2 GLY 17 2HA GLY 17 4.875 -11.340 9.467 107 HA3 GLY 17 1HA GLY 17 5.463 -12.973 9.196 108 H ARG 18 H ARG 18 5.484 -10.531 6.672 109 HA ARG 18 HA ARG 18 8.393 -10.246 7.060 110 HB2 ARG 18 2HB ARG 18 8.888 -10.661 4.811 111 HB3 ARG 18 1HB ARG 18 7.717 -11.902 5.227 112 HG2 ARG 18 2HG ARG 18 5.953 -10.460 4.210 113 HG3 ARG 18 1HG ARG 18 7.236 -9.393 3.646 114 HD2 ARG 18 2HD ARG 18 6.571 -10.953 1.897 115 HD3 ARG 18 1HD ARG 18 8.232 -11.240 2.406 116 HE ARG 18 HE ARG 18 7.587 -13.266 3.336 117 HH11 ARG 18 1HH1 ARG 18 4.792 -11.515 2.184 118 HH12 ARG 18 2HH1 ARG 18 3.765 -12.908 2.193 119 HH21 ARG 18 1HH2 ARG 18 6.237 -15.094 3.346 120 HH22 ARG 18 2HH2 ARG 18 4.588 -14.940 2.842 121 H GLN 19 H GLN 19 9.337 -8.326 6.093 122 HA GLN 19 HA GLN 19 7.430 -6.229 5.375 123 HB2 GLN 19 2HB GLN 19 8.891 -4.695 6.922 124 HB3 GLN 19 1HB GLN 19 7.557 -5.620 7.587 125 HG2 GLN 19 2HG GLN 19 9.255 -5.973 9.110 126 HG3 GLN 19 1HG GLN 19 9.330 -7.413 8.096 127 HE21 GLN 19 1HE2 GLN 19 10.719 -4.183 8.469 128 HE22 GLN 19 2HE2 GLN 19 12.296 -4.602 7.902 129 H SER 20 H SER 20 8.419 -4.320 4.464 130 HA SER 20 HA SER 20 11.174 -4.326 3.703 131 HB2 SER 20 2HB SER 20 9.593 -5.876 2.077 132 HB3 SER 20 1HB SER 20 9.548 -4.318 1.251 133 HG SER 20 HG SER 20 11.647 -4.447 0.851 134 H MET 21 H MET 21 11.388 -2.538 1.816 135 HA MET 21 HA MET 21 9.513 -0.359 2.426 136 HB2 MET 21 2HB MET 21 11.240 1.214 2.805 137 HB3 MET 21 1HB MET 21 11.655 -0.194 3.771 138 HG2 MET 21 2HG MET 21 12.804 0.291 1.040 139 HG3 MET 21 1HG MET 21 13.537 0.921 2.513 140 HE1 MET 21 3HE MET 21 14.652 -2.482 0.407 141 HE2 MET 21 1HE MET 21 13.321 -1.392 0.018 142 HE3 MET 21 2HE MET 21 12.987 -2.978 0.713 143 H VAL 22 H VAL 22 9.312 1.250 0.860 144 HA VAL 22 HA VAL 22 10.452 0.599 -1.768 145 HB VAL 22 HB VAL 22 8.240 1.295 -2.749 146 HG11 VAL 22 1HG1 VAL 22 8.917 -1.023 -2.721 147 HG12 VAL 22 2HG1 VAL 22 7.191 -0.904 -2.383 148 HG13 VAL 22 3HG1 VAL 22 8.328 -1.201 -1.069 149 HG21 VAL 22 3HG2 VAL 22 7.159 2.413 -0.999 150 HG22 VAL 22 1HG2 VAL 22 7.456 1.096 0.135 151 HG23 VAL 22 2HG2 VAL 22 6.284 0.890 -1.168 152 H THR 23 H THR 23 9.968 2.440 -3.354 153 HA THR 23 HA THR 23 10.462 5.001 -1.986 154 HB THR 23 HB THR 23 12.303 3.950 -3.443 155 HG1 THR 23 1HG THR 23 11.330 6.576 -3.712 156 HG21 THR 23 3HG2 THR 23 11.265 5.232 -5.829 157 HG22 THR 23 1HG2 THR 23 10.337 3.809 -5.359 158 HG23 THR 23 2HG2 THR 23 12.073 3.676 -5.635 159 H LEU 24 H LEU 24 7.860 3.940 -2.542 160 HA LEU 24 HA LEU 24 6.336 4.398 -4.576 161 HB2 LEU 24 2HB LEU 24 5.926 4.671 -1.856 162 HB3 LEU 24 1HB LEU 24 5.349 6.194 -2.507 163 HG LEU 24 HG LEU 24 3.854 4.953 -4.031 164 HD11 LEU 24 1HD1 LEU 24 3.694 2.673 -4.114 165 HD12 LEU 24 2HD1 LEU 24 4.329 2.458 -2.482 166 HD13 LEU 24 3HD1 LEU 24 5.421 2.854 -3.807 167 HD21 LEU 24 3HD2 LEU 24 3.240 5.712 -1.672 168 HD22 LEU 24 1HD2 LEU 24 3.385 4.013 -1.221 169 HD23 LEU 24 2HD2 LEU 24 2.203 4.505 -2.434 170 H LYS 25 H LYS 25 6.057 5.774 -6.200 171 HA LYS 25 HA LYS 25 7.547 8.122 -6.477 172 HB2 LYS 25 2HB LYS 25 5.310 6.856 -7.970 173 HB3 LYS 25 1HB LYS 25 5.637 8.553 -8.296 174 HG2 LYS 25 2HG LYS 25 6.812 7.146 -9.872 175 HG3 LYS 25 1HG LYS 25 7.961 7.992 -8.836 176 HD2 LYS 25 2HD LYS 25 7.037 5.275 -8.038 177 HD3 LYS 25 1HD LYS 25 8.219 5.424 -9.339 178 HE2 LYS 25 2HE LYS 25 9.039 7.147 -7.250 179 HE3 LYS 25 1HE LYS 25 8.620 5.597 -6.522 180 HZ1 LYS 25 3HZ LYS 25 10.996 6.112 -7.575 181 HZ2 LYS 25 1HZ LYS 25 10.224 5.484 -8.945 182 HZ3 LYS 25 2HZ LYS 25 10.328 4.558 -7.534 183 H SER 26 H SER 26 6.653 10.313 -6.868 184 HA SER 26 HA SER 26 5.355 11.246 -4.561 185 HB2 SER 26 2HB SER 26 6.868 12.423 -6.465 186 HB3 SER 26 1HB SER 26 5.269 12.979 -6.962 187 HG SER 26 HG SER 26 5.038 13.578 -4.645 188 H SER 27 H SER 27 4.122 10.163 -7.617 189 HA SER 27 HA SER 27 1.412 10.914 -6.737 190 HB2 SER 27 2HB SER 27 2.167 10.673 -9.642 191 HB3 SER 27 1HB SER 27 0.766 11.474 -8.931 192 HG SER 27 HG SER 27 2.558 12.857 -9.674 193 H THR 28 H THR 28 2.348 8.537 -5.908 194 HA THR 28 HA THR 28 1.542 6.488 -7.815 195 HB THR 28 HB THR 28 2.861 6.436 -5.115 196 HG1 THR 28 1HG THR 28 3.566 5.335 -7.628 197 HG21 THR 28 3HG2 THR 28 1.240 4.303 -6.261 198 HG22 THR 28 1HG2 THR 28 1.888 4.493 -4.632 199 HG23 THR 28 2HG2 THR 28 2.900 3.826 -5.912 200 H THR 29 H THR 29 -0.557 6.067 -7.989 201 HA THR 29 HA THR 29 -2.373 6.546 -5.788 202 HB THR 29 HB THR 29 -3.215 7.134 -7.937 203 HG1 THR 29 1HG THR 29 -4.453 4.641 -7.521 204 HG21 THR 29 3HG2 THR 29 -3.522 4.766 -9.374 205 HG22 THR 29 1HG2 THR 29 -1.839 4.793 -8.847 206 HG23 THR 29 2HG2 THR 29 -2.496 6.143 -9.772 207 H PHE 30 H PHE 30 -4.130 4.687 -5.533 208 HA PHE 30 HA PHE 30 -3.015 2.628 -4.109 209 HB2 PHE 30 2HB PHE 30 -5.412 3.201 -4.048 210 HB3 PHE 30 1HB PHE 30 -5.615 2.503 -5.652 211 HD1 PHE 30 2HD PHE 30 -4.373 1.592 -2.258 212 HD2 PHE 30 1HD PHE 30 -6.299 0.314 -5.830 213 HE1 PHE 30 2HE PHE 30 -4.788 -0.609 -1.241 214 HE2 PHE 30 1HE PHE 30 -6.717 -1.891 -4.821 215 HZ PHE 30 HZ PHE 30 -5.961 -2.355 -2.524 216 H PHE 31 H PHE 31 -3.866 2.629 -7.547 217 HA PHE 31 HA PHE 31 -3.229 -0.078 -8.035 218 HB2 PHE 31 2HB PHE 31 -3.088 2.211 -10.005 219 HB3 PHE 31 1HB PHE 31 -3.279 0.502 -10.383 220 HD1 PHE 31 2HD PHE 31 -5.369 -0.578 -9.018 221 HD2 PHE 31 1HD PHE 31 -4.971 3.486 -10.219 222 HE1 PHE 31 2HE PHE 31 -7.815 -0.322 -8.946 223 HE2 PHE 31 1HE PHE 31 -7.417 3.749 -10.148 224 HZ PHE 31 HZ PHE 31 -8.842 1.845 -9.511 225 H GLU 32 H GLU 32 -1.348 2.910 -8.359 226 HA GLU 32 HA GLU 32 0.991 1.701 -9.376 227 HB2 GLU 32 2HB GLU 32 0.380 4.318 -8.053 228 HB3 GLU 32 1HB GLU 32 2.054 3.854 -8.320 229 HG2 GLU 32 2HG GLU 32 0.654 3.401 -10.734 230 HG3 GLU 32 1HG GLU 32 0.203 5.000 -10.145 231 H LEU 33 H LEU 33 -0.247 2.167 -6.143 232 HA LEU 33 HA LEU 33 2.179 1.565 -4.775 233 HB2 LEU 33 2HB LEU 33 0.497 2.784 -3.601 234 HB3 LEU 33 1HB LEU 33 -0.713 1.558 -3.927 235 HG LEU 33 HG LEU 33 0.340 0.022 -2.397 236 HD11 LEU 33 1HD1 LEU 33 2.334 0.566 -1.151 237 HD12 LEU 33 2HD1 LEU 33 2.440 2.134 -1.951 238 HD13 LEU 33 3HD1 LEU 33 2.671 0.653 -2.880 239 HD21 LEU 33 3HD2 LEU 33 0.111 2.779 -1.198 240 HD22 LEU 33 1HD2 LEU 33 0.092 1.262 -0.298 241 HD23 LEU 33 2HD2 LEU 33 -1.206 1.630 -1.434 242 H GLN 34 H GLN 34 -0.639 -0.325 -5.770 243 HA GLN 34 HA GLN 34 0.044 -2.739 -4.518 244 HB2 GLN 34 2HB GLN 34 -1.456 -2.327 -7.112 245 HB3 GLN 34 1HB GLN 34 -1.456 -3.801 -6.153 246 HG2 GLN 34 2HG GLN 34 -2.230 -1.403 -4.669 247 HG3 GLN 34 1HG GLN 34 -3.313 -1.821 -5.996 248 HE21 GLN 34 1HE2 GLN 34 -1.417 -3.978 -3.952 249 HE22 GLN 34 2HE2 GLN 34 -2.767 -4.806 -3.261 250 H GLU 35 H GLU 35 1.181 -1.244 -7.452 251 HA GLU 35 HA GLU 35 2.457 -3.607 -8.472 252 HB2 GLU 35 2HB GLU 35 1.678 -1.836 -9.980 253 HB3 GLU 35 1HB GLU 35 2.799 -0.703 -9.238 254 HG2 GLU 35 2HG GLU 35 4.342 -1.296 -10.699 255 HG3 GLU 35 1HG GLU 35 4.313 -2.935 -10.048 256 H SER 36 H SER 36 3.317 -1.000 -6.345 257 HA SER 36 HA SER 36 6.143 -1.313 -6.544 258 HB2 SER 36 2HB SER 36 4.280 0.144 -4.717 259 HB3 SER 36 1HB SER 36 5.943 -0.112 -4.189 260 HG SER 36 HG SER 36 5.294 0.985 -6.715 261 H ILE 37 H ILE 37 3.745 -2.348 -4.126 262 HA ILE 37 HA ILE 37 5.501 -3.711 -2.433 263 HB ILE 37 HB ILE 37 2.625 -4.456 -2.979 264 HG12 ILE 37 2HG1 ILE 37 3.189 -2.818 -0.620 265 HG13 ILE 37 1HG1 ILE 37 3.543 -1.991 -2.133 266 HG21 ILE 37 1HG2 ILE 37 2.687 -5.777 -1.155 267 HG22 ILE 37 2HG2 ILE 37 3.794 -4.713 -0.289 268 HG23 ILE 37 3HG2 ILE 37 4.414 -5.829 -1.504 269 HD11 ILE 37 3HD1 ILE 37 1.260 -2.491 -2.902 270 HD12 ILE 37 1HD1 ILE 37 1.295 -1.508 -1.439 271 HD13 ILE 37 2HD1 ILE 37 0.921 -3.228 -1.335 272 H ALA 38 H ALA 38 3.803 -4.762 -5.336 273 HA ALA 38 HA ALA 38 4.326 -7.501 -5.186 274 HB1 ALA 38 1HB ALA 38 2.774 -6.893 -6.800 275 HB2 ALA 38 2HB ALA 38 4.188 -7.325 -7.761 276 HB3 ALA 38 3HB ALA 38 3.809 -5.628 -7.464 277 H ARG 39 H ARG 39 6.458 -4.877 -5.756 278 HA ARG 39 HA ARG 39 8.467 -6.534 -7.061 279 HB2 ARG 39 2HB ARG 39 8.990 -3.733 -6.149 280 HB3 ARG 39 1HB ARG 39 9.619 -4.582 -7.554 281 HG2 ARG 39 2HG ARG 39 7.083 -4.516 -8.287 282 HG3 ARG 39 1HG ARG 39 7.059 -3.126 -7.201 283 HD2 ARG 39 2HD ARG 39 8.335 -1.867 -8.570 284 HD3 ARG 39 1HD ARG 39 9.326 -3.235 -9.074 285 HE ARG 39 HE ARG 39 6.853 -3.625 -10.225 286 HH11 ARG 39 1HH1 ARG 39 9.345 -1.184 -10.341 287 HH12 ARG 39 2HH1 ARG 39 8.981 -0.711 -11.966 288 HH21 ARG 39 1HH2 ARG 39 6.372 -3.004 -12.364 289 HH22 ARG 39 2HH2 ARG 39 7.294 -1.745 -13.116 290 H GLU 40 H GLU 40 8.076 -4.655 -4.079 291 HA GLU 40 HA GLU 40 10.549 -5.385 -2.932 292 HB2 GLU 40 2HB GLU 40 8.203 -3.882 -2.168 293 HB3 GLU 40 1HB GLU 40 8.764 -4.872 -0.828 294 HG2 GLU 40 2HG GLU 40 9.717 -2.605 -0.838 295 HG3 GLU 40 1HG GLU 40 10.938 -3.874 -0.920 296 H PHE 41 H PHE 41 7.404 -6.909 -2.969 297 HA PHE 41 HA PHE 41 8.507 -9.102 -1.340 298 HB2 PHE 41 2HB PHE 41 5.607 -8.268 -1.533 299 HB3 PHE 41 1HB PHE 41 6.262 -9.546 -0.514 300 HD1 PHE 41 2HD PHE 41 6.546 -5.889 -1.137 301 HD2 PHE 41 1HD PHE 41 6.881 -9.073 1.662 302 HE1 PHE 41 2HE PHE 41 6.916 -4.259 0.669 303 HE2 PHE 41 1HE PHE 41 7.250 -7.450 3.473 304 HZ PHE 41 HZ PHE 41 7.270 -5.041 2.978 305 H ASN 42 H ASN 42 6.725 -11.064 -1.730 306 HA ASN 42 HA ASN 42 6.893 -11.545 -4.629 307 HB2 ASN 42 2HB ASN 42 7.003 -13.467 -2.300 308 HB3 ASN 42 1HB ASN 42 6.860 -13.984 -3.977 309 HD21 ASN 42 1HD2 ASN 42 8.877 -12.127 -1.762 310 HD22 ASN 42 2HD2 ASN 42 10.368 -12.427 -2.583 311 H ILE 43 H ILE 43 4.705 -10.134 -3.880 312 HA ILE 43 HA ILE 43 2.568 -12.116 -4.207 313 HB ILE 43 HB ILE 43 2.311 -9.660 -2.471 314 HG12 ILE 43 2HG1 ILE 43 1.912 -11.881 -0.875 315 HG13 ILE 43 1HG1 ILE 43 3.259 -12.368 -1.898 316 HG21 ILE 43 1HG2 ILE 43 0.415 -11.982 -2.693 317 HG22 ILE 43 2HG2 ILE 43 0.275 -10.541 -3.699 318 HG23 ILE 43 3HG2 ILE 43 0.137 -10.410 -1.945 319 HD11 ILE 43 3HD1 ILE 43 4.351 -11.411 -0.138 320 HD12 ILE 43 1HD1 ILE 43 3.100 -10.195 0.121 321 HD13 ILE 43 2HD1 ILE 43 4.217 -10.036 -1.234 322 HA PRO 44 HA PRO 44 1.595 -9.511 -7.663 323 HB2 PRO 44 2HB PRO 44 -0.841 -10.538 -8.259 324 HB3 PRO 44 1HB PRO 44 0.668 -11.382 -8.620 325 HG2 PRO 44 2HG PRO 44 -1.230 -11.784 -6.342 326 HG3 PRO 44 1HG PRO 44 -0.385 -12.996 -7.323 327 HD2 PRO 44 2HD PRO 44 0.455 -12.254 -4.846 328 HD3 PRO 44 1HD PRO 44 1.567 -12.792 -6.118 329 HA PRO 45 HA PRO 45 -0.941 -6.169 -6.321 330 HB2 PRO 45 2HB PRO 45 -2.301 -5.490 -8.591 331 HB3 PRO 45 1HB PRO 45 -0.600 -5.099 -8.313 332 HG2 PRO 45 2HG PRO 45 -1.793 -7.347 -9.889 333 HG3 PRO 45 1HG PRO 45 -0.418 -6.302 -10.293 334 HD2 PRO 45 2HD PRO 45 -0.076 -8.795 -9.339 335 HD3 PRO 45 1HD PRO 45 1.035 -7.472 -8.924 336 H TYR 46 H TYR 46 -2.518 -8.885 -7.859 337 HA TYR 46 HA TYR 46 -5.137 -8.032 -6.911 338 HB2 TYR 46 2HB TYR 46 -6.037 -9.892 -8.144 339 HB3 TYR 46 1HB TYR 46 -4.879 -9.052 -9.168 340 HD1 TYR 46 2HD TYR 46 -2.653 -10.068 -9.600 341 HD2 TYR 46 1HD TYR 46 -5.704 -12.162 -7.502 342 HE1 TYR 46 2HE TYR 46 -1.464 -12.184 -9.995 343 HE2 TYR 46 1HE TYR 46 -4.525 -14.284 -7.892 344 HH TYR 46 HH TYR 46 -2.880 -15.207 -9.511 345 H LEU 47 H LEU 47 -2.685 -9.185 -5.291 346 HA LEU 47 HA LEU 47 -4.389 -10.787 -3.523 347 HB2 LEU 47 2HB LEU 47 -1.610 -11.566 -4.404 348 HB3 LEU 47 1HB LEU 47 -2.505 -12.351 -3.117 349 HG LEU 47 HG LEU 47 -3.425 -12.249 -5.988 350 HD11 LEU 47 1HD1 LEU 47 -2.321 -14.154 -6.447 351 HD12 LEU 47 2HD1 LEU 47 -2.523 -14.791 -4.816 352 HD13 LEU 47 3HD1 LEU 47 -1.252 -13.615 -5.151 353 HD21 LEU 47 3HD2 LEU 47 -5.208 -13.521 -5.372 354 HD22 LEU 47 1HD2 LEU 47 -4.983 -12.626 -3.870 355 HD23 LEU 47 2HD2 LEU 47 -4.353 -14.266 -4.022 356 H GLN 48 H GLN 48 -2.730 -8.064 -3.761 357 HA GLN 48 HA GLN 48 -1.500 -8.272 -1.099 358 HB2 GLN 48 2HB GLN 48 -0.968 -6.421 -3.415 359 HB3 GLN 48 1HB GLN 48 -0.367 -6.090 -1.795 360 HG2 GLN 48 2HG GLN 48 0.904 -8.141 -1.805 361 HG3 GLN 48 1HG GLN 48 0.238 -8.577 -3.376 362 HE21 GLN 48 1HE2 GLN 48 0.413 -6.254 -4.766 363 HE22 GLN 48 2HE2 GLN 48 2.066 -5.788 -4.948 364 H CYS 49 H CYS 49 -2.795 -7.589 0.458 365 HA CYS 49 HA CYS 49 -4.601 -5.332 -0.076 366 HB2 CYS 49 2HB CYS 49 -5.773 -7.306 0.690 367 HB3 CYS 49 1HB CYS 49 -4.681 -7.475 2.057 368 HG CYS 49 HG CYS 49 -7.108 -6.281 2.545 369 H ILE 50 H ILE 50 -3.541 -3.506 0.384 370 HA ILE 50 HA ILE 50 -1.587 -3.334 2.485 371 HB ILE 50 HB ILE 50 -2.797 -1.063 0.912 372 HG12 ILE 50 2HG1 ILE 50 -0.145 -2.069 0.131 373 HG13 ILE 50 1HG1 ILE 50 -1.466 -3.185 -0.196 374 HG21 ILE 50 1HG2 ILE 50 -0.667 0.060 1.431 375 HG22 ILE 50 2HG2 ILE 50 -0.197 -1.328 2.415 376 HG23 ILE 50 3HG2 ILE 50 -1.588 -0.347 2.881 377 HD11 ILE 50 3HD1 ILE 50 -0.807 -1.573 -2.040 378 HD12 ILE 50 1HD1 ILE 50 -1.565 -0.318 -1.060 379 HD13 ILE 50 2HD1 ILE 50 -2.521 -1.681 -1.642 380 H ARG 51 H ARG 51 -1.671 -2.002 4.317 381 HA ARG 51 HA ARG 51 -4.290 -1.008 5.136 382 HB2 ARG 51 2HB ARG 51 -2.574 -2.728 6.928 383 HB3 ARG 51 1HB ARG 51 -4.165 -2.075 7.294 384 HG2 ARG 51 2HG ARG 51 -4.993 -3.440 5.309 385 HG3 ARG 51 1HG ARG 51 -3.439 -4.271 5.392 386 HD2 ARG 51 2HD ARG 51 -5.073 -3.970 7.866 387 HD3 ARG 51 1HD ARG 51 -5.519 -5.189 6.680 388 HE ARG 51 HE ARG 51 -2.959 -5.083 8.127 389 HH11 ARG 51 1HH1 ARG 51 -5.354 -6.878 6.314 390 HH12 ARG 51 2HH1 ARG 51 -4.594 -8.405 6.598 391 HH21 ARG 51 1HH2 ARG 51 -1.970 -7.093 8.490 392 HH22 ARG 51 2HH2 ARG 51 -2.678 -8.529 7.829 393 H TYR 52 H TYR 52 -4.216 0.620 6.734 394 HA TYR 52 HA TYR 52 -1.642 1.559 7.673 395 HB2 TYR 52 2HB TYR 52 -1.805 3.765 6.682 396 HB3 TYR 52 1HB TYR 52 -1.839 2.549 5.409 397 HD1 TYR 52 2HD TYR 52 -4.157 1.868 4.507 398 HD2 TYR 52 1HD TYR 52 -3.474 5.392 6.789 399 HE1 TYR 52 2HE TYR 52 -6.245 2.831 3.634 400 HE2 TYR 52 1HE TYR 52 -5.560 6.365 5.923 401 HH TYR 52 HH TYR 52 -7.045 6.112 3.989 402 H GLY 53 H GLY 53 -1.868 3.451 9.135 403 HA2 GLY 53 2HA GLY 53 -2.869 4.552 10.884 404 HA3 GLY 53 1HA GLY 53 -4.403 4.307 10.064 405 H PHE 54 H PHE 54 -4.478 4.222 12.719 406 HA PHE 54 HA PHE 54 -4.704 1.351 13.333 407 HB2 PHE 54 2HB PHE 54 -2.887 2.706 14.571 408 HB3 PHE 54 1HB PHE 54 -4.228 3.441 15.442 409 HD1 PHE 54 1HD PHE 54 -2.950 0.065 14.501 410 HD2 PHE 54 2HD PHE 54 -4.896 2.479 17.416 411 HE1 PHE 54 1HE PHE 54 -2.977 -1.841 16.055 412 HE2 PHE 54 2HE PHE 54 -4.925 0.577 18.977 413 HZ PHE 54 HZ PHE 54 -3.965 -1.587 18.297 414 HA PRO 55 HA PRO 55 -5.938 -0.137 14.063 415 HB2 PRO 55 2HB PRO 55 -8.138 -1.326 13.015 416 HB3 PRO 55 1HB PRO 55 -7.937 -1.043 14.748 417 HG2 PRO 55 2HG PRO 55 -9.482 0.549 12.735 418 HG3 PRO 55 1HG PRO 55 -9.950 0.066 14.377 419 HD2 PRO 55 2HD PRO 55 -9.029 2.543 13.799 420 HD3 PRO 55 1HD PRO 55 -8.721 1.752 15.358 421 HA PRO 56 HA PRO 56 -4.499 -0.052 9.897 422 HB2 PRO 56 2HB PRO 56 -5.096 -2.970 9.872 423 HB3 PRO 56 1HB PRO 56 -3.605 -2.122 9.446 424 HG2 PRO 56 2HG PRO 56 -3.828 -3.421 11.765 425 HG3 PRO 56 1HG PRO 56 -2.949 -1.885 11.651 426 HD2 PRO 56 2HD PRO 56 -5.638 -2.448 12.795 427 HD3 PRO 56 1HD PRO 56 -4.429 -1.247 13.284 428 H LYS 57 H LYS 57 -5.511 0.534 8.140 429 HA LYS 57 HA LYS 57 -8.287 -0.208 7.714 430 HB2 LYS 57 2HB LYS 57 -6.550 1.666 6.099 431 HB3 LYS 57 1HB LYS 57 -8.300 1.517 6.008 432 HG2 LYS 57 2HG LYS 57 -7.188 2.146 8.662 433 HG3 LYS 57 1HG LYS 57 -7.041 3.400 7.429 434 HD2 LYS 57 2HD LYS 57 -9.163 3.962 7.776 435 HD3 LYS 57 1HD LYS 57 -9.661 2.353 7.250 436 HE2 LYS 57 2HE LYS 57 -8.952 1.731 9.724 437 HE3 LYS 57 1HE LYS 57 -9.305 3.437 9.995 438 HZ1 LYS 57 3HZ LYS 57 -11.364 2.605 10.321 439 HZ2 LYS 57 1HZ LYS 57 -11.112 1.247 9.343 440 HZ3 LYS 57 2HZ LYS 57 -11.459 2.745 8.638 441 H GLU 58 H GLU 58 -8.839 -0.427 5.240 442 HA GLU 58 HA GLU 58 -7.214 -2.668 4.272 443 HB2 GLU 58 2HB GLU 58 -9.602 -3.109 4.647 444 HB3 GLU 58 1HB GLU 58 -10.017 -1.836 3.508 445 HG2 GLU 58 2HG GLU 58 -9.576 -3.112 1.708 446 HG3 GLU 58 1HG GLU 58 -8.219 -3.928 2.484 447 H LEU 59 H LEU 59 -7.852 0.602 3.614 448 HA LEU 59 HA LEU 59 -7.426 1.989 1.857 449 HB2 LEU 59 2HB LEU 59 -5.158 1.126 2.516 450 HB3 LEU 59 1HB LEU 59 -5.293 -0.040 1.216 451 HG LEU 59 HG LEU 59 -5.205 1.659 -0.450 452 HD11 LEU 59 1HD1 LEU 59 -6.573 3.379 0.302 453 HD12 LEU 59 2HD1 LEU 59 -4.963 4.094 0.346 454 HD13 LEU 59 3HD1 LEU 59 -5.715 3.526 1.835 455 HD21 LEU 59 3HD2 LEU 59 -3.210 1.769 1.735 456 HD22 LEU 59 1HD2 LEU 59 -3.133 3.029 0.503 457 HD23 LEU 59 2HD2 LEU 59 -3.014 1.333 0.038 458 H MET 60 H MET 60 -9.454 1.434 0.842 459 HA MET 60 HA MET 60 -9.615 -0.591 -1.154 460 HB2 MET 60 2HB MET 60 -11.785 0.356 -1.681 461 HB3 MET 60 1HB MET 60 -11.586 0.265 0.063 462 HG2 MET 60 2HG MET 60 -11.111 2.623 0.174 463 HG3 MET 60 1HG MET 60 -11.166 2.748 -1.583 464 HE1 MET 60 3HE MET 60 -13.126 1.146 1.262 465 HE2 MET 60 1HE MET 60 -13.999 0.346 -0.045 466 HE3 MET 60 2HE MET 60 -14.811 1.559 0.945 467 HA PRO 61 HA PRO 61 -7.994 1.550 -4.653 468 HB2 PRO 61 2HB PRO 61 -9.362 0.438 -6.683 469 HB3 PRO 61 1HB PRO 61 -8.195 -0.484 -5.729 470 HG2 PRO 61 2HG PRO 61 -11.180 -0.440 -5.547 471 HG3 PRO 61 1HG PRO 61 -10.070 -1.820 -5.445 472 HD2 PRO 61 2HD PRO 61 -11.192 -0.589 -3.265 473 HD3 PRO 61 1HD PRO 61 -9.653 -1.470 -3.221 474 HA PRO 62 HA PRO 62 -10.645 5.031 -5.414 475 HB2 PRO 62 2HB PRO 62 -9.243 6.160 -7.450 476 HB3 PRO 62 1HB PRO 62 -8.743 6.264 -5.761 477 HG2 PRO 62 2HG PRO 62 -7.772 4.433 -7.918 478 HG3 PRO 62 1HG PRO 62 -6.842 5.300 -6.682 479 HD2 PRO 62 2HD PRO 62 -7.461 2.675 -6.463 480 HD3 PRO 62 1HD PRO 62 -7.318 3.743 -5.052 481 H GLN 63 H GLN 63 -11.323 6.241 -7.641 482 HA GLN 63 HA GLN 63 -12.102 4.246 -9.631 483 HB2 GLN 63 2HB GLN 63 -14.429 4.921 -9.590 484 HB3 GLN 63 1HB GLN 63 -13.948 4.379 -7.988 485 HG2 GLN 63 2HG GLN 63 -13.852 6.603 -7.172 486 HG3 GLN 63 1HG GLN 63 -14.016 7.273 -8.795 487 HE21 GLN 63 1HE2 GLN 63 -16.058 6.701 -9.933 488 HE22 GLN 63 2HE2 GLN 63 -17.511 6.660 -8.999 489 H ALA 64 H ALA 64 -13.719 5.748 -11.223 490 HA ALA 64 HA ALA 64 -11.960 7.258 -12.739 491 HB1 ALA 64 1HB ALA 64 -13.697 7.599 -14.159 492 HB2 ALA 64 2HB ALA 64 -14.821 8.009 -12.863 493 HB3 ALA 64 3HB ALA 64 -14.416 6.322 -13.177 494 H GLY 65 H GLY 65 -10.841 8.904 -11.849 495 HA2 GLY 65 2HA GLY 65 -11.047 11.369 -11.682 496 HA3 GLY 65 1HA GLY 65 -12.416 11.083 -10.618 497 H MET 66 H MET 66 -10.983 8.803 -9.333 498 HA MET 66 HA MET 66 -9.263 10.427 -7.588 499 HB2 MET 66 2HB MET 66 -11.109 8.144 -7.112 500 HB3 MET 66 1HB MET 66 -9.681 8.257 -6.094 501 HG2 MET 66 2HG MET 66 -11.291 10.714 -6.434 502 HG3 MET 66 1HG MET 66 -11.992 9.411 -5.475 503 HE1 MET 66 3HE MET 66 -11.289 12.162 -3.475 504 HE2 MET 66 1HE MET 66 -10.988 12.405 -5.195 505 HE3 MET 66 2HE MET 66 -9.691 12.664 -4.028 506 H GLU 67 H GLU 67 -9.297 7.728 -9.731 507 HA GLU 67 HA GLU 67 -7.165 6.203 -8.821 508 HB2 GLU 67 2HB GLU 67 -6.923 5.427 -11.116 509 HB3 GLU 67 1HB GLU 67 -8.625 5.549 -10.690 510 HG2 GLU 67 2HG GLU 67 -8.658 7.776 -11.830 511 HG3 GLU 67 1HG GLU 67 -7.027 7.429 -12.405 512 H LYS 68 H LYS 68 -7.174 9.293 -10.437 513 HA LYS 68 HA LYS 68 -4.397 9.269 -11.129 514 HB2 LYS 68 2HB LYS 68 -6.349 11.568 -10.913 515 HB3 LYS 68 1HB LYS 68 -4.738 11.673 -11.609 516 HG2 LYS 68 2HG LYS 68 -5.358 10.690 -13.537 517 HG3 LYS 68 1HG LYS 68 -6.482 9.588 -12.740 518 HD2 LYS 68 2HD LYS 68 -7.219 12.447 -12.704 519 HD3 LYS 68 1HD LYS 68 -7.259 11.655 -14.281 520 HE2 LYS 68 2HE LYS 68 -8.540 10.347 -11.918 521 HE3 LYS 68 1HE LYS 68 -9.379 11.646 -12.765 522 HZ1 LYS 68 3HZ LYS 68 -8.267 9.545 -14.436 523 HZ2 LYS 68 1HZ LYS 68 -9.745 10.360 -14.560 524 HZ3 LYS 68 2HZ LYS 68 -9.568 9.090 -13.456 525 H GLU 69 H GLU 69 -6.168 9.937 -8.261 526 HA GLU 69 HA GLU 69 -4.211 11.666 -7.068 527 HB2 GLU 69 2HB GLU 69 -6.789 10.467 -6.283 528 HB3 GLU 69 1HB GLU 69 -5.660 10.726 -4.961 529 HG2 GLU 69 2HG GLU 69 -5.876 13.015 -6.746 530 HG3 GLU 69 1HG GLU 69 -7.404 12.577 -5.982 531 HA PRO 70 HA PRO 70 -1.435 8.517 -5.662 532 HB2 PRO 70 2HB PRO 70 -0.167 9.868 -3.692 533 HB3 PRO 70 1HB PRO 70 0.100 10.213 -5.404 534 HG2 PRO 70 2HG PRO 70 -1.636 11.648 -3.432 535 HG3 PRO 70 1HG PRO 70 -0.545 12.321 -4.658 536 HD2 PRO 70 2HD PRO 70 -3.231 12.144 -5.013 537 HD3 PRO 70 1HD PRO 70 -2.074 12.033 -6.354 538 H VAL 71 H VAL 71 -0.751 7.400 -3.637 539 HA VAL 71 HA VAL 71 -3.008 6.519 -2.190 540 HB VAL 71 HB VAL 71 -1.235 5.386 -0.715 541 HG11 VAL 71 1HG1 VAL 71 -2.354 4.738 -3.160 542 HG12 VAL 71 2HG1 VAL 71 -1.518 3.636 -2.066 543 HG13 VAL 71 3HG1 VAL 71 -0.635 4.410 -3.381 544 HG21 VAL 71 3HG2 VAL 71 0.479 7.167 -1.695 545 HG22 VAL 71 1HG2 VAL 71 0.706 5.894 -2.895 546 HG23 VAL 71 2HG2 VAL 71 0.980 5.554 -1.186 547 HA PRO 72 HA PRO 72 -3.169 9.189 1.326 548 HB2 PRO 72 2HB PRO 72 -3.766 7.513 3.353 549 HB3 PRO 72 1HB PRO 72 -4.913 7.864 2.057 550 HG2 PRO 72 2HG PRO 72 -3.076 5.514 2.358 551 HG3 PRO 72 1HG PRO 72 -4.799 5.528 1.944 552 HD2 PRO 72 2HD PRO 72 -2.889 5.287 0.065 553 HD3 PRO 72 1HD PRO 72 -4.397 6.170 -0.243 554 H LEU 73 H LEU 73 -0.668 6.991 1.002 555 HA LEU 73 HA LEU 73 0.561 7.656 3.570 556 HB2 LEU 73 2HB LEU 73 1.881 5.852 1.609 557 HB3 LEU 73 1HB LEU 73 1.839 5.764 3.360 558 HG LEU 73 HG LEU 73 -0.573 5.166 1.656 559 HD11 LEU 73 1HD1 LEU 73 0.977 3.567 0.929 560 HD12 LEU 73 2HD1 LEU 73 0.014 2.759 2.165 561 HD13 LEU 73 3HD1 LEU 73 1.633 3.344 2.550 562 HD21 LEU 73 3HD2 LEU 73 0.157 4.700 4.532 563 HD22 LEU 73 1HD2 LEU 73 -1.174 3.861 3.736 564 HD23 LEU 73 2HD2 LEU 73 -1.200 5.618 3.881 565 H GLN 74 H GLN 74 2.707 8.470 3.687 566 HA GLN 74 HA GLN 74 3.734 9.707 1.232 567 HB2 GLN 74 2HB GLN 74 3.237 11.082 3.868 568 HB3 GLN 74 1HB GLN 74 4.290 11.745 2.628 569 HG2 GLN 74 2HG GLN 74 1.337 11.219 2.418 570 HG3 GLN 74 1HG GLN 74 2.147 12.785 2.456 571 HE21 GLN 74 1HE2 GLN 74 0.424 11.209 0.462 572 HE22 GLN 74 2HE2 GLN 74 1.273 11.393 -1.030 573 H HIS 75 H HIS 75 5.938 10.862 1.903 574 HA HIS 75 HA HIS 75 7.796 8.864 2.356 575 HB2 HIS 75 2HB HIS 75 8.142 11.195 1.360 576 HB3 HIS 75 1HB HIS 75 8.311 11.757 3.019 577 HD1 HIS 75 1HD HIS 75 9.818 8.714 3.419 578 HD2 HIS 75 2HD HIS 75 10.936 12.076 1.248 579 HE1 HIS 75 1HE HIS 75 12.307 8.521 3.115 580 HE2 HIS 75 2HE HIS 75 12.949 10.525 1.731 581 H GLY 76 H GLY 76 7.945 7.653 4.128 582 HA2 GLY 76 2HA GLY 76 8.873 7.483 6.341 583 HA3 GLY 76 1HA GLY 76 8.157 9.042 6.715 584 H ASP 77 H ASP 77 6.032 7.065 4.967 585 HA ASP 77 HA ASP 77 4.428 6.670 7.357 586 HB2 ASP 77 2HB ASP 77 3.923 6.861 4.491 587 HB3 ASP 77 1HB ASP 77 3.034 5.541 5.241 588 H ARG 78 H ARG 78 3.092 4.496 7.237 589 HA ARG 78 HA ARG 78 4.815 2.231 6.579 590 HB2 ARG 78 2HB ARG 78 4.229 1.250 8.876 591 HB3 ARG 78 1HB ARG 78 5.468 2.496 8.822 592 HG2 ARG 78 2HG ARG 78 2.607 3.183 9.379 593 HG3 ARG 78 1HG ARG 78 3.684 2.620 10.659 594 HD2 ARG 78 2HD ARG 78 4.928 4.683 9.057 595 HD3 ARG 78 1HD ARG 78 3.396 5.231 9.735 596 HE ARG 78 HE ARG 78 5.826 4.668 11.165 597 HH11 ARG 78 1HH1 ARG 78 2.355 4.930 11.407 598 HH12 ARG 78 2HH1 ARG 78 2.371 5.245 13.109 599 HH21 ARG 78 1HH2 ARG 78 5.851 5.081 13.405 600 HH22 ARG 78 2HH2 ARG 78 4.357 5.331 14.244 601 H ILE 79 H ILE 79 3.724 0.344 6.144 602 HA ILE 79 HA ILE 79 0.826 0.319 6.504 603 HB ILE 79 HB ILE 79 0.765 -0.617 4.057 604 HG12 ILE 79 2HG1 ILE 79 3.114 1.283 3.926 605 HG13 ILE 79 1HG1 ILE 79 3.216 -0.464 3.732 606 HG21 ILE 79 1HG2 ILE 79 -0.258 1.321 3.468 607 HG22 ILE 79 2HG2 ILE 79 1.033 2.329 4.122 608 HG23 ILE 79 3HG2 ILE 79 -0.142 1.588 5.206 609 HD11 ILE 79 3HD1 ILE 79 2.732 -0.299 1.584 610 HD12 ILE 79 1HD1 ILE 79 2.798 1.456 1.751 611 HD13 ILE 79 2HD1 ILE 79 1.262 0.610 1.935 612 H THR 80 H THR 80 -0.120 -1.799 5.834 613 HA THR 80 HA THR 80 1.785 -4.010 6.139 614 HB THR 80 HB THR 80 -0.866 -3.789 7.568 615 HG1 THR 80 1HG THR 80 0.265 -3.337 9.344 616 HG21 THR 80 3HG2 THR 80 -0.205 -6.107 6.960 617 HG22 THR 80 1HG2 THR 80 -0.315 -5.813 8.695 618 HG23 THR 80 2HG2 THR 80 1.263 -5.882 7.911 619 H ILE 81 H ILE 81 1.536 -5.543 4.663 620 HA ILE 81 HA ILE 81 -0.815 -5.441 2.930 621 HB ILE 81 HB ILE 81 1.678 -7.074 2.498 622 HG12 ILE 81 2HG1 ILE 81 2.381 -4.774 2.676 623 HG13 ILE 81 1HG1 ILE 81 2.387 -5.225 0.975 624 HG21 ILE 81 1HG2 ILE 81 0.819 -6.600 0.058 625 HG22 ILE 81 2HG2 ILE 81 -0.724 -6.380 0.885 626 HG23 ILE 81 3HG2 ILE 81 0.142 -7.910 1.024 627 HD11 ILE 81 3HD1 ILE 81 -0.048 -4.202 1.078 628 HD12 ILE 81 1HD1 ILE 81 1.382 -3.199 0.829 629 HD13 ILE 81 2HD1 ILE 81 0.655 -3.318 2.432 630 H GLU 82 H GLU 82 -1.836 -7.423 2.244 631 HA GLU 82 HA GLU 82 -1.472 -9.707 4.038 632 HB2 GLU 82 2HB GLU 82 -3.263 -8.753 5.163 633 HB3 GLU 82 1HB GLU 82 -3.978 -8.106 3.695 634 HG2 GLU 82 2HG GLU 82 -4.774 -10.264 3.049 635 HG3 GLU 82 1HG GLU 82 -3.884 -11.038 4.358 636 H ILE 83 H ILE 83 -1.133 -11.418 2.824 637 HA ILE 83 HA ILE 83 -1.608 -11.502 0.047 638 HB ILE 83 HB ILE 83 -1.037 -13.772 1.960 639 HG12 ILE 83 2HG1 ILE 83 1.173 -13.289 0.324 640 HG13 ILE 83 1HG1 ILE 83 0.598 -11.685 0.761 641 HG21 ILE 83 1HG2 ILE 83 -0.115 -14.630 -0.422 642 HG22 ILE 83 2HG2 ILE 83 -1.514 -13.693 -0.948 643 HG23 ILE 83 3HG2 ILE 83 -1.719 -15.013 0.203 644 HD11 ILE 83 3HD1 ILE 83 1.835 -11.945 2.590 645 HD12 ILE 83 1HD1 ILE 83 1.962 -13.690 2.367 646 HD13 ILE 83 2HD1 ILE 83 0.542 -13.004 3.155 647 H LEU 84 H LEU 84 -3.559 -11.524 -0.816 648 HA LEU 84 HA LEU 84 -5.834 -12.638 0.539 649 HB2 LEU 84 2HB LEU 84 -5.705 -11.676 -2.311 650 HB3 LEU 84 1HB LEU 84 -7.126 -11.814 -1.293 651 HG LEU 84 HG LEU 84 -4.882 -9.818 -1.014 652 HD11 LEU 84 1HD1 LEU 84 -6.777 -8.211 -1.308 653 HD12 LEU 84 2HD1 LEU 84 -7.794 -9.587 -1.735 654 HD13 LEU 84 3HD1 LEU 84 -6.396 -9.180 -2.730 655 HD21 LEU 84 3HD2 LEU 84 -6.871 -10.776 0.925 656 HD22 LEU 84 1HD2 LEU 84 -6.776 -9.023 0.754 657 HD23 LEU 84 2HD2 LEU 84 -5.337 -9.946 1.183 658 H LYS 85 H LYS 85 -7.378 -14.019 -0.896 659 HA LYS 85 HA LYS 85 -5.849 -16.379 -1.678 660 HB2 LYS 85 2HB LYS 85 -7.942 -16.256 -0.055 661 HB3 LYS 85 1HB LYS 85 -8.832 -16.363 -1.567 662 HG2 LYS 85 2HG LYS 85 -8.678 -18.570 -1.081 663 HG3 LYS 85 1HG LYS 85 -7.167 -18.383 -1.974 664 HD2 LYS 85 2HD LYS 85 -7.287 -18.028 1.005 665 HD3 LYS 85 1HD LYS 85 -7.096 -19.623 0.274 666 HE2 LYS 85 2HE LYS 85 -5.128 -18.678 -0.988 667 HE3 LYS 85 1HE LYS 85 -5.260 -17.249 0.037 668 HZ1 LYS 85 3HZ LYS 85 -3.809 -18.428 1.279 669 HZ2 LYS 85 1HZ LYS 85 -4.332 -19.929 0.699 670 HZ3 LYS 85 2HZ LYS 85 -5.224 -19.127 1.891 671 H GLY 86 H GLY 86 -5.176 -16.052 -3.733 672 HA2 GLY 86 2HA GLY 86 -6.673 -14.824 -5.781 673 HA3 GLY 86 1HA GLY 86 -5.277 -15.864 -6.020 Start of MODEL 14 1 H1 LYS 6 H LYS 6 11.743 13.615 -7.698 2 HA LYS 6 HA LYS 6 13.105 11.866 -5.754 3 HB2 LYS 6 2HB LYS 6 12.040 14.654 -5.272 4 HB3 LYS 6 1HB LYS 6 12.889 13.648 -4.107 5 HG2 LYS 6 2HG LYS 6 14.486 13.907 -6.461 6 HG3 LYS 6 1HG LYS 6 13.971 15.506 -5.922 7 HD2 LYS 6 2HD LYS 6 15.224 15.416 -4.049 8 HD3 LYS 6 1HD LYS 6 14.887 13.704 -3.786 9 HE2 LYS 6 2HE LYS 6 16.689 13.023 -4.990 10 HE3 LYS 6 1HE LYS 6 16.595 14.389 -6.103 11 HZ1 LYS 6 3HZ LYS 6 18.463 14.149 -4.232 12 HZ2 LYS 6 1HZ LYS 6 17.311 15.030 -3.361 13 HZ3 LYS 6 2HZ LYS 6 17.924 15.643 -4.813 14 H GLU 7 H GLU 7 11.771 10.368 -5.003 15 HA GLU 7 HA GLU 7 8.917 11.030 -4.715 16 HB2 GLU 7 2HB GLU 7 8.757 8.426 -4.613 17 HB3 GLU 7 1HB GLU 7 8.947 9.230 -6.162 18 HG2 GLU 7 2HG GLU 7 11.343 8.274 -4.660 19 HG3 GLU 7 1HG GLU 7 10.376 7.149 -5.612 20 H LYS 8 H LYS 8 7.992 9.202 -3.007 21 HA LYS 8 HA LYS 8 9.440 9.827 -0.533 22 HB2 LYS 8 2HB LYS 8 7.333 9.456 0.623 23 HB3 LYS 8 1HB LYS 8 7.121 10.635 -0.660 24 HG2 LYS 8 2HG LYS 8 6.538 8.167 -1.821 25 HG3 LYS 8 1HG LYS 8 5.785 8.128 -0.227 26 HD2 LYS 8 2HD LYS 8 5.037 10.574 -0.957 27 HD3 LYS 8 1HD LYS 8 5.210 9.865 -2.563 28 HE2 LYS 8 2HE LYS 8 3.641 8.134 -2.039 29 HE3 LYS 8 1HE LYS 8 3.592 8.624 -0.347 30 HZ1 LYS 8 3HZ LYS 8 2.930 10.834 -1.947 31 HZ2 LYS 8 1HZ LYS 8 1.959 10.018 -0.826 32 HZ3 LYS 8 2HZ LYS 8 1.985 9.522 -2.442 33 H LYS 9 H LYS 9 9.531 8.226 1.144 34 HA LYS 9 HA LYS 9 9.557 5.470 0.102 35 HB2 LYS 9 2HB LYS 9 11.825 6.254 0.500 36 HB3 LYS 9 1HB LYS 9 11.397 6.757 2.130 37 HG2 LYS 9 2HG LYS 9 10.808 3.954 1.643 38 HG3 LYS 9 1HG LYS 9 12.511 4.346 1.400 39 HD2 LYS 9 2HD LYS 9 11.334 5.552 3.796 40 HD3 LYS 9 1HD LYS 9 11.348 3.788 3.811 41 HE2 LYS 9 2HE LYS 9 13.827 5.161 2.943 42 HE3 LYS 9 1HE LYS 9 13.410 5.252 4.655 43 HZ1 LYS 9 3HZ LYS 9 14.286 2.980 3.078 44 HZ2 LYS 9 1HZ LYS 9 13.044 2.657 4.182 45 HZ3 LYS 9 2HZ LYS 9 14.509 3.308 4.722 46 H ILE 10 H ILE 10 8.462 3.954 1.226 47 HA ILE 10 HA ILE 10 7.509 4.651 3.918 48 HB ILE 10 HB ILE 10 5.578 3.068 2.392 49 HG12 ILE 10 2HG1 ILE 10 6.413 4.625 0.610 50 HG13 ILE 10 1HG1 ILE 10 4.712 4.842 1.009 51 HG21 ILE 10 1HG2 ILE 10 4.638 3.766 4.318 52 HG22 ILE 10 2HG2 ILE 10 4.234 5.190 3.359 53 HG23 ILE 10 3HG2 ILE 10 5.648 5.209 4.414 54 HD11 ILE 10 3HD1 ILE 10 5.051 6.971 1.486 55 HD12 ILE 10 1HD1 ILE 10 6.715 6.786 0.931 56 HD13 ILE 10 2HD1 ILE 10 6.323 6.561 2.636 57 H ARG 11 H ARG 11 6.684 2.749 5.129 58 HA ARG 11 HA ARG 11 8.434 0.459 4.636 59 HB2 ARG 11 2HB ARG 11 8.509 1.480 6.858 60 HB3 ARG 11 1HB ARG 11 6.783 1.213 7.056 61 HG2 ARG 11 2HG ARG 11 7.327 -1.271 6.755 62 HG3 ARG 11 1HG ARG 11 9.002 -0.798 7.039 63 HD2 ARG 11 2HD ARG 11 6.647 -0.469 8.887 64 HD3 ARG 11 1HD ARG 11 8.076 -1.474 9.130 65 HE ARG 11 HE ARG 11 7.839 1.361 9.596 66 HH11 ARG 11 1HH1 ARG 11 10.035 -1.291 9.022 67 HH12 ARG 11 2HH1 ARG 11 11.389 -0.490 9.744 68 HH21 ARG 11 1HH2 ARG 11 9.619 2.416 10.546 69 HH22 ARG 11 2HH2 ARG 11 11.153 1.614 10.610 70 H ILE 12 H ILE 12 7.643 -1.715 4.738 71 HA ILE 12 HA ILE 12 4.745 -2.018 4.389 72 HB ILE 12 HB ILE 12 6.783 -3.339 2.595 73 HG12 ILE 12 2HG1 ILE 12 4.702 -1.372 1.684 74 HG13 ILE 12 1HG1 ILE 12 6.258 -0.806 2.287 75 HG21 ILE 12 1HG2 ILE 12 4.627 -3.936 1.339 76 HG22 ILE 12 2HG2 ILE 12 3.804 -3.532 2.845 77 HG23 ILE 12 3HG2 ILE 12 5.000 -4.827 2.815 78 HD11 ILE 12 3HD1 ILE 12 5.843 -2.682 -0.033 79 HD12 ILE 12 1HD1 ILE 12 7.399 -2.107 0.566 80 HD13 ILE 12 2HD1 ILE 12 6.250 -0.969 -0.139 81 H THR 13 H THR 13 3.903 -3.998 5.024 82 HA THR 13 HA THR 13 5.693 -6.076 5.954 83 HB THR 13 HB THR 13 3.685 -5.168 7.959 84 HG1 THR 13 1HG THR 13 6.257 -4.017 7.634 85 HG21 THR 13 3HG2 THR 13 5.968 -6.931 7.854 86 HG22 THR 13 1HG2 THR 13 4.658 -6.835 9.031 87 HG23 THR 13 2HG2 THR 13 6.065 -5.784 9.190 88 H THR 14 H THR 14 4.873 -7.892 5.169 89 HA THR 14 HA THR 14 2.035 -8.049 4.591 90 HB THR 14 HB THR 14 2.501 -9.743 3.128 91 HG1 THR 14 1HG THR 14 3.440 -11.393 3.994 92 HG21 THR 14 3HG2 THR 14 5.326 -8.840 3.155 93 HG22 THR 14 1HG2 THR 14 4.059 -7.671 2.785 94 HG23 THR 14 2HG2 THR 14 4.236 -9.120 1.796 95 H ASN 15 H ASN 15 0.611 -9.403 5.448 96 HA ASN 15 HA ASN 15 0.686 -10.093 8.091 97 HB2 ASN 15 2HB ASN 15 -1.398 -10.977 7.761 98 HB3 ASN 15 1HB ASN 15 -1.233 -10.116 6.243 99 HD21 ASN 15 1HD2 ASN 15 -0.280 -11.422 4.450 100 HD22 ASN 15 2HD2 ASN 15 -0.820 -13.056 4.303 101 H ASP 16 H ASP 16 2.013 -11.882 5.410 102 HA ASP 16 HA ASP 16 2.166 -14.427 6.559 103 HB2 ASP 16 2HB ASP 16 2.963 -13.330 4.180 104 HB3 ASP 16 1HB ASP 16 4.510 -13.648 4.960 105 H GLY 17 H GLY 17 3.913 -11.526 7.219 106 HA2 GLY 17 2HA GLY 17 4.966 -11.385 9.418 107 HA3 GLY 17 1HA GLY 17 5.570 -13.014 9.158 108 H ARG 18 H ARG 18 5.576 -10.589 6.632 109 HA ARG 18 HA ARG 18 8.482 -10.271 7.011 110 HB2 ARG 18 2HB ARG 18 8.990 -10.751 4.795 111 HB3 ARG 18 1HB ARG 18 7.761 -11.946 5.179 112 HG2 ARG 18 2HG ARG 18 6.081 -10.457 4.111 113 HG3 ARG 18 1HG ARG 18 7.406 -9.413 3.598 114 HD2 ARG 18 2HD ARG 18 6.891 -10.854 1.774 115 HD3 ARG 18 1HD ARG 18 8.417 -11.399 2.466 116 HE ARG 18 HE ARG 18 7.389 -13.347 3.157 117 HH11 ARG 18 1HH1 ARG 18 4.985 -11.095 2.005 118 HH12 ARG 18 2HH1 ARG 18 3.744 -12.294 1.877 119 HH21 ARG 18 1HH2 ARG 18 5.756 -14.926 2.984 120 HH22 ARG 18 2HH2 ARG 18 4.182 -14.467 2.427 121 H GLN 19 H GLN 19 9.399 -8.348 5.986 122 HA GLN 19 HA GLN 19 7.482 -6.286 5.229 123 HB2 GLN 19 2HB GLN 19 8.744 -4.693 6.831 124 HB3 GLN 19 1HB GLN 19 7.505 -5.748 7.486 125 HG2 GLN 19 2HG GLN 19 9.080 -6.179 9.023 126 HG3 GLN 19 1HG GLN 19 9.652 -7.324 7.810 127 HE21 GLN 19 1HE2 GLN 19 11.130 -5.946 9.902 128 HE22 GLN 19 2HE2 GLN 19 12.376 -5.054 9.106 129 H SER 20 H SER 20 8.498 -4.334 4.397 130 HA SER 20 HA SER 20 11.282 -4.291 3.779 131 HB2 SER 20 2HB SER 20 9.708 -5.808 2.029 132 HB3 SER 20 1HB SER 20 9.940 -4.267 1.203 133 HG SER 20 HG SER 20 12.261 -4.624 1.860 134 H MET 21 H MET 21 11.613 -2.493 1.964 135 HA MET 21 HA MET 21 9.712 -0.318 2.545 136 HB2 MET 21 2HB MET 21 11.475 1.246 2.774 137 HB3 MET 21 1HB MET 21 11.939 -0.144 3.743 138 HG2 MET 21 2HG MET 21 12.910 0.195 0.928 139 HG3 MET 21 1HG MET 21 13.716 0.972 2.287 140 HE1 MET 21 3HE MET 21 13.216 -3.154 0.935 141 HE2 MET 21 1HE MET 21 14.759 -2.516 0.367 142 HE3 MET 21 2HE MET 21 13.272 -1.617 0.071 143 H VAL 22 H VAL 22 9.430 1.271 0.957 144 HA VAL 22 HA VAL 22 10.402 0.558 -1.720 145 HB VAL 22 HB VAL 22 8.122 1.190 -2.585 146 HG11 VAL 22 1HG1 VAL 22 7.114 -1.027 -1.989 147 HG12 VAL 22 2HG1 VAL 22 8.466 -1.264 -0.883 148 HG13 VAL 22 3HG1 VAL 22 8.761 -1.100 -2.613 149 HG21 VAL 22 3HG2 VAL 22 7.384 2.319 -0.502 150 HG22 VAL 22 1HG2 VAL 22 7.283 0.738 0.270 151 HG23 VAL 22 2HG2 VAL 22 6.238 1.118 -1.098 152 H THR 23 H THR 23 9.806 2.355 -3.321 153 HA THR 23 HA THR 23 10.254 4.969 -2.035 154 HB THR 23 HB THR 23 12.192 4.050 -3.354 155 HG1 THR 23 1HG THR 23 12.678 6.034 -3.860 156 HG21 THR 23 3HG2 THR 23 11.167 4.840 -5.925 157 HG22 THR 23 1HG2 THR 23 10.275 3.466 -5.272 158 HG23 THR 23 2HG2 THR 23 12.028 3.375 -5.453 159 H LEU 24 H LEU 24 7.697 4.140 -2.321 160 HA LEU 24 HA LEU 24 6.188 4.411 -4.505 161 HB2 LEU 24 2HB LEU 24 5.750 4.677 -1.766 162 HB3 LEU 24 1HB LEU 24 5.082 6.142 -2.459 163 HG LEU 24 HG LEU 24 3.654 4.811 -3.935 164 HD11 LEU 24 1HD1 LEU 24 3.840 2.600 -4.247 165 HD12 LEU 24 2HD1 LEU 24 4.135 2.282 -2.538 166 HD13 LEU 24 3HD1 LEU 24 5.458 2.808 -3.579 167 HD21 LEU 24 3HD2 LEU 24 3.457 3.995 -1.039 168 HD22 LEU 24 1HD2 LEU 24 2.158 3.914 -2.228 169 HD23 LEU 24 2HD2 LEU 24 2.812 5.478 -1.743 170 H LYS 25 H LYS 25 5.730 5.850 -6.041 171 HA LYS 25 HA LYS 25 7.210 8.221 -6.326 172 HB2 LYS 25 2HB LYS 25 4.627 7.569 -7.745 173 HB3 LYS 25 1HB LYS 25 5.914 8.626 -8.306 174 HG2 LYS 25 2HG LYS 25 6.412 5.715 -7.806 175 HG3 LYS 25 1HG LYS 25 5.727 6.285 -9.327 176 HD2 LYS 25 2HD LYS 25 8.010 6.223 -9.763 177 HD3 LYS 25 1HD LYS 25 7.726 7.917 -9.356 178 HE2 LYS 25 2HE LYS 25 8.924 7.793 -7.451 179 HE3 LYS 25 1HE LYS 25 8.368 6.162 -7.083 180 HZ1 LYS 25 3HZ LYS 25 10.639 7.019 -8.742 181 HZ2 LYS 25 1HZ LYS 25 9.889 5.538 -9.072 182 HZ3 LYS 25 2HZ LYS 25 10.574 5.820 -7.551 183 H SER 26 H SER 26 6.245 10.406 -6.656 184 HA SER 26 HA SER 26 4.913 11.239 -4.304 185 HB2 SER 26 2HB SER 26 5.925 12.542 -6.769 186 HB3 SER 26 1HB SER 26 4.656 13.401 -5.896 187 HG SER 26 HG SER 26 6.071 13.912 -4.440 188 H SER 27 H SER 27 3.827 10.434 -7.521 189 HA SER 27 HA SER 27 1.059 10.991 -6.678 190 HB2 SER 27 2HB SER 27 1.747 12.540 -8.450 191 HB3 SER 27 1HB SER 27 2.212 11.181 -9.472 192 HG SER 27 HG SER 27 0.012 10.516 -9.426 193 H THR 28 H THR 28 2.019 8.606 -5.973 194 HA THR 28 HA THR 28 1.316 6.686 -8.062 195 HB THR 28 HB THR 28 2.941 6.610 -5.590 196 HG1 THR 28 1HG THR 28 4.122 5.155 -6.957 197 HG21 THR 28 3HG2 THR 28 1.678 4.891 -4.758 198 HG22 THR 28 1HG2 THR 28 2.814 4.014 -5.781 199 HG23 THR 28 2HG2 THR 28 1.178 4.336 -6.355 200 H THR 29 H THR 29 -0.762 6.191 -8.214 201 HA THR 29 HA THR 29 -2.571 6.477 -5.998 202 HB THR 29 HB THR 29 -3.433 7.021 -8.154 203 HG1 THR 29 1HG THR 29 -4.564 4.480 -7.731 204 HG21 THR 29 3HG2 THR 29 -2.074 5.878 -9.688 205 HG22 THR 29 1HG2 THR 29 -3.699 5.226 -9.906 206 HG23 THR 29 2HG2 THR 29 -2.493 4.305 -9.008 207 H PHE 30 H PHE 30 -4.223 4.535 -5.763 208 HA PHE 30 HA PHE 30 -3.035 2.533 -4.326 209 HB2 PHE 30 2HB PHE 30 -5.466 3.016 -4.339 210 HB3 PHE 30 1HB PHE 30 -5.588 2.254 -5.922 211 HD1 PHE 30 2HD PHE 30 -4.659 1.603 -2.393 212 HD2 PHE 30 1HD PHE 30 -5.896 -0.047 -6.115 213 HE1 PHE 30 2HE PHE 30 -4.990 -0.581 -1.311 214 HE2 PHE 30 1HE PHE 30 -6.229 -2.234 -5.039 215 HZ PHE 30 HZ PHE 30 -5.778 -2.503 -2.634 216 H PHE 31 H PHE 31 -3.635 2.617 -7.789 217 HA PHE 31 HA PHE 31 -2.983 -0.093 -8.308 218 HB2 PHE 31 2HB PHE 31 -2.785 2.278 -10.176 219 HB3 PHE 31 1HB PHE 31 -2.843 0.583 -10.648 220 HD1 PHE 31 2HD PHE 31 -4.939 -0.740 -10.040 221 HD2 PHE 31 1HD PHE 31 -4.740 3.510 -9.941 222 HE1 PHE 31 2HE PHE 31 -7.395 -0.626 -10.148 223 HE2 PHE 31 1HE PHE 31 -7.195 3.632 -10.047 224 HZ PHE 31 HZ PHE 31 -8.525 1.562 -10.153 225 H GLU 32 H GLU 32 -1.105 2.912 -8.679 226 HA GLU 32 HA GLU 32 1.289 1.729 -9.504 227 HB2 GLU 32 2HB GLU 32 0.560 4.332 -8.236 228 HB3 GLU 32 1HB GLU 32 2.259 3.890 -8.323 229 HG2 GLU 32 2HG GLU 32 1.353 3.383 -10.868 230 HG3 GLU 32 1HG GLU 32 0.461 4.831 -10.402 231 H LEU 33 H LEU 33 -0.109 2.134 -6.331 232 HA LEU 33 HA LEU 33 2.259 1.542 -4.858 233 HB2 LEU 33 2HB LEU 33 0.559 2.748 -3.730 234 HB3 LEU 33 1HB LEU 33 -0.667 1.572 -4.159 235 HG LEU 33 HG LEU 33 0.250 -0.038 -2.611 236 HD11 LEU 33 1HD1 LEU 33 2.205 0.269 -1.349 237 HD12 LEU 33 2HD1 LEU 33 2.314 1.977 -1.778 238 HD13 LEU 33 3HD1 LEU 33 2.640 0.742 -2.992 239 HD21 LEU 33 3HD2 LEU 33 -0.250 1.051 -0.547 240 HD22 LEU 33 1HD2 LEU 33 -1.293 1.747 -1.787 241 HD23 LEU 33 2HD2 LEU 33 0.125 2.634 -1.227 242 H GLN 34 H GLN 34 -0.555 -0.357 -5.885 243 HA GLN 34 HA GLN 34 0.119 -2.766 -4.640 244 HB2 GLN 34 2HB GLN 34 -1.382 -2.264 -7.215 245 HB3 GLN 34 1HB GLN 34 -1.299 -3.825 -6.411 246 HG2 GLN 34 2HG GLN 34 -2.165 -1.637 -4.679 247 HG3 GLN 34 1HG GLN 34 -3.242 -1.958 -6.037 248 HE21 GLN 34 1HE2 GLN 34 -1.279 -3.982 -3.879 249 HE22 GLN 34 2HE2 GLN 34 -2.566 -5.037 -3.417 250 H GLU 35 H GLU 35 1.364 -1.255 -7.510 251 HA GLU 35 HA GLU 35 2.649 -3.632 -8.507 252 HB2 GLU 35 2HB GLU 35 1.895 -1.852 -10.031 253 HB3 GLU 35 1HB GLU 35 3.027 -0.734 -9.284 254 HG2 GLU 35 2HG GLU 35 4.645 -1.403 -10.629 255 HG3 GLU 35 1HG GLU 35 4.431 -3.076 -10.117 256 H SER 36 H SER 36 3.436 -1.055 -6.330 257 HA SER 36 HA SER 36 6.273 -1.326 -6.475 258 HB2 SER 36 2HB SER 36 4.348 0.086 -4.678 259 HB3 SER 36 1HB SER 36 5.998 -0.160 -4.107 260 HG SER 36 HG SER 36 6.634 0.799 -6.190 261 H ILE 37 H ILE 37 3.855 -2.368 -4.074 262 HA ILE 37 HA ILE 37 5.591 -3.762 -2.392 263 HB ILE 37 HB ILE 37 2.710 -4.475 -2.960 264 HG12 ILE 37 2HG1 ILE 37 3.269 -2.888 -0.568 265 HG13 ILE 37 1HG1 ILE 37 3.662 -2.037 -2.058 266 HG21 ILE 37 1HG2 ILE 37 2.677 -5.588 -0.904 267 HG22 ILE 37 2HG2 ILE 37 4.191 -4.851 -0.379 268 HG23 ILE 37 3HG2 ILE 37 4.200 -6.078 -1.646 269 HD11 ILE 37 3HD1 ILE 37 1.486 -1.973 -2.754 270 HD12 ILE 37 1HD1 ILE 37 1.281 -1.874 -1.005 271 HD13 ILE 37 2HD1 ILE 37 1.034 -3.409 -1.838 272 H ALA 38 H ALA 38 3.914 -4.766 -5.320 273 HA ALA 38 HA ALA 38 4.410 -7.512 -5.194 274 HB1 ALA 38 1HB ALA 38 3.089 -5.906 -6.915 275 HB2 ALA 38 2HB ALA 38 3.490 -7.591 -7.248 276 HB3 ALA 38 3HB ALA 38 4.516 -6.299 -7.873 277 H ARG 39 H ARG 39 6.572 -4.903 -5.706 278 HA ARG 39 HA ARG 39 8.577 -6.567 -7.016 279 HB2 ARG 39 2HB ARG 39 9.104 -3.777 -6.060 280 HB3 ARG 39 1HB ARG 39 9.772 -4.619 -7.451 281 HG2 ARG 39 2HG ARG 39 7.244 -4.535 -8.244 282 HG3 ARG 39 1HG ARG 39 7.222 -3.137 -7.168 283 HD2 ARG 39 2HD ARG 39 8.702 -1.950 -8.454 284 HD3 ARG 39 1HD ARG 39 9.460 -3.400 -9.110 285 HE ARG 39 HE ARG 39 6.741 -3.037 -9.962 286 HH11 ARG 39 1HH1 ARG 39 10.071 -2.216 -10.611 287 HH12 ARG 39 2HH1 ARG 39 9.792 -1.880 -12.286 288 HH21 ARG 39 1HH2 ARG 39 6.374 -2.599 -12.168 289 HH22 ARG 39 2HH2 ARG 39 7.695 -2.098 -13.170 290 H GLU 40 H GLU 40 8.199 -4.698 -4.023 291 HA GLU 40 HA GLU 40 10.638 -5.474 -2.855 292 HB2 GLU 40 2HB GLU 40 8.249 -4.022 -2.058 293 HB3 GLU 40 1HB GLU 40 8.893 -4.993 -0.741 294 HG2 GLU 40 2HG GLU 40 9.779 -2.721 -0.730 295 HG3 GLU 40 1HG GLU 40 11.048 -3.922 -0.957 296 H PHE 41 H PHE 41 7.550 -7.053 -3.075 297 HA PHE 41 HA PHE 41 8.626 -9.271 -1.467 298 HB2 PHE 41 2HB PHE 41 5.719 -8.455 -1.592 299 HB3 PHE 41 1HB PHE 41 6.423 -9.711 -0.579 300 HD1 PHE 41 1HD PHE 41 6.077 -6.097 -1.082 301 HD2 PHE 41 2HD PHE 41 7.612 -9.165 1.431 302 HE1 PHE 41 1HE PHE 41 6.444 -4.447 0.705 303 HE2 PHE 41 2HE PHE 41 7.977 -7.525 3.224 304 HZ PHE 41 HZ PHE 41 7.394 -5.161 2.863 305 H ASN 42 H ASN 42 6.723 -11.164 -1.896 306 HA ASN 42 HA ASN 42 6.876 -11.566 -4.809 307 HB2 ASN 42 2HB ASN 42 7.301 -13.391 -2.497 308 HB3 ASN 42 1HB ASN 42 6.574 -14.074 -3.948 309 HD21 ASN 42 1HD2 ASN 42 9.097 -11.641 -3.408 310 HD22 ASN 42 2HD2 ASN 42 10.300 -12.427 -4.366 311 H ILE 43 H ILE 43 4.722 -10.137 -3.993 312 HA ILE 43 HA ILE 43 2.546 -12.068 -4.360 313 HB ILE 43 HB ILE 43 2.354 -9.661 -2.546 314 HG12 ILE 43 2HG1 ILE 43 1.892 -11.922 -1.025 315 HG13 ILE 43 1HG1 ILE 43 3.225 -12.412 -2.065 316 HG21 ILE 43 1HG2 ILE 43 0.160 -10.366 -2.040 317 HG22 ILE 43 2HG2 ILE 43 0.391 -11.920 -2.841 318 HG23 ILE 43 3HG2 ILE 43 0.290 -10.441 -3.797 319 HD11 ILE 43 3HD1 ILE 43 4.612 -11.369 -0.707 320 HD12 ILE 43 1HD1 ILE 43 3.262 -10.772 0.259 321 HD13 ILE 43 2HD1 ILE 43 3.839 -9.839 -1.123 322 HA PRO 44 HA PRO 44 1.608 -9.341 -7.730 323 HB2 PRO 44 2HB PRO 44 -0.854 -10.305 -8.343 324 HB3 PRO 44 1HB PRO 44 0.640 -11.160 -8.744 325 HG2 PRO 44 2HG PRO 44 -1.251 -11.611 -6.470 326 HG3 PRO 44 1HG PRO 44 -0.428 -12.800 -7.496 327 HD2 PRO 44 2HD PRO 44 0.434 -12.153 -4.998 328 HD3 PRO 44 1HD PRO 44 1.531 -12.668 -6.293 329 HA PRO 45 HA PRO 45 -0.870 -6.007 -6.269 330 HB2 PRO 45 2HB PRO 45 -2.237 -5.229 -8.502 331 HB3 PRO 45 1HB PRO 45 -0.526 -4.883 -8.231 332 HG2 PRO 45 2HG PRO 45 -1.785 -7.053 -9.862 333 HG3 PRO 45 1HG PRO 45 -0.391 -6.027 -10.250 334 HD2 PRO 45 2HD PRO 45 -0.099 -8.558 -9.376 335 HD3 PRO 45 1HD PRO 45 1.051 -7.277 -8.944 336 H TYR 46 H TYR 46 -2.470 -8.704 -7.776 337 HA TYR 46 HA TYR 46 -5.080 -7.820 -6.807 338 HB2 TYR 46 2HB TYR 46 -6.011 -9.664 -8.069 339 HB3 TYR 46 1HB TYR 46 -4.898 -8.761 -9.090 340 HD1 TYR 46 1HD TYR 46 -2.727 -9.728 -9.718 341 HD2 TYR 46 2HD TYR 46 -5.564 -11.940 -7.446 342 HE1 TYR 46 1HE TYR 46 -1.516 -11.803 -10.238 343 HE2 TYR 46 2HE TYR 46 -4.358 -14.022 -7.957 344 HH TYR 46 HH TYR 46 -1.401 -14.260 -8.868 345 H LEU 47 H LEU 47 -2.623 -9.058 -5.257 346 HA LEU 47 HA LEU 47 -4.320 -10.724 -3.538 347 HB2 LEU 47 2HB LEU 47 -1.568 -11.437 -4.531 348 HB3 LEU 47 1HB LEU 47 -2.331 -12.223 -3.163 349 HG LEU 47 HG LEU 47 -3.371 -12.235 -5.996 350 HD11 LEU 47 1HD1 LEU 47 -2.897 -14.809 -5.376 351 HD12 LEU 47 2HD1 LEU 47 -1.607 -14.027 -4.462 352 HD13 LEU 47 3HD1 LEU 47 -1.735 -13.770 -6.203 353 HD21 LEU 47 3HD2 LEU 47 -4.378 -13.654 -3.533 354 HD22 LEU 47 1HD2 LEU 47 -5.007 -13.838 -5.169 355 HD23 LEU 47 2HD2 LEU 47 -5.165 -12.295 -4.335 356 H GLN 48 H GLN 48 -2.668 -7.979 -3.687 357 HA GLN 48 HA GLN 48 -1.484 -8.258 -1.011 358 HB2 GLN 48 2HB GLN 48 -0.936 -6.279 -3.222 359 HB3 GLN 48 1HB GLN 48 -0.290 -6.115 -1.596 360 HG2 GLN 48 2HG GLN 48 0.956 -8.145 -1.816 361 HG3 GLN 48 1HG GLN 48 0.191 -8.499 -3.362 362 HE21 GLN 48 1HE2 GLN 48 0.332 -6.141 -4.675 363 HE22 GLN 48 2HE2 GLN 48 1.980 -5.688 -4.928 364 H CYS 49 H CYS 49 -2.814 -7.620 0.537 365 HA CYS 49 HA CYS 49 -4.636 -5.375 0.022 366 HB2 CYS 49 2HB CYS 49 -5.796 -7.353 0.765 367 HB3 CYS 49 1HB CYS 49 -4.689 -7.555 2.116 368 HG CYS 49 HG CYS 49 -5.888 -5.041 2.747 369 H ILE 50 H ILE 50 -3.595 -3.541 0.492 370 HA ILE 50 HA ILE 50 -1.645 -3.341 2.579 371 HB ILE 50 HB ILE 50 -2.955 -1.087 1.059 372 HG12 ILE 50 2HG1 ILE 50 -0.269 -1.978 0.250 373 HG13 ILE 50 1HG1 ILE 50 -1.547 -3.141 -0.085 374 HG21 ILE 50 1HG2 ILE 50 -1.790 -0.271 2.971 375 HG22 ILE 50 2HG2 ILE 50 -0.786 0.055 1.559 376 HG23 ILE 50 3HG2 ILE 50 -0.394 -1.293 2.627 377 HD11 ILE 50 3HD1 ILE 50 -0.951 -1.467 -1.905 378 HD12 ILE 50 1HD1 ILE 50 -1.780 -0.271 -0.908 379 HD13 ILE 50 2HD1 ILE 50 -2.660 -1.673 -1.517 380 H ARG 51 H ARG 51 -1.730 -1.896 4.375 381 HA ARG 51 HA ARG 51 -4.343 -0.990 5.273 382 HB2 ARG 51 2HB ARG 51 -2.658 -2.880 6.928 383 HB3 ARG 51 1HB ARG 51 -4.150 -2.108 7.447 384 HG2 ARG 51 2HG ARG 51 -5.069 -3.315 5.263 385 HG3 ARG 51 1HG ARG 51 -3.730 -4.403 5.629 386 HD2 ARG 51 2HD ARG 51 -4.592 -4.819 7.829 387 HD3 ARG 51 1HD ARG 51 -5.835 -3.586 7.625 388 HE ARG 51 HE ARG 51 -6.180 -5.451 5.593 389 HH11 ARG 51 1HH1 ARG 51 -6.352 -5.340 9.077 390 HH12 ARG 51 2HH1 ARG 51 -7.542 -6.592 9.183 391 HH21 ARG 51 1HH2 ARG 51 -7.747 -7.098 5.730 392 HH22 ARG 51 2HH2 ARG 51 -8.336 -7.591 7.283 393 H TYR 52 H TYR 52 -4.222 0.841 6.476 394 HA TYR 52 HA TYR 52 -1.658 1.604 7.657 395 HB2 TYR 52 2HB TYR 52 -1.684 3.801 6.624 396 HB3 TYR 52 1HB TYR 52 -1.704 2.564 5.374 397 HD1 TYR 52 1HD TYR 52 -4.160 1.867 4.598 398 HD2 TYR 52 2HD TYR 52 -3.125 5.584 6.390 399 HE1 TYR 52 1HE TYR 52 -6.161 2.895 3.607 400 HE2 TYR 52 2HE TYR 52 -5.123 6.623 5.403 401 HH TYR 52 HH TYR 52 -6.987 5.095 2.987 402 H GLY 53 H GLY 53 -1.865 3.607 9.003 403 HA2 GLY 53 2HA GLY 53 -2.866 4.793 10.693 404 HA3 GLY 53 1HA GLY 53 -4.378 4.596 9.821 405 H PHE 54 H PHE 54 -4.331 4.617 12.559 406 HA PHE 54 HA PHE 54 -4.865 1.802 13.240 407 HB2 PHE 54 2HB PHE 54 -2.941 2.826 14.471 408 HB3 PHE 54 1HB PHE 54 -4.067 3.990 15.165 409 HD1 PHE 54 2HD PHE 54 -3.670 0.301 14.777 410 HD2 PHE 54 1HD PHE 54 -4.953 3.532 17.231 411 HE1 PHE 54 2HE PHE 54 -4.182 -1.284 16.588 412 HE2 PHE 54 1HE PHE 54 -5.467 1.953 19.047 413 HZ PHE 54 HZ PHE 54 -5.082 -0.458 18.726 414 HA PRO 55 HA PRO 55 -6.300 0.429 14.091 415 HB2 PRO 55 2HB PRO 55 -8.870 0.069 12.694 416 HB3 PRO 55 1HB PRO 55 -8.256 -0.736 14.140 417 HG2 PRO 55 2HG PRO 55 -10.237 1.067 14.273 418 HG3 PRO 55 1HG PRO 55 -9.013 0.930 15.551 419 HD2 PRO 55 2HD PRO 55 -9.218 2.930 13.327 420 HD3 PRO 55 1HD PRO 55 -8.787 3.181 15.032 421 HA PRO 56 HA PRO 56 -4.877 0.168 9.928 422 HB2 PRO 56 2HB PRO 56 -4.881 -2.507 9.478 423 HB3 PRO 56 1HB PRO 56 -3.711 -1.715 10.541 424 HG2 PRO 56 2HG PRO 56 -6.217 -3.191 11.248 425 HG3 PRO 56 1HG PRO 56 -4.621 -3.261 12.019 426 HD2 PRO 56 2HD PRO 56 -6.668 -1.806 13.031 427 HD3 PRO 56 1HD PRO 56 -4.971 -1.317 13.207 428 H LYS 57 H LYS 57 -5.899 0.661 8.134 429 HA LYS 57 HA LYS 57 -8.598 -0.299 7.655 430 HB2 LYS 57 2HB LYS 57 -6.886 1.726 6.206 431 HB3 LYS 57 1HB LYS 57 -8.524 1.306 5.730 432 HG2 LYS 57 2HG LYS 57 -9.449 2.251 7.667 433 HG3 LYS 57 1HG LYS 57 -7.883 2.319 8.478 434 HD2 LYS 57 2HD LYS 57 -8.046 4.500 7.843 435 HD3 LYS 57 1HD LYS 57 -7.303 3.849 6.380 436 HE2 LYS 57 2HE LYS 57 -9.171 4.138 5.144 437 HE3 LYS 57 1HE LYS 57 -10.245 3.732 6.482 438 HZ1 LYS 57 3HZ LYS 57 -8.921 6.330 5.952 439 HZ2 LYS 57 1HZ LYS 57 -9.675 5.966 7.423 440 HZ3 LYS 57 2HZ LYS 57 -10.580 6.002 5.995 441 H GLU 58 H GLU 58 -9.050 -0.686 5.176 442 HA GLU 58 HA GLU 58 -7.258 -2.863 4.397 443 HB2 GLU 58 2HB GLU 58 -9.675 -3.334 4.634 444 HB3 GLU 58 1HB GLU 58 -10.012 -2.168 3.363 445 HG2 GLU 58 2HG GLU 58 -9.822 -3.794 1.883 446 HG3 GLU 58 1HG GLU 58 -8.115 -3.929 2.300 447 H LEU 59 H LEU 59 -8.046 0.341 3.517 448 HA LEU 59 HA LEU 59 -7.596 1.651 1.703 449 HB2 LEU 59 2HB LEU 59 -5.332 1.153 2.621 450 HB3 LEU 59 1HB LEU 59 -5.199 -0.166 1.475 451 HG LEU 59 HG LEU 59 -5.121 1.319 -0.382 452 HD11 LEU 59 1HD1 LEU 59 -5.396 3.755 -0.132 453 HD12 LEU 59 2HD1 LEU 59 -5.861 3.510 1.552 454 HD13 LEU 59 3HD1 LEU 59 -6.865 2.860 0.256 455 HD21 LEU 59 3HD2 LEU 59 -2.976 1.343 0.354 456 HD22 LEU 59 1HD2 LEU 59 -3.409 1.957 1.949 457 HD23 LEU 59 2HD2 LEU 59 -3.345 3.054 0.570 458 H MET 60 H MET 60 -9.251 1.156 0.294 459 HA MET 60 HA MET 60 -8.873 -1.052 -1.569 460 HB2 MET 60 2HB MET 60 -11.221 0.817 -1.219 461 HB3 MET 60 1HB MET 60 -11.184 -0.610 -2.247 462 HG2 MET 60 2HG MET 60 -10.632 -1.897 -0.109 463 HG3 MET 60 1HG MET 60 -11.171 -0.449 0.739 464 HE1 MET 60 3HE MET 60 -13.696 -3.811 -0.674 465 HE2 MET 60 1HE MET 60 -12.490 -3.697 0.608 466 HE3 MET 60 2HE MET 60 -11.993 -3.601 -1.082 467 HA PRO 61 HA PRO 61 -7.730 1.368 -5.043 468 HB2 PRO 61 2HB PRO 61 -9.773 0.211 -6.778 469 HB3 PRO 61 1HB PRO 61 -8.027 -0.043 -6.792 470 HG2 PRO 61 2HG PRO 61 -9.794 -1.960 -6.027 471 HG3 PRO 61 1HG PRO 61 -8.147 -1.848 -5.382 472 HD2 PRO 61 2HD PRO 61 -10.730 -0.993 -4.147 473 HD3 PRO 61 1HD PRO 61 -9.314 -1.757 -3.395 474 HA PRO 62 HA PRO 62 -10.420 4.854 -5.372 475 HB2 PRO 62 2HB PRO 62 -9.383 6.016 -7.597 476 HB3 PRO 62 1HB PRO 62 -8.593 6.075 -6.021 477 HG2 PRO 62 2HG PRO 62 -8.037 4.300 -8.361 478 HG3 PRO 62 1HG PRO 62 -6.895 5.111 -7.274 479 HD2 PRO 62 2HD PRO 62 -7.527 2.486 -7.043 480 HD3 PRO 62 1HD PRO 62 -7.103 3.497 -5.649 481 H GLN 63 H GLN 63 -11.455 6.132 -7.417 482 HA GLN 63 HA GLN 63 -12.671 4.155 -9.209 483 HB2 GLN 63 2HB GLN 63 -14.002 5.731 -7.128 484 HB3 GLN 63 1HB GLN 63 -14.753 5.890 -8.710 485 HG2 GLN 63 2HG GLN 63 -15.458 3.738 -8.748 486 HG3 GLN 63 1HG GLN 63 -14.088 3.154 -7.805 487 HE21 GLN 63 1HE2 GLN 63 -16.434 5.705 -7.104 488 HE22 GLN 63 2HE2 GLN 63 -17.037 4.995 -5.649 489 H ALA 64 H ALA 64 -14.344 5.681 -10.647 490 HA ALA 64 HA ALA 64 -12.688 7.028 -12.435 491 HB1 ALA 64 1HB ALA 64 -14.957 8.057 -13.201 492 HB2 ALA 64 2HB ALA 64 -15.644 6.928 -12.032 493 HB3 ALA 64 3HB ALA 64 -14.671 6.325 -13.374 494 H GLY 65 H GLY 65 -11.405 8.556 -11.392 495 HA2 GLY 65 2HA GLY 65 -11.620 11.104 -11.470 496 HA3 GLY 65 1HA GLY 65 -12.823 10.857 -10.213 497 H MET 66 H MET 66 -11.228 8.624 -9.056 498 HA MET 66 HA MET 66 -9.289 10.305 -7.626 499 HB2 MET 66 2HB MET 66 -10.965 7.960 -6.835 500 HB3 MET 66 1HB MET 66 -9.450 8.245 -5.988 501 HG2 MET 66 2HG MET 66 -10.490 10.708 -5.870 502 HG3 MET 66 1HG MET 66 -11.976 9.762 -5.926 503 HE1 MET 66 3HE MET 66 -12.753 10.323 -3.045 504 HE2 MET 66 1HE MET 66 -12.606 8.616 -2.627 505 HE3 MET 66 2HE MET 66 -13.095 9.084 -4.254 506 H GLU 67 H GLU 67 -9.473 7.788 -9.879 507 HA GLU 67 HA GLU 67 -7.362 6.117 -9.226 508 HB2 GLU 67 2HB GLU 67 -7.173 5.696 -11.667 509 HB3 GLU 67 1HB GLU 67 -8.825 5.605 -11.071 510 HG2 GLU 67 2HG GLU 67 -9.259 7.852 -11.917 511 HG3 GLU 67 1HG GLU 67 -7.601 7.950 -12.508 512 H LYS 68 H LYS 68 -7.311 9.392 -10.356 513 HA LYS 68 HA LYS 68 -4.499 9.300 -11.065 514 HB2 LYS 68 2HB LYS 68 -4.845 11.783 -11.439 515 HB3 LYS 68 1HB LYS 68 -5.792 10.709 -12.460 516 HG2 LYS 68 2HG LYS 68 -7.759 11.345 -11.546 517 HG3 LYS 68 1HG LYS 68 -7.061 11.599 -9.945 518 HD2 LYS 68 2HD LYS 68 -5.825 13.557 -11.338 519 HD3 LYS 68 1HD LYS 68 -7.359 13.466 -12.206 520 HE2 LYS 68 2HE LYS 68 -8.545 13.690 -10.043 521 HE3 LYS 68 1HE LYS 68 -6.986 13.894 -9.244 522 HZ1 LYS 68 3HZ LYS 68 -6.810 15.752 -11.133 523 HZ2 LYS 68 1HZ LYS 68 -7.437 16.056 -9.590 524 HZ3 LYS 68 2HZ LYS 68 -8.484 15.762 -10.887 525 H GLU 69 H GLU 69 -6.318 9.756 -8.243 526 HA GLU 69 HA GLU 69 -4.508 11.575 -6.955 527 HB2 GLU 69 2HB GLU 69 -6.695 11.804 -6.187 528 HB3 GLU 69 1HB GLU 69 -6.980 10.071 -6.171 529 HG2 GLU 69 2HG GLU 69 -6.445 9.943 -4.036 530 HG3 GLU 69 1HG GLU 69 -4.901 10.735 -4.326 531 HA PRO 70 HA PRO 70 -1.661 8.451 -5.600 532 HB2 PRO 70 2HB PRO 70 -0.409 9.816 -3.632 533 HB3 PRO 70 1HB PRO 70 -0.158 10.177 -5.344 534 HG2 PRO 70 2HG PRO 70 -1.911 11.565 -3.353 535 HG3 PRO 70 1HG PRO 70 -0.839 12.266 -4.580 536 HD2 PRO 70 2HD PRO 70 -3.523 12.040 -4.925 537 HD3 PRO 70 1HD PRO 70 -2.369 11.964 -6.271 538 H VAL 71 H VAL 71 -0.960 7.328 -3.592 539 HA VAL 71 HA VAL 71 -3.190 6.402 -2.134 540 HB VAL 71 HB VAL 71 -1.388 5.308 -0.665 541 HG11 VAL 71 1HG1 VAL 71 -0.702 3.796 -2.627 542 HG12 VAL 71 2HG1 VAL 71 -1.738 4.837 -3.603 543 HG13 VAL 71 3HG1 VAL 71 -2.417 3.941 -2.243 544 HG21 VAL 71 3HG2 VAL 71 0.481 6.060 -2.876 545 HG22 VAL 71 1HG2 VAL 71 0.846 5.407 -1.279 546 HG23 VAL 71 2HG2 VAL 71 0.318 7.081 -1.448 547 HA PRO 72 HA PRO 72 -3.370 9.054 1.398 548 HB2 PRO 72 2HB PRO 72 -3.983 7.386 3.411 549 HB3 PRO 72 1HB PRO 72 -5.108 7.688 2.084 550 HG2 PRO 72 2HG PRO 72 -3.214 5.393 2.460 551 HG3 PRO 72 1HG PRO 72 -4.929 5.354 2.009 552 HD2 PRO 72 2HD PRO 72 -2.954 5.151 0.181 553 HD3 PRO 72 1HD PRO 72 -4.496 5.950 -0.181 554 H LEU 73 H LEU 73 -0.802 6.986 1.040 555 HA LEU 73 HA LEU 73 0.368 7.596 3.653 556 HB2 LEU 73 2HB LEU 73 1.763 5.875 1.673 557 HB3 LEU 73 1HB LEU 73 1.691 5.741 3.421 558 HG LEU 73 HG LEU 73 -0.681 5.138 1.668 559 HD11 LEU 73 1HD1 LEU 73 -0.115 2.798 1.802 560 HD12 LEU 73 2HD1 LEU 73 1.360 3.181 2.689 561 HD13 LEU 73 3HD1 LEU 73 1.183 3.692 1.012 562 HD21 LEU 73 3HD2 LEU 73 -1.459 5.397 3.822 563 HD22 LEU 73 1HD2 LEU 73 0.017 4.759 4.546 564 HD23 LEU 73 2HD2 LEU 73 -1.124 3.667 3.763 565 H GLN 74 H GLN 74 2.549 8.383 3.791 566 HA GLN 74 HA GLN 74 3.531 9.762 1.395 567 HB2 GLN 74 2HB GLN 74 3.048 10.992 4.106 568 HB3 GLN 74 1HB GLN 74 4.084 11.730 2.893 569 HG2 GLN 74 2HG GLN 74 1.153 11.123 2.578 570 HG3 GLN 74 1HG GLN 74 1.861 12.710 2.880 571 HE21 GLN 74 1HE2 GLN 74 0.217 11.804 0.655 572 HE22 GLN 74 2HE2 GLN 74 1.148 12.077 -0.775 573 H HIS 75 H HIS 75 5.733 10.900 2.102 574 HA HIS 75 HA HIS 75 7.588 8.857 2.487 575 HB2 HIS 75 2HB HIS 75 7.882 11.231 1.483 576 HB3 HIS 75 1HB HIS 75 8.216 11.722 3.140 577 HD1 HIS 75 1HD HIS 75 9.772 8.925 3.726 578 HD2 HIS 75 2HD HIS 75 10.545 11.696 0.728 579 HE1 HIS 75 1HE HIS 75 12.178 8.570 3.087 580 HE2 HIS 75 2HE HIS 75 12.594 10.192 1.204 581 H GLY 76 H GLY 76 7.744 7.670 4.274 582 HA2 GLY 76 2HA GLY 76 8.746 7.546 6.470 583 HA3 GLY 76 1HA GLY 76 8.012 9.099 6.839 584 H ASP 77 H ASP 77 5.907 7.045 5.146 585 HA ASP 77 HA ASP 77 4.354 6.644 7.574 586 HB2 ASP 77 2HB ASP 77 3.667 7.227 4.943 587 HB3 ASP 77 1HB ASP 77 3.190 5.545 5.141 588 H ARG 78 H ARG 78 2.989 4.447 7.331 589 HA ARG 78 HA ARG 78 4.770 2.218 6.701 590 HB2 ARG 78 2HB ARG 78 4.202 1.162 8.920 591 HB3 ARG 78 1HB ARG 78 5.285 2.545 9.008 592 HG2 ARG 78 2HG ARG 78 2.391 3.089 9.295 593 HG3 ARG 78 1HG ARG 78 3.191 2.242 10.621 594 HD2 ARG 78 2HD ARG 78 4.558 4.627 9.517 595 HD3 ARG 78 1HD ARG 78 3.089 4.906 10.451 596 HE ARG 78 HE ARG 78 4.960 3.153 11.748 597 HH11 ARG 78 1HH1 ARG 78 4.069 6.485 11.215 598 HH12 ARG 78 2HH1 ARG 78 4.825 7.050 12.667 599 HH21 ARG 78 1HH2 ARG 78 5.954 3.894 13.657 600 HH22 ARG 78 2HH2 ARG 78 5.896 5.579 14.054 601 H ILE 79 H ILE 79 3.711 0.297 6.236 602 HA ILE 79 HA ILE 79 0.802 0.270 6.442 603 HB ILE 79 HB ILE 79 0.854 -0.628 3.982 604 HG12 ILE 79 2HG1 ILE 79 3.227 1.246 4.027 605 HG13 ILE 79 1HG1 ILE 79 3.294 -0.486 3.721 606 HG21 ILE 79 1HG2 ILE 79 1.071 2.330 4.444 607 HG22 ILE 79 2HG2 ILE 79 -0.322 1.372 4.942 608 HG23 ILE 79 3HG2 ILE 79 0.105 1.482 3.236 609 HD11 ILE 79 3HD1 ILE 79 2.966 -0.126 1.569 610 HD12 ILE 79 1HD1 ILE 79 2.933 1.610 1.874 611 HD13 ILE 79 2HD1 ILE 79 1.436 0.678 1.915 612 H THR 80 H THR 80 -0.140 -1.813 5.875 613 HA THR 80 HA THR 80 1.752 -4.045 6.154 614 HB THR 80 HB THR 80 -0.910 -3.761 7.554 615 HG1 THR 80 1HG THR 80 0.198 -3.179 9.244 616 HG21 THR 80 3HG2 THR 80 1.094 -5.948 7.987 617 HG22 THR 80 1HG2 THR 80 -0.254 -6.107 6.860 618 HG23 THR 80 2HG2 THR 80 -0.565 -5.841 8.576 619 H ILE 81 H ILE 81 1.483 -5.632 4.723 620 HA ILE 81 HA ILE 81 -0.851 -5.499 2.956 621 HB ILE 81 HB ILE 81 1.685 -7.056 2.484 622 HG12 ILE 81 2HG1 ILE 81 2.282 -4.714 2.695 623 HG13 ILE 81 1HG1 ILE 81 2.350 -5.179 0.999 624 HG21 ILE 81 1HG2 ILE 81 0.866 -6.717 0.071 625 HG22 ILE 81 2HG2 ILE 81 -0.686 -6.317 0.808 626 HG23 ILE 81 3HG2 ILE 81 0.034 -7.903 1.078 627 HD11 ILE 81 3HD1 ILE 81 -0.121 -4.257 1.018 628 HD12 ILE 81 1HD1 ILE 81 1.270 -3.191 0.821 629 HD13 ILE 81 2HD1 ILE 81 0.491 -3.343 2.396 630 H GLU 82 H GLU 82 -1.902 -7.448 2.299 631 HA GLU 82 HA GLU 82 -1.459 -9.767 4.040 632 HB2 GLU 82 2HB GLU 82 -3.267 -8.887 5.184 633 HB3 GLU 82 1HB GLU 82 -3.980 -8.188 3.740 634 HG2 GLU 82 2HG GLU 82 -4.742 -10.346 3.007 635 HG3 GLU 82 1HG GLU 82 -3.894 -11.137 4.332 636 H ILE 83 H ILE 83 -1.080 -11.453 2.801 637 HA ILE 83 HA ILE 83 -1.553 -11.509 0.025 638 HB ILE 83 HB ILE 83 -0.960 -13.809 1.893 639 HG12 ILE 83 2HG1 ILE 83 1.263 -13.251 0.297 640 HG13 ILE 83 1HG1 ILE 83 0.657 -11.667 0.769 641 HG21 ILE 83 1HG2 ILE 83 -0.181 -14.947 -0.187 642 HG22 ILE 83 2HG2 ILE 83 -0.904 -13.633 -1.116 643 HG23 ILE 83 3HG2 ILE 83 -1.923 -14.675 -0.123 644 HD11 ILE 83 3HD1 ILE 83 2.220 -13.481 2.267 645 HD12 ILE 83 1HD1 ILE 83 0.656 -13.328 3.065 646 HD13 ILE 83 2HD1 ILE 83 1.623 -11.890 2.740 647 H LEU 84 H LEU 84 -3.497 -11.539 -0.838 648 HA LEU 84 HA LEU 84 -5.776 -12.675 0.470 649 HB2 LEU 84 2HB LEU 84 -5.650 -11.826 -2.408 650 HB3 LEU 84 1HB LEU 84 -7.038 -11.833 -1.337 651 HG LEU 84 HG LEU 84 -4.684 -9.950 -1.214 652 HD11 LEU 84 1HD1 LEU 84 -6.781 -8.358 -1.456 653 HD12 LEU 84 2HD1 LEU 84 -7.455 -9.778 -2.254 654 HD13 LEU 84 3HD1 LEU 84 -5.967 -9.050 -2.860 655 HD21 LEU 84 3HD2 LEU 84 -5.281 -9.277 0.833 656 HD22 LEU 84 1HD2 LEU 84 -6.122 -10.822 0.947 657 HD23 LEU 84 2HD2 LEU 84 -7.003 -9.374 0.466 658 H LYS 85 H LYS 85 -7.273 -14.115 -0.918 659 HA LYS 85 HA LYS 85 -5.707 -16.463 -1.662 660 HB2 LYS 85 2HB LYS 85 -8.474 -15.990 -0.683 661 HB3 LYS 85 1HB LYS 85 -8.224 -17.374 -1.738 662 HG2 LYS 85 2HG LYS 85 -6.755 -16.842 0.837 663 HG3 LYS 85 1HG LYS 85 -8.075 -17.993 0.614 664 HD2 LYS 85 2HD LYS 85 -6.664 -19.544 -0.128 665 HD3 LYS 85 1HD LYS 85 -6.033 -18.446 -1.357 666 HE2 LYS 85 2HE LYS 85 -4.125 -18.803 -0.161 667 HE3 LYS 85 1HE LYS 85 -4.768 -17.422 0.728 668 HZ1 LYS 85 3HZ LYS 85 -3.981 -19.509 2.004 669 HZ2 LYS 85 1HZ LYS 85 -5.482 -20.153 1.559 670 HZ3 LYS 85 2HZ LYS 85 -5.409 -18.738 2.483 671 H GLY 86 H GLY 86 -5.057 -16.174 -3.730 672 HA2 GLY 86 2HA GLY 86 -6.672 -15.060 -5.783 673 HA3 GLY 86 1HA GLY 86 -5.179 -15.958 -6.017 Start of MODEL 15 1 H1 LYS 6 H LYS 6 14.445 8.114 -3.984 2 HA LYS 6 HA LYS 6 13.975 10.883 -4.665 3 HB2 LYS 6 2HB LYS 6 14.445 9.265 -6.784 4 HB3 LYS 6 1HB LYS 6 12.710 9.044 -6.604 5 HG2 LYS 6 2HG LYS 6 12.232 11.204 -7.169 6 HG3 LYS 6 1HG LYS 6 13.784 11.814 -6.593 7 HD2 LYS 6 2HD LYS 6 14.891 11.203 -8.531 8 HD3 LYS 6 1HD LYS 6 13.694 9.974 -8.946 9 HE2 LYS 6 2HE LYS 6 13.167 11.606 -10.468 10 HE3 LYS 6 1HE LYS 6 12.097 12.044 -9.138 11 HZ1 LYS 6 3HZ LYS 6 13.043 14.049 -9.573 12 HZ2 LYS 6 1HZ LYS 6 14.508 13.390 -10.106 13 HZ3 LYS 6 2HZ LYS 6 14.170 13.474 -8.451 14 H GLU 7 H GLU 7 11.442 10.955 -5.365 15 HA GLU 7 HA GLU 7 9.395 11.045 -4.376 16 HB2 GLU 7 2HB GLU 7 9.417 8.097 -4.051 17 HB3 GLU 7 1HB GLU 7 8.210 9.142 -4.781 18 HG2 GLU 7 2HG GLU 7 10.749 8.107 -5.990 19 HG3 GLU 7 1HG GLU 7 9.091 7.818 -6.511 20 H LYS 8 H LYS 8 8.162 9.227 -2.641 21 HA LYS 8 HA LYS 8 9.502 9.938 -0.133 22 HB2 LYS 8 2HB LYS 8 7.299 9.446 0.920 23 HB3 LYS 8 1HB LYS 8 7.238 10.747 -0.258 24 HG2 LYS 8 2HG LYS 8 6.666 8.409 -1.681 25 HG3 LYS 8 1HG LYS 8 5.765 8.287 -0.171 26 HD2 LYS 8 2HD LYS 8 5.045 10.712 -0.654 27 HD3 LYS 8 1HD LYS 8 5.605 10.396 -2.297 28 HE2 LYS 8 2HE LYS 8 3.365 9.090 -0.788 29 HE3 LYS 8 1HE LYS 8 3.315 9.907 -2.349 30 HZ1 LYS 8 3HZ LYS 8 3.926 7.173 -1.733 31 HZ2 LYS 8 1HZ LYS 8 5.068 7.882 -2.760 32 HZ3 LYS 8 2HZ LYS 8 3.434 7.866 -3.195 33 H LYS 9 H LYS 9 9.712 8.386 1.546 34 HA LYS 9 HA LYS 9 9.829 5.628 0.536 35 HB2 LYS 9 2HB LYS 9 12.020 6.471 1.127 36 HB3 LYS 9 1HB LYS 9 11.440 6.978 2.708 37 HG2 LYS 9 2HG LYS 9 10.953 4.165 2.261 38 HG3 LYS 9 1HG LYS 9 12.660 4.570 2.063 39 HD2 LYS 9 2HD LYS 9 11.263 5.732 4.404 40 HD3 LYS 9 1HD LYS 9 11.573 3.994 4.436 41 HE2 LYS 9 2HE LYS 9 13.449 4.971 5.458 42 HE3 LYS 9 1HE LYS 9 13.972 4.570 3.823 43 HZ1 LYS 9 3HZ LYS 9 13.158 7.249 4.810 44 HZ2 LYS 9 1HZ LYS 9 13.533 6.893 3.198 45 HZ3 LYS 9 2HZ LYS 9 14.723 6.760 4.392 46 H ILE 10 H ILE 10 8.652 4.095 1.484 47 HA ILE 10 HA ILE 10 7.465 4.676 4.107 48 HB ILE 10 HB ILE 10 5.707 3.092 2.408 49 HG12 ILE 10 2HG1 ILE 10 6.579 5.818 1.502 50 HG13 ILE 10 1HG1 ILE 10 6.246 4.383 0.541 51 HG21 ILE 10 1HG2 ILE 10 5.463 4.435 4.696 52 HG22 ILE 10 2HG2 ILE 10 4.094 4.110 3.633 53 HG23 ILE 10 3HG2 ILE 10 4.895 5.682 3.585 54 HD11 ILE 10 3HD1 ILE 10 4.490 5.815 0.051 55 HD12 ILE 10 1HD1 ILE 10 4.324 6.343 1.726 56 HD13 ILE 10 2HD1 ILE 10 3.806 4.724 1.256 57 H ARG 11 H ARG 11 6.592 2.726 5.185 58 HA ARG 11 HA ARG 11 8.375 0.453 4.672 59 HB2 ARG 11 2HB ARG 11 8.475 1.480 6.914 60 HB3 ARG 11 1HB ARG 11 6.768 1.125 7.144 61 HG2 ARG 11 2HG ARG 11 7.304 -1.293 6.887 62 HG3 ARG 11 1HG ARG 11 9.014 -0.857 6.856 63 HD2 ARG 11 2HD ARG 11 7.079 -0.309 9.104 64 HD3 ARG 11 1HD ARG 11 8.321 -1.561 9.088 65 HE ARG 11 HE ARG 11 9.352 1.087 8.668 66 HH11 ARG 11 1HH1 ARG 11 8.425 -1.270 11.069 67 HH12 ARG 11 2HH1 ARG 11 9.444 -0.601 12.300 68 HH21 ARG 11 1HH2 ARG 11 10.693 1.968 10.284 69 HH22 ARG 11 2HH2 ARG 11 10.731 1.237 11.855 70 H ILE 12 H ILE 12 7.585 -1.677 4.650 71 HA ILE 12 HA ILE 12 4.671 -1.949 4.369 72 HB ILE 12 HB ILE 12 6.690 -3.294 2.573 73 HG12 ILE 12 2HG1 ILE 12 4.654 -1.369 1.548 74 HG13 ILE 12 1HG1 ILE 12 6.085 -0.712 2.334 75 HG21 ILE 12 1HG2 ILE 12 4.655 -3.996 1.329 76 HG22 ILE 12 2HG2 ILE 12 3.681 -3.339 2.643 77 HG23 ILE 12 3HG2 ILE 12 4.777 -4.687 2.947 78 HD11 ILE 12 3HD1 ILE 12 7.502 -1.921 0.745 79 HD12 ILE 12 1HD1 ILE 12 6.387 -0.825 -0.070 80 HD13 ILE 12 2HD1 ILE 12 6.062 -2.559 -0.047 81 H THR 13 H THR 13 3.803 -3.919 5.020 82 HA THR 13 HA THR 13 5.581 -6.011 5.942 83 HB THR 13 HB THR 13 3.597 -5.115 7.966 84 HG1 THR 13 1HG THR 13 6.119 -3.882 7.567 85 HG21 THR 13 3HG2 THR 13 4.636 -6.801 8.968 86 HG22 THR 13 1HG2 THR 13 5.947 -5.648 9.223 87 HG23 THR 13 2HG2 THR 13 5.997 -6.752 7.848 88 H THR 14 H THR 14 4.748 -7.859 5.252 89 HA THR 14 HA THR 14 1.905 -8.004 4.669 90 HB THR 14 HB THR 14 2.351 -9.731 3.238 91 HG1 THR 14 1HG THR 14 3.280 -11.381 4.092 92 HG21 THR 14 3HG2 THR 14 4.253 -9.305 1.954 93 HG22 THR 14 1HG2 THR 14 5.156 -8.696 3.340 94 HG23 THR 14 2HG2 THR 14 3.824 -7.752 2.672 95 H ASN 15 H ASN 15 0.491 -9.379 5.541 96 HA ASN 15 HA ASN 15 0.566 -9.988 8.213 97 HB2 ASN 15 2HB ASN 15 -1.309 -11.595 7.699 98 HB3 ASN 15 1HB ASN 15 -1.527 -9.966 7.065 99 HD21 ASN 15 1HD2 ASN 15 -3.010 -11.929 6.010 100 HD22 ASN 15 2HD2 ASN 15 -2.469 -12.324 4.418 101 H ASP 16 H ASP 16 1.880 -11.843 5.566 102 HA ASP 16 HA ASP 16 2.026 -14.346 6.824 103 HB2 ASP 16 2HB ASP 16 2.867 -13.262 4.381 104 HB3 ASP 16 1HB ASP 16 4.333 -13.872 5.143 105 H GLY 17 H GLY 17 3.723 -11.440 7.444 106 HA2 GLY 17 2HA GLY 17 4.883 -11.275 9.560 107 HA3 GLY 17 1HA GLY 17 5.474 -12.909 9.304 108 H ARG 18 H ARG 18 5.441 -10.505 6.746 109 HA ARG 18 HA ARG 18 8.358 -10.208 7.073 110 HB2 ARG 18 2HB ARG 18 8.802 -10.653 4.818 111 HB3 ARG 18 1HB ARG 18 7.641 -11.889 5.275 112 HG2 ARG 18 2HG ARG 18 5.855 -10.458 4.285 113 HG3 ARG 18 1HG ARG 18 7.125 -9.399 3.675 114 HD2 ARG 18 2HD ARG 18 6.394 -10.997 1.973 115 HD3 ARG 18 1HD ARG 18 8.081 -11.237 2.417 116 HE ARG 18 HE ARG 18 7.524 -13.261 3.407 117 HH11 ARG 18 1HH1 ARG 18 4.642 -11.597 2.347 118 HH12 ARG 18 2HH1 ARG 18 3.654 -13.017 2.405 119 HH21 ARG 18 1HH2 ARG 18 6.229 -15.126 3.474 120 HH22 ARG 18 2HH2 ARG 18 4.558 -15.022 3.032 121 H GLN 19 H GLN 19 9.275 -8.294 6.074 122 HA GLN 19 HA GLN 19 7.361 -6.211 5.341 123 HB2 GLN 19 2HB GLN 19 8.918 -4.692 6.890 124 HB3 GLN 19 1HB GLN 19 7.462 -5.469 7.488 125 HG2 GLN 19 2HG GLN 19 8.597 -6.764 8.898 126 HG3 GLN 19 1HG GLN 19 9.821 -7.161 7.693 127 HE21 GLN 19 1HE2 GLN 19 8.910 -5.022 10.260 128 HE22 GLN 19 2HE2 GLN 19 10.439 -4.236 10.429 129 H SER 20 H SER 20 8.345 -4.313 4.396 130 HA SER 20 HA SER 20 11.109 -4.325 3.661 131 HB2 SER 20 2HB SER 20 9.074 -4.807 1.472 132 HB3 SER 20 1HB SER 20 10.806 -4.574 1.255 133 HG SER 20 HG SER 20 9.455 -6.753 2.435 134 H MET 21 H MET 21 11.720 -2.408 2.486 135 HA MET 21 HA MET 21 9.749 -0.249 2.799 136 HB2 MET 21 2HB MET 21 11.527 1.269 3.150 137 HB3 MET 21 1HB MET 21 11.933 -0.154 4.095 138 HG2 MET 21 2HG MET 21 13.017 0.174 1.329 139 HG3 MET 21 1HG MET 21 13.754 1.020 2.684 140 HE1 MET 21 3HE MET 21 14.646 -2.003 0.604 141 HE2 MET 21 1HE MET 21 12.913 -2.114 0.912 142 HE3 MET 21 2HE MET 21 14.003 -3.344 1.554 143 H VAL 22 H VAL 22 9.800 1.508 1.238 144 HA VAL 22 HA VAL 22 10.872 0.823 -1.385 145 HB VAL 22 HB VAL 22 8.639 1.343 -2.426 146 HG11 VAL 22 1HG1 VAL 22 8.789 -1.128 -0.710 147 HG12 VAL 22 2HG1 VAL 22 9.540 -0.929 -2.292 148 HG13 VAL 22 3HG1 VAL 22 7.783 -0.918 -2.142 149 HG21 VAL 22 3HG2 VAL 22 7.637 2.389 -0.435 150 HG22 VAL 22 1HG2 VAL 22 7.620 0.814 0.358 151 HG23 VAL 22 2HG2 VAL 22 6.644 1.085 -1.085 152 H THR 23 H THR 23 10.294 2.617 -2.995 153 HA THR 23 HA THR 23 10.523 5.222 -1.633 154 HB THR 23 HB THR 23 12.537 4.376 -2.945 155 HG1 THR 23 1HG THR 23 12.136 6.609 -2.457 156 HG21 THR 23 3HG2 THR 23 10.842 3.747 -4.921 157 HG22 THR 23 1HG2 THR 23 12.546 4.125 -5.179 158 HG23 THR 23 2HG2 THR 23 11.319 5.366 -5.433 159 H LEU 24 H LEU 24 8.047 4.218 -2.050 160 HA LEU 24 HA LEU 24 6.575 4.435 -4.239 161 HB2 LEU 24 2HB LEU 24 6.025 4.495 -1.580 162 HB3 LEU 24 1HB LEU 24 5.452 6.076 -2.073 163 HG LEU 24 HG LEU 24 3.999 5.013 -3.758 164 HD11 LEU 24 1HD1 LEU 24 5.653 2.849 -3.501 165 HD12 LEU 24 2HD1 LEU 24 4.080 2.844 -4.298 166 HD13 LEU 24 3HD1 LEU 24 4.218 2.335 -2.615 167 HD21 LEU 24 3HD2 LEU 24 2.913 5.503 -1.740 168 HD22 LEU 24 1HD2 LEU 24 3.734 4.202 -0.881 169 HD23 LEU 24 2HD2 LEU 24 2.494 3.824 -2.075 170 H LYS 25 H LYS 25 5.939 5.848 -5.728 171 HA LYS 25 HA LYS 25 7.242 8.361 -5.967 172 HB2 LYS 25 2HB LYS 25 5.749 6.606 -7.649 173 HB3 LYS 25 1HB LYS 25 5.048 8.214 -7.770 174 HG2 LYS 25 2HG LYS 25 7.847 8.528 -7.890 175 HG3 LYS 25 1HG LYS 25 7.426 7.192 -8.962 176 HD2 LYS 25 2HD LYS 25 7.395 9.358 -10.126 177 HD3 LYS 25 1HD LYS 25 5.804 8.592 -10.108 178 HE2 LYS 25 2HE LYS 25 4.900 10.284 -8.968 179 HE3 LYS 25 1HE LYS 25 6.224 10.307 -7.804 180 HZ1 LYS 25 3HZ LYS 25 7.535 11.566 -9.442 181 HZ2 LYS 25 1HZ LYS 25 6.137 12.390 -8.961 182 HZ3 LYS 25 2HZ LYS 25 6.190 11.622 -10.467 183 H SER 26 H SER 26 6.396 10.439 -5.854 184 HA SER 26 HA SER 26 4.613 11.035 -3.834 185 HB2 SER 26 2HB SER 26 4.547 13.309 -4.741 186 HB3 SER 26 1HB SER 26 6.188 12.665 -4.810 187 HG SER 26 HG SER 26 5.768 13.585 -6.778 188 H SER 27 H SER 27 3.969 10.729 -7.303 189 HA SER 27 HA SER 27 1.106 11.089 -6.809 190 HB2 SER 27 2HB SER 27 2.261 10.636 -9.538 191 HB3 SER 27 1HB SER 27 0.858 11.594 -9.063 192 HG SER 27 HG SER 27 3.140 12.563 -9.610 193 H THR 28 H THR 28 2.326 8.737 -5.812 194 HA THR 28 HA THR 28 1.683 6.593 -7.650 195 HB THR 28 HB THR 28 2.810 6.690 -4.859 196 HG1 THR 28 1HG THR 28 3.801 5.757 -7.344 197 HG21 THR 28 3HG2 THR 28 1.452 4.447 -6.085 198 HG22 THR 28 1HG2 THR 28 2.053 4.651 -4.439 199 HG23 THR 28 2HG2 THR 28 3.138 4.093 -5.713 200 H THR 29 H THR 29 -0.436 6.255 -7.949 201 HA THR 29 HA THR 29 -2.352 6.595 -5.825 202 HB THR 29 HB THR 29 -3.146 7.164 -7.987 203 HG1 THR 29 1HG THR 29 -4.799 5.519 -8.328 204 HG21 THR 29 3HG2 THR 29 -2.245 6.271 -9.795 205 HG22 THR 29 1HG2 THR 29 -3.243 4.846 -9.509 206 HG23 THR 29 2HG2 THR 29 -1.598 4.910 -8.876 207 H PHE 30 H PHE 30 -4.049 4.672 -5.677 208 HA PHE 30 HA PHE 30 -2.939 2.644 -4.209 209 HB2 PHE 30 2HB PHE 30 -5.331 3.071 -4.195 210 HB3 PHE 30 1HB PHE 30 -5.466 2.542 -5.869 211 HD1 PHE 30 1HD PHE 30 -4.322 1.294 -2.548 212 HD2 PHE 30 2HD PHE 30 -6.117 0.378 -6.297 213 HE1 PHE 30 1HE PHE 30 -4.733 -1.009 -1.785 214 HE2 PHE 30 2HE PHE 30 -6.534 -1.925 -5.539 215 HZ PHE 30 HZ PHE 30 -5.842 -2.621 -3.280 216 H PHE 31 H PHE 31 -3.670 2.602 -7.680 217 HA PHE 31 HA PHE 31 -2.895 -0.061 -8.155 218 HB2 PHE 31 2HB PHE 31 -2.762 2.267 -10.082 219 HB3 PHE 31 1HB PHE 31 -2.805 0.560 -10.507 220 HD1 PHE 31 2HD PHE 31 -4.859 -0.740 -10.229 221 HD2 PHE 31 1HD PHE 31 -4.748 3.445 -9.465 222 HE1 PHE 31 2HE PHE 31 -7.317 -0.664 -10.308 223 HE2 PHE 31 1HE PHE 31 -7.206 3.529 -9.543 224 HZ PHE 31 HZ PHE 31 -8.493 1.473 -9.966 225 H GLU 32 H GLU 32 -1.092 2.986 -8.368 226 HA GLU 32 HA GLU 32 1.324 1.882 -9.298 227 HB2 GLU 32 2HB GLU 32 0.590 4.421 -7.884 228 HB3 GLU 32 1HB GLU 32 2.284 4.012 -8.120 229 HG2 GLU 32 2HG GLU 32 1.142 3.613 -10.610 230 HG3 GLU 32 1HG GLU 32 0.351 5.064 -9.994 231 H LEU 33 H LEU 33 -0.057 2.180 -6.102 232 HA LEU 33 HA LEU 33 2.350 1.538 -4.692 233 HB2 LEU 33 2HB LEU 33 0.722 2.780 -3.503 234 HB3 LEU 33 1HB LEU 33 -0.554 1.649 -3.912 235 HG LEU 33 HG LEU 33 0.320 0.002 -2.396 236 HD11 LEU 33 1HD1 LEU 33 2.537 1.883 -1.644 237 HD12 LEU 33 2HD1 LEU 33 2.736 0.624 -2.864 238 HD13 LEU 33 3HD1 LEU 33 2.335 0.188 -1.202 239 HD21 LEU 33 3HD2 LEU 33 -0.065 1.084 -0.321 240 HD22 LEU 33 1HD2 LEU 33 -1.065 1.908 -1.517 241 HD23 LEU 33 2HD2 LEU 33 0.439 2.647 -0.965 242 H GLN 34 H GLN 34 -0.498 -0.271 -5.756 243 HA GLN 34 HA GLN 34 0.079 -2.710 -4.520 244 HB2 GLN 34 2HB GLN 34 -1.373 -2.094 -7.095 245 HB3 GLN 34 1HB GLN 34 -1.301 -3.703 -6.390 246 HG2 GLN 34 2HG GLN 34 -2.181 -1.617 -4.538 247 HG3 GLN 34 1HG GLN 34 -3.249 -1.870 -5.918 248 HE21 GLN 34 1HE2 GLN 34 -1.248 -4.134 -4.073 249 HE22 GLN 34 2HE2 GLN 34 -2.548 -5.164 -3.593 250 H GLU 35 H GLU 35 1.416 -1.205 -7.353 251 HA GLU 35 HA GLU 35 2.683 -3.608 -8.322 252 HB2 GLU 35 2HB GLU 35 1.966 -1.862 -9.887 253 HB3 GLU 35 1HB GLU 35 3.061 -0.718 -9.125 254 HG2 GLU 35 2HG GLU 35 4.796 -1.439 -10.308 255 HG3 GLU 35 1HG GLU 35 4.423 -3.130 -9.974 256 H SER 36 H SER 36 3.446 -1.049 -6.129 257 HA SER 36 HA SER 36 6.283 -1.290 -6.251 258 HB2 SER 36 2HB SER 36 4.316 0.197 -4.655 259 HB3 SER 36 1HB SER 36 5.764 -0.260 -3.756 260 HG SER 36 HG SER 36 5.889 0.968 -6.300 261 H ILE 37 H ILE 37 3.845 -2.441 -3.922 262 HA ILE 37 HA ILE 37 5.596 -3.843 -2.249 263 HB ILE 37 HB ILE 37 2.725 -4.572 -2.848 264 HG12 ILE 37 2HG1 ILE 37 3.210 -3.054 -0.410 265 HG13 ILE 37 1HG1 ILE 37 3.679 -2.153 -1.848 266 HG21 ILE 37 1HG2 ILE 37 2.696 -5.741 -0.826 267 HG22 ILE 37 2HG2 ILE 37 4.188 -4.989 -0.265 268 HG23 ILE 37 3HG2 ILE 37 4.237 -6.184 -1.559 269 HD11 ILE 37 3HD1 ILE 37 0.982 -3.274 -1.168 270 HD12 ILE 37 1HD1 ILE 37 1.401 -2.685 -2.776 271 HD13 ILE 37 2HD1 ILE 37 1.442 -1.587 -1.397 272 H ALA 38 H ALA 38 3.972 -4.786 -5.224 273 HA ALA 38 HA ALA 38 4.489 -7.531 -5.154 274 HB1 ALA 38 1HB ALA 38 4.604 -6.170 -7.781 275 HB2 ALA 38 2HB ALA 38 3.130 -5.971 -6.834 276 HB3 ALA 38 3HB ALA 38 3.683 -7.586 -7.275 277 H ARG 39 H ARG 39 6.631 -4.887 -5.566 278 HA ARG 39 HA ARG 39 8.673 -6.497 -6.883 279 HB2 ARG 39 2HB ARG 39 9.226 -3.752 -5.851 280 HB3 ARG 39 1HB ARG 39 9.814 -4.538 -7.310 281 HG2 ARG 39 2HG ARG 39 7.367 -4.363 -8.113 282 HG3 ARG 39 1HG ARG 39 7.204 -3.166 -6.827 283 HD2 ARG 39 2HD ARG 39 9.297 -2.085 -7.845 284 HD3 ARG 39 1HD ARG 39 8.964 -3.090 -9.255 285 HE ARG 39 HE ARG 39 6.692 -1.570 -8.388 286 HH11 ARG 39 1HH1 ARG 39 9.611 -1.480 -10.298 287 HH12 ARG 39 2HH1 ARG 39 9.043 -0.213 -11.333 288 HH21 ARG 39 1HH2 ARG 39 5.944 0.097 -9.748 289 HH22 ARG 39 2HH2 ARG 39 6.962 0.683 -11.021 290 H GLU 40 H GLU 40 8.205 -4.728 -3.848 291 HA GLU 40 HA GLU 40 10.643 -5.562 -2.673 292 HB2 GLU 40 2HB GLU 40 8.261 -4.064 -1.853 293 HB3 GLU 40 1HB GLU 40 9.005 -4.977 -0.548 294 HG2 GLU 40 2HG GLU 40 10.288 -2.873 -2.269 295 HG3 GLU 40 1HG GLU 40 9.916 -2.778 -0.548 296 H PHE 41 H PHE 41 7.459 -6.966 -2.848 297 HA PHE 41 HA PHE 41 8.404 -9.202 -1.178 298 HB2 PHE 41 2HB PHE 41 5.543 -8.289 -1.525 299 HB3 PHE 41 1HB PHE 41 6.113 -9.577 -0.467 300 HD1 PHE 41 2HD PHE 41 6.378 -5.925 -1.072 301 HD2 PHE 41 1HD PHE 41 6.766 -9.111 1.718 302 HE1 PHE 41 2HE PHE 41 6.693 -4.294 0.742 303 HE2 PHE 41 1HE PHE 41 7.081 -7.486 3.538 304 HZ PHE 41 HZ PHE 41 7.046 -5.078 3.052 305 H ASN 42 H ASN 42 6.563 -11.098 -1.679 306 HA ASN 42 HA ASN 42 6.855 -11.561 -4.572 307 HB2 ASN 42 2HB ASN 42 6.946 -13.461 -2.235 308 HB3 ASN 42 1HB ASN 42 6.697 -14.024 -3.885 309 HD21 ASN 42 1HD2 ASN 42 8.850 -11.858 -2.076 310 HD22 ASN 42 2HD2 ASN 42 10.300 -12.360 -2.871 311 H ILE 43 H ILE 43 4.676 -10.134 -3.941 312 HA ILE 43 HA ILE 43 2.521 -12.062 -4.390 313 HB ILE 43 HB ILE 43 2.227 -9.708 -2.523 314 HG12 ILE 43 2HG1 ILE 43 1.766 -11.953 -1.026 315 HG13 ILE 43 1HG1 ILE 43 3.077 -12.489 -2.071 316 HG21 ILE 43 1HG2 ILE 43 0.228 -10.504 -3.864 317 HG22 ILE 43 2HG2 ILE 43 0.033 -10.467 -2.113 318 HG23 ILE 43 3HG2 ILE 43 0.325 -12.000 -2.934 319 HD11 ILE 43 3HD1 ILE 43 3.078 -10.164 -0.173 320 HD12 ILE 43 1HD1 ILE 43 4.349 -10.461 -1.359 321 HD13 ILE 43 2HD1 ILE 43 4.039 -11.640 -0.084 322 HA PRO 44 HA PRO 44 1.688 -9.255 -7.722 323 HB2 PRO 44 2HB PRO 44 -0.779 -10.165 -8.405 324 HB3 PRO 44 1HB PRO 44 0.711 -11.026 -8.805 325 HG2 PRO 44 2HG PRO 44 -1.220 -11.518 -6.576 326 HG3 PRO 44 1HG PRO 44 -0.397 -12.688 -7.622 327 HD2 PRO 44 2HD PRO 44 0.433 -12.135 -5.098 328 HD3 PRO 44 1HD PRO 44 1.549 -12.605 -6.392 329 HA PRO 45 HA PRO 45 -0.779 -5.915 -6.258 330 HB2 PRO 45 2HB PRO 45 -2.098 -5.080 -8.497 331 HB3 PRO 45 1HB PRO 45 -0.385 -4.766 -8.198 332 HG2 PRO 45 2HG PRO 45 -1.656 -6.891 -9.880 333 HG3 PRO 45 1HG PRO 45 -0.241 -5.881 -10.232 334 HD2 PRO 45 2HD PRO 45 -0.004 -8.431 -9.392 335 HD3 PRO 45 1HD PRO 45 1.164 -7.176 -8.929 336 H TYR 46 H TYR 46 -2.386 -8.572 -7.816 337 HA TYR 46 HA TYR 46 -5.001 -7.668 -6.882 338 HB2 TYR 46 2HB TYR 46 -5.924 -9.507 -8.173 339 HB3 TYR 46 1HB TYR 46 -4.811 -8.578 -9.171 340 HD1 TYR 46 2HD TYR 46 -2.652 -9.524 -9.835 341 HD2 TYR 46 1HD TYR 46 -5.440 -11.785 -7.552 342 HE1 TYR 46 2HE TYR 46 -1.421 -11.581 -10.380 343 HE2 TYR 46 1HE TYR 46 -4.217 -13.850 -8.091 344 HH TYR 46 HH TYR 46 -1.114 -13.820 -9.546 345 H LEU 47 H LEU 47 -2.560 -8.999 -5.342 346 HA LEU 47 HA LEU 47 -4.309 -10.683 -3.686 347 HB2 LEU 47 2HB LEU 47 -1.526 -11.332 -4.632 348 HB3 LEU 47 1HB LEU 47 -2.272 -12.133 -3.264 349 HG LEU 47 HG LEU 47 -3.282 -12.184 -6.107 350 HD11 LEU 47 1HD1 LEU 47 -2.547 -14.415 -6.211 351 HD12 LEU 47 2HD1 LEU 47 -2.231 -14.477 -4.477 352 HD13 LEU 47 3HD1 LEU 47 -1.198 -13.507 -5.527 353 HD21 LEU 47 3HD2 LEU 47 -4.488 -12.953 -3.531 354 HD22 LEU 47 1HD2 LEU 47 -4.625 -14.136 -4.833 355 HD23 LEU 47 2HD2 LEU 47 -5.252 -12.503 -5.056 356 H GLN 48 H GLN 48 -2.569 -7.939 -3.763 357 HA GLN 48 HA GLN 48 -1.575 -8.235 -1.013 358 HB2 GLN 48 2HB GLN 48 -0.828 -6.252 -3.165 359 HB3 GLN 48 1HB GLN 48 -0.230 -6.193 -1.514 360 HG2 GLN 48 2HG GLN 48 0.923 -8.258 -1.774 361 HG3 GLN 48 1HG GLN 48 0.159 -8.549 -3.335 362 HE21 GLN 48 1HE2 GLN 48 0.442 -6.256 -4.663 363 HE22 GLN 48 2HE2 GLN 48 2.109 -5.854 -4.870 364 H CYS 49 H CYS 49 -2.966 -7.525 0.450 365 HA CYS 49 HA CYS 49 -4.678 -5.226 -0.191 366 HB2 CYS 49 2HB CYS 49 -5.898 -7.190 0.563 367 HB3 CYS 49 1HB CYS 49 -4.889 -7.305 2.000 368 HG CYS 49 HG CYS 49 -6.316 -5.662 3.135 369 H ILE 50 H ILE 50 -3.740 -3.370 0.351 370 HA ILE 50 HA ILE 50 -1.803 -3.193 2.472 371 HB ILE 50 HB ILE 50 -3.012 -0.942 0.869 372 HG12 ILE 50 2HG1 ILE 50 -0.312 -1.891 0.186 373 HG13 ILE 50 1HG1 ILE 50 -1.595 -3.043 -0.174 374 HG21 ILE 50 1HG2 ILE 50 -0.621 -1.177 2.665 375 HG22 ILE 50 2HG2 ILE 50 -1.929 0.005 2.709 376 HG23 ILE 50 3HG2 ILE 50 -0.724 0.072 1.424 377 HD11 ILE 50 3HD1 ILE 50 -1.664 -0.184 -1.085 378 HD12 ILE 50 1HD1 ILE 50 -2.667 -1.528 -1.631 379 HD13 ILE 50 2HD1 ILE 50 -0.951 -1.488 -2.034 380 H ARG 51 H ARG 51 -1.912 -1.881 4.299 381 HA ARG 51 HA ARG 51 -4.499 -0.819 5.113 382 HB2 ARG 51 2HB ARG 51 -2.954 -2.782 6.817 383 HB3 ARG 51 1HB ARG 51 -4.461 -1.986 7.249 384 HG2 ARG 51 2HG ARG 51 -5.226 -3.168 4.970 385 HG3 ARG 51 1HG ARG 51 -3.975 -4.301 5.489 386 HD2 ARG 51 2HD ARG 51 -5.188 -4.104 7.799 387 HD3 ARG 51 1HD ARG 51 -6.543 -3.562 6.812 388 HE ARG 51 HE ARG 51 -6.797 -5.705 6.025 389 HH11 ARG 51 1HH1 ARG 51 -3.746 -5.448 7.703 390 HH12 ARG 51 2HH1 ARG 51 -3.466 -7.156 7.711 391 HH21 ARG 51 1HH2 ARG 51 -6.432 -7.947 6.042 392 HH22 ARG 51 2HH2 ARG 51 -4.989 -8.577 6.766 393 H TYR 52 H TYR 52 -4.340 0.902 6.544 394 HA TYR 52 HA TYR 52 -1.686 1.547 7.603 395 HB2 TYR 52 2HB TYR 52 -1.771 3.824 6.773 396 HB3 TYR 52 1HB TYR 52 -1.911 2.703 5.424 397 HD1 TYR 52 2HD TYR 52 -4.126 2.359 4.335 398 HD2 TYR 52 1HD TYR 52 -3.515 5.359 7.288 399 HE1 TYR 52 2HE TYR 52 -6.190 3.483 3.612 400 HE2 TYR 52 1HE TYR 52 -5.577 6.491 6.574 401 HH TYR 52 HH TYR 52 -6.939 6.485 4.162 402 H GLY 53 H GLY 53 -1.726 3.262 9.236 403 HA2 GLY 53 2HA GLY 53 -2.596 4.325 11.079 404 HA3 GLY 53 1HA GLY 53 -4.176 4.214 10.321 405 H PHE 54 H PHE 54 -3.927 3.942 13.028 406 HA PHE 54 HA PHE 54 -4.425 1.067 13.432 407 HB2 PHE 54 2HB PHE 54 -2.587 2.781 14.775 408 HB3 PHE 54 1HB PHE 54 -3.845 2.331 15.922 409 HD1 PHE 54 1HD PHE 54 -2.370 0.374 13.124 410 HD2 PHE 54 2HD PHE 54 -2.859 0.783 17.332 411 HE1 PHE 54 1HE PHE 54 -1.279 -1.805 13.458 412 HE2 PHE 54 2HE PHE 54 -1.767 -1.396 17.674 413 HZ PHE 54 HZ PHE 54 -0.975 -2.693 15.736 414 HA PRO 55 HA PRO 55 -5.865 -0.383 14.166 415 HB2 PRO 55 2HB PRO 55 -8.234 -1.010 12.941 416 HB3 PRO 55 1HB PRO 55 -7.972 -1.101 14.686 417 HG2 PRO 55 2HG PRO 55 -9.263 1.065 13.075 418 HG3 PRO 55 1HG PRO 55 -9.769 0.370 14.626 419 HD2 PRO 55 2HD PRO 55 -8.497 2.731 14.489 420 HD3 PRO 55 1HD PRO 55 -8.214 1.597 15.826 421 HA PRO 56 HA PRO 56 -4.717 -0.090 9.925 422 HB2 PRO 56 2HB PRO 56 -4.961 -2.636 9.044 423 HB3 PRO 56 1HB PRO 56 -3.692 -2.134 10.165 424 HG2 PRO 56 2HG PRO 56 -6.289 -3.505 10.737 425 HG3 PRO 56 1HG PRO 56 -4.678 -3.834 11.406 426 HD2 PRO 56 2HD PRO 56 -6.557 -2.407 12.740 427 HD3 PRO 56 1HD PRO 56 -4.820 -2.107 12.921 428 H LYS 57 H LYS 57 -5.611 0.499 8.089 429 HA LYS 57 HA LYS 57 -8.468 0.068 7.695 430 HB2 LYS 57 2HB LYS 57 -6.518 1.858 6.232 431 HB3 LYS 57 1HB LYS 57 -8.252 1.800 5.943 432 HG2 LYS 57 2HG LYS 57 -7.580 2.257 8.738 433 HG3 LYS 57 1HG LYS 57 -6.951 3.504 7.657 434 HD2 LYS 57 2HD LYS 57 -9.705 2.718 7.069 435 HD3 LYS 57 1HD LYS 57 -9.495 3.410 8.678 436 HE2 LYS 57 2HE LYS 57 -8.115 5.222 7.389 437 HE3 LYS 57 1HE LYS 57 -9.037 4.648 6.001 438 HZ1 LYS 57 3HZ LYS 57 -9.935 6.130 8.343 439 HZ2 LYS 57 1HZ LYS 57 -10.999 4.963 7.734 440 HZ3 LYS 57 2HZ LYS 57 -10.461 6.220 6.739 441 H GLU 58 H GLU 58 -9.055 -0.055 5.227 442 HA GLU 58 HA GLU 58 -7.388 -2.162 4.020 443 HB2 GLU 58 2HB GLU 58 -9.714 -2.794 4.964 444 HB3 GLU 58 1HB GLU 58 -10.351 -1.941 3.566 445 HG2 GLU 58 2HG GLU 58 -9.112 -3.431 2.083 446 HG3 GLU 58 1HG GLU 58 -8.466 -4.286 3.484 447 H LEU 59 H LEU 59 -6.364 -0.190 3.078 448 HA LEU 59 HA LEU 59 -7.375 1.682 1.432 449 HB2 LEU 59 2HB LEU 59 -4.935 1.145 1.990 450 HB3 LEU 59 1HB LEU 59 -4.971 0.084 0.596 451 HG LEU 59 HG LEU 59 -5.388 1.937 -0.888 452 HD11 LEU 59 1HD1 LEU 59 -5.926 3.370 1.650 453 HD12 LEU 59 2HD1 LEU 59 -6.727 3.493 0.084 454 HD13 LEU 59 3HD1 LEU 59 -5.171 4.282 0.342 455 HD21 LEU 59 3HD2 LEU 59 -3.053 1.443 -0.116 456 HD22 LEU 59 1HD2 LEU 59 -3.223 2.774 1.029 457 HD23 LEU 59 2HD2 LEU 59 -3.312 3.086 -0.704 458 H MET 60 H MET 60 -9.248 0.977 0.414 459 HA MET 60 HA MET 60 -9.201 -1.165 -1.506 460 HB2 MET 60 2HB MET 60 -11.524 -0.571 -1.926 461 HB3 MET 60 1HB MET 60 -11.224 -0.637 -0.195 462 HG2 MET 60 2HG MET 60 -10.925 1.861 -0.275 463 HG3 MET 60 1HG MET 60 -11.543 1.796 -1.923 464 HE1 MET 60 3HE MET 60 -12.630 0.535 1.829 465 HE2 MET 60 1HE MET 60 -13.855 1.801 1.932 466 HE3 MET 60 2HE MET 60 -12.173 2.224 1.609 467 HA PRO 61 HA PRO 61 -8.073 1.066 -5.127 468 HB2 PRO 61 2HB PRO 61 -9.713 -0.002 -7.020 469 HB3 PRO 61 1HB PRO 61 -8.322 -0.858 -6.347 470 HG2 PRO 61 2HG PRO 61 -11.219 -1.106 -5.649 471 HG3 PRO 61 1HG PRO 61 -10.001 -2.380 -5.843 472 HD2 PRO 61 2HD PRO 61 -10.790 -1.474 -3.418 473 HD3 PRO 61 1HD PRO 61 -9.143 -2.053 -3.728 474 HA PRO 62 HA PRO 62 -10.994 4.433 -5.303 475 HB2 PRO 62 2HB PRO 62 -9.629 6.011 -7.019 476 HB3 PRO 62 1HB PRO 62 -9.154 5.811 -5.331 477 HG2 PRO 62 2HG PRO 62 -8.038 4.513 -7.782 478 HG3 PRO 62 1HG PRO 62 -7.183 5.166 -6.372 479 HD2 PRO 62 2HD PRO 62 -7.670 2.510 -6.727 480 HD3 PRO 62 1HD PRO 62 -7.527 3.268 -5.129 481 H GLN 63 H GLN 63 -11.638 5.969 -7.336 482 HA GLN 63 HA GLN 63 -12.300 4.227 -9.598 483 HB2 GLN 63 2HB GLN 63 -14.139 5.457 -7.689 484 HB3 GLN 63 1HB GLN 63 -14.523 5.853 -9.357 485 HG2 GLN 63 2HG GLN 63 -15.561 3.910 -9.514 486 HG3 GLN 63 1HG GLN 63 -13.997 3.114 -9.354 487 HE21 GLN 63 1HE2 GLN 63 -13.251 2.752 -7.103 488 HE22 GLN 63 2HE2 GLN 63 -14.433 2.306 -5.925 489 H ALA 64 H ALA 64 -13.725 5.937 -11.149 490 HA ALA 64 HA ALA 64 -11.818 7.470 -12.428 491 HB1 ALA 64 1HB ALA 64 -13.895 8.711 -13.367 492 HB2 ALA 64 2HB ALA 64 -14.806 7.506 -12.458 493 HB3 ALA 64 3HB ALA 64 -13.678 6.995 -13.715 494 H GLY 65 H GLY 65 -10.638 8.907 -11.258 495 HA2 GLY 65 2HA GLY 65 -10.777 11.401 -10.922 496 HA3 GLY 65 1HA GLY 65 -12.130 11.040 -9.861 497 H MET 66 H MET 66 -10.992 8.723 -8.636 498 HA MET 66 HA MET 66 -9.153 10.068 -6.814 499 HB2 MET 66 2HB MET 66 -10.878 7.627 -6.649 500 HB3 MET 66 1HB MET 66 -9.522 7.803 -5.543 501 HG2 MET 66 2HG MET 66 -10.506 9.467 -4.377 502 HG3 MET 66 1HG MET 66 -11.334 10.118 -5.790 503 HE1 MET 66 3HE MET 66 -13.350 8.314 -6.992 504 HE2 MET 66 1HE MET 66 -13.680 9.883 -6.258 505 HE3 MET 66 2HE MET 66 -14.696 8.495 -5.866 506 H GLU 67 H GLU 67 -9.238 7.468 -9.137 507 HA GLU 67 HA GLU 67 -6.946 6.056 -8.419 508 HB2 GLU 67 2HB GLU 67 -6.836 5.431 -10.849 509 HB3 GLU 67 1HB GLU 67 -8.398 5.154 -10.089 510 HG2 GLU 67 2HG GLU 67 -8.729 7.663 -11.058 511 HG3 GLU 67 1HG GLU 67 -7.647 6.968 -12.264 512 H LYS 68 H LYS 68 -7.317 9.065 -10.178 513 HA LYS 68 HA LYS 68 -4.621 9.228 -11.083 514 HB2 LYS 68 2HB LYS 68 -6.442 11.585 -10.636 515 HB3 LYS 68 1HB LYS 68 -5.151 11.415 -11.817 516 HG2 LYS 68 2HG LYS 68 -6.511 9.638 -12.929 517 HG3 LYS 68 1HG LYS 68 -7.830 10.047 -11.829 518 HD2 LYS 68 2HD LYS 68 -6.486 12.035 -13.654 519 HD3 LYS 68 1HD LYS 68 -7.954 11.149 -14.077 520 HE2 LYS 68 2HE LYS 68 -9.236 12.265 -12.515 521 HE3 LYS 68 1HE LYS 68 -7.844 12.683 -11.518 522 HZ1 LYS 68 3HZ LYS 68 -7.216 14.050 -13.656 523 HZ2 LYS 68 1HZ LYS 68 -8.259 14.684 -12.482 524 HZ3 LYS 68 2HZ LYS 68 -8.890 14.016 -13.903 525 H GLU 69 H GLU 69 -6.140 9.801 -8.065 526 HA GLU 69 HA GLU 69 -4.112 11.624 -7.097 527 HB2 GLU 69 2HB GLU 69 -6.625 10.448 -6.011 528 HB3 GLU 69 1HB GLU 69 -5.411 10.996 -4.862 529 HG2 GLU 69 2HG GLU 69 -5.553 13.105 -6.585 530 HG3 GLU 69 1HG GLU 69 -7.218 12.528 -6.569 531 HA PRO 70 HA PRO 70 -1.379 8.522 -5.551 532 HB2 PRO 70 2HB PRO 70 -0.120 9.885 -3.590 533 HB3 PRO 70 1HB PRO 70 0.137 10.240 -5.302 534 HG2 PRO 70 2HG PRO 70 -1.601 11.652 -3.315 535 HG3 PRO 70 1HG PRO 70 -0.527 12.337 -4.548 536 HD2 PRO 70 2HD PRO 70 -3.222 12.119 -4.873 537 HD3 PRO 70 1HD PRO 70 -2.073 12.063 -6.225 538 H VAL 71 H VAL 71 -0.714 7.407 -3.538 539 HA VAL 71 HA VAL 71 -2.943 6.485 -2.100 540 HB VAL 71 HB VAL 71 -1.150 5.452 -0.574 541 HG11 VAL 71 1HG1 VAL 71 -1.292 4.911 -3.531 542 HG12 VAL 71 2HG1 VAL 71 -2.201 4.125 -2.239 543 HG13 VAL 71 3HG1 VAL 71 -0.465 3.852 -2.387 544 HG21 VAL 71 3HG2 VAL 71 0.504 7.295 -1.529 545 HG22 VAL 71 1HG2 VAL 71 0.805 6.036 -2.726 546 HG23 VAL 71 2HG2 VAL 71 1.068 5.706 -1.013 547 HA PRO 72 HA PRO 72 -3.234 9.189 1.388 548 HB2 PRO 72 2HB PRO 72 -3.934 7.550 3.388 549 HB3 PRO 72 1HB PRO 72 -5.001 7.819 2.004 550 HG2 PRO 72 2HG PRO 72 -3.104 5.549 2.507 551 HG3 PRO 72 1HG PRO 72 -4.798 5.483 1.987 552 HD2 PRO 72 2HD PRO 72 -2.744 5.272 0.246 553 HD3 PRO 72 1HD PRO 72 -4.283 6.035 -0.194 554 H LEU 73 H LEU 73 -0.658 7.139 1.112 555 HA LEU 73 HA LEU 73 0.426 7.729 3.766 556 HB2 LEU 73 2HB LEU 73 1.901 6.032 1.827 557 HB3 LEU 73 1HB LEU 73 1.748 5.873 3.568 558 HG LEU 73 HG LEU 73 -0.536 5.284 1.693 559 HD11 LEU 73 1HD1 LEU 73 0.091 2.873 2.132 560 HD12 LEU 73 2HD1 LEU 73 1.667 3.483 2.635 561 HD13 LEU 73 3HD1 LEU 73 1.098 3.761 0.990 562 HD21 LEU 73 3HD2 LEU 73 -1.526 4.199 3.536 563 HD22 LEU 73 1HD2 LEU 73 -0.926 5.740 4.150 564 HD23 LEU 73 2HD2 LEU 73 -0.031 4.254 4.471 565 H GLN 74 H GLN 74 2.673 8.423 3.935 566 HA GLN 74 HA GLN 74 3.706 9.846 1.595 567 HB2 GLN 74 2HB GLN 74 3.165 11.082 4.294 568 HB3 GLN 74 1HB GLN 74 4.198 11.822 3.079 569 HG2 GLN 74 2HG GLN 74 1.367 11.065 2.464 570 HG3 GLN 74 1HG GLN 74 1.766 12.594 3.243 571 HE21 GLN 74 1HE2 GLN 74 0.847 11.534 0.446 572 HE22 GLN 74 2HE2 GLN 74 1.780 12.502 -0.638 573 H HIS 75 H HIS 75 5.886 10.979 2.383 574 HA HIS 75 HA HIS 75 7.721 8.929 2.840 575 HB2 HIS 75 2HB HIS 75 8.082 11.270 1.825 576 HB3 HIS 75 1HB HIS 75 8.294 11.812 3.487 577 HD1 HIS 75 1HD HIS 75 9.824 8.980 4.174 578 HD2 HIS 75 2HD HIS 75 10.806 11.839 1.323 579 HE1 HIS 75 1HE HIS 75 12.281 8.674 3.733 580 HE2 HIS 75 2HE HIS 75 12.869 10.469 2.066 581 H GLY 76 H GLY 76 7.775 7.738 4.643 582 HA2 GLY 76 2HA GLY 76 8.707 7.629 6.876 583 HA3 GLY 76 1HA GLY 76 7.956 9.180 7.209 584 H ASP 77 H ASP 77 5.893 7.146 5.454 585 HA ASP 77 HA ASP 77 4.278 6.724 7.839 586 HB2 ASP 77 2HB ASP 77 3.747 7.138 5.051 587 HB3 ASP 77 1HB ASP 77 2.998 5.628 5.558 588 H ARG 78 H ARG 78 2.870 4.494 7.332 589 HA ARG 78 HA ARG 78 4.654 2.286 6.740 590 HB2 ARG 78 2HB ARG 78 4.047 1.191 8.963 591 HB3 ARG 78 1HB ARG 78 5.237 2.483 9.019 592 HG2 ARG 78 2HG ARG 78 2.457 3.348 9.388 593 HG3 ARG 78 1HG ARG 78 3.091 2.294 10.653 594 HD2 ARG 78 2HD ARG 78 5.119 4.156 10.097 595 HD3 ARG 78 1HD ARG 78 3.617 5.076 10.164 596 HE ARG 78 HE ARG 78 3.512 4.679 12.416 597 HH11 ARG 78 1HH1 ARG 78 5.840 2.504 10.992 598 HH12 ARG 78 2HH1 ARG 78 6.416 1.921 12.518 599 HH21 ARG 78 1HH2 ARG 78 4.267 3.914 14.424 600 HH22 ARG 78 2HH2 ARG 78 5.522 2.721 14.467 601 H ILE 79 H ILE 79 3.584 0.379 6.248 602 HA ILE 79 HA ILE 79 0.672 0.372 6.482 603 HB ILE 79 HB ILE 79 0.710 -0.540 4.029 604 HG12 ILE 79 2HG1 ILE 79 3.050 1.371 3.966 605 HG13 ILE 79 1HG1 ILE 79 3.206 -0.380 3.871 606 HG21 ILE 79 1HG2 ILE 79 -0.250 1.422 3.401 607 HG22 ILE 79 2HG2 ILE 79 1.012 2.403 4.146 608 HG23 ILE 79 3HG2 ILE 79 -0.232 1.658 5.149 609 HD11 ILE 79 3HD1 ILE 79 1.767 1.382 1.902 610 HD12 ILE 79 1HD1 ILE 79 1.890 -0.374 1.809 611 HD13 ILE 79 2HD1 ILE 79 3.341 0.619 1.674 612 H THR 80 H THR 80 -0.273 -1.724 5.820 613 HA THR 80 HA THR 80 1.595 -3.963 6.178 614 HB THR 80 HB THR 80 -1.105 -3.684 7.504 615 HG1 THR 80 1HG THR 80 1.514 -3.627 8.588 616 HG21 THR 80 3HG2 THR 80 0.730 -5.745 8.457 617 HG22 THR 80 1HG2 THR 80 0.092 -6.029 6.839 618 HG23 THR 80 2HG2 THR 80 -1.012 -5.803 8.195 619 H ILE 81 H ILE 81 1.371 -5.510 4.706 620 HA ILE 81 HA ILE 81 -0.931 -5.379 2.902 621 HB ILE 81 HB ILE 81 1.605 -6.954 2.497 622 HG12 ILE 81 2HG1 ILE 81 2.216 -4.620 2.705 623 HG13 ILE 81 1HG1 ILE 81 2.302 -5.083 1.009 624 HG21 ILE 81 1HG2 ILE 81 -0.637 -6.118 0.670 625 HG22 ILE 81 2HG2 ILE 81 -0.157 -7.756 1.115 626 HG23 ILE 81 3HG2 ILE 81 0.897 -6.774 0.097 627 HD11 ILE 81 3HD1 ILE 81 -0.063 -4.120 0.832 628 HD12 ILE 81 1HD1 ILE 81 1.287 -2.996 0.983 629 HD13 ILE 81 2HD1 ILE 81 0.282 -3.360 2.385 630 H GLU 82 H GLU 82 -1.985 -7.319 2.217 631 HA GLU 82 HA GLU 82 -1.624 -9.631 3.987 632 HB2 GLU 82 2HB GLU 82 -3.473 -8.744 5.051 633 HB3 GLU 82 1HB GLU 82 -4.104 -8.020 3.581 634 HG2 GLU 82 2HG GLU 82 -4.853 -10.173 2.790 635 HG3 GLU 82 1HG GLU 82 -4.115 -10.971 4.176 636 H ILE 83 H ILE 83 -1.200 -11.340 2.768 637 HA ILE 83 HA ILE 83 -1.586 -11.409 -0.026 638 HB ILE 83 HB ILE 83 -1.102 -13.715 1.865 639 HG12 ILE 83 2HG1 ILE 83 1.206 -13.196 0.392 640 HG13 ILE 83 1HG1 ILE 83 0.604 -11.598 0.819 641 HG21 ILE 83 1HG2 ILE 83 -1.984 -14.551 -0.201 642 HG22 ILE 83 2HG2 ILE 83 -0.248 -14.861 -0.176 643 HG23 ILE 83 3HG2 ILE 83 -0.892 -13.530 -1.137 644 HD11 ILE 83 3HD1 ILE 83 0.385 -12.867 3.192 645 HD12 ILE 83 1HD1 ILE 83 1.792 -11.933 2.685 646 HD13 ILE 83 2HD1 ILE 83 1.784 -13.687 2.501 647 H LEU 84 H LEU 84 -3.567 -11.338 -0.885 648 HA LEU 84 HA LEU 84 -5.867 -12.466 0.362 649 HB2 LEU 84 2HB LEU 84 -5.591 -11.633 -2.522 650 HB3 LEU 84 1HB LEU 84 -7.071 -11.761 -1.589 651 HG LEU 84 HG LEU 84 -4.884 -9.713 -1.231 652 HD11 LEU 84 1HD1 LEU 84 -7.707 -8.989 -1.724 653 HD12 LEU 84 2HD1 LEU 84 -6.813 -9.682 -3.077 654 HD13 LEU 84 3HD1 LEU 84 -6.221 -8.223 -2.284 655 HD21 LEU 84 3HD2 LEU 84 -5.548 -9.498 0.878 656 HD22 LEU 84 1HD2 LEU 84 -6.807 -10.712 0.657 657 HD23 LEU 84 2HD2 LEU 84 -7.139 -9.021 0.285 658 H LYS 85 H LYS 85 -7.324 -13.981 -0.942 659 HA LYS 85 HA LYS 85 -5.733 -16.321 -1.652 660 HB2 LYS 85 2HB LYS 85 -8.223 -15.899 -0.299 661 HB3 LYS 85 1HB LYS 85 -8.508 -16.919 -1.701 662 HG2 LYS 85 2HG LYS 85 -6.316 -17.494 0.264 663 HG3 LYS 85 1HG LYS 85 -7.967 -18.075 0.493 664 HD2 LYS 85 2HD LYS 85 -7.207 -19.862 -0.661 665 HD3 LYS 85 1HD LYS 85 -7.545 -18.838 -2.058 666 HE2 LYS 85 2HE LYS 85 -5.408 -19.002 -2.637 667 HE3 LYS 85 1HE LYS 85 -4.977 -18.128 -1.167 668 HZ1 LYS 85 3HZ LYS 85 -4.785 -20.962 -1.761 669 HZ2 LYS 85 1HZ LYS 85 -5.324 -20.582 -0.202 670 HZ3 LYS 85 2HZ LYS 85 -3.832 -20.001 -0.748 671 H GLY 86 H GLY 86 -5.107 -16.059 -3.735 672 HA2 GLY 86 2HA GLY 86 -6.680 -14.962 -5.799 673 HA3 GLY 86 1HA GLY 86 -5.259 -15.970 -6.025 Start of MODEL 16 1 H1 LYS 6 H LYS 6 10.797 14.197 -6.664 2 HA LYS 6 HA LYS 6 12.954 12.799 -5.465 3 HB2 LYS 6 2HB LYS 6 12.567 13.654 -3.128 4 HB3 LYS 6 1HB LYS 6 13.374 14.781 -4.209 5 HG2 LYS 6 2HG LYS 6 11.881 16.259 -3.462 6 HG3 LYS 6 1HG LYS 6 10.759 15.457 -4.563 7 HD2 LYS 6 2HD LYS 6 10.197 13.901 -2.652 8 HD3 LYS 6 1HD LYS 6 11.107 14.994 -1.609 9 HE2 LYS 6 2HE LYS 6 9.124 16.015 -1.339 10 HE3 LYS 6 1HE LYS 6 9.493 16.744 -2.901 11 HZ1 LYS 6 3HZ LYS 6 7.940 15.514 -3.942 12 HZ2 LYS 6 1HZ LYS 6 7.247 15.429 -2.402 13 HZ3 LYS 6 2HZ LYS 6 8.189 14.148 -2.978 14 H GLU 7 H GLU 7 12.235 10.918 -4.635 15 HA GLU 7 HA GLU 7 9.373 10.435 -4.668 16 HB2 GLU 7 2HB GLU 7 11.831 8.738 -4.618 17 HB3 GLU 7 1HB GLU 7 10.322 8.047 -4.041 18 HG2 GLU 7 2HG GLU 7 10.515 7.444 -6.301 19 HG3 GLU 7 1HG GLU 7 9.300 8.718 -6.229 20 H LYS 8 H LYS 8 8.611 8.851 -2.898 21 HA LYS 8 HA LYS 8 9.587 9.819 -0.290 22 HB2 LYS 8 2HB LYS 8 7.228 9.371 0.530 23 HB3 LYS 8 1HB LYS 8 7.429 10.761 -0.523 24 HG2 LYS 8 2HG LYS 8 5.661 9.922 -1.590 25 HG3 LYS 8 1HG LYS 8 6.825 8.817 -2.314 26 HD2 LYS 8 2HD LYS 8 6.118 7.051 -1.083 27 HD3 LYS 8 1HD LYS 8 5.708 8.053 0.311 28 HE2 LYS 8 2HE LYS 8 3.788 6.957 -0.983 29 HE3 LYS 8 1HE LYS 8 3.643 8.667 -0.586 30 HZ1 LYS 8 3HZ LYS 8 3.109 7.856 -2.966 31 HZ2 LYS 8 1HZ LYS 8 4.788 7.860 -3.174 32 HZ3 LYS 8 2HZ LYS 8 3.983 9.289 -2.761 33 H LYS 9 H LYS 9 10.211 8.318 1.129 34 HA LYS 9 HA LYS 9 9.986 5.532 0.317 35 HB2 LYS 9 2HB LYS 9 12.214 6.284 0.884 36 HB3 LYS 9 1HB LYS 9 11.660 6.889 2.439 37 HG2 LYS 9 2HG LYS 9 11.060 4.075 2.097 38 HG3 LYS 9 1HG LYS 9 12.782 4.415 1.929 39 HD2 LYS 9 2HD LYS 9 11.504 5.808 4.165 40 HD3 LYS 9 1HD LYS 9 11.468 4.048 4.299 41 HE2 LYS 9 2HE LYS 9 13.461 4.839 5.364 42 HE3 LYS 9 1HE LYS 9 13.919 4.030 3.865 43 HZ1 LYS 9 3HZ LYS 9 15.136 5.908 3.647 44 HZ2 LYS 9 1HZ LYS 9 14.087 6.853 4.580 45 HZ3 LYS 9 2HZ LYS 9 13.700 6.496 2.973 46 H ILE 10 H ILE 10 8.849 4.030 1.387 47 HA ILE 10 HA ILE 10 7.657 4.748 3.958 48 HB ILE 10 HB ILE 10 5.782 3.251 2.352 49 HG12 ILE 10 2HG1 ILE 10 6.820 5.851 1.231 50 HG13 ILE 10 1HG1 ILE 10 6.596 4.319 0.396 51 HG21 ILE 10 1HG2 ILE 10 4.629 5.665 2.959 52 HG22 ILE 10 2HG2 ILE 10 5.879 5.521 4.192 53 HG23 ILE 10 3HG2 ILE 10 4.662 4.258 4.018 54 HD11 ILE 10 3HD1 ILE 10 4.665 6.461 0.996 55 HD12 ILE 10 1HD1 ILE 10 4.066 4.805 1.097 56 HD13 ILE 10 2HD1 ILE 10 4.788 5.392 -0.401 57 H ARG 11 H ARG 11 6.686 2.841 5.071 58 HA ARG 11 HA ARG 11 8.385 0.498 4.589 59 HB2 ARG 11 2HB ARG 11 8.515 1.505 6.819 60 HB3 ARG 11 1HB ARG 11 6.784 1.283 7.031 61 HG2 ARG 11 2HG ARG 11 7.239 -1.208 6.699 62 HG3 ARG 11 1HG ARG 11 8.938 -0.800 6.941 63 HD2 ARG 11 2HD ARG 11 6.647 -0.521 8.861 64 HD3 ARG 11 1HD ARG 11 8.146 -1.425 9.063 65 HE ARG 11 HE ARG 11 7.726 1.377 9.558 66 HH11 ARG 11 1HH1 ARG 11 10.096 -1.082 8.835 67 HH12 ARG 11 2HH1 ARG 11 11.416 -0.181 9.502 68 HH21 ARG 11 