NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25733 | 2kbn | 16051 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -10.166 2.244 -12.367 2 H2 MET 1 HT2 MET 1 -10.989 1.017 -13.207 3 H3 MET 1 HT3 MET 1 -11.449 1.422 -11.622 4 HA MET 1 HA MET 1 -11.517 3.485 -13.710 5 HB2 MET 1 HB2 MET 1 -13.585 1.317 -13.253 6 HB3 MET 1 HB1 MET 1 -13.903 2.807 -14.142 7 HG2 MET 1 HG2 MET 1 -12.029 2.249 -15.686 8 HG3 MET 1 HG1 MET 1 -11.817 0.719 -14.839 9 HE1 MET 1 HE1 MET 1 -14.874 -0.355 -14.274 10 HE2 MET 1 HE2 MET 1 -13.305 -1.063 -14.644 11 HE3 MET 1 HE3 MET 1 -14.696 -1.445 -15.654 12 H GLU 2 HN GLU 2 -11.760 5.260 -12.479 13 HA GLU 2 HA GLU 2 -12.404 6.656 -10.708 14 HB2 GLU 2 HB2 GLU 2 -14.954 5.034 -10.960 15 HB3 GLU 2 HB1 GLU 2 -14.804 6.642 -10.250 16 HG2 GLU 2 HG2 GLU 2 -14.082 7.563 -12.395 17 HG3 GLU 2 HG1 GLU 2 -14.119 5.957 -13.124 18 HA PRO 3 HA PRO 3 -11.837 3.130 -7.603 19 HB2 PRO 3 HB2 PRO 3 -9.228 3.627 -6.942 20 HB3 PRO 3 HB1 PRO 3 -9.696 2.585 -8.301 21 HG2 PRO 3 HG2 PRO 3 -8.834 5.448 -8.329 22 HG3 PRO 3 HG1 PRO 3 -8.367 4.121 -9.411 23 HD2 PRO 3 HD2 PRO 3 -10.254 5.970 -10.103 24 HD3 PRO 3 HD1 PRO 3 -10.311 4.290 -10.681 25 H GLN 4 HN GLN 4 -11.912 3.408 -5.338 26 HA GLN 4 HA GLN 4 -12.449 6.133 -4.431 27 HB2 GLN 4 HB2 GLN 4 -12.708 4.852 -2.165 28 HB3 GLN 4 HB1 GLN 4 -13.882 4.554 -3.444 29 HG2 GLN 4 HG2 GLN 4 -12.761 2.517 -4.100 30 HG3 GLN 4 HG1 GLN 4 -11.412 2.851 -3.012 31 HE21 GLN 4 HE21 GLN 4 -12.165 3.131 -0.590 32 HE22 GLN 4 HE22 GLN 4 -13.356 2.047 -0.053 33 H LEU 5 HN LEU 5 -10.402 7.158 -4.628 34 HA LEU 5 HA LEU 5 -8.025 6.104 -3.324 35 HB2 LEU 5 HB2 LEU 5 -8.620 8.926 -4.269 36 HB3 LEU 5 HB1 LEU 5 -7.027 8.263 -3.905 37 HG LEU 5 HG LEU 5 -8.897 7.251 -6.067 38 HD11 LEU 5 HD11 LEU 5 -6.992 8.128 -7.543 39 HD12 LEU 5 HD12 LEU 5 -6.433 9.002 -6.116 40 HD13 LEU 5 HD13 LEU 5 -8.026 9.344 -6.791 41 HD21 LEU 5 HD21 LEU 5 -6.220 6.333 -5.021 42 HD22 LEU 5 HD22 LEU 5 -6.618 6.092 -6.722 43 HD23 LEU 5 HD23 LEU 5 -7.627 5.371 -5.474 44 H THR 6 HN THR 6 -7.150 6.704 -1.342 45 HA THR 6 HA THR 6 -8.790 8.536 0.376 46 HB THR 6 HB THR 6 -7.586 5.877 1.195 47 HG1 THR 6 HG1 THR 6 -10.251 6.341 1.548 48 HG21 THR 6 HG21 THR 6 -8.827 6.395 3.336 49 HG22 THR 6 HG22 THR 6 -9.064 8.031 2.722 50 HG23 THR 6 HG23 THR 6 -7.433 7.431 3.027 51 H LYS 7 HN LYS 7 -7.616 9.966 1.548 52 HA LYS 7 HA LYS 7 -4.756 10.179 1.024 53 HB2 LYS 7 HB2 LYS 7 -6.653 11.778 2.765 54 HB3 LYS 7 HB1 LYS 7 -4.953 12.188 2.530 55 HG2 LYS 7 HG2 LYS 7 -5.319 12.371 0.103 56 HG3 LYS 7 HG1 LYS 7 -7.014 11.936 0.320 57 HD2 LYS 7 HD2 LYS 7 -7.358 13.933 1.721 58 HD3 LYS 7 HD1 LYS 7 -5.661 14.371 1.519 59 HE2 LYS 7 HE2 LYS 7 -5.987 14.557 -0.914 60 HE3 LYS 7 HE1 LYS 7 -7.680 14.099 -0.729 61 HZ1 LYS 7 HZ1 LYS 7 -8.090 16.053 0.548 62 HZ2 LYS 7 HZ2 LYS 7 -7.304 16.525 -0.882 63 HZ3 LYS 7 HZ3 LYS 7 -6.443 16.457 0.581 64 H ILE 8 HN ILE 8 -3.106 10.148 2.670 65 HA ILE 8 HA ILE 8 -3.295 7.994 4.534 66 HB ILE 8 HB ILE 8 -1.353 10.320 4.351 67 HG12 ILE 8 HG12 ILE 8 -1.022 7.406 3.571 68 HG13 ILE 8 HG11 ILE 8 -1.491 8.671 2.436 69 HG21 ILE 8 HG21 ILE 8 -1.333 7.835 6.081 70 HG22 ILE 8 HG22 ILE 8 -1.209 9.515 6.603 71 HG23 ILE 8 HG23 ILE 8 0.124 8.764 5.731 72 HD11 ILE 8 HD11 ILE 8 0.910 8.383 2.278 73 HD12 ILE 8 HD12 ILE 8 1.084 8.525 4.027 74 HD13 ILE 8 HD13 ILE 8 0.596 9.923 3.076 75 H VAL 9 HN VAL 9 -3.524 11.525 4.979 76 HA VAL 9 HA VAL 9 -3.767 11.473 7.822 77 HB VAL 9 HB VAL 9 -3.322 13.511 6.433 78 HG11 VAL 9 HG11 VAL 9 -6.300 13.543 5.929 79 HG12 VAL 9 HG12 VAL 9 -5.160 12.878 4.760 80 HG13 VAL 9 HG13 VAL 9 -5.062 14.578 5.218 81 HG21 VAL 9 HG21 VAL 9 -4.127 13.633 8.804 82 HG22 VAL 9 HG22 VAL 9 -5.779 13.751 8.195 83 HG23 VAL 9 HG23 VAL 9 -4.612 15.023 7.833 84 H ASP 10 HN ASP 10 -6.054 10.858 5.249 85 HA ASP 10 HA ASP 10 -8.467 11.112 6.799 86 HB2 ASP 10 HB2 ASP 10 -8.291 11.023 4.271 87 HB3 ASP 10 HB1 ASP 10 -8.004 9.290 4.425 88 H ILE 11 HN ILE 11 -6.155 8.491 6.292 89 HA ILE 11 HA ILE 11 -7.796 6.414 7.415 90 HB ILE 11 HB ILE 11 -4.782 6.649 7.173 91 HG12 ILE 11 HG12 ILE 11 -6.771 5.074 5.509 92 HG13 ILE 11 HG11 ILE 11 -6.177 6.672 5.058 93 HG21 ILE 11 HG21 ILE 11 -5.234 5.008 8.865 94 HG22 ILE 11 HG22 ILE 11 -4.921 4.114 7.379 95 HG23 ILE 11 HG23 ILE 11 -6.577 4.333 7.943 96 HD11 ILE 11 HD11 ILE 11 -4.784 5.091 3.918 97 HD12 ILE 11 HD12 ILE 11 -4.568 4.129 5.380 98 HD13 ILE 11 HD13 ILE 11 -3.822 5.722 5.254 99 H VAL 12 HN VAL 12 -8.417 6.233 9.473 100 HA VAL 12 HA VAL 12 -6.531 6.864 11.662 101 HB VAL 12 HB VAL 12 -8.278 8.201 12.858 102 HG11 VAL 12 HG11 VAL 12 -7.820 10.242 11.685 103 HG12 VAL 12 HG12 VAL 12 -7.622 9.391 10.153 104 HG13 VAL 12 HG13 VAL 12 -6.421 9.199 11.429 105 HG21 VAL 12 HG21 VAL 12 -10.112 9.150 11.401 106 HG22 VAL 12 HG22 VAL 12 -10.279 7.427 11.733 107 HG23 VAL 12 HG23 VAL 12 -9.667 7.968 10.171 108 H GLU 13 HN GLU 13 -8.433 4.680 10.280 109 HA GLU 13 HA GLU 13 -9.178 3.432 12.898 110 HB2 GLU 13 HB2 GLU 13 -11.223 4.380 11.832 111 HB3 GLU 13 HB1 GLU 13 -10.908 3.389 10.404 112 HG2 GLU 13 HG2 GLU 13 -11.072 1.347 11.736 113 HG3 GLU 13 HG1 GLU 13 -11.276 2.296 13.209 114 H ASN 14 HN ASN 14 -8.735 1.272 13.023 115 HA ASN 14 HA ASN 14 -7.069 0.140 10.896 116 HB2 ASN 14 HB2 ASN 14 -6.775 -1.743 12.465 117 HB3 ASN 14 HB1 ASN 14 -6.451 -0.194 13.242 118 HD21 ASN 14 HD21 ASN 14 -7.045 -0.860 15.387 119 HD22 ASN 14 HD22 ASN 14 -8.637 -1.276 15.806 120 H GLY 15 HN GLY 15 -7.508 -1.827 9.790 121 HA2 GLY 15 HA2 GLY 15 -8.861 -3.523 8.853 122 HA3 GLY 15 HA1 GLY 15 -10.117 -3.121 10.030 123 H GLN 16 HN GLN 16 -9.073 -0.294 8.619 124 HA GLN 16 HA GLN 16 -11.557 0.048 7.177 125 HB2 GLN 16 HB2 GLN 16 -10.414 1.936 8.272 126 HB3 GLN 16 HB1 GLN 16 -9.047 1.750 7.174 127 HG2 GLN 16 HG2 GLN 16 -10.399 2.320 5.266 128 HG3 GLN 16 HG1 GLN 16 -11.879 2.254 6.225 129 HE21 GLN 16 HE21 GLN 16 -9.933 4.487 4.835 130 HE22 GLN 16 HE22 GLN 16 -10.071 5.756 5.953 131 H TRP 17 HN TRP 17 -11.977 -0.416 5.092 132 HA TRP 17 HA TRP 17 -9.746 -1.385 3.375 133 HB2 TRP 17 HB2 TRP 17 -12.753 -1.696 3.238 134 HB3 TRP 17 HB1 TRP 17 -11.672 -2.221 1.946 135 HD1 TRP 17 HD1 TRP 17 -12.599 -2.963 5.574 136 HE1 TRP 17 HE1 TRP 17 -11.673 -5.284 6.208 137 HE3 TRP 17 HE3 TRP 17 -9.858 -3.987 1.391 138 HZ2 TRP 17 HZ2 TRP 17 -9.991 -7.309 5.085 139 HZ3 TRP 17 HZ3 TRP 17 -8.606 -6.116 1.198 140 HH2 TRP 17 HH2 TRP 17 -8.668 -7.777 3.037 141 H ALA 18 HN ALA 18 -9.196 -0.345 1.495 142 HA ALA 18 HA ALA 18 -10.870 1.367 -0.026 143 HB1 ALA 18 HB1 ALA 18 -9.268 2.746 2.130 144 HB2 ALA 18 HB2 ALA 18 -10.949 3.011 1.668 145 HB3 ALA 18 HB3 ALA 18 -9.649 3.576 0.623 146 H ASN 19 HN ASN 19 -9.353 2.948 -1.405 147 HA ASN 19 HA ASN 19 -7.016 1.277 -2.241 148 HB2 ASN 19 HB2 ASN 19 -8.487 3.497 -3.691 149 HB3 ASN 19 HB1 ASN 19 -7.184 2.515 -4.358 150 HD21 ASN 19 HD21 ASN 19 -9.688 2.445 -5.637 151 HD22 ASN 19 HD22 ASN 19 -10.416 0.936 -5.371 152 H LEU 20 HN LEU 20 -4.953 2.222 -2.410 153 HA LEU 20 HA LEU 20 -4.675 5.066 -1.558 154 HB2 LEU 20 HB2 LEU 20 -4.396 3.598 0.439 155 HB3 LEU 20 HB1 LEU 20 -3.084 2.764 -0.390 156 HG LEU 20 HG LEU 20 -1.856 4.928 -0.569 157 HD11 LEU 20 HD11 LEU 20 -2.803 6.711 1.140 158 HD12 LEU 20 HD12 LEU 20 -4.343 5.928 0.797 159 HD13 LEU 20 HD13 LEU 20 -3.415 6.663 -0.510 160 HD21 LEU 20 HD21 LEU 20 -1.505 5.162 1.985 161 HD22 LEU 20 HD22 LEU 20 -1.189 3.588 1.258 162 HD23 LEU 20 HD23 LEU 20 -2.695 3.870 2.131 163 H LYS 21 HN LYS 21 -3.141 6.143 -2.673 164 HA LYS 21 HA LYS 21 -1.327 4.573 -4.481 165 HB2 LYS 21 HB2 LYS 21 -2.914 5.929 -5.743 166 HB3 LYS 21 HB1 LYS 21 -2.492 7.355 -4.799 167 HG2 LYS 21 HG2 LYS 21 -0.275 7.409 -5.695 168 HG3 LYS 21 HG1 LYS 21 -0.451 5.804 -6.405 169 HD2 LYS 21 HD2 LYS 21 -0.693 7.515 -8.142 170 HD3 LYS 21 HD1 LYS 21 -2.227 6.685 -7.898 171 HE2 LYS 21 HE2 LYS 21 -3.165 8.504 -6.722 172 HE3 LYS 21 HE1 LYS 21 -1.588 9.232 -6.410 173 HZ1 LYS 21 HZ1 LYS 21 -3.055 9.086 -8.978 174 HZ2 LYS 21 HZ2 LYS 21 -1.403 9.474 -8.893 175 HZ3 LYS 21 HZ3 LYS 21 -2.553 10.471 -8.138 176 H ALA 22 HN ALA 22 0.874 4.987 -4.309 177 HA ALA 22 HA ALA 22 1.813 7.423 -2.967 178 HB1 ALA 22 HB1 ALA 22 2.368 4.754 -1.656 179 HB2 ALA 22 HB2 ALA 22 1.162 5.903 -1.076 180 HB3 ALA 22 HB3 ALA 22 2.869 6.345 -1.085 181 H LYS 23 HN LYS 23 4.271 7.320 -2.704 182 HA LYS 23 HA LYS 23 5.428 5.964 -5.094 183 HB2 LYS 23 HB2 LYS 23 5.588 8.438 -5.005 184 HB3 LYS 23 HB1 LYS 23 6.494 8.299 -3.498 185 HG2 LYS 23 HG2 LYS 23 8.249 7.019 -4.646 186 HG3 LYS 23 HG1 LYS 23 7.334 7.092 -6.152 187 HD2 LYS 23 HD2 LYS 23 7.489 9.556 -6.128 188 HD3 LYS 23 HD1 LYS 23 8.411 9.482 -4.626 189 HE2 LYS 23 HE2 LYS 23 10.070 9.667 -6.299 190 HE3 LYS 23 HE1 LYS 23 10.037 7.944 -5.927 191 HZ1 LYS 23 HZ1 LYS 23 8.562 9.235 -8.158 192 HZ2 LYS 23 HZ2 LYS 23 8.616 7.571 -7.819 193 HZ3 LYS 23 HZ3 LYS 23 10.021 8.385 -8.320 194 H VAL 24 HN VAL 24 7.274 4.683 -4.901 195 HA VAL 24 HA VAL 24 7.736 3.586 -2.216 196 HB VAL 24 HB VAL 24 9.009 2.922 -4.884 197 HG11 VAL 24 HG11 VAL 24 9.626 0.801 -3.719 198 HG12 VAL 24 HG12 VAL 24 9.035 1.491 -2.208 199 HG13 VAL 24 HG13 VAL 24 10.423 2.210 -3.021 200 HG21 VAL 24 HG21 VAL 24 6.473 2.590 -4.565 201 HG22 VAL 24 HG22 VAL 24 6.902 1.361 -3.375 202 HG23 VAL 24 HG23 VAL 24 7.403 1.174 -5.055 203 H ILE 25 HN ILE 25 9.178 4.426 -0.857 204 HA ILE 25 HA ILE 25 11.349 6.184 -1.885 205 HB ILE 25 HB ILE 25 10.324 5.636 0.919 206 HG12 ILE 25 HG12 ILE 25 10.141 8.164 -0.745 207 HG13 ILE 25 HG11 ILE 25 8.854 6.959 -0.677 208 HG21 ILE 25 HG21 ILE 25 12.594 7.323 -0.134 209 HG22 ILE 25 HG22 ILE 25 12.581 6.210 1.233 210 HG23 ILE 25 HG23 ILE 25 11.764 7.763 1.360 211 HD11 ILE 25 HD11 ILE 25 8.725 8.963 0.971 212 HD12 ILE 25 HD12 ILE 25 10.004 8.136 1.856 213 HD13 ILE 25 HD13 ILE 25 8.445 7.346 1.615 214 H GLN 26 HN GLN 26 11.122 3.772 0.755 215 HA GLN 26 HA GLN 26 13.530 2.407 -0.310 216 HB2 GLN 26 HB2 GLN 26 13.363 3.824 2.352 217 HB3 GLN 26 HB1 GLN 26 14.468 2.469 2.107 218 HG2 GLN 26 HG2 GLN 26 15.498 3.641 0.203 219 HG3 GLN 26 HG1 GLN 26 14.390 4.993 0.425 220 HE21 GLN 26 HE21 GLN 26 15.668 6.654 1.273 221 HE22 GLN 26 HE22 GLN 26 16.703 6.489 2.608 222 H LEU 27 HN LEU 27 13.634 0.273 0.230 223 HA LEU 27 HA LEU 27 11.473 -0.830 1.984 224 HB2 LEU 27 HB2 LEU 27 11.826 -2.878 0.287 225 HB3 LEU 27 HB1 LEU 27 10.687 -1.581 -0.062 226 HG LEU 27 HG LEU 27 13.546 -1.207 -0.932 227 HD11 LEU 27 HD11 LEU 27 13.158 -3.438 -1.732 228 HD12 LEU 27 HD12 LEU 27 12.948 -2.347 -3.102 229 HD13 LEU 27 HD13 LEU 27 11.537 -3.021 -2.287 230 HD21 LEU 27 HD21 LEU 27 11.035 -0.594 -2.494 231 HD22 LEU 27 HD22 LEU 27 12.596 0.222 -2.539 232 HD23 LEU 27 HD23 LEU 27 11.522 0.455 -1.164 233 H TRP 28 HN TRP 28 12.128 -2.316 3.463 234 HA TRP 28 HA TRP 28 15.028 -3.091 3.449 235 HB2 TRP 28 HB2 TRP 28 13.055 -2.694 5.716 236 HB3 TRP 28 HB1 TRP 28 14.654 -3.411 5.926 237 HD1 TRP 28 HD1 TRP 28 12.917 -0.113 5.146 238 HE1 TRP 28 HE1 TRP 28 14.638 1.801 5.319 239 HE3 TRP 28 HE3 TRP 28 17.199 -2.830 5.708 240 HZ2 TRP 28 HZ2 TRP 28 17.462 2.133 5.653 241 HZ3 TRP 28 HZ3 TRP 28 19.389 -1.695 5.950 242 HH2 TRP 28 HH2 TRP 28 19.526 0.781 5.924 243 H GLU 29 HN GLU 29 15.492 -5.225 3.356 244 HA GLU 29 HA GLU 29 13.401 -7.143 2.818 245 HB2 GLU 29 HB2 GLU 29 16.373 -7.448 3.324 246 HB3 GLU 29 HB1 GLU 29 15.322 -8.775 2.826 247 HG2 GLU 29 HG2 GLU 29 15.642 -6.186 1.284 248 HG3 GLU 29 HG1 GLU 29 16.509 -7.675 0.908 249 H ASN 30 HN ASN 30 12.434 -8.585 4.177 250 HA ASN 30 HA ASN 30 13.185 -8.445 7.070 251 HB2 ASN 30 HB2 ASN 30 10.817 -7.943 6.270 252 HB3 ASN 30 HB1 ASN 30 10.688 -9.659 5.876 253 HD21 ASN 30 HD21 ASN 30 9.162 -8.246 7.975 254 HD22 ASN 30 HD22 ASN 30 9.570 -8.984 9.448 255 H THR 31 HN THR 31 13.962 -10.213 8.098 256 HA THR 31 HA THR 31 14.575 -12.620 6.517 257 HB THR 31 HB THR 31 16.283 -11.678 8.023 258 HG1 THR 31 HG1 THR 31 16.094 -13.985 7.703 259 HG21 THR 31 HG21 THR 31 14.396 -12.415 10.269 260 HG22 THR 31 HG22 THR 31 14.606 -10.773 9.668 261 HG23 THR 31 HG23 THR 31 15.961 -11.616 10.414 262 H HIS 32 HN HIS 32 11.898 -11.593 8.080 263 HA HIS 32 HA HIS 32 11.254 -13.996 9.606 264 HB2 HIS 32 HB2 HIS 32 10.399 -11.554 9.962 265 HB3 HIS 32 HB1 HIS 32 9.227 -11.947 8.707 266 HD1 HIS 32 HD1 HIS 32 8.437 -14.773 9.357 267 HD2 HIS 32 HD2 HIS 32 9.012 -11.907 12.329 268 HE1 HIS 32 HE1 HIS 32 7.145 -15.573 11.383 269 H GLU 33 HN GLU 33 9.988 -15.708 8.961 270 HA GLU 33 HA GLU 33 9.732 -16.287 6.157 271 HB2 GLU 33 HB2 GLU 33 8.488 -17.561 8.612 272 HB3 GLU 33 HB1 GLU 33 8.353 -18.231 6.986 273 HG2 GLU 33 HG2 GLU 33 10.793 -18.412 6.828 274 HG3 GLU 33 HG1 GLU 33 10.967 -17.672 8.420 275 H SER 34 HN SER 34 7.438 -15.148 8.620 276 HA SER 34 HA SER 34 5.104 -15.288 6.937 277 HB2 SER 34 HB2 SER 34 4.014 -14.041 8.664 278 HB3 SER 34 HB1 SER 34 5.175 -15.082 9.480 279 HG SER 34 HG SER 34 6.454 -13.378 9.858 280 H ILE 35 HN ILE 35 6.762 -12.360 8.129 281 HA ILE 35 HA ILE 35 5.627 -10.736 6.021 282 HB ILE 35 HB ILE 35 7.818 -10.199 8.042 283 HG12 ILE 35 HG12 ILE 35 4.968 -9.178 7.929 284 HG13 ILE 35 HG11 ILE 35 5.435 -10.621 8.829 285 HG21 ILE 35 HG21 ILE 35 7.190 -7.755 7.416 286 HG22 ILE 35 HG22 ILE 35 6.544 -8.459 5.933 287 HG23 ILE 35 HG23 ILE 35 8.253 -8.643 6.324 288 HD11 ILE 35 HD11 ILE 35 6.678 -7.885 9.237 289 HD12 ILE 35 HD12 ILE 35 6.965 -9.330 10.207 290 HD13 ILE 35 HD13 ILE 35 5.385 -8.546 10.239 291 H SER 36 HN SER 36 6.507 -10.183 4.083 292 HA SER 36 HA SER 36 9.003 -11.551 3.259 293 HB2 SER 36 HB2 SER 36 6.900 -11.574 1.851 294 HB3 SER 36 HB1 SER 36 7.123 -9.845 1.598 295 HG SER 36 HG SER 36 8.281 -11.880 0.333 296 H GLN 37 HN GLN 37 7.646 -8.262 2.767 297 HA GLN 37 HA GLN 37 10.365 -7.137 3.323 298 HB2 GLN 37 HB2 GLN 37 8.586 -6.550 0.938 299 HB3 GLN 37 HB1 GLN 37 9.978 -5.566 1.394 300 HG2 GLN 37 HG2 GLN 37 11.470 -7.472 1.137 301 HG3 GLN 37 HG1 GLN 37 10.102 -8.538 0.812 302 HE21 GLN 37 HE21 GLN 37 12.492 -6.762 -0.739 303 HE22 GLN 37 HE22 GLN 37 11.745 -6.578 -2.251 304 H VAL 38 HN VAL 38 10.324 -4.919 3.989 305 HA VAL 38 HA VAL 38 7.664 -3.754 4.628 306 HB VAL 38 HB VAL 38 8.332 -5.040 6.630 307 HG11 VAL 38 HG11 VAL 38 10.823 -4.846 6.114 308 HG12 VAL 38 HG12 VAL 38 10.375 -4.604 7.802 309 HG13 VAL 38 HG13 VAL 38 10.745 -3.215 6.781 310 HG21 VAL 38 HG21 VAL 38 8.152 -3.210 8.231 311 HG22 VAL 38 HG22 VAL 38 7.141 -2.849 6.833 312 HG23 VAL 38 HG23 VAL 38 8.704 -2.053 7.021 313 H GLY 39 HN GLY 39 7.696 -1.491 4.584 314 HA2 GLY 39 HA2 GLY 39 10.179 0.004 4.747 315 HA3 GLY 39 HA1 GLY 39 9.629 -0.162 3.085 316 H LEU 40 HN LEU 40 9.416 2.197 3.127 317 HA LEU 40 HA LEU 40 6.764 3.007 4.251 318 HB2 LEU 40 HB2 LEU 40 7.782 5.284 4.654 319 HB3 LEU 40 HB1 LEU 40 8.326 4.020 5.750 320 HG LEU 40 HG LEU 40 9.929 4.402 3.239 321 HD11 LEU 40 HD11 LEU 40 9.546 6.722 3.954 322 HD12 LEU 40 HD12 LEU 40 11.218 6.247 4.251 323 HD13 LEU 40 HD13 LEU 40 10.070 6.315 5.589 324 HD21 LEU 40 HD21 LEU 40 10.893 4.124 6.096 325 HD22 LEU 40 HD22 LEU 40 11.733 3.687 4.609 326 HD23 LEU 40 HD23 LEU 40 10.368 2.723 5.165 327 H LEU 41 HN LEU 41 5.599 4.481 2.973 328 HA LEU 41 HA LEU 41 6.700 4.896 0.205 329 HB2 LEU 41 HB2 LEU 41 3.792 4.668 1.020 330 HB3 LEU 41 HB1 LEU 41 4.446 4.711 -0.614 331 HG LEU 41 HG LEU 41 5.105 2.548 1.394 332 HD11 LEU 41 HD11 LEU 41 3.590 1.156 -0.097 333 HD12 LEU 41 HD12 LEU 41 3.024 2.673 -0.795 334 HD13 LEU 41 HD13 LEU 41 2.766 2.340 0.918 335 HD21 LEU 41 HD21 LEU 41 5.738 1.360 -0.792 336 HD22 LEU 41 HD22 LEU 41 6.811 2.658 -0.280 337 HD23 LEU 41 HD23 LEU 41 5.628 2.942 -1.558 338 H GLY 42 HN GLY 42 6.783 6.934 -0.531 339 HA2 GLY 42 HA2 GLY 42 6.104 9.130 1.260 340 HA3 GLY 42 HA1 GLY 42 6.828 9.283 -0.338 341 H ASP 43 HN ASP 43 4.771 10.983 0.504 342 HA ASP 43 HA ASP 43 2.928 10.729 -1.679 343 HB2 ASP 43 HB2 ASP 43 1.998 8.959 -0.146 344 HB3 ASP 43 HB1 ASP 43 1.724 10.219 1.056 345 H GLU 44 HN GLU 44 1.541 12.592 -1.812 346 HA GLU 44 HA GLU 44 2.637 14.990 -0.714 347 HB2 GLU 44 HB2 GLU 44 1.299 14.829 -2.827 348 HB3 GLU 44 HB1 GLU 44 -0.144 14.564 -1.848 349 HG2 GLU 44 HG2 GLU 44 0.159 16.737 -0.761 350 HG3 GLU 44 HG1 GLU 44 1.650 17.002 -1.665 351 H THR 45 HN THR 45 0.403 12.695 0.566 352 HA THR 45 HA THR 45 -0.713 14.612 2.536 353 HB THR 45 HB THR 45 -2.107 12.735 3.251 354 HG1 THR 45 HG1 THR 45 -1.710 10.818 1.683 355 HG21 THR 45 HG21 THR 45 -1.853 13.121 0.263 356 HG22 THR 45 HG22 THR 45 -2.991 13.898 1.363 357 HG23 THR 45 HG23 THR 45 -3.155 12.182 0.991 358 H GLY 46 HN GLY 46 2.010 12.650 2.213 359 HA2 GLY 46 HA2 GLY 46 3.530 13.090 4.275 360 HA3 GLY 46 HA1 GLY 46 2.266 12.251 5.173 361 H ILE 47 HN ILE 47 3.662 10.556 5.775 362 HA ILE 47 HA ILE 47 4.464 8.698 3.552 363 HB ILE 47 HB ILE 47 5.828 9.207 6.212 364 HG12 ILE 47 HG12 ILE 47 6.845 9.617 3.390 365 HG13 ILE 47 HG11 ILE 47 6.128 10.907 4.353 366 HG21 ILE 47 HG21 ILE 47 7.562 7.632 5.098 367 HG22 ILE 47 HG22 ILE 47 6.237 7.145 4.041 368 HG23 ILE 47 HG23 ILE 47 6.113 6.898 5.783 369 HD11 ILE 47 HD11 ILE 47 8.496 9.248 5.254 370 HD12 ILE 47 HD12 ILE 47 7.849 10.690 6.037 371 HD13 ILE 47 HD13 ILE 47 8.641 10.819 4.466 372 H ILE 48 HN ILE 48 3.861 6.576 3.787 373 HA ILE 48 HA ILE 48 2.537 5.778 6.355 374 HB ILE 48 HB ILE 48 0.845 6.276 4.581 375 HG12 ILE 48 HG12 ILE 48 -0.331 4.081 4.757 376 HG13 ILE 48 HG11 ILE 48 1.151 3.356 5.368 377 HG21 ILE 48 HG21 ILE 48 2.428 5.534 2.712 378 HG22 ILE 48 HG22 ILE 48 0.752 5.009 2.567 379 HG23 ILE 48 HG23 ILE 48 1.982 3.880 3.131 380 HD11 ILE 48 HD11 ILE 48 0.979 4.399 7.421 381 HD12 ILE 48 HD12 ILE 48 -0.732 4.297 7.018 382 HD13 ILE 48 HD13 ILE 48 0.141 5.807 6.766 383 H LYS 49 HN LYS 49 3.022 3.760 7.066 384 HA LYS 49 HA LYS 49 5.240 2.372 5.741 385 HB2 LYS 49 HB2 LYS 49 3.774 1.877 8.329 386 HB3 LYS 49 HB1 LYS 49 5.143 0.912 7.772 387 HG2 LYS 49 HG2 LYS 49 6.467 3.060 7.600 388 HG3 LYS 49 HG1 LYS 49 5.131 3.874 8.406 389 HD2 LYS 49 HD2 LYS 49 6.592 1.479 9.549 390 HD3 LYS 49 HD1 LYS 49 6.980 3.148 9.954 391 HE2 LYS 49 HE2 LYS 49 4.422 1.643 10.538 392 HE3 LYS 49 HE1 LYS 49 5.525 2.395 11.685 393 HZ1 LYS 49 HZ1 LYS 49 3.854 3.940 11.537 394 HZ2 LYS 49 HZ2 LYS 49 3.578 3.662 9.883 395 HZ3 LYS 49 HZ3 LYS 49 4.949 4.532 10.384 396 H PHE 50 HN PHE 50 5.149 0.214 4.972 397 HA PHE 50 HA PHE 50 2.463 -1.069 4.876 398 HB2 PHE 50 HB2 PHE 50 2.497 -1.343 2.502 399 HB3 PHE 50 HB1 PHE 50 2.802 0.363 2.810 400 HD1 PHE 50 HD2 PHE 50 5.392 0.980 3.115 401 HD2 PHE 50 HD1 PHE 50 3.910 -2.455 1.009 402 HE1 PHE 50 HE2 PHE 50 7.521 0.830 1.851 403 HE2 PHE 50 HE1 PHE 50 6.038 -2.608 -0.248 404 HZ PHE 50 HZ PHE 50 7.844 -0.963 0.172 405 H THR 51 HN THR 51 2.537 -3.303 4.485 406 HA THR 51 HA THR 51 5.244 -4.586 4.559 407 HB THR 51 HB THR 51 2.819 -5.459 6.164 408 HG1 THR 51 HG1 THR 51 3.516 -3.755 7.258 409 HG21 THR 51 HG21 THR 51 5.713 -6.325 6.308 410 HG22 THR 51 HG22 THR 51 4.464 -7.224 5.446 411 HG23 THR 51 HG23 THR 51 4.358 -7.020 7.194 412 H ILE 52 HN ILE 52 5.420 -6.255 3.104 413 HA ILE 52 HA ILE 52 2.997 -6.915 1.497 414 HB ILE 52 HB ILE 52 5.887 -7.674 1.003 415 HG12 ILE 52 HG12 ILE 52 5.758 -5.256 1.063 416 HG13 ILE 52 HG11 ILE 52 5.828 -5.753 -0.626 417 HG21 ILE 52 HG21 ILE 52 3.496 -7.510 -0.854 418 HG22 ILE 52 HG22 ILE 52 4.149 -9.004 -0.183 419 HG23 ILE 52 HG23 ILE 52 5.121 -8.036 -1.290 420 HD11 ILE 52 HD11 ILE 52 3.223 -5.695 -0.516 421 HD12 ILE 52 HD12 ILE 52 4.092 -4.165 -0.609 422 HD13 ILE 52 HD13 ILE 52 3.467 -4.729 0.937 423 H TRP 53 HN TRP 53 1.924 -8.744 1.849 424 HA TRP 53 HA TRP 53 3.114 -10.810 3.600 425 HB2 TRP 53 HB2 TRP 53 0.368 -10.395 2.390 426 HB3 TRP 53 HB1 TRP 53 0.795 -11.831 3.322 427 HD1 TRP 53 HD1 TRP 53 -0.093 -8.192 3.685 428 HE1 TRP 53 HE1 TRP 53 -0.165 -7.564 6.185 429 HE3 TRP 53 HE3 TRP 53 1.937 -12.414 5.713 430 HZ2 TRP 53 HZ2 TRP 53 0.543 -8.707 8.713 431 HZ3 TRP 53 HZ3 TRP 53 2.224 -12.620 8.163 432 HH2 TRP 53 HH2 TRP 53 1.532 -10.774 9.665 433 H LYS 54 HN LYS 54 3.723 -12.830 2.887 434 HA LYS 54 HA LYS 54 4.431 -13.198 0.145 435 HB2 LYS 54 HB2 LYS 54 4.146 -15.177 2.423 436 HB3 LYS 54 HB1 LYS 54 4.834 -15.586 0.851 437 HG2 LYS 54 HG2 LYS 54 6.541 -13.802 1.158 438 HG3 LYS 54 HG1 LYS 54 5.869 -13.462 2.754 439 HD2 LYS 54 HD2 LYS 54 6.357 -15.779 3.455 440 HD3 LYS 54 HD1 LYS 54 7.046 -16.112 1.866 441 HE2 LYS 54 HE2 LYS 54 8.746 -14.366 2.222 442 HE3 LYS 54 HE1 LYS 54 8.056 -14.010 3.806 443 HZ1 LYS 54 HZ1 LYS 54 8.759 -16.013 4.661 444 HZ2 LYS 54 HZ2 LYS 54 10.049 -15.611 3.632 445 HZ3 LYS 54 HZ3 LYS 54 8.892 -16.754 3.142 446 H ASN 55 HN ASN 55 1.608 -14.201 2.022 447 HA ASN 55 HA ASN 55 0.479 -16.062 0.228 448 HB2 ASN 55 HB2 ASN 55 -1.650 -15.551 1.300 449 HB3 ASN 55 HB1 ASN 55 -0.375 -15.536 2.519 450 HD21 ASN 55 HD21 ASN 55 -2.572 -14.104 3.255 451 HD22 ASN 55 HD22 ASN 55 -2.313 -12.435 3.090 452 H ALA 56 HN ALA 56 0.900 -12.657 -0.137 453 HA ALA 56 HA ALA 56 -1.251 -12.175 -1.999 454 HB1 ALA 56 HB1 ALA 56 1.354 -10.654 -2.001 455 HB2 ALA 56 HB2 ALA 56 0.212 -10.479 -0.671 456 HB3 ALA 56 HB3 ALA 56 -0.277 -10.056 -2.310 457 H GLU 57 HN GLU 57 2.128 -13.164 -2.344 458 HA GLU 57 HA GLU 57 3.324 -13.943 -4.192 459 HB2 GLU 57 HB2 GLU 57 0.531 -14.795 -5.027 460 HB3 GLU 57 HB1 GLU 57 2.018 -15.334 -5.807 461 HG2 GLU 57 HG2 GLU 57 1.386 -15.716 -2.868 462 HG3 GLU 57 HG1 GLU 57 1.183 -16.959 -4.103 463 H LEU 58 HN LEU 58 2.773 -11.230 -4.241 464 HA LEU 58 HA LEU 58 2.026 -10.684 -7.070 465 HB2 LEU 58 HB2 LEU 58 2.269 -8.742 -4.768 466 HB3 LEU 58 HB1 LEU 58 1.646 -8.382 -6.379 467 HG LEU 58 HG LEU 58 0.440 -10.430 -4.498 468 HD11 LEU 58 HD11 LEU 58 0.242 -8.083 -3.671 469 HD12 LEU 58 HD12 LEU 58 -1.318 -8.787 -4.097 470 HD13 LEU 58 HD13 LEU 58 -0.537 -7.645 -5.191 471 HD21 LEU 58 HD21 LEU 58 -0.290 -9.372 -7.233 472 HD22 LEU 58 HD22 LEU 58 -1.527 -10.031 -6.165 473 HD23 LEU 58 HD23 LEU 58 -0.191 -11.047 -6.691 474 HA PRO 59 HA PRO 59 6.223 -9.745 -8.221 475 HB2 PRO 59 HB2 PRO 59 5.205 -7.152 -9.334 476 HB3 PRO 59 HB1 PRO 59 6.162 -8.420 -10.126 477 HG2 PRO 59 HG2 PRO 59 3.563 -8.124 -10.635 478 HG3 PRO 59 HG1 PRO 59 4.315 -9.728 -10.556 479 HD2 PRO 59 HD2 PRO 59 2.529 -8.388 -8.560 480 HD3 PRO 59 HD1 PRO 59 2.691 -10.106 -8.985 481 H LEU 60 HN LEU 60 8.014 -8.520 -7.513 482 HA LEU 60 HA LEU 60 7.696 -7.079 -5.044 483 HB2 LEU 60 HB2 LEU 60 10.107 -7.123 -6.881 484 HB3 LEU 60 HB1 LEU 60 10.100 -6.734 -5.159 485 HG LEU 60 HG LEU 60 9.340 -9.406 -6.376 486 HD11 LEU 60 HD11 LEU 60 11.753 -8.966 -6.454 487 HD12 LEU 60 HD12 LEU 60 11.398 -10.195 -5.241 488 HD13 LEU 60 HD13 LEU 60 11.745 -8.539 -4.743 489 HD21 LEU 60 HD21 LEU 60 8.045 -9.271 -4.419 490 HD22 LEU 60 HD22 LEU 60 9.251 -8.305 -3.566 491 HD23 LEU 60 HD23 LEU 60 9.522 -10.027 -3.829 492 H LEU 61 HN LEU 61 7.832 -4.898 -4.611 493 HA LEU 61 HA LEU 61 7.035 -3.103 -6.764 494 HB2 LEU 61 HB2 LEU 61 7.538 -2.796 -3.800 495 HB3 LEU 61 HB1 LEU 61 7.238 -1.389 -4.822 496 HG LEU 61 HG LEU 61 5.117 -2.459 -5.604 497 HD11 LEU 61 HD11 LEU 61 4.310 -4.366 -4.047 498 HD12 LEU 61 HD12 LEU 61 6.012 -4.569 -3.634 499 HD13 LEU 61 HD13 LEU 61 5.477 -4.780 -5.301 500 HD21 LEU 61 HD21 LEU 61 5.166 -0.854 -3.695 501 HD22 LEU 61 HD22 LEU 61 5.335 -2.217 -2.587 502 HD23 LEU 61 HD23 LEU 61 3.867 -2.038 -3.547 503 H GLU 62 HN GLU 62 8.272 -1.420 -7.648 504 HA GLU 62 HA GLU 62 11.214 -1.733 -7.312 505 HB2 GLU 62 HB2 GLU 62 10.255 -1.849 -9.590 506 HB3 GLU 62 HB1 GLU 62 9.643 -0.205 -9.399 507 HG2 GLU 62 HG2 GLU 62 11.907 0.654 -9.120 508 HG3 GLU 62 HG1 GLU 62 12.564 -0.982 -9.168 509 H GLN 63 HN GLN 63 12.539 -0.039 -6.761 510 HA GLN 63 HA GLN 63 11.361 2.066 -5.138 511 HB2 GLN 63 HB2 GLN 63 13.497 0.888 -4.585 512 HB3 GLN 63 HB1 GLN 63 14.246 1.675 -5.972 513 HG2 