1HH2 ARG 11 9.461 2.562 10.435 69 HH22 ARG 11 2HH2 ARG 11 11.056 1.887 10.410 70 H ILE 12 H ILE 12 7.550 -1.604 4.577 71 HA ILE 12 HA ILE 12 4.636 -1.835 4.267 72 HB ILE 12 HB ILE 12 6.645 -3.261 2.519 73 HG12 ILE 12 2HG1 ILE 12 4.692 -1.255 1.463 74 HG13 ILE 12 1HG1 ILE 12 6.174 -0.673 2.217 75 HG21 ILE 12 1HG2 ILE 12 4.300 -3.547 1.267 76 HG22 ILE 12 2HG2 ILE 12 3.726 -3.446 2.932 77 HG23 ILE 12 3HG2 ILE 12 4.890 -4.689 2.475 78 HD11 ILE 12 3HD1 ILE 12 6.031 -2.582 -0.108 79 HD12 ILE 12 1HD1 ILE 12 7.500 -1.941 0.627 80 HD13 ILE 12 2HD1 ILE 12 6.388 -0.858 -0.208 81 H THR 13 H THR 13 3.744 -3.808 4.899 82 HA THR 13 HA THR 13 5.492 -5.889 5.898 83 HB THR 13 HB THR 13 3.453 -4.955 7.851 84 HG1 THR 13 1HG THR 13 4.574 -3.052 7.355 85 HG21 THR 13 3HG2 THR 13 5.870 -6.587 7.827 86 HG22 THR 13 1HG2 THR 13 4.446 -6.671 8.860 87 HG23 THR 13 2HG2 THR 13 5.720 -5.501 9.208 88 H THR 14 H THR 14 4.672 -7.735 5.191 89 HA THR 14 HA THR 14 1.829 -7.867 4.583 90 HB THR 14 HB THR 14 2.276 -9.544 3.099 91 HG1 THR 14 1HG THR 14 3.232 -11.227 3.837 92 HG21 THR 14 3HG2 THR 14 4.959 -8.212 3.345 93 HG22 THR 14 1HG2 THR 14 3.616 -7.714 2.318 94 HG23 THR 14 2HG2 THR 14 4.452 -9.233 1.999 95 H ASN 15 H ASN 15 0.425 -9.298 5.412 96 HA ASN 15 HA ASN 15 0.546 -9.955 8.083 97 HB2 ASN 15 2HB ASN 15 -1.353 -11.527 7.585 98 HB3 ASN 15 1HB ASN 15 -1.571 -9.889 6.978 99 HD21 ASN 15 1HD2 ASN 15 -2.970 -12.116 6.029 100 HD22 ASN 15 2HD2 ASN 15 -2.521 -12.380 4.382 101 H ASP 16 H ASP 16 1.852 -11.720 5.382 102 HA ASP 16 HA ASP 16 1.985 -14.279 6.502 103 HB2 ASP 16 2HB ASP 16 2.835 -13.132 4.149 104 HB3 ASP 16 1HB ASP 16 4.353 -13.548 4.939 105 H GLY 17 H GLY 17 3.685 -11.400 7.283 106 HA2 GLY 17 2HA GLY 17 4.738 -11.309 9.472 107 HA3 GLY 17 1HA GLY 17 5.349 -12.931 9.178 108 H ARG 18 H ARG 18 5.351 -10.455 6.714 109 HA ARG 18 HA ARG 18 8.268 -10.165 7.059 110 HB2 ARG 18 2HB ARG 18 8.498 -10.217 4.601 111 HB3 ARG 18 1HB ARG 18 7.869 -11.728 5.246 112 HG2 ARG 18 2HG ARG 18 5.618 -11.056 4.617 113 HG3 ARG 18 1HG ARG 18 6.255 -9.554 3.944 114 HD2 ARG 18 2HD ARG 18 6.126 -10.871 2.064 115 HD3 ARG 18 1HD ARG 18 7.786 -11.167 2.579 116 HE ARG 18 HE ARG 18 7.181 -13.310 3.258 117 HH11 ARG 18 1HH1 ARG 18 4.379 -11.530 2.182 118 HH12 ARG 18 2HH1 ARG 18 3.427 -12.949 1.921 119 HH21 ARG 18 1HH2 ARG 18 5.926 -15.178 2.917 120 HH22 ARG 18 2HH2 ARG 18 4.303 -15.021 2.334 121 H GLN 19 H GLN 19 9.184 -8.222 6.156 122 HA GLN 19 HA GLN 19 7.321 -6.108 5.420 123 HB2 GLN 19 2HB GLN 19 8.927 -4.712 7.133 124 HB3 GLN 19 1HB GLN 19 7.309 -5.276 7.510 125 HG2 GLN 19 2HG GLN 19 8.148 -7.174 8.661 126 HG3 GLN 19 1HG GLN 19 9.785 -6.882 8.074 127 HE21 GLN 19 1HE2 GLN 19 8.388 -6.985 10.799 128 HE22 GLN 19 2HE2 GLN 19 8.986 -5.580 11.608 129 H SER 20 H SER 20 8.333 -4.254 4.484 130 HA SER 20 HA SER 20 11.154 -4.300 3.927 131 HB2 SER 20 2HB SER 20 9.202 -4.660 1.640 132 HB3 SER 20 1HB SER 20 10.947 -4.452 1.494 133 HG SER 20 HG SER 20 11.156 -6.504 1.835 134 H MET 21 H MET 21 11.565 -2.504 2.133 135 HA MET 21 HA MET 21 9.771 -0.243 2.706 136 HB2 MET 21 2HB MET 21 11.610 1.237 2.999 137 HB3 MET 21 1HB MET 21 11.927 -0.164 4.011 138 HG2 MET 21 2HG MET 21 13.078 0.065 1.255 139 HG3 MET 21 1HG MET 21 13.854 0.813 2.648 140 HE1 MET 21 3HE MET 21 13.389 -1.770 0.438 141 HE2 MET 21 1HE MET 21 13.251 -3.307 1.291 142 HE3 MET 21 2HE MET 21 14.838 -2.698 0.823 143 H VAL 22 H VAL 22 9.770 1.452 1.145 144 HA VAL 22 HA VAL 22 10.850 0.774 -1.484 145 HB VAL 22 HB VAL 22 8.632 1.349 -2.513 146 HG11 VAL 22 1HG1 VAL 22 9.488 -0.955 -2.319 147 HG12 VAL 22 2HG1 VAL 22 7.728 -0.871 -2.276 148 HG13 VAL 22 3HG1 VAL 22 8.638 -1.113 -0.784 149 HG21 VAL 22 3HG2 VAL 22 7.535 0.801 0.232 150 HG22 VAL 22 1HG2 VAL 22 6.637 1.263 -1.214 151 HG23 VAL 22 2HG2 VAL 22 7.725 2.418 -0.442 152 H THR 23 H THR 23 10.299 2.593 -3.067 153 HA THR 23 HA THR 23 10.533 5.186 -1.685 154 HB THR 23 HB THR 23 12.582 4.302 -2.952 155 HG1 THR 23 1HG THR 23 12.985 6.388 -3.822 156 HG21 THR 23 3HG2 THR 23 12.650 4.129 -5.196 157 HG22 THR 23 1HG2 THR 23 11.437 5.384 -5.442 158 HG23 THR 23 2HG2 THR 23 10.939 3.755 -4.986 159 H LEU 24 H LEU 24 8.065 4.129 -2.232 160 HA LEU 24 HA LEU 24 6.681 4.348 -4.463 161 HB2 LEU 24 2HB LEU 24 6.045 4.645 -1.768 162 HB3 LEU 24 1HB LEU 24 5.358 6.064 -2.536 163 HG LEU 24 HG LEU 24 4.053 4.686 -4.037 164 HD11 LEU 24 1HD1 LEU 24 5.372 2.822 -4.505 165 HD12 LEU 24 2HD1 LEU 24 4.044 2.169 -3.546 166 HD13 LEU 24 3HD1 LEU 24 5.618 2.449 -2.799 167 HD21 LEU 24 3HD2 LEU 24 3.759 3.580 -1.254 168 HD22 LEU 24 1HD2 LEU 24 2.506 3.787 -2.477 169 HD23 LEU 24 2HD2 LEU 24 3.239 5.199 -1.718 170 H LYS 25 H LYS 25 6.075 5.771 -6.001 171 HA LYS 25 HA LYS 25 7.510 8.205 -6.227 172 HB2 LYS 25 2HB LYS 25 5.290 6.970 -7.839 173 HB3 LYS 25 1HB LYS 25 5.893 8.580 -8.200 174 HG2 LYS 25 2HG LYS 25 6.972 6.964 -9.623 175 HG3 LYS 25 1HG LYS 25 8.150 7.640 -8.495 176 HD2 LYS 25 2HD LYS 25 6.711 5.133 -7.768 177 HD3 LYS 25 1HD LYS 25 8.041 5.058 -8.927 178 HE2 LYS 25 2HE LYS 25 8.783 6.695 -6.694 179 HE3 LYS 25 1HE LYS 25 8.191 5.139 -6.117 180 HZ1 LYS 25 3HZ LYS 25 9.881 4.699 -8.319 181 HZ2 LYS 25 1HZ LYS 25 10.102 4.220 -6.711 182 HZ3 LYS 25 2HZ LYS 25 10.683 5.719 -7.235 183 H SER 26 H SER 26 6.914 10.271 -5.857 184 HA SER 26 HA SER 26 5.193 10.890 -3.854 185 HB2 SER 26 2HB SER 26 5.596 12.829 -6.122 186 HB3 SER 26 1HB SER 26 5.491 13.162 -4.393 187 HG SER 26 HG SER 26 7.654 12.468 -5.914 188 H SER 27 H SER 27 4.402 10.339 -7.192 189 HA SER 27 HA SER 27 1.590 11.013 -6.627 190 HB2 SER 27 2HB SER 27 2.433 10.711 -9.449 191 HB3 SER 27 1HB SER 27 1.350 11.893 -8.715 192 HG SER 27 HG SER 27 3.368 12.795 -7.781 193 H THR 28 H THR 28 2.428 8.600 -5.733 194 HA THR 28 HA THR 28 1.799 6.602 -7.764 195 HB THR 28 HB THR 28 2.887 6.461 -4.962 196 HG1 THR 28 1HG THR 28 3.842 5.405 -7.410 197 HG21 THR 28 3HG2 THR 28 1.415 4.361 -6.351 198 HG22 THR 28 1HG2 THR 28 1.883 4.496 -4.657 199 HG23 THR 28 2HG2 THR 28 3.037 3.890 -5.844 200 H THR 29 H THR 29 -0.255 6.071 -8.087 201 HA THR 29 HA THR 29 -2.248 6.537 -6.034 202 HB THR 29 HB THR 29 -2.847 7.101 -8.309 203 HG1 THR 29 1HG THR 29 -4.279 4.730 -7.799 204 HG21 THR 29 3HG2 THR 29 -2.375 4.210 -8.992 205 HG22 THR 29 1HG2 THR 29 -1.441 5.590 -9.567 206 HG23 THR 29 2HG2 THR 29 -3.128 5.406 -10.047 207 H PHE 30 H PHE 30 -3.964 4.665 -5.849 208 HA PHE 30 HA PHE 30 -2.915 2.625 -4.366 209 HB2 PHE 30 2HB PHE 30 -5.305 3.117 -4.408 210 HB3 PHE 30 1HB PHE 30 -5.419 2.518 -6.061 211 HD1 PHE 30 2HD PHE 30 -4.469 1.442 -2.630 212 HD2 PHE 30 1HD PHE 30 -5.968 0.305 -6.446 213 HE1 PHE 30 2HE PHE 30 -4.924 -0.819 -1.774 214 HE2 PHE 30 1HE PHE 30 -6.426 -1.959 -5.597 215 HZ PHE 30 HZ PHE 30 -5.904 -2.523 -3.257 216 H PHE 31 H PHE 31 -3.551 2.585 -7.851 217 HA PHE 31 HA PHE 31 -2.856 -0.111 -8.283 218 HB2 PHE 31 2HB PHE 31 -2.653 2.205 -10.217 219 HB3 PHE 31 1HB PHE 31 -2.676 0.498 -10.645 220 HD1 PHE 31 1HD PHE 31 -4.824 -0.455 -8.816 221 HD2 PHE 31 2HD PHE 31 -4.571 3.021 -11.259 222 HE1 PHE 31 1HE PHE 31 -7.280 -0.384 -8.964 223 HE2 PHE 31 2HE PHE 31 -7.025 3.099 -11.410 224 HZ PHE 31 HZ PHE 31 -8.382 1.395 -10.262 225 H GLU 32 H GLU 32 -0.958 2.875 -8.652 226 HA GLU 32 HA GLU 32 1.435 1.667 -9.459 227 HB2 GLU 32 2HB GLU 32 0.715 4.288 -8.219 228 HB3 GLU 32 1HB GLU 32 2.412 3.833 -8.303 229 HG2 GLU 32 2HG GLU 32 1.956 3.398 -10.793 230 HG3 GLU 32 1HG GLU 32 0.489 4.343 -10.536 231 H LEU 33 H LEU 33 0.045 2.183 -6.287 232 HA LEU 33 HA LEU 33 2.398 1.563 -4.807 233 HB2 LEU 33 2HB LEU 33 0.746 2.824 -3.687 234 HB3 LEU 33 1HB LEU 33 -0.524 1.695 -4.116 235 HG LEU 33 HG LEU 33 0.270 0.081 -2.529 236 HD11 LEU 33 1HD1 LEU 33 2.713 0.659 -2.943 237 HD12 LEU 33 2HD1 LEU 33 2.254 0.244 -1.291 238 HD13 LEU 33 3HD1 LEU 33 2.496 1.930 -1.742 239 HD21 LEU 33 3HD2 LEU 33 0.027 1.325 -0.438 240 HD22 LEU 33 1HD2 LEU 33 -1.149 1.847 -1.644 241 HD23 LEU 33 2HD2 LEU 33 0.271 2.838 -1.310 242 H GLN 34 H GLN 34 -0.416 -0.308 -5.863 243 HA GLN 34 HA GLN 34 0.194 -2.701 -4.539 244 HB2 GLN 34 2HB GLN 34 -1.255 -2.254 -7.154 245 HB3 GLN 34 1HB GLN 34 -1.233 -3.776 -6.276 246 HG2 GLN 34 2HG GLN 34 -2.068 -1.484 -4.667 247 HG3 GLN 34 1HG GLN 34 -3.129 -1.841 -6.029 248 HE21 GLN 34 1HE2 GLN 34 -1.252 -3.848 -3.784 249 HE22 GLN 34 2HE2 GLN 34 -2.581 -4.831 -3.281 250 H GLU 35 H GLU 35 1.461 -1.288 -7.458 251 HA GLU 35 HA GLU 35 2.723 -3.697 -8.389 252 HB2 GLU 35 2HB GLU 35 2.027 -1.939 -9.954 253 HB3 GLU 35 1HB GLU 35 3.152 -0.817 -9.201 254 HG2 GLU 35 2HG GLU 35 4.863 -1.580 -10.391 255 HG3 GLU 35 1HG GLU 35 4.456 -3.260 -10.050 256 H SER 36 H SER 36 3.544 -1.112 -6.239 257 HA SER 36 HA SER 36 6.373 -1.426 -6.356 258 HB2 SER 36 2HB SER 36 4.579 -0.169 -4.268 259 HB3 SER 36 1HB SER 36 6.341 -0.102 -4.226 260 HG SER 36 HG SER 36 4.795 0.814 -6.416 261 H ILE 37 H ILE 37 3.918 -2.454 -3.988 262 HA ILE 37 HA ILE 37 5.639 -3.874 -2.301 263 HB ILE 37 HB ILE 37 2.756 -4.576 -2.857 264 HG12 ILE 37 2HG1 ILE 37 3.229 -2.944 -0.500 265 HG13 ILE 37 1HG1 ILE 37 3.741 -2.116 -1.968 266 HG21 ILE 37 1HG2 ILE 37 2.758 -5.787 -0.925 267 HG22 ILE 37 2HG2 ILE 37 4.038 -4.823 -0.190 268 HG23 ILE 37 3HG2 ILE 37 4.434 -6.022 -1.422 269 HD11 ILE 37 3HD1 ILE 37 1.602 -1.467 -2.044 270 HD12 ILE 37 1HD1 ILE 37 1.053 -2.792 -1.017 271 HD13 ILE 37 2HD1 ILE 37 1.331 -3.065 -2.737 272 H ALA 38 H ALA 38 3.935 -4.838 -5.228 273 HA ALA 38 HA ALA 38 4.379 -7.591 -5.119 274 HB1 ALA 38 1HB ALA 38 2.862 -6.513 -6.720 275 HB2 ALA 38 2HB ALA 38 4.004 -7.592 -7.520 276 HB3 ALA 38 3HB ALA 38 4.252 -5.847 -7.577 277 H ARG 39 H ARG 39 6.590 -5.016 -5.608 278 HA ARG 39 HA ARG 39 8.579 -6.714 -6.893 279 HB2 ARG 39 2HB ARG 39 9.088 -3.916 -5.935 280 HB3 ARG 39 1HB ARG 39 9.836 -4.778 -7.272 281 HG2 ARG 39 2HG ARG 39 7.271 -4.714 -8.108 282 HG3 ARG 39 1HG ARG 39 7.351 -3.219 -7.179 283 HD2 ARG 39 2HD ARG 39 8.524 -2.210 -8.776 284 HD3 ARG 39 1HD ARG 39 9.701 -3.522 -8.813 285 HE ARG 39 HE ARG 39 7.234 -4.104 -10.184 286 HH11 ARG 39 1HH1 ARG 39 10.435 -2.741 -10.472 287 HH12 ARG 39 2HH1 ARG 39 10.516 -2.976 -12.185 288 HH21 ARG 39 1HH2 ARG 39 7.342 -4.416 -12.437 289 HH22 ARG 39 2HH2 ARG 39 8.760 -3.925 -13.301 290 H GLU 40 H GLU 40 8.304 -4.734 -3.953 291 HA GLU 40 HA GLU 40 10.677 -5.644 -2.753 292 HB2 GLU 40 2HB GLU 40 8.345 -4.057 -1.960 293 HB3 GLU 40 1HB GLU 40 9.078 -4.947 -0.632 294 HG2 GLU 40 2HG GLU 40 9.928 -2.625 -0.946 295 HG3 GLU 40 1HG GLU 40 11.168 -3.878 -0.952 296 H PHE 41 H PHE 41 7.515 -7.038 -2.970 297 HA PHE 41 HA PHE 41 8.403 -9.229 -1.213 298 HB2 PHE 41 2HB PHE 41 5.570 -8.219 -1.535 299 HB3 PHE 41 1HB PHE 41 6.091 -9.539 -0.491 300 HD1 PHE 41 1HD PHE 41 6.370 -5.894 -1.047 301 HD2 PHE 41 2HD PHE 41 6.923 -9.123 1.665 302 HE1 PHE 41 1HE PHE 41 6.770 -4.290 0.776 303 HE2 PHE 41 2HE PHE 41 7.323 -7.528 3.493 304 HZ PHE 41 HZ PHE 41 7.248 -5.108 3.049 305 H ASN 42 H ASN 42 6.477 -11.075 -1.662 306 HA ASN 42 HA ASN 42 6.716 -11.586 -4.553 307 HB2 ASN 42 2HB ASN 42 6.499 -13.675 -2.382 308 HB3 ASN 42 1HB ASN 42 6.885 -13.934 -4.080 309 HD21 ASN 42 1HD2 ASN 42 8.845 -12.595 -4.813 310 HD22 ASN 42 2HD2 ASN 42 10.214 -12.646 -3.761 311 H ILE 43 H ILE 43 4.577 -10.121 -3.914 312 HA ILE 43 HA ILE 43 2.380 -12.026 -4.249 313 HB ILE 43 HB ILE 43 2.163 -9.590 -2.482 314 HG12 ILE 43 2HG1 ILE 43 1.714 -11.778 -0.884 315 HG13 ILE 43 1HG1 ILE 43 3.017 -12.343 -1.924 316 HG21 ILE 43 1HG2 ILE 43 -0.029 -10.303 -1.985 317 HG22 ILE 43 2HG2 ILE 43 0.229 -11.877 -2.740 318 HG23 ILE 43 3HG2 ILE 43 0.124 -10.426 -3.738 319 HD11 ILE 43 3HD1 ILE 43 4.238 -10.219 -1.308 320 HD12 ILE 43 1HD1 ILE 43 4.048 -11.422 -0.033 321 HD13 ILE 43 2HD1 ILE 43 3.010 -9.997 -0.062 322 HA PRO 44 HA PRO 44 1.529 -9.325 -7.664 323 HB2 PRO 44 2HB PRO 44 -0.939 -10.254 -8.301 324 HB3 PRO 44 1HB PRO 44 0.544 -11.140 -8.672 325 HG2 PRO 44 2HG PRO 44 -1.382 -11.528 -6.415 326 HG3 PRO 44 1HG PRO 44 -0.574 -12.745 -7.420 327 HD2 PRO 44 2HD PRO 44 0.276 -12.094 -4.923 328 HD3 PRO 44 1HD PRO 44 1.379 -12.634 -6.202 329 HA PRO 45 HA PRO 45 -0.900 -5.932 -6.257 330 HB2 PRO 45 2HB PRO 45 -2.189 -5.127 -8.526 331 HB3 PRO 45 1HB PRO 45 -0.479 -4.817 -8.209 332 HG2 PRO 45 2HG PRO 45 -1.738 -6.961 -9.875 333 HG3 PRO 45 1HG PRO 45 -0.313 -5.965 -10.223 334 HD2 PRO 45 2HD PRO 45 -0.102 -8.502 -9.341 335 HD3 PRO 45 1HD PRO 45 1.065 -7.246 -8.877 336 H TYR 46 H TYR 46 -2.508 -8.610 -7.772 337 HA TYR 46 HA TYR 46 -5.127 -7.659 -6.891 338 HB2 TYR 46 2HB TYR 46 -6.068 -9.475 -8.175 339 HB3 TYR 46 1HB TYR 46 -4.888 -8.623 -9.166 340 HD1 TYR 46 1HD TYR 46 -2.747 -9.677 -9.728 341 HD2 TYR 46 2HD TYR 46 -5.713 -11.756 -7.496 342 HE1 TYR 46 1HE TYR 46 -1.595 -11.801 -10.186 343 HE2 TYR 46 2HE TYR 46 -4.568 -13.885 -7.945 344 HH TYR 46 HH TYR 46 -2.276 -14.280 -10.295 345 H LEU 47 H LEU 47 -2.715 -8.995 -5.307 346 HA LEU 47 HA LEU 47 -4.498 -10.607 -3.618 347 HB2 LEU 47 2HB LEU 47 -1.696 -11.328 -4.466 348 HB3 LEU 47 1HB LEU 47 -2.555 -12.125 -3.163 349 HG LEU 47 HG LEU 47 -3.476 -12.078 -6.036 350 HD11 LEU 47 1HD1 LEU 47 -2.397 -14.022 -6.428 351 HD12 LEU 47 2HD1 LEU 47 -2.554 -14.573 -4.760 352 HD13 LEU 47 3HD1 LEU 47 -1.307 -13.402 -5.188 353 HD21 LEU 47 3HD2 LEU 47 -5.059 -12.417 -3.927 354 HD22 LEU 47 1HD2 LEU 47 -4.425 -14.058 -4.045 355 HD23 LEU 47 2HD2 LEU 47 -5.266 -13.336 -5.416 356 H GLN 48 H GLN 48 -2.765 -7.885 -3.745 357 HA GLN 48 HA GLN 48 -1.720 -8.147 -1.011 358 HB2 GLN 48 2HB GLN 48 -1.006 -6.231 -3.230 359 HB3 GLN 48 1HB GLN 48 -0.423 -6.063 -1.580 360 HG2 GLN 48 2HG GLN 48 0.716 -8.182 -1.721 361 HG3 GLN 48 1HG GLN 48 0.052 -8.463 -3.329 362 HE21 GLN 48 1HE2 GLN 48 0.406 -6.095 -4.573 363 HE22 GLN 48 2HE2 GLN 48 2.087 -5.718 -4.691 364 H CYS 49 H CYS 49 -3.083 -7.429 0.471 365 HA CYS 49 HA CYS 49 -4.820 -5.146 -0.153 366 HB2 CYS 49 2HB CYS 49 -6.027 -7.073 0.675 367 HB3 CYS 49 1HB CYS 49 -4.946 -7.211 2.054 368 HG CYS 49 HG CYS 49 -6.833 -5.992 3.114 369 H ILE 50 H ILE 50 -3.806 -3.297 0.282 370 HA ILE 50 HA ILE 50 -1.795 -3.065 2.305 371 HB ILE 50 HB ILE 50 -3.135 -0.846 0.762 372 HG12 ILE 50 2HG1 ILE 50 -0.460 -1.851 -0.024 373 HG13 ILE 50 1HG1 ILE 50 -1.822 -2.901 -0.399 374 HG21 ILE 50 1HG2 ILE 50 -1.935 0.011 2.644 375 HG22 ILE 50 2HG2 ILE 50 -0.974 0.321 1.198 376 HG23 ILE 50 3HG2 ILE 50 -0.537 -1.001 2.280 377 HD11 ILE 50 3HD1 ILE 50 -1.753 -0.008 -1.184 378 HD12 ILE 50 1HD1 ILE 50 -2.814 -1.282 -1.785 379 HD13 ILE 50 2HD1 ILE 50 -1.101 -1.294 -2.200 380 H ARG 51 H ARG 51 -1.798 -1.621 4.071 381 HA ARG 51 HA ARG 51 -4.346 -0.639 5.061 382 HB2 ARG 51 2HB ARG 51 -2.647 -2.521 6.708 383 HB3 ARG 51 1HB ARG 51 -4.154 -1.763 7.207 384 HG2 ARG 51 2HG ARG 51 -5.118 -3.003 5.113 385 HG3 ARG 51 1HG ARG 51 -3.700 -4.030 5.333 386 HD2 ARG 51 2HD ARG 51 -4.368 -4.467 7.638 387 HD3 ARG 51 1HD ARG 51 -5.771 -3.421 7.438 388 HE ARG 51 HE ARG 51 -5.884 -5.378 5.459 389 HH11 ARG 51 1HH1 ARG 51 -6.055 -5.163 8.938 390 HH12 ARG 51 2HH1 ARG 51 -7.078 -6.551 9.099 391 HH21 ARG 51 1HH2 ARG 51 -7.230 -7.204 5.668 392 HH22 ARG 51 2HH2 ARG 51 -7.744 -7.710 7.242 393 H TYR 52 H TYR 52 -4.131 1.088 6.486 394 HA TYR 52 HA TYR 52 -1.447 1.811 7.381 395 HB2 TYR 52 2HB TYR 52 -1.600 4.072 6.473 396 HB3 TYR 52 1HB TYR 52 -1.698 2.882 5.178 397 HD1 TYR 52 1HD TYR 52 -4.098 2.227 4.407 398 HD2 TYR 52 2HD TYR 52 -3.191 5.758 6.600 399 HE1 TYR 52 1HE TYR 52 -6.194 3.246 3.624 400 HE2 TYR 52 2HE TYR 52 -5.285 6.786 5.824 401 HH TYR 52 HH TYR 52 -7.771 5.323 4.767 402 H GLY 53 H GLY 53 -1.402 3.367 9.069 403 HA2 GLY 53 2HA GLY 53 -2.246 4.585 10.845 404 HA3 GLY 53 1HA GLY 53 -3.850 4.429 10.145 405 H PHE 54 H PHE 54 -3.387 4.235 12.878 406 HA PHE 54 HA PHE 54 -3.805 1.365 13.395 407 HB2 PHE 54 2HB PHE 54 -2.064 3.234 14.639 408 HB3 PHE 54 1HB PHE 54 -3.305 2.810 15.814 409 HD1 PHE 54 2HD PHE 54 -3.803 0.229 15.996 410 HD2 PHE 54 1HD PHE 54 -0.197 1.908 14.483 411 HE1 PHE 54 2HE PHE 54 -2.623 -1.875 16.482 412 HE2 PHE 54 1HE PHE 54 0.989 -0.192 14.966 413 HZ PHE 54 HZ PHE 54 -0.224 -2.088 15.967 414 HA PRO 55 HA PRO 55 -5.088 -0.109 14.156 415 HB2 PRO 55 2HB PRO 55 -7.428 -1.050 13.126 416 HB3 PRO 55 1HB PRO 55 -7.102 -0.954 14.861 417 HG2 PRO 55 2HG PRO 55 -8.648 0.924 13.116 418 HG3 PRO 55 1HG PRO 55 -9.042 0.323 14.738 419 HD2 PRO 55 2HD PRO 55 -7.993 2.775 14.334 420 HD3 PRO 55 1HD PRO 55 -7.609 1.811 15.774 421 HA PRO 56 HA PRO 56 -4.198 -0.013 9.844 422 HB2 PRO 56 2HB PRO 56 -4.528 -2.597 9.060 423 HB3 PRO 56 1HB PRO 56 -3.158 -2.048 10.032 424 HG2 PRO 56 2HG PRO 56 -5.674 -3.413 10.902 425 HG3 PRO 56 1HG PRO 56 -4.005 -3.693 11.435 426 HD2 PRO 56 2HD PRO 56 -5.772 -2.243 12.882 427 HD3 PRO 56 1HD PRO 56 -4.032 -1.894 12.878 428 H LYS 57 H LYS 57 -5.300 0.721 8.193 429 HA LYS 57 HA LYS 57 -8.142 0.169 7.950 430 HB2 LYS 57 2HB LYS 57 -6.324 2.066 6.454 431 HB3 LYS 57 1HB LYS 57 -8.056 1.930 6.183 432 HG2 LYS 57 2HG LYS 57 -7.063 2.484 8.934 433 HG3 LYS 57 1HG LYS 57 -7.081 3.785 7.743 434 HD2 LYS 57 2HD LYS 57 -9.561 2.302 7.710 435 HD3 LYS 57 1HD LYS 57 -9.207 2.917 9.326 436 HE2 LYS 57 2HE LYS 57 -8.762 4.815 7.119 437 HE3 LYS 57 1HE LYS 57 -10.440 4.346 7.387 438 HZ1 LYS 57 3HZ LYS 57 -8.665 5.923 9.060 439 HZ2 LYS 57 1HZ LYS 57 -9.674 4.838 9.878 440 HZ3 LYS 57 2HZ LYS 57 -10.343 6.018 8.870 441 H GLU 58 H GLU 58 -8.896 0.085 5.524 442 HA GLU 58 HA GLU 58 -7.283 -1.986 4.187 443 HB2 GLU 58 2HB GLU 58 -9.557 -2.645 5.186 444 HB3 GLU 58 1HB GLU 58 -10.264 -1.699 3.883 445 HG2 GLU 58 2HG GLU 58 -9.080 -3.114 2.251 446 HG3 GLU 58 1HG GLU 58 -8.461 -4.090 3.582 447 H LEU 59 H LEU 59 -6.253 -0.029 3.235 448 HA LEU 59 HA LEU 59 -7.367 1.869 1.640 449 HB2 LEU 59 2HB LEU 59 -4.920 1.501 2.195 450 HB3 LEU 59 1HB LEU 59 -4.877 0.366 0.861 451 HG LEU 59 HG LEU 59 -5.307 2.091 -0.737 452 HD11 LEU 59 1HD1 LEU 59 -5.358 4.520 0.372 453 HD12 LEU 59 2HD1 LEU 59 -6.165 3.609 1.650 454 HD13 LEU 59 3HD1 LEU 59 -6.818 3.599 0.012 455 HD21 LEU 59 3HD2 LEU 59 -3.390 3.561 -0.396 456 HD22 LEU 59 1HD2 LEU 59 -2.999 1.894 0.028 457 HD23 LEU 59 2HD2 LEU 59 -3.314 3.077 1.298 458 H MET 60 H MET 60 -9.221 1.030 0.644 459 HA MET 60 HA MET 60 -9.091 -1.095 -1.266 460 HB2 MET 60 2HB MET 60 -11.418 -0.525 -1.744 461 HB3 MET 60 1HB MET 60 -11.143 -0.597 -0.009 462 HG2 MET 60 2HG MET 60 -10.859 1.910 -0.089 463 HG3 MET 60 1HG MET 60 -11.482 1.833 -1.734 464 HE1 MET 60 3HE MET 60 -13.210 -0.661 1.124 465 HE2 MET 60 1HE MET 60 -13.658 0.726 2.114 466 HE3 MET 60 2HE MET 60 -11.966 0.445 1.706 467 HA PRO 61 HA PRO 61 -7.935 1.038 -4.927 468 HB2 PRO 61 2HB PRO 61 -9.675 0.019 -6.782 469 HB3 PRO 61 1HB PRO 61 -8.261 -0.847 -6.174 470 HG2 PRO 61 2HG PRO 61 -11.130 -1.102 -5.380 471 HG3 PRO 61 1HG PRO 61 -9.907 -2.368 -5.593 472 HD2 PRO 61 2HD PRO 61 -10.648 -1.454 -3.159 473 HD3 PRO 61 1HD PRO 61 -9.002 -2.017 -3.499 474 HA PRO 62 HA PRO 62 -10.610 4.580 -5.115 475 HB2 PRO 62 2HB PRO 62 -9.384 5.864 -7.177 476 HB3 PRO 62 1HB PRO 62 -8.743 5.840 -5.533 477 HG2 PRO 62 2HG PRO 62 -7.971 4.171 -7.894 478 HG3 PRO 62 1HG PRO 62 -6.932 4.948 -6.685 479 HD2 PRO 62 2HD PRO 62 -7.533 2.318 -6.597 480 HD3 PRO 62 1HD PRO 62 -7.287 3.284 -5.128 481 H GLN 63 H GLN 63 -11.457 5.974 -7.168 482 HA GLN 63 HA GLN 63 -12.520 4.103 -9.162 483 HB2 GLN 63 2HB GLN 63 -14.018 5.166 -7.049 484 HB3 GLN 63 1HB GLN 63 -14.474 6.120 -8.453 485 HG2 GLN 63 2HG GLN 63 -15.256 4.242 -9.616 486 HG3 GLN 63 1HG GLN 63 -14.447 3.124 -8.518 487 HE21 GLN 63 1HE2 GLN 63 -16.817 5.766 -8.383 488 HE22 GLN 63 2HE2 GLN 63 -17.889 4.975 -7.283 489 H ALA 64 H ALA 64 -14.149 5.887 -10.524 490 HA ALA 64 HA ALA 64 -12.359 7.170 -12.226 491 HB1 ALA 64 1HB ALA 64 -15.156 8.180 -11.972 492 HB2 ALA 64 2HB ALA 64 -14.875 6.528 -12.524 493 HB3 ALA 64 3HB ALA 64 -14.192 7.885 -13.420 494 H GLY 65 H GLY 65 -10.995 8.723 -11.587 495 HA2 GLY 65 2HA GLY 65 -10.840 11.151 -11.327 496 HA3 GLY 65 1HA GLY 65 -12.147 11.038 -10.158 497 H MET 66 H MET 66 -10.924 8.576 -8.986 498 HA MET 66 HA MET 66 -8.955 9.967 -7.317 499 HB2 MET 66 2HB MET 66 -10.945 7.830 -6.854 500 HB3 MET 66 1HB MET 66 -9.425 7.660 -5.988 501 HG2 MET 66 2HG MET 66 -9.848 9.396 -4.627 502 HG3 MET 66 1HG MET 66 -10.656 10.327 -5.886 503 HE1 MET 66 3HE MET 66 -10.600 7.831 -3.301 504 HE2 MET 66 1HE MET 66 -12.188 7.069 -3.212 505 HE3 MET 66 2HE MET 66 -11.896 8.600 -2.385 506 H GLU 67 H GLU 67 -9.316 7.322 -9.531 507 HA GLU 67 HA GLU 67 -7.172 5.699 -8.869 508 HB2 GLU 67 2HB GLU 67 -7.126 5.084 -11.284 509 HB3 GLU 67 1HB GLU 67 -8.732 5.026 -10.570 510 HG2 GLU 67 2HG GLU 67 -9.008 7.401 -11.501 511 HG3 GLU 67 1HG GLU 67 -7.603 7.019 -12.493 512 H LYS 68 H LYS 68 -7.204 8.810 -10.453 513 HA LYS 68 HA LYS 68 -4.433 8.654 -11.255 514 HB2 LYS 68 2HB LYS 68 -6.133 11.139 -11.189 515 HB3 LYS 68 1HB LYS 68 -4.732 10.810 -12.198 516 HG2 LYS 68 2HG LYS 68 -6.126 10.188 -13.801 517 HG3 LYS 68 1HG LYS 68 -6.552 8.790 -12.811 518 HD2 LYS 68 2HD LYS 68 -8.573 9.928 -13.424 519 HD3 LYS 68 1HD LYS 68 -8.290 10.189 -11.701 520 HE2 LYS 68 2HE LYS 68 -8.943 12.281 -12.590 521 HE3 LYS 68 1HE LYS 68 -7.202 12.374 -12.333 522 HZ1 LYS 68 3HZ LYS 68 -8.684 12.153 -14.872 523 HZ2 LYS 68 1HZ LYS 68 -7.069 11.656 -14.779 524 HZ3 LYS 68 2HZ LYS 68 -7.482 13.260 -14.434 525 H GLU 69 H GLU 69 -6.153 9.530 -8.437 526 HA GLU 69 HA GLU 69 -4.245 11.416 -7.423 527 HB2 GLU 69 2HB GLU 69 -6.613 9.981 -6.258 528 HB3 GLU 69 1HB GLU 69 -5.525 10.899 -5.227 529 HG2 GLU 69 2HG GLU 69 -6.890 12.072 -7.631 530 HG3 GLU 69 1HG GLU 69 -7.579 12.108 -6.009 531 HA PRO 70 HA PRO 70 -1.348 8.546 -5.730 532 HB2 PRO 70 2HB PRO 70 -0.179 10.066 -3.841 533 HB3 PRO 70 1HB PRO 70 0.043 10.380 -5.567 534 HG2 PRO 70 2HG PRO 70 -1.771 11.738 -3.613 535 HG3 PRO 70 1HG PRO 70 -0.759 12.450 -4.884 536 HD2 PRO 70 2HD PRO 70 -3.445 12.015 -5.154 537 HD3 PRO 70 1HD PRO 70 -2.312 12.036 -6.520 538 H VAL 71 H VAL 71 -0.695 7.462 -3.738 539 HA VAL 71 HA VAL 71 -2.891 6.579 -2.222 540 HB VAL 71 HB VAL 71 -1.067 5.562 -0.726 541 HG11 VAL 71 1HG1 VAL 71 -1.483 3.805 -2.013 542 HG12 VAL 71 2HG1 VAL 71 -0.351 4.407 -3.222 543 HG13 VAL 71 3HG1 VAL 71 -2.049 4.875 -3.296 544 HG21 VAL 71 3HG2 VAL 71 0.861 6.038 -2.912 545 HG22 VAL 71 1HG2 VAL 71 1.130 5.845 -1.180 546 HG23 VAL 71 2HG2 VAL 71 0.563 7.388 -1.817 547 HA PRO 72 HA PRO 72 -3.067 9.364 1.211 548 HB2 PRO 72 2HB PRO 72 -3.731 7.770 3.263 549 HB3 PRO 72 1HB PRO 72 -4.833 8.035 1.908 550 HG2 PRO 72 2HG PRO 72 -2.969 5.738 2.394 551 HG3 PRO 72 1HG PRO 72 -4.676 5.700 1.916 552 HD2 PRO 72 2HD PRO 72 -2.666 5.419 0.131 553 HD3 PRO 72 1HD PRO 72 -4.203 6.203 -0.285 554 H LEU 73 H LEU 73 -0.528 7.276 0.906 555 HA LEU 73 HA LEU 73 0.646 7.926 3.511 556 HB2 LEU 73 2HB LEU 73 2.064 6.130 1.633 557 HB3 LEU 73 1HB LEU 73 1.869 6.013 3.373 558 HG LEU 73 HG LEU 73 -0.440 5.473 1.526 559 HD11 LEU 73 1HD1 LEU 73 1.453 4.062 0.825 560 HD12 LEU 73 2HD1 LEU 73 0.111 3.141 1.502 561 HD13 LEU 73 3HD1 LEU 73 1.557 3.433 2.469 562 HD21 LEU 73 3HD2 LEU 73 -1.351 5.487 3.593 563 HD22 LEU 73 1HD2 LEU 73 0.182 5.134 4.392 564 HD23 LEU 73 2HD2 LEU 73 -0.732 3.835 3.623 565 H GLN 74 H GLN 74 2.818 8.703 3.635 566 HA GLN 74 HA GLN 74 3.859 9.936 1.184 567 HB2 GLN 74 2HB GLN 74 3.340 11.322 3.811 568 HB3 GLN 74 1HB GLN 74 4.421 11.975 2.588 569 HG2 GLN 74 2HG GLN 74 1.574 11.274 1.965 570 HG3 GLN 74 1HG GLN 74 2.025 12.837 2.645 571 HE21 GLN 74 1HE2 GLN 74 1.398 11.254 -0.146 572 HE22 GLN 74 2HE2 GLN 74 2.264 12.254 -1.256 573 H HIS 75 H HIS 75 6.076 11.073 1.869 574 HA HIS 75 HA HIS 75 7.890 9.032 2.374 575 HB2 HIS 75 2HB HIS 75 8.257 11.374 1.332 576 HB3 HIS 75 1HB HIS 75 8.531 11.904 2.989 577 HD1 HIS 75 1HD HIS 75 10.037 9.136 3.738 578 HD2 HIS 75 2HD HIS 75 10.944 11.757 0.644 579 HE1 HIS 75 1HE HIS 75 12.457 8.724 3.197 580 HE2 HIS 75 2HE HIS 75 12.962 10.265 1.268 581 H GLY 76 H GLY 76 7.996 7.875 4.177 582 HA2 GLY 76 2HA GLY 76 8.953 7.813 6.406 583 HA3 GLY 76 1HA GLY 76 8.153 9.343 6.731 584 H ASP 77 H ASP 77 6.104 7.312 4.989 585 HA ASP 77 HA ASP 77 4.570 6.789 7.411 586 HB2 ASP 77 2HB ASP 77 3.886 7.453 4.766 587 HB3 ASP 77 1HB ASP 77 3.329 5.800 4.997 588 H ARG 78 H ARG 78 3.211 4.599 7.064 589 HA ARG 78 HA ARG 78 4.930 2.413 6.214 590 HB2 ARG 78 2HB ARG 78 4.524 1.250 8.448 591 HB3 ARG 78 1HB ARG 78 5.711 2.545 8.439 592 HG2 ARG 78 2HG ARG 78 4.428 2.829 10.392 593 HG3 ARG 78 1HG ARG 78 3.886 4.072 9.263 594 HD2 ARG 78 2HD ARG 78 1.812 3.253 9.209 595 HD3 ARG 78 1HD ARG 78 2.386 1.602 8.987 596 HE ARG 78 HE ARG 78 1.638 2.870 11.471 597 HH11 ARG 78 1HH1 ARG 78 3.378 0.236 9.978 598 HH12 ARG 78 2HH1 ARG 78 3.314 -0.769 11.386 599 HH21 ARG 78 1HH2 ARG 78 1.554 1.548 13.323 600 HH22 ARG 78 2HH2 ARG 78 2.278 -0.025 13.284 601 H ILE 79 H ILE 79 3.823 0.591 5.647 602 HA ILE 79 HA ILE 79 0.922 0.592 6.107 603 HB ILE 79 HB ILE 79 0.880 -0.393 3.662 604 HG12 ILE 79 2HG1 ILE 79 3.175 1.565 3.499 605 HG13 ILE 79 1HG1 ILE 79 3.370 -0.183 3.433 606 HG21 ILE 79 1HG2 ILE 79 1.073 2.567 4.156 607 HG22 ILE 79 2HG2 ILE 79 -0.332 1.575 4.544 608 HG23 ILE 79 3HG2 ILE 79 0.182 1.759 2.867 609 HD11 ILE 79 3HD1 ILE 79 1.413 0.688 1.521 610 HD12 ILE 79 1HD1 ILE 79 2.910 -0.210 1.273 611 HD13 ILE 79 2HD1 ILE 79 2.934 1.553 1.307 612 H THR 80 H THR 80 -0.108 -1.471 5.687 613 HA THR 80 HA THR 80 1.721 -3.758 5.948 614 HB THR 80 HB THR 80 -0.900 -3.383 7.407 615 HG1 THR 80 1HG THR 80 1.750 -3.438 8.415 616 HG21 THR 80 3HG2 THR 80 -0.453 -5.405 8.561 617 HG22 THR 80 1HG2 THR 80 1.126 -5.566 7.794 618 HG23 THR 80 2HG2 THR 80 -0.343 -5.746 6.834 619 H ILE 81 H ILE 81 1.384 -5.322 4.522 620 HA ILE 81 HA ILE 81 -1.008 -5.178 2.839 621 HB ILE 81 HB ILE 81 1.473 -6.810 2.330 622 HG12 ILE 81 2HG1 ILE 81 2.188 -4.520 2.452 623 HG13 ILE 81 1HG1 ILE 81 2.097 -4.964 0.753 624 HG21 ILE 81 1HG2 ILE 81 0.656 -6.666 -0.026 625 HG22 ILE 81 2HG2 ILE 81 -0.824 -5.935 0.593 626 HG23 ILE 81 3HG2 ILE 81 -0.391 -7.579 1.060 627 HD11 ILE 81 3HD1 ILE 81 0.178 -3.266 2.315 628 HD12 ILE 81 1HD1 ILE 81 -0.160 -3.877 0.696 629 HD13 ILE 81 2HD1 ILE 81 1.202 -2.788 0.961 630 H GLU 82 H GLU 82 -2.057 -7.165 2.182 631 HA GLU 82 HA GLU 82 -1.657 -9.427 3.999 632 HB2 GLU 82 2HB GLU 82 -3.466 -8.490 5.102 633 HB3 GLU 82 1HB GLU 82 -4.166 -7.843 3.629 634 HG2 GLU 82 2HG GLU 82 -4.948 -10.011 2.973 635 HG3 GLU 82 1HG GLU 82 -4.088 -10.772 4.309 636 H ILE 83 H ILE 83 -1.279 -11.157 2.800 637 HA ILE 83 HA ILE 83 -1.728 -11.286 0.029 638 HB ILE 83 HB ILE 83 -1.236 -13.553 1.966 639 HG12 ILE 83 2HG1 ILE 83 1.044 -13.081 0.420 640 HG13 ILE 83 1HG1 ILE 83 0.470 -11.474 0.855 641 HG21 ILE 83 1HG2 ILE 83 -0.426 -14.747 -0.074 642 HG22 ILE 83 2HG2 ILE 83 -1.099 -13.437 -1.043 643 HG23 ILE 83 3HG2 ILE 83 -2.162 -14.438 -0.055 644 HD11 ILE 83 3HD1 ILE 83 0.308 -12.742 3.240 645 HD12 ILE 83 1HD1 ILE 83 1.698 -11.805 2.694 646 HD13 ILE 83 2HD1 ILE 83 1.689 -13.559 2.511 647 H LEU 84 H LEU 84 -3.681 -11.281 -0.854 648 HA LEU 84 HA LEU 84 -5.979 -12.380 0.472 649 HB2 LEU 84 2HB LEU 84 -5.777 -11.447 -2.387 650 HB3 LEU 84 1HB LEU 84 -7.234 -11.622 -1.430 651 HG LEU 84 HG LEU 84 -5.054 -9.579 -1.013 652 HD11 LEU 84 1HD1 LEU 84 -6.241 -8.623 -2.680 653 HD12 LEU 84 2HD1 LEU 84 -7.306 -8.175 -1.348 654 HD13 LEU 84 3HD1 LEU 84 -7.688 -9.576 -2.348 655 HD21 LEU 84 3HD2 LEU 84 -7.242 -10.526 0.721 656 HD22 LEU 84 1HD2 LEU 84 -7.077 -8.776 0.571 657 HD23 LEU 84 2HD2 LEU 84 -5.717 -9.744 1.137 658 H LYS 85 H LYS 85 -7.491 -13.791 -0.977 659 HA LYS 85 HA LYS 85 -5.941 -16.159 -1.683 660 HB2 LYS 85 2HB LYS 85 -8.110 -15.972 -0.133 661 HB3 LYS 85 1HB LYS 85 -8.914 -16.196 -1.680 662 HG2 LYS 85 2HG LYS 85 -8.726 -18.365 -1.044 663 HG3 LYS 85 1HG LYS 85 -7.185 -18.185 -1.884 664 HD2 LYS 85 2HD LYS 85 -7.381 -17.599 1.043 665 HD3 LYS 85 1HD LYS 85 -7.241 -19.265 0.480 666 HE2 LYS 85 2HE LYS 85 -5.211 -18.551 -0.813 667 HE3 LYS 85 1HE LYS 85 -5.314 -16.997 0.014 668 HZ1 LYS 85 3HZ LYS 85 -3.897 -19.054 0.921 669 HZ2 LYS 85 1HZ LYS 85 -5.359 -19.345 1.722 670 HZ3 LYS 85 2HZ LYS 85 -4.559 -17.869 1.929 671 H GLY 86 H GLY 86 -5.217 -15.864 -3.726 672 HA2 GLY 86 2HA GLY 86 -6.891 -14.802 -5.813 673 HA3 GLY 86 1HA GLY 86 -5.269 -15.448 -6.004 Start of MODEL 17 1 H1 LYS 6 H LYS 6 12.745 11.507 -8.060 2 HA LYS 6 HA LYS 6 13.758 11.846 -5.320 3 HB2 LYS 6 2HB LYS 6 13.948 13.766 -7.323 4 HB3 LYS 6 1HB LYS 6 12.536 14.261 -6.399 5 HG2 LYS 6 2HG LYS 6 14.573 15.326 -5.587 6 HG3 LYS 6 1HG LYS 6 13.852 14.283 -4.359 7 HD2 LYS 6 2HD LYS 6 15.694 13.035 -4.238 8 HD3 LYS 6 1HD LYS 6 15.730 12.815 -5.988 9 HE2 LYS 6 2HE LYS 6 16.527 15.493 -5.198 10 HE3 LYS 6 1HE LYS 6 17.543 14.252 -4.463 11 HZ1 LYS 6 3HZ LYS 6 18.420 13.682 -6.437 12 HZ2 LYS 6 1HZ LYS 6 17.941 15.236 -6.903 13 HZ3 LYS 6 2HZ LYS 6 16.975 13.902 -7.288 14 H GLU 7 H GLU 7 12.089 10.386 -4.684 15 HA GLU 7 HA GLU 7 9.441 11.664 -4.593 16 HB2 GLU 7 2HB GLU 7 8.385 9.478 -4.846 17 HB3 GLU 7 1HB GLU 7 9.387 9.856 -6.238 18 HG2 GLU 7 2HG GLU 7 11.162 8.509 -4.736 19 HG3 GLU 7 1HG GLU 7 9.663 7.735 -4.221 20 H LYS 8 H LYS 8 8.236 9.601 -3.029 21 HA LYS 8 HA LYS 8 9.563 10.148 -0.476 22 HB2 LYS 8 2HB LYS 8 7.351 9.480 0.516 23 HB3 LYS 8 1HB LYS 8 7.312 10.925 -0.482 24 HG2 LYS 8 2HG LYS 8 6.505 9.460 -2.366 25 HG3 LYS 8 1HG LYS 8 6.321 8.175 -1.173 26 HD2 LYS 8 2HD LYS 8 5.019 10.155 0.088 27 HD3 LYS 8 1HD LYS 8 4.732 10.632 -1.586 28 HE2 LYS 8 2HE LYS 8 4.162 8.038 -1.798 29 HE3 LYS 8 1HE LYS 8 3.782 8.253 -0.089 30 HZ1 LYS 8 3HZ LYS 8 1.879 8.604 -1.625 31 HZ2 LYS 8 1HZ LYS 8 2.673 9.962 -2.246 32 HZ3 LYS 8 2HZ LYS 8 2.202 9.928 -0.623 33 H LYS 9 H LYS 9 9.324 8.454 1.217 34 HA LYS 9 HA LYS 9 9.572 5.739 0.106 35 HB2 LYS 9 2HB LYS 9 11.810 6.519 0.586 36 HB3 LYS 9 1HB LYS 9 11.326 7.053 2.189 37 HG2 LYS 9 2HG LYS 9 10.740 4.255 1.817 38 HG3 LYS 9 1HG LYS 9 12.440 4.600 1.489 39 HD2 LYS 9 2HD LYS 9 11.366 5.919 3.882 40 HD3 LYS 9 1HD LYS 9 11.383 4.156 3.964 41 HE2 LYS 9 2HE LYS 9 13.796 5.680 3.051 42 HE3 LYS 9 1HE LYS 9 13.459 5.466 4.769 43 HZ1 LYS 9 3HZ LYS 9 14.795 3.671 4.282 44 HZ2 LYS 9 1HZ LYS 9 14.126 3.433 2.746 45 HZ3 LYS 9 2HZ LYS 9 13.253 2.993 4.126 46 H ILE 10 H ILE 10 8.456 4.194 1.161 47 HA ILE 10 HA ILE 10 7.401 4.810 3.835 48 HB ILE 10 HB ILE 10 5.553 3.226 2.209 49 HG12 ILE 10 2HG1 ILE 10 6.415 4.833 0.489 50 HG13 ILE 10 1HG1 ILE 10 4.700 5.014 0.837 51 HG21 ILE 10 1HG2 ILE 10 5.474 5.424 4.203 52 HG22 ILE 10 2HG2 ILE 10 4.633 3.874 4.192 53 HG23 ILE 10 3HG2 ILE 10 4.069 5.192 3.164 54 HD11 ILE 10 3HD1 ILE 10 6.567 7.024 0.781 55 HD12 ILE 10 1HD1 ILE 10 6.362 6.711 2.504 56 HD13 ILE 10 2HD1 ILE 10 4.963 7.115 1.509 57 H ARG 11 H ARG 11 6.577 2.854 4.976 58 HA ARG 11 HA ARG 11 8.362 0.597 4.418 59 HB2 ARG 11 2HB ARG 11 8.468 1.579 6.664 60 HB3 ARG 11 1HB ARG 11 6.755 1.256 6.892 61 HG2 ARG 11 2HG ARG 11 7.174 -1.138 6.755 62 HG3 ARG 11 1HG ARG 11 8.891 -0.829 6.490 63 HD2 ARG 11 2HD ARG 11 7.375 0.074 8.933 64 HD3 ARG 11 1HD ARG 11 8.278 -1.437 8.842 65 HE ARG 11 HE ARG 11 9.354 1.214 9.133 66 HH11 ARG 11 1HH1 ARG 11 10.019 -2.045 8.075 67 HH12 ARG 11 2HH1 ARG 11 11.730 -1.897 8.286 68 HH21 ARG 11 1HH2 ARG 11 11.608 1.409 9.410 69 HH22 ARG 11 2HH2 ARG 11 12.633 0.062 9.045 70 H ILE 12 H ILE 12 7.552 -1.599 4.682 71 HA ILE 12 HA ILE 12 4.666 -1.916 4.274 72 HB ILE 12 HB ILE 12 6.736 -3.262 2.532 73 HG12 ILE 12 2HG1 ILE 12 4.640 -1.384 1.503 74 HG13 ILE 12 1HG1 ILE 12 6.134 -0.732 2.171 75 HG21 ILE 12 1HG2 ILE 12 3.726 -3.364 2.452 76 HG22 ILE 12 2HG2 ILE 12 4.790 -4.654 3.014 77 HG23 ILE 12 3HG2 ILE 12 4.820 -4.160 1.322 78 HD11 ILE 12 3HD1 ILE 12 6.204 -0.983 -0.271 79 HD12 ILE 12 1HD1 ILE 12 5.979 -2.721 -0.083 80 HD13 ILE 12 2HD1 ILE 12 7.435 -1.948 0.543 81 H THR 13 H THR 13 3.828 -3.895 4.951 82 HA THR 13 HA THR 13 5.625 -5.936 5.937 83 HB THR 13 HB THR 13 3.615 -4.972 7.916 84 HG1 THR 13 1HG THR 13 4.626 -3.149 8.060 85 HG21 THR 13 3HG2 THR 13 6.019 -6.650 7.895 86 HG22 THR 13 1HG2 THR 13 4.559 -6.757 8.877 87 HG23 THR 13 2HG2 THR 13 5.822 -5.596 9.295 88 H THR 14 H THR 14 4.815 -7.762 5.145 89 HA THR 14 HA THR 14 1.990 -7.956 4.560 90 HB THR 14 HB THR 14 2.472 -9.706 3.185 91 HG1 THR 14 1HG THR 14 3.348 -11.356 4.089 92 HG21 THR 14 3HG2 THR 14 3.953 -7.811 2.544 93 HG22 THR 14 1HG2 THR 14 4.511 -9.399 2.015 94 HG23 THR 14 2HG2 THR 14 5.259 -8.619 3.410 95 H ASN 15 H ASN 15 0.550 -9.316 5.418 96 HA ASN 15 HA ASN 15 0.564 -9.843 8.114 97 HB2 ASN 15 2HB ASN 15 -1.524 -10.727 7.788 98 HB3 ASN 15 1HB ASN 15 -1.325 -9.924 6.243 99 HD21 ASN 15 1HD2 ASN 15 -0.280 -11.331 4.542 100 HD22 ASN 15 2HD2 ASN 15 -0.859 -12.955 4.436 101 H ASP 16 H ASP 16 1.934 -11.753 5.551 102 HA ASP 16 HA ASP 16 2.022 -14.243 6.841 103 HB2 ASP 16 2HB ASP 16 2.898 -13.227 4.409 104 HB3 ASP 16 1HB ASP 16 4.382 -13.729 5.215 105 H GLY 17 H GLY 17 3.724 -11.336 7.469 106 HA2 GLY 17 2HA GLY 17 4.811 -11.149 9.627 107 HA3 GLY 17 1HA GLY 17 5.409 -12.786 9.404 108 H ARG 18 H ARG 18 5.451 -10.395 6.833 109 HA ARG 18 HA ARG 18 8.359 -10.102 7.234 110 HB2 ARG 18 2HB ARG 18 8.853 -10.525 4.975 111 HB3 ARG 18 1HB ARG 18 7.717 -11.787 5.424 112 HG2 ARG 18 2HG ARG 18 5.910 -10.398 4.410 113 HG3 ARG 18 1HG ARG 18 7.163 -9.317 3.808 114 HD2 ARG 18 2HD ARG 18 6.470 -10.948 2.113 115 HD3 ARG 18 1HD ARG 18 8.165 -11.130 2.557 116 HE ARG 18 HE ARG 18 7.666 -13.157 3.587 117 HH11 ARG 18 1HH1 ARG 18 4.752 -11.620 2.425 118 HH12 ARG 18 2HH1 ARG 18 3.816 -13.074 2.487 119 HH21 ARG 18 1HH2 ARG 18 6.437 -15.065 3.662 120 HH22 ARG 18 2HH2 ARG 18 4.775 -15.032 3.179 121 H GLN 19 H GLN 19 9.302 -8.184 6.286 122 HA GLN 19 HA GLN 19 7.400 -6.109 5.494 123 HB2 GLN 19 2HB GLN 19 8.920 -4.565 7.034 124 HB3 GLN 19 1HB GLN 19 7.485 -5.369 7.647 125 HG2 GLN 19 2HG GLN 19 8.673 -6.497 9.134 126 HG3 GLN 19 1HG GLN 19 9.772 -7.090 7.892 127 HE21 GLN 19 1HE2 GLN 19 9.285 -4.840 10.427 128 HE22 GLN 19 2HE2 GLN 19 10.847 -4.102 10.376 129 H SER 20 H SER 20 8.352 -4.261 4.486 130 HA SER 20 HA SER 20 11.124 -4.199 3.805 131 HB2 SER 20 2HB SER 20 9.618 -5.904 2.227 132 HB3 SER 20 1HB SER 20 9.644 -4.411 1.288 133 HG SER 20 HG SER 20 11.694 -6.157 1.905 134 H MET 21 H MET 21 11.700 -2.281 2.666 135 HA MET 21 HA MET 21 9.624 -0.215 2.818 136 HB2 MET 21 2HB MET 21 11.322 1.386 3.113 137 HB3 MET 21 1HB MET 21 11.834 0.011 4.077 138 HG2 MET 21 2HG MET 21 12.829 0.333 1.278 139 HG3 MET 21 1HG MET 21 13.545 1.259 2.592 140 HE1 MET 21 3HE MET 21 14.056 -3.128 1.597 141 HE2 MET 21 1HE MET 21 14.426 -1.766 0.541 142 HE3 MET 21 2HE MET 21 12.763 -2.069 1.038 143 H VAL 22 H VAL 22 9.609 1.479 1.187 144 HA VAL 22 HA VAL 22 10.641 0.673 -1.425 145 HB VAL 22 HB VAL 22 8.363 1.262 -2.405 146 HG11 VAL 22 1HG1 VAL 22 7.490 -1.030 -2.017 147 HG12 VAL 22 2HG1 VAL 22 8.735 -1.248 -0.788 148 HG13 VAL 22 3HG1 VAL 22 9.195 -0.987 -2.470 149 HG21 VAL 22 3HG2 VAL 22 6.429 0.970 -0.995 150 HG22 VAL 22 1HG2 VAL 22 7.450 2.245 -0.333 151 HG23 VAL 22 2HG2 VAL 22 7.458 0.640 0.398 152 H THR 23 H THR 23 10.065 2.409 -3.098 153 HA THR 23 HA THR 23 10.438 5.054 -1.856 154 HB THR 23 HB THR 23 12.345 4.127 -3.222 155 HG1 THR 23 1HG THR 23 11.126 6.571 -3.539 156 HG21 THR 23 3HG2 THR 23 12.193 3.572 -5.374 157 HG22 THR 23 1HG2 THR 23 11.081 4.891 -5.740 158 HG23 THR 23 2HG2 THR 23 10.471 3.393 -5.038 159 H LEU 24 H LEU 24 7.885 4.219 -2.044 160 HA LEU 24 HA LEU 24 6.368 4.493 -4.265 161 HB2 LEU 24 2HB LEU 24 5.853 4.398 -1.592 162 HB3 LEU 24 1HB LEU 24 5.297 6.013 -1.989 163 HG LEU 24 HG LEU 24 3.857 5.010 -3.775 164 HD11 LEU 24 1HD1 LEU 24 3.426 2.630 -3.733 165 HD12 LEU 24 2HD1 LEU 24 4.617 2.411 -2.450 166 HD13 LEU 24 3HD1 LEU 24 5.134 2.929 -4.054 167 HD21 LEU 24 3HD2 LEU 24 2.968 5.620 -1.577 168 HD22 LEU 24 1HD2 LEU 24 3.374 4.015 -0.969 169 HD23 LEU 24 2HD2 LEU 24 2.158 4.198 -2.233 170 H LYS 25 H LYS 25 5.870 6.006 -5.704 171 HA LYS 25 HA LYS 25 7.195 8.507 -5.710 172 HB2 LYS 25 2HB LYS 25 5.700 6.923 -7.551 173 HB3 LYS 25 1HB LYS 25 5.032 8.550 -7.558 174 HG2 LYS 25 2HG LYS 25 7.683 9.087 -7.655 175 HG3 LYS 25 1HG LYS 25 7.616 7.558 -8.533 176 HD2 LYS 25 2HD LYS 25 7.374 9.438 -10.061 177 HD3 LYS 25 1HD LYS 25 5.888 8.487 -10.004 178 HE2 LYS 25 2HE LYS 25 4.697 10.160 -9.070 179 HE3 LYS 25 1HE LYS 25 6.048 10.706 -8.077 180 HZ1 LYS 25 3HZ LYS 25 5.960 12.427 -9.515 181 HZ2 LYS 25 1HZ LYS 25 5.270 11.517 -10.764 182 HZ3 LYS 25 2HZ LYS 25 6.931 11.414 -10.459 183 H SER 26 H SER 26 6.247 10.617 -5.717 184 HA SER 26 HA SER 26 4.462 11.068 -3.595 185 HB2 SER 26 2HB SER 26 5.655 12.777 -5.742 186 HB3 SER 26 1HB SER 26 4.340 13.430 -4.763 187 HG SER 26 HG SER 26 5.652 13.586 -3.124 188 H SER 27 H SER 27 3.966 10.703 -7.036 189 HA SER 27 HA SER 27 1.091 11.216 -6.664 190 HB2 SER 27 2HB SER 27 2.508 11.065 -9.323 191 HB3 SER 27 1HB SER 27 0.940 11.785 -8.960 192 HG SER 27 HG SER 27 3.504 12.794 -8.566 193 H THR 28 H THR 28 2.175 8.782 -5.801 194 HA THR 28 HA THR 28 1.472 6.846 -7.876 195 HB THR 28 HB THR 28 3.007 6.728 -5.316 196 HG1 THR 28 1HG THR 28 4.334 5.421 -6.764 197 HG21 THR 28 3HG2 THR 28 3.020 4.129 -5.915 198 HG22 THR 28 1HG2 THR 28 1.353 4.510 -6.341 199 HG23 THR 28 2HG2 THR 28 1.941 4.835 -4.712 200 H THR 29 H THR 29 -0.508 6.062 -7.979 201 HA THR 29 HA THR 29 -2.326 6.399 -5.732 202 HB THR 29 HB THR 29 -3.240 7.051 -7.832 203 HG1 THR 29 1HG THR 29 -4.344 4.481 -7.544 204 HG21 THR 29 3HG2 THR 29 -3.546 5.239 -9.633 205 HG22 THR 29 1HG2 THR 29 -2.175 4.455 -8.848 206 HG23 THR 29 2HG2 THR 29 -1.999 6.078 -9.515 207 H PHE 30 H PHE 30 -3.983 4.439 -5.586 208 HA PHE 30 HA PHE 30 -2.771 2.378 -4.255 209 HB2 PHE 30 2HB PHE 30 -5.193 2.818 -4.189 210 HB3 PHE 30 1HB PHE 30 -5.348 2.200 -5.830 211 HD1 PHE 30 2HD PHE 30 -4.244 1.207 -2.423 212 HD2 PHE 30 1HD PHE 30 -5.775 -0.047 -6.190 213 HE1 PHE 30 2HE PHE 30 -4.561 -1.066 -1.533 214 HE2 PHE 30 1HE PHE 30 -6.096 -2.321 -5.307 215 HZ PHE 30 HZ PHE 30 -5.488 -2.833 -2.976 216 H PHE 31 H PHE 31 -3.633 2.468 -7.695 217 HA PHE 31 HA PHE 31 -2.896 -0.156 -8.337 218 HB2 PHE 31 2HB PHE 31 -2.704 2.280 -10.120 219 HB3 PHE 31 1HB PHE 31 -2.800 0.603 -10.648 220 HD1 PHE 31 1HD PHE 31 -4.904 -0.697 -10.141 221 HD2 PHE 31 2HD PHE 31 -4.636 3.529 -9.713 222 HE1 PHE 31 1HE PHE 31 -7.360 -0.539 -10.204 223 HE2 PHE 31 2HE PHE 31 -7.090 3.694 -9.774 224 HZ PHE 31 HZ PHE 31 -8.455 1.660 -10.020 225 H GLU 32 H GLU 32 -1.012 2.857 -8.521 226 HA GLU 32 HA GLU 32 1.372 1.674 -9.437 227 HB2 GLU 32 2HB GLU 32 0.636 4.269 -8.175 228 HB3 GLU 32 1HB GLU 32 2.337 3.826 -8.201 229 HG2 GLU 32 2HG GLU 32 1.495 3.319 -10.778 230 HG3 GLU 32 1HG GLU 32 0.631 4.790 -10.335 231 H LEU 33 H LEU 33 -0.024 2.006 -6.262 232 HA LEU 33 HA LEU 33 2.373 1.377 -4.826 233 HB2 LEU 33 2HB LEU 33 0.713 2.654 -3.690 234 HB3 LEU 33 1HB LEU 33 -0.534 1.476 -4.046 235 HG LEU 33 HG LEU 33 0.382 -0.086 -2.475 236 HD11 LEU 33 1HD1 LEU 33 2.410 0.231 -1.276 237 HD12 LEU 33 2HD1 LEU 33 2.607 1.862 -1.919 238 HD13 LEU 33 3HD1 LEU 33 2.771 0.467 -2.986 239 HD21 LEU 33 3HD2 LEU 33 -1.049 1.635 -1.534 240 HD22 LEU 33 1HD2 LEU 33 0.343 2.694 -1.307 241 HD23 LEU 33 2HD2 LEU 33 0.217 1.195 -0.387 242 H GLN 34 H GLN 34 -0.484 -0.428 -5.874 243 HA GLN 34 HA GLN 34 0.099 -2.856 -4.606 244 HB2 GLN 34 2HB GLN 34 -1.412 -2.251 -7.148 245 HB3 GLN 34 1HB GLN 34 -1.323 -3.860 -6.445 246 HG2 GLN 34 2HG GLN 34 -2.155 -1.773 -4.571 247 HG3 GLN 34 1HG GLN 34 -3.257 -2.022 -5.924 248 HE21 GLN 34 1HE2 GLN 34 -1.239 -4.179 -3.955 249 HE22 GLN 34 2HE2 GLN 34 -2.519 -5.252 -3.513 250 H GLU 35 H GLU 35 1.355 -1.403 -7.510 251 HA GLU 35 HA GLU 35 2.599 -3.828 -8.456 252 HB2 GLU 35 2HB GLU 35 1.831 -2.122 -10.042 253 HB3 GLU 35 1HB GLU 35 2.948 -0.958 -9.343 254 HG2 GLU 35 2HG GLU 35 4.663 -1.724 -10.533 255 HG3 GLU 35 1HG GLU 35 4.263 -3.407 -10.191 256 H SER 36 H SER 36 3.440 -1.175 -6.392 257 HA SER 36 HA SER 36 6.269 -1.454 -6.581 258 HB2 SER 36 2HB SER 36 4.481 -0.138 -4.531 259 HB3 SER 36 1HB SER 36 6.240 -0.109 -4.430 260 HG SER 36 HG SER 36 4.714 0.848 -6.624 261 H ILE 37 H ILE 37 3.885 -2.485 -4.144 262 HA ILE 37 HA ILE 37 5.655 -3.806 -2.436 263 HB ILE 37 HB ILE 37 2.791 -4.596 -2.983 264 HG12 ILE 37 2HG1 ILE 37 3.314 -2.933 -0.632 265 HG13 ILE 37 1HG1 ILE 37 3.680 -2.112 -2.147 266 HG21 ILE 37 1HG2 ILE 37 4.328 -6.124 -1.627 267 HG22 ILE 37 2HG2 ILE 37 2.788 -5.661 -0.901 268 HG23 ILE 37 3HG2 ILE 37 4.278 -4.866 -0.393 269 HD11 ILE 37 3HD1 ILE 37 1.362 -2.860 -2.903 270 HD12 ILE 37 1HD1 ILE 37 1.460 -1.576 -1.697 271 HD13 ILE 37 2HD1 ILE 37 1.067 -3.223 -1.202 272 H ALA 38 H ALA 38 4.004 -4.903 -5.346 273 HA ALA 38 HA ALA 38 4.578 -7.636 -5.150 274 HB1 ALA 38 1HB ALA 38 3.087 -7.324 -6.821 275 HB2 ALA 38 2HB ALA 38 4.545 -7.299 -7.811 276 HB3 ALA 38 3HB ALA 38 3.792 -5.784 -7.313 277 H ARG 39 H ARG 39 6.654 -4.978 -5.716 278 HA ARG 39 HA ARG 39 8.689 -6.585 -7.044 279 HB2 ARG 39 2HB ARG 39 9.181 -3.793 -6.092 280 HB3 ARG 39 1HB ARG 39 9.804 -4.609 -7.518 281 HG2 ARG 39 2HG ARG 39 7.340 -4.547 -8.322 282 HG3 ARG 39 1HG ARG 39 7.162 -3.286 -7.100 283 HD2 ARG 39 2HD ARG 39 8.638 -1.857 -8.175 284 HD3 ARG 39 1HD ARG 39 9.401 -3.166 -9.077 285 HE ARG 39 HE ARG 39 6.678 -2.878 -9.814 286 HH11 ARG 39 1HH1 ARG 39 9.819 -1.419 -10.240 287 HH12 ARG 39 2HH1 ARG 39 9.432 -0.737 -11.784 288 HH21 ARG 39 1HH2 ARG 39 6.165 -1.978 -11.844 289 HH22 ARG 39 2HH2 ARG 39 7.357 -1.053 -12.693 290 H GLU 40 H GLU 40 8.176 -4.851 -4.006 291 HA GLU 40 HA GLU 40 10.692 -5.583 -2.886 292 HB2 GLU 40 2HB GLU 40 8.388 -4.006 -2.112 293 HB3 GLU 40 1HB GLU 40 8.978 -4.975 -0.769 294 HG2 GLU 40 2HG GLU 40 9.989 -2.763 -0.804 295 HG3 GLU 40 1HG GLU 40 11.192 -4.031 -1.023 296 H PHE 41 H PHE 41 7.527 -7.035 -2.964 297 HA PHE 41 HA PHE 41 8.539 -9.214 -1.259 298 HB2 PHE 41 2HB PHE 41 5.662 -8.331 -1.552 299 HB3 PHE 41 1HB PHE 41 6.263 -9.601 -0.490 300 HD1 PHE 41 1HD PHE 41 6.618 -5.961 -1.173 301 HD2 PHE 41 2HD PHE 41 6.842 -9.097 1.692 302 HE1 PHE 41 1HE PHE 41 6.970 -4.303 0.610 303 HE2 PHE 41 2HE PHE 41 7.191 -7.444 3.480 304 HZ PHE 41 HZ PHE 41 7.257 -5.047 2.941 305 H ASN 42 H ASN 42 6.779 -11.171 -1.661 306 HA ASN 42 HA ASN 42 7.001 -11.700 -4.547 307 HB2 ASN 42 2HB ASN 42 6.806 -13.739 -2.325 308 HB3 ASN 42 1HB ASN 42 7.177 -14.044 -4.019 309 HD21 ASN 42 1HD2 ASN 42 9.033 -12.264 -4.660 310 HD22 ASN 42 2HD2 ASN 42 10.445 -12.442 -3.682 311 H ILE 43 H ILE 43 4.815 -10.253 -3.869 312 HA ILE 43 HA ILE 43 2.664 -12.200 -4.267 313 HB ILE 43 HB ILE 43 2.391 -9.800 -2.456 314 HG12 ILE 43 2HG1 ILE 43 1.943 -12.038 -0.919 315 HG13 ILE 43 1HG1 ILE 43 3.273 -12.554 -1.952 316 HG21 ILE 43 1HG2 ILE 43 0.482 -12.098 -2.796 317 HG22 ILE 43 2HG2 ILE 43 0.374 -10.620 -3.752 318 HG23 ILE 43 3HG2 ILE 43 0.201 -10.550 -1.998 319 HD11 ILE 43 3HD1 ILE 43 3.325 -9.997 -0.385 320 HD12 ILE 43 1HD1 ILE 43 4.669 -10.824 -1.171 321 HD13 ILE 43 2HD1 ILE 43 3.907 -11.535 0.252 322 HA PRO 44 HA PRO 44 1.784 -9.474 -7.656 323 HB2 PRO 44 2HB PRO 44 -0.654 -10.445 -8.328 324 HB3 PRO 44 1HB PRO 44 0.849 -11.305 -8.682 325 HG2 PRO 44 2HG PRO 44 -1.094 -11.728 -6.445 326 HG3 PRO 44 1HG PRO 44 -0.269 -12.932 -7.453 327 HD2 PRO 44 2HD PRO 44 0.563 -12.294 -4.949 328 HD3 PRO 44 1HD PRO 44 1.681 -12.801 -6.230 329 HA PRO 45 HA PRO 45 -0.819 -6.189 -6.295 330 HB2 PRO 45 2HB PRO 45 -2.168 -5.440 -8.529 331 HB3 PRO 45 1HB PRO 45 -0.448 -5.116 -8.289 332 HG2 PRO 45 2HG PRO 45 -1.762 -7.302 -9.857 333 HG3 PRO 45 1HG PRO 45 -0.365 -6.299 -10.290 334 HD2 PRO 45 2HD PRO 45 -0.103 -8.822 -9.352 335 HD3 PRO 45 1HD PRO 45 1.090 -7.551 -9.010 336 H TYR 46 H TYR 46 -2.351 -8.943 -7.754 337 HA TYR 46 HA TYR 46 -4.990 -8.093 -6.834 338 HB2 TYR 46 2HB TYR 46 -5.868 -9.982 -8.066 339 HB3 TYR 46 1HB TYR 46 -4.762 -9.078 -9.095 340 HD1 TYR 46 1HD TYR 46 -2.530 -10.006 -9.624 341 HD2 TYR 46 2HD TYR 46 -5.417 -12.245 -7.443 342 HE1 TYR 46 1HE TYR 46 -1.270 -12.067 -10.086 343 HE2 TYR 46 2HE TYR 46 -4.165 -14.312 -7.898 344 HH TYR 46 HH TYR 46 -1.720 -14.902 -8.448 345 H LEU 47 H LEU 47 -2.517 -9.254 -5.247 346 HA LEU 47 HA LEU 47 -4.187 -10.927 -3.503 347 HB2 LEU 47 2HB LEU 47 -1.352 -11.564 -4.321 348 HB3 LEU 47 1HB LEU 47 -2.279 -12.433 -3.112 349 HG LEU 47 HG LEU 47 -3.015 -12.255 -6.035 350 HD11 LEU 47 1HD1 LEU 47 -1.920 -14.191 -6.435 351 HD12 LEU 47 2HD1 LEU 47 -2.178 -14.803 -4.801 352 HD13 LEU 47 3HD1 LEU 47 -0.907 -13.620 -5.109 353 HD21 LEU 47 3HD2 LEU 47 -4.905 -13.361 -5.560 354 HD22 LEU 47 1HD2 LEU 47 -4.655 -12.772 -3.916 355 HD23 LEU 47 2HD2 LEU 47 -4.115 -14.389 -4.364 356 H GLN 48 H GLN 48 -2.541 -8.149 -3.719 357 HA GLN 48 HA GLN 48 -1.422 -8.331 -1.008 358 HB2 GLN 48 2HB GLN 48 -0.813 -6.447 -3.284 359 HB3 GLN 48 1HB GLN 48 -0.213 -6.208 -1.649 360 HG2 GLN 48 2HG GLN 48 1.029 -8.254 -1.742 361 HG3 GLN 48 1HG GLN 48 0.315 -8.665 -3.299 362 HE21 GLN 48 1HE2 GLN 48 0.511 -6.364 -4.697 363 HE22 GLN 48 2HE2 GLN 48 2.167 -5.925 -4.909 364 H CYS 49 H CYS 49 -2.771 -7.625 0.494 365 HA CYS 49 HA CYS 49 -4.558 -5.376 -0.134 366 HB2 CYS 49 2HB CYS 49 -5.738 -7.356 0.632 367 HB3 CYS 49 1HB CYS 49 -4.705 -7.465 2.052 368 HG CYS 49 HG CYS 49 -6.161 -5.880 3.222 369 H ILE 50 H ILE 50 -3.554 -3.530 0.349 370 HA ILE 50 HA ILE 50 -1.624 -3.307 2.457 371 HB ILE 50 HB ILE 50 -2.911 -1.072 0.890 372 HG12 ILE 50 2HG1 ILE 50 -0.211 -1.993 0.147 373 HG13 ILE 50 1HG1 ILE 50 -1.501 -3.135 -0.216 374 HG21 ILE 50 1HG2 ILE 50 -0.560 -1.278 2.714 375 HG22 ILE 50 2HG2 ILE 50 -1.804 -0.031 2.617 376 HG23 ILE 50 3HG2 ILE 50 -0.535 -0.109 1.393 377 HD11 ILE 50 3HD1 ILE 50 -1.554 -0.257 -1.074 378 HD12 ILE 50 1HD1 ILE 50 -2.600 -1.571 -1.614 379 HD13 ILE 50 2HD1 ILE 50 -0.894 -1.561 -2.061 380 H ARG 51 H ARG 51 -1.727 -1.885 4.248 381 HA ARG 51 HA ARG 51 -4.337 -0.934 5.108 382 HB2 ARG 51 2HB ARG 51 -2.712 -2.845 6.798 383 HB3 ARG 51 1HB ARG 51 -4.215 -2.066 7.271 384 HG2 ARG 51 2HG ARG 51 -5.097 -3.265 5.083 385 HG3 ARG 51 1HG ARG 51 -3.752 -4.351 5.442 386 HD2 ARG 51 2HD ARG 51 -4.625 -4.768 7.652 387 HD3 ARG 51 1HD ARG 51 -5.905 -3.580 7.407 388 HE ARG 51 HE ARG 51 -5.992 -5.611 5.423 389 HH11 ARG 51 1HH1 ARG 51 -6.781 -4.967 8.760 390 HH12 ARG 51 2HH1 ARG 51 -8.053 -6.140 8.816 391 HH21 ARG 51 1HH2 ARG 51 -7.663 -7.156 5.495 392 HH22 ARG 51 2HH2 ARG 51 -8.553 -7.384 6.962 393 H TYR 52 H TYR 52 -4.214 0.832 6.445 394 HA TYR 52 HA TYR 52 -1.592 1.577 7.519 395 HB2 TYR 52 2HB TYR 52 -1.744 3.831 6.635 396 HB3 TYR 52 1HB TYR 52 -1.834 2.676 5.310 397 HD1 TYR 52 2HD TYR 52 -4.387 1.930 4.787 398 HD2 TYR 52 1HD TYR 52 -3.181 5.623 6.521 399 HE1 TYR 52 2HE TYR 52 -6.480 2.966 4.022 400 HE2 TYR 52 1HE TYR 52 -5.273 6.669 5.760 401 HH TYR 52 HH TYR 52 -6.982 6.102 3.728 402 H GLY 53 H GLY 53 -1.703 3.338 9.105 403 HA2 GLY 53 2HA GLY 53 -2.641 4.432 10.900 404 HA3 GLY 53 1HA GLY 53 -4.209 4.212 10.142 405 H PHE 54 H PHE 54 -3.797 4.036 12.897 406 HA PHE 54 HA PHE 54 -4.126 1.156 13.411 407 HB2 PHE 54 2HB PHE 54 -2.297 2.707 14.580 408 HB3 PHE 54 1HB PHE 54 -3.650 3.058 15.651 409 HD1 PHE 54 1HD PHE 54 -4.917 0.975 16.580 410 HD2 PHE 54 2HD PHE 54 -0.963 0.881 15.009 411 HE1 PHE 54 1HE PHE 54 -4.479 -1.105 17.819 412 HE2 PHE 54 2HE PHE 54 -0.517 -1.199 16.245 413 HZ PHE 54 HZ PHE 54 -2.277 -2.195 17.652 414 HA PRO 55 HA PRO 55 -5.341 -0.362 14.128 415 HB2 PRO 55 2HB PRO 55 -7.598 -1.473 13.099 416 HB3 PRO 55 1HB PRO 55 -7.317 -1.297 14.836 417 HG2 PRO 55 2HG PRO 55 -8.930 0.427 12.995 418 HG3 PRO 55 1HG PRO 55 -9.331 -0.151 14.624 419 HD2 PRO 55 2HD PRO 55 -8.416 2.348 14.167 420 HD3 PRO 55 1HD PRO 55 -8.028 1.454 15.652 421 HA PRO 56 HA PRO 56 -4.423 -0.264 9.818 422 HB2 PRO 56 2HB PRO 56 -4.534 -2.875 9.076 423 HB3 PRO 56 1HB PRO 56 -3.232 -2.211 10.068 424 HG2 PRO 56 2HG PRO 56 -5.660 -3.743 10.910 425 HG3 PRO 56 1HG PRO 56 -3.986 -3.902 11.473 426 HD2 PRO 56 2HD PRO 56 -5.871 -2.560 12.876 427 HD3 PRO 56 1HD PRO 56 -4.160 -2.091 12.892 428 H LYS 57 H LYS 57 -5.639 0.458 8.234 429 HA LYS 57 HA LYS 57 -8.388 -0.441 7.940 430 HB2 LYS 57 2HB LYS 57 -6.799 1.768 6.632 431 HB3 LYS 57 1HB LYS 57 -8.455 1.384 6.187 432 HG2 LYS 57 2HG LYS 57 -8.876 1.672 8.762 433 HG3 LYS 57 1HG LYS 57 -7.397 2.629 8.671 434 HD2 LYS 57 2HD LYS 57 -9.006 4.235 8.291 435 HD3 LYS 57 1HD LYS 57 -8.597 3.756 6.642 436 HE2 LYS 57 2HE LYS 57 -10.519 2.130 6.764 437 HE3 LYS 57 1HE LYS 57 -10.979 2.909 8.276 438 HZ1 LYS 57 3HZ LYS 57 -11.226 3.867 5.546 439 HZ2 LYS 57 1HZ LYS 57 -10.747 5.025 6.685 440 HZ3 LYS 57 2HZ LYS 57 -12.197 4.178 6.896 441 H GLU 58 H GLU 58 -9.121 -0.510 5.505 442 HA GLU 58 HA GLU 58 -7.290 -2.363 4.131 443 HB2 GLU 58 2HB GLU 58 -9.596 -3.165 4.998 444 HB3 GLU 58 1HB GLU 58 -10.253 -2.259 3.642 445 HG2 GLU 58 2HG GLU 58 -8.715 -3.597 2.159 446 HG3 GLU 58 1HG GLU 58 -8.394 -4.615 3.562 447 H LEU 59 H LEU 59 -6.331 -0.331 3.295 448 HA LEU 59 HA LEU 59 -7.477 1.577 1.733 449 HB2 LEU 59 2HB LEU 59 -5.054 1.359 2.373 450 HB3 LEU 59 1HB LEU 59 -4.873 0.217 1.056 451 HG LEU 59 HG LEU 59 -5.311 1.903 -0.581 452 HD11 LEU 59 1HD1 LEU 59 -6.041 3.654 1.756 453 HD12 LEU 59 2HD1 LEU 59 -7.080 3.136 0.430 454 HD13 LEU 59 3HD1 LEU 59 -5.758 4.262 0.125 455 HD21 LEU 59 3HD2 LEU 59 -3.562 3.281 1.431 456 HD22 LEU 59 1HD2 LEU 59 -3.416 3.254 -0.327 457 HD23 LEU 59 2HD2 LEU 59 -3.052 1.805 0.610 458 H MET 60 H MET 60 -9.240 0.697 0.618 459 HA MET 60 HA MET 60 -8.938 -1.344 -1.357 460 HB2 MET 60 2HB MET 60 -11.257 -0.798 -1.959 461 HB3 MET 60 1HB MET 60 -11.071 -0.991 -0.221 462 HG2 MET 60 2HG MET 60 -10.818 1.550 -0.160 463 HG3 MET 60 1HG MET 60 -11.464 1.521 -1.796 464 HE1 MET 60 3HE MET 60 -12.845 2.911 1.081 465 HE2 MET 60 1HE MET 60 -12.034 1.542 1.840 466 HE3 MET 60 2HE MET 60 -13.786 1.702 1.954 467 HA PRO 61 HA PRO 61 -7.656 0.954 -4.880 468 HB2 PRO 61 2HB PRO 61 -9.200 -0.119 -6.866 469 HB3 PRO 61 1HB PRO 61 -7.795 -0.930 -6.169 470 HG2 PRO 61 2HG PRO 61 -10.698 -1.328 -5.581 471 HG3 PRO 61 1HG PRO 61 -9.411 -2.536 -5.744 472 HD2 PRO 61 2HD PRO 61 -10.339 -1.722 -3.342 473 HD3 PRO 61 1HD PRO 61 -8.649 -2.194 -3.592 474 HA PRO 62 HA PRO 62 -10.489 4.359 -5.206 475 HB2 PRO 62 2HB PRO 62 -9.280 5.661 -7.277 476 HB3 PRO 62 1HB PRO 62 -8.690 5.713 -5.614 477 HG2 PRO 62 2HG PRO 62 -7.755 4.033 -7.905 478 HG3 PRO 62 1HG PRO 62 -6.799 4.893 -6.684 479 HD2 PRO 62 2HD PRO 62 -7.250 2.240 -6.542 480 HD3 PRO 62 1HD PRO 62 -7.128 3.254 -5.090 481 H GLN 63 H GLN 63 -11.376 5.675 -7.294 482 HA GLN 63 HA GLN 63 -12.290 3.727 -9.288 483 HB2 GLN 63 2HB GLN 63 -13.900 4.481 -7.220 484 HB3 GLN 63 1HB GLN 63 -14.323 5.682 -8.432 485 HG2 GLN 63 2HG GLN 63 -14.514 3.581 -9.988 486 HG3 GLN 63 1HG GLN 63 -14.723 2.736 -8.456 487 HE21 GLN 63 1HE2 GLN 63 -16.011 5.249 -10.531 488 HE22 GLN 63 2HE2 GLN 63 -17.611 5.232 -9.879 489 H ALA 64 H ALA 64 -14.022 5.384 -10.678 490 HA ALA 64 HA ALA 64 -12.303 6.795 -12.354 491 HB1 ALA 64 1HB ALA 64 -15.100 7.725 -12.274 492 HB2 ALA 64 2HB ALA 64 -14.865 5.998 -12.540 493 HB3 ALA 64 3HB ALA 64 -14.125 7.166 -13.634 494 H GLY 65 H GLY 65 -11.017 8.328 -11.435 495 HA2 GLY 65 2HA GLY 65 -11.116 10.824 -11.275 496 HA3 GLY 65 1HA GLY 65 -12.391 10.574 -10.091 497 H MET 66 H MET 66 -11.217 8.398 -8.708 498 HA MET 66 HA MET 66 -9.261 9.871 -7.141 499 HB2 MET 66 2HB MET 66 -11.115 7.636 -6.674 500 HB3 MET 66 1HB MET 66 -9.559 7.465 -5.872 501 HG2 MET 66 2HG MET 66 -10.154 10.027 -5.263 502 HG3 MET 66 1HG MET 66 -11.768 9.322 -5.343 503 HE1 MET 66 3HE MET 66 -8.253 9.197 -3.713 504 HE2 MET 66 1HE MET 66 -8.394 7.516 -4.226 505 HE3 MET 66 2HE MET 66 -8.411 7.918 -2.509 506 H GLU 67 H GLU 67 -9.355 7.307 -9.446 507 HA GLU 67 HA GLU 67 -7.136 5.791 -8.787 508 HB2 GLU 67 2HB GLU 67 -6.922 5.454 -11.304 509 HB3 GLU 67 1HB GLU 67 -8.468 5.034 -10.579 510 HG2 GLU 67 2HG GLU 67 -9.523 6.927 -11.459 511 HG3 GLU 67 1HG GLU 67 -7.991 7.718 -11.823 512 H LYS 68 H LYS 68 -7.311 8.986 -10.181 513 HA LYS 68 HA LYS 68 -4.537 9.082 -10.931 514 HB2 LYS 68 2HB LYS 68 -6.419 11.416 -10.578 515 HB3 LYS 68 1HB LYS 68 -4.952 11.360 -11.547 516 HG2 LYS 68 2HG LYS 68 -5.953 9.968 -13.164 517 HG3 LYS 68 1HG LYS 68 -7.328 9.613 -12.115 518 HD2 LYS 68 2HD LYS 68 -6.686 12.371 -13.147 519 HD3 LYS 68 1HD LYS 68 -7.780 11.255 -13.967 520 HE2 LYS 68 2HE LYS 68 -9.435 11.598 -12.486 521 HE3 LYS 68 1HE LYS 68 -8.332 11.617 -11.111 522 HZ1 LYS 68 3HZ LYS 68 -9.610 13.769 -11.974 523 HZ2 LYS 68 1HZ LYS 68 -8.200 13.907 -12.898 524 HZ3 LYS 68 2HZ LYS 68 -8.102 13.843 -11.211 525 H GLU 69 H GLU 69 -6.372 9.710 -8.072 526 HA GLU 69 HA GLU 69 -4.501 11.466 -6.823 527 HB2 GLU 69 2HB GLU 69 -6.955 10.008 -6.008 528 HB3 GLU 69 1HB GLU 69 -5.846 10.472 -4.725 529 HG2 GLU 69 2HG GLU 69 -7.633 12.119 -5.118 530 HG3 GLU 69 1HG GLU 69 -6.015 12.784 -5.335 531 HA PRO 70 HA PRO 70 -1.551 8.444 -5.490 532 HB2 PRO 70 2HB PRO 70 -0.304 9.838 -3.547 533 HB3 PRO 70 1HB PRO 70 -0.113 10.231 -5.260 534 HG2 PRO 70 2HG PRO 70 -1.860 11.526 -3.203 535 HG3 PRO 70 1HG PRO 70 -0.855 12.282 -4.453 536 HD2 PRO 70 2HD PRO 70 -3.544 11.937 -4.710 537 HD3 PRO 70 1HD PRO 70 -2.431 11.960 -6.092 538 H VAL 71 H VAL 71 -0.802 7.303 -3.532 539 HA VAL 71 HA VAL 71 -2.954 6.290 -2.038 540 HB VAL 71 HB VAL 71 -1.086 5.276 -0.596 541 HG11 VAL 71 1HG1 VAL 71 -1.472 3.568 -1.956 542 HG12 VAL 71 2HG1 VAL 71 -0.330 4.237 -3.121 543 HG13 VAL 71 3HG1 VAL 71 -2.036 4.675 -3.208 544 HG21 VAL 71 3HG2 VAL 71 0.453 7.216 -1.736 545 HG22 VAL 71 1HG2 VAL 71 0.858 5.807 -2.717 546 HG23 VAL 71 2HG2 VAL 71 1.071 5.755 -0.967 547 HA PRO 72 HA PRO 72 -3.227 8.923 1.501 548 HB2 PRO 72 2HB PRO 72 -3.779 7.215 3.501 549 HB3 PRO 72 1HB PRO 72 -4.919 7.497 2.181 550 HG2 PRO 72 2HG PRO 72 -2.956 5.257 2.528 551 HG3 PRO 72 1HG PRO 72 -4.669 5.172 2.078 552 HD2 PRO 72 2HD PRO 72 -2.691 5.047 0.246 553 HD3 PRO 72 1HD PRO 72 -4.258 5.802 -0.105 554 H LEU 73 H LEU 73 -0.601 6.933 1.115 555 HA LEU 73 HA LEU 73 0.571 7.582 3.720 556 HB2 LEU 73 2HB LEU 73 2.026 5.885 1.774 557 HB3 LEU 73 1HB LEU 73 1.903 5.740 3.517 558 HG LEU 73 HG LEU 73 -0.418 5.097 1.712 559 HD11 LEU 73 1HD1 LEU 73 1.597 3.759 1.093 560 HD12 LEU 73 2HD1 LEU 73 0.219 2.817 1.662 561 HD13 LEU 73 3HD1 LEU 73 1.590 3.111 2.732 562 HD21 LEU 73 3HD2 LEU 73 0.310 4.388 4.546 563 HD22 LEU 73 1HD2 LEU 73 -1.040 3.675 3.662 564 HD23 LEU 73 2HD2 LEU 73 -1.024 5.406 4.002 565 H GLN 74 H GLN 74 2.673 8.499 3.858 566 HA GLN 74 HA GLN 74 3.608 9.854 1.423 567 HB2 GLN 74 2HB GLN 74 3.161 11.073 4.145 568 HB3 GLN 74 1HB GLN 74 4.157 11.831 2.912 569 HG2 GLN 74 2HG GLN 74 1.255 11.122 2.565 570 HG3 GLN 74 1HG GLN 74 1.855 12.717 3.018 571 HE21 GLN 74 1HE2 GLN 74 0.400 11.584 0.617 572 HE22 GLN 74 2HE2 GLN 74 1.308 12.160 -0.734 573 H HIS 75 H HIS 75 5.813 11.029 2.081 574 HA HIS 75 HA HIS 75 7.718 9.031 2.414 575 HB2 HIS 75 2HB HIS 75 7.958 11.431 1.471 576 HB3 HIS 75 1HB HIS 75 8.278 11.893 3.138 577 HD1 HIS 75 1HD HIS 75 9.893 9.081 3.610 578 HD2 HIS 75 2HD HIS 75 10.623 12.031 0.778 579 HE1 HIS 75 1HE HIS 75 12.313 8.819 2.976 580 HE2 HIS 75 2HE HIS 75 12.755 10.675 1.330 581 H GLY 76 H GLY 76 7.914 7.795 4.163 582 HA2 GLY 76 2HA GLY 76 8.899 7.584 6.347 583 HA3 GLY 76 1HA GLY 76 8.213 9.147 6.762 584 H ASP 77 H ASP 77 6.073 7.127 5.040 585 HA ASP 77 HA ASP 77 4.516 6.723 7.473 586 HB2 ASP 77 2HB ASP 77 3.913 7.057 4.642 587 HB3 ASP 77 1HB ASP 77 3.035 5.708 5.352 588 H ARG 78 H ARG 78 3.125 4.563 7.265 589 HA ARG 78 HA ARG 78 4.814 2.321 6.468 590 HB2 ARG 78 2HB ARG 78 4.155 1.261 8.762 591 HB3 ARG 78 1HB ARG 78 5.533 2.346 8.666 592 HG2 ARG 78 2HG ARG 78 4.116 2.778 10.624 593 HG3 ARG 78 1HG ARG 78 4.216 4.167 9.542 594 HD2 ARG 78 2HD ARG 78 2.042 3.884 8.775 595 HD3 ARG 78 1HD ARG 78 1.978 2.199 9.286 596 HE ARG 78 HE ARG 78 1.225 4.451 10.819 597 HH11 ARG 78 1HH1 ARG 78 2.804 1.353 11.110 598 HH12 ARG 78 2HH1 ARG 78 2.382 1.155 12.778 599 HH21 ARG 78 1HH2 ARG 78 0.671 4.193 13.013 600 HH22 ARG 78 2HH2 ARG 78 1.172 2.767 13.859 601 H ILE 79 H ILE 79 3.711 0.400 6.102 602 HA ILE 79 HA ILE 79 0.810 0.409 6.430 603 HB ILE 79 HB ILE 79 0.777 -0.562 3.983 604 HG12 ILE 79 2HG1 ILE 79 3.088 1.384 3.853 605 HG13 ILE 79 1HG1 ILE 79 3.229 -0.363 3.689 606 HG21 ILE 79 1HG2 ILE 79 0.052 1.579 3.183 607 HG22 ILE 79 2HG2 ILE 79 0.935 2.403 4.469 608 HG23 ILE 79 3HG2 ILE 79 -0.457 1.393 4.861 609 HD11 ILE 79 3HD1 ILE 79 1.373 1.068 1.872 610 HD12 ILE 79 1HD1 ILE 79 2.349 -0.375 1.592 611 HD13 ILE 79 2HD1 ILE 79 3.109 1.218 1.595 612 H THR 80 H THR 80 -0.148 -1.711 5.809 613 HA THR 80 HA THR 80 1.753 -3.924 6.131 614 HB THR 80 HB THR 80 -0.908 -3.692 7.544 615 HG1 THR 80 1HG THR 80 0.782 -2.372 8.422 616 HG21 THR 80 3HG2 THR 80 1.214 -5.748 8.045 617 HG22 THR 80 1HG2 THR 80 -0.118 -6.017 6.921 618 HG23 THR 80 2HG2 THR 80 -0.450 -5.717 8.627 619 H ILE 81 H ILE 81 1.512 -5.462 4.664 620 HA ILE 81 HA ILE 81 -0.843 -5.387 2.934 621 HB ILE 81 HB ILE 81 1.669 -6.992 2.501 622 HG12 ILE 81 2HG1 ILE 81 2.335 -4.676 2.668 623 HG13 ILE 81 1HG1 ILE 81 2.358 -5.145 0.970 624 HG21 ILE 81 1HG2 ILE 81 -0.580 -6.125 0.696 625 HG22 ILE 81 2HG2 ILE 81 -0.149 -7.769 1.168 626 HG23 ILE 81 3HG2 ILE 81 0.924 -6.842 0.119 627 HD11 ILE 81 3HD1 ILE 81 1.362 -3.077 0.895 628 HD12 ILE 81 1HD1 ILE 81 0.490 -3.322 2.408 629 HD13 ILE 81 2HD1 ILE 81 -0.038 -4.148 0.942 630 H GLU 82 H GLU 82 -1.835 -7.400 2.259 631 HA GLU 82 HA GLU 82 -1.439 -9.658 4.079 632 HB2 GLU 82 2HB GLU 82 -3.247 -8.690 5.188 633 HB3 GLU 82 1HB GLU 82 -3.981 -8.113 3.701 634 HG2 GLU 82 2HG GLU 82 -4.868 -10.201 3.182 635 HG3 GLU 82 1HG GLU 82 -3.765 -11.043 4.267 636 H ILE 83 H ILE 83 -1.063 -11.373 2.857 637 HA ILE 83 HA ILE 83 -1.474 -11.489 0.106 638 HB ILE 83 HB ILE 83 -1.037 -13.692 2.112 639 HG12 ILE 83 2HG1 ILE 83 1.112 -13.535 0.377 640 HG13 ILE 83 1HG1 ILE 83 0.655 -11.853 0.593 641 HG21 ILE 83 1HG2 ILE 83 -1.277 -13.833 -0.888 642 HG22 ILE 83 2HG2 ILE 83 -2.188 -14.737 0.320 643 HG23 ILE 83 3HG2 ILE 83 -0.477 -15.079 0.070 644 HD11 ILE 83 3HD1 ILE 83 1.937 -13.710 2.440 645 HD12 ILE 83 1HD1 ILE 83 0.624 -12.776 3.153 646 HD13 ILE 83 2HD1 ILE 83 1.977 -11.948 2.383 647 H LEU 84 H LEU 84 -3.333 -11.509 -0.905 648 HA LEU 84 HA LEU 84 -5.712 -12.594 0.340 649 HB2 LEU 84 2HB LEU 84 -5.511 -11.527 -2.463 650 HB3 LEU 84 1HB LEU 84 -6.929 -11.626 -1.440 651 HG LEU 84 HG LEU 84 -4.587 -9.764 -1.039 652 HD11 LEU 84 1HD1 LEU 84 -7.336 -8.781 -1.480 653 HD12 LEU 84 2HD1 LEU 84 -6.504 -9.467 -2.874 654 HD13 LEU 84 3HD1 LEU 84 -5.790 -8.112 -2.001 655 HD21 LEU 84 3HD2 LEU 84 -6.963 -9.172 0.487 656 HD22 LEU 84 1HD2 LEU 84 -5.297 -9.370 1.032 657 HD23 LEU 84 2HD2 LEU 84 -6.346 -10.779 0.874 658 H LYS 85 H LYS 85 -6.788 -14.385 -0.323 659 HA LYS 85 HA LYS 85 -5.263 -16.404 -1.623 660 HB2 LYS 85 2HB LYS 85 -6.954 -17.929 -1.020 661 HB3 LYS 85 1HB LYS 85 -6.868 -16.786 0.307 662 HG2 LYS 85 2HG LYS 85 -8.974 -16.957 -1.835 663 HG3 LYS 85 1HG LYS 85 -9.156 -17.263 -0.110 664 HD2 LYS 85 2HD LYS 85 -8.460 -14.595 -1.335 665 HD3 LYS 85 1HD LYS 85 -10.069 -15.076 -0.792 666 HE2 LYS 85 2HE LYS 85 -7.883 -15.386 1.170 667 HE3 LYS 85 1HE LYS 85 -8.309 -13.731 0.742 668 HZ1 LYS 85 3HZ LYS 85 -9.868 -15.739 2.175 669 HZ2 LYS 85 1HZ LYS 85 -10.722 -14.699 1.149 670 HZ3 LYS 85 2HZ LYS 85 -9.786 -14.067 2.408 671 H GLY 86 H GLY 86 -4.916 -15.998 -3.687 672 HA2 GLY 86 2HA GLY 86 -7.121 -15.230 -5.434 673 HA3 GLY 86 1HA GLY 86 -5.420 -15.280 -5.869 Start of MODEL 18 1 H1 LYS 6 H LYS 6 12.538 14.130 -7.322 2 HA LYS 6 HA LYS 6 13.196 12.136 -5.471 3 HB2 LYS 6 2HB LYS 6 12.630 13.877 -3.748 4 HB3 LYS 6 1HB LYS 6 13.773 14.397 -4.978 5 HG2 LYS 6 2HG LYS 6 11.373 15.140 -6.063 6 HG3 LYS 6 1HG LYS 6 11.116 15.409 -4.337 7 HD2 LYS 6 2HD LYS 6 13.159 16.761 -4.250 8 HD3 LYS 6 1HD LYS 6 13.404 16.498 -5.978 9 HE2 LYS 6 2HE LYS 6 12.312 18.465 -6.154 10 HE3 LYS 6 1HE LYS 6 10.885 17.442 -6.004 11 HZ1 LYS 6 3HZ LYS 6 10.445 18.205 -3.947 12 HZ2 LYS 6 1HZ LYS 6 11.345 19.545 -4.455 13 HZ3 LYS 6 2HZ LYS 6 12.074 18.346 -3.511 14 H GLU 7 H GLU 7 11.954 10.511 -4.834 15 HA GLU 7 HA GLU 7 9.057 10.946 -4.586 16 HB2 GLU 7 2HB GLU 7 9.053 8.366 -4.527 17 HB3 GLU 7 1HB GLU 7 9.360 9.163 -6.064 18 HG2 GLU 7 2HG GLU 7 11.714 8.494 -4.404 19 HG3 GLU 7 1HG GLU 7 10.842 7.153 -5.148 20 H LYS 8 H LYS 8 8.122 9.274 -2.874 21 HA LYS 8 HA LYS 8 9.535 9.861 -0.379 22 HB2 LYS 8 2HB LYS 8 7.421 9.547 0.742 23 HB3 LYS 8 1HB LYS 8 7.200 10.661 -0.596 24 HG2 LYS 8 2HG LYS 8 6.679 8.051 -1.554 25 HG3 LYS 8 1HG LYS 8 5.819 8.248 -0.030 26 HD2 LYS 8 2HD LYS 8 5.090 10.530 -1.034 27 HD3 LYS 8 1HD LYS 8 5.541 9.797 -2.575 28 HE2 LYS 8 2HE LYS 8 4.009 7.934 -2.126 29 HE3 LYS 8 1HE LYS 8 3.551 8.686 -0.598 30 HZ1 LYS 8 3HZ LYS 8 2.986 9.622 -3.344 31 HZ2 LYS 8 1HZ LYS 8 2.888 10.668 -2.017 32 HZ3 LYS 8 2HZ LYS 8 1.892 9.303 -2.094 33 H LYS 9 H LYS 9 9.655 8.257 1.276 34 HA LYS 9 HA LYS 9 9.704 5.510 0.214 35 HB2 LYS 9 2HB LYS 9 11.950 6.274 0.687 36 HB3 LYS 9 1HB LYS 9 11.474 6.807 2.293 37 HG2 LYS 9 2HG LYS 9 10.921 3.986 1.797 38 HG3 LYS 9 1HG LYS 9 12.631 4.405 1.683 39 HD2 LYS 9 2HD LYS 9 11.147 5.530 3.979 40 HD3 LYS 9 1HD LYS 9 11.414 3.785 3.994 41 HE2 LYS 9 2HE LYS 9 13.828 4.196 3.634 42 HE3 