GLN 63 HG2 GLN 63 13.718 3.886 -5.003 514 HG3 GLN 63 HG1 GLN 63 12.980 3.094 -3.610 515 HE21 GLN 63 HE21 GLN 63 14.472 3.566 -1.951 516 HE22 GLN 63 HE22 GLN 63 16.121 3.174 -2.018 517 H GLY 64 HN GLY 64 11.186 4.227 -5.609 518 HA2 GLY 64 HA2 GLY 64 11.514 6.250 -6.801 519 HA3 GLY 64 HA1 GLY 64 12.505 5.375 -7.967 520 H GLU 65 HN GLU 65 9.566 3.777 -7.374 521 HA GLU 65 HA GLU 65 8.305 5.064 -9.779 522 HB2 GLU 65 HB2 GLU 65 8.493 2.131 -9.074 523 HB3 GLU 65 HB1 GLU 65 7.398 2.772 -10.301 524 HG2 GLU 65 HG2 GLU 65 9.319 3.760 -11.497 525 HG3 GLU 65 HG1 GLU 65 10.412 3.104 -10.277 526 H SER 66 HN SER 66 6.114 5.337 -9.745 527 HA SER 66 HA SER 66 4.845 5.236 -7.099 528 HB2 SER 66 HB2 SER 66 2.946 6.366 -8.396 529 HB3 SER 66 HB1 SER 66 4.458 7.262 -8.260 530 HG SER 66 HG SER 66 4.555 5.622 -10.374 531 H TYR 67 HN TYR 67 2.850 4.167 -6.694 532 HA TYR 67 HA TYR 67 1.946 2.190 -8.717 533 HB2 TYR 67 HB2 TYR 67 2.934 1.511 -5.936 534 HB3 TYR 67 HB1 TYR 67 1.920 0.427 -6.891 535 HD1 TYR 67 HD1 TYR 67 2.707 -0.228 -9.221 536 HD2 TYR 67 HD2 TYR 67 5.272 1.616 -6.319 537 HE1 TYR 67 HE1 TYR 67 4.693 -1.008 -10.486 538 HE2 TYR 67 HE2 TYR 67 7.261 0.831 -7.574 539 HH TYR 67 HH TYR 67 7.134 -1.525 -9.926 540 H LEU 68 HN LEU 68 -0.164 1.472 -8.386 541 HA LEU 68 HA LEU 68 -1.776 3.119 -6.475 542 HB2 LEU 68 HB2 LEU 68 -2.468 3.552 -8.729 543 HB3 LEU 68 HB1 LEU 68 -2.417 1.850 -9.150 544 HG LEU 68 HG LEU 68 -4.332 1.401 -7.703 545 HD11 LEU 68 HD11 LEU 68 -4.011 4.320 -7.000 546 HD12 LEU 68 HD12 LEU 68 -4.026 2.943 -5.900 547 HD13 LEU 68 HD13 LEU 68 -5.511 3.444 -6.705 548 HD21 LEU 68 HD21 LEU 68 -4.700 2.222 -10.037 549 HD22 LEU 68 HD22 LEU 68 -4.857 3.856 -9.391 550 HD23 LEU 68 HD23 LEU 68 -6.028 2.615 -8.945 551 H LEU 69 HN LEU 69 -2.611 2.024 -4.797 552 HA LEU 69 HA LEU 69 -2.705 -0.967 -4.902 553 HB2 LEU 69 HB2 LEU 69 -2.907 0.882 -2.505 554 HB3 LEU 69 HB1 LEU 69 -2.720 -0.869 -2.480 555 HG LEU 69 HG LEU 69 -0.707 1.084 -3.624 556 HD11 LEU 69 HD11 LEU 69 -0.793 1.220 -1.191 557 HD12 LEU 69 HD12 LEU 69 0.666 0.351 -1.668 558 HD13 LEU 69 HD13 LEU 69 -0.732 -0.537 -1.061 559 HD21 LEU 69 HD21 LEU 69 -0.831 -1.931 -3.432 560 HD22 LEU 69 HD22 LEU 69 0.722 -1.097 -3.486 561 HD23 LEU 69 HD23 LEU 69 -0.410 -0.931 -4.823 562 H ARG 70 HN ARG 70 -4.668 -1.964 -4.870 563 HA ARG 70 HA ARG 70 -7.076 -0.318 -4.166 564 HB2 ARG 70 HB2 ARG 70 -6.711 -2.232 -6.481 565 HB3 ARG 70 HB1 ARG 70 -8.288 -1.654 -5.938 566 HG2 ARG 70 HG2 ARG 70 -7.570 0.673 -6.300 567 HG3 ARG 70 HG1 ARG 70 -5.989 0.103 -6.821 568 HD2 ARG 70 HD2 ARG 70 -8.576 -0.693 -8.177 569 HD3 ARG 70 HD1 ARG 70 -7.567 0.650 -8.716 570 HE ARG 70 HE ARG 70 -5.899 -1.634 -8.521 571 HH11 ARG 70 HH21 ARG 70 -8.630 -0.458 -10.282 572 HH12 ARG 70 HH22 ARG 70 -8.261 -1.365 -11.711 573 HH21 ARG 70 HH11 ARG 70 -5.409 -2.816 -10.381 574 HH22 ARG 70 HH12 ARG 70 -6.441 -2.698 -11.767 575 H SER 71 HN SER 71 -8.676 -1.362 -3.042 576 HA SER 71 HA SER 71 -9.602 -2.911 -1.572 577 HB2 SER 71 HB2 SER 71 -10.109 -4.344 -3.360 578 HB3 SER 71 HB1 SER 71 -8.419 -4.684 -3.702 579 HG SER 71 HG SER 71 -9.015 -5.368 -1.173 580 H VAL 72 HN VAL 72 -7.589 -1.837 -0.313 581 HA VAL 72 HA VAL 72 -5.925 -4.114 0.745 582 HB VAL 72 HB VAL 72 -4.389 -2.209 1.538 583 HG11 VAL 72 HG11 VAL 72 -3.880 -3.757 -0.329 584 HG12 VAL 72 HG12 VAL 72 -3.240 -2.141 -0.618 585 HG13 VAL 72 HG13 VAL 72 -4.709 -2.667 -1.441 586 HG21 VAL 72 HG21 VAL 72 -5.887 -0.711 -0.633 587 HG22 VAL 72 HG22 VAL 72 -4.533 -0.113 0.327 588 HG23 VAL 72 HG23 VAL 72 -6.093 -0.413 1.093 589 H VAL 73 HN VAL 73 -5.419 -3.924 3.065 590 HA VAL 73 HA VAL 73 -7.616 -2.568 4.599 591 HB VAL 73 HB VAL 73 -7.800 -5.085 4.427 592 HG11 VAL 73 HG11 VAL 73 -5.398 -5.102 6.270 593 HG12 VAL 73 HG12 VAL 73 -5.263 -5.402 4.537 594 HG13 VAL 73 HG13 VAL 73 -6.221 -6.485 5.547 595 HG21 VAL 73 HG21 VAL 73 -8.371 -5.357 6.747 596 HG22 VAL 73 HG22 VAL 73 -8.688 -3.671 6.342 597 HG23 VAL 73 HG23 VAL 73 -7.231 -4.104 7.236 598 H VAL 74 HN VAL 74 -7.007 -1.388 6.348 599 HA VAL 74 HA VAL 74 -4.153 -0.866 6.715 600 HB VAL 74 HB VAL 74 -6.595 0.190 8.163 601 HG11 VAL 74 HG11 VAL 74 -4.913 2.031 8.781 602 HG12 VAL 74 HG12 VAL 74 -3.657 0.887 8.304 603 HG13 VAL 74 HG13 VAL 74 -4.750 0.494 9.632 604 HG21 VAL 74 HG21 VAL 74 -6.407 0.730 5.721 605 HG22 VAL 74 HG22 VAL 74 -4.834 1.461 6.043 606 HG23 VAL 74 HG23 VAL 74 -6.291 2.154 6.755 607 H GLY 75 HN GLY 75 -2.866 -1.809 8.209 608 HA2 GLY 75 HA2 GLY 75 -4.106 -3.647 10.197 609 HA3 GLY 75 HA1 GLY 75 -2.417 -3.660 9.696 610 H GLU 76 HN GLU 76 -3.049 -3.705 12.371 611 HA GLU 76 HA GLU 76 -2.808 -0.959 13.445 612 HB2 GLU 76 HB2 GLU 76 -3.009 -3.693 14.747 613 HB3 GLU 76 HB1 GLU 76 -2.873 -2.182 15.650 614 HG2 GLU 76 HG2 GLU 76 -4.931 -1.348 14.628 615 HG3 GLU 76 HG1 GLU 76 -5.050 -2.800 13.635 616 H TYR 77 HN TYR 77 -0.826 -0.069 13.834 617 HA TYR 77 HA TYR 77 1.479 -1.901 14.399 618 HB2 TYR 77 HB2 TYR 77 1.563 -1.187 12.023 619 HB3 TYR 77 HB1 TYR 77 1.551 0.498 12.545 620 HD1 TYR 77 HD2 TYR 77 3.475 -2.672 12.636 621 HD2 TYR 77 HD1 TYR 77 3.507 1.545 13.448 622 HE1 TYR 77 HE2 TYR 77 5.929 -2.758 12.982 623 HE2 TYR 77 HE1 TYR 77 5.960 1.460 13.795 624 HH TYR 77 HH TYR 77 7.825 0.168 13.412 625 H ASN 78 HN ASN 78 1.925 -1.414 16.457 626 HA ASN 78 HA ASN 78 2.223 -0.153 18.423 627 HB2 ASN 78 HB2 ASN 78 3.735 1.470 16.360 628 HB3 ASN 78 HB1 ASN 78 3.924 1.641 18.104 629 HD21 ASN 78 HD21 ASN 78 3.494 -1.405 18.374 630 HD22 ASN 78 HD22 ASN 78 4.994 -2.066 17.938 631 H ASP 79 HN ASP 79 2.792 2.917 17.529 632 HA ASP 79 HA ASP 79 0.091 3.794 18.358 633 HB2 ASP 79 HB2 ASP 79 2.732 5.234 17.995 634 HB3 ASP 79 HB1 ASP 79 1.235 6.053 18.444 635 H ARG 80 HN ARG 80 1.681 3.205 15.454 636 HA ARG 80 HA ARG 80 0.037 5.260 13.998 637 HB2 ARG 80 HB2 ARG 80 2.655 3.931 13.242 638 HB3 ARG 80 HB1 ARG 80 1.692 4.912 12.135 639 HG2 ARG 80 HG2 ARG 80 1.880 6.844 13.612 640 HG3 ARG 80 HG1 ARG 80 2.740 5.877 14.811 641 HD2 ARG 80 HD2 ARG 80 4.345 7.184 13.503 642 HD3 ARG 80 HD1 ARG 80 4.546 5.468 13.160 643 HE ARG 80 HE ARG 80 3.717 5.834 10.959 644 HH11 ARG 80 HH21 ARG 80 3.360 8.597 13.004 645 HH12 ARG 80 HH22 ARG 80 2.992 9.673 11.699 646 HH21 ARG 80 HH11 ARG 80 3.243 7.229 9.255 647 HH22 ARG 80 HH12 ARG 80 2.926 8.901 9.579 648 H PHE 81 HN PHE 81 -0.041 4.284 11.516 649 HA PHE 81 HA PHE 81 -1.153 1.504 11.729 650 HB2 PHE 81 HB2 PHE 81 -2.361 3.887 10.295 651 HB3 PHE 81 HB1 PHE 81 -2.948 2.230 10.171 652 HD1 PHE 81 HD1 PHE 81 -3.639 1.021 12.320 653 HD2 PHE 81 HD2 PHE 81 -3.027 5.267 12.098 654 HE1 PHE 81 HE1 PHE 81 -4.959 1.320 14.397 655 HE2 PHE 81 HE2 PHE 81 -4.347 5.566 14.175 656 HZ PHE 81 HZ PHE 81 -5.313 3.593 15.325 657 H GLN 82 HN GLN 82 -1.146 0.329 9.704 658 HA GLN 82 HA GLN 82 0.519 1.512 7.523 659 HB2 GLN 82 HB2 GLN 82 1.871 -0.549 7.398 660 HB3 GLN 82 HB1 GLN 82 2.072 0.245 8.959 661 HG2 GLN 82 HG2 GLN 82 0.408 -1.297 9.949 662 HG3 GLN 82 HG1 GLN 82 0.245 -2.110 8.392 663 HE21 GLN 82 HE21 GLN 82 1.326 -4.085 8.618 664 HE22 GLN 82 HE22 GLN 82 2.893 -4.259 9.246 665 H VAL 83 HN VAL 83 0.390 0.130 5.521 666 HA VAL 83 HA VAL 83 -2.346 -1.064 5.301 667 HB VAL 83 HB VAL 83 -2.123 -0.641 2.890 668 HG11 VAL 83 HG11 VAL 83 -2.379 1.727 3.004 669 HG12 VAL 83 HG12 VAL 83 -1.315 1.848 4.404 670 HG13 VAL 83 HG13 VAL 83 -2.914 1.121 4.571 671 HG21 VAL 83 HG21 VAL 83 0.215 -0.875 2.491 672 HG22 VAL 83 HG22 VAL 83 0.623 0.317 3.725 673 HG23 VAL 83 HG23 VAL 83 -0.128 0.832 2.214 674 H GLN 84 HN GLN 84 -2.557 -3.191 4.857 675 HA GLN 84 HA GLN 84 -0.053 -4.777 4.446 676 HB2 GLN 84 HB2 GLN 84 -2.819 -5.546 5.419 677 HB3 GLN 84 HB1 GLN 84 -1.517 -6.703 5.136 678 HG2 GLN 84 HG2 GLN 84 -0.093 -5.517 6.754 679 HG3 GLN 84 HG1 GLN 84 -1.376 -4.340 7.029 680 HE21 GLN 84 HE21 GLN 84 -0.883 -5.394 9.346 681 HE22 GLN 84 HE22 GLN 84 -1.887 -6.696 9.764 682 H VAL 85 HN VAL 85 0.310 -5.722 2.526 683 HA VAL 85 HA VAL 85 -1.802 -5.589 0.442 684 HB VAL 85 HB VAL 85 1.091 -6.441 0.163 685 HG11 VAL 85 HG11 VAL 85 -0.873 -5.344 -1.871 686 HG12 VAL 85 HG12 VAL 85 -0.556 -7.064 -1.647 687 HG13 VAL 85 HG13 VAL 85 0.735 -5.994 -2.190 688 HG21 VAL 85 HG21 VAL 85 1.029 -4.177 1.056 689 HG22 VAL 85 HG22 VAL 85 -0.207 -3.714 -0.113 690 HG23 VAL 85 HG23 VAL 85 1.425 -4.096 -0.661 691 H ASN 86 HN ASN 86 -2.876 -7.360 -0.213 692 HA ASN 86 HA ASN 86 -1.797 -10.073 0.452 693 HB2 ASN 86 HB2 ASN 86 -4.194 -10.742 0.909 694 HB3 ASN 86 HB1 ASN 86 -3.501 -9.654 2.110 695 HD21 ASN 86 HD21 ASN 86 -5.424 -8.551 2.736 696 HD22 ASN 86 HD22 ASN 86 -6.351 -7.615 1.665 697 H LYS 87 HN LYS 87 -3.273 -11.738 -0.803 698 HA LYS 87 HA LYS 87 -2.885 -11.320 -3.580 699 HB2 LYS 87 HB2 LYS 87 -4.458 -13.293 -3.826 700 HB3 LYS 87 HB1 LYS 87 -3.089 -13.562 -2.747 701 HG2 LYS 87 HG2 LYS 87 -4.533 -13.029 -0.803 702 HG3 LYS 87 HG1 LYS 87 -5.900 -12.805 -1.894 703 HD2 LYS 87 HD2 LYS 87 -5.633 -15.152 -2.669 704 HD3 LYS 87 HD1 LYS 87 -4.328 -15.367 -1.503 705 HE2 LYS 87 HE2 LYS 87 -7.150 -14.541 -0.763 706 HE3 LYS 87 HE1 LYS 87 -6.544 -16.194 -0.670 707 HZ1 LYS 87 HZ1 LYS 87 -5.804 -15.682 1.341 708 HZ2 LYS 87 HZ2 LYS 87 -6.152 -14.032 1.134 709 HZ3 LYS 87 HZ3 LYS 87 -4.663 -14.661 0.612 710 H ASN 88 HN ASN 88 -5.711 -10.759 -1.536 711 HA ASN 88 HA ASN 88 -7.595 -10.263 -3.621 712 HB2 ASN 88 HB2 ASN 88 -7.356 -9.387 -0.748 713 HB3 ASN 88 HB1 ASN 88 -8.677 -8.792 -1.756 714 HD21 ASN 88 HD21 ASN 88 -8.891 -10.622 0.583 715 HD22 ASN 88 HD22 ASN 88 -9.596 -12.051 -0.001 716 H SER 89 HN SER 89 -5.244 -8.155 -1.987 717 HA SER 89 HA SER 89 -6.178 -5.731 -3.234 718 HB2 SER 89 HB2 SER 89 -4.118 -4.741 -2.430 719 HB3 SER 89 HB1 SER 89 -4.749 -5.807 -1.178 720 HG SER 89 HG SER 89 -2.697 -6.355 -3.064 721 H SER 90 HN SER 90 -4.911 -4.489 -4.856 722 HA SER 90 HA SER 90 -3.429 -6.244 -6.786 723 HB2 SER 90 HB2 SER 90 -5.578 -4.196 -7.394 724 HB3 SER 90 HB1 SER 90 -4.546 -4.944 -8.610 725 HG SER 90 HG SER 90 -6.570 -6.056 -7.020 726 H ILE 91 HN ILE 91 -1.852 -5.165 -8.030 727 HA ILE 91 HA ILE 91 -1.105 -2.409 -7.103 728 HB ILE 91 HB ILE 91 0.701 -4.785 -7.642 729 HG12 ILE 91 HG12 ILE 91 0.323 -3.148 -5.124 730 HG13 ILE 91 HG11 ILE 91 -0.537 -4.656 -5.431 731 HG21 ILE 91 HG21 ILE 91 1.280 -1.863 -7.108 732 HG22 ILE 91 HG22 ILE 91 1.820 -2.838 -8.476 733 HG23 ILE 91 HG23 ILE 91 2.482 -3.131 -6.868 734 HD11 ILE 91 HD11 ILE 91 1.645 -4.808 -4.070 735 HD12 ILE 91 HD12 ILE 91 2.475 -4.493 -5.593 736 HD13 ILE 91 HD13 ILE 91 1.463 -5.927 -5.420 737 H GLU 92 HN GLU 92 -0.764 -0.995 -8.756 738 HA GLU 92 HA GLU 92 -0.314 -2.122 -11.511 739 HB2 GLU 92 HB2 GLU 92 -2.064 0.245 -10.786 740 HB3 GLU 92 HB1 GLU 92 -1.784 -0.384 -12.407 741 HG2 GLU 92 HG2 GLU 92 -3.044 -1.937 -10.132 742 HG3 GLU 92 HG1 GLU 92 -3.931 -1.185 -11.456 743 H LYS 93 HN LYS 93 1.264 -1.108 -12.673 744 HA LYS 93 HA LYS 93 2.960 0.814 -11.274 745 HB2 LYS 93 HB2 LYS 93 3.888 -0.972 -12.744 746 HB3 LYS 93 HB1 LYS 93 3.124 -0.191 -14.129 747 HG2 LYS 93 HG2 LYS 93 4.425 1.845 -13.741 748 HG3 LYS 93 HG1 LYS 93 5.147 1.133 -12.298 749 HD2 LYS 93 HD2 LYS 93 6.149 -0.653 -13.683 750 HD3 LYS 93 HD1 LYS 93 5.444 0.077 -15.127 751 HE2 LYS 93 HE2 LYS 93 6.717 2.143 -14.715 752 HE3 LYS 93 HE1 LYS 93 7.411 1.433 -13.258 753 HZ1 LYS 93 HZ1 LYS 93 8.592 -0.131 -14.498 754 HZ2 LYS 93 HZ2 LYS 93 8.778 1.314 -15.374 755 HZ3 LYS 93 HZ3 LYS 93 7.675 0.134 -15.900 756 H LEU 94 HN LEU 94 2.864 2.996 -11.470 757 HA LEU 94 HA LEU 94 0.960 4.134 -13.480 758 HB2 LEU 94 HB2 LEU 94 2.207 5.476 -11.073 759 HB3 LEU 94 HB1 LEU 94 0.854 6.062 -12.038 760 HG LEU 94 HG LEU 94 0.876 3.529 -10.371 761 HD11 LEU 94 HD11 LEU 94 -0.422 4.664 -8.780 762 HD12 LEU 94 HD12 LEU 94 -0.867 5.945 -9.906 763 HD13 LEU 94 HD13 LEU 94 0.766 5.881 -9.240 764 HD21 LEU 94 HD21 LEU 94 -0.605 3.084 -12.155 765 HD22 LEU 94 HD22 LEU 94 -1.151 4.759 -12.244 766 HD23 LEU 94 HD23 LEU 94 -1.669 3.731 -10.910 767 H SER 95 HN SER 95 1.674 5.481 -15.049 768 HA SER 95 HA SER 95 4.559 5.707 -15.490 769 HB2 SER 95 HB2 SER 95 2.167 6.761 -17.025 770 HB3 SER 95 HB1 SER 95 3.836 6.904 -17.567 771 HG SER 95 HG SER 95 3.488 4.997 -18.383 772 H GLU 96 HN GLU 96 2.305 7.413 -13.704 773 HA GLU 96 HA GLU 96 3.764 10.000 -14.036 774 HB2 GLU 96 HB2 GLU 96 1.647 10.858 -12.752 775 HB3 GLU 96 HB1 GLU 96 1.533 10.498 -14.475 776 HG2 GLU 96 HG2 GLU 96 0.585 8.315 -14.016 777 HG3 GLU 96 HG1 GLU 96 0.828 8.533 -12.282 778 HA PRO 97 HA PRO 97 5.154 8.811 -9.869 779 HB2 PRO 97 HB2 PRO 97 7.032 10.764 -9.519 780 HB3 PRO 97 HB1 PRO 97 7.312 9.332 -10.529 781 HG2 PRO 97 HG2 PRO 97 6.626 12.115 -11.343 782 HG3 PRO 97 HG1 PRO 97 7.708 10.946 -12.119 783 HD2 PRO 97 HD2 PRO 97 5.121 11.472 -12.967 784 HD3 PRO 97 HD1 PRO 97 5.994 9.961 -13.313 785 H ILE 98 HN ILE 98 5.156 9.864 -7.691 786 HA ILE 98 HA ILE 98 2.990 11.888 -7.538 787 HB ILE 98 HB ILE 98 4.388 10.512 -5.237 788 HG12 ILE 98 HG12 ILE 98 3.603 8.741 -6.678 789 HG13 ILE 98 HG11 ILE 98 2.455 8.891 -5.351 790 HG21 ILE 98 HG21 ILE 98 1.569 11.585 -5.510 791 HG22 ILE 98 HG22 ILE 98 2.907 12.519 -4.841 792 HG23 ILE 98 HG23 ILE 98 2.368 11.047 -4.033 793 HD11 ILE 98 HD11 ILE 98 2.145 9.811 -8.209 794 HD12 ILE 98 HD12 ILE 98 1.140 10.473 -6.920 795 HD13 ILE 98 HD13 ILE 98 1.092 8.749 -7.277 796 H GLU 99 HN GLU 99 3.431 13.988 -7.185 797 HA GLU 99 HA GLU 99 6.212 14.820 -6.712 798 HB2 GLU 99 HB2 GLU 99 3.638 16.356 -7.186 799 HB3 GLU 99 HB1 GLU 99 5.203 17.128 -6.941 800 HG2 GLU 99 HG2 GLU 99 5.065 16.994 -9.284 801 HG3 GLU 99 HG1 GLU 99 6.018 15.570 -8.880 802 H VAL 100 HN VAL 100 6.986 15.020 -4.708 803 HA VAL 100 HA VAL 100 5.095 15.560 -2.446 804 HB VAL 100 HB VAL 100 6.891 14.623 -1.016 805 HG11 VAL 100 HG11 VAL 100 5.174 13.112 -1.878 806 HG12 VAL 100 HG12 VAL 100 6.729 12.279 -1.867 807 HG13 VAL 100 HG13 VAL 100 6.075 12.905 -3.381 808 HG21 VAL 100 HG21 VAL 100 8.281 14.212 -3.683 809 HG22 VAL 100 HG22 VAL 100 8.799 13.471 -2.168 810 HG23 VAL 100 HG23 VAL 100 8.840 15.225 -2.351 811 H GLY 101 HN GLY 101 7.236 17.113 -4.460 812 HA2 GLY 101 HA2 GLY 101 7.302 19.614 -3.749 813 HA3 GLY 101 HA1 GLY 101 8.180 19.011 -2.344 814 H LEU 102 HN LEU 102 8.835 20.671 -4.910 815 HA LEU 102 HA LEU 102 11.075 19.090 -6.014 816 HB2 LEU 102 HB2 LEU 102 9.824 21.765 -6.634 817 HB3 LEU 102 HB1 LEU 102 11.389 21.330 -7.318 818 HG LEU 102 HG LEU 102 9.431 20.772 -8.801 819 HD11 LEU 102 HD11 LEU 102 10.451 18.882 -9.632 820 HD12 LEU 102 HD12 LEU 102 10.604 18.117 -8.055 821 HD13 LEU 102 HD13 LEU 102 11.728 19.389 -8.531 822 HD21 LEU 102 HD21 LEU 102 7.868 19.084 -8.178 823 HD22 LEU 102 HD22 LEU 102 7.987 20.143 -6.774 824 HD23 LEU 102 HD23 LEU 102 8.834 18.596 -6.786 825 H GLU 103 HN GLU 103 10.582 20.868 -3.298 826 HA GLU 103 HA GLU 103 12.020 21.831 -1.732 827 HB2 GLU 103 HB2 GLU 103 13.405 19.781 -2.310 828 HB3 GLU 103 HB1 GLU 103 14.281 20.784 -3.462 829 HG2 GLU 103 HG2 GLU 103 14.995 22.292 -1.703 830 HG3 GLU 103 HG1 GLU 103 14.018 21.423 -0.519 831 H HIS 104 HN HIS 104 12.061 22.668 -5.038 832 HA HIS 104 HA HIS 104 12.793 25.408 -4.362 833 HB2 HIS 104 HB2 HIS 104 14.634 25.523 -6.040 834 HB3 HIS 104 HB1 HIS 104 15.022 24.472 -4.679 835 HD1 HIS 104 HD1 HIS 104 15.042 21.899 -5.115 836 HD2 HIS 104 HD2 HIS 104 14.318 24.185 -8.525 837 HE1 HIS 104 HE1 HIS 104 15.330 20.345 -7.094 838 H HIS 105 HN HIS 105 12.300 26.878 -6.108 839 HA HIS 105 HA HIS 105 10.296 25.752 -8.005 840 HB2 HIS 105 HB2 HIS 105 9.626 27.643 -6.552 841 HB3 HIS 105 HB1 HIS 105 10.916 28.624 -7.248 842 HD1 HIS 105 HD1 HIS 105 8.049 26.501 -8.623 843 HD2 HIS 105 HD2 HIS 105 9.958 30.138 -9.332 844 HE1 HIS 105 HE1 HIS 105 6.835 27.579 -10.566 845 H HIS 106 HN HIS 106 10.873 25.472 -10.105 846 HA HIS 106 HA HIS 106 13.322 26.873 -11.122 847 HB2 HIS 106 HB2 HIS 106 13.447 25.065 -12.773 848 HB3 HIS 106 HB1 HIS 106 13.401 24.403 -11.141 849 HD1 HIS 106 HD1 HIS 106 10.927 23.581 -10.325 850 HD2 HIS 106 HD2 HIS 106 11.442 24.101 -14.430 851 HE1 HIS 106 HE1 HIS 106 9.042 22.316 -11.451 852 H HIS 107 HN HIS 107 13.262 27.723 -13.295 853 HA HIS 107 HA HIS 107 10.647 27.946 -14.634 854 HB2 HIS 107 HB2 HIS 107 10.762 30.440 -14.681 855 HB3 HIS 107 HB1 HIS 107 10.507 29.798 -13.060 856 HD1 HIS 107 HD1 HIS 107 12.737 29.627 -11.533 857 HD2 HIS 107 HD2 HIS 107 13.037 32.019 -14.935 858 HE1 HIS 107 HE1 HIS 107 14.772 31.097 -11.198 859 H HIS 108 HN HIS 108 10.871 28.972 -16.775 860 HA HIS 108 HA HIS 108 13.340 28.141 -18.069 861 HB2 HIS 108 HB2 HIS 108 10.885 29.580 -19.104 862 HB3 HIS 108 HB1 HIS 108 12.208 29.015 -20.125 863 HD1 HIS 108 HD1 HIS 108 12.622 26.381 -20.159 864 HD2 HIS 108 HD2 HIS 108 9.073 27.589 -18.337 865 HE1 HIS 108 HE1 HIS 108 11.175 24.312 -19.967 866 H HIS 109 HN HIS 109 15.015 29.411 -18.748 867 HA HIS 109 HA HIS 109 14.838 32.229 -19.234 868 HB2 HIS 109 HB2 HIS 109 14.669 32.329 -16.763 869 HB3 HIS 109 HB1 HIS 109 16.184 31.433 -16.632 870 HD1 HIS 109 HD1 HIS 109 18.286 32.795 -16.663 871 HD2 HIS 109 HD2 HIS 109 15.049 34.911 -18.219 872 HE1 HIS 109 HE1 HIS 109 19.123 35.138 -17.138 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -16.860 4.887 -13.160 2 H2 MET 1 HT2 MET 1 -16.982 3.421 -14.012 3 H3 MET 1 HT3 MET 1 -15.473 4.180 -13.831 4 HA MET 1 HA MET 1 -16.823 3.609 -11.344 5 HB2 MET 1 HB2 MET 1 -17.439 1.626 -12.725 6 HB3 MET 1 HB1 MET 1 -15.729 1.352 -13.058 7 HG2 MET 1 HG2 MET 1 -15.285 1.042 -10.669 8 HG3 MET 1 HG1 MET 1 -16.967 1.412 -10.290 9 HE1 MET 1 HE1 MET 1 -15.635 -0.967 -13.399 10 HE2 MET 1 HE2 MET 1 -15.162 -2.249 -12.287 11 HE3 MET 1 HE3 MET 1 -14.492 -0.632 -12.092 12 H GLU 2 HN GLU 2 -15.160 5.225 -10.911 13 HA GLU 2 HA GLU 2 -12.351 4.469 -11.312 14 HB2 GLU 2 HB2 GLU 2 -13.755 6.845 -10.083 15 HB3 GLU 2 HB1 GLU 2 -12.007 6.648 -9.964 16 HG2 GLU 2 HG2 GLU 2 -11.850 6.521 -12.422 17 HG3 GLU 2 HG1 GLU 2 -13.598 6.714 -12.542 18 HA PRO 3 HA PRO 3 -11.869 2.482 -7.376 19 HB2 PRO 3 HB2 PRO 3 -9.249 3.125 -6.777 20 HB3 PRO 3 HB1 PRO 3 -9.719 1.895 -7.968 21 HG2 PRO 3 HG2 PRO 3 -8.872 4.725 -8.408 22 HG3 PRO 3 HG1 PRO 3 -8.461 3.269 -9.332 23 HD2 PRO 3 HD2 PRO 3 -10.347 5.038 -10.183 24 HD3 PRO 3 HD1 PRO 3 -10.455 3.299 -10.530 25 H GLN 4 HN GLN 4 -11.939 2.920 -5.151 26 HA GLN 4 HA GLN 4 -12.537 5.688 -4.442 27 HB2 GLN 4 HB2 GLN 4 -12.395 3.147 -2.794 28 HB3 GLN 4 HB1 GLN 4 -12.944 4.704 -2.172 29 HG2 GLN 4 HG2 GLN 4 -14.949 3.619 -2.798 30 HG3 GLN 4 HG1 GLN 4 -14.614 4.681 -4.162 31 HE21 GLN 4 HE21 GLN 4 -14.883 1.335 -3.169 32 HE22 GLN 4 HE22 GLN 4 -14.578 0.656 -4.694 33 H LEU 5 HN LEU 5 -10.538 6.744 -4.743 34 HA LEU 5 HA LEU 5 -8.117 5.859 -3.396 35 HB2 LEU 5 HB2 LEU 5 -8.784 8.573 -4.569 36 HB3 LEU 5 HB1 LEU 5 -7.172 7.985 -4.159 37 HG LEU 5 HG LEU 5 -9.022 6.748 -6.221 38 HD11 LEU 5 HD11 LEU 5 -6.579 8.520 -6.440 39 HD12 LEU 5 HD12 LEU 5 -8.186 8.805 -7.109 40 HD13 LEU 5 HD13 LEU 5 -7.162 7.536 -7.783 41 HD21 LEU 5 HD21 LEU 5 -6.312 5.996 -5.123 42 HD22 LEU 5 HD22 LEU 5 -6.734 5.579 -6.784 43 HD23 LEU 5 HD23 LEU 5 -7.703 4.959 -5.452 44 H THR 6 HN THR 6 -7.124 6.840 -1.607 45 HA THR 6 HA THR 6 -8.727 8.765 -0.021 46 HB THR 6 HB THR 6 -9.271 6.328 0.629 47 HG1 THR 6 HG1 THR 6 -9.213 8.478 1.932 48 HG21 THR 6 HG21 THR 6 -6.773 5.698 0.528 49 HG22 THR 6 HG22 THR 6 -7.691 5.112 1.915 50 HG23 THR 6 HG23 THR 6 -6.632 6.512 2.087 51 H LYS 7 HN LYS 7 -7.472 9.793 1.633 52 HA LYS 7 HA LYS 7 -4.586 9.930 0.941 53 HB2 LYS 7 HB2 LYS 7 -6.356 11.733 2.609 54 HB3 LYS 7 HB1 LYS 7 -4.655 12.029 2.263 55 HG2 LYS 7 HG2 LYS 7 -5.518 13.229 0.485 56 HG3 LYS 7 HG1 LYS 7 -5.558 11.645 -0.284 57 HD2 LYS 7 HD2 LYS 7 -7.908 11.366 0.567 58 HD3 LYS 7 HD1 LYS 7 -7.842 13.030 1.148 59 HE2 LYS 7 HE2 LYS 7 -7.446 12.152 -1.725 60 HE3 LYS 7 HE1 LYS 7 -8.898 12.917 -1.075 61 HZ1 LYS 7 HZ1 LYS 7 -6.177 14.100 -1.151 62 HZ2 LYS 7 HZ2 LYS 7 -7.539 14.831 -0.447 63 HZ3 LYS 7 HZ3 LYS 7 -7.492 14.552 -2.122 64 H ILE 8 HN ILE 8 -3.025 10.059 2.656 65 HA ILE 8 HA ILE 8 -3.251 7.970 4.584 66 HB ILE 8 HB ILE 8 -1.347 10.314 4.384 67 HG12 ILE 8 HG12 ILE 8 -0.955 7.385 3.697 68 HG13 ILE 8 HG11 ILE 8 -1.407 8.610 2.513 69 HG21 ILE 8 HG21 ILE 8 0.104 8.766 5.840 70 HG22 ILE 8 HG22 ILE 8 -1.388 7.900 6.204 71 HG23 ILE 8 HG23 ILE 8 -1.221 9.598 6.649 72 HD11 ILE 8 HD11 ILE 8 0.677 9.903 3.327 73 HD12 ILE 8 HD12 ILE 8 0.950 8.471 2.336 74 HD13 ILE 8 HD13 ILE 8 1.161 8.386 4.084 75 H VAL 9 HN VAL 9 -3.545 11.496 4.862 76 HA VAL 9 HA VAL 9 -3.907 11.584 7.699 77 HB VAL 9 HB VAL 9 -3.442 13.572 6.259 78 HG11 VAL 9 HG11 VAL 9 -5.083 12.855 4.457 79 HG12 VAL 9 HG12 VAL 9 -5.177 14.554 4.918 80 HG13 VAL 9 HG13 VAL 9 -6.377 13.411 5.520 81 HG21 VAL 9 HG21 VAL 9 -4.383 13.837 8.541 82 HG22 VAL 9 HG22 VAL 9 -6.011 13.768 7.864 83 HG23 VAL 9 HG23 VAL 9 -4.939 15.107 7.454 84 H ASP 10 HN ASP 10 -6.070 10.805 5.061 85 HA ASP 10 HA ASP 10 -8.518 11.033 6.632 86 HB2 ASP 10 HB2 ASP 10 -7.861 9.673 4.004 87 HB3 ASP 10 HB1 ASP 10 -9.487 9.721 4.690 88 H ILE 11 HN ILE 11 -6.005 8.705 6.318 89 HA ILE 11 HA ILE 11 -7.675 6.444 7.205 90 HB ILE 11 HB ILE 11 -4.693 6.714 6.737 91 HG12 ILE 11 HG12 ILE 11 -6.820 5.196 5.195 92 HG13 ILE 11 HG11 ILE 11 -6.238 6.795 4.745 93 HG21 ILE 11 HG21 ILE 11 -4.984 5.007 8.402 94 HG22 ILE 11 HG22 ILE 11 -4.778 4.177 6.862 95 HG23 ILE 11 HG23 ILE 11 -6.386 4.344 7.565 96 HD11 ILE 11 HD11 ILE 11 -3.878 5.739 4.783 97 HD12 ILE 11 HD12 ILE 11 -4.936 5.322 3.435 98 HD13 ILE 11 HD13 ILE 11 -4.718 4.190 4.770 99 H VAL 12 HN VAL 12 -8.254 6.382 9.281 100 HA VAL 12 HA VAL 12 -6.219 6.622 11.388 101 HB VAL 12 HB VAL 12 -7.628 8.253 12.691 102 HG11 VAL 12 HG11 VAL 12 -6.728 10.179 11.620 103 HG12 VAL 12 HG12 VAL 12 -6.803 9.423 10.029 104 HG13 VAL 12 HG13 VAL 12 -5.621 8.869 11.213 105 HG21 VAL 12 HG21 VAL 12 -9.202 9.655 11.236 106 HG22 VAL 12 HG22 VAL 12 -9.778 8.044 11.657 107 HG23 VAL 12 HG23 VAL 12 -9.116 8.353 10.053 108 H GLU 13 HN GLU 13 -8.351 4.788 10.075 109 HA GLU 13 HA GLU 13 -9.580 3.862 12.655 110 HB2 GLU 13 HB2 GLU 13 -10.805 3.934 9.887 111 HB3 GLU 13 HB1 GLU 13 -11.501 3.044 11.243 112 HG2 GLU 13 HG2 GLU 13 -11.658 5.121 12.548 113 HG3 GLU 13 HG1 GLU 13 -10.921 6.021 11.222 114 H ASN 14 HN ASN 14 -9.349 1.715 13.092 115 HA ASN 14 HA ASN 14 -7.490 0.177 11.482 116 HB2 ASN 14 HB2 ASN 14 -9.057 -0.364 14.002 117 HB3 ASN 14 HB1 ASN 14 -8.041 -1.588 13.253 118 HD21 ASN 14 HD21 ASN 14 -5.930 0.230 12.349 119 HD22 ASN 14 HD22 ASN 14 -5.129 0.789 13.733 120 H GLY 15 HN GLY 15 -7.912 -1.517 10.154 121 HA2 GLY 15 HA2 GLY 15 -9.131 -3.186 9.021 122 HA3 GLY 15 HA1 GLY 15 -10.506 -2.855 10.073 123 H GLN 16 HN GLN 16 -9.259 -0.015 8.689 124 HA GLN 16 HA GLN 16 -11.675 0.404 7.155 125 HB2 GLN 16 HB2 GLN 16 -10.451 2.273 8.180 126 HB3 GLN 16 HB1 GLN 16 -9.074 1.956 7.124 127 HG2 GLN 16 HG2 GLN 16 -10.371 2.490 5.156 128 HG3 GLN 16 HG1 GLN 16 -11.856 2.588 6.103 129 HE21 GLN 16 HE21 GLN 16 -9.731 4.583 4.605 130 HE22 GLN 16 HE22 GLN 16 -9.795 5.926 5.639 131 H TRP 17 HN TRP 17 -12.089 -0.061 5.087 132 HA TRP 17 HA TRP 17 -9.901 -1.230 3.423 133 HB2 TRP 17 HB2 TRP 17 -12.912 -1.491 3.364 134 HB3 TRP 17 HB1 TRP 17 -11.877 -2.093 2.067 135 HD1 TRP 17 HD1 TRP 17 -12.773 -2.692 5.725 136 HE1 TRP 17 HE1 TRP 17 -11.857 -4.993 6.442 137 HE3 TRP 17 HE3 TRP 17 -10.040 -3.882 1.580 138 HZ2 TRP 17 HZ2 TRP 17 -10.186 -7.065 5.393 139 HZ3 TRP 17 HZ3 TRP 17 -8.798 -6.023 1.464 140 HH2 TRP 17 HH2 TRP 17 -8.867 -7.615 3.365 141 H ALA 18 HN ALA 18 -9.238 -0.167 1.628 142 HA ALA 18 HA ALA 18 -10.914 1.428 -0.045 143 HB1 ALA 18 HB1 ALA 18 -9.345 2.944 2.048 144 HB2 ALA 18 HB2 ALA 18 -11.053 3.102 1.644 145 HB3 ALA 18 HB3 ALA 18 -9.826 3.686 0.523 146 H ASN 19 HN ASN 19 -9.429 2.965 -1.444 147 HA ASN 19 HA ASN 19 -6.983 1.385 -2.138 148 HB2 ASN 19 HB2 ASN 19 -8.479 3.424 -3.808 149 HB3 ASN 19 HB1 ASN 19 -7.187 2.359 -4.356 150 HD21 ASN 19 HD21 ASN 19 -8.792 0.404 -2.277 151 HD22 ASN 19 HD22 ASN 19 -9.936 -0.280 -3.329 152 H LEU 20 HN LEU 20 -4.997 2.442 -2.370 153 HA LEU 20 HA LEU 20 -4.902 5.369 -1.831 154 HB2 LEU 20 HB2 LEU 20 -4.628 4.289 0.342 155 HB3 LEU 20 HB1 LEU 20 -3.328 3.287 -0.302 156 HG LEU 20 HG LEU 20 -2.927 6.198 -0.775 157 HD11 LEU 20 HD11 LEU 20 -3.889 6.511 1.376 158 HD12 LEU 20 HD12 LEU 20 -2.143 6.531 1.622 159 HD13 LEU 20 HD13 LEU 20 -3.077 5.090 2.031 160 HD21 LEU 20 HD21 LEU 20 -1.204 4.033 0.485 161 HD22 LEU 20 HD22 LEU 20 -0.650 5.639 0.019 162 HD23 LEU 20 HD23 LEU 20 -1.183 4.499 -1.215 163 H LYS 21 HN LYS 21 -3.383 6.379 -3.025 164 HA LYS 21 HA LYS 21 -1.446 4.687 -4.574 165 HB2 LYS 21 HB2 LYS 21 -3.155 5.932 -5.917 166 HB3 LYS 21 HB1 LYS 21 -2.500 7.436 -5.272 167 HG2 LYS 21 HG2 LYS 21 -0.339 7.004 -6.257 168 HG3 LYS 21 HG1 LYS 21 -0.826 5.379 -6.731 169 HD2 LYS 21 HD2 LYS 21 -0.937 6.862 -8.672 170 HD3 LYS 21 HD1 LYS 21 -2.559 6.345 -8.222 171 HE2 LYS 21 HE2 LYS 21 -2.191 8.856 -8.741 172 HE3 LYS 21 HE1 LYS 21 -3.099 8.445 -7.288 173 HZ1 LYS 21 HZ1 LYS 21 -0.182 8.979 -7.334 174 HZ2 LYS 21 HZ2 LYS 21 -1.160 8.762 -5.963 175 HZ3 LYS 21 HZ3 LYS 21 -1.352 10.141 -6.938 176 H ALA 22 HN ALA 22 0.708 5.190 -4.443 177 HA ALA 22 HA ALA 22 1.591 7.770 -3.364 178 HB1 ALA 22 HB1 ALA 22 2.761 6.792 -1.406 179 HB2 ALA 22 HB2 ALA 22 1.973 5.248 -1.733 180 HB3 ALA 22 HB3 ALA 22 1.010 6.650 -1.274 181 H LYS 23 HN LYS 23 4.100 7.503 -2.850 182 HA LYS 23 HA LYS 23 5.287 5.961 -5.130 183 HB2 LYS 23 HB2 LYS 23 5.368 8.431 -5.358 184 HB3 LYS 23 HB1 LYS 23 6.283 8.510 -3.852 185 HG2 LYS 23 HG2 LYS 23 8.077 7.177 -4.826 186 HG3 LYS 23 HG1 LYS 23 7.150 6.968 -6.313 187 HD2 LYS 23 HD2 LYS 23 7.180 9.413 -6.673 188 HD3 LYS 23 HD1 LYS 23 8.124 9.615 -5.198 189 HE2 LYS 23 HE2 LYS 23 9.940 8.277 -6.144 190 HE3 LYS 23 HE1 LYS 23 8.994 7.989 -7.605 191 HZ1 LYS 23 HZ1 LYS 23 9.130 10.758 -7.019 192 HZ2 LYS 23 HZ2 LYS 23 9.625 9.933 -8.420 193 HZ3 LYS 23 HZ3 LYS 23 10.691 10.105 -7.108 194 H VAL 24 HN VAL 24 7.007 4.655 -4.747 195 HA VAL 24 HA VAL 24 7.534 3.923 -1.973 196 HB VAL 24 HB VAL 24 8.732 2.990 -4.589 197 HG11 VAL 24 HG11 VAL 24 9.504 1.038 -3.145 198 HG12 VAL 24 HG12 VAL 24 9.134 2.039 -1.742 199 HG13 VAL 24 HG13 VAL 24 10.370 2.551 -2.889 200 HG21 VAL 24 HG21 VAL 24 6.253 2.550 -3.986 201 HG22 VAL 24 HG22 VAL 24 6.884 1.492 -2.724 202 HG23 VAL 24 HG23 VAL 24 7.239 1.152 -4.417 203 H ILE 25 HN ILE 25 9.131 4.649 -0.711 204 HA ILE 25 HA ILE 25 11.238 6.407 -1.890 205 HB ILE 25 HB ILE 25 10.279 6.028 0.961 206 HG12 ILE 25 HG12 ILE 25 10.109 8.461 -0.840 207 HG13 ILE 25 HG11 ILE 25 8.796 7.302 -0.649 208 HG21 ILE 25 HG21 ILE 25 11.778 8.104 1.299 209 HG22 ILE 25 HG22 ILE 25 12.525 7.659 -0.236 210 HG23 ILE 25 HG23 ILE 25 12.586 6.546 1.131 211 HD11 ILE 25 HD11 ILE 25 8.922 9.478 0.874 212 HD12 ILE 25 HD12 ILE 25 10.008 8.477 1.832 213 HD13 ILE 25 HD13 ILE 25 8.353 7.945 1.534 214 H GLN 26 HN GLN 26 10.871 3.861 0.607 215 HA GLN 26 HA GLN 26 13.427 2.677 -0.305 216 HB2 GLN 26 HB2 GLN 26 13.987 4.321 1.508 217 HB3 GLN 26 HB1 GLN 26 12.935 3.416 2.594 218 HG2 GLN 26 HG2 GLN 26 15.235 2.696 2.927 219 HG3 GLN 26 HG1 GLN 26 14.326 1.380 2.190 220 HE21 GLN 26 HE21 GLN 26 16.033 0.394 0.988 221 HE22 GLN 26 HE22 GLN 26 16.881 1.194 -0.246 222 H LEU 27 HN LEU 27 13.626 0.498 0.235 223 HA LEU 27 HA LEU 27 11.434 -0.803 1.745 224 HB2 LEU 27 HB2 LEU 27 10.955 -2.403 0.009 225 HB3 LEU 27 HB1 LEU 27 10.817 -0.798 -0.699 226 HG LEU 27 HG LEU 27 13.209 -2.657 -0.949 227 HD11 LEU 27 HD11 LEU 27 11.213 -1.686 -3.013 228 HD12 LEU 27 HD12 LEU 27 11.215 -3.293 -2.287 229 HD13 LEU 27 HD13 LEU 27 12.563 -2.782 -3.302 230 HD21 LEU 27 HD21 LEU 27 14.175 -0.521 -1.040 231 HD22 LEU 27 HD22 LEU 27 12.737 0.216 -1.747 232 HD23 LEU 27 HD23 LEU 27 13.787 -0.801 -2.733 233 H TRP 28 HN TRP 28 12.140 -2.485 2.954 234 HA TRP 28 HA TRP 28 14.961 -3.425 2.530 235 HB2 TRP 28 HB2 TRP 28 13.506 -3.242 5.179 236 HB3 TRP 28 HB1 TRP 28 15.218 -3.574 4.915 237 HD1 TRP 28 HD1 TRP 28 16.305 -1.443 3.180 238 HE1 TRP 28 HE1 TRP 28 16.198 1.071 3.741 239 HE3 TRP 28 HE3 TRP 28 12.420 -1.441 6.496 240 HZ2 TRP 28 HZ2 TRP 28 14.668 2.848 5.377 241 HZ3 TRP 28 HZ3 TRP 28 11.660 0.675 7.540 242 HH2 TRP 28 HH2 TRP 28 12.778 2.817 6.985 243 H GLU 29 HN GLU 29 14.888 -5.457 1.798 244 HA GLU 29 HA GLU 29 12.630 -7.203 2.013 245 HB2 GLU 29 HB2 GLU 29 14.149 -8.936 1.139 246 HB3 GLU 29 HB1 GLU 29 14.355 -7.426 0.250 247 HG2 GLU 29 HG2 GLU 29 16.303 -6.872 1.713 248 HG3 GLU 29 HG1 GLU 29 16.128 -8.440 2.497 249 H ASN 30 HN ASN 30 12.297 -9.000 3.352 250 HA ASN 30 HA ASN 30 14.108 -9.292 5.718 251 HB2 ASN 30 HB2 ASN 30 12.268 -9.276 7.232 252 HB3 ASN 30 HB1 ASN 30 11.973 -7.909 6.160 253 HD21 ASN 30 HD21 ASN 30 10.679 -8.776 4.009 254 HD22 ASN 30 HD22 ASN 30 9.332 -9.737 4.371 255 H THR 31 HN THR 31 11.515 -10.676 3.726 256 HA THR 31 HA THR 31 10.828 -12.925 3.480 257 HB THR 31 HB THR 31 12.427 -14.126 2.285 258 HG1 THR 31 HG1 THR 31 14.769 -13.610 2.927 259 HG21 THR 31 HG21 THR 31 13.686 -12.575 1.010 260 HG22 THR 31 HG22 THR 31 13.875 -11.481 2.380 261 HG23 THR 31 HG23 THR 31 12.304 -11.650 1.598 262 H HIS 32 HN HIS 32 10.736 -12.347 6.117 263 HA HIS 32 HA HIS 32 12.343 -13.959 7.846 264 HB2 HIS 32 HB2 HIS 32 10.896 -12.105 8.647 265 HB3 HIS 32 HB1 HIS 32 9.471 -13.048 8.213 266 HD1 HIS 32 HD1 HIS 32 12.641 -13.757 10.238 267 HD2 HIS 32 HD2 HIS 32 8.518 -14.341 10.450 268 HE1 HIS 32 HE1 HIS 32 12.201 -14.979 12.411 269 H GLU 33 HN GLU 33 9.140 -14.543 6.408 270 HA GLU 33 HA GLU 33 9.597 -17.330 5.960 271 HB2 GLU 33 HB2 GLU 33 8.181 -18.320 7.686 272 HB3 GLU 33 HB1 GLU 33 9.469 -17.407 8.467 273 HG2 GLU 33 HG2 GLU 33 7.800 -15.437 8.511 274 HG3 GLU 33 HG1 GLU 33 6.567 -16.643 8.138 275 H SER 34 HN SER 34 7.068 -14.985 6.865 276 HA SER 34 HA SER 34 5.441 -15.944 4.527 277 HB2 SER 34 HB2 SER 34 3.442 -15.486 5.783 278 HB3 SER 34 HB1 SER 34 4.486 -16.443 6.831 279 HG SER 34 HG SER 34 3.850 -13.711 6.919 280 H ILE 35 HN ILE 35 7.215 -13.401 5.837 281 HA ILE 35 HA ILE 35 5.612 -11.335 4.374 282 HB ILE 35 HB ILE 35 7.810 -10.974 6.428 283 HG12 ILE 35 HG12 ILE 35 4.827 -10.477 6.672 284 HG13 ILE 35 HG11 ILE 35 5.611 -11.949 7.243 285 HG21 ILE 35 HG21 ILE 35 7.780 -9.070 4.979 286 HG22 ILE 35 HG22 ILE 35 6.838 -8.601 6.392 287 HG23 ILE 35 HG23 ILE 35 6.021 -9.069 4.901 288 HD11 ILE 35 HD11 ILE 35 5.349 -10.290 9.066 289 HD12 ILE 35 HD12 ILE 35 6.313 -9.138 8.141 290 HD13 ILE 35 HD13 ILE 35 7.047 -10.628 8.733 291 H SER 36 HN SER 36 6.366 -10.599 2.504 292 HA SER 36 HA SER 36 8.856 -11.551 1.358 293 HB2 SER 36 HB2 SER 36 7.004 -9.340 0.434 294 HB3 SER 36 HB1 SER 36 8.243 -10.120 -0.544 295 HG SER 36 HG SER 36 5.724 -10.899 -0.013 296 H GLN 37 HN GLN 37 7.812 -8.157 1.560 297 HA GLN 37 HA GLN 37 10.364 -7.422 2.881 298 HB2 GLN 37 HB2 GLN 37 10.845 -5.707 1.163 299 HB3 GLN 37 HB1 GLN 37 10.888 -7.335 0.483 300 HG2 GLN 37 HG2 GLN 37 8.555 -7.042 -0.316 301 HG3 GLN 37 HG1 GLN 37 8.568 -5.390 0.305 302 HE21 GLN 37 HE21 GLN 37 8.197 -4.855 -2.102 303 HE22 GLN 37 HE22 GLN 37 9.566 -4.728 -3.097 304 H VAL 38 HN VAL 38 10.351 -5.140 3.569 305 HA VAL 38 HA VAL 38 7.601 -3.979 3.805 306 HB VAL 38 HB VAL 38 8.090 -3.397 6.147 307 HG11 VAL 38 HG11 VAL 38 8.614 -6.348 5.769 308 HG12 VAL 38 HG12 VAL 38 7.048 -5.628 5.408 309 HG13 VAL 38 HG13 VAL 38 7.692 -5.558 7.047 310 HG21 VAL 38 HG21 VAL 38 10.467 -3.228 6.223 311 HG22 VAL 38 HG22 VAL 38 10.682 -4.841 5.542 312 HG23 VAL 38 HG23 VAL 38 10.086 -4.651 7.192 313 H GLY 39 HN GLY 39 7.606 -1.675 4.238 314 HA2 GLY 39 HA2 GLY 39 9.975 -0.072 4.243 315 HA3 GLY 39 HA1 GLY 39 9.399 -0.230 2.584 316 H LEU 40 HN LEU 40 9.045 2.110 2.722 317 HA LEU 40 HA LEU 40 6.332 2.691 3.804 318 HB2 LEU 40 HB2 LEU 40 7.011 4.722 4.878 319 HB3 LEU 40 HB1 LEU 40 8.110 3.467 5.434 320 HG LEU 40 HG LEU 40 8.698 5.477 3.227 321 HD11 LEU 40 HD11 LEU 40 8.702 6.285 5.628 322 HD12 LEU 40 HD12 LEU 40 10.230 6.467 4.767 323 HD13 LEU 40 HD13 LEU 40 10.020 5.152 5.924 324 HD21 LEU 40 HD21 LEU 40 10.161 3.044 4.258 325 HD22 LEU 40 HD22 LEU 40 11.075 4.413 3.627 326 HD23 LEU 40 HD23 LEU 40 9.923 3.575 2.592 327 H LEU 41 HN LEU 41 5.175 4.254 2.686 328 HA LEU 41 HA LEU 41 6.330 4.972 0.014 329 HB2 LEU 41 HB2 LEU 41 3.412 4.915 0.808 330 HB3 LEU 41 HB1 LEU 41 4.090 4.990 -0.816 331 HG LEU 41 HG LEU 41 4.434 2.662 1.090 332 HD11 LEU 41 HD11 LEU 41 2.807 2.752 -1.457 333 HD12 LEU 41 HD12 LEU 41 2.100 3.076 0.126 334 HD13 LEU 41 HD13 LEU 41 2.812 1.499 -0.215 335 HD21 LEU 41 HD21 LEU 41 6.309 2.690 -0.369 336 HD22 LEU 41 HD22 LEU 41 5.334 3.220 -1.741 337 HD23 LEU 41 HD23 LEU 41 5.178 1.574 -1.131 338 H GLY 42 HN GLY 42 6.518 7.074 -0.499 339 HA2 GLY 42 HA2 GLY 42 5.957 9.097 1.541 340 HA3 GLY 42 HA1 GLY 42 6.766 9.369 0.001 341 H ASP 43 HN ASP 43 4.806 11.109 0.967 342 HA ASP 43 HA ASP 43 3.050 11.265 -1.296 343 HB2 ASP 43 HB2 ASP 43 1.906 9.423 -0.057 344 HB3 ASP 43 HB1 ASP 43 1.725 10.500 1.325 345 H GLU 44 HN GLU 44 2.129 13.299 -1.409 346 HA GLU 44 HA GLU 44 3.251 15.436 0.048 347 HB2 GLU 44 HB2 GLU 44 0.621 15.249 -1.452 348 HB3 GLU 44 HB1 GLU 44 1.315 16.766 -0.879 349 HG2 GLU 44 HG2 GLU 44 3.326 16.382 -2.237 350 HG3 GLU 44 HG1 GLU 44 2.683 14.831 -2.773 351 H THR 45 HN THR 45 0.833 13.214 1.015 352 HA THR 45 HA THR 45 -0.312 15.037 3.060 353 HB THR 45 HB THR 45 -1.899 13.249 3.480 354 HG1 THR 45 HG1 THR 45 0.054 11.787 2.152 355 HG21 THR 45 HG21 THR 45 -1.317 13.602 0.527 356 HG22 THR 45 HG22 THR 45 -2.361 14.617 1.521 357 HG23 THR 45 HG23 THR 45 -2.818 12.950 1.179 358 H GLY 46 HN GLY 46 2.251 12.831 2.736 359 HA2 GLY 46 HA2 GLY 46 3.630 13.043 4.969 360 HA3 GLY 46 HA1 GLY 46 2.255 12.180 5.655 361 H ILE 47 HN ILE 47 3.680 10.449 6.210 362 HA ILE 47 HA ILE 47 4.419 8.690 3.895 363 HB ILE 47 HB ILE 47 6.339 7.905 5.238 364 HG12 ILE 47 HG12 ILE 47 5.598 10.146 7.156 365 HG13 ILE 47 HG11 ILE 47 5.328 8.436 7.485 366 HG21 ILE 47 HG21 ILE 47 6.266 10.922 4.952 367 HG22 ILE 47 HG22 ILE 47 6.592 9.791 3.643 368 HG23 ILE 47 HG23 ILE 47 7.711 9.913 4.996 369 HD11 ILE 47 HD11 ILE 47 7.420 9.129 8.523 370 HD12 ILE 47 HD12 ILE 47 8.006 9.765 6.986 371 HD13 ILE 47 HD13 ILE 47 7.770 8.029 7.190 372 H ILE 48 HN ILE 48 4.150 6.452 4.239 373 HA ILE 48 HA ILE 48 2.894 5.598 6.789 374 HB ILE 48 HB ILE 48 1.071 6.274 5.149 375 HG12 ILE 48 HG12 ILE 48 1.121 3.333 5.886 376 HG13 ILE 48 HG11 ILE 48 0.812 4.623 7.047 377 HG21 ILE 48 HG21 ILE 48 0.655 4.931 3.226 378 HG22 ILE 48 HG22 ILE 48 1.844 3.724 3.719 379 HG23 ILE 48 HG23 ILE 48 2.376 5.310 3.162 380 HD11 ILE 48 HD11 ILE 48 -1.117 5.371 5.712 381 HD12 ILE 48 HD12 ILE 48 -1.297 3.685 6.199 382 HD13 ILE 48 HD13 ILE 48 -0.814 4.080 4.549 383 H LYS 49 HN LYS 49 3.318 3.486 7.295 384 HA LYS 49 HA LYS 49 5.408 2.158 5.727 385 HB2 LYS 49 HB2 LYS 49 4.086 1.477 8.348 386 HB3 LYS 49 HB1 LYS 49 5.394 0.536 7.625 387 HG2 LYS 49 HG2 LYS 49 6.831 2.550 7.614 388 HG3 LYS 49 HG1 LYS 49 5.531 3.474 8.367 389 HD2 LYS 49 HD2 LYS 49 5.572 1.943 10.303 390 HD3 LYS 49 HD1 LYS 49 6.886 1.042 9.551 391 HE2 LYS 49 HE2 LYS 49 8.314 3.035 9.596 392 HE3 LYS 49 HE1 LYS 49 7.001 3.977 10.301 393 HZ1 LYS 49 HZ1 LYS 49 7.573 3.255 12.298 394 HZ2 LYS 49 HZ2 LYS 49 8.885 2.410 11.623 395 HZ3 LYS 49 HZ3 LYS 49 7.382 1.639 11.817 396 H PHE 50 HN PHE 50 5.240 -0.069 5.013 397 HA PHE 50 HA PHE 50 2.486 -1.177 4.827 398 HB2 PHE 50 HB2 PHE 50 2.551 -1.424 2.447 399 HB3 PHE 50 HB1 PHE 50 2.974 0.253 2.777 400 HD1 PHE 50 HD2 PHE 50 5.308 1.041 2.521 401 HD2 PHE 50 HD1 PHE 50 4.192 -3.003 1.607 402 HE1 PHE 50 HE2 PHE 50 7.445 0.729 1.296 403 HE2 PHE 50 HE1 PHE 50 6.325 -3.317 0.383 404 HZ PHE 50 HZ PHE 50 7.954 -1.454 0.227 405 H THR 51 HN THR 51 2.456 -3.423 4.424 406 HA THR 51 HA THR 51 5.092 -4.831 4.447 407 HB THR 51 HB THR 51 2.706 -5.400 6.231 408 HG1 THR 51 HG1 THR 51 4.452 -3.739 6.673 409 HG21 THR 51 HG21 THR 51 5.168 -7.000 5.554 410 HG22 THR 51 HG22 THR 51 3.492 -7.537 5.663 411 HG23 THR 51 HG23 THR 51 4.395 -7.166 7.131 412 H ILE 52 HN ILE 52 5.188 -6.325 2.889 413 HA ILE 52 HA ILE 52 2.692 -7.073 1.458 414 HB ILE 52 HB ILE 52 5.623 -7.465 0.807 415 HG12 ILE 52 HG12 ILE 52 3.506 -5.814 -0.602 416 HG13 ILE 52 HG11 ILE 52 4.591 -5.150 0.621 417 HG21 ILE 52 HG21 ILE 52 4.504 -9.341 -0.153 418 HG22 ILE 52 HG22 ILE 52 4.653 -8.166 -1.461 419 HG23 ILE 52 HG23 ILE 52 3.113 -8.363 -0.623 420 HD11 ILE 52 HD11 ILE 52 5.545 -4.726 -1.576 421 HD12 ILE 52 HD12 ILE 52 5.394 -6.429 -2.007 422 HD13 ILE 52 HD13 ILE 52 6.533 -5.936 -0.755 423 H TRP 53 HN TRP 53 1.727 -8.982 1.870 424 HA TRP 53 HA TRP 53 3.070 -10.960 3.582 425 HB2 TRP 53 HB2 TRP 53 0.321 -10.791 2.332 426 HB3 TRP 53 HB1 TRP 53 0.856 -12.201 3.247 427 HD1 TRP 53 HD1 TRP 53 -0.710 -8.898 3.692 428 HE1 TRP 53 HE1 TRP 53 -0.756 -8.235 6.183 429 HE3 TRP 53 HE3 TRP 53 2.490 -12.393 5.596 430 HZ2 TRP 53 HZ2 TRP 53 0.412 -9.074 8.656 431 HZ3 TRP 53 HZ3 TRP 53 3.006 -12.439 8.019 432 HH2 TRP 53 HH2 TRP 53 1.972 -10.784 9.550 433 H LYS 54 HN LYS 54 4.594 -12.130 2.549 434 HA LYS 54 HA LYS 54 4.786 -12.716 -0.189 435 HB2 LYS 54 HB2 LYS 54 6.443 -13.154 1.803 436 HB3 LYS 54 HB1 LYS 54 5.659 -14.730 1.879 437 HG2 LYS 54 HG2 LYS 54 6.218 -15.151 -0.465 438 HG3 LYS 54 HG1 LYS 54 6.929 -13.548 -0.607 439 HD2 LYS 54 HD2 LYS 54 8.611 -14.129 1.101 440 HD3 LYS 54 HD1 LYS 54 7.907 -15.739 1.249 441 HE2 LYS 54 HE2 LYS 54 8.407 -16.192 -1.117 442 HE3 LYS 54 HE1 LYS 54 9.084 -14.574 -1.292 443 HZ1 LYS 54 HZ1 LYS 54 10.690 -15.162 0.473 444 HZ2 LYS 54 HZ2 LYS 54 10.855 -16.109 -0.927 445 HZ3 LYS 54 HZ3 LYS 54 10.097 -16.751 0.451 446 H ASN 55 HN ASN 55 2.447 -13.791 1.961 447 HA ASN 55 HA ASN 55 1.946 -16.449 1.027 448 HB2 ASN 55 HB2 ASN 55 0.908 -15.590 3.066 449 HB3 ASN 55 HB1 ASN 55 0.062 -14.351 2.140 450 HD21 ASN 55 HD21 ASN 55 0.352 -17.933 2.379 451 HD22 ASN 55 HD22 ASN 55 -1.245 -18.239 1.893 452 H ALA 56 HN ALA 56 0.862 -13.273 -0.101 453 HA ALA 56 HA ALA 56 -0.865 -14.357 -2.186 454 HB1 ALA 56 HB1 ALA 56 0.297 -11.590 -1.744 455 HB2 ALA 56 HB2 ALA 56 -1.303 -12.141 -1.252 456 HB3 ALA 56 HB3 ALA 56 -0.916 -11.976 -2.966 457 H GLU 57 HN GLU 57 2.478 -13.986 -1.816 458 HA GLU 57 HA GLU 57 4.291 -14.122 -3.278 459 HB2 GLU 57 HB2 GLU 57 2.213 -15.625 -4.905 460 HB3 GLU 57 HB1 GLU 57 3.942 -15.620 -5.256 461 HG2 GLU 57 HG2 GLU 57 2.766 -16.481 -2.598 462 HG3 GLU 57 HG1 GLU 57 3.178 -17.605 -3.891 463 H LEU 58 HN LEU 58 3.402 -11.678 -3.374 464 HA LEU 58 HA LEU 58 2.686 -10.915 -6.134 465 HB2 LEU 58 HB2 LEU 58 2.951 -9.448 -3.517 466 HB3 LEU 58 HB1 LEU 58 2.825 -8.554 -5.030 467 HG LEU 58 HG LEU 58 0.830 -10.731 -4.412 468 HD11 LEU 58 HD11 LEU 58 -0.627 -9.047 -3.347 469 HD12 LEU 58 HD12 LEU 58 0.677 -7.862 -3.440 470 HD13 LEU 58 HD13 LEU 58 0.853 -9.290 -2.420 471 HD21 LEU 58 HD21 LEU 58 0.790 -9.759 -6.662 472 HD22 LEU 58 HD22 LEU 58 0.736 -8.132 -5.988 473 HD23 LEU 58 HD23 LEU 58 -0.634 -9.222 -5.776 474 HA PRO 59 HA PRO 59 6.853 -10.034 -7.334 475 HB2 PRO 59 HB2 PRO 59 6.473 -7.896 -9.038 476 HB3 PRO 59 HB1 PRO 59 6.103 -9.579 -9.465 477 HG2 PRO 59 HG2 PRO 59 4.259 -7.416 -8.549 478 HG3 PRO 59 HG1 PRO 59 4.020 -8.645 -9.805 479 HD2 PRO 59 HD2 PRO 59 2.929 -8.880 -7.322 480 HD3 PRO 59 HD1 PRO 59 3.437 -10.293 -8.272 481 H LEU 60 HN LEU 60 8.590 -8.609 -6.941 482 HA LEU 60 HA LEU 60 8.291 -6.889 -4.656 483 HB2 LEU 60 HB2 LEU 60 10.607 -7.099 -6.596 484 HB3 LEU 60 HB1 LEU 60 10.670 -6.406 -4.975 485 HG LEU 60 HG LEU 60 9.957 -9.287 -5.620 486 HD11 LEU 60 HD11 LEU 60 12.366 -8.613 -5.995 487 HD12 LEU 60 HD12 LEU 60 12.140 -9.857 -4.765 488 HD13 LEU 60 HD13 LEU 60 12.445 -8.186 -4.286 489 HD21 LEU 60 HD21 LEU 60 10.068 -7.667 -3.078 490 HD22 LEU 60 HD22 LEU 60 10.445 -9.389 -3.024 491 HD23 LEU 60 HD23 LEU 60 8.866 -8.852 -3.589 492 H LEU 61 HN LEU 61 8.092 -4.719 -4.514 493 HA LEU 61 HA LEU 61 7.295 -3.231 -6.897 494 HB2 LEU 61 HB2 LEU 61 7.475 -2.636 -3.950 495 HB3 LEU 61 HB1 LEU 61 7.225 -1.320 -5.098 496 HG LEU 61 HG LEU 61 5.232 -2.440 -5.981 497 HD11 LEU 61 HD11 LEU 61 5.755 -4.752 -5.738 498 HD12 LEU 61 HD12 LEU 61 4.395 -4.464 -4.653 499 HD13 LEU 61 HD13 LEU 61 6.029 -4.584 -4.004 500 HD21 LEU 61 HD21 LEU 61 5.093 -2.433 -2.955 501 HD22 LEU 61 HD22 LEU 61 3.791 -2.086 -4.093 502 HD23 LEU 61 HD23 LEU 61 5.134 -0.956 -3.918 503 H GLU 62 HN GLU 62 8.422 -1.580 -7.890 504 HA GLU 62 HA GLU 62 11.334 -1.590 -7.487 505 HB2 GLU 62 HB2 GLU 62 10.333 -1.622 -9.763 506 HB3 GLU 62 HB1 GLU 62 9.657 -0.021 -9.462 507 HG2 GLU 62 HG2 GLU 62 11.907 0.893 -9.128 508 HG3 GLU 62 HG1 GLU 62 12.607 -0.708 -9.362 509 H GLN 63 HN GLN 63 12.518 0.049 -6.658 510 HA GLN 63 HA GLN 63 11.204 2.015 -4.995 511 HB2 GLN 63 HB2 GLN 63 13.330 0.983 -4.339 512 HB3 GLN 63 HB1 GLN 63 14.117 1.701 -5.745 513 HG2 GLN 63 HG2 GLN 63 13.730 3.936 -4.912 514 HG3 GLN 63 HG1 GLN 63 12.722 3.323 -3.602 515 HE21 GLN 63 HE21 GLN 63 15.065 4.912 -3.102 516 HE22 GLN 63 HE22 GLN 63 16.209 3.933 -2.319 517 H GLY 64 HN GLY 64 10.868 4.147 -5.346 518 HA2 GLY 64 HA2 GLY 64 11.083 6.266 -6.368 519 HA3 GLY 64 HA1 GLY 64 12.222 5.577 -7.523 520 H GLU 65 HN GLU 65 9.224 3.916 -7.049 521 HA GLU 65 HA GLU 65 8.134 5.108 -9.579 522 HB2 GLU 65 HB2 GLU 65 8.235 2.188 -8.791 523 HB3 GLU 65 HB1 GLU 65 7.339 2.817 -10.172 524 HG2 GLU 65 HG2 GLU 65 10.325 3.158 -9.760 525 HG3 GLU 65 HG1 GLU 65 9.593 1.940 -10.802 526 H SER 66 HN SER 66 5.935 5.325 -9.693 527 HA SER 66 HA SER 66 4.511 5.371 -7.142 528 HB2 SER 66 HB2 SER 66 3.873 6.273 -9.934 529 HB3 SER 66 HB1 SER 66 2.625 6.238 -8.690 530 HG SER 66 HG SER 66 3.824 7.656 -7.476 531 H TYR 67 HN TYR 67 2.727 4.134 -6.598 532 HA TYR 67 HA TYR 67 1.900 1.979 -8.488 533 HB2 TYR 67 HB2 TYR 67 2.796 1.612 -5.623 534 HB3 TYR 67 HB1 TYR 67 1.899 0.392 -6.528 535 HD1 TYR 67 HD1 TYR 67 2.855 -0.452 -8.725 536 HD2 TYR 67 HD2 TYR 67 5.137 1.867 -5.923 537 HE1 TYR 67 HE1 TYR 67 4.952 -1.227 -9.794 538 HE2 TYR 67 HE2 TYR 67 7.237 1.091 -6.989 539 HH TYR 67 HH TYR 67 7.267 -0.535 -10.007 540 H LEU 68 HN LEU 68 -0.187 1.251 -8.193 541 HA LEU 68 HA LEU 68 -1.924 2.984 -6.491 542 HB2 LEU 68 HB2 LEU 68 -2.473 3.104 -8.857 543 HB3 LEU 68 HB1 LEU 68 -2.507 1.353 -8.975 544 HG LEU 68 HG LEU 68 -4.454 1.244 -7.509 545 HD11 LEU 68 HD11 LEU 68 -5.541 3.529 -6.940 546 HD12 LEU 68 HD12 LEU 68 -3.940 4.202 -7.239 547 HD13 LEU 68 HD13 LEU 68 -4.170 3.004 -5.964 548 HD21 LEU 68 HD21 LEU 68 -4.958 1.544 -9.851 549 HD22 LEU 68 HD22 LEU 68 -4.672 3.282 -9.742 550 HD23 LEU 68 HD23 LEU 68 -6.066 2.564 -8.934 551 H LEU 69 HN LEU 69 -2.719 2.039 -4.728 552 HA LEU 69 HA LEU 69 -2.718 -0.936 -4.504 553 HB2 LEU 69 HB2 LEU 69 -3.115 1.160 -2.349 554 HB3 LEU 69 HB1 LEU 69 -2.855 -0.565 -2.103 555 HG LEU 69 HG LEU 69 -0.882 1.359 -3.368 556 HD11 LEU 69 HD11 LEU 69 -1.008 0.012 -0.661 557 HD12 LEU 69 HD12 LEU 69 -0.960 1.742 -1.001 558 HD13 LEU 69 HD13 LEU 69 0.462 0.743 -1.304 559 HD21 LEU 69 HD21 LEU 69 -0.431 -0.703 -4.396 560 HD22 LEU 69 HD22 LEU 69 -0.901 -1.633 -2.971 561 HD23 LEU 69 HD23 LEU 69 0.628 -0.753 -2.989 562 H ARG 70 HN ARG 70 -4.621 -2.008 -4.520 563 HA ARG 70 HA ARG 70 -7.152 -0.428 -4.174 564 HB2 ARG 70 HB2 ARG 70 -6.631 -2.715 -6.089 565 HB3 ARG 70 HB1 ARG 70 -8.170 -1.876 -5.884 566 HG2 ARG 70 HG2 ARG 70 -6.975 0.271 -6.482 567 HG3 ARG 70 HG1 ARG 70 -5.565 -0.705 -6.888 568 HD2 ARG 70 HD2 ARG 70 -8.305 -1.050 -8.138 569 HD3 ARG 70 HD1 ARG 70 -6.969 -0.175 -8.883 570 HE ARG 70 HE ARG 70 -5.988 -2.739 -8.237 571 HH11 ARG 70 HH21 ARG 70 -8.427 -1.291 -10.218 572 HH12 ARG 70 HH22 ARG 70 -8.363 -2.535 -11.421 573 HH21 ARG 70 HH11 ARG 70 -5.903 -4.354 -9.799 574 HH22 ARG 70 HH12 ARG 70 -6.938 -4.263 -11.185 575 H SER 71 HN SER 71 -8.748 -1.344 -3.020 576 HA SER 71 HA SER 71 -9.699 -2.647 -1.349 577 HB2 SER 71 HB2 SER 71 -10.121 -4.059 -3.327 578 HB3 SER 71 HB1 SER 71 -8.583 -4.878 -3.074 579 HG SER 71 HG SER 71 -10.169 -6.085 -2.082 580 H VAL 72 HN VAL 72 -7.574 -1.682 -0.205 581 HA VAL 72 HA VAL 72 -6.047 -3.999 0.950 582 HB VAL 72 HB VAL 72 -4.447 -2.178 1.736 583 HG11 VAL 72 HG11 VAL 72 -3.310 -2.096 -0.410 584 HG12 VAL 72 HG12 VAL 72 -4.808 -2.484 -1.257 585 HG13 VAL 72 HG13 VAL 72 -4.047 -3.682 -0.209 586 HG21 VAL 72 HG21 VAL 72 -4.556 -0.019 0.731 587 HG22 VAL 72 HG22 VAL 72 -6.194 -0.346 1.296 588 HG23 VAL 72 HG23 VAL 72 -5.798 -0.530 -0.413 589 H VAL 73 HN VAL 73 -5.577 -3.851 3.252 590 HA VAL 73 HA VAL 73 -7.744 -2.446 4.778 591 HB VAL 73 HB VAL 73 -7.896 -4.968 4.681 592 HG11 VAL 73 HG11 VAL 73 -5.348 -5.249 4.793 593 HG12 VAL 73 HG12 VAL 73 -6.297 -6.318 5.825 594 HG13 VAL 73 HG13 VAL 73 -5.491 -4.912 6.519 595 HG21 VAL 73 HG21 VAL 73 -8.899 -3.646 6.499 596 HG22 VAL 73 HG22 VAL 73 -7.375 -3.700 7.384 597 HG23 VAL 73 HG23 VAL 73 -8.289 -5.183 7.109 598 H VAL 74 HN VAL 74 -7.113 -1.155 6.414 599 HA VAL 74 HA VAL 74 -4.230 -0.722 6.814 600 HB VAL 74 HB VAL 74 -6.511 0.687 8.200 601 HG11 VAL 74 HG11 VAL 74 -3.736 1.630 7.427 602 HG12 VAL 74 HG12 VAL 74 -4.143 0.984 9.017 603 HG13 VAL 74 HG13 VAL 74 -4.899 2.473 8.451 604 HG21 VAL 74 HG21 VAL 74 -6.395 2.335 6.355 605 HG22 VAL 74 HG22 VAL 74 -6.867 0.748 5.751 606 HG23 VAL 74 HG23 VAL 74 -5.214 1.321 5.526 607 H GLY 75 HN GLY 75 -3.197 -1.976 8.225 608 HA2 GLY 75 HA2 GLY 75 -4.633 -3.214 10.492 609 HA3 GLY 75 HA1 GLY 75 -2.988 -3.582 9.980 610 H GLU 76 HN GLU 76 -4.181 -2.789 12.630 611 HA GLU 76 HA GLU 76 -3.322 -0.166 13.346 612 HB2 GLU 76 HB2 GLU 76 -3.461 -1.003 15.668 613 HB3 GLU 76 HB1 GLU 76 -4.859 -1.506 14.720 614 HG2 GLU 76 HG2 GLU 76 -3.644 -3.691 14.275 615 HG3 GLU 76 HG1 GLU 76 -2.451 -3.182 15.471 616 H TYR 77 HN TYR 77 -1.329 0.647 13.802 617 HA TYR 77 HA TYR 77 0.901 -1.264 14.343 618 HB2 TYR 77 HB2 TYR 77 0.802 -0.552 11.892 619 HB3 TYR 77 HB1 TYR 77 1.157 1.083 12.450 620 HD1 TYR 77 HD2 TYR 77 2.381 -2.428 12.978 621 HD2 TYR 77 HD1 TYR 77 3.408 1.720 12.531 622 HE1 TYR 77 HE2 TYR 77 4.782 -3.008 13.126 623 HE2 TYR 77 HE1 TYR 77 5.813 1.136 12.675 624 HH TYR 77 HH TYR 77 6.864 -2.255 12.962 625 H ASN 78 HN ASN 78 1.035 -0.651 16.465 626 HA ASN 78 HA ASN 78 1.370 0.731 18.330 627 HB2 ASN 78 HB2 ASN 78 3.387 2.116 18.148 628 HB3 ASN 78 HB1 ASN 78 3.633 0.568 17.347 629 HD21 ASN 78 HD21 ASN 78 4.485 0.715 15.278 630 HD22 ASN 78 HD22 ASN 78 4.375 2.076 14.270 631 H ASP 79 HN ASP 79 2.396 3.569 17.878 632 HA ASP 79 HA ASP 79 -0.180 4.869 18.118 633 HB2 ASP 79 HB2 ASP 79 1.979 5.578 19.254 634 HB3 ASP 79 HB1 ASP 79 2.517 6.176 17.685 635 H ARG 80 HN ARG 80 1.455 3.729 15.489 636 HA ARG 80 HA ARG 80 0.375 5.839 13.653 637 HB2 ARG 80 HB2 ARG 80 2.639 3.882 13.209 638 HB3 ARG 80 HB1 ARG 80 2.090 5.097 12.057 639 HG2 ARG 80 HG2 ARG 80 3.004 5.843 14.839 640 HG3 ARG 80 HG1 ARG 80 4.140 5.700 13.500 641 HD2 ARG 80 HD2 ARG 80 2.708 7.341 12.218 642 HD3 ARG 80 HD1 ARG 80 1.769 7.573 13.689 643 HE ARG 80 HE ARG 80 4.674 8.008 13.931 644 HH11 ARG 80 HH21 ARG 80 1.487 9.290 13.511 645 HH12 ARG 80 HH22 ARG 80 1.924 10.878 14.038 646 HH21 ARG 80 HH11 ARG 80 5.243 10.071 14.603 647 HH22 ARG 80 HH12 ARG 80 4.046 11.321 14.653 648 H PHE 81 HN PHE 81 0.338 4.603 11.320 649 HA PHE 81 HA PHE 81 -1.384 2.177 11.690 650 HB2 PHE 81 HB2 PHE 81 -1.825 4.568 9.887 651 HB3 PHE 81 HB1 PHE 81 -2.741 3.065 9.773 652 HD1 PHE 81 HD1 PHE 81 -4.207 2.337 11.618 653 HD2 PHE 81 HD2 PHE 81 -2.169 6.116 11.723 654 HE1 PHE 81 HE1 PHE 81 -5.694 3.086 13.455 655 HE2 PHE 81 HE2 PHE 81 -3.657 6.867 13.560 656 HZ PHE 81 HZ PHE 81 -5.420 5.351 14.426 657 H GLN 82 HN