LYS 9 1HE LYS 9 13.521 5.928 3.740 43 HZ1 LYS 9 3HZ LYS 9 12.398 5.105 5.997 44 HZ2 LYS 9 1HZ LYS 9 14.024 5.564 5.891 45 HZ3 LYS 9 2HZ LYS 9 13.602 3.927 5.846 46 H ILE 10 H ILE 10 8.589 3.975 1.268 47 HA ILE 10 HA ILE 10 7.549 4.599 3.943 48 HB ILE 10 HB ILE 10 5.665 3.058 2.324 49 HG12 ILE 10 2HG1 ILE 10 6.566 4.655 0.604 50 HG13 ILE 10 1HG1 ILE 10 4.849 4.853 0.943 51 HG21 ILE 10 1HG2 ILE 10 4.701 3.728 4.261 52 HG22 ILE 10 2HG2 ILE 10 4.273 5.133 3.284 53 HG23 ILE 10 3HG2 ILE 10 5.668 5.200 4.360 54 HD11 ILE 10 3HD1 ILE 10 6.899 6.788 1.045 55 HD12 ILE 10 1HD1 ILE 10 6.300 6.553 2.687 56 HD13 ILE 10 2HD1 ILE 10 5.182 6.985 1.394 57 H ARG 11 H ARG 11 6.696 2.643 5.074 58 HA ARG 11 HA ARG 11 8.441 0.366 4.470 59 HB2 ARG 11 2HB ARG 11 8.627 1.367 6.713 60 HB3 ARG 11 1HB ARG 11 6.927 1.019 7.003 61 HG2 ARG 11 2HG ARG 11 7.436 -1.397 6.717 62 HG3 ARG 11 1HG ARG 11 9.145 -0.975 6.609 63 HD2 ARG 11 2HD ARG 11 7.424 -0.184 8.943 64 HD3 ARG 11 1HD ARG 11 8.292 -1.717 8.882 65 HE ARG 11 HE ARG 11 10.194 0.168 8.355 66 HH11 ARG 11 1HH1 ARG 11 7.921 -0.372 10.947 67 HH12 ARG 11 2HH1 ARG 11 8.935 0.346 12.154 68 HH21 ARG 11 1HH2 ARG 11 11.530 1.110 9.940 69 HH22 ARG 11 2HH2 ARG 11 10.985 1.187 11.582 70 H ILE 12 H ILE 12 7.646 -1.792 4.594 71 HA ILE 12 HA ILE 12 4.730 -2.077 4.360 72 HB ILE 12 HB ILE 12 6.701 -3.433 2.519 73 HG12 ILE 12 2HG1 ILE 12 4.640 -1.472 1.585 74 HG13 ILE 12 1HG1 ILE 12 6.159 -0.870 2.245 75 HG21 ILE 12 1HG2 ILE 12 4.616 -4.116 1.326 76 HG22 ILE 12 2HG2 ILE 12 3.697 -3.484 2.692 77 HG23 ILE 12 3HG2 ILE 12 4.812 -4.830 2.926 78 HD11 ILE 12 3HD1 ILE 12 7.376 -2.214 0.573 79 HD12 ILE 12 1HD1 ILE 12 6.309 -1.012 -0.152 80 HD13 ILE 12 2HD1 ILE 12 5.831 -2.709 -0.116 81 H THR 13 H THR 13 3.898 -4.083 4.998 82 HA THR 13 HA THR 13 5.721 -6.140 5.911 83 HB THR 13 HB THR 13 3.741 -5.275 7.952 84 HG1 THR 13 1HG THR 13 6.228 -3.991 7.496 85 HG21 THR 13 3HG2 THR 13 6.045 -5.781 9.240 86 HG22 THR 13 1HG2 THR 13 6.222 -6.823 7.828 87 HG23 THR 13 2HG2 THR 13 4.818 -6.996 8.880 88 H THR 14 H THR 14 4.906 -7.984 5.166 89 HA THR 14 HA THR 14 2.073 -8.172 4.600 90 HB THR 14 HB THR 14 2.539 -9.914 3.206 91 HG1 THR 14 1HG THR 14 4.447 -10.632 5.118 92 HG21 THR 14 3HG2 THR 14 4.016 -7.979 2.600 93 HG22 THR 14 1HG2 THR 14 4.502 -9.553 1.972 94 HG23 THR 14 2HG2 THR 14 5.338 -8.862 3.363 95 H ASN 15 H ASN 15 0.647 -9.531 5.478 96 HA ASN 15 HA ASN 15 0.706 -10.090 8.164 97 HB2 ASN 15 2HB ASN 15 -1.382 -10.973 7.861 98 HB3 ASN 15 1HB ASN 15 -1.207 -10.171 6.313 99 HD21 ASN 15 1HD2 ASN 15 -0.271 -11.547 4.570 100 HD22 ASN 15 2HD2 ASN 15 -0.818 -13.182 4.486 101 H ASP 16 H ASP 16 2.052 -11.963 5.564 102 HA ASP 16 HA ASP 16 2.189 -14.468 6.809 103 HB2 ASP 16 2HB ASP 16 3.438 -13.163 4.515 104 HB3 ASP 16 1HB ASP 16 4.504 -14.325 5.300 105 H GLY 17 H GLY 17 3.904 -11.545 7.407 106 HA2 GLY 17 2HA GLY 17 4.970 -11.350 9.586 107 HA3 GLY 17 1HA GLY 17 5.584 -12.980 9.361 108 H ARG 18 H ARG 18 5.596 -10.612 6.772 109 HA ARG 18 HA ARG 18 8.498 -10.277 7.175 110 HB2 ARG 18 2HB ARG 18 9.018 -10.789 4.965 111 HB3 ARG 18 1HB ARG 18 7.800 -11.987 5.374 112 HG2 ARG 18 2HG ARG 18 6.109 -10.491 4.292 113 HG3 ARG 18 1HG ARG 18 7.451 -9.505 3.721 114 HD2 ARG 18 2HD ARG 18 6.660 -11.154 2.050 115 HD3 ARG 18 1HD ARG 18 8.354 -11.344 2.490 116 HE ARG 18 HE ARG 18 7.850 -13.350 3.537 117 HH11 ARG 18 1HH1 ARG 18 4.922 -11.781 2.459 118 HH12 ARG 18 2HH1 ARG 18 3.960 -13.212 2.598 119 HH21 ARG 18 1HH2 ARG 18 6.586 -15.229 3.717 120 HH22 ARG 18 2HH2 ARG 18 4.904 -15.171 3.309 121 H GLN 19 H GLN 19 9.423 -8.366 6.175 122 HA GLN 19 HA GLN 19 7.485 -6.311 5.407 123 HB2 GLN 19 2HB GLN 19 9.107 -4.769 6.885 124 HB3 GLN 19 1HB GLN 19 7.641 -5.496 7.518 125 HG2 GLN 19 2HG GLN 19 8.758 -6.830 8.919 126 HG3 GLN 19 1HG GLN 19 10.004 -7.205 7.728 127 HE21 GLN 19 1HE2 GLN 19 9.027 -5.090 10.290 128 HE22 GLN 19 2HE2 GLN 19 10.541 -4.281 10.481 129 H SER 20 H SER 20 8.429 -4.435 4.398 130 HA SER 20 HA SER 20 11.165 -4.427 3.580 131 HB2 SER 20 2HB SER 20 9.083 -5.004 1.457 132 HB3 SER 20 1HB SER 20 10.805 -4.749 1.191 133 HG SER 20 HG SER 20 10.411 -6.948 1.239 134 H MET 21 H MET 21 11.708 -2.517 2.374 135 HA MET 21 HA MET 21 9.686 -0.406 2.670 136 HB2 MET 21 2HB MET 21 11.413 1.156 2.996 137 HB3 MET 21 1HB MET 21 11.911 -0.256 3.915 138 HG2 MET 21 2HG MET 21 12.883 0.154 1.116 139 HG3 MET 21 1HG MET 21 13.639 0.991 2.467 140 HE1 MET 21 3HE MET 21 14.742 -2.574 0.608 141 HE2 MET 21 1HE MET 21 13.221 -1.720 0.337 142 HE3 MET 21 2HE MET 21 13.242 -3.205 1.288 143 H VAL 22 H VAL 22 9.663 1.311 1.082 144 HA VAL 22 HA VAL 22 10.665 0.558 -1.558 145 HB VAL 22 HB VAL 22 8.405 1.192 -2.513 146 HG11 VAL 22 1HG1 VAL 22 9.310 -1.128 -2.351 147 HG12 VAL 22 2HG1 VAL 22 7.549 -1.030 -2.342 148 HG13 VAL 22 3HG1 VAL 22 8.425 -1.304 -0.835 149 HG21 VAL 22 3HG2 VAL 22 6.472 1.029 -1.109 150 HG22 VAL 22 1HG2 VAL 22 7.569 2.221 -0.414 151 HG23 VAL 22 2HG2 VAL 22 7.468 0.604 0.284 152 H THR 23 H THR 23 10.110 2.351 -3.178 153 HA THR 23 HA THR 23 10.538 4.953 -1.864 154 HB THR 23 HB THR 23 12.427 3.976 -3.270 155 HG1 THR 23 1HG THR 23 12.327 6.191 -2.815 156 HG21 THR 23 3HG2 THR 23 10.539 3.484 -5.149 157 HG22 THR 23 1HG2 THR 23 12.266 3.627 -5.472 158 HG23 THR 23 2HG2 THR 23 11.205 5.014 -5.719 159 H LEU 24 H LEU 24 7.943 4.074 -2.187 160 HA LEU 24 HA LEU 24 6.494 4.474 -4.406 161 HB2 LEU 24 2HB LEU 24 5.949 4.497 -1.682 162 HB3 LEU 24 1HB LEU 24 5.315 6.030 -2.251 163 HG LEU 24 HG LEU 24 3.969 4.820 -3.942 164 HD11 LEU 24 1HD1 LEU 24 5.655 2.794 -3.733 165 HD12 LEU 24 2HD1 LEU 24 3.972 2.559 -4.210 166 HD13 LEU 24 3HD1 LEU 24 4.469 2.249 -2.546 167 HD21 LEU 24 3HD2 LEU 24 2.296 4.036 -2.430 168 HD22 LEU 24 1HD2 LEU 24 3.100 5.414 -1.677 169 HD23 LEU 24 2HD2 LEU 24 3.489 3.773 -1.159 170 H LYS 25 H LYS 25 5.880 6.073 -5.750 171 HA LYS 25 HA LYS 25 7.389 8.505 -5.733 172 HB2 LYS 25 2HB LYS 25 5.377 7.273 -7.560 173 HB3 LYS 25 1HB LYS 25 5.630 9.008 -7.667 174 HG2 LYS 25 2HG LYS 25 7.257 8.500 -9.100 175 HG3 LYS 25 1HG LYS 25 8.192 8.061 -7.669 176 HD2 LYS 25 2HD LYS 25 6.677 6.275 -9.547 177 HD3 LYS 25 1HD LYS 25 8.382 6.207 -9.091 178 HE2 LYS 25 2HE LYS 25 7.563 5.748 -6.729 179 HE3 LYS 25 1HE LYS 25 5.976 5.471 -7.450 180 HZ1 LYS 25 3HZ LYS 25 8.476 3.955 -7.979 181 HZ2 LYS 25 1HZ LYS 25 7.064 3.775 -8.893 182 HZ3 LYS 25 2HZ LYS 25 7.063 3.381 -7.249 183 H SER 26 H SER 26 5.961 10.562 -6.362 184 HA SER 26 HA SER 26 4.335 10.935 -4.017 185 HB2 SER 26 2HB SER 26 4.957 13.020 -6.113 186 HB3 SER 26 1HB SER 26 4.459 13.289 -4.444 187 HG SER 26 HG SER 26 6.495 12.129 -3.915 188 H SER 27 H SER 27 3.878 10.157 -7.268 189 HA SER 27 HA SER 27 1.032 10.900 -7.108 190 HB2 SER 27 2HB SER 27 2.749 11.792 -9.004 191 HB3 SER 27 1HB SER 27 2.189 10.306 -9.770 192 HG SER 27 HG SER 27 0.018 11.099 -9.325 193 H THR 28 H THR 28 2.325 8.499 -6.066 194 HA THR 28 HA THR 28 1.628 6.372 -7.892 195 HB THR 28 HB THR 28 2.816 6.491 -5.136 196 HG1 THR 28 1HG THR 28 4.353 5.102 -6.373 197 HG21 THR 28 3HG2 THR 28 2.980 3.849 -5.727 198 HG22 THR 28 1HG2 THR 28 1.338 4.223 -6.251 199 HG23 THR 28 2HG2 THR 28 1.832 4.558 -4.592 200 H THR 29 H THR 29 -0.506 6.145 -8.207 201 HA THR 29 HA THR 29 -2.440 6.535 -6.124 202 HB THR 29 HB THR 29 -3.156 7.063 -8.331 203 HG1 THR 29 1HG THR 29 -4.622 5.756 -6.965 204 HG21 THR 29 3HG2 THR 29 -1.681 5.845 -9.723 205 HG22 THR 29 1HG2 THR 29 -3.319 5.316 -10.103 206 HG23 THR 29 2HG2 THR 29 -2.274 4.304 -9.108 207 H PHE 30 H PHE 30 -4.090 4.763 -5.677 208 HA PHE 30 HA PHE 30 -3.019 2.695 -4.286 209 HB2 PHE 30 2HB PHE 30 -5.379 3.282 -4.127 210 HB3 PHE 30 1HB PHE 30 -5.659 2.693 -5.762 211 HD1 PHE 30 1HD PHE 30 -4.416 1.538 -2.448 212 HD2 PHE 30 2HD PHE 30 -6.413 0.536 -6.069 213 HE1 PHE 30 1HE PHE 30 -4.914 -0.698 -1.549 214 HE2 PHE 30 2HE PHE 30 -6.915 -1.701 -5.177 215 HZ PHE 30 HZ PHE 30 -6.166 -2.320 -2.915 216 H PHE 31 H PHE 31 -3.833 2.713 -7.711 217 HA PHE 31 HA PHE 31 -3.308 -0.032 -8.181 218 HB2 PHE 31 2HB PHE 31 -3.073 2.238 -10.161 219 HB3 PHE 31 1HB PHE 31 -3.336 0.539 -10.526 220 HD1 PHE 31 1HD PHE 31 -5.481 -0.420 -9.118 221 HD2 PHE 31 2HD PHE 31 -4.897 3.578 -10.451 222 HE1 PHE 31 1HE PHE 31 -7.913 -0.052 -9.068 223 HE2 PHE 31 2HE PHE 31 -7.327 3.954 -10.403 224 HZ PHE 31 HZ PHE 31 -8.839 2.137 -9.709 225 H GLU 32 H GLU 32 -1.359 2.885 -8.292 226 HA GLU 32 HA GLU 32 0.969 1.643 -9.369 227 HB2 GLU 32 2HB GLU 32 0.405 4.264 -8.027 228 HB3 GLU 32 1HB GLU 32 2.067 3.767 -8.314 229 HG2 GLU 32 2HG GLU 32 0.147 3.661 -10.580 230 HG3 GLU 32 1HG GLU 32 0.744 5.232 -10.049 231 H LEU 33 H LEU 33 -0.299 2.118 -6.149 232 HA LEU 33 HA LEU 33 2.108 1.440 -4.770 233 HB2 LEU 33 2HB LEU 33 0.472 2.738 -3.607 234 HB3 LEU 33 1HB LEU 33 -0.779 1.549 -3.914 235 HG LEU 33 HG LEU 33 0.239 -0.010 -2.378 236 HD11 LEU 33 1HD1 LEU 33 2.365 2.038 -1.806 237 HD12 LEU 33 2HD1 LEU 33 2.595 0.697 -2.929 238 HD13 LEU 33 3HD1 LEU 33 2.267 0.376 -1.225 239 HD21 LEU 33 3HD2 LEU 33 0.048 1.272 -0.284 240 HD22 LEU 33 1HD2 LEU 33 -1.265 1.620 -1.409 241 HD23 LEU 33 2HD2 LEU 33 0.060 2.768 -1.217 242 H GLN 34 H GLN 34 -0.712 -0.334 -5.898 243 HA GLN 34 HA GLN 34 -0.171 -2.771 -4.588 244 HB2 GLN 34 2HB GLN 34 -1.701 -2.132 -7.108 245 HB3 GLN 34 1HB GLN 34 -1.610 -3.753 -6.434 246 HG2 GLN 34 2HG GLN 34 -2.416 -1.692 -4.519 247 HG3 GLN 34 1HG GLN 34 -3.534 -1.923 -5.863 248 HE21 GLN 34 1HE2 GLN 34 -1.491 -4.127 -3.976 249 HE22 GLN 34 2HE2 GLN 34 -2.769 -5.197 -3.523 250 H GLU 35 H GLU 35 1.114 -1.309 -7.464 251 HA GLU 35 HA GLU 35 2.322 -3.750 -8.430 252 HB2 GLU 35 2HB GLU 35 1.549 -2.045 -10.013 253 HB3 GLU 35 1HB GLU 35 2.678 -0.884 -9.326 254 HG2 GLU 35 2HG GLU 35 4.358 -1.642 -10.561 255 HG3 GLU 35 1HG GLU 35 4.008 -3.318 -10.147 256 H SER 36 H SER 36 3.163 -1.183 -6.295 257 HA SER 36 HA SER 36 6.000 -1.440 -6.537 258 HB2 SER 36 2HB SER 36 4.209 0.330 -5.253 259 HB3 SER 36 1HB SER 36 5.225 -0.360 -3.987 260 HG SER 36 HG SER 36 6.255 0.730 -6.391 261 H ILE 37 H ILE 37 3.617 -2.543 -4.129 262 HA ILE 37 HA ILE 37 5.424 -3.841 -2.425 263 HB ILE 37 HB ILE 37 2.565 -4.659 -2.961 264 HG12 ILE 37 2HG1 ILE 37 3.077 -3.043 -0.583 265 HG13 ILE 37 1HG1 ILE 37 3.452 -2.184 -2.075 266 HG21 ILE 37 1HG2 ILE 37 2.596 -5.804 -0.943 267 HG22 ILE 37 2HG2 ILE 37 4.023 -4.946 -0.364 268 HG23 ILE 37 3HG2 ILE 37 4.182 -6.166 -1.626 269 HD11 ILE 37 3HD1 ILE 37 1.199 -2.655 -2.900 270 HD12 ILE 37 1HD1 ILE 37 1.177 -1.755 -1.384 271 HD13 ILE 37 2HD1 ILE 37 0.828 -3.483 -1.388 272 H ALA 38 H ALA 38 3.748 -4.945 -5.323 273 HA ALA 38 HA ALA 38 4.367 -7.667 -5.175 274 HB1 ALA 38 1HB ALA 38 3.708 -7.815 -7.410 275 HB2 ALA 38 2HB ALA 38 4.244 -6.175 -7.774 276 HB3 ALA 38 3HB ALA 38 2.802 -6.433 -6.792 277 H ARG 39 H ARG 39 6.407 -4.969 -5.741 278 HA ARG 39 HA ARG 39 8.454 -6.551 -7.084 279 HB2 ARG 39 2HB ARG 39 8.999 -3.772 -6.169 280 HB3 ARG 39 1HB ARG 39 9.478 -4.579 -7.655 281 HG2 ARG 39 2HG ARG 39 7.090 -4.417 -8.403 282 HG3 ARG 39 1HG ARG 39 6.793 -3.405 -6.989 283 HD2 ARG 39 2HD ARG 39 7.545 -1.628 -8.079 284 HD3 ARG 39 1HD ARG 39 9.100 -2.417 -8.329 285 HE ARG 39 HE ARG 39 6.886 -2.262 -10.214 286 HH11 ARG 39 1HH1 ARG 39 10.023 -3.602 -9.447 287 HH12 ARG 39 2HH1 ARG 39 10.381 -4.018 -11.087 288 HH21 ARG 39 1HH2 ARG 39 7.362 -2.815 -12.369 289 HH22 ARG 39 2HH2 ARG 39 8.874 -3.573 -12.745 290 H GLU 40 H GLU 40 7.865 -4.953 -4.001 291 HA GLU 40 HA GLU 40 10.449 -5.600 -2.937 292 HB2 GLU 40 2HB GLU 40 8.176 -4.016 -2.149 293 HB3 GLU 40 1HB GLU 40 8.697 -5.030 -0.810 294 HG2 GLU 40 2HG GLU 40 9.730 -2.760 -0.896 295 HG3 GLU 40 1HG GLU 40 10.873 -4.100 -0.833 296 H PHE 41 H PHE 41 7.352 -7.149 -3.066 297 HA PHE 41 HA PHE 41 8.407 -9.306 -1.360 298 HB2 PHE 41 2HB PHE 41 5.510 -8.478 -1.617 299 HB3 PHE 41 1HB PHE 41 6.143 -9.756 -0.583 300 HD1 PHE 41 1HD PHE 41 6.197 -6.099 -1.156 301 HD2 PHE 41 2HD PHE 41 6.946 -9.282 1.565 302 HE1 PHE 41 1HE PHE 41 6.516 -4.469 0.657 303 HE2 PHE 41 2HE PHE 41 7.264 -7.656 3.383 304 HZ PHE 41 HZ PHE 41 7.050 -5.250 2.932 305 H ASN 42 H ASN 42 6.723 -11.306 -1.765 306 HA ASN 42 HA ASN 42 6.924 -11.797 -4.657 307 HB2 ASN 42 2HB ASN 42 6.849 -13.773 -2.367 308 HB3 ASN 42 1HB ASN 42 6.981 -14.194 -4.072 309 HD21 ASN 42 1HD2 ASN 42 8.785 -12.536 -5.072 310 HD22 ASN 42 2HD2 ASN 42 10.310 -12.701 -4.277 311 H ILE 43 H ILE 43 4.707 -10.367 -3.801 312 HA ILE 43 HA ILE 43 2.575 -12.337 -4.247 313 HB ILE 43 HB ILE 43 2.274 -9.903 -2.490 314 HG12 ILE 43 2HG1 ILE 43 1.904 -12.108 -0.887 315 HG13 ILE 43 1HG1 ILE 43 3.241 -12.612 -1.915 316 HG21 ILE 43 1HG2 ILE 43 0.426 -12.260 -2.718 317 HG22 ILE 43 2HG2 ILE 43 0.273 -10.840 -3.753 318 HG23 ILE 43 3HG2 ILE 43 0.108 -10.679 -2.005 319 HD11 ILE 43 3HD1 ILE 43 4.125 -11.623 0.062 320 HD12 ILE 43 1HD1 ILE 43 3.121 -10.189 -0.145 321 HD13 ILE 43 2HD1 ILE 43 4.424 -10.525 -1.285 322 HA PRO 44 HA PRO 44 1.654 -9.673 -7.672 323 HB2 PRO 44 2HB PRO 44 -0.776 -10.686 -8.314 324 HB3 PRO 44 1HB PRO 44 0.735 -11.531 -8.667 325 HG2 PRO 44 2HG PRO 44 -1.188 -11.950 -6.410 326 HG3 PRO 44 1HG PRO 44 -0.351 -13.155 -7.406 327 HD2 PRO 44 2HD PRO 44 0.487 -12.468 -4.917 328 HD3 PRO 44 1HD PRO 44 1.604 -12.978 -6.195 329 HA PRO 45 HA PRO 45 -0.971 -6.391 -6.349 330 HB2 PRO 45 2HB PRO 45 -2.348 -5.707 -8.592 331 HB3 PRO 45 1HB PRO 45 -0.634 -5.345 -8.361 332 HG2 PRO 45 2HG PRO 45 -1.909 -7.584 -9.888 333 HG3 PRO 45 1HG PRO 45 -0.532 -6.561 -10.342 334 HD2 PRO 45 2HD PRO 45 -0.213 -9.059 -9.366 335 HD3 PRO 45 1HD PRO 45 0.948 -7.757 -9.037 336 H TYR 46 H TYR 46 -2.486 -9.189 -7.753 337 HA TYR 46 HA TYR 46 -5.123 -8.345 -6.823 338 HB2 TYR 46 2HB TYR 46 -6.007 -10.237 -8.029 339 HB3 TYR 46 1HB TYR 46 -4.887 -9.371 -9.075 340 HD1 TYR 46 1HD TYR 46 -2.635 -10.330 -9.528 341 HD2 TYR 46 2HD TYR 46 -5.617 -12.498 -7.404 342 HE1 TYR 46 1HE TYR 46 -1.402 -12.418 -9.940 343 HE2 TYR 46 2HE TYR 46 -4.391 -14.591 -7.809 344 HH TYR 46 HH TYR 46 -2.537 -15.272 -9.859 345 H LEU 47 H LEU 47 -2.612 -9.499 -5.258 346 HA LEU 47 HA LEU 47 -4.275 -11.115 -3.456 347 HB2 LEU 47 2HB LEU 47 -1.500 -11.827 -4.400 348 HB3 LEU 47 1HB LEU 47 -2.316 -12.611 -3.062 349 HG LEU 47 HG LEU 47 -3.314 -12.606 -5.910 350 HD11 LEU 47 1HD1 LEU 47 -2.268 -15.022 -4.518 351 HD12 LEU 47 2HD1 LEU 47 -1.129 -13.888 -5.245 352 HD13 LEU 47 3HD1 LEU 47 -2.360 -14.664 -6.242 353 HD21 LEU 47 3HD2 LEU 47 -4.955 -14.150 -5.192 354 HD22 LEU 47 1HD2 LEU 47 -5.004 -12.811 -4.047 355 HD23 LEU 47 2HD2 LEU 47 -4.206 -14.320 -3.605 356 H GLN 48 H GLN 48 -2.655 -8.361 -3.723 357 HA GLN 48 HA GLN 48 -1.432 -8.526 -1.055 358 HB2 GLN 48 2HB GLN 48 -0.918 -6.677 -3.379 359 HB3 GLN 48 1HB GLN 48 -0.309 -6.354 -1.761 360 HG2 GLN 48 2HG GLN 48 0.979 -8.389 -1.790 361 HG3 GLN 48 1HG GLN 48 0.290 -8.838 -3.348 362 HE21 GLN 48 1HE2 GLN 48 0.434 -6.558 -4.778 363 HE22 GLN 48 2HE2 GLN 48 2.077 -6.070 -4.980 364 H CYS 49 H CYS 49 -2.742 -7.841 0.489 365 HA CYS 49 HA CYS 49 -4.572 -5.611 -0.081 366 HB2 CYS 49 2HB CYS 49 -5.750 -7.562 0.694 367 HB3 CYS 49 1HB CYS 49 -4.644 -7.759 2.045 368 HG CYS 49 HG CYS 49 -6.647 -6.652 3.103 369 H ILE 50 H ILE 50 -3.545 -3.765 0.371 370 HA ILE 50 HA ILE 50 -1.623 -3.557 2.501 371 HB ILE 50 HB ILE 50 -2.792 -1.302 0.877 372 HG12 ILE 50 2HG1 ILE 50 -0.147 -2.358 0.128 373 HG13 ILE 50 1HG1 ILE 50 -1.486 -3.451 -0.207 374 HG21 ILE 50 1HG2 ILE 50 -0.574 -1.583 2.805 375 HG22 ILE 50 2HG2 ILE 50 -1.609 -0.199 2.457 376 HG23 ILE 50 3HG2 ILE 50 -0.263 -0.585 1.384 377 HD11 ILE 50 3HD1 ILE 50 -2.581 -1.699 -1.507 378 HD12 ILE 50 1HD1 ILE 50 -0.976 -2.071 -2.132 379 HD13 ILE 50 2HD1 ILE 50 -1.232 -0.613 -1.174 380 H ARG 51 H ARG 51 -1.745 -2.189 4.304 381 HA ARG 51 HA ARG 51 -4.346 -1.097 5.037 382 HB2 ARG 51 2HB ARG 51 -2.832 -2.967 6.866 383 HB3 ARG 51 1HB ARG 51 -4.375 -2.191 7.197 384 HG2 ARG 51 2HG ARG 51 -4.958 -3.508 4.909 385 HG3 ARG 51 1HG ARG 51 -3.763 -4.592 5.624 386 HD2 ARG 51 2HD ARG 51 -5.327 -3.989 7.774 387 HD3 ARG 51 1HD ARG 51 -6.503 -3.981 6.460 388 HE ARG 51 HE ARG 51 -6.269 -6.254 6.278 389 HH11 ARG 51 1HH1 ARG 51 -3.657 -4.994 8.218 390 HH12 ARG 51 2HH1 ARG 51 -3.088 -6.558 8.693 391 HH21 ARG 51 1HH2 ARG 51 -5.523 -8.314 6.902 392 HH22 ARG 51 2HH2 ARG 51 -4.147 -8.444 7.946 393 H TYR 52 H TYR 52 -4.238 0.582 6.552 394 HA TYR 52 HA TYR 52 -1.696 1.293 7.735 395 HB2 TYR 52 2HB TYR 52 -1.551 3.489 6.688 396 HB3 TYR 52 1HB TYR 52 -1.508 2.228 5.463 397 HD1 TYR 52 2HD TYR 52 -3.999 1.578 4.600 398 HD2 TYR 52 1HD TYR 52 -2.814 5.344 6.187 399 HE1 TYR 52 2HE TYR 52 -5.870 2.656 3.423 400 HE2 TYR 52 1HE TYR 52 -4.681 6.432 5.015 401 HH TYR 52 HH TYR 52 -6.530 4.832 2.617 402 H GLY 53 H GLY 53 -1.875 3.324 9.040 403 HA2 GLY 53 2HA GLY 53 -2.925 4.609 10.627 404 HA3 GLY 53 1HA GLY 53 -4.399 4.432 9.688 405 H PHE 54 H PHE 54 -4.546 4.530 12.398 406 HA PHE 54 HA PHE 54 -5.178 1.748 13.125 407 HB2 PHE 54 2HB PHE 54 -3.635 3.773 14.541 408 HB3 PHE 54 1HB PHE 54 -4.945 3.125 15.523 409 HD1 PHE 54 1HD PHE 54 -5.152 0.419 15.168 410 HD2 PHE 54 2HD PHE 54 -1.613 2.761 14.857 411 HE1 PHE 54 1HE PHE 54 -3.795 -1.572 15.670 412 HE2 PHE 54 2HE PHE 54 -0.250 0.776 15.357 413 HZ PHE 54 HZ PHE 54 -1.340 -1.395 15.764 414 HA PRO 55 HA PRO 55 -6.705 0.442 13.918 415 HB2 PRO 55 2HB PRO 55 -9.214 0.157 12.398 416 HB3 PRO 55 1HB PRO 55 -8.704 -0.649 13.884 417 HG2 PRO 55 2HG PRO 55 -10.618 1.227 13.896 418 HG3 PRO 55 1HG PRO 55 -9.465 1.065 15.233 419 HD2 PRO 55 2HD PRO 55 -9.487 3.035 12.975 420 HD3 PRO 55 1HD PRO 55 -9.130 3.299 14.695 421 HA PRO 56 HA PRO 56 -5.065 0.088 9.842 422 HB2 PRO 56 2HB PRO 56 -5.098 -2.598 9.451 423 HB3 PRO 56 1HB PRO 56 -3.961 -1.799 10.542 424 HG2 PRO 56 2HG PRO 56 -6.519 -3.219 11.178 425 HG3 PRO 56 1HG PRO 56 -4.960 -3.292 12.020 426 HD2 PRO 56 2HD PRO 56 -7.027 -1.785 12.907 427 HD3 PRO 56 1HD PRO 56 -5.332 -1.312 13.142 428 H LYS 57 H LYS 57 -6.053 0.637 8.036 429 HA LYS 57 HA LYS 57 -8.709 -0.375 7.426 430 HB2 LYS 57 2HB LYS 57 -7.071 1.587 5.818 431 HB3 LYS 57 1HB LYS 57 -8.809 1.331 5.746 432 HG2 LYS 57 2HG LYS 57 -9.212 2.624 7.543 433 HG3 LYS 57 1HG LYS 57 -7.744 2.109 8.378 434 HD2 LYS 57 2HD LYS 57 -7.156 4.262 7.910 435 HD3 LYS 57 1HD LYS 57 -6.601 3.492 6.422 436 HE2 LYS 57 2HE LYS 57 -7.924 4.853 5.270 437 HE3 LYS 57 1HE LYS 57 -9.321 4.097 6.035 438 HZ1 LYS 57 3HZ LYS 57 -8.060 6.653 6.589 439 HZ2 LYS 57 1HZ LYS 57 -8.562 5.779 7.948 440 HZ3 LYS 57 2HZ LYS 57 -9.677 6.187 6.745 441 H GLU 58 H GLU 58 -9.051 -0.723 4.929 442 HA GLU 58 HA GLU 58 -7.133 -2.797 4.149 443 HB2 GLU 58 2HB GLU 58 -9.471 -3.496 4.388 444 HB3 GLU 58 1HB GLU 58 -9.959 -2.297 3.199 445 HG2 GLU 58 2HG GLU 58 -9.520 -3.676 1.526 446 HG3 GLU 58 1HG GLU 58 -7.895 -3.988 2.131 447 H LEU 59 H LEU 59 -7.813 0.387 3.452 448 HA LEU 59 HA LEU 59 -7.399 1.789 1.706 449 HB2 LEU 59 2HB LEU 59 -5.126 0.950 2.350 450 HB3 LEU 59 1HB LEU 59 -5.254 -0.227 1.059 451 HG LEU 59 HG LEU 59 -5.109 1.418 -0.619 452 HD11 LEU 59 1HD1 LEU 59 -6.038 3.241 1.522 453 HD12 LEU 59 2HD1 LEU 59 -6.498 3.158 -0.178 454 HD13 LEU 59 3HD1 LEU 59 -4.974 3.915 0.287 455 HD21 LEU 59 3HD2 LEU 59 -2.965 1.025 0.335 456 HD22 LEU 59 1HD2 LEU 59 -3.289 2.134 1.669 457 HD23 LEU 59 2HD2 LEU 59 -3.100 2.758 0.030 458 H MET 60 H MET 60 -9.276 1.521 0.515 459 HA MET 60 HA MET 60 -9.391 -0.546 -1.518 460 HB2 MET 60 2HB MET 60 -11.394 1.642 -0.955 461 HB3 MET 60 1HB MET 60 -11.662 0.166 -1.873 462 HG2 MET 60 2HG MET 60 -11.280 -1.145 0.170 463 HG3 MET 60 1HG MET 60 -11.097 0.357 1.074 464 HE1 MET 60 3HE MET 60 -13.932 -2.347 0.358 465 HE2 MET 60 1HE MET 60 -14.503 -1.607 1.853 466 HE3 MET 60 2HE MET 60 -12.797 -2.016 1.667 467 HA PRO 61 HA PRO 61 -8.016 1.799 -4.959 468 HB2 PRO 61 2HB PRO 61 -9.867 1.085 -6.866 469 HB3 PRO 61 1HB PRO 61 -8.495 0.082 -6.384 470 HG2 PRO 61 2HG PRO 61 -11.353 -0.071 -5.519 471 HG3 PRO 61 1HG PRO 61 -10.224 -1.385 -5.899 472 HD2 PRO 61 2HD PRO 61 -10.815 -0.709 -3.367 473 HD3 PRO 61 1HD PRO 61 -9.195 -1.266 -3.829 474 HA PRO 62 HA PRO 62 -10.321 5.587 -4.856 475 HB2 PRO 62 2HB PRO 62 -9.203 6.769 -7.059 476 HB3 PRO 62 1HB PRO 62 -8.427 6.706 -5.475 477 HG2 PRO 62 2HG PRO 62 -8.001 4.959 -7.867 478 HG3 PRO 62 1HG PRO 62 -6.801 5.657 -6.761 479 HD2 PRO 62 2HD PRO 62 -7.572 3.092 -6.571 480 HD3 PRO 62 1HD PRO 62 -7.194 4.060 -5.130 481 H GLN 63 H GLN 63 -11.277 7.099 -6.765 482 HA GLN 63 HA GLN 63 -12.741 5.372 -8.634 483 HB2 GLN 63 2HB GLN 63 -13.903 6.405 -6.380 484 HB3 GLN 63 1HB GLN 63 -14.281 7.641 -7.571 485 HG2 GLN 63 2HG GLN 63 -15.081 5.668 -9.028 486 HG3 GLN 63 1HG GLN 63 -15.097 4.767 -7.513 487 HE21 GLN 63 1HE2 GLN 63 -16.016 8.064 -8.463 488 HE22 GLN 63 2HE2 GLN 63 -17.607 7.995 -7.796 489 H ALA 64 H ALA 64 -14.312 7.327 -9.813 490 HA ALA 64 HA ALA 64 -12.570 8.443 -11.690 491 HB1 ALA 64 1HB ALA 64 -14.897 8.023 -12.203 492 HB2 ALA 64 2HB ALA 64 -14.525 9.726 -12.471 493 HB3 ALA 64 3HB ALA 64 -15.404 9.231 -11.023 494 H GLY 65 H GLY 65 -10.949 9.684 -10.803 495 HA2 GLY 65 2HA GLY 65 -10.677 12.206 -10.699 496 HA3 GLY 65 1HA GLY 65 -11.800 12.110 -9.350 497 H MET 66 H MET 66 -10.555 9.542 -8.460 498 HA MET 66 HA MET 66 -8.228 10.753 -7.135 499 HB2 MET 66 2HB MET 66 -10.241 8.712 -6.295 500 HB3 MET 66 1HB MET 66 -8.638 8.672 -5.576 501 HG2 MET 66 2HG MET 66 -10.093 11.259 -5.630 502 HG3 MET 66 1HG MET 66 -10.614 10.022 -4.487 503 HE1 MET 66 3HE MET 66 -8.514 12.754 -2.520 504 HE2 MET 66 1HE MET 66 -10.062 12.488 -3.322 505 HE3 MET 66 2HE MET 66 -8.721 13.209 -4.211 506 H GLU 67 H GLU 67 -9.124 8.354 -9.390 507 HA GLU 67 HA GLU 67 -7.235 6.360 -8.993 508 HB2 GLU 67 2HB GLU 67 -7.445 5.931 -11.436 509 HB3 GLU 67 1HB GLU 67 -8.992 6.081 -10.615 510 HG2 GLU 67 2HG GLU 67 -8.965 8.513 -11.372 511 HG3 GLU 67 1HG GLU 67 -7.653 8.037 -12.448 512 H LYS 68 H LYS 68 -6.869 9.560 -10.328 513 HA LYS 68 HA LYS 68 -4.168 9.021 -11.258 514 HB2 LYS 68 2HB LYS 68 -5.724 11.613 -11.227 515 HB3 LYS 68 1HB LYS 68 -4.194 11.335 -12.047 516 HG2 LYS 68 2HG LYS 68 -5.176 10.383 -13.810 517 HG3 LYS 68 1HG LYS 68 -6.277 9.439 -12.805 518 HD2 LYS 68 2HD LYS 68 -6.671 12.389 -13.161 519 HD3 LYS 68 1HD LYS 68 -7.254 11.249 -14.374 520 HE2 LYS 68 2HE LYS 68 -8.080 10.207 -11.914 521 HE3 LYS 68 1HE LYS 68 -8.378 11.942 -11.811 522 HZ1 LYS 68 3HZ LYS 68 -10.083 10.230 -12.905 523 HZ2 LYS 68 1HZ LYS 68 -9.196 10.651 -14.283 524 HZ3 LYS 68 2HZ LYS 68 -9.973 11.850 -13.379 525 H GLU 69 H GLU 69 -5.692 10.022 -8.398 526 HA GLU 69 HA GLU 69 -3.526 11.663 -7.428 527 HB2 GLU 69 2HB GLU 69 -6.046 10.594 -6.166 528 HB3 GLU 69 1HB GLU 69 -4.842 11.487 -5.247 529 HG2 GLU 69 2HG GLU 69 -5.266 13.109 -7.415 530 HG3 GLU 69 1HG GLU 69 -6.867 12.439 -7.107 531 HA PRO 70 HA PRO 70 -1.130 8.413 -5.657 532 HB2 PRO 70 2HB PRO 70 0.187 9.730 -3.715 533 HB3 PRO 70 1HB PRO 70 0.501 10.030 -5.427 534 HG2 PRO 70 2HG PRO 70 -1.165 11.606 -3.503 535 HG3 PRO 70 1HG PRO 70 -0.022 12.185 -4.728 536 HD2 PRO 70 2HD PRO 70 -2.730 12.139 -5.092 537 HD3 PRO 70 1HD PRO 70 -1.560 12.012 -6.421 538 H VAL 71 H VAL 71 -0.651 7.275 -3.631 539 HA VAL 71 HA VAL 71 -2.972 6.602 -2.215 540 HB VAL 71 HB VAL 71 -1.337 5.446 -0.628 541 HG11 VAL 71 1HG1 VAL 71 -1.551 3.680 -1.972 542 HG12 VAL 71 2HG1 VAL 71 -0.547 4.415 -3.222 543 HG13 VAL 71 3HG1 VAL 71 -2.270 4.782 -3.147 544 HG21 VAL 71 3HG2 VAL 71 0.894 5.638 -0.861 545 HG22 VAL 71 1HG2 VAL 71 0.482 7.186 -1.601 546 HG23 VAL 71 2HG2 VAL 71 0.804 5.781 -2.617 547 HA PRO 72 HA PRO 72 -3.163 9.428 1.183 548 HB2 PRO 72 2HB PRO 72 -3.919 7.887 3.252 549 HB3 PRO 72 1HB PRO 72 -4.986 8.183 1.875 550 HG2 PRO 72 2HG PRO 72 -3.220 5.819 2.412 551 HG3 PRO 72 1HG PRO 72 -4.921 5.841 1.913 552 HD2 PRO 72 2HD PRO 72 -2.921 5.456 0.151 553 HD3 PRO 72 1HD PRO 72 -4.401 6.332 -0.286 554 H LEU 73 H LEU 73 -0.689 7.225 1.021 555 HA LEU 73 HA LEU 73 0.426 7.906 3.640 556 HB2 LEU 73 2HB LEU 73 1.788 6.034 1.775 557 HB3 LEU 73 1HB LEU 73 1.676 5.987 3.525 558 HG LEU 73 HG LEU 73 -0.682 5.406 1.741 559 HD11 LEU 73 1HD1 LEU 73 1.137 3.842 1.232 560 HD12 LEU 73 2HD1 LEU 73 -0.234 3.057 2.016 561 HD13 LEU 73 3HD1 LEU 73 1.226 3.414 2.940 562 HD21 LEU 73 3HD2 LEU 73 -0.930 6.039 4.207 563 HD22 LEU 73 1HD2 LEU 73 -0.198 4.470 4.549 564 HD23 LEU 73 2HD2 LEU 73 -1.717 4.560 3.655 565 H GLN 74 H GLN 74 2.694 8.521 3.781 566 HA GLN 74 HA GLN 74 3.794 9.757 1.366 567 HB2 GLN 74 2HB GLN 74 3.241 11.168 3.970 568 HB3 GLN 74 1HB GLN 74 4.378 11.785 2.779 569 HG2 GLN 74 2HG GLN 74 1.503 11.191 2.142 570 HG3 GLN 74 1HG GLN 74 2.060 12.761 2.718 571 HE21 GLN 74 1HE2 GLN 74 0.835 11.988 0.169 572 HE22 GLN 74 2HE2 GLN 74 1.943 12.490 -1.057 573 H HIS 75 H HIS 75 6.012 10.849 2.093 574 HA HIS 75 HA HIS 75 7.795 8.803 2.612 575 HB2 HIS 75 2HB HIS 75 8.200 11.174 1.654 576 HB3 HIS 75 1HB HIS 75 8.427 11.653 3.332 577 HD1 HIS 75 1HD HIS 75 9.914 8.868 4.045 578 HD2 HIS 75 2HD HIS 75 10.898 11.567 1.044 579 HE1 HIS 75 1HE HIS 75 12.350 8.474 3.558 580 HE2 HIS 75 2HE HIS 75 12.898 10.053 1.675 581 H GLY 76 H GLY 76 7.866 7.595 4.385 582 HA2 GLY 76 2HA GLY 76 8.733 7.434 6.634 583 HA3 GLY 76 1HA GLY 76 7.983 8.983 6.983 584 H ASP 77 H ASP 77 5.921 7.049 5.140 585 HA ASP 77 HA ASP 77 4.236 6.604 7.458 586 HB2 ASP 77 2HB ASP 77 3.844 6.845 4.590 587 HB3 ASP 77 1HB ASP 77 2.981 5.456 5.243 588 H ARG 78 H ARG 78 2.893 4.374 7.082 589 HA ARG 78 HA ARG 78 4.718 2.166 6.566 590 HB2 ARG 78 2HB ARG 78 4.163 1.115 8.770 591 HB3 ARG 78 1HB ARG 78 5.173 2.549 8.889 592 HG2 ARG 78 2HG ARG 78 2.195 2.687 9.214 593 HG3 ARG 78 1HG ARG 78 3.268 2.298 10.560 594 HD2 ARG 78 2HD ARG 78 4.344 4.565 9.257 595 HD3 ARG 78 1HD ARG 78 2.616 4.851 9.459 596 HE ARG 78 HE ARG 78 3.915 3.874 11.830 597 HH11 ARG 78 1HH1 ARG 78 3.105 6.714 9.971 598 HH12 ARG 78 2HH1 ARG 78 3.193 7.783 11.331 599 HH21 ARG 78 1HH2 ARG 78 4.031 5.277 13.620 600 HH22 ARG 78 2HH2 ARG 78 3.720 6.968 13.402 601 H ILE 79 H ILE 79 3.699 0.235 6.097 602 HA ILE 79 HA ILE 79 0.780 0.178 6.221 603 HB ILE 79 HB ILE 79 0.935 -0.811 3.799 604 HG12 ILE 79 2HG1 ILE 79 3.275 1.103 3.847 605 HG13 ILE 79 1HG1 ILE 79 3.384 -0.641 3.631 606 HG21 ILE 79 1HG2 ILE 79 -0.427 1.069 4.395 607 HG22 ILE 79 2HG2 ILE 79 0.441 1.434 2.906 608 HG23 ILE 79 3HG2 ILE 79 0.983 2.127 4.435 609 HD11 ILE 79 3HD1 ILE 79 3.405 1.056 1.599 610 HD12 ILE 79 1HD1 ILE 79 1.659 0.849 1.748 611 HD13 ILE 79 2HD1 ILE 79 2.694 -0.553 1.479 612 H THR 80 H THR 80 -0.122 -1.936 5.689 613 HA THR 80 HA THR 80 1.776 -4.141 6.092 614 HB THR 80 HB THR 80 -0.906 -3.825 7.446 615 HG1 THR 80 1HG THR 80 1.753 -3.685 8.395 616 HG21 THR 80 3HG2 THR 80 0.382 -6.199 6.818 617 HG22 THR 80 1HG2 THR 80 -0.896 -5.965 8.010 618 HG23 THR 80 2HG2 THR 80 0.795 -5.894 8.505 619 H ILE 81 H ILE 81 1.543 -5.759 4.699 620 HA ILE 81 HA ILE 81 -0.749 -5.692 2.880 621 HB ILE 81 HB ILE 81 1.772 -7.306 2.545 622 HG12 ILE 81 2HG1 ILE 81 2.428 -4.982 2.704 623 HG13 ILE 81 1HG1 ILE 81 2.520 -5.488 1.021 624 HG21 ILE 81 1HG2 ILE 81 0.910 -6.787 0.064 625 HG22 ILE 81 2HG2 ILE 81 -0.633 -6.764 0.919 626 HG23 ILE 81 3HG2 ILE 81 0.393 -8.197 0.991 627 HD11 ILE 81 3HD1 ILE 81 -0.044 -4.486 1.287 628 HD12 ILE 81 1HD1 ILE 81 1.335 -3.681 0.539 629 HD13 ILE 81 2HD1 ILE 81 0.959 -3.391 2.237 630 H GLU 82 H GLU 82 -1.805 -7.647 2.271 631 HA GLU 82 HA GLU 82 -1.432 -9.912 4.093 632 HB2 GLU 82 2HB GLU 82 -3.246 -8.940 5.172 633 HB3 GLU 82 1HB GLU 82 -3.945 -8.337 3.679 634 HG2 GLU 82 2HG GLU 82 -4.697 -10.529 3.072 635 HG3 GLU 82 1HG GLU 82 -3.841 -11.247 4.434 636 H ILE 83 H ILE 83 -1.057 -11.638 2.910 637 HA ILE 83 HA ILE 83 -1.509 -11.760 0.126 638 HB ILE 83 HB ILE 83 -0.889 -13.996 2.061 639 HG12 ILE 83 2HG1 ILE 83 1.311 -13.447 0.416 640 HG13 ILE 83 1HG1 ILE 83 0.697 -11.867 0.887 641 HG21 ILE 83 1HG2 ILE 83 -1.514 -15.273 0.311 642 HG22 ILE 83 2HG2 ILE 83 0.072 -14.831 -0.321 643 HG23 ILE 83 3HG2 ILE 83 -1.363 -13.950 -0.844 644 HD11 ILE 83 3HD1 ILE 83 2.103 -13.883 2.451 645 HD12 ILE 83 1HD1 ILE 83 0.685 -13.213 3.258 646 HD13 ILE 83 2HD1 ILE 83 1.968 -12.142 2.695 647 H LEU 84 H LEU 84 -3.468 -11.817 -0.726 648 HA LEU 84 HA LEU 84 -5.722 -12.961 0.616 649 HB2 LEU 84 2HB LEU 84 -5.563 -12.108 -2.267 650 HB3 LEU 84 1HB LEU 84 -7.000 -12.242 -1.271 651 HG LEU 84 HG LEU 84 -4.821 -10.171 -1.068 652 HD11 LEU 84 1HD1 LEU 84 -7.700 -10.164 -1.878 653 HD12 LEU 84 2HD1 LEU 84 -6.303 -9.494 -2.719 654 HD13 LEU 84 3HD1 LEU 84 -6.925 -8.701 -1.272 655 HD21 LEU 84 3HD2 LEU 84 -6.641 -9.347 0.723 656 HD22 LEU 84 1HD2 LEU 84 -5.224 -10.307 1.151 657 HD23 LEU 84 2HD2 LEU 84 -6.788 -11.092 0.931 658 H LYS 85 H LYS 85 -7.203 -14.462 -0.735 659 HA LYS 85 HA LYS 85 -5.590 -16.789 -1.444 660 HB2 LYS 85 2HB LYS 85 -8.028 -16.420 -0.042 661 HB3 LYS 85 1HB LYS 85 -8.403 -17.332 -1.498 662 HG2 LYS 85 2HG LYS 85 -6.378 -18.060 0.608 663 HG3 LYS 85 1HG LYS 85 -7.933 -18.841 0.316 664 HD2 LYS 85 2HD LYS 85 -7.096 -20.100 -1.330 665 HD3 LYS 85 1HD LYS 85 -6.291 -18.720 -2.079 666 HE2 LYS 85 2HE LYS 85 -4.427 -19.851 -1.487 667 HE3 LYS 85 1HE LYS 85 -4.710 -19.063 0.064 668 HZ1 LYS 85 3HZ LYS 85 -6.010 -21.093 0.688 669 HZ2 LYS 85 1HZ LYS 85 -4.347 -21.339 0.500 670 HZ3 LYS 85 2HZ LYS 85 -5.419 -21.834 -0.712 671 H GLY 86 H GLY 86 -4.952 -16.517 -3.517 672 HA2 GLY 86 2HA GLY 86 -6.604 -15.473 -5.582 673 HA3 GLY 86 1HA GLY 86 -5.083 -16.325 -5.806 Start of MODEL 19 1 H1 LYS 6 H LYS 6 14.580 10.155 -2.745 2 HA LYS 6 HA LYS 6 13.618 11.534 -5.064 3 HB2 LYS 6 2HB LYS 6 15.026 9.003 -5.376 4 HB3 LYS 6 1HB LYS 6 13.389 8.932 -6.013 5 HG2 LYS 6 2HG LYS 6 13.804 10.741 -7.501 6 HG3 LYS 6 1HG LYS 6 15.358 11.086 -6.740 7 HD2 LYS 6 2HD LYS 6 14.689 8.510 -8.159 8 HD3 LYS 6 1HD LYS 6 15.538 9.865 -8.904 9 HE2 LYS 6 2HE LYS 6 17.471 9.241 -7.995 10 HE3 LYS 6 1HE LYS 6 16.752 9.155 -6.388 11 HZ1 LYS 6 3HZ LYS 6 16.194 6.934 -6.673 12 HZ2 LYS 6 1HZ LYS 6 17.726 7.034 -7.383 13 HZ3 LYS 6 2HZ LYS 6 16.344 6.993 -8.356 14 H GLU 7 H GLU 7 11.431 11.353 -5.297 15 HA GLU 7 HA GLU 7 9.318 11.158 -4.505 16 HB2 GLU 7 2HB GLU 7 9.048 8.407 -4.117 17 HB3 GLU 7 1HB GLU 7 8.699 9.311 -5.577 18 HG2 GLU 7 2HG GLU 7 11.375 8.106 -4.933 19 HG3 GLU 7 1HG GLU 7 10.134 7.319 -5.900 20 H LYS 8 H LYS 8 8.047 9.412 -2.867 21 HA LYS 8 HA LYS 8 9.152 10.165 -0.263 22 HB2 LYS 8 2HB LYS 8 6.944 9.850 0.632 23 HB3 LYS 8 1HB LYS 8 6.810 10.818 -0.828 24 HG2 LYS 8 2HG LYS 8 6.516 8.201 -1.699 25 HG3 LYS 8 1HG LYS 8 5.626 8.268 -0.182 26 HD2 LYS 8 2HD LYS 8 4.806 10.570 -1.308 27 HD3 LYS 8 1HD LYS 8 5.087 9.600 -2.756 28 HE2 LYS 8 2HE LYS 8 3.672 