GLN 82 -1.404 0.732 9.875 658 HA GLN 82 HA GLN 82 0.756 1.144 7.853 659 HB2 GLN 82 HB2 GLN 82 1.681 -0.198 9.740 660 HB3 GLN 82 HB1 GLN 82 0.398 -1.382 9.493 661 HG2 GLN 82 HG2 GLN 82 1.188 -1.772 7.190 662 HG3 GLN 82 HG1 GLN 82 2.459 -0.574 7.422 663 HE21 GLN 82 HE21 GLN 82 4.424 -1.477 7.979 664 HE22 GLN 82 HE22 GLN 82 4.631 -2.945 8.802 665 H VAL 83 HN VAL 83 0.433 -0.051 5.930 666 HA VAL 83 HA VAL 83 -2.343 -1.106 5.562 667 HB VAL 83 HB VAL 83 -1.799 -0.679 3.087 668 HG11 VAL 83 HG11 VAL 83 -2.173 1.845 3.429 669 HG12 VAL 83 HG12 VAL 83 -2.101 1.504 5.158 670 HG13 VAL 83 HG13 VAL 83 -3.354 0.761 4.165 671 HG21 VAL 83 HG21 VAL 83 -0.042 0.955 2.638 672 HG22 VAL 83 HG22 VAL 83 0.670 -0.435 3.456 673 HG23 VAL 83 HG23 VAL 83 0.355 1.050 4.352 674 H GLN 84 HN GLN 84 -2.584 -3.190 5.013 675 HA GLN 84 HA GLN 84 -0.114 -4.813 4.547 676 HB2 GLN 84 HB2 GLN 84 -2.872 -5.539 5.560 677 HB3 GLN 84 HB1 GLN 84 -1.618 -6.729 5.205 678 HG2 GLN 84 HG2 GLN 84 -0.118 -5.656 6.829 679 HG3 GLN 84 HG1 GLN 84 -1.339 -4.430 7.165 680 HE21 GLN 84 HE21 GLN 84 -0.860 -5.564 9.445 681 HE22 GLN 84 HE22 GLN 84 -1.910 -6.837 9.844 682 H VAL 85 HN VAL 85 0.205 -5.658 2.591 683 HA VAL 85 HA VAL 85 -1.971 -5.532 0.567 684 HB VAL 85 HB VAL 85 0.941 -6.255 0.166 685 HG11 VAL 85 HG11 VAL 85 0.507 -5.886 -2.147 686 HG12 VAL 85 HG12 VAL 85 -1.050 -5.130 -1.811 687 HG13 VAL 85 HG13 VAL 85 -0.842 -6.866 -1.579 688 HG21 VAL 85 HG21 VAL 85 0.940 -4.033 1.058 689 HG22 VAL 85 HG22 VAL 85 -0.492 -3.590 0.127 690 HG23 VAL 85 HG23 VAL 85 1.049 -3.845 -0.693 691 H ASN 86 HN ASN 86 -2.953 -7.347 -0.159 692 HA ASN 86 HA ASN 86 -1.729 -10.004 0.432 693 HB2 ASN 86 HB2 ASN 86 -4.047 -10.787 1.111 694 HB3 ASN 86 HB1 ASN 86 -3.255 -9.706 2.257 695 HD21 ASN 86 HD21 ASN 86 -5.252 -8.841 3.113 696 HD22 ASN 86 HD22 ASN 86 -6.274 -7.847 2.192 697 H LYS 87 HN LYS 87 -3.372 -11.712 -0.571 698 HA LYS 87 HA LYS 87 -3.221 -11.499 -3.387 699 HB2 LYS 87 HB2 LYS 87 -3.490 -13.635 -2.170 700 HB3 LYS 87 HB1 LYS 87 -5.121 -13.159 -1.701 701 HG2 LYS 87 HG2 LYS 87 -5.820 -13.103 -4.040 702 HG3 LYS 87 HG1 LYS 87 -4.177 -13.481 -4.565 703 HD2 LYS 87 HD2 LYS 87 -4.296 -15.641 -3.362 704 HD3 LYS 87 HD1 LYS 87 -5.943 -15.264 -2.855 705 HE2 LYS 87 HE2 LYS 87 -6.030 -16.706 -4.819 706 HE3 LYS 87 HE1 LYS 87 -6.600 -15.097 -5.261 707 HZ1 LYS 87 HZ1 LYS 87 -3.929 -14.946 -5.675 708 HZ2 LYS 87 HZ2 LYS 87 -5.096 -15.220 -6.878 709 HZ3 LYS 87 HZ3 LYS 87 -4.282 -16.530 -6.166 710 H ASN 88 HN ASN 88 -5.907 -10.781 -1.192 711 HA ASN 88 HA ASN 88 -7.902 -10.286 -3.158 712 HB2 ASN 88 HB2 ASN 88 -8.506 -10.483 -0.824 713 HB3 ASN 88 HB1 ASN 88 -7.478 -9.117 -0.401 714 HD21 ASN 88 HD21 ASN 88 -10.441 -9.959 -2.249 715 HD22 ASN 88 HD22 ASN 88 -11.128 -8.409 -2.152 716 H SER 89 HN SER 89 -5.393 -8.167 -1.801 717 HA SER 89 HA SER 89 -6.393 -5.807 -3.167 718 HB2 SER 89 HB2 SER 89 -4.564 -4.673 -2.247 719 HB3 SER 89 HB1 SER 89 -4.876 -5.939 -1.064 720 HG SER 89 HG SER 89 -3.209 -7.139 -1.970 721 H SER 90 HN SER 90 -5.130 -4.622 -4.793 722 HA SER 90 HA SER 90 -3.547 -6.399 -6.622 723 HB2 SER 90 HB2 SER 90 -5.770 -4.485 -7.362 724 HB3 SER 90 HB1 SER 90 -4.673 -5.217 -8.529 725 HG SER 90 HG SER 90 -6.852 -6.255 -7.814 726 H ILE 91 HN ILE 91 -1.933 -5.304 -7.809 727 HA ILE 91 HA ILE 91 -1.412 -2.461 -7.003 728 HB ILE 91 HB ILE 91 0.571 -4.739 -7.215 729 HG12 ILE 91 HG12 ILE 91 -0.181 -2.972 -4.867 730 HG13 ILE 91 HG11 ILE 91 -0.877 -4.566 -5.145 731 HG21 ILE 91 HG21 ILE 91 1.640 -2.769 -8.071 732 HG22 ILE 91 HG22 ILE 91 2.164 -2.922 -6.395 733 HG23 ILE 91 HG23 ILE 91 0.913 -1.755 -6.825 734 HD11 ILE 91 HD11 ILE 91 1.076 -5.667 -4.602 735 HD12 ILE 91 HD12 ILE 91 1.272 -4.232 -3.598 736 HD13 ILE 91 HD13 ILE 91 2.109 -4.344 -5.144 737 H GLU 92 HN GLU 92 -0.996 -1.124 -8.670 738 HA GLU 92 HA GLU 92 -0.346 -2.353 -11.347 739 HB2 GLU 92 HB2 GLU 92 -2.088 0.070 -10.824 740 HB3 GLU 92 HB1 GLU 92 -1.740 -0.643 -12.396 741 HG2 GLU 92 HG2 GLU 92 -2.804 -2.754 -11.660 742 HG3 GLU 92 HG1 GLU 92 -3.179 -2.007 -10.107 743 H LYS 93 HN LYS 93 1.421 -1.512 -12.319 744 HA LYS 93 HA LYS 93 2.944 0.587 -10.950 745 HB2 LYS 93 HB2 LYS 93 4.045 -1.407 -11.961 746 HB3 LYS 93 HB1 LYS 93 3.526 -0.852 -13.553 747 HG2 LYS 93 HG2 LYS 93 4.820 1.189 -13.326 748 HG3 LYS 93 HG1 LYS 93 5.231 0.787 -11.660 749 HD2 LYS 93 HD2 LYS 93 7.137 0.184 -12.984 750 HD3 LYS 93 HD1 LYS 93 6.332 -1.322 -12.551 751 HE2 LYS 93 HE2 LYS 93 5.406 -1.582 -14.719 752 HE3 LYS 93 HE1 LYS 93 5.729 0.096 -15.151 753 HZ1 LYS 93 HZ1 LYS 93 7.846 -0.358 -15.667 754 HZ2 LYS 93 HZ2 LYS 93 7.299 -1.960 -15.815 755 HZ3 LYS 93 HZ3 LYS 93 8.052 -1.445 -14.381 756 H LEU 94 HN LEU 94 2.573 2.681 -11.341 757 HA LEU 94 HA LEU 94 1.475 3.503 -14.013 758 HB2 LEU 94 HB2 LEU 94 1.360 5.002 -11.383 759 HB3 LEU 94 HB1 LEU 94 0.517 5.417 -12.874 760 HG LEU 94 HG LEU 94 0.077 2.903 -11.231 761 HD11 LEU 94 HD11 LEU 94 -0.927 4.716 -10.068 762 HD12 LEU 94 HD12 LEU 94 -2.241 3.995 -11.001 763 HD13 LEU 94 HD13 LEU 94 -1.469 5.478 -11.563 764 HD21 LEU 94 HD21 LEU 94 -0.395 2.276 -13.462 765 HD22 LEU 94 HD22 LEU 94 -1.029 3.869 -13.872 766 HD23 LEU 94 HD23 LEU 94 -1.966 2.781 -12.847 767 H SER 95 HN SER 95 2.737 4.776 -15.256 768 HA SER 95 HA SER 95 5.420 5.509 -14.359 769 HB2 SER 95 HB2 SER 95 3.932 6.246 -16.899 770 HB3 SER 95 HB1 SER 95 5.665 6.415 -16.635 771 HG SER 95 HG SER 95 4.095 4.082 -16.878 772 H GLU 96 HN GLU 96 3.079 6.682 -12.977 773 HA GLU 96 HA GLU 96 3.449 9.584 -13.610 774 HB2 GLU 96 HB2 GLU 96 1.130 8.710 -13.745 775 HB3 GLU 96 HB1 GLU 96 1.234 8.242 -12.046 776 HG2 GLU 96 HG2 GLU 96 1.479 10.522 -11.343 777 HG3 GLU 96 HG1 GLU 96 1.737 11.071 -13.000 778 HA PRO 97 HA PRO 97 5.606 8.930 -9.579 779 HB2 PRO 97 HB2 PRO 97 7.552 10.817 -9.910 780 HB3 PRO 97 HB1 PRO 97 7.660 9.189 -10.610 781 HG2 PRO 97 HG2 PRO 97 6.935 11.764 -11.916 782 HG3 PRO 97 HG1 PRO 97 7.862 10.396 -12.554 783 HD2 PRO 97 HD2 PRO 97 5.193 10.885 -13.134 784 HD3 PRO 97 HD1 PRO 97 5.965 9.292 -13.276 785 H ILE 98 HN ILE 98 5.581 10.175 -7.660 786 HA ILE 98 HA ILE 98 3.870 12.617 -7.803 787 HB ILE 98 HB ILE 98 4.575 10.835 -5.455 788 HG12 ILE 98 HG12 ILE 98 1.955 11.110 -6.957 789 HG13 ILE 98 HG11 ILE 98 3.129 9.840 -7.292 790 HG21 ILE 98 HG21 ILE 98 2.657 13.164 -5.766 791 HG22 ILE 98 HG22 ILE 98 4.077 13.100 -4.722 792 HG23 ILE 98 HG23 ILE 98 2.682 12.078 -4.374 793 HD11 ILE 98 HD11 ILE 98 1.989 10.330 -4.532 794 HD12 ILE 98 HD12 ILE 98 2.908 8.930 -5.086 795 HD13 ILE 98 HD13 ILE 98 1.270 9.200 -5.680 796 H GLU 99 HN GLU 99 4.769 14.549 -7.452 797 HA GLU 99 HA GLU 99 7.597 14.730 -6.637 798 HB2 GLU 99 HB2 GLU 99 5.568 16.734 -7.641 799 HB3 GLU 99 HB1 GLU 99 7.175 17.208 -7.095 800 HG2 GLU 99 HG2 GLU 99 8.209 15.744 -8.753 801 HG3 GLU 99 HG1 GLU 99 6.624 15.169 -9.267 802 H VAL 100 HN VAL 100 8.058 14.826 -4.525 803 HA VAL 100 HA VAL 100 6.122 16.122 -2.636 804 HB VAL 100 HB VAL 100 8.381 14.177 -2.079 805 HG11 VAL 100 HG11 VAL 100 8.004 15.520 -0.140 806 HG12 VAL 100 HG12 VAL 100 7.127 14.016 0.140 807 HG13 VAL 100 HG13 VAL 100 6.255 15.466 -0.357 808 HG21 VAL 100 HG21 VAL 100 6.549 13.105 -3.319 809 HG22 VAL 100 HG22 VAL 100 5.374 13.766 -2.183 810 HG23 VAL 100 HG23 VAL 100 6.543 12.562 -1.641 811 H GLY 101 HN GLY 101 9.558 15.879 -3.517 812 HA2 GLY 101 HA2 GLY 101 10.468 17.878 -1.635 813 HA3 GLY 101 HA1 GLY 101 11.375 17.291 -3.025 814 H LEU 102 HN LEU 102 9.373 18.021 -4.993 815 HA LEU 102 HA LEU 102 10.063 20.865 -5.247 816 HB2 LEU 102 HB2 LEU 102 8.287 19.232 -7.077 817 HB3 LEU 102 HB1 LEU 102 9.176 20.697 -7.478 818 HG LEU 102 HG LEU 102 10.417 18.029 -6.729 819 HD11 LEU 102 HD11 LEU 102 11.263 18.209 -9.137 820 HD12 LEU 102 HD12 LEU 102 10.063 19.481 -9.361 821 HD13 LEU 102 HD13 LEU 102 9.547 17.846 -8.949 822 HD21 LEU 102 HD21 LEU 102 11.559 20.756 -7.359 823 HD22 LEU 102 HD22 LEU 102 12.508 19.291 -7.610 824 HD23 LEU 102 HD23 LEU 102 11.931 19.700 -5.996 825 H GLU 103 HN GLU 103 7.717 19.251 -3.601 826 HA GLU 103 HA GLU 103 5.289 20.542 -4.265 827 HB2 GLU 103 HB2 GLU 103 5.465 18.651 -2.666 828 HB3 GLU 103 HB1 GLU 103 6.229 19.731 -1.498 829 HG2 GLU 103 HG2 GLU 103 4.236 21.143 -1.441 830 HG3 GLU 103 HG1 GLU 103 3.474 20.161 -2.692 831 H HIS 104 HN HIS 104 4.592 22.584 -4.029 832 HA HIS 104 HA HIS 104 6.373 24.590 -2.795 833 HB2 HIS 104 HB2 HIS 104 5.337 25.064 -4.983 834 HB3 HIS 104 HB1 HIS 104 3.738 24.876 -4.265 835 HD1 HIS 104 HD1 HIS 104 6.860 26.994 -3.719 836 HD2 HIS 104 HD2 HIS 104 2.724 27.250 -3.263 837 HE1 HIS 104 HE1 HIS 104 6.370 29.358 -2.958 838 H HIS 105 HN HIS 105 2.832 24.645 -2.722 839 HA HIS 105 HA HIS 105 2.828 24.366 0.229 840 HB2 HIS 105 HB2 HIS 105 3.223 26.785 -0.257 841 HB3 HIS 105 HB1 HIS 105 1.696 26.818 -1.140 842 HD1 HIS 105 HD1 HIS 105 2.972 25.899 2.334 843 HD2 HIS 105 HD2 HIS 105 -0.494 27.293 0.486 844 HE1 HIS 105 HE1 HIS 105 1.317 26.380 4.189 845 H HIS 106 HN HIS 106 0.796 23.795 1.057 846 HA HIS 106 HA HIS 106 -0.965 22.445 -0.788 847 HB2 HIS 106 HB2 HIS 106 -0.620 21.642 1.511 848 HB3 HIS 106 HB1 HIS 106 -1.375 23.109 2.138 849 HD1 HIS 106 HD1 HIS 106 -2.254 20.322 -0.314 850 HD2 HIS 106 HD2 HIS 106 -4.108 22.820 2.461 851 HE1 HIS 106 HE1 HIS 106 -4.695 19.654 -0.270 852 H HIS 107 HN HIS 107 -2.828 23.116 -1.705 853 HA HIS 107 HA HIS 107 -4.204 25.541 -0.695 854 HB2 HIS 107 HB2 HIS 107 -2.535 26.278 -2.427 855 HB3 HIS 107 HB1 HIS 107 -3.386 25.271 -3.598 856 HD1 HIS 107 HD1 HIS 107 -5.943 25.913 -4.054 857 HD2 HIS 107 HD2 HIS 107 -3.766 28.729 -1.886 858 HE1 HIS 107 HE1 HIS 107 -7.302 28.049 -4.089 859 H HIS 108 HN HIS 108 -6.391 25.505 -1.105 860 HA HIS 108 HA HIS 108 -7.590 22.966 -1.769 861 HB2 HIS 108 HB2 HIS 108 -8.764 25.726 -1.357 862 HB3 HIS 108 HB1 HIS 108 -9.741 24.275 -1.594 863 HD1 HIS 108 HD1 HIS 108 -7.497 25.969 0.889 864 HD2 HIS 108 HD2 HIS 108 -9.685 22.433 0.593 865 HE1 HIS 108 HE1 HIS 108 -7.522 24.945 3.206 866 H HIS 109 HN HIS 109 -8.553 22.293 -3.642 867 HA HIS 109 HA HIS 109 -9.240 24.063 -5.825 868 HB2 HIS 109 HB2 HIS 109 -7.563 23.290 -7.442 869 HB3 HIS 109 HB1 HIS 109 -6.768 24.064 -6.074 870 HD1 HIS 109 HD1 HIS 109 -7.871 20.905 -4.838 871 HD2 HIS 109 HD2 HIS 109 -4.689 22.108 -7.250 872 HE1 HIS 109 HE1 HIS 109 -6.161 19.035 -4.761 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -17.236 4.300 -9.820 2 H2 MET 1 HT2 MET 1 -17.778 3.293 -11.076 3 H3 MET 1 HT3 MET 1 -18.833 4.429 -10.376 4 HA MET 1 HA MET 1 -17.556 4.872 -12.654 5 HB2 MET 1 HB2 MET 1 -19.291 6.302 -11.558 6 HB3 MET 1 HB1 MET 1 -18.042 6.958 -10.500 7 HG2 MET 1 HG2 MET 1 -16.813 7.806 -12.455 8 HG3 MET 1 HG1 MET 1 -18.035 7.127 -13.529 9 HE1 MET 1 HE1 MET 1 -16.801 9.970 -11.549 10 HE2 MET 1 HE2 MET 1 -17.775 9.313 -10.236 11 HE3 MET 1 HE3 MET 1 -18.199 10.869 -10.945 12 H GLU 2 HN GLU 2 -16.051 4.956 -9.539 13 HA GLU 2 HA GLU 2 -13.437 5.217 -10.768 14 HB2 GLU 2 HB2 GLU 2 -12.985 7.263 -9.075 15 HB3 GLU 2 HB1 GLU 2 -13.563 7.538 -10.717 16 HG2 GLU 2 HG2 GLU 2 -15.839 7.731 -9.964 17 HG3 GLU 2 HG1 GLU 2 -15.404 7.197 -8.339 18 HA PRO 3 HA PRO 3 -12.428 2.834 -7.180 19 HB2 PRO 3 HB2 PRO 3 -9.786 3.541 -6.772 20 HB3 PRO 3 HB1 PRO 3 -10.327 2.461 -8.073 21 HG2 PRO 3 HG2 PRO 3 -9.700 5.382 -8.186 22 HG3 PRO 3 HG1 PRO 3 -9.271 4.092 -9.328 23 HD2 PRO 3 HD2 PRO 3 -11.336 5.775 -9.811 24 HD3 PRO 3 HD1 PRO 3 -11.390 4.070 -10.310 25 H GLN 4 HN GLN 4 -12.430 2.999 -4.928 26 HA GLN 4 HA GLN 4 -12.932 5.641 -3.811 27 HB2 GLN 4 HB2 GLN 4 -12.712 2.876 -2.591 28 HB3 GLN 4 HB1 GLN 4 -13.071 4.322 -1.642 29 HG2 GLN 4 HG2 GLN 4 -15.052 4.762 -3.020 30 HG3 GLN 4 HG1 GLN 4 -14.680 3.368 -4.032 31 HE21 GLN 4 HE21 GLN 4 -16.573 4.315 -1.427 32 HE22 GLN 4 HE22 GLN 4 -16.834 2.793 -0.720 33 H LEU 5 HN LEU 5 -10.993 6.790 -4.086 34 HA LEU 5 HA LEU 5 -8.466 5.697 -3.054 35 HB2 LEU 5 HB2 LEU 5 -9.133 8.464 -4.103 36 HB3 LEU 5 HB1 LEU 5 -7.515 7.818 -3.837 37 HG LEU 5 HG LEU 5 -9.561 6.660 -5.752 38 HD11 LEU 5 HD11 LEU 5 -7.943 7.496 -7.490 39 HD12 LEU 5 HD12 LEU 5 -7.093 8.360 -6.209 40 HD13 LEU 5 HD13 LEU 5 -8.761 8.779 -6.599 41 HD21 LEU 5 HD21 LEU 5 -6.773 5.858 -4.921 42 HD22 LEU 5 HD22 LEU 5 -7.333 5.499 -6.554 43 HD23 LEU 5 HD23 LEU 5 -8.194 4.843 -5.168 44 H THR 6 HN THR 6 -7.655 6.081 -1.065 45 HA THR 6 HA THR 6 -8.961 8.180 0.636 46 HB THR 6 HB THR 6 -7.932 5.454 1.476 47 HG1 THR 6 HG1 THR 6 -9.890 4.911 0.995 48 HG21 THR 6 HG21 THR 6 -9.031 7.821 2.996 49 HG22 THR 6 HG22 THR 6 -7.528 6.944 3.279 50 HG23 THR 6 HG23 THR 6 -9.076 6.187 3.656 51 H LYS 7 HN LYS 7 -7.576 9.618 1.486 52 HA LYS 7 HA LYS 7 -4.741 9.437 0.828 53 HB2 LYS 7 HB2 LYS 7 -6.211 11.484 2.511 54 HB3 LYS 7 HB1 LYS 7 -4.625 11.681 1.767 55 HG2 LYS 7 HG2 LYS 7 -7.192 11.197 0.225 56 HG3 LYS 7 HG1 LYS 7 -6.456 12.779 0.459 57 HD2 LYS 7 HD2 LYS 7 -4.332 11.752 -0.578 58 HD3 LYS 7 HD1 LYS 7 -5.372 10.426 -1.096 59 HE2 LYS 7 HE2 LYS 7 -6.799 11.950 -2.332 60 HE3 LYS 7 HE1 LYS 7 -5.879 13.337 -1.745 61 HZ1 LYS 7 HZ1 LYS 7 -4.164 12.904 -3.124 62 HZ2 LYS 7 HZ2 LYS 7 -5.373 12.155 -4.051 63 HZ3 LYS 7 HZ3 LYS 7 -4.366 11.222 -3.050 64 H ILE 8 HN ILE 8 -3.029 9.591 2.399 65 HA ILE 8 HA ILE 8 -3.254 7.741 4.561 66 HB ILE 8 HB ILE 8 -1.202 9.899 3.973 67 HG12 ILE 8 HG12 ILE 8 -1.033 6.892 3.617 68 HG13 ILE 8 HG11 ILE 8 -1.538 7.989 2.333 69 HG21 ILE 8 HG21 ILE 8 -1.277 7.708 6.057 70 HG22 ILE 8 HG22 ILE 8 -0.961 9.428 6.292 71 HG23 ILE 8 HG23 ILE 8 0.239 8.412 5.494 72 HD11 ILE 8 HD11 ILE 8 1.054 8.420 3.816 73 HD12 ILE 8 HD12 ILE 8 0.571 9.048 2.242 74 HD13 ILE 8 HD13 ILE 8 0.964 7.341 2.426 75 H VAL 9 HN VAL 9 -3.252 11.298 4.485 76 HA VAL 9 HA VAL 9 -3.427 11.656 7.327 77 HB VAL 9 HB VAL 9 -2.756 13.435 5.717 78 HG11 VAL 9 HG11 VAL 9 -4.591 12.775 4.060 79 HG12 VAL 9 HG12 VAL 9 -4.360 14.506 4.313 80 HG13 VAL 9 HG13 VAL 9 -5.705 13.673 5.092 81 HG21 VAL 9 HG21 VAL 9 -3.922 15.248 6.847 82 HG22 VAL 9 HG22 VAL 9 -3.610 13.964 8.015 83 HG23 VAL 9 HG23 VAL 9 -5.223 14.159 7.327 84 H ASP 10 HN ASP 10 -5.775 10.823 4.901 85 HA ASP 10 HA ASP 10 -8.098 11.614 6.483 86 HB2 ASP 10 HB2 ASP 10 -7.747 9.889 4.020 87 HB3 ASP 10 HB1 ASP 10 -9.320 10.209 4.752 88 H ILE 11 HN ILE 11 -5.872 9.122 6.796 89 HA ILE 11 HA ILE 11 -7.763 7.032 7.587 90 HB ILE 11 HB ILE 11 -4.756 7.253 7.902 91 HG12 ILE 11 HG12 ILE 11 -6.411 5.521 6.042 92 HG13 ILE 11 HG11 ILE 11 -5.739 7.078 5.566 93 HG21 ILE 11 HG21 ILE 11 -6.716 5.045 8.563 94 HG22 ILE 11 HG22 ILE 11 -5.482 5.754 9.607 95 HG23 ILE 11 HG23 ILE 11 -5.010 4.718 8.261 96 HD11 ILE 11 HD11 ILE 11 -4.165 5.423 4.848 97 HD12 ILE 11 HD12 ILE 11 -4.227 4.598 6.404 98 HD13 ILE 11 HD13 ILE 11 -3.464 6.182 6.278 99 H VAL 12 HN VAL 12 -8.748 6.971 9.517 100 HA VAL 12 HA VAL 12 -7.306 7.859 11.951 101 HB VAL 12 HB VAL 12 -9.213 9.224 12.709 102 HG11 VAL 12 HG11 VAL 12 -8.830 11.127 11.294 103 HG12 VAL 12 HG12 VAL 12 -8.398 10.097 9.928 104 HG13 VAL 12 HG13 VAL 12 -7.327 10.206 11.325 105 HG21 VAL 12 HG21 VAL 12 -10.341 8.425 10.017 106 HG22 VAL 12 HG22 VAL 12 -10.943 9.820 10.913 107 HG23 VAL 12 HG23 VAL 12 -11.071 8.203 11.607 108 H GLU 13 HN GLU 13 -8.799 5.457 10.445 109 HA GLU 13 HA GLU 13 -9.972 4.373 12.976 110 HB2 GLU 13 HB2 GLU 13 -11.785 5.185 11.421 111 HB3 GLU 13 HB1 GLU 13 -11.214 4.016 10.232 112 HG2 GLU 13 HG2 GLU 13 -13.032 2.981 11.429 113 HG3 GLU 13 HG1 GLU 13 -11.546 2.212 11.983 114 H ASN 14 HN ASN 14 -9.281 2.343 13.421 115 HA ASN 14 HA ASN 14 -7.382 1.081 11.600 116 HB2 ASN 14 HB2 ASN 14 -8.434 0.440 14.352 117 HB3 ASN 14 HB1 ASN 14 -7.352 -0.643 13.493 118 HD21 ASN 14 HD21 ASN 14 -5.742 1.447 12.204 119 HD22 ASN 14 HD22 ASN 14 -4.848 2.209 13.426 120 H GLY 15 HN GLY 15 -7.686 -0.819 10.476 121 HA2 GLY 15 HA2 GLY 15 -8.800 -2.690 9.585 122 HA3 GLY 15 HA1 GLY 15 -10.009 -2.520 10.856 123 H GLN 16 HN GLN 16 -9.232 -1.811 7.562 124 HA GLN 16 HA GLN 16 -11.968 -1.268 6.909 125 HB2 GLN 16 HB2 GLN 16 -11.708 1.110 6.203 126 HB3 GLN 16 HB1 GLN 16 -11.562 0.910 7.947 127 HG2 GLN 16 HG2 GLN 16 -9.088 0.879 7.709 128 HG3 GLN 16 HG1 GLN 16 -9.274 1.165 5.977 129 HE21 GLN 16 HE21 GLN 16 -8.560 3.328 5.770 130 HE22 GLN 16 HE22 GLN 16 -9.226 4.630 6.634 131 H TRP 17 HN TRP 17 -12.277 -1.446 4.706 132 HA TRP 17 HA TRP 17 -9.878 -2.133 3.105 133 HB2 TRP 17 HB2 TRP 17 -12.850 -2.467 2.622 134 HB3 TRP 17 HB1 TRP 17 -11.608 -2.931 1.457 135 HD1 TRP 17 HD1 TRP 17 -12.741 -3.712 5.054 136 HE1 TRP 17 HE1 TRP 17 -11.969 -6.099 5.648 137 HE3 TRP 17 HE3 TRP 17 -10.070 -4.843 0.852 138 HZ2 TRP 17 HZ2 TRP 17 -10.429 -8.215 4.486 139 HZ3 TRP 17 HZ3 TRP 17 -8.965 -7.049 0.619 140 HH2 TRP 17 HH2 TRP 17 -9.141 -8.735 2.429 141 H ALA 18 HN ALA 18 -9.182 -0.899 1.381 142 HA ALA 18 HA ALA 18 -10.830 0.965 -0.040 143 HB1 ALA 18 HB1 ALA 18 -10.836 2.376 1.882 144 HB2 ALA 18 HB2 ALA 18 -9.614 3.061 0.812 145 HB3 ALA 18 HB3 ALA 18 -9.126 2.083 2.197 146 H ASN 19 HN ASN 19 -9.267 2.606 -1.261 147 HA ASN 19 HA ASN 19 -6.928 0.988 -2.203 148 HB2 ASN 19 HB2 ASN 19 -8.559 3.162 -3.540 149 HB3 ASN 19 HB1 ASN 19 -7.118 2.426 -4.246 150 HD21 ASN 19 HD21 ASN 19 -9.449 2.074 -5.683 151 HD22 ASN 19 HD22 ASN 19 -10.018 0.482 -5.520 152 H LEU 20 HN LEU 20 -4.894 1.997 -2.426 153 HA LEU 20 HA LEU 20 -4.643 4.811 -1.471 154 HB2 LEU 20 HB2 LEU 20 -4.263 3.461 0.524 155 HB3 LEU 20 HB1 LEU 20 -3.121 2.440 -0.346 156 HG LEU 20 HG LEU 20 -1.586 4.326 -0.632 157 HD11 LEU 20 HD11 LEU 20 -2.918 6.247 -0.874 158 HD12 LEU 20 HD12 LEU 20 -2.236 6.462 0.732 159 HD13 LEU 20 HD13 LEU 20 -3.887 5.875 0.553 160 HD21 LEU 20 HD21 LEU 20 -1.138 4.804 1.811 161 HD22 LEU 20 HD22 LEU 20 -1.294 3.095 1.412 162 HD23 LEU 20 HD23 LEU 20 -2.633 3.947 2.182 163 H LYS 21 HN LYS 21 -3.185 5.939 -2.641 164 HA LYS 21 HA LYS 21 -1.326 4.423 -4.452 165 HB2 LYS 21 HB2 LYS 21 -3.055 5.623 -5.714 166 HB3 LYS 21 HB1 LYS 21 -2.650 7.116 -4.871 167 HG2 LYS 21 HG2 LYS 21 -0.466 7.186 -5.849 168 HG3 LYS 21 HG1 LYS 21 -0.624 5.545 -6.475 169 HD2 LYS 21 HD2 LYS 21 -0.979 7.139 -8.288 170 HD3 LYS 21 HD1 LYS 21 -2.494 6.316 -7.930 171 HE2 LYS 21 HE2 LYS 21 -3.380 8.202 -6.800 172 HE3 LYS 21 HE1 LYS 21 -1.795 8.960 -6.648 173 HZ1 LYS 21 HZ1 LYS 21 -1.731 9.237 -9.041 174 HZ2 LYS 21 HZ2 LYS 21 -3.116 9.983 -8.397 175 HZ3 LYS 21 HZ3 LYS 21 -3.246 8.489 -9.196 176 H ALA 22 HN ALA 22 0.841 5.004 -4.345 177 HA ALA 22 HA ALA 22 1.637 7.550 -3.138 178 HB1 ALA 22 HB1 ALA 22 2.203 4.963 -1.661 179 HB2 ALA 22 HB2 ALA 22 1.130 6.250 -1.111 180 HB3 ALA 22 HB3 ALA 22 2.864 6.546 -1.240 181 H LYS 23 HN LYS 23 4.144 7.498 -2.800 182 HA LYS 23 HA LYS 23 5.341 6.071 -5.141 183 HB2 LYS 23 HB2 LYS 23 5.355 8.549 -5.252 184 HB3 LYS 23 HB1 LYS 23 6.272 8.587 -3.746 185 HG2 LYS 23 HG2 LYS 23 8.105 7.349 -4.794 186 HG3 LYS 23 HG1 LYS 23 7.181 7.205 -6.289 187 HD2 LYS 23 HD2 LYS 23 7.147 9.673 -6.495 188 HD3 LYS 23 HD1 LYS 23 8.104 9.800 -5.019 189 HE2 LYS 23 HE2 LYS 23 9.003 8.269 -7.473 190 HE3 LYS 23 HE1 LYS 23 9.466 9.937 -7.136 191 HZ1 LYS 23 HZ1 LYS 23 10.267 9.068 -4.920 192 HZ2 LYS 23 HZ2 LYS 23 11.182 8.617 -6.279 193 HZ3 LYS 23 HZ3 LYS 23 10.107 7.509 -5.570 194 H VAL 24 HN VAL 24 6.977 4.662 -4.787 195 HA VAL 24 HA VAL 24 7.678 4.009 -2.036 196 HB VAL 24 HB VAL 24 8.645 2.980 -4.715 197 HG11 VAL 24 HG11 VAL 24 9.547 1.071 -3.264 198 HG12 VAL 24 HG12 VAL 24 9.371 2.165 -1.894 199 HG13 VAL 24 HG13 VAL 24 10.457 2.580 -3.220 200 HG21 VAL 24 HG21 VAL 24 6.239 2.553 -3.817 201 HG22 VAL 24 HG22 VAL 24 7.024 1.507 -2.635 202 HG23 VAL 24 HG23 VAL 24 7.179 1.164 -4.356 203 H ILE 25 HN ILE 25 9.340 4.840 -0.910 204 HA ILE 25 HA ILE 25 11.447 6.396 -2.364 205 HB ILE 25 HB ILE 25 11.820 7.470 -0.134 206 HG12 ILE 25 HG12 ILE 25 9.265 5.998 0.594 207 HG13 ILE 25 HG11 ILE 25 10.865 5.609 1.224 208 HG21 ILE 25 HG21 ILE 25 10.339 8.435 -1.916 209 HG22 ILE 25 HG22 ILE 25 9.875 8.912 -0.283 210 HG23 ILE 25 HG23 ILE 25 8.963 7.662 -1.131 211 HD11 ILE 25 HD11 ILE 25 9.902 7.008 2.872 212 HD12 ILE 25 HD12 ILE 25 9.257 8.117 1.663 213 HD13 ILE 25 HD13 ILE 25 10.992 8.061 1.970 214 H GLN 26 HN GLN 26 10.834 3.864 0.023 215 HA GLN 26 HA GLN 26 13.419 2.697 -0.546 216 HB2 GLN 26 HB2 GLN 26 13.924 4.570 1.124 217 HB3 GLN 26 HB1 GLN 26 13.028 3.612 2.305 218 HG2 GLN 26 HG2 GLN 26 14.539 1.728 1.997 219 HG3 GLN 26 HG1 GLN 26 15.385 2.574 0.702 220 HE21 GLN 26 HE21 GLN 26 16.864 1.735 2.949 221 HE22 GLN 26 HE22 GLN 26 17.322 3.094 3.859 222 H LEU 27 HN LEU 27 13.311 0.554 -0.221 223 HA LEU 27 HA LEU 27 11.215 -0.538 1.596 224 HB2 LEU 27 HB2 LEU 27 11.261 -2.426 -0.389 225 HB3 LEU 27 HB1 LEU 27 10.092 -1.116 -0.320 226 HG LEU 27 HG LEU 27 11.653 0.277 -1.731 227 HD11 LEU 27 HD11 LEU 27 13.349 -1.185 -3.032 228 HD12 LEU 27 HD12 LEU 27 13.179 -2.334 -1.707 229 HD13 LEU 27 HD13 LEU 27 13.789 -0.711 -1.395 230 HD21 LEU 27 HD21 LEU 27 10.977 -2.339 -3.074 231 HD22 LEU 27 HD22 LEU 27 10.982 -0.718 -3.774 232 HD23 LEU 27 HD23 LEU 27 9.737 -1.173 -2.609 233 H TRP 28 HN TRP 28 11.913 -2.232 2.843 234 HA TRP 28 HA TRP 28 14.728 -3.180 2.380 235 HB2 TRP 28 HB2 TRP 28 13.208 -3.198 4.996 236 HB3 TRP 28 HB1 TRP 28 14.943 -3.416 4.747 237 HD1 TRP 28 HD1 TRP 28 15.614 -1.064 2.851 238 HE1 TRP 28 HE1 TRP 28 15.464 1.378 3.663 239 HE3 TRP 28 HE3 TRP 28 12.428 -1.636 6.802 240 HZ2 TRP 28 HZ2 TRP 28 14.167 2.891 5.713 241 HZ3 TRP 28 HZ3 TRP 28 11.752 0.320 8.164 242 HH2 TRP 28 HH2 TRP 28 12.615 2.581 7.624 243 H GLU 29 HN GLU 29 14.901 -5.273 1.825 244 HA GLU 29 HA GLU 29 12.651 -7.026 1.620 245 HB2 GLU 29 HB2 GLU 29 14.263 -8.721 0.986 246 HB3 GLU 29 HB1 GLU 29 14.765 -7.190 0.277 247 HG2 GLU 29 HG2 GLU 29 16.774 -7.974 1.186 248 HG3 GLU 29 HG1 GLU 29 16.183 -6.923 2.470 249 H ASN 30 HN ASN 30 11.809 -8.480 3.059 250 HA ASN 30 HA ASN 30 13.066 -8.576 5.770 251 HB2 ASN 30 HB2 ASN 30 10.671 -7.730 5.397 252 HB3 ASN 30 HB1 ASN 30 10.254 -9.412 5.067 253 HD21 ASN 30 HD21 ASN 30 8.919 -9.300 7.094 254 HD22 ASN 30 HD22 ASN 30 9.681 -9.475 8.600 255 H THR 31 HN THR 31 13.749 -10.467 6.592 256 HA THR 31 HA THR 31 13.527 -12.913 4.903 257 HB THR 31 HB THR 31 15.326 -13.720 6.548 258 HG1 THR 31 HG1 THR 31 14.738 -11.205 7.492 259 HG21 THR 31 HG21 THR 31 15.860 -12.911 4.283 260 HG22 THR 31 HG22 THR 31 17.095 -12.399 5.434 261 HG23 THR 31 HG23 THR 31 15.879 -11.250 4.875 262 H HIS 32 HN HIS 32 11.804 -11.497 7.296 263 HA HIS 32 HA HIS 32 11.473 -13.842 9.045 264 HB2 HIS 32 HB2 HIS 32 11.349 -11.501 9.923 265 HB3 HIS 32 HB1 HIS 32 9.874 -11.269 8.983 266 HD1 HIS 32 HD1 HIS 32 11.191 -13.777 11.554 267 HD2 HIS 32 HD2 HIS 32 7.620 -11.954 10.412 268 HE1 HIS 32 HE1 HIS 32 9.424 -14.580 13.181 269 H GLU 33 HN GLU 33 9.992 -15.397 8.737 270 HA GLU 33 HA GLU 33 8.455 -15.700 6.406 271 HB2 GLU 33 HB2 GLU 33 7.255 -17.466 7.632 272 HB3 GLU 33 HB1 GLU 33 8.991 -17.548 7.937 273 HG2 GLU 33 HG2 GLU 33 8.651 -16.258 10.042 274 HG3 GLU 33 HG1 GLU 33 6.911 -16.294 9.757 275 H SER 34 HN SER 34 6.146 -15.624 6.081 276 HA SER 34 HA SER 34 3.948 -14.803 6.396 277 HB2 SER 34 HB2 SER 34 3.248 -13.907 8.427 278 HB3 SER 34 HB1 SER 34 4.659 -14.819 8.957 279 HG SER 34 HG SER 34 4.376 -12.436 9.526 280 H ILE 35 HN ILE 35 6.648 -12.565 6.984 281 HA ILE 35 HA ILE 35 5.251 -10.543 5.265 282 HB ILE 35 HB ILE 35 7.407 -10.246 7.369 283 HG12 ILE 35 HG12 ILE 35 4.617 -9.078 7.202 284 HG13 ILE 35 HG11 ILE 35 4.994 -10.564 8.067 285 HG21 ILE 35 HG21 ILE 35 7.938 -8.664 5.652 286 HG22 ILE 35 HG22 ILE 35 7.053 -7.769 6.884 287 HG23 ILE 35 HG23 ILE 35 6.238 -8.265 5.402 288 HD11 ILE 35 HD11 ILE 35 5.018 -8.739 9.657 289 HD12 ILE 35 HD12 ILE 35 6.109 -7.806 8.632 290 HD13 ILE 35 HD13 ILE 35 6.679 -9.281 9.415 291 H SER 36 HN SER 36 5.980 -10.491 3.241 292 HA SER 36 HA SER 36 8.519 -11.696 2.465 