7.813 -1.742 29 HE3 LYS 8 1HE LYS 8 3.296 8.924 -0.428 30 HZ1 LYS 8 3HZ LYS 8 2.818 9.699 -3.233 31 HZ2 LYS 8 1HZ LYS 8 2.095 10.300 -1.826 32 HZ3 LYS 8 2HZ LYS 8 1.686 8.761 -2.396 33 H LYS 9 H LYS 9 9.337 8.668 1.434 34 HA LYS 9 HA LYS 9 9.536 5.876 0.530 35 HB2 LYS 9 2HB LYS 9 11.708 6.740 1.109 36 HB3 LYS 9 1HB LYS 9 11.107 7.363 2.639 37 HG2 LYS 9 2HG LYS 9 10.670 4.503 2.339 38 HG3 LYS 9 1HG LYS 9 12.373 4.953 2.245 39 HD2 LYS 9 2HD LYS 9 11.338 6.446 4.369 40 HD3 LYS 9 1HD LYS 9 10.618 4.845 4.539 41 HE2 LYS 9 2HE LYS 9 13.231 4.261 3.949 42 HE3 LYS 9 1HE LYS 9 13.380 5.720 4.929 43 HZ1 LYS 9 3HZ LYS 9 13.293 4.241 6.602 44 HZ2 LYS 9 1HZ LYS 9 12.499 3.059 5.687 45 HZ3 LYS 9 2HZ LYS 9 11.621 4.335 6.365 46 H ILE 10 H ILE 10 8.387 4.357 1.533 47 HA ILE 10 HA ILE 10 7.178 4.990 4.132 48 HB ILE 10 HB ILE 10 5.428 3.371 2.447 49 HG12 ILE 10 2HG1 ILE 10 6.384 4.929 0.728 50 HG13 ILE 10 1HG1 ILE 10 4.649 5.111 0.973 51 HG21 ILE 10 1HG2 ILE 10 5.254 5.619 4.372 52 HG22 ILE 10 2HG2 ILE 10 4.386 4.084 4.340 53 HG23 ILE 10 3HG2 ILE 10 3.910 5.390 3.254 54 HD11 ILE 10 3HD1 ILE 10 6.052 6.877 2.725 55 HD12 ILE 10 1HD1 ILE 10 4.906 7.253 1.439 56 HD13 ILE 10 2HD1 ILE 10 6.624 7.093 1.071 57 H ARG 11 H ARG 11 6.324 3.039 5.244 58 HA ARG 11 HA ARG 11 8.159 0.800 4.801 59 HB2 ARG 11 2HB ARG 11 8.125 1.802 7.042 60 HB3 ARG 11 1HB ARG 11 6.406 1.454 7.177 61 HG2 ARG 11 2HG ARG 11 6.906 -0.952 7.023 62 HG3 ARG 11 1HG ARG 11 8.628 -0.569 6.967 63 HD2 ARG 11 2HD ARG 11 6.865 0.371 9.209 64 HD3 ARG 11 1HD ARG 11 7.623 -1.221 9.230 65 HE ARG 11 HE ARG 11 9.462 0.932 8.733 66 HH11 ARG 11 1HH1 ARG 11 7.848 -0.942 11.194 67 HH12 ARG 11 2HH1 ARG 11 9.043 -0.616 12.403 68 HH21 ARG 11 1HH2 ARG 11 11.035 1.362 10.321 69 HH22 ARG 11 2HH2 ARG 11 10.854 0.693 11.908 70 H ILE 12 H ILE 12 7.394 -1.389 4.912 71 HA ILE 12 HA ILE 12 4.525 -1.743 4.412 72 HB ILE 12 HB ILE 12 6.680 -3.017 2.724 73 HG12 ILE 12 2HG1 ILE 12 4.582 -1.120 1.709 74 HG13 ILE 12 1HG1 ILE 12 6.088 -0.502 2.381 75 HG21 ILE 12 1HG2 ILE 12 4.935 -4.559 2.868 76 HG22 ILE 12 2HG2 ILE 12 4.608 -3.686 1.370 77 HG23 ILE 12 3HG2 ILE 12 3.699 -3.301 2.832 78 HD11 ILE 12 3HD1 ILE 12 6.253 -0.644 -0.018 79 HD12 ILE 12 1HD1 ILE 12 5.806 -2.350 0.022 80 HD13 ILE 12 2HD1 ILE 12 7.337 -1.824 0.720 81 H THR 13 H THR 13 3.688 -3.736 5.025 82 HA THR 13 HA THR 13 5.475 -5.769 6.056 83 HB THR 13 HB THR 13 3.356 -4.875 7.950 84 HG1 THR 13 1HG THR 13 5.903 -3.663 7.663 85 HG21 THR 13 3HG2 THR 13 4.303 -6.605 8.982 86 HG22 THR 13 1HG2 THR 13 5.569 -5.445 9.386 87 HG23 THR 13 2HG2 THR 13 5.766 -6.520 8.003 88 H THR 14 H THR 14 4.732 -7.590 5.196 89 HA THR 14 HA THR 14 1.928 -7.819 4.511 90 HB THR 14 HB THR 14 2.493 -9.488 3.072 91 HG1 THR 14 1HG THR 14 3.385 -11.160 3.916 92 HG21 THR 14 3HG2 THR 14 5.248 -8.357 3.431 93 HG22 THR 14 1HG2 THR 14 3.948 -7.533 2.569 94 HG23 THR 14 2HG2 THR 14 4.555 -9.081 1.980 95 H ASN 15 H ASN 15 0.505 -9.247 5.279 96 HA ASN 15 HA ASN 15 0.483 -9.890 7.954 97 HB2 ASN 15 2HB ASN 15 -1.599 -10.711 7.547 98 HB3 ASN 15 1HB ASN 15 -1.351 -9.957 5.984 99 HD21 ASN 15 1HD2 ASN 15 -0.380 -11.378 4.314 100 HD22 ASN 15 2HD2 ASN 15 -0.912 -13.019 4.258 101 H ASP 16 H ASP 16 1.943 -11.647 5.335 102 HA ASP 16 HA ASP 16 2.051 -14.194 6.512 103 HB2 ASP 16 2HB ASP 16 2.978 -13.036 4.151 104 HB3 ASP 16 1HB ASP 16 4.437 -13.590 4.969 105 H GLY 17 H GLY 17 3.672 -11.287 7.314 106 HA2 GLY 17 2HA GLY 17 4.710 -11.182 9.501 107 HA3 GLY 17 1HA GLY 17 5.352 -12.791 9.212 108 H ARG 18 H ARG 18 5.389 -10.296 6.747 109 HA ARG 18 HA ARG 18 8.276 -9.938 7.232 110 HB2 ARG 18 2HB ARG 18 8.836 -10.249 4.969 111 HB3 ARG 18 1HB ARG 18 7.736 -11.567 5.348 112 HG2 ARG 18 2HG ARG 18 5.901 -10.217 4.344 113 HG3 ARG 18 1HG ARG 18 7.114 -9.056 3.818 114 HD2 ARG 18 2HD ARG 18 6.557 -10.616 2.029 115 HD3 ARG 18 1HD ARG 18 8.235 -10.795 2.535 116 HE ARG 18 HE ARG 18 7.732 -12.879 3.434 117 HH11 ARG 18 1HH1 ARG 18 4.828 -11.323 2.271 118 HH12 ARG 18 2HH1 ARG 18 3.909 -12.790 2.242 119 HH21 ARG 18 1HH2 ARG 18 6.526 -14.802 3.392 120 HH22 ARG 18 2HH2 ARG 18 4.876 -14.765 2.867 121 H GLN 19 H GLN 19 9.191 -7.996 6.193 122 HA GLN 19 HA GLN 19 7.273 -5.935 5.461 123 HB2 GLN 19 2HB GLN 19 8.680 -4.415 7.144 124 HB3 GLN 19 1HB GLN 19 7.214 -5.250 7.630 125 HG2 GLN 19 2HG GLN 19 8.809 -5.610 9.330 126 HG3 GLN 19 1HG GLN 19 8.662 -7.126 8.443 127 HE21 GLN 19 1HE2 GLN 19 10.578 -8.062 8.471 128 HE22 GLN 19 2HE2 GLN 19 12.083 -7.303 8.090 129 H SER 20 H SER 20 8.289 -3.974 4.659 130 HA SER 20 HA SER 20 11.089 -3.917 4.098 131 HB2 SER 20 2HB SER 20 9.586 -5.436 2.317 132 HB3 SER 20 1HB SER 20 9.743 -3.876 1.511 133 HG SER 20 HG SER 20 11.885 -5.407 2.575 134 H MET 21 H MET 21 11.407 -2.115 2.249 135 HA MET 21 HA MET 21 9.481 0.042 2.793 136 HB2 MET 21 2HB MET 21 11.216 1.631 3.140 137 HB3 MET 21 1HB MET 21 11.594 0.248 4.157 138 HG2 MET 21 2HG MET 21 12.800 0.578 1.432 139 HG3 MET 21 1HG MET 21 13.496 1.338 2.861 140 HE1 MET 21 3HE MET 21 13.130 -2.774 1.415 141 HE2 MET 21 1HE MET 21 14.704 -2.097 1.000 142 HE3 MET 21 2HE MET 21 13.230 -1.219 0.591 143 H VAL 22 H VAL 22 9.354 1.694 1.229 144 HA VAL 22 HA VAL 22 10.537 1.080 -1.380 145 HB VAL 22 HB VAL 22 8.311 1.615 -2.428 146 HG11 VAL 22 1HG1 VAL 22 9.223 -0.661 -2.292 147 HG12 VAL 22 2HG1 VAL 22 7.462 -0.641 -2.207 148 HG13 VAL 22 3HG1 VAL 22 8.414 -0.875 -0.741 149 HG21 VAL 22 3HG2 VAL 22 7.179 2.657 -0.609 150 HG22 VAL 22 1HG2 VAL 22 7.395 1.234 0.410 151 HG23 VAL 22 2HG2 VAL 22 6.321 1.164 -0.988 152 H THR 23 H THR 23 9.957 2.889 -2.969 153 HA THR 23 HA THR 23 10.162 5.470 -1.563 154 HB THR 23 HB THR 23 12.184 4.612 -2.894 155 HG1 THR 23 1HG THR 23 11.794 6.834 -2.274 156 HG21 THR 23 3HG2 THR 23 12.091 4.271 -5.079 157 HG22 THR 23 1HG2 THR 23 11.257 5.800 -5.347 158 HG23 THR 23 2HG2 THR 23 10.335 4.353 -4.942 159 H LEU 24 H LEU 24 7.671 4.486 -2.023 160 HA LEU 24 HA LEU 24 6.174 4.698 -4.162 161 HB2 LEU 24 2HB LEU 24 5.669 5.058 -1.498 162 HB3 LEU 24 1HB LEU 24 5.161 6.596 -2.168 163 HG LEU 24 HG LEU 24 3.590 5.490 -3.644 164 HD11 LEU 24 1HD1 LEU 24 4.599 3.479 -4.253 165 HD12 LEU 24 2HD1 LEU 24 3.236 2.984 -3.250 166 HD13 LEU 24 3HD1 LEU 24 4.867 2.998 -2.579 167 HD21 LEU 24 3HD2 LEU 24 2.107 4.447 -1.925 168 HD22 LEU 24 1HD2 LEU 24 2.724 6.041 -1.490 169 HD23 LEU 24 2HD2 LEU 24 3.435 4.595 -0.773 170 H LYS 25 H LYS 25 5.764 6.015 -5.833 171 HA LYS 25 HA LYS 25 7.269 8.360 -6.206 172 HB2 LYS 25 2HB LYS 25 5.221 6.886 -7.725 173 HB3 LYS 25 1HB LYS 25 5.300 8.609 -8.070 174 HG2 LYS 25 2HG LYS 25 6.756 7.705 -9.619 175 HG3 LYS 25 1HG LYS 25 7.838 8.209 -8.318 176 HD2 LYS 25 2HD LYS 25 6.732 5.422 -8.594 177 HD3 LYS 25 1HD LYS 25 8.297 5.930 -9.238 178 HE2 LYS 25 2HE LYS 25 8.433 6.837 -6.673 179 HE3 LYS 25 1HE LYS 25 7.482 5.365 -6.480 180 HZ1 LYS 25 3HZ LYS 25 9.371 4.237 -6.579 181 HZ2 LYS 25 1HZ LYS 25 10.259 5.630 -6.945 182 HZ3 LYS 25 2HZ LYS 25 9.563 4.721 -8.187 183 H SER 26 H SER 26 6.291 10.496 -6.790 184 HA SER 26 HA SER 26 4.934 11.488 -4.550 185 HB2 SER 26 2HB SER 26 4.625 13.533 -6.235 186 HB3 SER 26 1HB SER 26 6.189 13.152 -5.515 187 HG SER 26 HG SER 26 6.915 12.690 -7.427 188 H SER 27 H SER 27 3.827 10.357 -7.651 189 HA SER 27 HA SER 27 1.060 10.977 -6.849 190 HB2 SER 27 2HB SER 27 2.328 10.963 -9.588 191 HB3 SER 27 1HB SER 27 0.581 10.883 -9.361 192 HG SER 27 HG SER 27 0.597 12.947 -9.033 193 H THR 28 H THR 28 2.014 8.730 -5.820 194 HA THR 28 HA THR 28 1.489 6.495 -7.602 195 HB THR 28 HB THR 28 2.380 6.655 -4.723 196 HG1 THR 28 1HG THR 28 3.963 7.157 -6.239 197 HG21 THR 28 3HG2 THR 28 2.909 4.096 -5.746 198 HG22 THR 28 1HG2 THR 28 1.200 4.417 -6.037 199 HG23 THR 28 2HG2 THR 28 1.854 4.538 -4.404 200 H THR 29 H THR 29 -0.644 6.221 -7.994 201 HA THR 29 HA THR 29 -2.621 6.598 -5.931 202 HB THR 29 HB THR 29 -3.241 7.147 -8.201 203 HG1 THR 29 1HG THR 29 -4.608 4.741 -7.665 204 HG21 THR 29 3HG2 THR 29 -2.668 4.276 -8.885 205 HG22 THR 29 1HG2 THR 29 -1.817 5.699 -9.485 206 HG23 THR 29 2HG2 THR 29 -3.501 5.425 -9.933 207 H PHE 30 H PHE 30 -4.302 4.720 -5.694 208 HA PHE 30 HA PHE 30 -3.205 2.689 -4.232 209 HB2 PHE 30 2HB PHE 30 -5.595 3.155 -4.206 210 HB3 PHE 30 1HB PHE 30 -5.751 2.579 -5.862 211 HD1 PHE 30 1HD PHE 30 -4.635 1.432 -2.499 212 HD2 PHE 30 2HD PHE 30 -6.382 0.395 -6.238 213 HE1 PHE 30 1HE PHE 30 -5.066 -0.842 -1.663 214 HE2 PHE 30 2HE PHE 30 -6.816 -1.880 -5.409 215 HZ PHE 30 HZ PHE 30 -6.158 -2.501 -3.119 216 H PHE 31 H PHE 31 -3.558 2.852 -7.700 217 HA PHE 31 HA PHE 31 -2.957 0.091 -8.174 218 HB2 PHE 31 2HB PHE 31 -2.716 2.401 -10.107 219 HB3 PHE 31 1HB PHE 31 -2.863 0.695 -10.510 220 HD1 PHE 31 2HD PHE 31 -5.013 -0.496 -9.950 221 HD2 PHE 31 1HD PHE 31 -4.611 3.738 -9.798 222 HE1 PHE 31 2HE PHE 31 -7.461 -0.264 -10.048 223 HE2 PHE 31 1HE PHE 31 -7.059 3.978 -9.895 224 HZ PHE 31 HZ PHE 31 -8.487 1.976 -10.020 225 H GLU 32 H GLU 32 -1.129 3.127 -8.468 226 HA GLU 32 HA GLU 32 1.300 2.020 -9.300 227 HB2 GLU 32 2HB GLU 32 0.521 4.558 -7.923 228 HB3 GLU 32 1HB GLU 32 2.226 4.147 -8.053 229 HG2 GLU 32 2HG GLU 32 0.744 3.887 -10.558 230 HG3 GLU 32 1HG GLU 32 0.787 5.525 -9.907 231 H LEU 33 H LEU 33 -0.121 2.378 -6.122 232 HA LEU 33 HA LEU 33 2.216 1.735 -4.637 233 HB2 LEU 33 2HB LEU 33 0.456 2.889 -3.521 234 HB3 LEU 33 1HB LEU 33 -0.722 1.674 -3.976 235 HG LEU 33 HG LEU 33 0.178 0.095 -2.425 236 HD11 LEU 33 1HD1 LEU 33 2.327 2.080 -1.723 237 HD12 LEU 33 2HD1 LEU 33 2.566 0.723 -2.823 238 HD13 LEU 33 3HD1 LEU 33 2.149 0.426 -1.136 239 HD21 LEU 33 3HD2 LEU 33 0.203 2.713 -0.953 240 HD22 LEU 33 1HD2 LEU 33 -0.341 1.135 -0.380 241 HD23 LEU 33 2HD2 LEU 33 -1.277 2.004 -1.597 242 H GLN 34 H GLN 34 -0.589 -0.162 -5.711 243 HA GLN 34 HA GLN 34 0.105 -2.603 -4.560 244 HB2 GLN 34 2HB GLN 34 -1.347 -2.064 -7.156 245 HB3 GLN 34 1HB GLN 34 -1.292 -3.626 -6.351 246 HG2 GLN 34 2HG GLN 34 -2.188 -1.434 -4.639 247 HG3 GLN 34 1HG GLN 34 -3.233 -1.747 -6.023 248 HE21 GLN 34 1HE2 GLN 34 -1.330 -3.794 -3.834 249 HE22 GLN 34 2HE2 GLN 34 -2.635 -4.839 -3.399 250 H GLU 35 H GLU 35 1.378 -0.991 -7.363 251 HA GLU 35 HA GLU 35 2.705 -3.329 -8.405 252 HB2 GLU 35 2HB GLU 35 1.933 -1.524 -9.894 253 HB3 GLU 35 1HB GLU 35 3.049 -0.411 -9.116 254 HG2 GLU 35 2HG GLU 35 4.749 -1.093 -10.366 255 HG3 GLU 35 1HG GLU 35 4.392 -2.792 -10.063 256 H SER 36 H SER 36 3.432 -0.776 -6.176 257 HA SER 36 HA SER 36 6.271 -0.999 -6.294 258 HB2 SER 36 2HB SER 36 4.291 0.396 -4.575 259 HB3 SER 36 1HB SER 36 5.868 0.070 -3.855 260 HG SER 36 HG SER 36 5.305 1.528 -6.218 261 H ILE 37 H ILE 37 3.852 -2.122 -3.930 262 HA ILE 37 HA ILE 37 5.596 -3.534 -2.273 263 HB ILE 37 HB ILE 37 2.723 -4.254 -2.873 264 HG12 ILE 37 2HG1 ILE 37 3.231 -2.754 -0.425 265 HG13 ILE 37 1HG1 ILE 37 3.686 -1.848 -1.865 266 HG21 ILE 37 1HG2 ILE 37 4.292 -5.852 -1.567 267 HG22 ILE 37 2HG2 ILE 37 2.691 -5.494 -0.921 268 HG23 ILE 37 3HG2 ILE 37 4.111 -4.684 -0.260 269 HD11 ILE 37 3HD1 ILE 37 1.248 -1.772 -0.853 270 HD12 ILE 37 1HD1 ILE 37 1.051 -3.195 -1.875 271 HD13 ILE 37 2HD1 ILE 37 1.547 -1.660 -2.588 272 H ALA 38 H ALA 38 3.931 -4.500 -5.224 273 HA ALA 38 HA ALA 38 4.468 -7.235 -5.162 274 HB1 ALA 38 1HB ALA 38 3.042 -5.770 -6.805 275 HB2 ALA 38 2HB ALA 38 3.739 -7.301 -7.337 276 HB3 ALA 38 3HB ALA 38 4.524 -5.780 -7.761 277 H ARG 39 H ARG 39 6.599 -4.582 -5.605 278 HA ARG 39 HA ARG 39 8.641 -6.197 -6.912 279 HB2 ARG 39 2HB ARG 39 9.072 -3.401 -5.912 280 HB3 ARG 39 1HB ARG 39 9.834 -4.219 -7.269 281 HG2 ARG 39 2HG ARG 39 7.279 -4.213 -8.106 282 HG3 ARG 39 1HG ARG 39 7.292 -2.747 -7.125 283 HD2 ARG 39 2HD ARG 39 8.579 -1.636 -8.588 284 HD3 ARG 39 1HD ARG 39 9.621 -3.030 -8.870 285 HE ARG 39 HE ARG 39 7.021 -3.241 -10.087 286 HH11 ARG 39 1HH1 ARG 39 10.294 -2.093 -10.485 287 HH12 ARG 39 2HH1 ARG 39 10.221 -2.111 -12.215 288 HH21 ARG 39 1HH2 ARG 39 6.926 -3.266 -12.361 289 HH22 ARG 39 2HH2 ARG 39 8.310 -2.776 -13.280 290 H GLU 40 H GLU 40 8.284 -4.293 -3.931 291 HA GLU 40 HA GLU 40 10.691 -5.103 -2.739 292 HB2 GLU 40 2HB GLU 40 8.320 -3.618 -1.970 293 HB3 GLU 40 1HB GLU 40 8.923 -4.599 -0.641 294 HG2 GLU 40 2HG GLU 40 9.812 -2.275 -0.724 295 HG3 GLU 40 1HG GLU 40 11.042 -3.537 -0.704 296 H PHE 41 H PHE 41 7.618 -6.684 -3.018 297 HA PHE 41 HA PHE 41 8.646 -8.883 -1.349 298 HB2 PHE 41 2HB PHE 41 5.746 -8.061 -1.606 299 HB3 PHE 41 1HB PHE 41 6.387 -9.344 -0.583 300 HD1 PHE 41 1HD PHE 41 6.201 -5.702 -1.066 301 HD2 PHE 41 2HD PHE 41 7.385 -8.865 1.519 302 HE1 PHE 41 1HE PHE 41 6.503 -4.087 0.764 303 HE2 PHE 41 2HE PHE 41 7.687 -7.256 3.356 304 HZ PHE 41 HZ PHE 41 7.246 -4.865 2.979 305 H ASN 42 H ASN 42 6.779 -10.798 -1.853 306 HA ASN 42 HA ASN 42 7.042 -11.200 -4.759 307 HB2 ASN 42 2HB ASN 42 6.963 -13.335 -2.619 308 HB3 ASN 42 1HB ASN 42 7.254 -13.578 -4.339 309 HD21 ASN 42 1HD2 ASN 42 8.524 -11.839 -1.531 310 HD22 ASN 42 2HD2 ASN 42 10.187 -11.982 -1.975 311 H ILE 43 H ILE 43 4.832 -9.853 -4.069 312 HA ILE 43 HA ILE 43 2.731 -11.847 -4.490 313 HB ILE 43 HB ILE 43 2.391 -9.506 -2.615 314 HG12 ILE 43 2HG1 ILE 43 2.044 -11.803 -1.135 315 HG13 ILE 43 1HG1 ILE 43 3.396 -12.227 -2.180 316 HG21 ILE 43 1HG2 ILE 43 0.573 -11.871 -2.999 317 HG22 ILE 43 2HG2 ILE 43 0.396 -10.373 -3.913 318 HG23 ILE 43 3HG2 ILE 43 0.237 -10.358 -2.156 319 HD11 ILE 43 3HD1 ILE 43 4.433 -10.026 -1.428 320 HD12 ILE 43 1HD1 ILE 43 4.373 -11.349 -0.261 321 HD13 ILE 43 2HD1 ILE 43 3.206 -10.029 -0.161 322 HA PRO 44 HA PRO 44 1.750 -9.047 -7.787 323 HB2 PRO 44 2HB PRO 44 -0.677 -10.061 -8.458 324 HB3 PRO 44 1HB PRO 44 0.847 -10.851 -8.877 325 HG2 PRO 44 2HG PRO 44 -1.053 -11.455 -6.650 326 HG3 PRO 44 1HG PRO 44 -0.168 -12.572 -7.703 327 HD2 PRO 44 2HD PRO 44 0.625 -11.982 -5.168 328 HD3 PRO 44 1HD PRO 44 1.760 -12.417 -6.456 329 HA PRO 45 HA PRO 45 -0.837 -5.832 -6.250 330 HB2 PRO 45 2HB PRO 45 -2.186 -5.009 -8.475 331 HB3 PRO 45 1HB PRO 45 -0.487 -4.633 -8.168 332 HG2 PRO 45 2HG PRO 45 -1.672 -6.777 -9.890 333 HG3 PRO 45 1HG PRO 45 -0.301 -5.703 -10.224 334 HD2 PRO 45 2HD PRO 45 0.046 -8.254 -9.432 335 HD3 PRO 45 1HD PRO 45 1.156 -6.959 -8.940 336 H TYR 46 H TYR 46 -2.354 -8.487 -7.924 337 HA TYR 46 HA TYR 46 -5.001 -7.717 -6.970 338 HB2 TYR 46 2HB TYR 46 -5.851 -9.545 -8.302 339 HB3 TYR 46 1HB TYR 46 -4.726 -8.602 -9.272 340 HD1 TYR 46 1HD TYR 46 -2.527 -9.522 -9.867 341 HD2 TYR 46 2HD TYR 46 -5.373 -11.825 -7.698 342 HE1 TYR 46 1HE TYR 46 -1.263 -11.565 -10.387 343 HE2 TYR 46 2HE TYR 46 -4.114 -13.874 -8.211 344 HH TYR 46 HH TYR 46 -0.966 -13.812 -9.548 345 H LEU 47 H LEU 47 -2.525 -8.960 -5.422 346 HA LEU 47 HA LEU 47 -4.215 -10.722 -3.786 347 HB2 LEU 47 2HB LEU 47 -1.408 -11.273 -4.726 348 HB3 LEU 47 1HB LEU 47 -2.149 -12.122 -3.384 349 HG LEU 47 HG LEU 47 -3.142 -12.137 -6.233 350 HD11 LEU 47 1HD1 LEU 47 -2.059 -14.086 -6.568 351 HD12 LEU 47 2HD1 LEU 47 -2.249 -14.605 -4.893 352 HD13 LEU 47 3HD1 LEU 47 -0.983 -13.452 -5.321 353 HD21 LEU 47 3HD2 LEU 47 -4.373 -12.894 -3.706 354 HD22 LEU 47 1HD2 LEU 47 -4.326 -14.215 -4.872 355 HD23 LEU 47 2HD2 LEU 47 -5.094 -12.688 -5.303 356 H GLN 48 H GLN 48 -2.562 -7.924 -3.837 357 HA GLN 48 HA GLN 48 -1.542 -8.222 -1.098 358 HB2 GLN 48 2HB GLN 48 -0.861 -6.223 -3.253 359 HB3 GLN 48 1HB GLN 48 -0.292 -6.100 -1.594 360 HG2 GLN 48 2HG GLN 48 0.936 -8.143 -1.796 361 HG3 GLN 48 1HG GLN 48 0.243 -8.452 -3.387 362 HE21 GLN 48 1HE2 GLN 48 0.483 -6.145 -4.694 363 HE22 GLN 48 2HE2 GLN 48 2.140 -5.675 -4.836 364 H CYS 49 H CYS 49 -2.942 -7.580 0.382 365 HA CYS 49 HA CYS 49 -4.735 -5.332 -0.213 366 HB2 CYS 49 2HB CYS 49 -5.881 -7.324 0.568 367 HB3 CYS 49 1HB CYS 49 -4.825 -7.430 1.970 368 HG CYS 49 HG CYS 49 -7.235 -5.554 1.672 369 H ILE 50 H ILE 50 -3.878 -3.444 0.322 370 HA ILE 50 HA ILE 50 -1.870 -3.194 2.371 371 HB ILE 50 HB ILE 50 -3.220 -0.999 0.805 372 HG12 ILE 50 2HG1 ILE 50 -0.501 -1.921 0.082 373 HG13 ILE 50 1HG1 ILE 50 -1.817 -3.018 -0.325 374 HG21 ILE 50 1HG2 ILE 50 -0.872 -1.123 2.636 375 HG22 ILE 50 2HG2 ILE 50 -2.131 0.104 2.497 376 HG23 ILE 50 3HG2 ILE 50 -0.851 0.015 1.287 377 HD11 ILE 50 3HD1 ILE 50 -1.848 -0.124 -1.106 378 HD12 ILE 50 1HD1 ILE 50 -2.823 -1.446 -1.746 379 HD13 ILE 50 2HD1 ILE 50 -1.097 -1.369 -2.102 380 H ARG 51 H ARG 51 -1.950 -1.878 4.186 381 HA ARG 51 HA ARG 51 -4.541 -0.922 5.117 382 HB2 ARG 51 2HB ARG 51 -2.778 -2.670 6.837 383 HB3 ARG 51 1HB ARG 51 -4.367 -2.038 7.241 384 HG2 ARG 51 2HG ARG 51 -5.241 -3.404 5.285 385 HG3 ARG 51 1HG ARG 51 -3.667 -4.203 5.289 386 HD2 ARG 51 2HD ARG 51 -4.196 -4.439 7.864 387 HD3 ARG 51 1HD ARG 51 -5.855 -4.292 7.295 388 HE ARG 51 HE ARG 51 -4.844 -6.204 5.688 389 HH11 ARG 51 1HH1 ARG 51 -4.849 -5.785 9.155 390 HH12 ARG 51 2HH1 ARG 51 -4.835 -7.485 9.486 391 HH21 ARG 51 1HH2 ARG 51 -4.823 -8.439 6.127 392 HH22 ARG 51 2HH2 ARG 51 -4.819 -8.991 7.767 393 H TYR 52 H TYR 52 -4.379 0.767 6.645 394 HA TYR 52 HA TYR 52 -1.687 1.608 7.405 395 HB2 TYR 52 2HB TYR 52 -1.987 3.862 6.594 396 HB3 TYR 52 1HB TYR 52 -2.230 2.738 5.261 397 HD1 TYR 52 1HD TYR 52 -3.850 5.140 7.504 398 HD2 TYR 52 2HD TYR 52 -4.419 2.451 4.257 399 HE1 TYR 52 1HE TYR 52 -6.036 6.168 7.044 400 HE2 TYR 52 2HE TYR 52 -6.606 3.472 3.787 401 HH TYR 52 HH TYR 52 -7.733 5.682 4.197 402 H GLY 53 H GLY 53 -1.558 2.724 9.307 403 HA2 GLY 53 2HA GLY 53 -2.328 3.872 11.191 404 HA3 GLY 53 1HA GLY 53 -3.971 3.716 10.588 405 H PHE 54 H PHE 54 -3.544 3.309 13.224 406 HA PHE 54 HA PHE 54 -3.861 0.396 13.480 407 HB2 PHE 54 2HB PHE 54 -2.004 2.167 14.857 408 HB3 PHE 54 1HB PHE 54 -3.005 1.248 15.979 409 HD1 PHE 54 1HD PHE 54 -1.259 0.563 12.748 410 HD2 PHE 54 2HD PHE 54 -2.014 -0.662 16.753 411 HE1 PHE 54 1HE PHE 54 0.176 -1.406 12.411 412 HE2 PHE 54 2HE PHE 54 -0.578 -2.633 16.424 413 HZ PHE 54 HZ PHE 54 0.518 -3.008 14.251 414 HA PRO 55 HA PRO 55 -5.185 -1.164 14.311 415 HB2 PRO 55 2HB PRO 55 -7.671 -1.694 13.255 416 HB3 PRO 55 1HB PRO 55 -7.227 -1.963 14.944 417 HG2 PRO 55 2HG PRO 55 -8.687 0.338 13.711 418 HG3 PRO 55 1HG PRO 55 -9.013 -0.509 15.235 419 HD2 PRO 55 2HD PRO 55 -7.775 1.868 15.195 420 HD3 PRO 55 1HD PRO 55 -7.323 0.609 16.363 421 HA PRO 56 HA PRO 56 -4.402 -0.521 10.032 422 HB2 PRO 56 2HB PRO 56 -4.731 -2.994 8.973 423 HB3 PRO 56 1HB PRO 56 -3.353 -2.559 9.988 424 HG2 PRO 56 2HG PRO 56 -5.858 -4.020 10.718 425 HG3 PRO 56 1HG PRO 56 -4.184 -4.359 11.196 426 HD2 PRO 56 2HD PRO 56 -5.943 -3.082 12.811 427 HD3 PRO 56 1HD PRO 56 -4.201 -2.754 12.846 428 H LYS 57 H LYS 57 -5.375 0.016 8.200 429 HA LYS 57 HA LYS 57 -8.277 -0.350 8.032 430 HB2 LYS 57 2HB LYS 57 -6.417 1.626 6.705 431 HB3 LYS 57 1HB LYS 57 -8.134 1.510 6.343 432 HG2 LYS 57 2HG LYS 57 -7.671 1.736 9.186 433 HG3 LYS 57 1HG LYS 57 -6.937 3.072 8.297 434 HD2 LYS 57 2HD LYS 57 -9.762 2.199 7.784 435 HD3 LYS 57 1HD LYS 57 -9.365 3.341 9.070 436 HE2 LYS 57 2HE LYS 57 -8.405 4.872 7.480 437 HE3 LYS 57 1HE LYS 57 -8.607 3.704 6.175 438 HZ1 LYS 57 3HZ LYS 57 -10.949 3.923 6.293 439 HZ2 LYS 57 1HZ LYS 57 -10.323 5.495 6.273 440 HZ3 LYS 57 2HZ LYS 57 -10.876 4.822 7.723 441 H GLU 58 H GLU 58 -9.030 -0.266 5.602 442 HA GLU 58 HA GLU 58 -7.434 -2.241 4.110 443 HB2 GLU 58 2HB GLU 58 -9.712 -2.956 5.129 444 HB3 GLU 58 1HB GLU 58 -10.416 -1.996 3.835 445 HG2 GLU 58 2HG GLU 58 -9.273 -3.362 2.179 446 HG3 GLU 58 1HG GLU 58 -8.527 -4.310 3.463 447 H LEU 59 H LEU 59 -6.437 -0.266 3.224 448 HA LEU 59 HA LEU 59 -7.597 1.752 1.818 449 HB2 LEU 59 2HB LEU 59 -5.138 1.346 2.247 450 HB3 LEU 59 1HB LEU 59 -5.149 0.291 0.847 451 HG LEU 59 HG LEU 59 -5.646 2.114 -0.625 452 HD11 LEU 59 1HD1 LEU 59 -6.019 3.721 1.891 453 HD12 LEU 59 2HD1 LEU 59 -7.210 3.384 0.634 454 HD13 LEU 59 3HD1 LEU 59 -5.840 4.441 0.292 455 HD21 LEU 59 3HD2 LEU 59 -3.610 3.155 -0.581 456 HD22 LEU 59 1HD2 LEU 59 -3.288 1.796 0.498 457 HD23 LEU 59 2HD2 LEU 59 -3.642 3.389 1.167 458 H MET 60 H MET 60 -9.484 1.037 0.819 459 HA MET 60 HA MET 60 -9.540 -0.985 -1.175 460 HB2 MET 60 2HB MET 60 -11.800 -0.350 -1.537 461 HB3 MET 60 1HB MET 60 -11.504 -0.128 0.178 462 HG2 MET 60 2HG MET 60 -12.234 1.944 0.013 463 HG3 MET 60 1HG MET 60 -10.884 2.319 -1.054 464 HE1 MET 60 3HE MET 60 -15.108 1.775 -1.416 465 HE2 MET 60 1HE MET 60 -14.700 3.434 -1.857 466 HE3 MET 60 2HE MET 60 -14.071 2.737 -0.363 467 HA PRO 61 HA PRO 61 -8.266 1.238 -4.764 468 HB2 PRO 61 2HB PRO 61 -9.855 0.292 -6.722 469 HB3 PRO 61 1HB PRO 61 -8.637 -0.714 -5.931 470 HG2 PRO 61 2HG PRO 61 -11.589 -0.608 -5.487 471 HG3 PRO 61 1HG PRO 61 -10.511 -2.014 -5.534 472 HD2 PRO 61 2HD PRO 61 -11.424 -0.846 -3.226 473 HD3 PRO 61 1HD PRO 61 -9.922 -1.782 -3.336 474 HA PRO 62 HA PRO 62 -10.767 4.870 -5.178 475 HB2 PRO 62 2HB PRO 62 -9.536 5.984 -7.323 476 HB3 PRO 62 1HB PRO 62 -8.835 5.988 -5.704 477 HG2 PRO 62 2HG PRO 62 -8.257 4.182 -8.019 478 HG3 PRO 62 1HG PRO 62 -7.127 4.945 -6.884 479 HD2 PRO 62 2HD PRO 62 -7.888 2.359 -6.661 480 HD3 PRO 62 1HD PRO 62 -7.505 3.365 -5.251 481 H GLN 63 H GLN 63 -11.588 6.198 -7.290 482 HA GLN 63 HA GLN 63 -12.751 4.317 -9.206 483 HB2 GLN 63 2HB GLN 63 -14.185 5.627 -7.072 484 HB3 GLN 63 1HB GLN 63 -14.802 6.155 -8.631 485 HG2 GLN 63 2HG GLN 63 -15.876 4.244 -8.933 486 HG3 GLN 63 1HG GLN 63 -14.419 3.304 -8.605 487 HE21 GLN 63 1HE2 GLN 63 -13.834 3.522 -6.116 488 HE22 GLN 63 2HE2 GLN 63 -15.141 3.111 -5.063 489 H ALA 64 H ALA 64 -14.404 6.023 -10.569 490 HA ALA 64 HA ALA 64 -12.672 7.375 -12.274 491 HB1 ALA 64 1HB ALA 64 -14.769 8.521 -13.102 492 HB2 ALA 64 2HB ALA 64 -15.635 7.650 -11.836 493 HB3 ALA 64 3HB ALA 64 -14.795 6.758 -13.104 494 H GLY 65 H GLY 65 -11.285 8.777 -11.234 495 HA2 GLY 65 2HA GLY 65 -11.305 11.314 -11.125 496 HA3 GLY 65 1HA GLY 65 -12.528 11.089 -9.885 497 H MET 66 H MET 66 -11.121 8.681 -8.851 498 HA MET 66 HA MET 66 -9.061 10.121 -7.331 499 HB2 MET 66 2HB MET 66 -11.023 8.011 -6.657 500 HB3 MET 66 1HB MET 66 -9.442 7.862 -5.899 501 HG2 MET 66 2HG MET 66 -9.986 10.489 -5.486 502 HG3 MET 66 1HG MET 66 -11.599 9.781 -5.413 503 HE1 MET 66 3HE MET 66 -8.009 9.598 -4.292 504 HE2 MET 66 1HE MET 66 -8.069 9.074 -2.610 505 HE3 MET 66 2HE MET 66 -8.620 10.690 -3.050 506 H GLU 67 H GLU 67 -9.555 7.538 -9.547 507 HA GLU 67 HA GLU 67 -7.449 5.825 -8.991 508 HB2 GLU 67 2HB GLU 67 -7.509 5.231 -11.383 509 HB3 GLU 67 1HB GLU 67 -9.120 5.320 -10.684 510 HG2 GLU 67 2HG GLU 67 -9.743 7.005 -12.016 511 HG3 GLU 67 1HG GLU 67 -8.186 7.819 -11.884 512 H LYS 68 H LYS 68 -7.418 9.001 -10.417 513 HA LYS 68 HA LYS 68 -4.658 8.785 -11.281 514 HB2 LYS 68 2HB LYS 68 -6.174 11.368 -11.158 515 HB3 LYS 68 1HB LYS 68 -4.930 10.867 -12.294 516 HG2 LYS 68 2HG LYS 68 -6.608 10.507 -13.712 517 HG3 LYS 68 1HG LYS 68 -6.922 9.050 -12.770 518 HD2 LYS 68 2HD LYS 68 -8.954 10.393 -13.108 519 HD3 LYS 68 1HD LYS 68 -8.532 10.252 -11.402 520 HE2 LYS 68 2HE LYS 68 -7.330 12.570 -12.703 521 HE3 LYS 68 1HE LYS 68 -9.093 12.589 -12.738 522 HZ1 LYS 68 3HZ LYS 68 -7.878 11.885 -10.194 523 HZ2 LYS 68 1HZ LYS 68 -9.221 12.861 -10.521 524 HZ3 LYS 68 2HZ LYS 68 -7.659 13.486 -10.692 525 H GLU 69 H GLU 69 -6.390 9.726 -8.477 526 HA GLU 69 HA GLU 69 -4.423 11.527 -7.433 527 HB2 GLU 69 2HB GLU 69 -7.030 10.513 -6.639 528 HB3 GLU 69 1HB GLU 69 -5.920 10.594 -5.279 529 HG2 GLU 69 2HG GLU 69 -5.438 12.974 -6.002 530 HG3 GLU 69 1HG GLU 69 -6.834 12.821 -7.067 531 HA PRO 70 HA PRO 70 -1.629 8.569 -5.728 532 HB2 PRO 70 2HB PRO 70 -0.496 10.024 -3.754 533 HB3 PRO 70 1HB PRO 70 -0.186 10.342 -5.464 534 HG2 PRO 70 2HG PRO 70 -2.039 11.746 -3.581 535 HG3 PRO 70 1HG PRO 70 -0.951 12.433 -4.801 536 HD2 PRO 70 2HD PRO 70 -3.627 12.107 -5.201 537 HD3 PRO 70 1HD PRO 70 -2.435 12.062 -6.514 538 H VAL 71 H VAL 71 -0.982 7.529 -3.669 539 HA VAL 71 HA VAL 71 -3.242 6.589 -2.264 540 HB VAL 71 HB VAL 71 -1.454 5.562 -0.722 541 HG11 VAL 71 1HG1 VAL 71 -2.569 4.281 -2.428 542 HG12 VAL 71 2HG1 VAL 71 -0.851 3.888 -2.441 543 HG13 VAL 71 3HG1 VAL 71 -1.519 4.958 -3.673 544 HG21 VAL 71 3HG2 VAL 71 0.192 7.391 -1.866 545 HG22 VAL 71 1HG2 VAL 71 0.544 5.958 -2.832 546 HG23 VAL 71 2HG2 VAL 71 0.735 5.909 -1.080 547 HA PRO 72 HA PRO 72 -3.530 9.308 1.214 548 HB2 PRO 72 2HB PRO 72 -4.169 7.670 3.244 549 HB3 PRO 72 1HB PRO 72 -5.273 7.943 1.893 550 HG2 PRO 72 2HG PRO 72 -3.377 5.663 2.346 551 HG3 PRO 72 1HG PRO 72 -5.080 5.611 1.855 552 HD2 PRO 72 2HD PRO 72 -3.056 5.387 0.081 553 HD3 PRO 72 1HD PRO 72 -4.598 6.162 -0.333 554 H LEU 73 H LEU 73 -0.948 7.254 0.923 555 HA LEU 73 HA LEU 73 0.189 7.915 3.539 556 HB2 LEU 73 2HB LEU 73 1.609 6.154 1.612 557 HB3 LEU 73 1HB LEU 73 1.519 6.058 3.361 558 HG LEU 73 HG LEU 73 -0.831 5.404 1.593 559 HD11 LEU 73 1HD1 LEU 73 1.161 3.454 2.720 560 HD12 LEU 73 2HD1 LEU 73 1.097 3.963 1.032 561 HD13 LEU 73 3HD1 LEU 73 -0.260 3.086 1.741 562 HD21 LEU 73 3HD2 LEU 73 -0.310 4.304 4.315 563 HD22 LEU 73 1HD2 LEU 73 -1.841 4.563 3.478 564 HD23 LEU 73 2HD2 LEU 73 -0.956 5.937 4.143 565 H GLN 74 H GLN 74 2.387 8.673 3.672 566 HA GLN 74 HA GLN 74 3.437 9.972 1.271 567 HB2 GLN 74 2HB GLN 74 2.792 11.344 3.876 568 HB3 GLN 74 1HB GLN 74 3.905 12.021 2.697 569 HG2 GLN 74 2HG GLN 74 1.031 11.330 2.130 570 HG3 GLN 74 1HG GLN 74 1.611 12.938 2.562 571 HE21 GLN 74 1HE2 GLN 74 0.460 11.468 0.072 572 HE22 GLN 74 2HE2 GLN 74 1.451 12.068 -1.209 573 H HIS 75 H HIS 75 5.594 11.170 2.028 574 HA HIS 75 HA HIS 75 7.459 9.195 2.597 575 HB2 HIS 75 2HB HIS 75 7.789 11.532 1.562 576 HB3 HIS 75 1HB HIS 75 7.939 12.100 3.221 577 HD1 HIS 75 1HD HIS 75 9.532 9.365 4.042 578 HD2 HIS 75 2HD HIS 75 10.501 12.113 1.079 579 HE1 HIS 75 1HE HIS 75 12.003 9.102 3.664 580 HE2 HIS 75 2HE HIS 75 12.547 10.706 1.798 581 H GLY 76 H GLY 76 7.528 8.035 4.411 582 HA2 GLY 76 2HA GLY 76 8.391 7.970 6.667 583 HA3 GLY 76 1HA GLY 76 7.593 9.506 6.964 584 H ASP 77 H ASP 77 5.624 7.402 5.179 585 HA ASP 77 HA ASP 77 3.982 6.947 7.545 586 HB2 ASP 77 2HB ASP 77 3.481 7.317 4.724 587 HB3 ASP 77 1HB ASP 77 2.697 5.849 5.297 588 H ARG 78 H ARG 78 2.669 4.726 7.251 589 HA ARG 78 HA ARG 78 4.477 2.540 6.570 590 HB2 ARG 78 2HB ARG 78 3.933 1.438 8.789 591 HB3 ARG 78 1HB ARG 78 5.052 2.793 8.856 592 HG2 ARG 78 2HG ARG 78 2.259 3.567 9.199 593 HG3 ARG 78 1HG ARG 78 2.854 2.465 10.442 594 HD2 ARG 78 2HD ARG 78 4.875 4.043 10.585 595 HD3 ARG 78 1HD ARG 78 3.870 5.190 9.700 596 HE ARG 78 HE ARG 78 2.281 4.451 11.754 597 HH11 ARG 78 1HH1 ARG 78 5.565 5.618 11.597 598 HH12 ARG 78 2HH1 ARG 78 5.498 6.388 13.146 599 HH21 ARG 78 1HH2 ARG 78 2.191 5.460 13.795 600 HH22 ARG 78 2HH2 ARG 78 3.583 6.298 14.395 601 H ILE 79 H ILE 79 3.443 0.576 6.165 602 HA ILE 79 HA ILE 79 0.531 0.518 6.370 603 HB ILE 79 HB ILE 79 0.612 -0.452 3.933 604 HG12 ILE 79 2HG1 ILE 79 2.918 1.503 3.885 605 HG13 ILE 79 1HG1 ILE 79 3.078 -0.245 3.747 606 HG21 ILE 79 1HG2 ILE 79 -0.665 1.509 4.741 607 HG22 ILE 79 2HG2 ILE 79 -0.087 1.676 3.084 608 HG23 ILE 79 3HG2 ILE 79 0.740 2.516 4.395 609 HD11 ILE 79 3HD1 ILE 79 1.255 1.055 1.832 610 HD12 ILE 79 1HD1 ILE 79 2.393 -0.271 1.603 611 HD13 ILE 79 2HD1 ILE 79 2.976 1.393 1.645 612 H THR 80 H THR 80 -0.343 -1.627 5.660 613 HA THR 80 HA THR 80 1.579 -3.806 6.063 614 HB THR 80 HB THR 80 -1.112 -3.592 7.423 615 HG1 THR 80 1HG THR 80 1.528 -3.446 8.440 616 HG21 THR 80 3HG2 THR 80 0.968 -5.678 7.957 617 HG22 THR 80 1HG2 THR 80 -0.312 -5.919 6.768 618 HG23 THR 80 2HG2 THR 80 -0.721 -5.643 8.462 619 H ILE 81 H ILE 81 1.372 -5.393 4.626 620 HA ILE 81 HA ILE 81 -0.938 -5.322 2.827 621 HB ILE 81 HB ILE 81 1.630 -6.842 2.415 622 HG12 ILE 81 2HG1 ILE 81 2.195 -4.496 2.627 623 HG13 ILE 81 1HG1 ILE 81 2.290 -4.957 0.931 624 HG21 ILE 81 1HG2 ILE 81 -0.706 -6.128 0.675 625 HG22 ILE 81 2HG2 ILE 81 -0.002 -7.714 0.990 626 HG23 ILE 81 3HG2 ILE 81 0.863 -6.548 -0.011 627 HD11 ILE 81 3HD1 ILE 81 -0.334 -4.032 1.418 628 HD12 ILE 81 1HD1 ILE 81 0.925 -3.301 0.424 629 HD13 ILE 81 2HD1 ILE 81 0.790 -2.873 2.129 630 H GLU 82 H GLU 82 -1.858 -7.341 2.087 631 HA GLU 82 HA GLU 82 -1.443 -9.633 3.859 632 HB2 GLU 82 2HB GLU 82 -3.298 -8.827 4.968 633 HB3 GLU 82 1HB GLU 82 -3.980 -8.094 3.527 634 HG2 GLU 82 2HG GLU 82 -4.628 -10.292 2.699 635 HG3 GLU 82 1HG GLU 82 -3.912 -11.047 4.121 636 H ILE 83 H ILE 83 -1.021 -11.325 2.628 637 HA ILE 83 HA ILE 83 -1.441 -11.382 -0.160 638 HB ILE 83 HB ILE 83 -0.839 -13.668 1.722 639 HG12 ILE 83 2HG1 ILE 83 1.403 -13.113 0.181 640 HG13 ILE 83 1HG1 ILE 83 0.765 -11.518 0.566 641 HG21 ILE 83 1HG2 ILE 83 -1.268 -13.545 -1.188 642 HG22 ILE 83 2HG2 ILE 83 -1.428 -14.901 -0.072 643 HG23 ILE 83 3HG2 ILE 83 0.164 -14.434 -0.668 644 HD11 ILE 83 3HD1 ILE 83 1.919 -13.587 2.347 645 HD12 ILE 83 1HD1 ILE 83 0.658 -12.539 2.994 646 HD13 ILE 83 2HD1 ILE 83 2.138 -11.838 2.345 647 H LEU 84 H LEU 84 -3.400 -11.415 -1.030 648 HA LEU 84 HA LEU 84 -5.657 -12.599 0.266 649 HB2 LEU 84 2HB LEU 84 -5.465 -11.671 -2.593 650 HB3 LEU 84 1HB LEU 84 -6.921 -11.865 -1.636 651 HG LEU 84 HG LEU 84 -4.784 -9.764 -1.309 652 HD11 LEU 84 1HD1 LEU 84 -7.103 -8.443 -1.442 653 HD12 LEU 84 2HD1 LEU 84 -7.522 -9.857 -2.408 654 HD13 LEU 84 3HD1 LEU 84 -6.145 -8.854 -2.865 655 HD21 LEU 84 3HD2 LEU 84 -6.778 -9.094 0.435 656 HD22 LEU 84 1HD2 LEU 84 -5.249 -9.849 0.879 657 HD23 LEU 84 2HD2 LEU 84 -6.684 -10.843 0.635 658 H LYS 85 H LYS 85 -7.121 -14.084 -1.100 659 HA LYS 85 HA LYS 85 -5.518 -16.404 -1.835 660 HB2 LYS 85 2HB LYS 85 -8.110 -15.979 -0.614 661 HB3 LYS 85 1HB LYS 85 -8.233 -17.087 -1.973 662 HG2 LYS 85 2HG LYS 85 -6.028 -17.553 -0.058 663 HG3 LYS 85 1HG LYS 85 -7.670 -17.889 0.499 664 HD2 LYS 85 2HD LYS 85 -7.563 -19.851 -0.544 665 HD3 LYS 85 1HD LYS 85 -7.491 -18.984 -2.080 666 HE2 LYS 85 2HE LYS 85 -5.516 -20.011 -2.337 667 HE3 LYS 85 1HE LYS 85 -4.914 -18.791 -1.215 668 HZ1 LYS 85 3HZ LYS 85 -4.257 -21.006 -0.531 669 HZ2 LYS 85 1HZ LYS 85 -5.873 -21.505 -0.478 670 HZ3 LYS 85 2HZ LYS 85 -5.313 -20.334 0.608 671 H GLY 86 H GLY 86 -4.842 -16.106 -3.894 672 HA2 GLY 86 2HA GLY 86 -6.597 -15.117 -5.954 673 HA3 GLY 86 1HA GLY 86 -4.951 -15.695 -6.172 Start of MODEL 20 1 H1 LYS 6 H LYS 6 10.950 14.281 -7.580 2 HA LYS 6 HA LYS 6 11.986 12.462 -6.691 3 HB2 LYS 6 2HB LYS 6 12.032 14.533 -4.778 4 HB3 LYS 6 1HB LYS 6 11.696 13.053 -3.890 5 HG2 LYS 6 2HG LYS 6 14.005 13.183 -3.864 6 HG3 LYS 6 1HG LYS 6 13.682 12.069 -5.195 7 HD2 LYS 6 2HD LYS 6 13.680 14.354 -6.568 8 HD3 LYS 6 1HD LYS 6 14.737 14.842 -5.242 9 HE2 LYS 6 2HE LYS 6 15.316 12.210 -6.430 10 HE3 LYS 6 1HE LYS 6 15.588 13.596 -7.486 11 HZ1 LYS 6 3HZ LYS 6 17.578 13.590 -6.461 12 HZ2 LYS 6 1HZ LYS 6 17.009 12.788 -5.084 13 HZ3 LYS 6 2HZ LYS 6 16.755 14.451 -5.261 14 H GLU 7 H GLU 7 11.781 10.677 -4.926 15 HA GLU 7 