293 HB2 SER 36 HB2 SER 36 6.525 -11.772 0.999 294 HB3 SER 36 HB1 SER 36 6.551 -10.016 0.882 295 HG SER 36 HG SER 36 8.956 -10.723 0.282 296 H GLN 37 HN GLN 37 7.188 -8.374 2.455 297 HA GLN 37 HA GLN 37 9.942 -7.336 2.834 298 HB2 GLN 37 HB2 GLN 37 9.654 -7.359 0.394 299 HB3 GLN 37 HB1 GLN 37 8.137 -6.474 0.553 300 HG2 GLN 37 HG2 GLN 37 9.276 -4.541 1.458 301 HG3 GLN 37 HG1 GLN 37 10.794 -5.429 1.559 302 HE21 GLN 37 HE21 GLN 37 8.785 -3.522 -0.520 303 HE22 GLN 37 HE22 GLN 37 9.728 -3.675 -1.923 304 H VAL 38 HN VAL 38 9.979 -5.186 3.654 305 HA VAL 38 HA VAL 38 7.371 -3.949 4.346 306 HB VAL 38 HB VAL 38 8.104 -5.464 6.244 307 HG11 VAL 38 HG11 VAL 38 10.007 -4.868 7.566 308 HG12 VAL 38 HG12 VAL 38 10.240 -3.363 6.679 309 HG13 VAL 38 HG13 VAL 38 10.574 -4.908 5.897 310 HG21 VAL 38 HG21 VAL 38 7.852 -2.469 6.602 311 HG22 VAL 38 HG22 VAL 38 7.853 -3.588 7.965 312 HG23 VAL 38 HG23 VAL 38 6.585 -3.688 6.744 313 H GLY 39 HN GLY 39 7.497 -1.704 4.499 314 HA2 GLY 39 HA2 GLY 39 9.970 -0.274 4.801 315 HA3 GLY 39 HA1 GLY 39 9.536 -0.377 3.099 316 H LEU 40 HN LEU 40 9.220 1.937 3.047 317 HA LEU 40 HA LEU 40 6.555 2.723 4.157 318 HB2 LEU 40 HB2 LEU 40 8.133 5.079 4.269 319 HB3 LEU 40 HB1 LEU 40 7.547 4.145 5.640 320 HG LEU 40 HG LEU 40 9.610 2.690 5.416 321 HD11 LEU 40 HD11 LEU 40 11.390 3.342 4.003 322 HD12 LEU 40 HD12 LEU 40 10.714 4.949 3.739 323 HD13 LEU 40 HD13 LEU 40 9.974 3.551 2.976 324 HD21 LEU 40 HD21 LEU 40 9.944 5.653 5.936 325 HD22 LEU 40 HD22 LEU 40 11.101 4.414 6.422 326 HD23 LEU 40 HD23 LEU 40 9.478 4.424 7.112 327 H LEU 41 HN LEU 41 5.462 4.331 2.943 328 HA LEU 41 HA LEU 41 6.552 4.729 0.172 329 HB2 LEU 41 HB2 LEU 41 3.656 4.690 1.062 330 HB3 LEU 41 HB1 LEU 41 4.258 4.765 -0.595 331 HG LEU 41 HG LEU 41 4.709 2.474 1.334 332 HD11 LEU 41 HD11 LEU 41 3.204 1.230 -0.179 333 HD12 LEU 41 HD12 LEU 41 2.957 2.695 -1.129 334 HD13 LEU 41 HD13 LEU 41 2.385 2.618 0.537 335 HD21 LEU 41 HD21 LEU 41 6.577 2.445 -0.105 336 HD22 LEU 41 HD22 LEU 41 5.642 3.040 -1.479 337 HD23 LEU 41 HD23 LEU 41 5.440 1.380 -0.926 338 H GLY 42 HN GLY 42 6.968 6.778 -0.362 339 HA2 GLY 42 HA2 GLY 42 6.395 8.951 1.468 340 HA3 GLY 42 HA1 GLY 42 7.196 9.098 -0.091 341 H ASP 43 HN ASP 43 5.229 10.908 0.875 342 HA ASP 43 HA ASP 43 3.491 11.027 -1.413 343 HB2 ASP 43 HB2 ASP 43 2.346 9.255 0.018 344 HB3 ASP 43 HB1 ASP 43 2.078 10.520 1.220 345 H GLU 44 HN GLU 44 2.376 13.060 -1.472 346 HA GLU 44 HA GLU 44 3.662 15.223 -0.150 347 HB2 GLU 44 HB2 GLU 44 1.881 16.607 -1.084 348 HB3 GLU 44 HB1 GLU 44 2.371 15.403 -2.276 349 HG2 GLU 44 HG2 GLU 44 0.472 13.951 -1.510 350 HG3 GLU 44 HG1 GLU 44 -0.064 15.269 -0.467 351 H THR 45 HN THR 45 1.278 13.047 0.987 352 HA THR 45 HA THR 45 0.250 14.929 3.038 353 HB THR 45 HB THR 45 -1.297 13.157 3.608 354 HG1 THR 45 HG1 THR 45 -0.650 11.294 1.838 355 HG21 THR 45 HG21 THR 45 -0.925 13.146 0.600 356 HG22 THR 45 HG22 THR 45 -1.696 14.456 1.494 357 HG23 THR 45 HG23 THR 45 -2.423 12.850 1.481 358 H GLY 46 HN GLY 46 2.783 12.664 2.651 359 HA2 GLY 46 HA2 GLY 46 4.316 12.988 4.767 360 HA3 GLY 46 HA1 GLY 46 2.984 12.177 5.589 361 H ILE 47 HN ILE 47 4.294 10.385 6.136 362 HA ILE 47 HA ILE 47 4.941 8.561 3.840 363 HB ILE 47 HB ILE 47 6.476 8.962 6.424 364 HG12 ILE 47 HG12 ILE 47 7.356 9.301 3.547 365 HG13 ILE 47 HG11 ILE 47 6.787 10.636 4.545 366 HG21 ILE 47 HG21 ILE 47 6.553 6.629 5.962 367 HG22 ILE 47 HG22 ILE 47 8.038 7.274 5.265 368 HG23 ILE 47 HG23 ILE 47 6.667 6.898 4.222 369 HD11 ILE 47 HD11 ILE 47 9.149 8.839 5.162 370 HD12 ILE 47 HD12 ILE 47 8.572 10.152 6.189 371 HD13 ILE 47 HD13 ILE 47 9.240 10.506 4.596 372 H ILE 48 HN ILE 48 4.217 6.478 4.060 373 HA ILE 48 HA ILE 48 2.949 5.728 6.670 374 HB ILE 48 HB ILE 48 1.249 6.370 4.953 375 HG12 ILE 48 HG12 ILE 48 -0.083 4.262 5.148 376 HG13 ILE 48 HG11 ILE 48 1.356 3.430 5.722 377 HG21 ILE 48 HG21 ILE 48 2.228 3.920 3.463 378 HG22 ILE 48 HG22 ILE 48 2.661 5.568 3.009 379 HG23 ILE 48 HG23 ILE 48 0.975 5.054 2.956 380 HD11 ILE 48 HD11 ILE 48 -0.402 4.476 7.429 381 HD12 ILE 48 HD12 ILE 48 0.530 5.942 7.143 382 HD13 ILE 48 HD13 ILE 48 1.323 4.500 7.777 383 H LYS 49 HN LYS 49 3.196 3.621 7.306 384 HA LYS 49 HA LYS 49 5.348 2.119 6.001 385 HB2 LYS 49 HB2 LYS 49 3.696 1.612 8.482 386 HB3 LYS 49 HB1 LYS 49 4.989 0.549 7.935 387 HG2 LYS 49 HG2 LYS 49 5.549 3.493 8.263 388 HG3 LYS 49 HG1 LYS 49 5.494 2.470 9.694 389 HD2 LYS 49 HD2 LYS 49 7.147 1.572 7.337 390 HD3 LYS 49 HD1 LYS 49 7.780 2.829 8.393 391 HE2 LYS 49 HE2 LYS 49 7.577 1.377 10.330 392 HE3 LYS 49 HE1 LYS 49 6.780 0.136 9.365 393 HZ1 LYS 49 HZ1 LYS 49 9.092 0.694 8.015 394 HZ2 LYS 49 HZ2 LYS 49 8.795 -0.668 8.987 395 HZ3 LYS 49 HZ3 LYS 49 9.559 0.700 9.644 396 H PHE 50 HN PHE 50 5.120 0.032 5.095 397 HA PHE 50 HA PHE 50 2.365 -1.052 4.829 398 HB2 PHE 50 HB2 PHE 50 2.426 -1.139 2.450 399 HB3 PHE 50 HB1 PHE 50 2.909 0.501 2.867 400 HD1 PHE 50 HD1 PHE 50 5.444 1.016 2.998 401 HD2 PHE 50 HD2 PHE 50 3.838 -2.526 1.171 402 HE1 PHE 50 HE1 PHE 50 7.560 0.696 1.738 403 HE2 PHE 50 HE2 PHE 50 5.954 -2.845 -0.075 404 HZ PHE 50 HZ PHE 50 7.814 -1.236 0.208 405 H THR 51 HN THR 51 2.390 -3.296 4.038 406 HA THR 51 HA THR 51 5.048 -4.634 4.104 407 HB THR 51 HB THR 51 4.419 -4.778 6.414 408 HG1 THR 51 HG1 THR 51 3.350 -7.200 5.729 409 HG21 THR 51 HG21 THR 51 1.703 -5.670 5.425 410 HG22 THR 51 HG22 THR 51 2.074 -4.116 6.170 411 HG23 THR 51 HG23 THR 51 2.200 -5.599 7.116 412 H ILE 52 HN ILE 52 5.109 -6.475 2.847 413 HA ILE 52 HA ILE 52 2.600 -7.164 1.362 414 HB ILE 52 HB ILE 52 5.513 -7.589 0.636 415 HG12 ILE 52 HG12 ILE 52 3.421 -5.784 -0.615 416 HG13 ILE 52 HG11 ILE 52 4.614 -5.227 0.559 417 HG21 ILE 52 HG21 ILE 52 2.921 -8.303 -0.750 418 HG22 ILE 52 HG22 ILE 52 4.254 -9.378 -0.327 419 HG23 ILE 52 HG23 ILE 52 4.455 -8.186 -1.611 420 HD11 ILE 52 HD11 ILE 52 5.325 -6.595 -2.049 421 HD12 ILE 52 HD12 ILE 52 6.437 -5.826 -0.917 422 HD13 ILE 52 HD13 ILE 52 5.293 -4.846 -1.832 423 H TRP 53 HN TRP 53 1.660 -9.020 2.037 424 HA TRP 53 HA TRP 53 3.204 -10.953 3.633 425 HB2 TRP 53 HB2 TRP 53 0.297 -10.849 2.784 426 HB3 TRP 53 HB1 TRP 53 0.980 -12.097 3.828 427 HD1 TRP 53 HD1 TRP 53 0.628 -8.252 3.707 428 HE1 TRP 53 HE1 TRP 53 0.489 -7.372 6.128 429 HE3 TRP 53 HE3 TRP 53 1.288 -12.622 6.267 430 HZ2 TRP 53 HZ2 TRP 53 0.630 -8.397 8.798 431 HZ3 TRP 53 HZ3 TRP 53 1.277 -12.642 8.744 432 HH2 TRP 53 HH2 TRP 53 0.950 -10.537 10.012 433 H LYS 54 HN LYS 54 3.818 -12.978 2.961 434 HA LYS 54 HA LYS 54 4.378 -13.572 0.290 435 HB2 LYS 54 HB2 LYS 54 3.785 -15.435 2.602 436 HB3 LYS 54 HB1 LYS 54 4.455 -15.975 1.062 437 HG2 LYS 54 HG2 LYS 54 6.387 -14.468 1.369 438 HG3 LYS 54 HG1 LYS 54 5.711 -13.912 2.901 439 HD2 LYS 54 HD2 LYS 54 5.817 -16.222 3.783 440 HD3 LYS 54 HD1 LYS 54 6.524 -16.764 2.260 441 HE2 LYS 54 HE2 LYS 54 7.751 -14.615 4.012 442 HE3 LYS 54 HE1 LYS 54 8.219 -16.314 4.071 443 HZ1 LYS 54 HZ1 LYS 54 9.446 -16.072 2.256 444 HZ2 LYS 54 HZ2 LYS 54 9.196 -14.395 2.364 445 HZ3 LYS 54 HZ3 LYS 54 8.175 -15.350 1.398 446 H ASN 55 HN ASN 55 1.326 -13.750 1.920 447 HA ASN 55 HA ASN 55 0.014 -15.688 0.272 448 HB2 ASN 55 HB2 ASN 55 -1.159 -13.265 1.666 449 HB3 ASN 55 HB1 ASN 55 -2.068 -14.656 1.077 450 HD21 ASN 55 HD21 ASN 55 0.335 -16.424 1.956 451 HD22 ASN 55 HD22 ASN 55 0.113 -16.590 3.630 452 H ALA 56 HN ALA 56 0.501 -12.194 -0.091 453 HA ALA 56 HA ALA 56 -1.206 -11.805 -2.345 454 HB1 ALA 56 HB1 ALA 56 1.394 -10.312 -2.004 455 HB2 ALA 56 HB2 ALA 56 0.078 -10.077 -0.855 456 HB3 ALA 56 HB3 ALA 56 -0.167 -9.706 -2.560 457 H GLU 57 HN GLU 57 2.105 -12.961 -2.049 458 HA GLU 57 HA GLU 57 3.561 -13.917 -3.602 459 HB2 GLU 57 HB2 GLU 57 0.911 -14.536 -4.946 460 HB3 GLU 57 HB1 GLU 57 2.461 -15.193 -5.470 461 HG2 GLU 57 HG2 GLU 57 2.805 -16.208 -3.272 462 HG3 GLU 57 HG1 GLU 57 1.296 -15.504 -2.694 463 H LEU 58 HN LEU 58 3.120 -11.106 -3.809 464 HA LEU 58 HA LEU 58 3.133 -10.620 -6.750 465 HB2 LEU 58 HB2 LEU 58 3.024 -8.594 -4.507 466 HB3 LEU 58 HB1 LEU 58 2.729 -8.296 -6.218 467 HG LEU 58 HG LEU 58 1.073 -10.147 -4.481 468 HD11 LEU 58 HD11 LEU 58 0.883 -7.704 -3.914 469 HD12 LEU 58 HD12 LEU 58 -0.618 -8.411 -4.513 470 HD13 LEU 58 HD13 LEU 58 0.371 -7.409 -5.575 471 HD21 LEU 58 HD21 LEU 58 0.854 -10.917 -6.706 472 HD22 LEU 58 HD22 LEU 58 0.943 -9.287 -7.374 473 HD23 LEU 58 HD23 LEU 58 -0.508 -9.816 -6.524 474 HA PRO 59 HA PRO 59 7.549 -10.045 -6.598 475 HB2 PRO 59 HB2 PRO 59 7.896 -8.346 -8.746 476 HB3 PRO 59 HB1 PRO 59 7.576 -10.085 -8.903 477 HG2 PRO 59 HG2 PRO 59 5.694 -7.784 -9.172 478 HG3 PRO 59 HG1 PRO 59 5.788 -9.285 -10.114 479 HD2 PRO 59 HD2 PRO 59 3.933 -8.898 -8.138 480 HD3 PRO 59 HD1 PRO 59 4.575 -10.501 -8.559 481 H LEU 60 HN LEU 60 9.233 -8.385 -6.262 482 HA LEU 60 HA LEU 60 8.433 -6.386 -4.378 483 HB2 LEU 60 HB2 LEU 60 11.039 -6.546 -5.917 484 HB3 LEU 60 HB1 LEU 60 10.767 -5.688 -4.400 485 HG LEU 60 HG LEU 60 10.516 -8.684 -4.810 486 HD11 LEU 60 HD11 LEU 60 12.840 -7.966 -4.830 487 HD12 LEU 60 HD12 LEU 60 12.498 -8.737 -3.281 488 HD13 LEU 60 HD13 LEU 60 12.584 -6.979 -3.390 489 HD21 LEU 60 HD21 LEU 60 9.947 -6.855 -2.477 490 HD22 LEU 60 HD22 LEU 60 10.469 -8.514 -2.189 491 HD23 LEU 60 HD23 LEU 60 8.989 -8.204 -3.086 492 H LEU 61 HN LEU 61 8.429 -4.121 -4.536 493 HA LEU 61 HA LEU 61 7.639 -3.109 -7.192 494 HB2 LEU 61 HB2 LEU 61 7.511 -2.077 -4.363 495 HB3 LEU 61 HB1 LEU 61 7.259 -0.977 -5.720 496 HG LEU 61 HG LEU 61 5.467 -2.463 -6.577 497 HD11 LEU 61 HD11 LEU 61 4.632 -4.212 -4.878 498 HD12 LEU 61 HD12 LEU 61 6.216 -4.055 -4.118 499 HD13 LEU 61 HD13 LEU 61 6.091 -4.615 -5.785 500 HD21 LEU 61 HD21 LEU 61 4.930 -0.595 -5.030 501 HD22 LEU 61 HD22 LEU 61 5.108 -1.695 -3.662 502 HD23 LEU 61 HD23 LEU 61 3.815 -1.947 -4.834 503 H GLU 62 HN GLU 62 8.807 -1.663 -8.396 504 HA GLU 62 HA GLU 62 11.631 -1.442 -7.955 505 HB2 GLU 62 HB2 GLU 62 10.503 -1.347 -10.185 506 HB3 GLU 62 HB1 GLU 62 9.886 0.249 -9.764 507 HG2 GLU 62 HG2 GLU 62 11.896 0.548 -11.072 508 HG3 GLU 62 HG1 GLU 62 12.268 0.995 -9.409 509 H GLN 63 HN GLN 63 12.824 0.146 -7.012 510 HA GLN 63 HA GLN 63 11.522 1.994 -5.211 511 HB2 GLN 63 HB2 GLN 63 13.737 0.895 -4.804 512 HB3 GLN 63 HB1 GLN 63 14.425 1.926 -6.059 513 HG2 GLN 63 HG2 GLN 63 13.651 3.925 -4.779 514 HG3 GLN 63 HG1 GLN 63 13.098 2.855 -3.497 515 HE21 GLN 63 HE21 GLN 63 14.606 2.557 -1.864 516 HE22 GLN 63 HE22 GLN 63 16.288 2.689 -2.044 517 H GLY 64 HN GLY 64 11.092 4.145 -5.480 518 HA2 GLY 64 HA2 GLY 64 11.233 6.318 -6.419 519 HA3 GLY 64 HA1 GLY 64 12.390 5.706 -7.597 520 H GLU 65 HN GLU 65 9.279 4.153 -7.049 521 HA GLU 65 HA GLU 65 8.238 5.338 -9.588 522 HB2 GLU 65 HB2 GLU 65 8.395 2.386 -8.915 523 HB3 GLU 65 HB1 GLU 65 7.455 3.052 -10.249 524 HG2 GLU 65 HG2 GLU 65 10.442 3.435 -9.894 525 HG3 GLU 65 HG1 GLU 65 9.708 2.246 -10.969 526 H SER 66 HN SER 66 6.014 5.497 -9.718 527 HA SER 66 HA SER 66 4.606 5.501 -7.173 528 HB2 SER 66 HB2 SER 66 2.669 6.245 -8.650 529 HB3 SER 66 HB1 SER 66 4.085 7.294 -8.638 530 HG SER 66 HG SER 66 4.060 6.988 -10.715 531 H TYR 67 HN TYR 67 2.714 4.280 -6.684 532 HA TYR 67 HA TYR 67 2.100 1.974 -8.454 533 HB2 TYR 67 HB2 TYR 67 2.972 1.763 -5.561 534 HB3 TYR 67 HB1 TYR 67 2.180 0.457 -6.444 535 HD1 TYR 67 HD1 TYR 67 3.258 -0.502 -8.486 536 HD2 TYR 67 HD2 TYR 67 5.277 2.288 -5.925 537 HE1 TYR 67 HE1 TYR 67 5.428 -1.161 -9.483 538 HE2 TYR 67 HE2 TYR 67 7.450 1.628 -6.918 539 HH TYR 67 HH TYR 67 8.132 0.574 -9.303 540 H LEU 68 HN LEU 68 0.013 1.184 -8.176 541 HA LEU 68 HA LEU 68 -1.776 2.846 -6.437 542 HB2 LEU 68 HB2 LEU 68 -2.337 3.150 -8.752 543 HB3 LEU 68 HB1 LEU 68 -2.228 1.427 -9.073 544 HG LEU 68 HG LEU 68 -4.208 0.992 -7.745 545 HD11 LEU 68 HD11 LEU 68 -4.028 2.523 -5.930 546 HD12 LEU 68 HD12 LEU 68 -5.454 3.048 -6.820 547 HD13 LEU 68 HD13 LEU 68 -3.928 3.908 -7.014 548 HD21 LEU 68 HD21 LEU 68 -4.631 1.683 -10.043 549 HD22 LEU 68 HD22 LEU 68 -4.552 3.382 -9.575 550 HD23 LEU 68 HD23 LEU 68 -5.876 2.370 -8.998 551 H LEU 69 HN LEU 69 -2.531 1.760 -4.702 552 HA LEU 69 HA LEU 69 -2.475 -1.218 -4.690 553 HB2 LEU 69 HB2 LEU 69 -3.049 0.712 -2.425 554 HB3 LEU 69 HB1 LEU 69 -2.721 -1.013 -2.286 555 HG LEU 69 HG LEU 69 -0.796 1.095 -3.300 556 HD11 LEU 69 HD11 LEU 69 -1.206 1.047 -0.829 557 HD12 LEU 69 HD12 LEU 69 0.452 0.634 -1.267 558 HD13 LEU 69 HD13 LEU 69 -0.683 -0.638 -0.815 559 HD21 LEU 69 HD21 LEU 69 0.804 -0.972 -3.076 560 HD22 LEU 69 HD22 LEU 69 -0.208 -0.834 -4.510 561 HD23 LEU 69 HD23 LEU 69 -0.679 -1.920 -3.200 562 H ARG 70 HN ARG 70 -4.328 -2.410 -4.689 563 HA ARG 70 HA ARG 70 -6.937 -0.961 -4.382 564 HB2 ARG 70 HB2 ARG 70 -6.140 -3.022 -6.449 565 HB3 ARG 70 HB1 ARG 70 -7.815 -2.560 -6.133 566 HG2 ARG 70 HG2 ARG 70 -7.321 -0.237 -6.683 567 HG3 ARG 70 HG1 ARG 70 -5.616 -0.623 -6.886 568 HD2 ARG 70 HD2 ARG 70 -6.724 -0.506 -9.076 569 HD3 ARG 70 HD1 ARG 70 -6.185 -2.150 -8.746 570 HE ARG 70 HE ARG 70 -8.457 -2.830 -8.543 571 HH11 ARG 70 HH21 ARG 70 -8.099 0.599 -8.812 572 HH12 ARG 70 HH22 ARG 70 -9.788 0.880 -9.071 573 HH21 ARG 70 HH11 ARG 70 -10.652 -2.469 -8.882 574 HH22 ARG 70 HH12 ARG 70 -11.231 -0.853 -9.107 575 H SER 71 HN SER 71 -8.449 -1.967 -3.178 576 HA SER 71 HA SER 71 -9.361 -3.442 -1.628 577 HB2 SER 71 HB2 SER 71 -8.096 -5.330 -3.606 578 HB3 SER 71 HB1 SER 71 -8.963 -5.926 -2.196 579 HG SER 71 HG SER 71 -9.899 -4.355 -4.347 580 H VAL 72 HN VAL 72 -7.423 -2.291 -0.365 581 HA VAL 72 HA VAL 72 -5.706 -4.465 0.805 582 HB VAL 72 HB VAL 72 -4.222 -2.563 1.553 583 HG11 VAL 72 HG11 VAL 72 -4.544 -2.606 -1.453 584 HG12 VAL 72 HG12 VAL 72 -3.917 -3.995 -0.566 585 HG13 VAL 72 HG13 VAL 72 -3.060 -2.460 -0.513 586 HG21 VAL 72 HG21 VAL 72 -6.125 -0.856 1.201 587 HG22 VAL 72 HG22 VAL 72 -5.717 -0.934 -0.512 588 HG23 VAL 72 HG23 VAL 72 -4.518 -0.380 0.656 589 H VAL 73 HN VAL 73 -5.318 -4.279 3.117 590 HA VAL 73 HA VAL 73 -7.643 -3.043 4.555 591 HB VAL 73 HB VAL 73 -7.556 -5.540 4.575 592 HG11 VAL 73 HG11 VAL 73 -5.040 -5.185 6.229 593 HG12 VAL 73 HG12 VAL 73 -5.018 -5.633 4.524 594 HG13 VAL 73 HG13 VAL 73 -5.776 -6.699 5.704 595 HG21 VAL 73 HG21 VAL 73 -6.934 -4.371 7.298 596 HG22 VAL 73 HG22 VAL 73 -7.978 -5.742 6.929 597 HG23 VAL 73 HG23 VAL 73 -8.470 -4.112 6.470 598 H VAL 74 HN VAL 74 -7.190 -1.629 6.175 599 HA VAL 74 HA VAL 74 -4.364 -0.899 6.590 600 HB VAL 74 HB VAL 74 -6.806 0.352 7.851 601 HG11 VAL 74 HG11 VAL 74 -5.381 2.269 8.121 602 HG12 VAL 74 HG12 VAL 74 -4.124 1.553 7.112 603 HG13 VAL 74 HG13 VAL 74 -4.469 0.877 8.705 604 HG21 VAL 74 HG21 VAL 74 -5.471 0.988 5.198 605 HG22 VAL 74 HG22 VAL 74 -6.768 1.924 5.940 606 HG23 VAL 74 HG23 VAL 74 -7.073 0.277 5.393 607 H GLY 75 HN GLY 75 -3.250 -2.004 8.098 608 HA2 GLY 75 HA2 GLY 75 -4.682 -3.119 10.459 609 HA3 GLY 75 HA1 GLY 75 -3.070 -3.583 9.919 610 H GLU 76 HN GLU 76 -3.290 -3.044 12.537 611 HA GLU 76 HA GLU 76 -2.233 -0.257 12.894 612 HB2 GLU 76 HB2 GLU 76 -4.300 -0.793 14.174 613 HB3 GLU 76 HB1 GLU 76 -3.438 -2.114 14.964 614 HG2 GLU 76 HG2 GLU 76 -1.811 -0.542 15.894 615 HG3 GLU 76 HG1 GLU 76 -2.585 0.795 15.044 616 H TYR 77 HN TYR 77 -0.094 -0.161 13.244 617 HA TYR 77 HA TYR 77 1.257 -2.407 14.680 618 HB2 TYR 77 HB2 TYR 77 1.695 -2.796 12.333 619 HB3 TYR 77 HB1 TYR 77 2.141 -1.107 12.088 620 HD1 TYR 77 HD2 TYR 77 3.066 -4.131 14.105 621 HD2 TYR 77 HD1 TYR 77 4.380 -0.447 12.328 622 HE1 TYR 77 HE2 TYR 77 5.406 -4.658 14.737 623 HE2 TYR 77 HE1 TYR 77 6.716 -0.973 12.957 624 HH TYR 77 HH TYR 77 7.900 -2.354 14.629 625 H ASN 78 HN ASN 78 2.429 -1.657 16.333 626 HA ASN 78 HA ASN 78 3.522 -0.186 17.772 627 HB2 ASN 78 HB2 ASN 78 5.092 -0.214 15.759 628 HB3 ASN 78 HB1 ASN 78 4.362 1.322 15.290 629 HD21 ASN 78 HD21 ASN 78 5.959 -0.250 18.117 630 HD22 ASN 78 HD22 ASN 78 6.665 1.178 18.703 631 H ASP 79 HN ASP 79 0.822 0.338 17.441 632 HA ASP 79 HA ASP 79 -0.791 2.001 17.770 633 HB2 ASP 79 HB2 ASP 79 1.695 3.385 18.824 634 HB3 ASP 79 HB1 ASP 79 0.081 4.083 18.948 635 H ARG 80 HN ARG 80 0.647 1.837 15.182 636 HA ARG 80 HA ARG 80 0.078 4.619 14.221 637 HB2 ARG 80 HB2 ARG 80 2.529 4.199 14.320 638 HB3 ARG 80 HB1 ARG 80 2.313 2.815 13.248 639 HG2 ARG 80 HG2 ARG 80 1.388 4.282 11.507 640 HG3 ARG 80 HG1 ARG 80 1.546 5.674 12.578 641 HD2 ARG 80 HD2 ARG 80 4.018 5.205 12.694 642 HD3 ARG 80 HD1 ARG 80 3.786 3.971 11.456 643 HE ARG 80 HE ARG 80 2.693 6.547 10.667 644 HH11 ARG 80 HH21 ARG 80 5.518 4.588 10.928 645 HH12 ARG 80 HH22 ARG 80 6.354 5.395 9.643 646 HH21 ARG 80 HH11 ARG 80 3.768 7.609 8.995 647 HH22 ARG 80 HH12 ARG 80 5.364 7.105 8.548 648 H PHE 81 HN PHE 81 -0.764 4.735 12.089 649 HA PHE 81 HA PHE 81 -2.312 2.360 11.315 650 HB2 PHE 81 HB2 PHE 81 -2.141 5.119 10.068 651 HB3 PHE 81 HB1 PHE 81 -3.333 3.882 9.669 652 HD1 PHE 81 HD2 PHE 81 -5.009 3.163 11.360 653 HD2 PHE 81 HD1 PHE 81 -2.323 6.436 12.081 654 HE1 PHE 81 HE2 PHE 81 -6.438 3.923 13.238 655 HE2 PHE 81 HE1 PHE 81 -3.753 7.195 13.960 656 HZ PHE 81 HZ PHE 81 -5.811 5.938 14.539 657 H GLN 82 HN GLN 82 -1.992 1.162 9.416 658 HA GLN 82 HA GLN 82 0.053 2.018 7.476 659 HB2 GLN 82 HB2 GLN 82 1.269 -0.181 7.695 660 HB3 GLN 82 HB1 GLN 82 1.486 0.910 9.062 661 HG2 GLN 82 HG2 GLN 82 -0.070 -0.307 10.403 662 HG3 GLN 82 HG1 GLN 82 -0.645 -1.235 9.017 663 HE21 GLN 82 HE21 GLN 82 -0.006 -3.318 9.797 664 HE22 GLN 82 HE22 GLN 82 1.621 -3.757 10.020 665 H VAL 83 HN VAL 83 0.145 0.443 5.608 666 HA VAL 83 HA VAL 83 -2.542 -0.820 5.203 667 HB VAL 83 HB VAL 83 -1.848 -0.624 2.724 668 HG11 VAL 83 HG11 VAL 83 -2.677 1.658 2.608 669 HG12 VAL 83 HG12 VAL 83 -2.246 1.943 4.293 670 HG13 VAL 83 HG13 VAL 83 -3.540 0.816 3.889 671 HG21 VAL 83 HG21 VAL 83 -0.114 0.903 2.167 672 HG22 VAL 83 HG22 VAL 83 0.578 -0.102 3.440 673 HG23 VAL 83 HG23 VAL 83 -0.010 1.516 3.817 674 H GLN 84 HN GLN 84 -2.660 -2.960 4.852 675 HA GLN 84 HA GLN 84 -0.097 -4.486 4.512 676 HB2 GLN 84 HB2 GLN 84 -2.736 -5.376 5.721 677 HB3 GLN 84 HB1 GLN 84 -1.262 -6.344 5.617 678 HG2 GLN 84 HG2 GLN 84 -0.074 -4.640 6.985 679 HG3 GLN 84 HG1 GLN 84 -1.581 -3.738 7.135 680 HE21 GLN 84 HE21 GLN 84 -2.870 -6.657 7.146 681 HE22 GLN 84 HE22 GLN 84 -2.734 -7.093 8.781 682 H VAL 85 HN VAL 85 0.119 -5.389 2.539 683 HA VAL 85 HA VAL 85 -2.240 -5.618 0.766 684 HB VAL 85 HB VAL 85 0.673 -6.220 0.188 685 HG11 VAL 85 HG11 VAL 85 -1.779 -5.778 -1.537 686 HG12 VAL 85 HG12 VAL 85 -0.781 -7.231 -1.447 687 HG13 VAL 85 HG13 VAL 85 -0.133 -5.759 -2.169 688 HG21 VAL 85 HG21 VAL 85 -0.939 -3.689 -0.272 689 HG22 VAL 85 HG22 VAL 85 0.726 -3.956 -0.790 690 HG23 VAL 85 HG23 VAL 85 0.339 -3.880 0.928 691 H ASN 86 HN ASN 86 -3.254 -7.518 0.388 692 HA ASN 86 HA ASN 86 -1.815 -10.081 0.892 693 HB2 ASN 86 HB2 ASN 86 -4.645 -9.634 1.874 694 HB3 ASN 86 HB1 ASN 86 -3.544 -10.955 2.271 695 HD21 ASN 86 HD21 ASN 86 -4.520 -7.731 3.128 696 HD22 ASN 86 HD22 ASN 86 -3.414 -7.508 4.397 697 H LYS 87 HN LYS 87 -3.575 -11.900 0.236 698 HA LYS 87 HA LYS 87 -3.848 -11.933 -2.508 699 HB2 LYS 87 HB2 LYS 87 -5.588 -13.637 -2.223 700 HB3 LYS 87 HB1 LYS 87 -4.278 -13.882 -1.070 701 HG2 LYS 87 HG2 LYS 87 -5.612 -12.704 0.667 702 HG3 LYS 87 HG1 LYS 87 -6.936 -12.535 -0.486 703 HD2 LYS 87 HD2 LYS 87 -7.062 -14.990 -0.708 704 HD3 LYS 87 HD1 LYS 87 -5.742 -15.162 0.448 705 HE2 LYS 87 HE2 LYS 87 -7.107 -14.048 2.177 706 HE3 LYS 87 HE1 LYS 87 -8.429 -13.875 1.021 707 HZ1 LYS 87 HZ1 LYS 87 -8.243 -15.925 2.664 708 HZ2 LYS 87 HZ2 LYS 87 -7.322 -16.550 1.381 709 HZ3 LYS 87 HZ3 LYS 87 -8.929 -16.065 1.119 710 H ASN 88 HN ASN 88 -5.839 -11.832 -3.862 711 HA ASN 88 HA ASN 88 -7.725 -10.731 -4.700 712 HB2 ASN 88 HB2 ASN 88 -8.489 -11.125 -2.193 713 HB3 ASN 88 HB1 ASN 88 -8.209 -9.391 -2.040 714 HD21 ASN 88 HD21 ASN 88 -9.694 -7.961 -3.012 715 HD22 ASN 88 HD22 ASN 88 -11.086 -8.475 -3.836 716 H SER 89 HN SER 89 -5.399 -9.010 -2.729 717 HA SER 89 HA SER 89 -6.025 -6.371 -3.678 718 HB2 SER 89 HB2 SER 89 -3.335 -7.340 -2.708 719 HB3 SER 89 HB1 SER 89 -3.984 -5.704 -2.631 720 HG SER 89 HG SER 89 -5.148 -6.243 -0.943 721 H SER 90 HN SER 90 -4.926 -5.131 -5.259 722 HA SER 90 HA SER 90 -3.222 -6.662 -7.197 723 HB2 SER 90 HB2 SER 90 -5.528 -6.504 -8.076 724 HB3 SER 90 HB1 SER 90 -5.484 -4.757 -7.877 725 HG SER 90 HG SER 90 -4.288 -6.384 -9.770 726 H ILE 91 HN ILE 91 -1.606 -5.423 -8.186 727 HA ILE 91 HA ILE 91 -1.309 -2.593 -7.225 728 HB ILE 91 HB ILE 91 0.831 -4.719 -7.527 729 HG12 ILE 91 HG12 ILE 91 -0.042 -3.148 -5.086 730 HG13 ILE 91 HG11 ILE 91 -0.636 -4.765 -5.461 731 HG21 ILE 91 HG21 ILE 91 2.285 -2.845 -6.573 732 HG22 ILE 91 HG22 ILE 91 0.966 -1.746 -6.975 733 HG23 ILE 91 HG23 ILE 91 1.784 -2.647 -8.252 734 HD11 ILE 91 HD11 ILE 91 2.217 -3.940 -4.879 735 HD12 ILE 91 HD12 ILE 91 1.791 -5.515 -5.546 736 HD13 ILE 91 HD13 ILE 91 1.208 -5.047 -3.952 737 H GLU 92 HN GLU 92 -0.933 -1.140 -8.828 738 HA GLU 92 HA GLU 92 -0.101 -2.187 -11.522 739 HB2 GLU 92 HB2 GLU 92 -2.502 -1.589 -11.505 740 HB3 GLU 92 HB1 GLU 92 -2.088 0.030 -10.942 741 HG2 GLU 92 HG2 GLU 92 -0.803 0.455 -12.970 742 HG3 GLU 92 HG1 GLU 92 -1.081 -1.196 -13.525 743 H LYS 93 HN LYS 93 1.653 -1.192 -12.343 744 HA LYS 93 HA LYS 93 2.961 0.929 -10.822 745 HB2 LYS 93 HB2 LYS 93 4.248 -0.875 -11.924 746 HB3 LYS 93 HB1 LYS 93 3.678 -0.314 -13.495 747 HG2 LYS 93 HG2 LYS 93 4.784 1.842 -13.167 748 HG3 LYS 93 HG1 LYS 93 5.286 1.365 -11.544 749 HD2 LYS 93 HD2 LYS 93 6.601 -0.499 -12.511 750 HD3 LYS 93 HD1 LYS 93 6.122 0.013 -14.129 751 HE2 LYS 93 HE2 LYS 93 7.655 1.719 -12.148 752 HE3 LYS 93 HE1 LYS 93 8.368 0.876 -13.520 753 HZ1 LYS 93 HZ1 LYS 93 7.918 2.715 -14.663 754 HZ2 LYS 93 HZ2 LYS 93 6.903 3.335 -13.451 755 HZ3 LYS 93 HZ3 LYS 93 6.288 2.251 -14.606 756 H LEU 94 HN LEU 94 2.843 3.095 -11.237 757 HA LEU 94 HA LEU 94 1.387 3.966 -13.713 758 HB2 LEU 94 HB2 LEU 94 1.739 5.412 -11.072 759 HB3 LEU 94 HB1 LEU 94 0.799 5.985 -12.449 760 HG LEU 94 HG LEU 94 0.269 3.435 -10.891 761 HD11 LEU 94 HD11 LEU 94 -0.965 6.191 -10.851 762 HD12 LEU 94 HD12 LEU 94 -0.412 5.207 -9.494 763 HD13 LEU 94 HD13 LEU 94 -1.888 4.773 -10.354 764 HD21 LEU 94 HD21 LEU 94 -0.951 4.649 -13.369 765 HD22 LEU 94 HD22 LEU 94 -1.969 3.712 -12.276 766 HD23 LEU 94 HD23 LEU 94 -0.567 2.960 -13.028 767 H SER 95 HN SER 95 2.335 5.355 -15.086 768 HA SER 95 HA SER 95 5.204 5.898 -14.738 769 HB2 SER 95 HB2 SER 95 5.082 6.710 -17.043 770 HB3 SER 95 HB1 SER 95 4.281 5.146 -16.916 771 HG SER 95 HG SER 95 2.931 6.525 -18.030 772 H GLU 96 HN GLU 96 2.755 7.312 -13.331 773 HA GLU 96 HA GLU 96 3.662 10.128 -13.867 774 HB2 GLU 96 HB2 GLU 96 0.984 9.110 -12.887 775 HB3 GLU 96 HB1 GLU 96 1.434 10.812 -13.024 776 HG2 GLU 96 HG2 GLU 96 1.735 10.616 -15.408 777 HG3 GLU 96 HG1 GLU 96 1.535 8.865 -15.339 778 HA PRO 97 HA PRO 97 5.225 9.070 -9.623 779 HB2 PRO 97 HB2 PRO 97 6.758 11.570 -10.233 780 HB3 PRO 97 HB1 PRO 97 7.336 10.024 -9.576 781 HG2 PRO 97 HG2 PRO 97 7.819 10.698 -12.099 782 HG3 PRO 97 HG1 PRO 97 7.426 9.024 -11.659 783 HD2 PRO 97 HD2 PRO 97 5.674 11.086 -12.965 784 HD3 PRO 97 HD1 PRO 97 5.772 9.334 -13.254 785 H ILE 98 HN ILE 98 4.802 10.079 -7.607 786 HA ILE 98 HA ILE 98 2.659 12.033 -7.629 787 HB ILE 98 HB ILE 98 4.303 10.914 -5.347 788 HG12 ILE 98 HG12 ILE 98 3.114 9.157 -6.552 789 HG13 ILE 98 HG11 ILE 98 2.338 9.430 -4.997 790 HG21 ILE 98 HG21 ILE 98 1.875 12.685 -5.445 791 HG22 ILE 98 HG22 ILE 98 3.316 12.818 -4.436 792 HG23 ILE 98 HG23 ILE 98 2.109 11.584 -4.086 793 HD11 ILE 98 HD11 ILE 98 0.835 11.109 -6.421 794 HD12 ILE 98 HD12 ILE 98 0.483 9.389 -6.380 795 HD13 ILE 98 HD13 ILE 98 1.351 10.073 -7.749 796 H GLU 99 HN GLU 99 5.829 12.363 -8.087 797 HA GLU 99 HA GLU 99 7.422 14.080 -7.748 798 HB2 GLU 99 HB2 GLU 99 5.731 15.004 -9.401 799 HB3 GLU 99 HB1 GLU 99 4.959 15.821 -8.042 800 HG2 GLU 99 HG2 GLU 99 6.461 17.412 -9.027 801 HG3 GLU 99 HG1 GLU 99 7.223 16.869 -7.533 802 H VAL 100 HN VAL 100 7.201 13.190 -5.323 803 HA VAL 100 HA VAL 100 6.220 15.340 -3.517 804 HB VAL 100 HB VAL 100 5.380 13.158 -2.944 805 HG11 VAL 100 HG11 VAL 100 6.957 11.256 -2.526 806 HG12 VAL 100 HG12 VAL 100 8.271 12.252 -3.152 807 HG13 VAL 100 HG13 VAL 100 6.943 11.776 -4.211 808 HG21 VAL 100 HG21 VAL 100 6.152 12.961 -0.713 809 HG22 VAL 100 HG22 VAL 100 6.426 14.653 -1.125 810 HG23 VAL 100 HG23 VAL 100 7.771 13.514 -1.141 811 H GLY 101 HN GLY 101 9.091 13.982 -4.867 812 HA2 GLY 101 HA2 GLY 101 10.817 14.988 -2.689 813 HA3 GLY 101 HA1 GLY 101 11.360 14.108 -4.116 814 H LEU 102 HN LEU 102 11.231 17.123 -2.694 815 HA LEU 102 HA LEU 102 11.145 18.690 -5.190 816 HB2 LEU 102 HB2 LEU 102 11.464 19.323 -2.257 817 HB3 LEU 102 HB1 LEU 102 11.794 20.553 -3.477 818 HG LEU 102 HG LEU 102 9.512 20.210 -4.406 819 HD11 LEU 102 HD11 LEU 102 7.914 18.927 -2.861 820 HD12 LEU 102 HD12 LEU 102 9.356 18.236 -2.119 821 HD13 LEU 102 HD13 LEU 102 9.018 17.951 -3.826 822 HD21 LEU 102 HD21 LEU 102 8.280 21.199 -2.462 823 HD22 LEU 102 HD22 LEU 102 9.836 21.976 -2.752 824 HD23 LEU 102 HD23 LEU 102 9.661 20.816 -1.435 825 H GLU 103 HN GLU 103 13.411 16.800 -3.663 826 HA GLU 103 HA GLU 103 15.774 18.406 -3.794 827 HB2 GLU 103 HB2 GLU 103 15.361 15.408 -3.948 828 HB3 GLU 103 HB1 GLU 103 16.952 16.167 -3.862 829 HG2 GLU 103 HG2 GLU 103 16.366 17.228 -1.735 830 HG3 GLU 103 HG1 GLU 103 14.735 16.563 -1.831 831 H HIS 104 HN HIS 104 17.279 18.697 -5.447 832 HA HIS 104 HA HIS 104 16.294 18.250 -8.190 833 HB2 HIS 104 HB2 HIS 104 18.738 19.638 -7.054 834 HB3 HIS 104 HB1 HIS 104 18.415 19.508 -8.783 835 HD1 HIS 104 HD1 HIS 104 17.095 21.111 -5.633 836 HD2 HIS 104 HD2 HIS 104 16.350 21.197 -9.734 837 HE1 HIS 104 HE1 HIS 104 15.512 23.048 -6.034 838 H HIS 105 HN HIS 105 18.056 16.512 -5.948 839 HA HIS 105 HA HIS 105 19.473 14.650 -6.085 840 HB2 HIS 105 HB2 HIS 105 18.083 14.490 -8.776 841 HB3 HIS 105 HB1 HIS 105 19.111 13.217 -8.122 842 HD1 HIS 105 HD1 HIS 105 15.773 14.840 -7.697 843 HD2 HIS 105 HD2 HIS 105 18.004 11.817 -5.895 844 HE1 HIS 105 HE1 HIS 105 14.183 13.591 -6.173 845 H HIS 106 HN HIS 106 20.091 14.205 -9.285 846 HA HIS 106 HA HIS 106 22.177 16.222 -9.637 847 HB2 HIS 106 HB2 HIS 106 23.327 14.684 -8.109 848 HB3 HIS 106 HB1 HIS 106 22.919 13.319 -9.149 849 HD1 HIS 106 HD1 HIS 106 24.793 16.633 -9.380 850 HD2 HIS 106 HD2 HIS 106 24.805 12.846 -11.121 851 HE1 HIS 106 HE1 HIS 106 26.776 16.575 -10.955 852 H HIS 107 HN HIS 107 22.752 16.369 -11.809 853 HA HIS 107 HA HIS 107 21.360 14.470 -13.665 854 HB2 HIS 107 HB2 HIS 107 22.258 17.340 -14.024 855 HB3 HIS 107 HB1 HIS 107 21.590 16.343 -15.317 856 HD1 HIS 107 HD1 HIS 107 19.107 15.339 -14.795 857 HD2 HIS 107 HD2 HIS 107 20.323 18.557 -12.439 858 HE1 HIS 107 HE1 HIS 107 17.010 16.287 -13.739 859 H HIS 108 HN HIS 108 22.536 13.374 -15.174 860 HA HIS 108 HA HIS 108 25.419 13.246 -14.828 861 HB2 HIS 108 HB2 HIS 108 25.307 11.479 -16.523 862 HB3 HIS 108 HB1 HIS 108 24.041 11.248 -15.321 863 HD1 HIS 108 HD1 HIS 108 21.580 11.811 -16.042 864 HD2 HIS 108 HD2 HIS 108 24.373 12.077 -19.125 865 HE1 HIS 108 HE1 HIS 108 20.257 11.901 -18.200 866 H HIS 109 HN HIS 109 27.006 13.974 -16.226 867 HA HIS 109 HA HIS 109 26.299 16.174 -18.005 868 HB2 HIS 109 HB2 HIS 109 28.938 14.798 -17.427 869 HB3 HIS 109 HB1 HIS 109 28.764 16.276 -18.373 870 HD1 HIS 109 HD1 HIS 109 27.693 18.369 -17.050 871 HD2 HIS 109 HD2 HIS 109 28.986 15.201 -14.667 872 HE1 HIS 109 HE1 HIS 109 27.858 19.269 -14.689 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -11.179 1.215 -12.907 2 H2 MET 1 HT2 MET 1 -11.371 1.859 -11.347 3 H3 MET 1 HT3 MET 1 -10.614 2.777 -12.560 4 HA MET 1 HA MET 1 -12.543 3.339 -13.578 5 HB2 MET 1 HB2 MET 1 -13.135 0.951 -13.990 6 HB3 MET 1 HB1 MET 1 -13.809 0.862 -12.364 7 HG2 MET 1 HG2 MET 1 -15.437 2.604 -12.910 8 HG3 MET 1 HG1 MET 1 -14.727 2.794 -14.514 9 HE1 MET 1 HE1 MET 1 -16.943 2.591 -15.532 10 HE2 MET 1 HE2 MET 1 -17.878 2.186 -14.095 11 HE3 MET 1 HE3 MET 1 -18.005 1.176 -15.534 12 H GLU 2 HN GLU 2 -12.219 5.018 -11.980 13 HA GLU 2 HA GLU 2 -12.919 6.402 -10.234 14 HB2 GLU 2 HB2 GLU 2 -15.418 4.694 -10.164 15 HB3 GLU 2 HB1 GLU 2 -15.250 6.382 -9.683 16 HG2 GLU 2 HG2 GLU 2 -14.931 5.307 -12.502 17 HG3 GLU 2 HG1 GLU 2 -16.315 6.217 -11.896 18 HA PRO 3 HA PRO 3 -12.025 2.783 -7.276 19 HB2 PRO 3 HB2 PRO 3 -9.384 3.379 -6.782 20 HB3 PRO 3 HB1 PRO 3 -9.915 2.293 -8.083 21 HG2 PRO 3 HG2 PRO 3 -9.145 5.177 -8.232 22 HG3 PRO 3 HG1 PRO 3 -8.727 3.842 -9.324 23 HD2 PRO 3 HD2 PRO 3 -10.699 5.619 -9.920 24 HD3 PRO 3 HD1 PRO 3 -10.784 3.915 -10.421 25 H GLN 4 HN GLN 4 -12.057 3.044 -5.020 26 HA GLN 4 HA GLN 4 -12.574 5.740 -4.059 27 HB2 GLN 4 HB2 GLN 4 -12.379 3.058 -2.659 28 HB3 GLN 4 HB1 GLN 4 -12.817 4.556 -1.838 29 HG2 GLN 4 HG2 GLN 4 -14.288 3.444 -4.245 30 HG3 GLN 4 HG1 GLN 4 -14.806 3.210 -2.576 31 HE21 GLN 4 HE21 GLN 4 -15.441 5.188 -1.345 32 HE22 GLN 4 HE22 GLN 4 -15.937 6.580 -2.179 33 H LEU 5 HN LEU 5 -10.636 6.891 -4.292 34 HA LEU 5 HA LEU 5 -8.122 5.887 -3.215 35 HB2 LEU 5 HB2 LEU 5 -8.901 8.717 -3.981 36 HB3 LEU 5 HB1 LEU 5 -7.258 8.105 -3.779 37 HG LEU 5 HG LEU 5 -9.268 7.139 -5.836 38 HD11 LEU 5 HD11 LEU 5 -7.640 8.158 -7.446 39 HD12 LEU 5 HD12 LEU 5 -6.766 8.836 -6.072 40 HD13 LEU 5 HD13 LEU 5 -8.423 9.344 -6.402 41 HD21 LEU 5 HD21 LEU 5 -6.503 6.224 -5.046 42 HD22 LEU 5 HD22 LEU 5 -7.035 6.050 -6.718 43 HD23 LEU 5 HD23 LEU 5 -7.929 5.258 -5.426 44 H THR 6 HN THR 6 -7.237 6.287 -1.226 45 HA THR 6 HA THR 6 -8.735 8.079 0.653 46 HB THR 6 HB THR 6 -7.618 5.318 1.212 47 HG1 THR 6 HG1 THR 6 -9.970 5.228 1.901 48 HG21 THR 6 HG21 THR 6 -8.750 7.456 3.027 49 HG22 THR 6 HG22 THR 6 -7.174 6.674 3.137 50 HG23 THR 6 HG23 THR 6 -8.639 5.760 3.496 51 H LYS 7 HN LYS 7 -7.442 9.494 1.701 52 HA LYS 7 HA LYS 7 -4.556 9.433 1.144 53 HB2 LYS 7 HB2 LYS 7 -6.325 11.402 2.620 54 HB3 LYS 7 HB1 LYS 7 -4.593 11.627 2.373 55 HG2 LYS 7 HG2 LYS 7 -4.916 11.511 -0.065 56 HG3 LYS 7 HG1 LYS 7 -6.647 11.264 0.170 57 HD2 LYS 7 HD2 LYS 7 -6.834 13.454 1.258 58 HD3 LYS 7 HD1 LYS 7 -5.096 13.703 1.088 59 HE2 LYS 7 HE2 LYS 7 -6.236 14.874 -0.717 60 HE3 LYS 7 HE1 LYS 7 -5.355 13.503 -1.391 61 HZ1 LYS 7 HZ1 LYS 7 -7.997 12.795 -0.564 62 HZ2 LYS 7 HZ2 LYS 7 -7.233 12.560 -2.063 63 HZ3 LYS 7 HZ3 LYS 7 -8.011 14.032 -1.725 64 H ILE 8 HN ILE 8 -2.957 9.591 2.869 65 HA ILE 8 HA ILE 8 -3.292 7.648 4.934 66 HB ILE 8 HB ILE 8 -1.275 9.888 4.593 67 HG12 ILE 8 HG12 ILE 8 -1.001 6.903 4.124 68 HG13 ILE 8 HG11 ILE 8 -1.390 8.057 2.849 69 HG21 ILE 8 HG21 ILE 8 -1.435 7.620 6.585 70 HG22 ILE 8 HG22 ILE 8 -1.206 9.338 6.906 71 HG23 ILE 8 HG23 ILE 8 0.093 8.398 6.176 72 HD11 ILE 8 HD11 ILE 8 1.067 7.506 3.022 73 HD12 ILE 8 HD12 ILE 8 1.066 8.277 4.608 74 HD13 ILE 8 HD13 ILE 8 0.701 9.225 3.170 75 H VAL 9 HN VAL 9 -3.403 11.209 5.005 76 HA VAL 9 HA VAL 9 -3.809 11.421 7.837 77 HB VAL 9 HB VAL 9 -3.068 13.287 6.346 78 HG11 VAL 9 HG11 VAL 9 -4.622 14.412 4.923 79 HG12 VAL 9 HG12 VAL 9 -5.983 13.498 5.572 80 HG13 VAL 9 HG13 VAL 9 -4.786 12.695 4.555 81 HG21 VAL 9 HG21 VAL 9 -4.409 15.026 7.466 82 HG22 VAL 9 HG22 VAL 9 -3.983 13.742 8.597 83 HG23 VAL 9 HG23 VAL 9 -5.610 13.816 7.918 84 H ASP 10 HN ASP 10 -5.933 10.621 5.206 85 HA ASP 10 HA ASP 10 -8.410 11.308 6.555 86 HB2 ASP 10 HB2 ASP 10 -8.114 11.002 4.056 87 HB3 ASP 10 HB1 ASP 10 -8.009 9.268 4.352 88 H ILE 11 HN ILE 11 -6.108 8.970 7.200 89 HA ILE 11 HA ILE 11 -7.874 6.757 7.854 90 HB ILE 11 HB ILE 11 -5.014 7.362 8.654 91 HG12 ILE 11 HG12 ILE 11 -6.126 5.310 6.722 92 HG13 ILE 11 HG11 ILE 11 -5.559 6.901 6.220 93 HG21 ILE 11 HG21 ILE 11 -5.864 5.918 10.354 94 HG22 ILE 11 HG22 ILE 11 -5.031 4.860 9.217 95 HG23 ILE 11 HG23 ILE 11 -6.790 4.971 9.189 96 HD11 ILE 11 HD11 ILE 11 -3.345 6.384 7.281 97 HD12 ILE 11 HD12 ILE 11 -3.743 5.320 5.933 98 HD13 ILE 11 HD13 ILE 11 -3.926 4.747 7.591 99 H VAL 12 HN VAL 12 -9.109 6.572 9.625 100 HA VAL 12 HA VAL 12 -8.421 8.167 12.071 101 HB VAL 12 HB VAL 12 -10.975 8.295 12.376 102 HG11 VAL 12 HG11 VAL 12 -11.136 10.249 10.801 103 HG12 VAL 12 HG12 VAL 12 -9.585 9.764 10.116 104 HG13 VAL 12 HG13 VAL 12 -9.684 10.270 11.802 105 HG21 VAL 12 HG21 VAL 12 -10.970 7.870 9.380 106 HG22 VAL 12 HG22 VAL 12 -12.359 7.981 10.459 107 HG23 VAL 12 HG23 VAL 12 -11.318 6.559 10.506 108 H GLU 13 HN GLU 13 -9.809 5.244 10.661 109 HA GLU 13 HA GLU 13 -9.537 3.919 13.331 110 HB2 GLU 13 HB2 GLU 13 -11.869 3.675 11.406 111 HB3 GLU 13 HB1 GLU 13 -11.622 2.641 12.814 112 HG2 GLU 13 HG2 GLU 13 -11.853 5.662 12.937 113 HG3 GLU 13 HG1 GLU 13 -13.181 4.550 13.264 114 H ASN 14 HN ASN 14 -8.845 1.799 13.269 115 HA ASN 14 HA ASN 14 -7.442 0.971 10.865 116 HB2 ASN 14 HB2 ASN 14 -7.821 -0.205 13.617 117 HB3 ASN 14 HB1 ASN 14 -6.931 -1.045 12.354 118 HD21 ASN 14 HD21 ASN 14 -6.490 1.038 14.931 119 HD22 ASN 14 HD22 ASN 14 -5.036 1.767 14.445 120 H GLY 15 HN GLY 15 -7.793 -1.054 9.762 121 HA2 GLY 15 HA2 GLY 15 -9.068 -2.960 9.099 122 HA3 GLY 15 HA1 GLY 15 -10.326 -2.494 10.245 123 H GLN 16 HN GLN 16 -9.313 0.179 8.474 124 HA GLN 16 HA GLN 16 -11.851 0.295 7.055 125 HB2 GLN 16 HB2 GLN 16 -10.730 2.308 8.003 126 HB3 GLN 16 HB1 GLN 16 -9.435 2.112 6.822 127 HG2 GLN 16 HG2 GLN 16 -11.089 2.329 4.985 128 HG3 GLN 16 HG1 GLN 16 -12.367 2.558 6.179 129 HE21 GLN 16 HE21 GLN 16 -9.071 3.936 5.578 130 HE22 GLN 16 HE22 GLN 16 -9.544 5.546 5.839 131 H TRP 17 HN TRP 17 -12.236 -0.255 4.957 132 HA TRP 17 HA TRP 17 -9.962 -1.342 3.366 133 HB2 TRP 17 HB2 TRP 17 -12.967 -1.620 3.116 134 HB3 TRP 17 HB1 TRP 17 -11.819 -2.286 1.951 135 HD1 TRP 17 HD1 TRP 17 -12.993 -2.662 5.564 136 HE1 TRP 17 HE1 TRP 17 -12.158 -4.924 6.477 137 HE3 TRP 17 HE3 TRP 17 -10.009 -4.123 1.690 138 HZ2 TRP 17 HZ2 TRP 17 -10.448 -7.072 5.666 139 HZ3 TRP 17 HZ3 TRP 17 -8.790 -6.278 1.784 140 HH2 TRP 17 HH2 TRP 17 -9.005 -7.754 3.766 141 H ALA 18 HN ALA 18 -9.287 -0.348 1.516 142 HA ALA 18 HA ALA 18 -10.899 1.241 -0.200 143 HB1 ALA 18 HB1 ALA 18 -9.748 3.488 0.369 144 HB2 ALA 18 HB2 ALA 18 -9.388 2.758 1.934 145 HB3 ALA 18 HB3 ALA 18 -11.062 2.965 1.420 146 H ASN 19 HN ASN 19 -9.206 2.882 -1.435 147 HA ASN 19 HA ASN 19 -6.898 1.123 -2.169 148 HB2 ASN 19 HB2 ASN 19 -8.257 3.370 -3.686 149 HB3 ASN 19 HB1 ASN 19 -6.883 2.432 -4.274 150 HD21 ASN 19 HD21 ASN 19 -8.480 0.181 -2.541 151 HD22 ASN 19 HD22 ASN 19 -9.534 -0.434 -3.721 152 H LEU 20 HN LEU 20 -4.822 2.108 -2.483 153 HA LEU 20 HA LEU 20 -4.491 4.882 -1.444 154 HB2 LEU 20 HB2 LEU 20 -4.081 3.410 0.476 155 HB3 LEU 20 HB1 LEU 20 -2.949 2.455 -0.476 156 HG LEU 20 HG LEU 20 -1.467 4.406 -0.717 157 HD11 LEU 20 HD11 LEU 20 -2.116 6.398 0.888 158 HD12 LEU 20 HD12 LEU 20 -3.757 5.798 0.655 159 HD13 LEU 20 HD13 LEU 20 -2.803 6.322 -0.733 160 HD21 LEU 20 HD21 LEU 20 -1.303 2.893 1.279 161 HD22 LEU 20 HD22 LEU 20 -2.283 4.053 2.178 162 HD23 LEU 20 HD23 LEU 20 -0.698 4.523 1.568 163 H LYS 21 HN LYS 21 -2.928 6.011 -2.526 164 HA LYS 21 HA LYS 21 -1.151 4.502 -4.414 165 HB2 LYS 21 HB2 LYS 21 -2.934 5.533 -5.719 166 HB3 LYS 21 HB1 LYS 21 -2.647 7.085 -4.935 167 HG2 LYS 21 HG2 LYS 21 -0.462 7.274 -5.921 168 HG3 LYS 21 HG1 LYS 21 -0.516 5.612 -6.504 169 HD2 LYS 21 HD2 LYS 21 -0.984 7.113 -8.356 170 HD3 LYS 21 HD1 LYS 21 -2.455 6.236 -7.950 171 HE2 LYS 21 HE2 LYS 21 -3.415 8.119 -6.875 172 HE3 LYS 21 HE1 LYS 21 -1.862 8.949 -6.762 173 HZ1 LYS 21 HZ1 LYS 21 -3.205 8.289 -9.324 174 HZ2 LYS 21 HZ2 LYS 21 -1.830 9.263 -9.105 175 HZ3 LYS 21 HZ3 LYS 21 -3.346 9.789 -8.544 176 H ALA 22 HN ALA 22 0.962 5.078 -4.294 177 HA ALA 22 HA ALA 22 1.823 7.731 -3.530 178 HB1 ALA 22 HB1 ALA 22 1.946 5.524 -1.470 179 HB2 ALA 22 HB2 ALA 22 1.310 7.158 -1.282 180 HB3 ALA 22 HB3 ALA 22 3.048 6.903 -1.431 181 H LYS 23 HN LYS 23 4.347 7.568 -3.007 182 HA LYS 23 HA LYS 23 5.484 5.694 -5.044 183 HB2 LYS 23 HB2 LYS 23 7.404 7.320 -5.054 184 HB3 LYS 23 HB1 LYS 23 5.876 7.992 -5.622 185 HG2 LYS 23 HG2 LYS 23 5.493 9.131 -3.563 186 HG3 LYS 23 HG1 LYS 23 6.768 8.231 -2.743 187 HD2 LYS 23 HD2 LYS 23 7.617 10.444 -3.255 188 HD3 LYS 23 HD1 LYS 23 8.430 9.287 -4.307 189 HE2 LYS 23 HE2 LYS 23 7.093 9.897 -6.184 190 HE3 LYS 23 HE1 LYS 23 5.942 10.772 -5.174 191 HZ1 LYS 23 HZ1 LYS 23 8.506 11.611 -6.212 192 HZ2 LYS 23 HZ2 LYS 23 8.248 12.002 -4.579 193 HZ3 LYS 23 HZ3 LYS 23 7.158 12.540 -5.766 194 H VAL 24 HN VAL 24 7.282 4.454 -4.565 195 HA VAL 24 HA VAL 24 7.639 3.853 -1.707 196 HB VAL 24 HB VAL 24 8.815 2.638 -4.221 197 HG11 VAL 24 HG11 VAL 24 9.101 1.897 -1.300 198 HG12 VAL 24 HG12 VAL 24 10.388 2.221 -2.462 199 HG13 VAL 24 HG13 VAL 24 9.415 0.758 -2.608 200 HG21 VAL 24 HG21 VAL 24 7.182 0.949 -3.966 201 HG22 VAL 24 HG22 VAL 24 6.293 2.429 -3.617 202 HG23 VAL 24 HG23 VAL 24 6.844 1.398 -2.298 203 H ILE 25 HN ILE 25 8.821 5.518 -0.772 204 HA ILE 25 HA ILE 25 11.100 6.789 -1.972 205 HB ILE 25 HB ILE 25 10.491 6.453 0.977 206 HG12 ILE 25 HG12 ILE 25 8.504 7.307 -0.126 207 HG13 ILE 25 HG11 ILE 25 9.286 8.635 0.726 208 HG21 ILE 25 HG21 ILE 25 12.084 8.485 -0.604 209 HG22 ILE 25 HG22 ILE 25 12.693 7.363 0.613 210 HG23 ILE 25 HG23 ILE 25 11.637 8.694 1.088 211 HD11 ILE 25 HD11 ILE 25 8.813 9.588 -1.362 212 HD12 ILE 25 HD12 ILE 25 9.170 8.099 -2.232 213 HD13 ILE 25 HD13 ILE 25 10.484 9.066 -1.570 214 H GLN 26 HN GLN 26 10.788 4.106 0.367 215 HA GLN 26 HA GLN 26 13.372 3.048 -0.561 216 HB2 GLN 26 HB2 GLN 26 13.958 4.601 1.302 217 HB3 GLN 26 HB1 GLN 26 12.889 3.687 2.366 218 HG2 GLN 26 HG2 GLN 26 15.182 2.926 2.673 219 HG3 GLN 26 HG1 GLN 26 14.250 1.640 1.918 220 HE21 GLN 26 HE21 GLN 26 15.902 0.642 0.656 221 HE22 GLN 26 HE22 GLN 26 16.775 1.456 -0.552 222 H LEU 27 HN LEU 27 13.587 0.849 -0.138 223 HA LEU 27 HA LEU 27 11.249 -0.532 1.116 224 HB2 LEU 27 HB2 LEU 27 11.248 -2.177 -0.632 225 HB3 LEU 27 HB1 LEU 27 11.206 -0.599 -1.410 226 HG LEU 27 HG LEU 27 13.672 -2.346 -1.046 227 HD11 LEU 27 HD11 LEU 27 13.580 -2.550 -3.484 228 HD12 LEU 27 HD12 LEU 27 12.128 -1.549 -3.526 229 HD13 LEU 27 HD13 LEU 27 12.082 -3.137 -2.760 230 HD21 LEU 27 HD21 LEU 27 13.277 0.480 -2.021 231 HD22 LEU 27 HD22 LEU 27 14.543 -0.510 -2.744 232 HD23 LEU 27 HD23 LEU 27 14.568 -0.182 -1.018 233 H TRP 28 HN TRP 28 11.733 -2.385 2.290 234 HA TRP 28 HA TRP 28 14.626 -3.137 2.531 235 HB2 TRP 28 HB2 TRP 28 12.590 -2.695 4.732 236 HB3 TRP 28 HB1 TRP 28 14.117 -3.544 4.980 237 HD1 TRP 28 HD1 TRP 28 12.642 -0.117 4.670 238 HE1 TRP 28 HE1 TRP 28 14.504 1.659 4.847 239 HE3 TRP 28 HE3 TRP 28 16.759 -3.118 4.336 240 HZ2 TRP 28 HZ2 TRP 28 17.362 1.787 4.848 241 HZ3 TRP 28 HZ3 TRP 28 19.036 -2.145 4.427 242 HH2 TRP 28 HH2 TRP 28 19.343 0.302 4.682 243 H GLU 29 HN GLU 29 14.530 -5.033 1.422 244 HA GLU 29 HA GLU 29 12.326 -6.848 1.414 245 HB2 GLU 29 HB2 GLU 29 13.998 -8.467 0.459 246 HB3 GLU 29 HB1 GLU 29 13.919 -6.926 -0.389 247 HG2 GLU 29 HG2 GLU 29 15.911 -7.352 1.842 248 HG3 GLU 29 HG1 GLU 29 16.265 -7.896 0.205 249 H ASN 30 HN ASN 30 12.080 -8.896 2.480 250 HA ASN 30 HA ASN 30 13.986 -9.513 4.666 251 HB2 ASN 30 HB2 ASN 30 12.144 -9.742 6.317 252 HB3 ASN 30 HB1 ASN 30 12.351 -8.083 5.774 253 HD21 ASN 30 HD21 ASN 30 10.425 -11.010 4.848 254 HD22 ASN 30 HD22 ASN 30 9.019 -10.133 4.479 255 H THR 31 HN THR 31 14.343 -11.648 4.740 256 HA THR 31 HA THR 31 12.632 -13.425 3.087 257 HB THR 31 HB THR 31 15.280 -13.966 4.466 258 HG1 THR 31 HG1 THR 31 14.847 -13.530 1.717 259 HG21 THR 31 HG21 THR 31 15.381 -15.843 2.819 260 HG22 THR 31 HG22 THR 31 13.723 -15.469 2.346 261 HG23 THR 31 HG23 THR 31 14.070 -16.018 3.986 262 H HIS 32 HN HIS 32 10.834 -13.579 4.573 263 HA HIS 32 HA HIS 32 11.379 -15.366 6.914 264 HB2 HIS 32 HB2 HIS 32 9.518 -12.983 6.767 265 HB3 HIS 32 HB1 HIS 32 9.520 -14.154 8.084 266 HD1 HIS 32 HD1 HIS 32 11.692 -11.508 6.482 267 HD2 HIS 32 HD2 HIS 32 11.640 -13.867 9.917 268 HE1 HIS 32 HE1 HIS 32 13.543 -10.638 7.976 269 H GLU 33 HN GLU 33 9.486 -16.671 7.492 270 HA GLU 33 HA GLU 33 8.255 -17.875 5.202 271 HB2 GLU 33 HB2 GLU 33 7.684 -18.079 8.168 272 HB3 GLU 33 HB1 GLU 33 6.904 -19.096 6.953 273 HG2 GLU 33 HG2 GLU 33 9.074 -19.953 6.226 274 HG3 GLU 33 HG1 GLU 33 9.904 -18.870 7.344 275 H SER 34 HN SER 34 7.091 -15.490 7.562 276 HA SER 34 HA SER 34 4.440 -15.416 6.187 277 HB2 SER 34 HB2 SER 34 4.586 -15.575 8.697 278 HB3 SER 34 HB1 SER 34 5.326 -13.977 8.701 279 HG SER 34 HG SER 34 3.240 -13.714 7.200 280 H ILE 35 HN ILE 35 6.904 -13.097 7.379 281 HA ILE 35 HA ILE 35 5.746 -10.950 5.791 282 HB ILE 35 HB ILE 35 8.455 -10.978 7.145 283 HG12 ILE 35 HG12 ILE 35 5.850 -10.019 8.353 284 HG13 ILE 35 HG11 ILE 35 6.453 -11.648 8.634 285 HG21 ILE 35 HG21 ILE 35 8.256 -8.602 7.128 286 HG22 ILE 35 HG22 ILE 35 6.551 -8.675 6.683 287 HG23 ILE 35 HG23 ILE 35 7.788 -9.119 5.508 288 HD11 ILE 35 HD11 ILE 35 7.224 -10.287 10.454 289 HD12 ILE 35 HD12 ILE 35 7.823 -9.051 9.348 290 HD13 ILE 35 HD13 ILE 35 8.617 -10.626 9.427 291 H SER 36 HN SER 36 6.300 -10.336 3.770 292 HA SER 36 HA SER 36 8.424 -11.872 2.348 293 HB2 SER 36 HB2 SER 36 6.026 -11.654 1.476 294 HB3 SER 36 HB1 SER 36 6.395 -9.962 1.163 295 HG SER 36 HG SER 36 7.123 -12.197 -0.205 296 H GLN 37 HN GLN 37 7.202 -8.499 2.357 297 HA GLN 37 HA GLN 37 9.977 -7.502 2.588 298 HB2 GLN 37 HB2 GLN 37 9.656 -7.791 0.160 299 HB3 GLN 37 HB1 GLN 37 8.182 -6.830 0.232 300 HG2 GLN 37 HG2 GLN 37 10.497 -5.440 1.446 301 HG3 GLN 37 HG1 GLN 37 10.754 -5.827 -0.252 302 HE21 GLN 37 HE21 GLN 37 9.925 -4.326 -1.690 303 HE22 GLN 37 HE22 GLN 37 8.688 -3.218 -1.344 304 H VAL 38 HN VAL 38 10.052 -5.312 3.303 305 HA VAL 38 HA VAL 38 7.415 -4.024 3.898 306 HB VAL 38 HB VAL 38 8.271 -3.411 6.145 307 HG11 VAL 38 HG11 VAL 38 6.912 -5.509 5.668 308 HG12 VAL 38 HG12 VAL 38 7.852 -5.542 7.155 309 HG13 VAL 38 HG13 VAL 38 8.426 -6.403 5.729 310 HG21 VAL 38 HG21 VAL 38 10.658 -3.506 5.780 311 HG22 VAL 38 HG22 VAL 38 10.570 -5.204 5.310 312 HG23 VAL 38 HG23 VAL 38 10.259 -4.733 6.981 313 H GLY 39 HN GLY 39 7.618 -1.693 4.321 314 HA2 GLY 39 HA2 GLY 39 10.046 -0.241 4.031 315 HA3 GLY 39 HA1 GLY 39 9.321 -0.393 2.431 316 H LEU 40 HN LEU 40 9.207 2.065 2.714 317 HA LEU 40 HA LEU 40 6.591 2.752 3.986 318 HB2 LEU 40 HB2 LEU 40 7.558 4.948 4.668 319 HB3 LEU 40 HB1 LEU 40 8.257 3.586 5.530 320 HG LEU 40 HG LEU 40 9.630 4.410 2.988 321 HD11 LEU 40 HD11 LEU 40 9.296 6.597 3.922 322 HD12 LEU 40 HD12 LEU 40 10.949 6.119 4.312 323 HD13 LEU 40 HD13 LEU 40 9.692 6.030 5.546 324 HD21 LEU 40 HD21 LEU 40 11.633 3.858 4.350 325 HD22 LEU 40 HD22 LEU 40 10.480 2.527 4.338 326 HD23 LEU 40 HD23 LEU 40 10.597 3.578 5.748 327 H LEU 41 HN LEU 41 5.395 4.354 2.951 328 HA LEU 41 HA LEU 41 6.302 4.961 0.155 329 HB2 LEU 41 HB2 LEU 41 3.475 4.940 1.247 330 HB3 LEU 41 HB1 LEU 41 3.975 5.010 -0.441 331 HG LEU 41 HG LEU 41 4.512 2.689 1.430 332 HD11 LEU 41 HD11 LEU 41 2.819 1.503 0.159 333 HD12 LEU 41 HD12 LEU 41 2.601 2.886 -0.914 334 HD13 LEU 41 HD13 LEU 41 2.112 2.996 0.777 335 HD21 LEU 41 HD21 LEU 41 5.031 1.591 -0.858 336 HD22 LEU 41 HD22 LEU 41 6.242 2.683 -0.192 337 HD23 LEU 41 HD23 LEU 41 5.160 3.240 -1.471 338 H GLY 42 HN GLY 42 6.585 7.054 -0.366 339 HA2 GLY 42 HA2 GLY 42 5.909 9.122 1.658 340 HA3 GLY 42 HA1 GLY 42 7.047 9.313 0.328 341 H ASP 43 HN ASP 43 4.715 10.969 1.136 342 HA ASP 43 HA ASP 43 3.750 11.583 -1.485 343 HB2 ASP 43 HB2 ASP 43 1.369 10.996 -1.196 344 HB3 ASP 43 HB1 ASP 43 2.379 9.552 -1.162 345 H GLU 44 HN GLU 44 2.029 13.340 -1.335 346 HA GLU 44 HA GLU 44 2.835 15.339 0.526 347 HB2 GLU 44 HB2 GLU 44 1.742 15.776 -1.674 348 HB3 GLU 44 HB1 GLU 44 0.225 15.176 -1.004 349 HG2 GLU 44 HG2 GLU 44 0.206 16.935 0.671 350 HG3 GLU 44 HG1 GLU 44 1.800 17.490 0.159 351 H THR 45 HN THR 45 0.673 12.689 0.905 352 HA THR 45 HA THR 45 -0.858 13.959 3.079 353 HB THR 45 HB THR 45 -1.946 11.758 3.276 354 HG1 THR 45 HG1 THR 45 -1.215 10.054 2.114 355 HG21 THR 45 HG21 THR 45 -2.859 13.218 1.600 356 HG22 THR 45 HG22 THR 45 -2.770 11.610 0.880 357 HG23 THR 45 HG23 THR 45 -1.563 12.829 0.471 358 H GLY 46 HN GLY 46 2.217 12.812 2.831 359 HA2 GLY 46 HA2 GLY 46 3.552 12.909 4.931 360 HA3 GLY 46 HA1 GLY 46 2.282 11.979 5.717 361 H ILE 47 HN ILE 47 3.625 10.259 6.293 362 HA ILE 47 HA ILE 47 4.529 8.517 4.028 363 HB ILE 47 HB ILE 47 6.017 9.107 6.606 364 HG12 ILE 47 HG12 ILE 47 6.843 9.561 3.728 365 HG13 ILE 47 HG11 ILE 47 6.120 10.816 4.730 366 HG21 ILE 47 HG21 ILE 47 7.759 7.616 5.500 367 HG22 ILE 47 HG22 ILE 47 6.502 7.131 4.363 368 HG23 ILE 47 HG23 ILE 47 6.318 6.781 6.082 369 HD11 ILE 47 HD11 ILE 47 7.955 10.513 6.380 370 HD12 ILE 47 HD12 ILE 47 8.557 11.003 4.796 371 HD13 ILE 47 HD13 ILE 47 8.692 9.321 5.310 372 H ILE 48 HN ILE 48 3.997 6.380 4.273 373 HA ILE 48 HA ILE 48 2.980 5.475 6.940 374 HB ILE 48 HB ILE 48 1.059 6.098 5.478 375 HG12 ILE 48 HG12 ILE 48 1.292 3.098 5.825 376 HG13 ILE 48 HG11 ILE 48 1.021 4.205 7.171 377 HG21 ILE 48 HG21 ILE 48 1.955 3.796 3.730 378 HG22 ILE 48 HG22 ILE 48 2.302 5.482 3.340 379 HG23 ILE 48 HG23 ILE 48 0.633 4.925 3.438 380 HD11 ILE 48 HD11 ILE 48 -0.996 5.082 5.928 381 HD12 ILE 48 HD12 ILE 48 -1.137 3.404 6.452 382 HD13 ILE 48 HD13 ILE 48 -0.769 3.773 4.768 383 H LYS 49 HN LYS 49 3.502 3.380 7.447 384 HA LYS 49 HA LYS 49 5.512 2.076 5.762 385 HB2 LYS 49 HB2 LYS 49 4.401 1.628 8.513 386 HB3 LYS 49 HB1 LYS 49 5.323 0.345 7.722 387 HG2 LYS 49 HG2 LYS 49 7.250 1.771 7.482 388 HG3 LYS 49 HG1 LYS 49 6.335 3.184 8.001 389 HD2 LYS 49 HD2 LYS 49 7.649 2.459 9.876 390 HD3 LYS 49 HD1 LYS 49 5.971 2.045 10.216 391 HE2 LYS 49 HE2 LYS 49 7.658 0.220 10.741 392 HE3 LYS 49 HE1 LYS 49 6.346 -0.271 9.678 393 HZ1 LYS 49 HZ1 LYS 49 8.760 0.813 8.439 394 HZ2 LYS 49 HZ2 LYS 49 7.718 -0.414 7.895 395 HZ3 LYS 49 HZ3 LYS 49 8.861 -0.742 9.107 396 H PHE 50 HN PHE 50 5.307 -0.139 4.993 397 HA PHE 50 HA PHE 50 2.529 -1.211 4.926 398 HB2 PHE 50 HB2 PHE 50 2.501 -1.452 2.553 399 HB3 PHE 50 HB1 PHE 50 2.968 0.216 2.865 400 HD1 PHE 50 HD2 PHE 50 5.391 0.894 2.655 401 HD2 PHE 50 HD1 PHE 50 3.979 -2.994 1.493 402 HE1 PHE 50 HE2 PHE 50 7.456 0.536 1.322 403 HE2 PHE 50 HE1 PHE 50 6.039 -3.349 0.165 404 HZ PHE 50 HZ PHE 50 7.778 -1.588 0.077 405 H THR 51 HN THR 51 2.423 -3.436 4.518 406 HA THR 51 HA THR 51 5.011 -4.927 4.521 407 HB THR 51 HB THR 51 2.590 -5.442 6.275 408 HG1 THR 51 HG1 THR 51 3.745 -4.552 7.784 409 HG21 THR 51 HG21 THR 51 5.081 -7.053 5.717 410 HG22 THR 51 HG22 THR 51 3.399 -7.581 5.650 411 HG23 THR 51 HG23 THR 51 4.158 -7.251 7.206 412 H ILE 52 HN ILE 52 5.042 -6.521 3.011 413 HA ILE 52 HA ILE 52 2.489 -7.119 1.583 414 HB ILE 52 HB ILE 52 5.370 -7.593 0.783 415 HG12 ILE 52 HG12 ILE 52 3.346 -5.618 -0.306 416 HG13 ILE 52 HG11 ILE 52 4.552 -5.196 0.908 417 HG21 ILE 52 HG21 ILE 52 2.736 -8.042 -0.646 418 HG22 ILE 52 HG22 ILE 52 3.966 -9.248 -0.266 419 HG23 ILE 52 HG23 ILE 52 4.294 -8.003 -1.471 420 HD11 ILE 52 HD11 ILE 52 5.167 -4.720 -1.540 421 HD12 ILE 52 HD12 ILE 52 5.320 -6.467 -1.722 422 HD13 ILE 52 HD13 ILE 52 6.354 -5.606 -0.584 423 H TRP 53 HN TRP 53 1.518 -9.026 1.952 424 HA TRP 53 HA TRP 53 3.011 -11.148 3.394 425 HB2 TRP 53 HB2 TRP 53 0.080 -10.941 2.626 426 HB3 TRP 53 HB1 TRP 53 0.790 -12.179 3.664 427 HD1 TRP 53 HD1 TRP 53 -0.813 -8.886 3.822 428 HE1 TRP 53 HE1 TRP 53 -0.469 -7.794 6.132 429 HE3 TRP 53 HE3 TRP 53 2.838 -11.924 5.700 430 HZ2 TRP 53 HZ2 TRP 53 1.143 -8.160 8.467 431 HZ3 TRP 53 HZ3 TRP 53 3.760 -11.528 7.965 432 HH2 TRP 53 HH2 TRP 53 2.919 -9.652 9.350 433 H LYS 54 HN LYS 54 3.733 -12.956 2.354 434 HA LYS 54 HA LYS 54 3.356 -13.150 -0.550 435 HB2 LYS 54 HB2 LYS 54 4.881 -15.154 -0.279 436 HB3 LYS 54 HB1 LYS 54 5.549 -13.627 0.296 437 HG2 LYS 54 HG2 LYS 54 5.090 -14.187 2.586 438 HG3 LYS 54 HG1 LYS 54 4.125 -15.585 2.114 439 HD2 LYS 54 HD2 LYS 54 6.285 -16.406 