HA GLU 7 8.957 9.886 -4.837 16 HB2 GLU 7 2HB GLU 7 11.506 8.408 -5.223 17 HB3 GLU 7 1HB GLU 7 10.238 7.587 -4.324 18 HG2 GLU 7 2HG GLU 7 9.455 6.934 -6.291 19 HG3 GLU 7 1HG GLU 7 8.904 8.593 -6.501 20 H LYS 8 H LYS 8 8.132 8.904 -2.955 21 HA LYS 8 HA LYS 8 9.486 9.761 -0.513 22 HB2 LYS 8 2HB LYS 8 7.379 9.659 0.570 23 HB3 LYS 8 1HB LYS 8 7.083 10.413 -0.986 24 HG2 LYS 8 2HG LYS 8 6.739 7.619 -1.301 25 HG3 LYS 8 1HG LYS 8 5.866 8.114 0.146 26 HD2 LYS 8 2HD LYS 8 5.157 10.097 -1.537 27 HD3 LYS 8 1HD LYS 8 5.371 8.773 -2.684 28 HE2 LYS 8 2HE LYS 8 3.700 7.493 -1.714 29 HE3 LYS 8 1HE LYS 8 3.793 8.355 -0.181 30 HZ1 LYS 8 3HZ LYS 8 2.876 10.321 -1.366 31 HZ2 LYS 8 1HZ LYS 8 1.807 9.011 -1.278 32 HZ3 LYS 8 2HZ LYS 8 2.624 9.342 -2.722 33 H LYS 9 H LYS 9 9.788 8.331 1.238 34 HA LYS 9 HA LYS 9 9.881 5.514 0.416 35 HB2 LYS 9 2HB LYS 9 12.078 6.372 0.902 36 HB3 LYS 9 1HB LYS 9 11.535 7.019 2.443 37 HG2 LYS 9 2HG LYS 9 11.050 4.167 2.217 38 HG3 LYS 9 1HG LYS 9 12.754 4.581 2.024 39 HD2 LYS 9 2HD LYS 9 11.374 5.962 4.224 40 HD3 LYS 9 1HD LYS 9 11.519 4.214 4.414 41 HE2 LYS 9 2HE LYS 9 13.933 4.379 4.047 42 HE3 LYS 9 1HE LYS 9 13.786 6.125 3.858 43 HZ1 LYS 9 3HZ LYS 9 12.798 6.095 6.171 44 HZ2 LYS 9 1HZ LYS 9 14.458 5.785 6.059 45 HZ3 LYS 9 2HZ LYS 9 13.372 4.510 6.302 46 H ILE 10 H ILE 10 8.774 4.024 1.490 47 HA ILE 10 HA ILE 10 7.678 4.679 4.126 48 HB ILE 10 HB ILE 10 5.790 3.150 2.519 49 HG12 ILE 10 2HG1 ILE 10 6.521 5.950 1.638 50 HG13 ILE 10 1HG1 ILE 10 6.524 4.489 0.659 51 HG21 ILE 10 1HG2 ILE 10 5.775 5.480 4.379 52 HG22 ILE 10 2HG2 ILE 10 4.958 3.924 4.516 53 HG23 ILE 10 3HG2 ILE 10 4.346 5.144 3.402 54 HD11 ILE 10 3HD1 ILE 10 4.622 5.831 0.091 55 HD12 ILE 10 1HD1 ILE 10 4.118 5.904 1.779 56 HD13 ILE 10 2HD1 ILE 10 4.069 4.371 0.909 57 H ARG 11 H ARG 11 6.815 2.725 5.248 58 HA ARG 11 HA ARG 11 8.520 0.427 4.601 59 HB2 ARG 11 2HB ARG 11 8.793 1.320 6.856 60 HB3 ARG 11 1HB ARG 11 7.072 1.124 7.164 61 HG2 ARG 11 2HG ARG 11 7.277 -1.279 7.010 62 HG3 ARG 11 1HG ARG 11 8.980 -1.134 6.578 63 HD2 ARG 11 2HD ARG 11 7.744 -0.255 9.184 64 HD3 ARG 11 1HD ARG 11 8.678 -1.729 8.937 65 HE ARG 11 HE ARG 11 10.082 0.668 8.196 66 HH11 ARG 11 1HH1 ARG 11 9.296 -1.490 10.824 67 HH12 ARG 11 2HH1 ARG 11 10.684 -1.054 11.762 68 HH21 ARG 11 1HH2 ARG 11 11.908 1.243 9.428 69 HH22 ARG 11 2HH2 ARG 11 12.167 0.497 10.971 70 H ILE 12 H ILE 12 7.635 -1.734 4.900 71 HA ILE 12 HA ILE 12 4.730 -1.911 4.595 72 HB ILE 12 HB ILE 12 6.642 -3.377 2.775 73 HG12 ILE 12 2HG1 ILE 12 4.698 -1.311 1.807 74 HG13 ILE 12 1HG1 ILE 12 6.250 -0.792 2.452 75 HG21 ILE 12 1HG2 ILE 12 4.362 -3.754 1.579 76 HG22 ILE 12 2HG2 ILE 12 3.685 -3.381 3.164 77 HG23 ILE 12 3HG2 ILE 12 4.794 -4.739 2.978 78 HD11 ILE 12 3HD1 ILE 12 5.848 -2.687 0.144 79 HD12 ILE 12 1HD1 ILE 12 7.402 -2.155 0.786 80 HD13 ILE 12 2HD1 ILE 12 6.316 -0.992 0.028 81 H THR 13 H THR 13 3.850 -3.918 5.184 82 HA THR 13 HA THR 13 5.607 -5.997 6.181 83 HB THR 13 HB THR 13 3.563 -5.023 8.126 84 HG1 THR 13 1HG THR 13 4.694 -3.154 7.772 85 HG21 THR 13 3HG2 THR 13 4.936 -7.131 8.390 86 HG22 THR 13 1HG2 THR 13 4.922 -6.000 9.741 87 HG23 THR 13 2HG2 THR 13 6.311 -6.063 8.661 88 H THR 14 H THR 14 4.751 -7.909 5.575 89 HA THR 14 HA THR 14 1.919 -7.946 4.887 90 HB THR 14 HB THR 14 2.402 -9.712 3.452 91 HG1 THR 14 1HG THR 14 3.481 -11.118 4.749 92 HG21 THR 14 3HG2 THR 14 3.547 -8.373 2.101 93 HG22 THR 14 1HG2 THR 14 5.021 -9.005 2.830 94 HG23 THR 14 2HG2 THR 14 4.288 -7.533 3.460 95 H ASN 15 H ASN 15 0.490 -9.432 5.634 96 HA ASN 15 HA ASN 15 0.492 -10.154 8.269 97 HB2 ASN 15 2HB ASN 15 -1.238 -11.917 7.540 98 HB3 ASN 15 1HB ASN 15 -1.582 -10.228 7.184 99 HD21 ASN 15 1HD2 ASN 15 -2.816 -12.315 5.854 100 HD22 ASN 15 2HD2 ASN 15 -2.304 -12.313 4.204 101 H ASP 16 H ASP 16 1.813 -12.004 5.549 102 HA ASP 16 HA ASP 16 2.117 -14.457 6.880 103 HB2 ASP 16 2HB ASP 16 2.549 -13.799 4.388 104 HB3 ASP 16 1HB ASP 16 4.190 -13.489 4.949 105 H GLY 17 H GLY 17 3.768 -11.463 7.255 106 HA2 GLY 17 2HA GLY 17 4.960 -11.188 9.375 107 HA3 GLY 17 1HA GLY 17 5.662 -12.774 9.099 108 H ARG 18 H ARG 18 5.314 -10.471 6.481 109 HA ARG 18 HA ARG 18 8.254 -10.274 6.411 110 HB2 ARG 18 2HB ARG 18 6.456 -9.483 4.144 111 HB3 ARG 18 1HB ARG 18 8.140 -9.985 4.095 112 HG2 ARG 18 2HG ARG 18 7.438 -12.255 4.711 113 HG3 ARG 18 1HG ARG 18 5.760 -11.731 4.640 114 HD2 ARG 18 2HD ARG 18 7.666 -11.472 2.329 115 HD3 ARG 18 1HD ARG 18 6.634 -12.883 2.574 116 HE ARG 18 HE ARG 18 5.828 -10.295 1.647 117 HH11 ARG 18 1HH1 ARG 18 4.781 -13.198 3.227 118 HH12 ARG 18 2HH1 ARG 18 3.118 -12.956 2.835 119 HH21 ARG 18 1HH2 ARG 18 3.642 -9.962 1.143 120 HH22 ARG 18 2HH2 ARG 18 2.467 -11.128 1.644 121 H GLN 19 H GLN 19 8.985 -8.204 5.241 122 HA GLN 19 HA GLN 19 7.462 -5.868 5.487 123 HB2 GLN 19 2HB GLN 19 9.192 -4.899 7.277 124 HB3 GLN 19 1HB GLN 19 7.652 -5.602 7.731 125 HG2 GLN 19 2HG GLN 19 9.074 -6.619 9.201 126 HG3 GLN 19 1HG GLN 19 9.018 -7.809 7.904 127 HE21 GLN 19 1HE2 GLN 19 10.816 -4.858 8.705 128 HE22 GLN 19 2HE2 GLN 19 12.374 -5.492 8.306 129 H SER 20 H SER 20 8.281 -4.367 4.208 130 HA SER 20 HA SER 20 11.133 -4.155 3.763 131 HB2 SER 20 2HB SER 20 9.254 -5.263 1.712 132 HB3 SER 20 1HB SER 20 10.602 -4.256 1.185 133 HG SER 20 HG SER 20 12.014 -5.700 2.204 134 H MET 21 H MET 21 11.732 -2.251 2.623 135 HA MET 21 HA MET 21 9.692 -0.163 2.798 136 HB2 MET 21 2HB MET 21 11.435 1.410 3.026 137 HB3 MET 21 1HB MET 21 11.928 0.035 4.000 138 HG2 MET 21 2HG MET 21 12.877 0.270 1.178 139 HG3 MET 21 1HG MET 21 13.636 1.225 2.449 140 HE1 MET 21 3HE MET 21 13.084 -1.733 0.640 141 HE2 MET 21 1HE MET 21 13.445 -3.132 1.650 142 HE3 MET 21 2HE MET 21 14.740 -2.324 0.767 143 H VAL 22 H VAL 22 9.617 1.493 1.171 144 HA VAL 22 HA VAL 22 10.591 0.713 -1.468 145 HB VAL 22 HB VAL 22 8.293 1.308 -2.391 146 HG11 VAL 22 1HG1 VAL 22 8.295 -1.215 -0.770 147 HG12 VAL 22 2HG1 VAL 22 9.345 -1.002 -2.169 148 HG13 VAL 22 3HG1 VAL 22 7.594 -0.931 -2.363 149 HG21 VAL 22 3HG2 VAL 22 7.443 2.272 -0.279 150 HG22 VAL 22 1HG2 VAL 22 7.432 0.650 0.414 151 HG23 VAL 22 2HG2 VAL 22 6.390 1.030 -0.957 152 H THR 23 H THR 23 9.957 2.479 -3.093 153 HA THR 23 HA THR 23 10.317 5.102 -1.792 154 HB THR 23 HB THR 23 12.252 4.202 -3.164 155 HG1 THR 23 1HG THR 23 12.165 6.389 -2.799 156 HG21 THR 23 3HG2 THR 23 12.141 3.833 -5.371 157 HG22 THR 23 1HG2 THR 23 10.958 5.115 -5.634 158 HG23 THR 23 2HG2 THR 23 10.434 3.544 -5.030 159 H LEU 24 H LEU 24 7.783 4.268 -2.033 160 HA LEU 24 HA LEU 24 6.271 4.534 -4.242 161 HB2 LEU 24 2HB LEU 24 5.818 4.684 -1.494 162 HB3 LEU 24 1HB LEU 24 5.104 6.151 -2.138 163 HG LEU 24 HG LEU 24 3.697 4.853 -3.635 164 HD11 LEU 24 1HD1 LEU 24 4.031 2.713 -4.162 165 HD12 LEU 24 2HD1 LEU 24 4.253 2.243 -2.477 166 HD13 LEU 24 3HD1 LEU 24 5.610 2.893 -3.395 167 HD21 LEU 24 3HD2 LEU 24 3.085 5.287 -1.203 168 HD22 LEU 24 1HD2 LEU 24 3.487 3.593 -0.918 169 HD23 LEU 24 2HD2 LEU 24 2.193 4.015 -2.040 170 H LYS 25 H LYS 25 5.687 6.042 -5.687 171 HA LYS 25 HA LYS 25 7.096 8.530 -5.733 172 HB2 LYS 25 2HB LYS 25 5.789 6.896 -7.613 173 HB3 LYS 25 1HB LYS 25 4.923 8.425 -7.629 174 HG2 LYS 25 2HG LYS 25 7.550 9.217 -7.644 175 HG3 LYS 25 1HG LYS 25 7.569 7.760 -8.640 176 HD2 LYS 25 2HD LYS 25 7.166 9.656 -10.061 177 HD3 LYS 25 1HD LYS 25 5.679 8.711 -9.953 178 HE2 LYS 25 2HE LYS 25 4.561 10.356 -8.900 179 HE3 LYS 25 1HE LYS 25 5.955 10.812 -7.920 180 HZ1 LYS 25 3HZ LYS 25 5.850 12.626 -9.238 181 HZ2 LYS 25 1HZ LYS 25 5.103 11.815 -10.521 182 HZ3 LYS 25 2HZ LYS 25 6.771 11.664 -10.281 183 H SER 26 H SER 26 6.266 10.620 -5.576 184 HA SER 26 HA SER 26 4.405 11.126 -3.596 185 HB2 SER 26 2HB SER 26 6.134 12.702 -4.756 186 HB3 SER 26 1HB SER 26 4.792 13.091 -5.832 187 HG SER 26 HG SER 26 4.555 13.207 -3.017 188 H SER 27 H SER 27 3.931 10.794 -7.062 189 HA SER 27 HA SER 27 1.047 11.234 -6.713 190 HB2 SER 27 2HB SER 27 2.178 10.863 -9.432 191 HB3 SER 27 1HB SER 27 0.947 11.992 -8.866 192 HG SER 27 HG SER 27 2.782 13.073 -7.774 193 H THR 28 H THR 28 2.328 8.823 -5.818 194 HA THR 28 HA THR 28 1.723 6.778 -7.771 195 HB THR 28 HB THR 28 2.807 6.758 -4.965 196 HG1 THR 28 1HG THR 28 3.794 5.829 -7.453 197 HG21 THR 28 3HG2 THR 28 3.108 4.178 -5.811 198 HG22 THR 28 1HG2 THR 28 1.450 4.546 -6.285 199 HG23 THR 28 2HG2 THR 28 1.949 4.738 -4.605 200 H THR 29 H THR 29 -0.291 6.151 -8.115 201 HA THR 29 HA THR 29 -2.342 6.524 -6.105 202 HB THR 29 HB THR 29 -3.028 7.024 -8.325 203 HG1 THR 29 1HG THR 29 -4.657 5.405 -8.681 204 HG21 THR 29 3HG2 THR 29 -2.037 6.097 -10.067 205 HG22 THR 29 1HG2 THR 29 -2.995 4.647 -9.770 206 HG23 THR 29 2HG2 THR 29 -1.382 4.796 -9.073 207 H PHE 30 H PHE 30 -3.975 4.560 -5.980 208 HA PHE 30 HA PHE 30 -2.857 2.583 -4.438 209 HB2 PHE 30 2HB PHE 30 -5.268 2.989 -4.527 210 HB3 PHE 30 1HB PHE 30 -5.329 2.356 -6.169 211 HD1 PHE 30 1HD PHE 30 -4.494 1.409 -2.679 212 HD2 PHE 30 2HD PHE 30 -5.678 0.089 -6.546 213 HE1 PHE 30 1HE PHE 30 -4.867 -0.855 -1.787 214 HE2 PHE 30 2HE PHE 30 -6.057 -2.177 -5.663 215 HZ PHE 30 HZ PHE 30 -5.652 -2.649 -3.280 216 H PHE 31 H PHE 31 -3.510 2.469 -7.925 217 HA PHE 31 HA PHE 31 -2.661 -0.181 -8.336 218 HB2 PHE 31 2HB PHE 31 -2.553 2.113 -10.305 219 HB3 PHE 31 1HB PHE 31 -2.551 0.396 -10.698 220 HD1 PHE 31 1HD PHE 31 -4.592 -0.964 -10.229 221 HD2 PHE 31 2HD PHE 31 -4.561 3.280 -9.929 222 HE1 PHE 31 1HE PHE 31 -7.050 -0.942 -10.342 223 HE2 PHE 31 2HE PHE 31 -7.019 3.310 -10.041 224 HZ PHE 31 HZ PHE 31 -8.266 1.197 -10.247 225 H GLU 32 H GLU 32 -0.932 2.905 -8.524 226 HA GLU 32 HA GLU 32 1.533 1.843 -9.397 227 HB2 GLU 32 2HB GLU 32 0.676 4.399 -8.102 228 HB3 GLU 32 1HB GLU 32 2.392 4.035 -8.223 229 HG2 GLU 32 2HG GLU 32 1.898 3.624 -10.718 230 HG3 GLU 32 1HG GLU 32 0.407 4.510 -10.407 231 H LEU 33 H LEU 33 0.071 2.190 -6.243 232 HA LEU 33 HA LEU 33 2.451 1.657 -4.754 233 HB2 LEU 33 2HB LEU 33 0.772 2.840 -3.604 234 HB3 LEU 33 1HB LEU 33 -0.477 1.708 -4.084 235 HG LEU 33 HG LEU 33 0.327 0.052 -2.540 236 HD11 LEU 33 1HD1 LEU 33 2.486 1.909 -1.608 237 HD12 LEU 33 2HD1 LEU 33 2.770 0.743 -2.900 238 HD13 LEU 33 3HD1 LEU 33 2.293 0.185 -1.297 239 HD21 LEU 33 3HD2 LEU 33 -1.142 1.778 -1.633 240 HD22 LEU 33 1HD2 LEU 33 0.261 2.762 -1.221 241 HD23 LEU 33 2HD2 LEU 33 0.004 1.212 -0.419 242 H GLN 34 H GLN 34 -0.269 -0.279 -5.907 243 HA GLN 34 HA GLN 34 0.394 -2.678 -4.607 244 HB2 GLN 34 2HB GLN 34 -1.050 -2.220 -7.223 245 HB3 GLN 34 1HB GLN 34 -0.981 -3.762 -6.382 246 HG2 GLN 34 2HG GLN 34 -1.898 -1.566 -4.700 247 HG3 GLN 34 1HG GLN 34 -2.929 -1.865 -6.098 248 HE21 GLN 34 1HE2 GLN 34 -1.044 -4.026 -4.016 249 HE22 GLN 34 2HE2 GLN 34 -2.374 -5.027 -3.556 250 H GLU 35 H GLU 35 1.675 -1.147 -7.450 251 HA GLU 35 HA GLU 35 2.958 -3.477 -8.506 252 HB2 GLU 35 2HB GLU 35 2.346 -1.553 -9.920 253 HB3 GLU 35 1HB GLU 35 3.502 -0.553 -9.052 254 HG2 GLU 35 2HG GLU 35 5.122 -1.195 -10.405 255 HG3 GLU 35 1HG GLU 35 4.840 -2.884 -9.988 256 H SER 36 H SER 36 3.768 -1.076 -6.135 257 HA SER 36 HA SER 36 6.594 -1.531 -6.181 258 HB2 SER 36 2HB SER 36 4.829 -0.248 -4.080 259 HB3 SER 36 1HB SER 36 6.593 -0.228 -4.065 260 HG SER 36 HG SER 36 6.050 1.635 -5.047 261 H ILE 37 H ILE 37 4.044 -2.386 -3.839 262 HA ILE 37 HA ILE 37 5.557 -3.948 -2.127 263 HB ILE 37 HB ILE 37 2.683 -4.447 -2.916 264 HG12 ILE 37 2HG1 ILE 37 3.179 -3.029 -0.411 265 HG13 ILE 37 1HG1 ILE 37 3.752 -2.140 -1.818 266 HG21 ILE 37 1HG2 ILE 37 3.900 -6.242 -1.615 267 HG22 ILE 37 2HG2 ILE 37 2.425 -5.612 -0.884 268 HG23 ILE 37 3HG2 ILE 37 3.999 -5.083 -0.291 269 HD11 ILE 37 3HD1 ILE 37 1.580 -2.153 -2.795 270 HD12 ILE 37 1HD1 ILE 37 1.430 -1.602 -1.127 271 HD13 ILE 37 2HD1 ILE 37 0.973 -3.250 -1.555 272 H ALA 38 H ALA 38 3.973 -4.837 -5.153 273 HA ALA 38 HA ALA 38 4.349 -7.599 -5.036 274 HB1 ALA 38 1HB ALA 38 3.594 -5.649 -7.031 275 HB2 ALA 38 2HB ALA 38 3.093 -7.330 -6.853 276 HB3 ALA 38 3HB ALA 38 4.574 -6.940 -7.727 277 H ARG 39 H ARG 39 6.642 -5.083 -5.462 278 HA ARG 39 HA ARG 39 8.608 -6.844 -6.708 279 HB2 ARG 39 2HB ARG 39 9.226 -4.079 -5.733 280 HB3 ARG 39 1HB ARG 39 9.916 -4.955 -7.092 281 HG2 ARG 39 2HG ARG 39 7.409 -4.764 -7.968 282 HG3 ARG 39 1HG ARG 39 7.449 -3.338 -6.928 283 HD2 ARG 39 2HD ARG 39 9.021 -2.277 -8.204 284 HD3 ARG 39 1HD ARG 39 9.724 -3.787 -8.784 285 HE ARG 39 HE ARG 39 7.055 -3.272 -9.743 286 HH11 ARG 39 1HH1 ARG 39 10.464 -2.795 -10.323 287 HH12 ARG 39 2HH1 ARG 39 10.266 -2.545 -12.024 288 HH21 ARG 39 1HH2 ARG 39 6.796 -2.943 -11.982 289 HH22 ARG 39 2HH2 ARG 39 8.187 -2.629 -12.966 290 H GLU 40 H GLU 40 8.186 -4.963 -3.749 291 HA GLU 40 HA GLU 40 10.538 -5.827 -2.470 292 HB2 GLU 40 2HB GLU 40 8.057 -4.412 -1.695 293 HB3 GLU 40 1HB GLU 40 8.934 -5.193 -0.389 294 HG2 GLU 40 2HG GLU 40 9.486 -2.770 -0.836 295 HG3 GLU 40 1HG GLU 40 10.850 -3.881 -0.746 296 H PHE 41 H PHE 41 7.337 -7.232 -2.713 297 HA PHE 41 HA PHE 41 8.272 -9.477 -1.054 298 HB2 PHE 41 2HB PHE 41 5.409 -8.567 -1.363 299 HB3 PHE 41 1HB PHE 41 6.013 -9.820 -0.283 300 HD1 PHE 41 1HD PHE 41 7.284 -9.234 1.719 301 HD2 PHE 41 2HD PHE 41 5.695 -6.242 -0.851 302 HE1 PHE 41 1HE PHE 41 7.640 -7.548 3.470 303 HE2 PHE 41 2HE PHE 41 6.049 -4.549 0.894 304 HZ PHE 41 HZ PHE 41 7.020 -5.203 3.060 305 H ASN 42 H ASN 42 6.322 -11.325 -1.566 306 HA ASN 42 HA ASN 42 6.726 -11.813 -4.444 307 HB2 ASN 42 2HB ASN 42 6.446 -13.778 -2.168 308 HB3 ASN 42 1HB ASN 42 6.551 -14.229 -3.866 309 HD21 ASN 42 1HD2 ASN 42 8.259 -12.480 -1.319 310 HD22 ASN 42 2HD2 ASN 42 9.849 -12.832 -1.898 311 H ILE 43 H ILE 43 4.538 -10.286 -3.910 312 HA ILE 43 HA ILE 43 2.378 -12.156 -4.573 313 HB ILE 43 HB ILE 43 2.028 -9.899 -2.601 314 HG12 ILE 43 2HG1 ILE 43 1.376 -12.083 -1.206 315 HG13 ILE 43 1HG1 ILE 43 2.547 -12.812 -2.302 316 HG21 ILE 43 1HG2 ILE 43 0.075 -10.404 -4.074 317 HG22 ILE 43 2HG2 ILE 43 -0.229 -10.651 -2.355 318 HG23 ILE 43 3HG2 ILE 43 0.063 -12.036 -3.407 319 HD11 ILE 43 3HD1 ILE 43 3.515 -12.078 -0.163 320 HD12 ILE 43 1HD1 ILE 43 3.082 -10.417 -0.573 321 HD13 ILE 43 2HD1 ILE 43 4.250 -11.293 -1.560 322 HA PRO 44 HA PRO 44 1.742 -9.249 -7.866 323 HB2 PRO 44 2HB PRO 44 -0.771 -10.017 -8.592 324 HB3 PRO 44 1HB PRO 44 0.683 -10.927 -9.016 325 HG2 PRO 44 2HG PRO 44 -1.267 -11.398 -6.793 326 HG3 PRO 44 1HG PRO 44 -0.518 -12.572 -7.893 327 HD2 PRO 44 2HD PRO 44 0.374 -12.202 -5.377 328 HD3 PRO 44 1HD PRO 44 1.472 -12.595 -6.715 329 HA PRO 45 HA PRO 45 -0.682 -5.854 -6.433 330 HB2 PRO 45 2HB PRO 45 -1.990 -4.965 -8.637 331 HB3 PRO 45 1HB PRO 45 -0.250 -4.758 -8.402 332 HG2 PRO 45 2HG PRO 45 -1.711 -6.817 -10.011 333 HG3 PRO 45 1HG PRO 45 -0.258 -5.890 -10.434 334 HD2 PRO 45 2HD PRO 45 -0.142 -8.445 -9.561 335 HD3 PRO 45 1HD PRO 45 1.127 -7.259 -9.199 336 H TYR 46 H TYR 46 -2.379 -8.477 -7.949 337 HA TYR 46 HA TYR 46 -4.958 -7.492 -6.993 338 HB2 TYR 46 2HB TYR 46 -5.946 -9.302 -8.277 339 HB3 TYR 46 1HB TYR 46 -4.818 -8.401 -9.285 340 HD1 TYR 46 1HD TYR 46 -2.656 -9.399 -9.919 341 HD2 TYR 46 2HD TYR 46 -5.555 -11.602 -7.718 342 HE1 TYR 46 1HE TYR 46 -1.487 -11.487 -10.483 343 HE2 TYR 46 2HE TYR 46 -4.393 -13.697 -8.274 344 HH TYR 46 HH TYR 46 -1.897 -13.847 -10.630 345 H LEU 47 H LEU 47 -2.565 -8.846 -5.437 346 HA LEU 47 HA LEU 47 -4.348 -10.500 -3.792 347 HB2 LEU 47 2HB LEU 47 -1.603 -11.247 -4.775 348 HB3 LEU 47 1HB LEU 47 -2.356 -12.024 -3.396 349 HG LEU 47 HG LEU 47 -3.409 -12.030 -6.225 350 HD11 LEU 47 1HD1 LEU 47 -2.903 -14.421 -6.149 351 HD12 LEU 47 2HD1 LEU 47 -2.211 -14.224 -4.539 352 HD13 LEU 47 3HD1 LEU 47 -1.449 -13.446 -5.927 353 HD21 LEU 47 3HD2 LEU 47 -4.489 -13.281 -3.703 354 HD22 LEU 47 1HD2 LEU 47 -5.057 -13.650 -5.332 355 HD23 LEU 47 2HD2 LEU 47 -5.252 -12.024 -4.677 356 H GLN 48 H GLN 48 -2.545 -7.809 -3.848 357 HA GLN 48 HA GLN 48 -1.525 -8.164 -1.114 358 HB2 GLN 48 2HB GLN 48 -0.761 -6.159 -3.240 359 HB3 GLN 48 1HB GLN 48 -0.133 -6.157 -1.599 360 HG2 GLN 48 2HG GLN 48 1.019 -8.182 -1.926 361 HG3 GLN 48 1HG GLN 48 0.148 -8.525 -3.419 362 HE21 GLN 48 1HE2 GLN 48 0.346 -6.245 -4.821 363 HE22 GLN 48 2HE2 GLN 48 1.997 -5.873 -5.164 364 H CYS 49 H CYS 49 -2.892 -7.441 0.372 365 HA CYS 49 HA CYS 49 -4.601 -5.137 -0.242 366 HB2 CYS 49 2HB CYS 49 -5.759 -7.131 0.572 367 HB3 CYS 49 1HB CYS 49 -4.748 -7.151 2.012 368 HG CYS 49 HG CYS 49 -6.658 -5.909 2.956 369 H ILE 50 H ILE 50 -3.607 -3.283 0.221 370 HA ILE 50 HA ILE 50 -1.651 -3.052 2.307 371 HB ILE 50 HB ILE 50 -2.932 -0.835 0.711 372 HG12 ILE 50 2HG1 ILE 50 -0.234 -1.700 -0.040 373 HG13 ILE 50 1HG1 ILE 50 -1.460 -2.934 -0.309 374 HG21 ILE 50 1HG2 ILE 50 -1.786 -0.025 2.672 375 HG22 ILE 50 2HG2 ILE 50 -0.841 0.370 1.236 376 HG23 ILE 50 3HG2 ILE 50 -0.356 -0.975 2.270 377 HD11 ILE 50 3HD1 ILE 50 -2.664 -1.547 -1.784 378 HD12 ILE 50 1HD1 ILE 50 -0.968 -1.407 -2.243 379 HD13 ILE 50 2HD1 ILE 50 -1.739 -0.121 -1.315 380 H ARG 51 H ARG 51 -1.737 -1.672 4.107 381 HA ARG 51 HA ARG 51 -4.318 -0.648 4.965 382 HB2 ARG 51 2HB ARG 51 -2.757 -2.638 6.624 383 HB3 ARG 51 1HB ARG 51 -4.217 -1.799 7.129 384 HG2 ARG 51 2HG ARG 51 -5.191 -2.925 4.947 385 HG3 ARG 51 1HG ARG 51 -3.884 -4.071 5.253 386 HD2 ARG 51 2HD ARG 51 -4.720 -4.499 7.473 387 HD3 ARG 51 1HD ARG 51 -5.953 -3.252 7.285 388 HE ARG 51 HE ARG 51 -6.489 -4.941 5.250 389 HH11 ARG 51 1HH1 ARG 51 -6.009 -5.432 8.671 390 HH12 ARG 51 2HH1 ARG 51 -7.060 -6.806 8.750 391 HH21 ARG 51 1HH2 ARG 51 -7.871 -6.748 5.350 392 HH22 ARG 51 2HH2 ARG 51 -8.117 -7.554 6.864 393 H TYR 52 H TYR 52 -4.154 1.034 6.447 394 HA TYR 52 HA TYR 52 -1.504 1.704 7.480 395 HB2 TYR 52 2HB TYR 52 -1.612 3.991 6.639 396 HB3 TYR 52 1HB TYR 52 -1.666 2.843 5.305 397 HD1 TYR 52 1HD TYR 52 -3.815 2.428 4.124 398 HD2 TYR 52 2HD TYR 52 -3.421 5.484 7.058 399 HE1 TYR 52 1HE TYR 52 -5.874 3.484 3.293 400 HE2 TYR 52 2HE TYR 52 -5.481 6.548 6.235 401 HH TYR 52 HH TYR 52 -6.818 6.619 4.172 402 H GLY 53 H GLY 53 -1.576 3.505 9.056 403 HA2 GLY 53 2HA GLY 53 -2.502 4.633 10.839 404 HA3 GLY 53 1HA GLY 53 -4.084 4.364 10.124 405 H PHE 54 H PHE 54 -4.168 4.225 12.704 406 HA PHE 54 HA PHE 54 -4.333 1.355 13.282 407 HB2 PHE 54 2HB PHE 54 -2.440 3.041 14.438 408 HB3 PHE 54 1HB PHE 54 -3.698 2.898 15.661 409 HD1 PHE 54 2HD PHE 54 -1.461 0.907 13.473 410 HD2 PHE 54 1HD PHE 54 -3.850 0.991 16.993 411 HE1 PHE 54 2HE PHE 54 -0.562 -1.286 14.130 412 HE2 PHE 54 1HE PHE 54 -2.956 -1.203 17.657 413 HZ PHE 54 HZ PHE 54 -1.310 -2.345 16.225 414 HA PRO 55 HA PRO 55 -5.619 -0.101 14.057 415 HB2 PRO 55 2HB PRO 55 -8.006 -0.997 13.107 416 HB3 PRO 55 1HB PRO 55 -7.620 -0.915 14.830 417 HG2 PRO 55 2HG PRO 55 -9.191 0.999 13.146 418 HG3 PRO 55 1HG PRO 55 -9.544 0.393 14.775 419 HD2 PRO 55 2HD PRO 55 -8.465 2.829 14.352 420 HD3 PRO 55 1HD PRO 55 -8.058 1.851 15.776 421 HA PRO 56 HA PRO 56 -4.454 0.495 9.816 422 HB2 PRO 56 2HB PRO 56 -4.765 -2.471 9.722 423 HB3 PRO 56 1HB PRO 56 -3.418 -1.463 9.181 424 HG2 PRO 56 2HG PRO 56 -3.257 -2.828 11.459 425 HG3 PRO 56 1HG PRO 56 -2.584 -1.193 11.326 426 HD2 PRO 56 2HD PRO 56 -5.070 -2.113 12.680 427 HD3 PRO 56 1HD PRO 56 -3.966 -0.796 13.116 428 H LYS 57 H LYS 57 -5.638 1.026 8.150 429 HA LYS 57 HA LYS 57 -8.366 0.047 7.910 430 HB2 LYS 57 2HB LYS 57 -6.831 2.214 6.478 431 HB3 LYS 57 1HB LYS 57 -8.474 1.763 6.051 432 HG2 LYS 57 2HG LYS 57 -9.323 2.501 8.123 433 HG3 LYS 57 1HG LYS 57 -7.707 2.630 8.821 434 HD2 LYS 57 2HD LYS 57 -7.908 4.811 8.306 435 HD3 LYS 57 1HD LYS 57 -7.486 4.282 6.677 436 HE2 LYS 57 2HE LYS 57 -9.761 4.234 6.008 437 HE3 LYS 57 1HE LYS 57 -10.323 4.415 7.669 438 HZ1 LYS 57 3HZ LYS 57 -9.939 6.630 7.656 439 HZ2 LYS 57 1HZ LYS 57 -10.185 6.439 5.993 440 HZ3 LYS 57 2HZ LYS 57 -8.613 6.528 6.612 441 H GLU 58 H GLU 58 -9.095 -0.185 5.483 442 HA GLU 58 HA GLU 58 -7.214 -2.067 4.221 443 HB2 GLU 58 2HB GLU 58 -9.563 -2.806 5.134 444 HB3 GLU 58 1HB GLU 58 -10.150 -2.091 3.638 445 HG2 GLU 58 2HG GLU 58 -8.713 -3.574 2.350 446 HG3 GLU 58 1HG GLU 58 -8.093 -4.279 3.841 447 H LEU 59 H LEU 59 -6.303 -0.061 3.269 448 HA LEU 59 HA LEU 59 -7.463 1.737 1.612 449 HB2 LEU 59 2HB LEU 59 -5.058 1.650 2.186 450 HB3 LEU 59 1HB LEU 59 -4.857 0.324 1.058 451 HG LEU 59 HG LEU 59 -5.125 1.697 -0.811 452 HD11 LEU 59 1HD1 LEU 59 -7.033 2.931 -0.570 453 HD12 LEU 59 2HD1 LEU 59 -5.823 4.194 -0.345 454 HD13 LEU 59 3HD1 LEU 59 -6.614 3.469 1.056 455 HD21 LEU 59 3HD2 LEU 59 -3.629 3.627 -0.430 456 HD22 LEU 59 1HD2 LEU 59 -3.007 2.122 0.245 457 HD23 LEU 59 2HD2 LEU 59 -3.735 3.329 1.305 458 H MET 60 H MET 60 -9.223 0.875 0.546 459 HA MET 60 HA MET 60 -8.973 -1.295 -1.307 460 HB2 MET 60 2HB MET 60 -11.218 0.703 -0.991 461 HB3 MET 60 1HB MET 60 -11.303 -0.825 -1.857 462 HG2 MET 60 2HG MET 60 -10.690 -1.918 0.359 463 HG3 MET 60 1HG MET 60 -11.064 -0.359 1.089 464 HE1 MET 60 3HE MET 60 -13.629 -2.969 1.994 465 HE2 MET 60 1HE MET 60 -13.897 -1.295 2.481 466 HE3 MET 60 2HE MET 60 -12.264 -1.960 2.469 467 HA PRO 61 HA PRO 61 -7.755 0.767 -4.985 468 HB2 PRO 61 2HB PRO 61 -9.356 -0.451 -6.849 469 HB3 PRO 61 1HB PRO 61 -7.912 -1.194 -6.151 470 HG2 PRO 61 2HG PRO 61 -10.787 -1.588 -5.428 471 HG3 PRO 61 1HG PRO 61 -9.489 -2.789 -5.560 472 HD2 PRO 61 2HD PRO 61 -10.331 -1.845 -3.183 473 HD3 PRO 61 1HD PRO 61 -8.636 -2.280 -3.473 474 HA PRO 62 HA PRO 62 -10.673 4.092 -5.453 475 HB2 PRO 62 2HB PRO 62 -9.437 5.389 -7.499 476 HB3 PRO 62 1HB PRO 62 -8.879 5.470 -5.826 477 HG2 PRO 62 2HG PRO 62 -7.870 3.785 -8.083 478 HG3 PRO 62 1HG PRO 62 -6.952 4.675 -6.854 479 HD2 PRO 62 2HD PRO 62 -7.374 2.009 -6.702 480 HD3 PRO 62 1HD PRO 62 -7.255 3.036 -5.260 481 H GLN 63 H GLN 63 -11.539 5.327 -7.585 482 HA GLN 63 HA GLN 63 -12.317 3.311 -9.567 483 HB2 GLN 63 2HB GLN 63 -14.636 4.023 -9.483 484 HB3 GLN 63 1HB GLN 63 -14.120 3.498 -7.888 485 HG2 GLN 63 2HG GLN 63 -13.898 5.777 -7.155 486 HG3 GLN 63 1HG GLN 63 -14.251 6.369 -8.777 487 HE21 GLN 63 1HE2 GLN 63 -15.779 3.838 -6.830 488 HE22 GLN 63 2HE2 GLN 63 -17.358 4.538 -6.840 489 H ALA 64 H ALA 64 -13.961 4.798 -11.147 490 HA ALA 64 HA ALA 64 -12.225 6.251 -12.747 491 HB1 ALA 64 1HB ALA 64 -15.158 5.934 -12.587 492 HB2 ALA 64 2HB ALA 64 -14.061 5.693 -13.947 493 HB3 ALA 64 3HB ALA 64 -14.562 7.324 -13.495 494 H GLY 65 H GLY 65 -11.068 7.917 -11.954 495 HA2 GLY 65 2HA GLY 65 -11.251 10.386 -11.832 496 HA3 GLY 65 1HA GLY 65 -12.584 10.133 -10.715 497 H MET 66 H MET 66 -11.118 7.871 -9.429 498 HA MET 66 HA MET 66 -9.396 9.530 -7.730 499 HB2 MET 66 2HB MET 66 -11.172 7.216 -7.263 500 HB3 MET 66 1HB MET 66 -9.673 7.216 -6.346 501 HG2 MET 66 2HG MET 66 -10.458 8.722 -4.935 502 HG3 MET 66 1HG MET 66 -10.891 9.810 -6.251 503 HE1 MET 66 3HE MET 66 -14.012 10.303 -6.412 504 HE2 MET 66 1HE MET 66 -12.580 10.856 -5.543 505 HE3 MET 66 2HE MET 66 -13.991 10.290 -4.648 506 H GLU 67 H GLU 67 -9.326 6.903 -9.955 507 HA GLU 67 HA GLU 67 -7.107 5.458 -9.144 508 HB2 GLU 67 2HB GLU 67 -6.845 4.815 -11.487 509 HB3 GLU 67 1HB GLU 67 -8.540 4.797 -11.019 510 HG2 GLU 67 2HG GLU 67 -8.757 7.068 -12.045 511 HG3 GLU 67 1HG GLU 67 -7.118 6.871 -12.665 512 H LYS 68 H LYS 68 -7.282 8.661 -10.442 513 HA LYS 68 HA LYS 68 -4.455 8.753 -11.097 514 HB2 LYS 68 2HB LYS 68 -4.982 11.166 -11.633 515 HB3 LYS 68 1HB LYS 68 -5.837 9.967 -12.592 516 HG2 LYS 68 2HG LYS 68 -7.860 10.357 -11.493 517 HG3 LYS 68 1HG LYS 68 -7.070 11.179 -10.146 518 HD2 LYS 68 2HD LYS 68 -6.300 12.763 -12.183 519 HD3 LYS 68 1HD LYS 68 -7.855 12.202 -12.801 520 HE2 LYS 68 2HE LYS 68 -9.000 13.027 -10.878 521 HE3 LYS 68 1HE LYS 68 -7.481 13.373 -10.051 522 HZ1 LYS 68 3HZ LYS 68 -8.209 15.421 -10.850 523 HZ2 LYS 68 1HZ LYS 68 -8.686 14.793 -12.347 524 HZ3 LYS 68 2HZ LYS 68 -7.042 14.948 -11.979 525 H GLU 69 H GLU 69 -6.363 9.212 -8.336 526 HA GLU 69 HA GLU 69 -4.776 11.265 -7.124 527 HB2 GLU 69 2HB GLU 69 -6.971 11.270 -6.356 528 HB3 GLU 69 1HB GLU 69 -7.057 9.518 -6.277 529 HG2 GLU 69 2HG GLU 69 -6.510 9.524 -4.140 530 HG3 GLU 69 1HG GLU 69 -5.076 10.493 -4.457 531 HA PRO 70 HA PRO 70 -1.578 8.572 -5.637 532 HB2 PRO 70 2HB PRO 70 -0.506 10.165 -3.735 533 HB3 PRO 70 1HB PRO 70 -0.296 10.477 -5.461 534 HG2 PRO 70 2HG PRO 70 -2.206 11.732 -3.528 535 HG3 PRO 70 1HG PRO 70 -1.226 12.501 -4.791 536 HD2 PRO 70 2HD PRO 70 -3.865 11.934 -5.109 537 HD3 PRO 70 1HD PRO 70 -2.711 11.944 -6.457 538 H VAL 71 H VAL 71 -0.860 7.455 -3.721 539 HA VAL 71 HA VAL 71 -2.971 6.467 -2.149 540 HB VAL 71 HB VAL 71 -1.059 5.471 -0.746 541 HG11 VAL 71 1HG1 VAL 71 -1.452 3.721 -2.051 542 HG12 VAL 71 2HG1 VAL 71 -0.430 4.404 -3.314 543 HG13 VAL 71 3HG1 VAL 71 -2.149 4.795 -3.263 544 HG21 VAL 71 3HG2 VAL 71 0.733 6.112 -3.023 545 HG22 VAL 71 1HG2 VAL 71 1.120 5.767 -1.337 546 HG23 VAL 71 2HG2 VAL 71 0.489 7.350 -1.791 547 HA PRO 72 HA PRO 72 -3.061 9.182 1.342 548 HB2 PRO 72 2HB PRO 72 -3.729 7.553 3.358 549 HB3 PRO 72 1HB PRO 72 -4.836 7.848 2.013 550 HG2 PRO 72 2HG PRO 72 -2.992 5.528 2.464 551 HG3 PRO 72 1HG PRO 72 -4.693 5.515 1.967 552 HD2 PRO 72 2HD PRO 72 -2.637 5.262 0.210 553 HD3 PRO 72 1HD PRO 72 -4.188 6.006 -0.222 554 H LEU 73 H LEU 73 -0.545 7.085 0.950 555 HA LEU 73 HA LEU 73 0.665 7.672 3.555 556 HB2 LEU 73 2HB LEU 73 2.029 5.887 1.625 557 HB3 LEU 73 1HB LEU 73 1.885 5.756 3.368 558 HG LEU 73 HG LEU 73 -0.462 5.238 1.562 559 HD11 LEU 73 1HD1 LEU 73 1.059 3.689 0.723 560 HD12 LEU 73 2HD1 LEU 73 0.154 2.793 1.942 561 HD13 LEU 73 3HD1 LEU 73 1.773 3.392 2.307 562 HD21 LEU 73 3HD2 LEU 73 0.239 4.442 4.381 563 HD22 LEU 73 1HD2 LEU 73 -1.166 3.850 3.495 564 HD23 LEU 73 2HD2 LEU 73 -1.020 5.567 3.871 565 H GLN 74 H GLN 74 2.764 8.528 3.698 566 HA GLN 74 HA GLN 74 3.854 9.720 1.251 567 HB2 GLN 74 2HB GLN 74 3.349 11.146 3.864 568 HB3 GLN 74 1HB GLN 74 4.327 11.801 2.558 569 HG2 GLN 74 2HG GLN 74 2.330 12.803 2.123 570 HG3 GLN 74 1HG GLN 74 2.175 11.349 1.139 571 HE21 GLN 74 1HE2 GLN 74 0.057 10.953 1.179 572 HE22 GLN 74 2HE2 GLN 74 -0.885 10.729 2.610 573 H HIS 75 H HIS 75 6.044 10.879 1.957 574 HA HIS 75 HA HIS 75 7.867 8.866 2.547 575 HB2 HIS 75 2HB HIS 75 8.274 11.134 1.425 576 HB3 HIS 75 1HB HIS 75 8.413 11.786 3.053 577 HD1 HIS 75 1HD HIS 75 9.939 8.998 3.962 578 HD2 HIS 75 2HD HIS 75 11.014 11.729 1.021 579 HE1 HIS 75 1HE HIS 75 12.415 8.702 3.643 580 HE2 HIS 75 2HE HIS 75 13.022 10.290 1.786 581 H GLY 76 H GLY 76 7.927 7.756 4.396 582 HA2 GLY 76 2HA GLY 76 8.844 7.756 6.640 583 HA3 GLY 76 1HA GLY 76 8.051 9.300 6.905 584 H ASP 77 H ASP 77 5.987 7.263 5.212 585 HA ASP 77 HA ASP 77 4.417 6.822 7.620 586 HB2 ASP 77 2HB ASP 77 3.804 7.357 4.919 587 HB3 ASP 77 1HB ASP 77 3.205 5.732 5.242 588 H ARG 78 H ARG 78 3.029 4.609 7.257 589 HA ARG 78 HA ARG 78 4.798 2.389 6.611 590 HB2 ARG 78 2HB ARG 78 4.255 1.301 8.832 591 HB3 ARG 78 1HB ARG 78 5.378 2.653 8.903 592 HG2 ARG 78 2HG ARG 78 2.832 3.767 9.230 593 HG3 ARG 78 1HG ARG 78 2.851 2.306 10.218 594 HD2 ARG 78 2HD ARG 78 5.329 3.650 10.580 595 HD3 ARG 78 1HD ARG 78 4.035 4.834 10.756 596 HE ARG 78 HE ARG 78 3.400 3.806 12.703 597 HH11 ARG 78 1HH1 ARG 78 5.580 1.705 10.967 598 HH12 ARG 78 2HH1 ARG 78 5.732 0.578 12.274 599 HH21 ARG 78 1HH2 ARG 78 3.599 2.324 14.421 600 HH22 ARG 78 2HH2 ARG 78 4.608 0.928 14.234 601 H ILE 79 H ILE 79 3.705 0.434 6.226 602 HA ILE 79 HA ILE 79 0.791 0.498 6.414 603 HB ILE 79 HB ILE 79 0.815 -0.480 3.999 604 HG12 ILE 79 2HG1 ILE 79 3.285 1.262 3.949 605 HG13 ILE 79 1HG1 ILE 79 3.282 -0.493 3.799 606 HG21 ILE 79 1HG2 ILE 79 0.045 1.852 5.058 607 HG22 ILE 79 2HG2 ILE 79 -0.096 1.476 3.341 608 HG23 ILE 79 3HG2 ILE 79 1.267 2.430 3.926 609 HD11 ILE 79 3HD1 ILE 79 2.920 -0.351 1.623 610 HD12 ILE 79 1HD1 ILE 79 3.099 1.399 1.755 611 HD13 ILE 79 2HD1 ILE 79 1.500 0.664 1.875 612 H THR 80 H THR 80 -0.175 -1.605 5.684 613 HA THR 80 HA THR 80 1.609 -3.879 6.203 614 HB THR 80 HB THR 80 -1.149 -3.509 7.386 615 HG1 THR 80 1HG THR 80 -0.182 -2.811 9.108 616 HG21 THR 80 3HG2 THR 80 0.837 -5.686 7.974 617 HG22 THR 80 1HG2 THR 80 -0.538 -5.870 6.885 618 HG23 THR 80 2HG2 THR 80 -0.807 -5.526 8.594 619 H ILE 81 H ILE 81 1.363 -5.525 4.816 620 HA ILE 81 HA ILE 81 -0.832 -5.344 2.879 621 HB ILE 81 HB ILE 81 1.754 -6.881 2.658 622 HG12 ILE 81 2HG1 ILE 81 2.217 -4.515 2.683 623 HG13 ILE 81 1HG1 ILE 81 2.369 -5.096 1.029 624 HG21 ILE 81 1HG2 ILE 81 1.160 -7.065 0.278 625 HG22 ILE 81 2HG2 ILE 81 -0.389 -6.295 0.620 626 HG23 ILE 81 3HG2 ILE 81 -0.011 -7.866 1.325 627 HD11 ILE 81 3HD1 ILE 81 -0.280 -4.286 1.261 628 HD12 ILE 81 1HD1 ILE 81 1.027 -3.439 0.435 629 HD13 ILE 81 2HD1 ILE 81 0.655 -3.058 2.116 630 H GLU 82 H GLU 82 -1.968 -7.212 2.236 631 HA GLU 82 HA GLU 82 -1.681 -9.556 3.972 632 HB2 GLU 82 2HB GLU 82 -3.479 -8.689 5.087 633 HB3 GLU 82 1HB GLU 82 -4.063 -7.804 3.687 634 HG2 GLU 82 2HG GLU 82 -4.926 -9.870 2.723 635 HG3 GLU 82 1HG GLU 82 -4.309 -10.778 4.101 636 H ILE 83 H ILE 83 -1.345 -11.245 2.729 637 HA ILE 83 HA ILE 83 -1.726 -11.295 -0.047 638 HB ILE 83 HB ILE 83 -1.435 -13.649 1.811 639 HG12 ILE 83 2HG1 ILE 83 1.004 -13.262 0.678 640 HG13 ILE 83 1HG1 ILE 83 0.448 -11.600 0.820 641 HG21 ILE 83 1HG2 ILE 83 -1.450 -14.951 0.011 642 HG22 ILE 83 2HG2 ILE 83 -0.256 -13.937 -0.798 643 HG23 ILE 83 3HG2 ILE 83 -1.972 -13.556 -0.932 644 HD11 ILE 83 3HD1 ILE 83 1.411 -13.405 2.857 645 HD12 ILE 83 1HD1 ILE 83 -0.153 -12.715 3.276 646 HD13 ILE 83 2HD1 ILE 83 1.206 -11.655 2.906 647 H LEU 84 H LEU 84 -3.660 -11.203 -0.984 648 HA LEU 84 HA LEU 84 -6.041 -12.200 0.241 649 HB2 LEU 84 2HB LEU 84 -5.655 -11.399 -2.640 650 HB3 LEU 84 1HB LEU 84 -7.169 -11.489 -1.761 651 HG LEU 84 HG LEU 84 -4.955 -9.479 -1.372 652 HD11 LEU 84 1HD1 LEU 84 -6.151 -8.566 -3.056 653 HD12 LEU 84 2HD1 LEU 84 -7.193 -8.057 -1.727 654 HD13 LEU 84 3HD1 LEU 84 -7.606 -9.487 -2.674 655 HD21 LEU 84 3HD2 LEU 84 -7.067 -10.375 0.453 656 HD22 LEU 84 1HD2 LEU 84 -7.016 -8.631 0.194 657 HD23 LEU 84 2HD2 LEU 84 -5.585 -9.477 0.782 658 H LYS 85 H LYS 85 -7.514 -13.700 -1.035 659 HA LYS 85 HA LYS 85 -5.997 -16.102 -1.669 660 HB2 LYS 85 2HB LYS 85 -8.305 -15.681 -0.216 661 HB3 LYS 85 1HB LYS 85 -8.915 -16.313 -1.739 662 HG2 LYS 85 2HG LYS 85 -8.611 -18.177 -0.345 663 HG3 LYS 85 1HG LYS 85 -7.253 -18.199 -1.473 664 HD2 LYS 85 2HD LYS 85 -6.278 -16.687 0.595 665 HD3 LYS 85 1HD LYS 85 -7.281 -17.873 1.434 666 HE2 LYS 85 2HE LYS 85 -6.084 -19.611 -0.040 667 HE3 LYS 85 1HE LYS 85 -4.911 -18.330 -0.348 668 HZ1 LYS 85 3HZ LYS 85 -4.206 -18.330 1.822 669 HZ2 LYS 85 1HZ LYS 85 -4.550 -19.972 1.604 670 HZ3 LYS 85 2HZ LYS 85 -5.647 -18.980 2.423 671 H GLY 86 H GLY 86 -5.288 -15.918 -3.728 672 HA2 GLY 86 2HA GLY 86 -7.056 -15.020 -5.845 673 HA3 GLY 86 1HA GLY 86 -5.376 -15.505 -6.023
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