2.817 440 HD3 LYS 54 HD1 LYS 54 6.205 -16.560 1.063 441 HE2 LYS 54 HE2 LYS 54 7.571 -14.612 0.741 442 HE3 LYS 54 HE1 LYS 54 7.445 -14.166 2.443 443 HZ1 LYS 54 HZ1 LYS 54 9.564 -15.253 1.851 444 HZ2 LYS 54 HZ2 LYS 54 8.706 -16.662 1.445 445 HZ3 LYS 54 HZ3 LYS 54 8.702 -16.094 3.046 446 H ASN 55 HN ASN 55 0.890 -13.404 0.381 447 HA ASN 55 HA ASN 55 0.149 -16.141 1.041 448 HB2 ASN 55 HB2 ASN 55 -1.481 -13.755 0.110 449 HB3 ASN 55 HB1 ASN 55 -2.177 -15.288 0.636 450 HD21 ASN 55 HD21 ASN 55 -2.220 -12.460 1.885 451 HD22 ASN 55 HD22 ASN 55 -1.712 -12.713 3.486 452 H ALA 56 HN ALA 56 1.255 -14.721 -1.748 453 HA ALA 56 HA ALA 56 0.219 -16.940 -3.402 454 HB1 ALA 56 HB1 ALA 56 -1.479 -15.239 -3.787 455 HB2 ALA 56 HB2 ALA 56 -0.458 -15.339 -5.219 456 HB3 ALA 56 HB3 ALA 56 -0.244 -14.014 -4.075 457 H GLU 57 HN GLU 57 1.479 -13.961 -4.722 458 HA GLU 57 HA GLU 57 4.256 -14.490 -4.606 459 HB2 GLU 57 HB2 GLU 57 4.519 -15.230 -7.061 460 HB3 GLU 57 HB1 GLU 57 4.003 -16.465 -5.917 461 HG2 GLU 57 HG2 GLU 57 1.657 -16.123 -6.594 462 HG3 GLU 57 HG1 GLU 57 2.159 -14.866 -7.722 463 H LEU 58 HN LEU 58 3.520 -12.145 -4.258 464 HA LEU 58 HA LEU 58 2.879 -10.671 -6.715 465 HB2 LEU 58 HB2 LEU 58 3.531 -9.511 -4.001 466 HB3 LEU 58 HB1 LEU 58 2.597 -8.765 -5.297 467 HG LEU 58 HG LEU 58 1.807 -11.178 -3.639 468 HD11 LEU 58 HD11 LEU 58 -0.006 -9.762 -2.871 469 HD12 LEU 58 HD12 LEU 58 0.458 -8.485 -3.995 470 HD13 LEU 58 HD13 LEU 58 1.510 -8.890 -2.637 471 HD21 LEU 58 HD21 LEU 58 -0.370 -10.896 -5.022 472 HD22 LEU 58 HD22 LEU 58 0.996 -11.679 -5.812 473 HD23 LEU 58 HD23 LEU 58 0.629 -9.988 -6.158 474 HA PRO 59 HA PRO 59 7.132 -9.723 -7.646 475 HB2 PRO 59 HB2 PRO 59 6.829 -7.472 -9.162 476 HB3 PRO 59 HB1 PRO 59 6.360 -9.085 -9.738 477 HG2 PRO 59 HG2 PRO 59 4.647 -6.927 -8.571 478 HG3 PRO 59 HG1 PRO 59 4.351 -7.958 -9.985 479 HD2 PRO 59 HD2 PRO 59 3.226 -8.476 -7.553 480 HD3 PRO 59 HD1 PRO 59 3.665 -9.766 -8.697 481 H LEU 60 HN LEU 60 8.850 -8.232 -7.130 482 HA LEU 60 HA LEU 60 8.357 -6.694 -4.709 483 HB2 LEU 60 HB2 LEU 60 10.858 -6.867 -6.416 484 HB3 LEU 60 HB1 LEU 60 10.765 -6.256 -4.762 485 HG LEU 60 HG LEU 60 10.085 -9.083 -5.632 486 HD11 LEU 60 HD11 LEU 60 12.464 -7.936 -4.141 487 HD12 LEU 60 HD12 LEU 60 12.483 -8.686 -5.737 488 HD13 LEU 60 HD13 LEU 60 12.130 -9.660 -4.310 489 HD21 LEU 60 HD21 LEU 60 9.921 -7.612 -3.001 490 HD22 LEU 60 HD22 LEU 60 10.244 -9.345 -3.013 491 HD23 LEU 60 HD23 LEU 60 8.760 -8.725 -3.726 492 H LEU 61 HN LEU 61 8.321 -4.493 -4.469 493 HA LEU 61 HA LEU 61 7.673 -2.935 -6.856 494 HB2 LEU 61 HB2 LEU 61 7.726 -2.378 -3.891 495 HB3 LEU 61 HB1 LEU 61 7.463 -1.083 -5.059 496 HG LEU 61 HG LEU 61 5.564 -2.373 -6.023 497 HD11 LEU 61 HD11 LEU 61 4.716 -4.258 -4.433 498 HD12 LEU 61 HD12 LEU 61 6.377 -4.300 -3.843 499 HD13 LEU 61 HD13 LEU 61 6.035 -4.632 -5.541 500 HD21 LEU 61 HD21 LEU 61 4.066 -2.141 -3.971 501 HD22 LEU 61 HD22 LEU 61 4.993 -0.704 -4.401 502 HD23 LEU 61 HD23 LEU 61 5.521 -1.727 -3.064 503 H GLU 62 HN GLU 62 8.859 -1.198 -7.681 504 HA GLU 62 HA GLU 62 11.751 -1.237 -7.034 505 HB2 GLU 62 HB2 GLU 62 10.170 0.071 -9.270 506 HB3 GLU 62 HB1 GLU 62 11.920 0.183 -9.095 507 HG2 GLU 62 HG2 GLU 62 11.671 -1.628 -10.569 508 HG3 GLU 62 HG1 GLU 62 11.850 -2.433 -9.014 509 H GLN 63 HN GLN 63 12.874 0.565 -6.333 510 HA GLN 63 HA GLN 63 11.368 2.493 -4.774 511 HB2 GLN 63 HB2 GLN 63 13.552 1.579 -4.055 512 HB3 GLN 63 HB1 GLN 63 14.325 2.398 -5.411 513 HG2 GLN 63 HG2 GLN 63 13.657 4.569 -4.555 514 HG3 GLN 63 HG1 GLN 63 12.713 3.812 -3.271 515 HE21 GLN 63 HE21 GLN 63 14.869 5.640 -2.716 516 HE22 GLN 63 HE22 GLN 63 16.105 4.774 -1.940 517 H GLY 64 HN GLY 64 11.066 4.670 -5.158 518 HA2 GLY 64 HA2 GLY 64 11.211 6.741 -6.288 519 HA3 GLY 64 HA1 GLY 64 12.371 6.018 -7.400 520 H GLU 65 HN GLU 65 9.382 4.324 -6.884 521 HA GLU 65 HA GLU 65 8.302 5.414 -9.461 522 HB2 GLU 65 HB2 GLU 65 8.501 2.506 -8.624 523 HB3 GLU 65 HB1 GLU 65 7.598 3.084 -10.024 524 HG2 GLU 65 HG2 GLU 65 10.562 3.553 -9.583 525 HG3 GLU 65 HG1 GLU 65 9.895 2.290 -10.618 526 H SER 66 HN SER 66 6.093 5.526 -9.638 527 HA SER 66 HA SER 66 4.619 5.633 -7.125 528 HB2 SER 66 HB2 SER 66 2.719 6.304 -8.691 529 HB3 SER 66 HB1 SER 66 4.128 7.364 -8.678 530 HG SER 66 HG SER 66 3.173 6.496 -10.785 531 H TYR 67 HN TYR 67 2.729 4.400 -6.644 532 HA TYR 67 HA TYR 67 2.174 2.035 -8.354 533 HB2 TYR 67 HB2 TYR 67 2.947 1.908 -5.425 534 HB3 TYR 67 HB1 TYR 67 2.248 0.564 -6.329 535 HD1 TYR 67 HD2 TYR 67 3.465 -0.402 -8.279 536 HD2 TYR 67 HD1 TYR 67 5.241 2.540 -5.705 537 HE1 TYR 67 HE2 TYR 67 5.706 -0.988 -9.159 538 HE2 TYR 67 HE1 TYR 67 7.485 1.954 -6.584 539 HH TYR 67 HH TYR 67 7.871 -0.257 -9.293 540 H LEU 68 HN LEU 68 0.069 1.287 -8.144 541 HA LEU 68 HA LEU 68 -1.751 2.961 -6.448 542 HB2 LEU 68 HB2 LEU 68 -2.288 3.244 -8.770 543 HB3 LEU 68 HB1 LEU 68 -2.161 1.518 -9.083 544 HG LEU 68 HG LEU 68 -4.153 1.093 -7.726 545 HD11 LEU 68 HD11 LEU 68 -4.023 2.752 -6.013 546 HD12 LEU 68 HD12 LEU 68 -5.461 3.153 -6.949 547 HD13 LEU 68 HD13 LEU 68 -3.969 4.060 -7.194 548 HD21 LEU 68 HD21 LEU 68 -4.732 3.432 -9.548 549 HD22 LEU 68 HD22 LEU 68 -5.782 2.063 -9.186 550 HD23 LEU 68 HD23 LEU 68 -4.328 1.826 -10.155 551 H LEU 69 HN LEU 69 -2.587 1.903 -4.736 552 HA LEU 69 HA LEU 69 -2.532 -1.084 -4.691 553 HB2 LEU 69 HB2 LEU 69 -3.044 0.878 -2.435 554 HB3 LEU 69 HB1 LEU 69 -2.753 -0.854 -2.282 555 HG LEU 69 HG LEU 69 -0.780 1.158 -3.398 556 HD11 LEU 69 HD11 LEU 69 -0.897 1.513 -1.051 557 HD12 LEU 69 HD12 LEU 69 0.489 0.452 -1.280 558 HD13 LEU 69 HD13 LEU 69 -1.044 -0.212 -0.716 559 HD21 LEU 69 HD21 LEU 69 0.767 -0.916 -3.016 560 HD22 LEU 69 HD22 LEU 69 -0.256 -0.888 -4.447 561 HD23 LEU 69 HD23 LEU 69 -0.734 -1.842 -3.041 562 H ARG 70 HN ARG 70 -4.426 -2.232 -4.692 563 HA ARG 70 HA ARG 70 -6.992 -0.696 -4.424 564 HB2 ARG 70 HB2 ARG 70 -6.253 -2.859 -6.406 565 HB3 ARG 70 HB1 ARG 70 -7.906 -2.305 -6.132 566 HG2 ARG 70 HG2 ARG 70 -7.308 -0.037 -6.771 567 HG3 ARG 70 HG1 ARG 70 -5.611 -0.493 -6.904 568 HD2 ARG 70 HD2 ARG 70 -6.642 -0.426 -9.130 569 HD3 ARG 70 HD1 ARG 70 -6.189 -2.079 -8.717 570 HE ARG 70 HE ARG 70 -8.905 -1.575 -7.918 571 HH11 ARG 70 HH21 ARG 70 -6.860 -2.084 -10.652 572 HH12 ARG 70 HH22 ARG 70 -8.113 -2.784 -11.621 573 HH21 ARG 70 HH11 ARG 70 -10.544 -2.486 -9.170 574 HH22 ARG 70 HH12 ARG 70 -10.197 -3.012 -10.783 575 H SER 71 HN SER 71 -8.584 -1.637 -3.254 576 HA SER 71 HA SER 71 -9.536 -3.014 -1.633 577 HB2 SER 71 HB2 SER 71 -9.923 -4.472 -3.541 578 HB3 SER 71 HB1 SER 71 -8.288 -5.115 -3.423 579 HG SER 71 HG SER 71 -9.701 -5.236 -1.078 580 H VAL 72 HN VAL 72 -7.799 -2.038 -0.187 581 HA VAL 72 HA VAL 72 -6.125 -4.249 0.956 582 HB VAL 72 HB VAL 72 -4.460 -2.488 1.601 583 HG11 VAL 72 HG11 VAL 72 -4.147 -3.949 -0.366 584 HG12 VAL 72 HG12 VAL 72 -3.461 -2.350 -0.642 585 HG13 VAL 72 HG13 VAL 72 -5.009 -2.783 -1.367 586 HG21 VAL 72 HG21 VAL 72 -6.185 -0.600 1.269 587 HG22 VAL 72 HG22 VAL 72 -5.853 -0.757 -0.456 588 HG23 VAL 72 HG23 VAL 72 -4.560 -0.304 0.654 589 H VAL 73 HN VAL 73 -5.617 -3.863 3.275 590 HA VAL 73 HA VAL 73 -7.835 -2.380 4.653 591 HB VAL 73 HB VAL 73 -8.089 -4.833 4.806 592 HG11 VAL 73 HG11 VAL 73 -6.429 -6.212 5.878 593 HG12 VAL 73 HG12 VAL 73 -5.440 -4.806 6.277 594 HG13 VAL 73 HG13 VAL 73 -5.617 -5.312 4.596 595 HG21 VAL 73 HG21 VAL 73 -7.132 -3.741 7.458 596 HG22 VAL 73 HG22 VAL 73 -8.415 -4.917 7.170 597 HG23 VAL 73 HG23 VAL 73 -8.646 -3.229 6.712 598 H VAL 74 HN VAL 74 -7.226 -0.981 6.240 599 HA VAL 74 HA VAL 74 -4.351 -0.464 6.558 600 HB VAL 74 HB VAL 74 -6.652 0.945 7.924 601 HG11 VAL 74 HG11 VAL 74 -5.093 2.774 8.098 602 HG12 VAL 74 HG12 VAL 74 -3.925 1.951 7.065 603 HG13 VAL 74 HG13 VAL 74 -4.264 1.333 8.682 604 HG21 VAL 74 HG21 VAL 74 -6.547 2.526 5.997 605 HG22 VAL 74 HG22 VAL 74 -7.076 0.915 5.511 606 HG23 VAL 74 HG23 VAL 74 -5.422 1.432 5.192 607 H GLY 75 HN GLY 75 -3.228 -1.570 8.044 608 HA2 GLY 75 HA2 GLY 75 -4.600 -2.676 10.432 609 HA3 GLY 75 HA1 GLY 75 -2.974 -3.090 9.887 610 H GLU 76 HN GLU 76 -2.911 -2.614 12.428 611 HA GLU 76 HA GLU 76 -2.223 0.279 12.831 612 HB2 GLU 76 HB2 GLU 76 -2.565 -0.181 15.235 613 HB3 GLU 76 HB1 GLU 76 -4.017 -0.532 14.298 614 HG2 GLU 76 HG2 GLU 76 -3.285 -2.945 14.217 615 HG3 GLU 76 HG1 GLU 76 -1.997 -2.530 15.350 616 H TYR 77 HN TYR 77 -0.141 0.777 13.306 617 HA TYR 77 HA TYR 77 1.701 -1.406 14.188 618 HB2 TYR 77 HB2 TYR 77 1.973 -1.172 11.762 619 HB3 TYR 77 HB1 TYR 77 2.223 0.567 11.939 620 HD1 TYR 77 HD1 TYR 77 3.573 -2.753 12.995 621 HD2 TYR 77 HD2 TYR 77 4.375 1.424 12.403 622 HE1 TYR 77 HE1 TYR 77 5.981 -3.154 13.430 623 HE2 TYR 77 HE2 TYR 77 6.782 1.024 12.837 624 HH TYR 77 HH TYR 77 8.003 -1.337 14.358 625 H ASN 78 HN ASN 78 2.232 -0.695 16.166 626 HA ASN 78 HA ASN 78 2.941 0.702 17.900 627 HB2 ASN 78 HB2 ASN 78 4.937 0.669 16.316 628 HB3 ASN 78 HB1 ASN 78 4.374 2.234 15.724 629 HD21 ASN 78 HD21 ASN 78 6.093 3.513 16.645 630 HD22 ASN 78 HD22 ASN 78 6.307 3.680 18.321 631 H ASP 79 HN ASP 79 3.704 3.611 16.995 632 HA ASP 79 HA ASP 79 1.084 4.754 17.699 633 HB2 ASP 79 HB2 ASP 79 3.273 5.537 18.691 634 HB3 ASP 79 HB1 ASP 79 3.697 6.171 17.100 635 H ARG 80 HN ARG 80 2.690 3.888 14.883 636 HA ARG 80 HA ARG 80 1.340 6.006 13.249 637 HB2 ARG 80 HB2 ARG 80 3.649 4.148 12.608 638 HB3 ARG 80 HB1 ARG 80 2.900 5.247 11.448 639 HG2 ARG 80 HG2 ARG 80 3.471 7.169 12.852 640 HG3 ARG 80 HG1 ARG 80 4.151 6.098 14.076 641 HD2 ARG 80 HD2 ARG 80 5.962 7.003 12.717 642 HD3 ARG 80 HD1 ARG 80 5.799 5.279 12.383 643 HE ARG 80 HE ARG 80 4.199 6.802 10.540 644 HH11 ARG 80 HH21 ARG 80 7.442 5.925 11.345 645 HH12 ARG 80 HH22 ARG 80 8.021 6.079 9.719 646 HH21 ARG 80 HH11 ARG 80 4.941 7.008 8.427 647 HH22 ARG 80 HH12 ARG 80 6.607 6.692 8.069 648 H PHE 81 HN PHE 81 0.691 5.079 11.002 649 HA PHE 81 HA PHE 81 -0.926 2.611 11.494 650 HB2 PHE 81 HB2 PHE 81 -1.243 4.941 9.590 651 HB3 PHE 81 HB1 PHE 81 -2.193 3.460 9.450 652 HD1 PHE 81 HD2 PHE 81 -3.697 2.752 11.298 653 HD2 PHE 81 HD1 PHE 81 -1.654 6.528 11.353 654 HE1 PHE 81 HE2 PHE 81 -5.220 3.548 13.084 655 HE2 PHE 81 HE1 PHE 81 -3.175 7.325 13.142 656 HZ PHE 81 HZ PHE 81 -4.960 5.835 14.006 657 H GLN 82 HN GLN 82 -1.084 1.045 9.793 658 HA GLN 82 HA GLN 82 1.077 1.126 7.731 659 HB2 GLN 82 HB2 GLN 82 1.924 -0.152 9.664 660 HB3 GLN 82 HB1 GLN 82 0.487 -1.175 9.624 661 HG2 GLN 82 HG2 GLN 82 1.088 -1.967 7.380 662 HG3 GLN 82 HG1 GLN 82 2.498 -0.906 7.369 663 HE21 GLN 82 HE21 GLN 82 4.386 -1.960 7.954 664 HE22 GLN 82 HE22 GLN 82 4.481 -3.296 8.998 665 H VAL 83 HN VAL 83 0.595 -0.207 5.886 666 HA VAL 83 HA VAL 83 -2.280 -1.059 5.705 667 HB VAL 83 HB VAL 83 -1.886 -0.671 3.185 668 HG11 VAL 83 HG11 VAL 83 -1.985 1.540 5.249 669 HG12 VAL 83 HG12 VAL 83 -3.328 0.814 4.367 670 HG13 VAL 83 HG13 VAL 83 -2.184 1.857 3.525 671 HG21 VAL 83 HG21 VAL 83 -0.091 0.763 2.539 672 HG22 VAL 83 HG22 VAL 83 0.649 -0.463 3.569 673 HG23 VAL 83 HG23 VAL 83 0.309 1.143 4.214 674 H GLN 84 HN GLN 84 -2.642 -3.151 5.201 675 HA GLN 84 HA GLN 84 -0.269 -4.876 4.659 676 HB2 GLN 84 HB2 GLN 84 -3.068 -5.487 5.643 677 HB3 GLN 84 HB1 GLN 84 -1.860 -6.723 5.288 678 HG2 GLN 84 HG2 GLN 84 -0.337 -5.735 6.940 679 HG3 GLN 84 HG1 GLN 84 -1.508 -4.460 7.275 680 HE21 GLN 84 HE21 GLN 84 -1.136 -5.609 9.549 681 HE22 GLN 84 HE22 GLN 84 -2.234 -6.848 9.922 682 H VAL 85 HN VAL 85 -0.068 -5.975 2.772 683 HA VAL 85 HA VAL 85 -2.244 -5.673 0.734 684 HB VAL 85 HB VAL 85 0.703 -6.284 0.382 685 HG11 VAL 85 HG11 VAL 85 0.159 -5.840 -2.029 686 HG12 VAL 85 HG12 VAL 85 -1.548 -5.822 -1.590 687 HG13 VAL 85 HG13 VAL 85 -0.602 -7.296 -1.391 688 HG21 VAL 85 HG21 VAL 85 0.309 -3.978 1.116 689 HG22 VAL 85 HG22 VAL 85 -0.926 -3.777 -0.126 690 HG23 VAL 85 HG23 VAL 85 0.762 -3.994 -0.587 691 H ASN 86 HN ASN 86 -3.286 -7.490 0.090 692 HA ASN 86 HA ASN 86 -2.101 -10.160 0.799 693 HB2 ASN 86 HB2 ASN 86 -4.982 -9.219 0.928 694 HB3 ASN 86 HB1 ASN 86 -4.483 -10.903 1.099 695 HD21 ASN 86 HD21 ASN 86 -5.400 -8.397 2.986 696 HD22 ASN 86 HD22 ASN 86 -4.444 -8.677 4.361 697 H LYS 87 HN LYS 87 -3.508 -11.894 -0.492 698 HA LYS 87 HA LYS 87 -2.874 -11.633 -3.247 699 HB2 LYS 87 HB2 LYS 87 -3.203 -13.800 -2.142 700 HB3 LYS 87 HB1 LYS 87 -4.910 -13.431 -1.898 701 HG2 LYS 87 HG2 LYS 87 -5.272 -13.343 -4.315 702 HG3 LYS 87 HG1 LYS 87 -3.552 -13.620 -4.604 703 HD2 LYS 87 HD2 LYS 87 -3.723 -15.818 -3.494 704 HD3 LYS 87 HD1 LYS 87 -5.437 -15.535 -3.193 705 HE2 LYS 87 HE2 LYS 87 -5.181 -16.921 -5.191 706 HE3 LYS 87 HE1 LYS 87 -5.806 -15.337 -5.647 707 HZ1 LYS 87 HZ1 LYS 87 -3.804 -16.390 -6.914 708 HZ2 LYS 87 HZ2 LYS 87 -2.903 -15.756 -5.620 709 HZ3 LYS 87 HZ3 LYS 87 -3.838 -14.724 -6.594 710 H ASN 88 HN ASN 88 -5.938 -11.084 -1.529 711 HA ASN 88 HA ASN 88 -7.567 -10.630 -3.818 712 HB2 ASN 88 HB2 ASN 88 -8.518 -10.899 -1.586 713 HB3 ASN 88 HB1 ASN 88 -7.699 -9.439 -1.040 714 HD21 ASN 88 HD21 ASN 88 -10.346 -9.250 -0.661 715 HD22 ASN 88 HD22 ASN 88 -11.114 -8.325 -1.859 716 H SER 89 HN SER 89 -5.375 -8.516 -2.018 717 HA SER 89 HA SER 89 -6.163 -6.082 -3.347 718 HB2 SER 89 HB2 SER 89 -5.003 -5.970 -1.229 719 HB3 SER 89 HB1 SER 89 -3.633 -6.866 -1.881 720 HG SER 89 HG SER 89 -2.965 -5.119 -2.889 721 H SER 90 HN SER 90 -5.006 -4.942 -5.007 722 HA SER 90 HA SER 90 -3.169 -6.633 -6.679 723 HB2 SER 90 HB2 SER 90 -5.448 -6.518 -7.674 724 HB3 SER 90 HB1 SER 90 -5.336 -4.760 -7.679 725 HG SER 90 HG SER 90 -3.301 -6.307 -8.849 726 H ILE 91 HN ILE 91 -1.531 -5.485 -7.761 727 HA ILE 91 HA ILE 91 -1.188 -2.611 -6.955 728 HB ILE 91 HB ILE 91 0.919 -4.776 -7.241 729 HG12 ILE 91 HG12 ILE 91 0.104 -3.176 -4.800 730 HG13 ILE 91 HG11 ILE 91 -0.538 -4.779 -5.158 731 HG21 ILE 91 HG21 ILE 91 1.852 -2.693 -7.998 732 HG22 ILE 91 HG22 ILE 91 2.405 -2.920 -6.339 733 HG23 ILE 91 HG23 ILE 91 1.084 -1.804 -6.682 734 HD11 ILE 91 HD11 ILE 91 1.494 -4.691 -3.599 735 HD12 ILE 91 HD12 ILE 91 2.432 -4.240 -5.023 736 HD13 ILE 91 HD13 ILE 91 1.604 -5.797 -4.968 737 H GLU 92 HN GLU 92 -0.807 -1.234 -8.620 738 HA GLU 92 HA GLU 92 -0.030 -2.392 -11.281 739 HB2 GLU 92 HB2 GLU 92 -2.409 -1.766 -11.311 740 HB3 GLU 92 HB1 GLU 92 -2.001 -0.147 -10.741 741 HG2 GLU 92 HG2 GLU 92 -0.706 0.286 -12.763 742 HG3 GLU 92 HG1 GLU 92 -0.967 -1.367 -13.319 743 H LYS 93 HN LYS 93 1.716 -1.435 -12.168 744 HA LYS 93 HA LYS 93 3.068 0.692 -10.698 745 HB2 LYS 93 HB2 LYS 93 4.277 -1.181 -11.791 746 HB3 LYS 93 HB1 LYS 93 3.761 -0.574 -13.362 747 HG2 LYS 93 HG2 LYS 93 4.910 1.564 -12.929 748 HG3 LYS 93 HG1 LYS 93 5.425 0.974 -11.352 749 HD2 LYS 93 HD2 LYS 93 6.101 -0.508 -13.897 750 HD3 LYS 93 HD1 LYS 93 7.116 0.802 -13.298 751 HE2 LYS 93 HE2 LYS 93 7.237 -0.448 -11.085 752 HE3 LYS 93 HE1 LYS 93 6.468 -1.808 -11.899 753 HZ1 LYS 93 HZ1 LYS 93 9.169 -0.950 -12.013 754 HZ2 LYS 93 HZ2 LYS 93 8.492 -1.013 -13.570 755 HZ3 LYS 93 HZ3 LYS 93 8.474 -2.391 -12.577 756 H LEU 94 HN LEU 94 3.001 2.836 -11.157 757 HA LEU 94 HA LEU 94 1.426 3.703 -13.543 758 HB2 LEU 94 HB2 LEU 94 2.040 4.886 -10.851 759 HB3 LEU 94 HB1 LEU 94 1.648 5.968 -12.185 760 HG LEU 94 HG LEU 94 -0.469 4.807 -12.553 761 HD11 LEU 94 HD11 LEU 94 0.620 2.960 -10.424 762 HD12 LEU 94 HD12 LEU 94 0.010 2.549 -12.027 763 HD13 LEU 94 HD13 LEU 94 -1.107 3.055 -10.767 764 HD21 LEU 94 HD21 LEU 94 -0.167 5.291 -9.579 765 HD22 LEU 94 HD22 LEU 94 -1.612 5.517 -10.566 766 HD23 LEU 94 HD23 LEU 94 -0.234 6.601 -10.758 767 H SER 95 HN SER 95 2.343 4.902 -15.132 768 HA SER 95 HA SER 95 5.286 5.180 -15.121 769 HB2 SER 95 HB2 SER 95 3.209 5.682 -17.270 770 HB3 SER 95 HB1 SER 95 4.951 5.784 -17.508 771 HG SER 95 HG SER 95 4.055 3.472 -16.296 772 H GLU 96 HN GLU 96 2.902 6.990 -13.883 773 HA GLU 96 HA GLU 96 4.116 9.604 -14.730 774 HB2 GLU 96 HB2 GLU 96 1.863 10.507 -13.789 775 HB3 GLU 96 HB1 GLU 96 1.869 9.748 -15.379 776 HG2 GLU 96 HG2 GLU 96 1.308 8.153 -12.879 777 HG3 GLU 96 HG1 GLU 96 0.027 9.015 -13.725 778 HA PRO 97 HA PRO 97 5.524 8.893 -10.370 779 HB2 PRO 97 HB2 PRO 97 7.197 11.254 -11.148 780 HB3 PRO 97 HB1 PRO 97 7.680 9.742 -10.352 781 HG2 PRO 97 HG2 PRO 97 8.236 10.202 -12.924 782 HG3 PRO 97 HG1 PRO 97 7.813 8.582 -12.341 783 HD2 PRO 97 HD2 PRO 97 6.141 10.511 -13.909 784 HD3 PRO 97 HD1 PRO 97 6.166 8.735 -13.960 785 H ILE 98 HN ILE 98 5.091 10.080 -8.478 786 HA ILE 98 HA ILE 98 3.273 12.407 -8.854 787 HB ILE 98 HB ILE 98 3.752 10.564 -6.500 788 HG12 ILE 98 HG12 ILE 98 1.353 10.843 -8.328 789 HG13 ILE 98 HG11 ILE 98 2.619 9.640 -8.568 790 HG21 ILE 98 HG21 ILE 98 3.064 12.714 -5.656 791 HG22 ILE 98 HG22 ILE 98 1.646 11.665 -5.642 792 HG23 ILE 98 HG23 ILE 98 1.836 12.874 -6.913 793 HD11 ILE 98 HD11 ILE 98 0.850 8.577 -7.335 794 HD12 ILE 98 HD12 ILE 98 0.779 9.908 -6.180 795 HD13 ILE 98 HD13 ILE 98 2.183 8.840 -6.213 796 H GLU 99 HN GLU 99 3.897 14.401 -8.293 797 HA GLU 99 HA GLU 99 6.544 14.811 -7.065 798 HB2 GLU 99 HB2 GLU 99 4.466 16.731 -8.173 799 HB3 GLU 99 HB1 GLU 99 6.031 17.229 -7.531 800 HG2 GLU 99 HG2 GLU 99 6.468 17.059 -9.831 801 HG3 GLU 99 HG1 GLU 99 7.016 15.496 -9.235 802 H VAL 100 HN VAL 100 6.814 15.232 -4.931 803 HA VAL 100 HA VAL 100 4.391 15.724 -3.255 804 HB VAL 100 HB VAL 100 7.180 15.102 -2.268 805 HG11 VAL 100 HG11 VAL 100 5.953 14.193 -0.356 806 HG12 VAL 100 HG12 VAL 100 4.418 14.526 -1.156 807 HG13 VAL 100 HG13 VAL 100 5.455 15.859 -0.649 808 HG21 VAL 100 HG21 VAL 100 6.642 13.364 -3.893 809 HG22 VAL 100 HG22 VAL 100 5.039 13.156 -3.185 810 HG23 VAL 100 HG23 VAL 100 6.476 12.707 -2.267 811 H GLY 101 HN GLY 101 7.150 17.304 -4.552 812 HA2 GLY 101 HA2 GLY 101 7.197 19.393 -2.449 813 HA3 GLY 101 HA1 GLY 101 8.289 19.290 -3.833 814 H LEU 102 HN LEU 102 5.355 18.706 -5.122 815 HA LEU 102 HA LEU 102 5.204 21.191 -6.493 816 HB2 LEU 102 HB2 LEU 102 4.151 18.950 -7.157 817 HB3 LEU 102 HB1 LEU 102 2.868 19.331 -6.013 818 HG LEU 102 HG LEU 102 2.727 21.608 -7.307 819 HD11 LEU 102 HD11 LEU 102 4.676 21.410 -8.719 820 HD12 LEU 102 HD12 LEU 102 3.260 21.271 -9.754 821 HD13 LEU 102 HD13 LEU 102 4.159 19.827 -9.300 822 HD21 LEU 102 HD21 LEU 102 1.239 20.465 -9.055 823 HD22 LEU 102 HD22 LEU 102 0.870 20.115 -7.367 824 HD23 LEU 102 HD23 LEU 102 1.753 18.937 -8.339 825 H GLU 103 HN GLU 103 2.907 19.923 -4.060 826 HA GLU 103 HA GLU 103 1.235 21.139 -2.890 827 HB2 GLU 103 HB2 GLU 103 2.345 22.541 -1.130 828 HB3 GLU 103 HB1 GLU 103 3.030 20.924 -1.293 829 HG2 GLU 103 HG2 GLU 103 4.893 21.769 -2.577 830 HG3 GLU 103 HG1 GLU 103 4.171 23.378 -2.657 831 H HIS 104 HN HIS 104 1.443 22.242 -5.477 832 HA HIS 104 HA HIS 104 1.849 25.084 -5.461 833 HB2 HIS 104 HB2 HIS 104 1.792 23.720 -7.534 834 HB3 HIS 104 HB1 HIS 104 0.076 23.409 -7.270 835 HD1 HIS 104 HD1 HIS 104 2.163 26.602 -7.135 836 HD2 HIS 104 HD2 HIS 104 -1.301 25.130 -8.924 837 HE1 HIS 104 HE1 HIS 104 1.176 28.517 -8.462 838 H HIS 105 HN HIS 105 -1.044 23.059 -5.100 839 HA HIS 105 HA HIS 105 -3.245 23.643 -4.517 840 HB2 HIS 105 HB2 HIS 105 -1.611 25.183 -2.483 841 HB3 HIS 105 HB1 HIS 105 -3.335 24.838 -2.337 842 HD1 HIS 105 HD1 HIS 105 -3.932 22.150 -2.499 843 HD2 HIS 105 HD2 HIS 105 -0.016 23.155 -1.481 844 HE1 HIS 105 HE1 HIS 105 -2.909 20.082 -1.455 845 H HIS 106 HN HIS 106 -3.929 24.861 -6.331 846 HA HIS 106 HA HIS 106 -4.390 27.706 -5.744 847 HB2 HIS 106 HB2 HIS 106 -2.209 27.756 -6.908 848 HB3 HIS 106 HB1 HIS 106 -2.904 26.847 -8.252 849 HD1 HIS 106 HD1 HIS 106 -3.597 30.093 -6.362 850 HD2 HIS 106 HD2 HIS 106 -3.997 28.487 -10.189 851 HE1 HIS 106 HE1 HIS 106 -4.486 31.954 -7.831 852 H HIS 107 HN HIS 107 -6.597 26.948 -5.688 853 HA HIS 107 HA HIS 107 -7.824 26.843 -8.364 854 HB2 HIS 107 HB2 HIS 107 -9.081 24.761 -7.876 855 HB3 HIS 107 HB1 HIS 107 -7.343 24.475 -7.958 856 HD1 HIS 107 HD1 HIS 107 -6.100 24.472 -5.516 857 HD2 HIS 107 HD2 HIS 107 -10.231 23.914 -5.507 858 HE1 HIS 107 HE1 HIS 107 -6.682 23.466 -3.265 859 H HIS 108 HN HIS 108 -10.203 26.996 -8.237 860 HA HIS 108 HA HIS 108 -12.074 28.176 -7.472 861 HB2 HIS 108 HB2 HIS 108 -12.156 26.088 -6.078 862 HB3 HIS 108 HB1 HIS 108 -11.302 26.960 -4.805 863 HD1 HIS 108 HD1 HIS 108 -12.642 28.620 -3.401 864 HD2 HIS 108 HD2 HIS 108 -14.826 27.106 -6.613 865 HE1 HIS 108 HE1 HIS 108 -15.036 29.377 -3.061 866 H HIS 109 HN HIS 109 -9.139 29.235 -6.902 867 HA HIS 109 HA HIS 109 -9.036 30.906 -4.688 868 HB2 HIS 109 HB2 HIS 109 -7.225 30.740 -6.335 869 HB3 HIS 109 HB1 HIS 109 -8.216 31.575 -7.531 870 HD1 HIS 109 HD1 HIS 109 -6.905 32.226 -4.002 871 HD2 HIS 109 HD2 HIS 109 -7.810 34.302 -7.501 872 HE1 HIS 109 HE1 HIS 109 -6.258 34.639 -3.591 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -11.963 0.765 -12.084 2 H2 MET 1 HT2 MET 1 -11.168 2.219 -11.708 3 H3 MET 1 HT3 MET 1 -11.162 1.632 -13.302 4 HA MET 1 HA MET 1 -12.750 3.277 -13.399 5 HB2 MET 1 HB2 MET 1 -14.245 0.740 -12.661 6 HB3 MET 1 HB1 MET 1 -14.899 2.093 -13.585 7 HG2 MET 1 HG2 MET 1 -14.229 0.590 -15.269 8 HG3 MET 1 HG1 MET 1 -12.860 1.696 -15.170 9 HE1 MET 1 HE1 MET 1 -13.191 -2.641 -13.798 10 HE2 MET 1 HE2 MET 1 -13.917 -1.935 -15.239 11 HE3 MET 1 HE3 MET 1 -14.450 -1.407 -13.645 12 H GLU 2 HN GLU 2 -13.068 4.901 -11.998 13 HA GLU 2 HA GLU 2 -13.528 6.032 -9.986 14 HB2 GLU 2 HB2 GLU 2 -15.930 4.184 -10.124 15 HB3 GLU 2 HB1 GLU 2 -15.841 5.714 -9.253 16 HG2 GLU 2 HG2 GLU 2 -15.449 6.911 -11.371 17 HG3 GLU 2 HG1 GLU 2 -15.525 5.383 -12.251 18 HA PRO 3 HA PRO 3 -12.349 2.345 -7.282 19 HB2 PRO 3 HB2 PRO 3 -9.725 2.940 -6.860 20 HB3 PRO 3 HB1 PRO 3 -10.276 2.014 -8.270 21 HG2 PRO 3 HG2 PRO 3 -9.586 4.917 -8.074 22 HG3 PRO 3 HG1 PRO 3 -9.160 3.741 -9.335 23 HD2 PRO 3 HD2 PRO 3 -11.227 5.520 -9.617 24 HD3 PRO 3 HD1 PRO 3 -11.226 3.920 -10.390 25 H GLN 4 HN GLN 4 -12.101 2.436 -4.994 26 HA GLN 4 HA GLN 4 -12.838 4.971 -3.791 27 HB2 GLN 4 HB2 GLN 4 -13.665 2.810 -2.925 28 HB3 GLN 4 HB1 GLN 4 -12.016 2.354 -2.496 29 HG2 GLN 4 HG2 GLN 4 -11.856 4.179 -0.913 30 HG3 GLN 4 HG1 GLN 4 -13.414 4.823 -1.434 31 HE21 GLN 4 HE21 GLN 4 -12.977 4.105 1.291 32 HE22 GLN 4 HE22 GLN 4 -13.933 2.750 1.657 33 H LEU 5 HN LEU 5 -11.120 6.412 -4.131 34 HA LEU 5 HA LEU 5 -8.391 5.689 -3.300 35 HB2 LEU 5 HB2 LEU 5 -9.555 8.343 -4.200 36 HB3 LEU 5 HB1 LEU 5 -7.838 7.964 -4.052 37 HG LEU 5 HG LEU 5 -9.790 6.544 -5.890 38 HD11 LEU 5 HD11 LEU 5 -7.620 8.584 -6.454 39 HD12 LEU 5 HD12 LEU 5 -9.355 8.810 -6.670 40 HD13 LEU 5 HD13 LEU 5 -8.479 7.670 -7.693 41 HD21 LEU 5 HD21 LEU 5 -6.871 6.159 -5.235 42 HD22 LEU 5 HD22 LEU 5 -7.456 5.772 -6.853 43 HD23 LEU 5 HD23 LEU 5 -8.132 4.946 -5.455 44 H THR 6 HN THR 6 -7.559 6.058 -1.305 45 HA THR 6 HA THR 6 -9.011 7.962 0.512 46 HB THR 6 HB THR 6 -7.808 5.270 1.214 47 HG1 THR 6 HG1 THR 6 -10.027 5.687 0.137 48 HG21 THR 6 HG21 THR 6 -9.015 7.492 2.862 49 HG22 THR 6 HG22 THR 6 -7.469 6.677 3.091 50 HG23 THR 6 HG23 THR 6 -8.974 5.826 3.437 51 H LYS 7 HN LYS 7 -7.728 9.452 1.443 52 HA LYS 7 HA LYS 7 -4.850 9.423 0.863 53 HB2 LYS 7 HB2 LYS 7 -6.641 11.409 2.292 54 HB3 LYS 7 HB1 LYS 7 -4.920 11.665 1.998 55 HG2 LYS 7 HG2 LYS 7 -5.294 11.448 -0.429 56 HG3 LYS 7 HG1 LYS 7 -7.011 11.170 -0.144 57 HD2 LYS 7 HD2 LYS 7 -7.164 13.407 0.941 58 HD3 LYS 7 HD1 LYS 7 -5.468 13.688 0.544 59 HE2 LYS 7 HE2 LYS 7 -7.599 13.054 -1.516 60 HE3 LYS 7 HE1 LYS 7 -7.077 14.690 -1.113 61 HZ1 LYS 7 HZ1 LYS 7 -4.858 14.160 -1.798 62 HZ2 LYS 7 HZ2 LYS 7 -5.922 13.747 -3.055 63 HZ3 LYS 7 HZ3 LYS 7 -5.268 12.535 -2.061 64 H ILE 8 HN ILE 8 -3.238 9.724 2.595 65 HA ILE 8 HA ILE 8 -3.499 7.825 4.715 66 HB ILE 8 HB ILE 8 -1.569 10.135 4.324 67 HG12 ILE 8 HG12 ILE 8 -1.151 7.157 3.944 68 HG13 ILE 8 HG11 ILE 8 -1.630 8.234 2.633 69 HG21 ILE 8 HG21 ILE 8 -1.465 9.648 6.646 70 HG22 ILE 8 HG22 ILE 8 -0.152 8.707 5.938 71 HG23 ILE 8 HG23 ILE 8 -1.666 7.916 6.375 72 HD11 ILE 8 HD11 ILE 8 0.390 9.506 2.818 73 HD12 ILE 8 HD12 ILE 8 0.875 7.813 2.842 74 HD13 ILE 8 HD13 ILE 8 0.815 8.734 4.344 75 H VAL 9 HN VAL 9 -3.750 11.386 4.701 76 HA VAL 9 HA VAL 9 -4.185 11.614 7.535 77 HB VAL 9 HB VAL 9 -3.453 13.497 6.089 78 HG11 VAL 9 HG11 VAL 9 -4.925 14.542 4.547 79 HG12 VAL 9 HG12 VAL 9 -6.321 13.651 5.153 80 HG13 VAL 9 HG13 VAL 9 -5.078 12.816 4.222 81 HG21 VAL 9 HG21 VAL 9 -4.592 13.864 8.301 82 HG22 VAL 9 HG22 VAL 9 -6.116 14.044 7.433 83 HG23 VAL 9 HG23 VAL 9 -4.808 15.197 7.168 84 H ASP 10 HN ASP 10 -6.225 10.716 4.885 85 HA ASP 10 HA ASP 10 -8.745 11.339 6.208 86 HB2 ASP 10 HB2 ASP 10 -8.498 11.138 3.726 87 HB3 ASP 10 HB1 ASP 10 -8.193 9.413 3.931 88 H ILE 11 HN ILE 11 -6.374 9.072 6.815 89 HA ILE 11 HA ILE 11 -8.129 6.822 7.466 90 HB ILE 11 HB ILE 11 -5.211 7.376 8.083 91 HG12 ILE 11 HG12 ILE 11 -6.470 5.410 6.152 92 HG13 ILE 11 HG11 ILE 11 -5.926 7.017 5.674 93 HG21 ILE 11 HG21 ILE 11 -5.962 5.873 9.778 94 HG22 ILE 11 HG22 ILE 11 -5.215 4.858 8.547 95 HG23 ILE 11 HG23 ILE 11 -6.970 4.979 8.640 96 HD11 ILE 11 HD11 ILE 11 -4.131 5.485 5.193 97 HD12 ILE 11 HD12 ILE 11 -4.236 4.772 6.803 98 HD13 ILE 11 HD13 ILE 11 -3.650 6.425 6.606 99 H VAL 12 HN VAL 12 -9.416 6.897 9.214 100 HA VAL 12 HA VAL 12 -8.460 8.330 11.680 101 HB VAL 12 HB VAL 12 -10.872 8.687 12.182 102 HG11 VAL 12 HG11 VAL 12 -9.515 10.388 10.940 103 HG12 VAL 12 HG12 VAL 12 -11.231 10.446 10.536 104 HG13 VAL 12 HG13 VAL 12 -10.088 9.685 9.427 105 HG21 VAL 12 HG21 VAL 12 -12.485 8.309 10.284 106 HG22 VAL 12 HG22 VAL 12 -11.839 6.818 10.968 107 HG23 VAL 12 HG23 VAL 12 -11.209 7.434 9.440 108 H GLU 13 HN GLU 13 -9.629 5.387 10.274 109 HA GLU 13 HA GLU 13 -9.430 4.078 12.948 110 HB2 GLU 13 HB2 GLU 13 -11.447 2.745 12.476 111 HB3 GLU 13 HB1 GLU 13 -11.828 4.465 12.536 112 HG2 GLU 13 HG2 GLU 13 -11.721 4.569 10.067 113 HG3 GLU 13 HG1 GLU 13 -11.372 2.841 10.017 114 H ASN 14 HN ASN 14 -8.537 2.057 12.894 115 HA ASN 14 HA ASN 14 -7.235 1.265 10.379 116 HB2 ASN 14 HB2 ASN 14 -6.156 -0.466 11.831 117 HB3 ASN 14 HB1 ASN 14 -5.911 1.184 12.405 118 HD21 ASN 14 HD21 ASN 14 -6.043 1.155 14.653 119 HD22 ASN 14 HD22 ASN 14 -7.220 0.320 15.549 120 H GLY 15 HN GLY 15 -7.260 -1.110 9.782 121 HA2 GLY 15 HA2 GLY 15 -8.399 -3.148 9.384 122 HA3 GLY 15 HA1 GLY 15 -9.617 -2.656 10.564 123 H GLN 16 HN GLN 16 -9.145 -0.093 8.512 124 HA GLN 16 HA GLN 16 -11.692 -0.630 7.148 125 HB2 GLN 16 HB2 GLN 16 -11.439 1.673 6.294 126 HB3 GLN 16 HB1 GLN 16 -11.255 1.606 8.045 127 HG2 GLN 16 HG2 GLN 16 -8.786 1.557 7.761 128 HG3 GLN 16 HG1 GLN 16 -9.005 1.713 6.017 129 HE21 GLN 16 HE21 GLN 16 -8.229 3.855 5.693 130 HE22 GLN 16 HE22 GLN 16 -8.904 5.218 6.446 131 H TRP 17 HN TRP 17 -11.959 -0.851 4.922 132 HA TRP 17 HA TRP 17 -9.511 -1.662 3.427 133 HB2 TRP 17 HB2 TRP 17 -12.413 -2.123 2.707 134 HB3 TRP 17 HB1 TRP 17 -10.997 -2.904 1.999 135 HD1 TRP 17 HD1 TRP 17 -12.854 -2.647 5.368 136 HE1 TRP 17 HE1 TRP 17 -12.400 -4.804 6.706 137 HE3 TRP 17 HE3 TRP 17 -9.542 -4.940 2.235 138 HZ2 TRP 17 HZ2 TRP 17 -10.834 -7.191 6.473 139 HZ3 TRP 17 HZ3 TRP 17 -8.585 -7.151 2.813 140 HH2 TRP 17 HH2 TRP 17 -9.226 -8.279 4.926 141 H ALA 18 HN ALA 18 -8.905 -0.621 1.570 142 HA ALA 18 HA ALA 18 -10.584 0.984 -0.070 143 HB1 ALA 18 HB1 ALA 18 -9.501 3.240 0.576 144 HB2 ALA 18 HB2 ALA 18 -9.072 2.457 2.098 145 HB3 ALA 18 HB3 ALA 18 -10.767 2.626 1.641 146 H ASN 19 HN ASN 19 -8.836 2.791 -1.145 147 HA ASN 19 HA ASN 19 -6.551 1.054 -2.021 148 HB2 ASN 19 HB2 ASN 19 -7.857 3.411 -3.408 149 HB3 ASN 19 HB1 ASN 19 -6.536 2.437 -4.051 150 HD21 ASN 19 HD21 ASN 19 -8.343 0.271 -2.336 151 HD22 ASN 19 HD22 ASN 19 -9.385 -0.275 -3.561 152 H LEU 20 HN LEU 20 -4.458 1.988 -2.165 153 HA LEU 20 HA LEU 20 -4.140 4.737 -1.035 154 HB2 LEU 20 HB2 LEU 20 -3.802 2.693 0.639 155 HB3 LEU 20 HB1 LEU 20 -2.248 2.550 -0.172 156 HG LEU 20 HG LEU 20 -1.961 3.974 1.769 157 HD11 LEU 20 HD11 LEU 20 -0.907 5.823 0.745 158 HD12 LEU 20 HD12 LEU 20 -2.071 5.869 -0.571 159 HD13 LEU 20 HD13 LEU 20 -0.885 4.566 -0.490 160 HD21 LEU 20 HD21 LEU 20 -3.752 6.158 0.820 161 HD22 LEU 20 HD22 LEU 20 -3.439 5.586 2.455 162 HD23 LEU 20 HD23 LEU 20 -4.584 4.729 1.433 163 H LYS 21 HN LYS 21 -2.952 5.876 -2.434 164 HA LYS 21 HA LYS 21 -1.027 4.446 -4.233 165 HB2 LYS 21 HB2 LYS 21 -2.856 5.620 -5.389 166 HB3 LYS 21 HB1 LYS 21 -2.415 7.117 -4.570 167 HG2 LYS 21 HG2 LYS 21 -0.268 7.173 -5.659 168 HG3 LYS 21 HG1 LYS 21 -0.496 5.550 -6.309 169 HD2 LYS 21 HD2 LYS 21 -0.959 7.118 -8.084 170 HD3 LYS 21 HD1 LYS 21 -2.492 6.418 -7.573 171 HE2 LYS 21 HE2 LYS 21 -3.123 8.378 -6.394 172 HE3 LYS 21 HE1 LYS 21 -1.478 9.016 -6.409 173 HZ1 LYS 21 HZ1 LYS 21 -3.521 9.368 -8.314 174 HZ2 LYS 21 HZ2 LYS 21 -2.217 8.564 -9.050 175 HZ3 LYS 21 HZ3 LYS 21 -1.971 10.059 -8.281 176 H ALA 22 HN ALA 22 1.112 5.115 -4.255 177 HA ALA 22 HA ALA 22 1.952 7.669 -3.168 178 HB1 ALA 22 HB1 ALA 22 1.582 6.699 -1.011 179 HB2 ALA 22 HB2 ALA 22 3.320 6.628 -1.289 180 HB3 ALA 22 HB3 ALA 22 2.332 5.179 -1.493 181 H LYS 23 HN LYS 23 4.558 7.317 -2.651 182 HA LYS 23 HA LYS 23 5.629 5.836 -5.031 183 HB2 LYS 23 HB2 LYS 23 5.691 8.441 -4.970 184 HB3 LYS 23 HB1 LYS 23 6.985 8.227 -3.792 185 HG2 LYS 23 HG2 LYS 23 8.290 6.929 -5.387 186 HG3 LYS 23 HG1 LYS 23 6.967 6.965 -6.554 187 HD2 LYS 23 HD2 LYS 23 7.140 9.438 -6.651 188 HD3 LYS 23 HD1 LYS 23 8.501 9.372 -5.530 189 HE2 LYS 23 HE2 LYS 23 9.762 7.987 -7.126 190 HE3 LYS 23 HE1 LYS 23 8.403 8.030 -8.245 191 HZ1 LYS 23 HZ1 LYS 23 8.611 10.447 -8.318 192 HZ2 LYS 23 HZ2 LYS 23 10.034 9.681 -8.842 193 HZ3 LYS 23 HZ3 LYS 23 9.959 10.369 -7.291 194 H VAL 24 HN VAL 24 7.476 4.608 -4.754 195 HA VAL 24 HA VAL 24 7.982 3.713 -2.029 196 HB VAL 24 HB VAL 24 9.562 2.966 -4.484 197 HG11 VAL 24 HG11 VAL 24 10.012 0.950 -3.309 198 HG12 VAL 24 HG12 VAL 24 8.733 1.257 -2.134 199 HG13 VAL 24 HG13 VAL 24 10.206 2.225 -2.107 200 HG21 VAL 24 HG21 VAL 24 7.181 2.788 -5.040 201 HG22 VAL 24 HG22 VAL 24 6.885 1.885 -3.553 202 HG23 VAL 24 HG23 VAL 24 7.872 1.180 -4.834 203 H ILE 25 HN ILE 25 9.375 4.616 -0.669 204 HA ILE 25 HA ILE 25 11.520 6.410 -1.682 205 HB ILE 25 HB ILE 25 10.720 5.800 1.179 206 HG12 ILE 25 HG12 ILE 25 8.767 6.690 0.058 207 HG13 ILE 25 HG11 ILE 25 9.471 7.976 1.035 208 HG21 ILE 25 HG21 ILE 25 11.871 7.873 1.696 209 HG22 ILE 25 HG22 ILE 25 12.168 8.179 -0.015 210 HG23 ILE 25 HG23 ILE 25 12.965 6.828 0.791 211 HD11 ILE 25 HD11 ILE 25 9.062 9.050 -1.009 212 HD12 ILE 25 HD12 ILE 25 9.526 7.639 -1.955 213 HD13 ILE 25 HD13 ILE 25 10.762 8.606 -1.152 214 H GLN 26 HN GLN 26 11.109 3.615 0.513 215 HA GLN 26 HA GLN 26 13.719 2.561 -0.350 216 HB2 GLN 26 HB2 GLN 26 14.281 4.129 1.506 217 HB3 GLN 26 HB1 GLN 26 13.206 3.220 2.565 218 HG2 GLN 26 HG2 GLN 26 14.556 1.182 2.190 219 HG3 GLN 26 HG1 GLN 26 15.640 2.100 1.143 220 HE21 GLN 26 HE21 GLN 26 17.537 2.241 2.393 221 HE22 GLN 26 HE22 GLN 26 17.593 2.862 3.972 222 H LEU 27 HN LEU 27 13.940 0.329 0.126 223 HA LEU 27 HA LEU 27 11.486 -1.011 1.227 224 HB2 LEU 27 HB2 LEU 27 13.336 -1.932 -0.992 225 HB3 LEU 27 HB1 LEU 27 11.971 -2.851 -0.356 226 HG LEU 27 HG LEU 27 11.772 -0.101 -1.619 227 HD11 LEU 27 HD11 LEU 27 12.383 -1.789 -3.280 228 HD12 LEU 27 HD12 LEU 27 10.698 -1.317 -3.503 229 HD13 LEU 27 HD13 LEU 27 11.089 -2.846 -2.715 230 HD21 LEU 27 HD21 LEU 27 9.265 -0.975 -1.697 231 HD22 LEU 27 HD22 LEU 27 9.894 -0.235 -0.231 232 HD23 LEU 27 HD23 LEU 27 9.793 -1.992 -0.357 233 H TRP 28 HN TRP 28 11.809 -2.758 2.602 234 HA TRP 28 HA TRP 28 14.648 -3.401 3.315 235 HB2 TRP 28 HB2 TRP 28 13.196 -1.859 4.934 236 HB3 TRP 28 HB1 TRP 28 12.503 -3.400 5.436 237 HD1 TRP 28 HD1 TRP 28 14.446 -5.336 6.091 238 HE1 TRP 28 HE1 TRP 28 16.619 -4.988 7.436 239 HE3 TRP 28 HE3 TRP 28 14.963 -0.287 5.615 240 HZ2 TRP 28 HZ2 TRP 28 18.351 -2.839 8.204 241 HZ3 TRP 28 HZ3 TRP 28 16.882 0.889 6.656 242 HH2 TRP 28 HH2 TRP 28 18.574 -0.379 7.950 243 H GLU 29 HN GLU 29 14.918 -5.460 2.705 244 HA GLU 29 HA GLU 29 12.809 -7.354 2.319 245 HB2 GLU 29 HB2 GLU 29 15.116 -7.392 1.276 246 HB3 GLU 29 HB1 GLU 29 15.735 -7.948 2.830 247 HG2 GLU 29 HG2 GLU 29 15.369 -9.930 1.575 248 HG3 GLU 29 HG1 GLU 29 13.991 -9.828 2.672 249 H ASN 30 HN ASN 30 11.901 -8.828 3.726 250 HA ASN 30 HA ASN 30 12.818 -8.743 6.579 251 HB2 ASN 30 HB2 ASN 30 10.411 -8.207 5.900 252 HB3 ASN 30 HB1 ASN 30 10.251 -9.910 5.475 253 HD21 ASN 30 HD21 ASN 30 8.674 -8.819 7.555 254 HD22 ASN 30 HD22 ASN 30 9.180 -9.470 9.037 255 H THR 31 HN THR 31 11.676 -11.045 4.093 256 HA THR 31 HA THR 31 12.256 -13.277 3.700 257 HB THR 31 HB THR 31 14.526 -13.030 5.680 258 HG1 THR 31 HG1 THR 31 14.631 -11.161 4.454 259 HG21 THR 31 HG21 THR 31 15.649 -14.491 4.084 260 HG22 THR 31 HG22 THR 31 14.290 -14.359 2.968 261 HG23 THR 31 HG23 THR 31 14.084 -15.182 4.513 262 H HIS 32 HN HIS 32 11.315 -12.001 6.612 263 HA HIS 32 HA HIS 32 11.394 -14.477 8.183 264 HB2 HIS 32 HB2 HIS 32 11.580 -12.214 9.220 265 HB3 HIS 32 HB1 HIS 32 9.920 -11.882 8.721 266 HD1 HIS 32 HD1 HIS 32 11.788 -14.567 10.694 267 HD2 HIS 32 HD2 HIS 32 8.089 -12.646 10.633 268 HE1 HIS 32 HE1 HIS 32 10.486 -15.457 12.676 269 H GLU 33 HN GLU 33 9.858 -16.008 8.131 270 HA GLU 33 HA GLU 33 7.849 -16.337 6.307 271 HB2 GLU 33 HB2 GLU 33 7.845 -17.171 9.218 272 HB3 GLU 33 HB1 GLU 33 6.684 -17.767 8.029 273 HG2 GLU 33 HG2 GLU 33 8.508 -18.651 6.651 274 HG3 GLU 33 HG1 GLU 33 9.696 -18.007 7.783 275 H SER 34 HN SER 34 5.548 -16.038 6.304 276 HA SER 34 HA SER 34 3.522 -14.942 6.774 277 HB2 SER 34 HB2 SER 34 4.531 -15.089 9.248 278 HB3 SER 34 HB1 SER 34 4.701 -13.351 9.029 279 HG SER 34 HG SER 34 2.611 -13.155 9.137 280 H ILE 35 HN ILE 35 6.395 -12.868 7.308 281 HA ILE 35 HA ILE 35 5.080 -10.771 5.613 282 HB ILE 35 HB ILE 35 7.363 -10.530 7.597 283 HG12 ILE 35 HG12 ILE 35 4.513 -9.510 7.771 284 HG13 ILE 35 HG11 ILE 35 5.055 -11.006 8.532 285 HG21 ILE 35 HG21 ILE 35 5.868 -8.529 5.880 286 HG22 ILE 35 HG22 ILE 35 7.601 -8.858 5.877 287 HG23 ILE 35 HG23 ILE 35 6.857 -8.060 7.263 288 HD11 ILE 35 HD11 ILE 35 5.127 -9.167 10.151 289 HD12 ILE 35 HD12 ILE 35 6.158 -8.233 9.068 290 HD13 ILE 35 HD13 ILE 35 6.763 -9.721 9.795 291 H SER 36 HN SER 36 5.919 -10.386 3.654 292 HA SER 36 HA SER 36 8.309 -11.863 2.772 293 HB2 SER 36 HB2 SER 36 6.233 -11.687 1.375 294 HB3 SER 36 HB1 SER 36 6.523 -9.956 1.231 295 HG SER 36 HG SER 36 8.232 -10.331 -0.014 296 H GLN 37 HN GLN 37 7.280 -8.483 2.212 297 HA GLN 37 HA GLN 37 10.066 -7.593 2.878 298 HB2 GLN 37 HB2 GLN 37 8.377 -6.800 0.482 299 HB3 GLN 37 HB1 GLN 37 9.869 -5.987 0.963 300 HG2 GLN 37 HG2 GLN 37 11.118 -8.079 0.715 301 HG3 GLN 37 HG1 GLN 37 9.635 -8.933 0.294 302 HE21 GLN 37 HE21 GLN 37 12.314 -7.635 -1.141 303 HE22 GLN 37 HE22 GLN 37 11.660 -7.211 -2.648 304 H VAL 38 HN VAL 38 10.193 -5.537 3.786 305 HA VAL 38 HA VAL 38 7.601 -4.178 4.438 306 HB VAL 38 HB VAL 38 9.930 -4.836 6.262 307 HG11 VAL 38 HG11 VAL 38 7.718 -2.794 6.546 308 HG12 VAL 38 HG12 VAL 38 9.450 -2.575 6.807 309 HG13 VAL 38 HG13 VAL 38 8.496 -3.512 7.958 310 HG21 VAL 38 HG21 VAL 38 8.175 -5.890 7.606 311 HG22 VAL 38 HG22 VAL 38 8.124 -6.529 5.962 312 HG23 VAL 38 HG23 VAL 38 6.943 -5.325 6.477 313 H GLY 39 HN GLY 39 7.649 -1.989 4.080 314 HA2 GLY 39 HA2 GLY 39 10.201 -0.539 4.088 315 HA3 GLY 39 HA1 GLY 39 9.466 -0.697 2.491 316 H LEU 40 HN LEU 40 9.331 1.715 2.623 317 HA LEU 40 HA LEU 40 6.758 2.490 3.901 318 HB2 LEU 40 HB2 LEU 40 7.826 4.685 4.558 319 HB3 LEU 40 HB1 LEU 40 8.335 3.296 5.509 320 HG LEU 40 HG LEU 40 9.955 3.880 3.052 321 HD11 LEU 40 HD11 LEU 40 9.808 6.130 3.796 322 HD12 LEU 40 HD12 LEU 40 11.329 5.526 4.449 323 HD13 LEU 40 HD13 LEU 40 9.913 5.663 5.493 324 HD21 LEU 40 HD21 LEU 40 11.733 3.005 4.363 325 HD22 LEU 40 HD22 LEU 40 10.340 2.025 4.812 326 HD23 LEU 40 HD23 LEU 40 10.887 3.318 5.876 327 H LEU 41 HN LEU 41 5.600 4.052 2.772 328 HA LEU 41 HA LEU 41 6.727 4.777 0.081 329 HB2 LEU 41 HB2 LEU 41 3.807 4.539 0.851 330 HB3 LEU 41 HB1 LEU 41 4.490 4.693 -0.767 331 HG LEU 41 HG LEU 41 4.990 2.362 1.088 332 HD11 LEU 41 HD11 LEU 41 3.579 1.124 -0.590 333 HD12 LEU 41 HD12 LEU 41 3.146 2.685 -1.286 334 HD13 LEU 41 HD13 LEU 41 2.690 2.302 0.374 335 HD21 LEU 41 HD21 LEU 41 5.785 1.355 -1.152 336 HD22 LEU 41 HD22 LEU 41 6.845 2.531 -0.384 337 HD23 LEU 41 HD23 LEU 41 5.818 3.016 -1.737 338 H GLY 42 HN GLY 42 6.857 6.882 -0.410 339 HA2 GLY 42 HA2 GLY 42 5.989 8.853 1.615 340 HA3 GLY 42 HA1 GLY 42 7.088 9.163 0.274 341 H ASP 43 HN ASP 43 4.468 10.420 1.238 342 HA ASP 43 HA ASP 43 3.330 10.749 -1.473 343 HB2 ASP 43 HB2 ASP 43 2.063 8.894 -0.204 344 HB3 ASP 43 HB1 ASP 43 1.501 10.174 0.869 345 H GLU 44 HN GLU 44 1.952 12.707 -1.563 346 HA GLU 44 HA GLU 44 3.056 14.877 -0.032 347 HB2 GLU 44 HB2 GLU 44 2.105 15.116 -2.319 348 HB3 GLU 44 HB1 GLU 44 0.498 14.811 -1.660 349 HG2 GLU 44 HG2 GLU 44 0.682 16.785 -0.222 350 HG3 GLU 44 HG1 GLU 44 2.322 17.077 -0.803 351 H THR 45 HN THR 45 0.437 12.685 0.548 352 HA THR 45 HA THR 45 -0.967 14.425 2.432 353 HB THR 45 HB THR 45 -2.244 12.350 2.967 354 HG1 THR 45 HG1 THR 45 -0.076 11.285 1.679 355 HG21 THR 45 HG21 THR 45 -3.114 13.605 1.145 356 HG22 THR 45 HG22 THR 45 -3.033 11.944 0.557 357 HG23 THR 45 HG23 THR 45 -1.801 13.109 0.077 358 H GLY 46 HN GLY 46 1.879 12.591 2.538 359 HA2 GLY 46 HA2 GLY 46 3.006 13.135 4.843 360 HA3 GLY 46 HA1 GLY 46 1.691 12.152 5.489 361 H ILE 47 HN ILE 47 3.534 10.784 6.269 362 HA ILE 47 HA ILE 47 4.607 8.984 4.105 363 HB ILE 47 HB ILE 47 5.703 9.373 6.903 364 HG12 ILE 47 HG12 ILE 47 5.841 11.508 5.723 365 HG13 ILE 47 HG11 ILE 47 7.443 10.783 5.806 366 HG21 ILE 47 HG21 ILE 47 6.380 7.286 5.893 367 HG22 ILE 47 HG22 ILE 47 7.747 8.395 5.802 368 HG23 ILE 47 HG23 ILE 47 6.762 8.092 4.371 369 HD11 ILE 47 HD11 ILE 47 7.243 11.539 3.569 370 HD12 ILE 47 HD12 ILE 47 5.591 10.954 3.426 371 HD13 ILE 47 HD13 ILE 47 6.930 9.812 3.471 372 H ILE 48 HN ILE 48 3.967 6.880 4.179 373 HA ILE 48 HA ILE 48 2.763 5.853 6.729 374 HB ILE 48 HB ILE 48 0.968 6.540 5.143 375 HG12 ILE 48 HG12 ILE 48 1.110 3.524 5.310 376 HG13 ILE 48 HG11 ILE 48 0.846 4.523 6.740 377 HG21 ILE 48 HG21 ILE 48 2.387 6.014 3.092 378 HG22 ILE 48 HG22 ILE 48 0.713 5.463 3.022 379 HG23 ILE 48 HG23 ILE 48 2.005 4.315 3.374 380 HD11 ILE 48 HD11 ILE 48 -1.305 3.807 5.811 381 HD12 ILE 48 HD12 ILE 48 -0.876 4.500 4.245 382 HD13 ILE 48 HD13 ILE 48 -1.121 5.551 5.640 383 H LYS 49 HN LYS 49 3.225 3.740 7.193 384 HA LYS 49 HA LYS 49 5.324 2.482 5.562 385 HB2 LYS 49 HB2 LYS 49 4.173 1.799 8.261 386 HB3 LYS 49 HB1 LYS 49 5.450 0.872 7.470 387 HG2 LYS 49 HG2 LYS 49 6.842 2.929 7.355 388 HG3 LYS 49 HG1 LYS 49 5.578 3.809 8.216 389 HD2 LYS 49 HD2 LYS 49 5.793 2.249 10.120 390 HD3 LYS 49 HD1 LYS 49 7.072 1.393 9.261 391 HE2 LYS 49 HE2 LYS 49 8.442 3.435 9.229 392 HE3 LYS 49 HE1 LYS 49 7.164 4.313 10.067 393 HZ1 LYS 49 HZ1 LYS 49 8.873 2.131 11.083 394 HZ2 LYS 49 HZ2 LYS 49 7.380 2.483 11.814 395 HZ3 LYS 49 HZ3 LYS 49 8.599 3.664 11.753 396 H PHE 50 HN PHE 50 5.183 0.206 4.909 397 HA PHE 50 HA PHE 50 2.460 -0.971 4.910 398 HB2 PHE 50 HB2 PHE 50 2.316 -1.218 2.554 399 HB3 PHE 50 HB1 PHE 50 2.778 0.459 2.808 400 HD1 PHE 50 HD1 PHE 50 5.409 0.885 2.881 401 HD2 PHE 50 HD2 PHE 50 3.530 -2.494 1.013 402 HE1 PHE 50 HE1 PHE 50 7.409 0.558 1.448 403 HE2 PHE 50 HE2 PHE 50 5.530 -2.822 -0.411 404 HZ PHE 50 HZ PHE 50 7.469 -1.294 -0.194 405 H THR 51 HN THR 51 2.491 -3.249 4.229 406 HA THR 51 HA THR 51 5.196 -4.518 4.220 407 HB THR 51 HB THR 51 4.613 -4.636 6.547 408 HG1 THR 51 HG1 THR 51 3.641 -7.086 6.153 409 HG21 THR 51 HG21 THR 51 2.410 -5.598 7.257 410 HG22 THR 51 HG22 THR 51 1.895 -5.540 5.570 411 HG23 THR 51 HG23 THR 51 2.271 -4.046 6.429 412 H ILE 52 HN ILE 52 5.267 -6.377 2.978 413 HA ILE 52 HA ILE 52 2.743 -7.082 1.526 414 HB ILE 52 HB ILE 52 5.640 -7.570 0.780 415 HG12 ILE 52 HG12 ILE 52 3.615 -5.669 -0.435 416 HG13 ILE 52 HG11 ILE 52 4.819 -5.173 0.753 417 HG21 ILE 52 HG21 ILE 52 4.516 -8.069 -1.471 418 HG22 ILE 52 HG22 ILE 52 3.003 -8.174 -0.573 419 HG23 ILE 52 HG23 ILE 52 4.320 -9.290 -0.216 420 HD11 ILE 52 HD11 ILE 52 5.437 -4.843 -1.718 421 HD12 ILE 52 HD12 ILE 52 5.590 -6.598 -1.797 422 HD13 ILE 52 HD13 ILE 52 6.624 -5.671 -0.710 423 H TRP 53 HN TRP 53 1.836 -8.999 1.973 424 HA TRP 53 HA TRP 53 3.382 -11.007 3.542 425 HB2 TRP 53 HB2 TRP 53 0.417 -10.973 2.933 426 HB3 TRP 53 HB1 TRP 53 1.247 -11.920 4.166 427 HD1 TRP 53 HD1 TRP 53 0.820 -8.165 3.268 428 HE1 TRP 53 HE1 TRP 53 0.630 -6.839 5.470 429 HE3 TRP 53 HE3 TRP 53 1.400 -11.961 6.636 430 HZ2 TRP 53 HZ2 TRP 53 0.719 -7.323 8.288 431 HZ3 TRP 53 HZ3 TRP 53 1.344 -11.500 9.070 432 HH2 TRP 53 HH2 TRP 53 1.004 -9.189 9.900 433 H LYS 54 HN LYS 54 3.542 -13.161 2.825 434 HA LYS 54 HA LYS 54 3.688 -13.573 -0.017 435 HB2 LYS 54 HB2 LYS 54 3.706 -15.531 2.293 436 HB3 LYS 54 HB1 LYS 54 4.099 -15.957 0.628 437 HG2 LYS 54 HG2 LYS 54 5.911 -14.240 0.654 438 HG3 LYS 54 HG1 LYS 54 5.559 -13.934 2.352 439 HD2 LYS 54 HD2 LYS 54 6.274 -16.679 1.293 440 HD3 LYS 54 HD1 LYS 54 7.479 -15.549 1.907 441 HE2 LYS 54 HE2 LYS 54 6.050 -15.445 4.048 442 HE3 LYS 54 HE1 LYS 54 5.217 -16.866 3.419 443 HZ1 LYS 54 HZ1 LYS 54 7.389 -17.967 3.231 444 HZ2 LYS 54 HZ2 LYS 54 7.007 -17.553 4.834 445 HZ3 LYS 54 HZ3 LYS 54 8.124 -16.623 3.955 446 H ASN 55 HN ASN 55 1.042 -13.512 2.063 447 HA ASN 55 HA ASN 55 -0.535 -15.649 0.919 448 HB2 ASN 55 HB2 ASN 55 -1.259 -13.184 2.520 449 HB3 ASN 55 HB1 ASN 55 -2.446 -14.389 2.017 450 HD21 ASN 55 HD21 ASN 55 -1.817 -13.888 4.802 451 HD22 ASN 55 HD22 ASN 55 -1.086 -15.287 5.430 452 H ALA 56 HN ALA 56 0.722 -13.673 -0.970 453 HA ALA 56 HA ALA 56 -1.669 -13.227 -2.647 454 HB1 ALA 56 HB1 ALA 56 -1.037 -10.865 -3.087 455 HB2 ALA 56 HB2 ALA 56 0.240 -10.988 -1.876 456 HB3 ALA 56 HB3 ALA 56 -1.451 -11.113 -1.391 457 H GLU 57 HN GLU 57 1.840 -12.999 -2.242 458 HA GLU 57 HA GLU 57 3.603 -13.402 -3.707 459 HB2 GLU 57 HB2 GLU 57 1.472 -15.112 -5.021 460 HB3 GLU 57 HB1 GLU 57 3.167 -15.105 -5.510 461 HG2 GLU 57 HG2 GLU 57 3.851 -15.768 -3.261 462 HG3 GLU 57 HG1 GLU 57 2.176 -15.709 -2.715 463 H LEU 58 HN LEU 58 2.960 -10.978 -4.148 464 HA LEU 58 HA LEU 58 2.158 -10.622 -6.988 465 HB2 LEU 58 HB2 LEU 58 2.571 -8.433 -4.953 466 HB3 LEU 58 HB1 LEU 58 1.632 -8.369 -6.440 467 HG LEU 58 HG LEU 58 0.979 -10.028 -3.995 468 HD11 LEU 58 HD11 LEU 58 -0.316 -7.603 -5.273 469 HD12 LEU 58 HD12 LEU 58 0.450 -7.678 -3.685 470 HD13 LEU 58 HD13 LEU 58 -1.051 -8.556 -3.984 471 HD21 LEU 58 HD21 LEU 58 -1.175 -10.408 -5.377 472 HD22 LEU 58 HD22 LEU 58 0.257 -11.314 -5.860 473 HD23 LEU 58 HD23 LEU 58 -0.226 -9.879 -6.766 474 HA PRO 59 HA PRO 59 6.274 -9.699 -8.392 475 HB2 PRO 59 HB2 PRO 59 5.296 -7.104 -9.517 476 HB3 PRO 59 HB1 PRO 59 6.122 -8.448 -10.332 477 HG2 PRO 59 HG2 PRO 59 3.500 -7.995 -10.650 478 HG3 PRO 59 HG1 PRO 59 4.178 -9.633 -10.639 479 HD2 PRO 59 HD2 PRO 59 2.605 -8.234 -8.517 480 HD3 PRO 59 HD1 PRO 59 2.670 -9.956 -8.941 481 H LEU 60 HN LEU 60 8.124 -8.499 -7.823 482 HA LEU 60 HA LEU 60 8.032 -7.047 -5.356 483 HB2 LEU 60 HB2 LEU 60 10.257 -7.070 -7.415 484 HB3 LEU 60 HB1 LEU 60 10.413 -6.722 -5.692 485 HG LEU 60 HG LEU 60 9.480 -9.361 -6.861 486 HD11 LEU 60 HD11 LEU 60 11.897 -8.871 -7.226 487 HD12 LEU 60 HD12 LEU 60 11.642 -10.228 -6.128 488 HD13 LEU 60 HD13 LEU 60 12.089 -8.646 -5.487 489 HD21 LEU 60 HD21 LEU 60 9.984 -10.038 -4.382 490 HD22 LEU 60 HD22 LEU 60 8.469 -9.220 -4.738 491 HD23 LEU 60 HD23 LEU 60 9.817 -8.314 -4.048 492 H LEU 61 HN LEU 61 8.057 -4.877 -4.927 493 HA LEU 61 HA LEU 61 7.153 -3.077 -7.029 494 HB2 LEU 61 HB2 LEU 61 7.716 -2.829 -4.077 495 HB3 LEU 61 HB1 LEU 61 7.427 -1.384 -5.046 496 HG LEU 61 HG LEU 61 5.271 -2.348 -5.814 497 HD11 LEU 61 HD11 LEU 61 4.440 -4.350 -4.453 498 HD12 LEU 61 HD12 LEU 61 6.121 -4.601 -3.982 499 HD13 LEU 61 HD13 LEU 61 5.656 -4.701 -5.680 500 HD21 LEU 61 HD21 LEU 61 4.127 -2.256 -3.554 501 HD22 LEU 61 HD22 LEU 61 5.184 -0.887 -3.897 502 HD23 LEU 61 HD23 LEU 61 5.730 -2.174 -2.823 503 H GLU 62 HN GLU 62 8.315 -1.420 -7.998 504 HA GLU 62 HA GLU 62 11.259 -1.623 -7.818 505 HB2 GLU 62 HB2 GLU 62 9.389 -0.149 -9.681 506 HB3 GLU 62 HB1 GLU 62 11.148 -0.025 -9.775 507 HG2 GLU 62 HG2 GLU 62 11.333 -2.442 -10.107 508 HG3 GLU 62 HG1 GLU 62 9.589 -2.624 -9.920 509 H GLN 63 HN GLN 63 12.597 0.178 -7.364 510 HA GLN 63 HA GLN 63 11.479 1.995 -5.373 511 HB2 GLN 63 HB2 GLN 63 14.181 1.189 -6.333 512 HB3 GLN 63 HB1 GLN 63 14.074 2.795 -5.617 513 HG2 GLN 63 HG2 GLN 63 12.806 0.459 -4.197 514 HG3 GLN 63 HG1 GLN 63 14.545 0.710 -4.075 515 HE21 GLN 63 HE21 GLN 63 14.732 3.497 -3.972 516 HE22 GLN 63 HE22 GLN 63 13.930 4.079 -2.595 517 H GLY 64 HN GLY 64 11.358 4.197 -5.445 518 HA2 GLY 64 HA2 GLY 64 11.234 6.348 -6.374 519 HA3 GLY 64 HA1 GLY 64 12.368 5.807 -7.608 520 H GLU 65 HN GLU 65 9.262 4.226 -7.037 521 HA GLU 65 HA GLU 65 8.181 5.491 -9.522 522 HB2 GLU 65 HB2 GLU 65 8.375 2.526 -8.942 523 HB3 GLU 65 HB1 GLU 65 7.352 3.213 -10.207 524 HG2 GLU 65 HG2 GLU 65 9.334 4.274 -11.231 525 HG3 GLU 65 HG1 GLU 65 10.355 3.569 -9.978 526 H SER 66 HN SER 66 5.945 5.644 -9.613 527 HA SER 66 HA SER 66 4.595 5.603 -7.026 528 HB2 SER 66 HB2 SER 66 3.818 6.462 -9.802 529 HB3 SER 66 HB1 SER 66 2.616 6.367 -8.516 530 HG SER 66 HG SER 66 5.005 7.902 -8.574 531 H TYR 67 HN TYR 67 2.758 4.331 -6.511 532 HA TYR 67 HA TYR 67 2.037 2.145 -8.388 533 HB2 TYR 67 HB2 TYR 67 3.274 1.814 -5.653 534 HB3 TYR 67 HB1 TYR 67 2.157 0.595 -6.270 535 HD1 TYR 67 HD2 TYR 67 2.607 -0.350 -8.626 536 HD2 TYR 67 HD1 TYR 67 5.534 1.782 -6.326 537 HE1 TYR 67 HE2 TYR 67 4.409 -1.323 -10.021 538 HE2 TYR 67 HE1 TYR 67 7.341 0.813 -7.720 539 HH TYR 67 HH TYR 67 7.049 -1.796 -9.541 540 H LEU 68 HN LEU 68 -0.061 1.487 -8.168 541 HA LEU 68 HA LEU 68 -1.729 2.976 -6.175 542 HB2 LEU 68 HB2 LEU 68 -2.427 3.558 -8.375 543 HB3 LEU 68 HB1 LEU 68 -2.290 1.899 -8.951 544 HG LEU 68 HG LEU 68 -4.215 1.237 -7.595 545 HD11 LEU 68 HD11 LEU 68 -5.501 3.078 -6.415 546 HD12 LEU 68 HD12 LEU 68 -4.087 4.104 -6.641 547 HD13 LEU 68 HD13 LEU 68 -3.970 2.645 -5.656 548 HD21 LEU 68 HD21 LEU 68 -4.486 2.373 -9.872 549 HD22 LEU 68 HD22 LEU 68 -4.940 3.821 -8.976 550 HD23 LEU 68 HD23 LEU 68 -5.910 2.356 -8.831 551 H LEU 69 HN LEU 69 -2.441 1.739 -4.532 552 HA LEU 69 HA LEU 69 -2.486 -1.230 -4.845 553 HB2 LEU 69 HB2 LEU 69 -2.735 0.473 -2.348 554 HB3 LEU 69 HB1 LEU 69 -2.529 -1.277 -2.412 555 HG LEU 69 HG LEU 69 -0.538 0.757 -3.457 556 HD11 LEU 69 HD11 LEU 69 -0.646 -0.920 -0.942 557 HD12 LEU 69 HD12 LEU 69 -0.486 0.832 -1.071 558 HD13 LEU 69 HD13 LEU 69 0.853 -0.214 -1.545 559 HD21 LEU 69 HD21 LEU 69 -0.203 -1.172 -4.767 560 HD22 LEU 69 HD22 LEU 69 -0.638 -2.261 -3.447 561 HD23 LEU 69 HD23 LEU 69 0.913 -1.424 -3.428 562 H ARG 70 HN ARG 70 -4.396 -2.315 -4.880 563 HA ARG 70 HA ARG 70 -6.890 -0.821 -4.134 564 HB2 ARG 70 HB2 ARG 70 -6.419 -2.657 -6.497 565 HB3 ARG 70 HB1 ARG 70 -8.013 -2.107 -5.977 566 HG2 ARG 70 HG2 ARG 70 -7.310 0.236 -6.276 567 HG3 ARG 70 HG1 ARG 70 -5.715 -0.311 -6.783 568 HD2 ARG 70 HD2 ARG 70 -8.274 -1.109 -8.192 569 HD3 ARG 70 HD1 ARG 70 -7.272 0.254 -8.692 570 HE ARG 70 HE ARG 70 -5.569 -1.996 -8.518 571 HH11 ARG 70 HH21 ARG 70 -8.337 -0.892 -10.262 572 HH12 ARG 70 HH22 ARG 70 -7.951 -1.784 -11.697 573 HH21 ARG 70 HH11 ARG 70 -5.054 -3.161 -10.384 574 HH22 ARG 70 HH12 ARG 70 -6.095 -3.068 -11.765 575 H SER 71 HN SER 71 -8.175 -1.858 -2.756 576 HA SER 71 HA SER 71 -9.183 -3.573 -1.530 577 HB2 SER 71 HB2 SER 71 -7.568 -5.677 -2.945 578 HB3 SER 71 HB1 SER 71 -9.218 -5.754 -2.345 579 HG SER 71 HG SER 71 -8.262 -4.260 -4.565 580 H VAL 72 HN VAL 72 -7.247 -2.254 -0.274 581 HA VAL 72 HA VAL 72 -5.522 -4.371 0.988 582 HB VAL 72 HB VAL 72 -4.048 -2.443 1.672 583 HG11 VAL 72 HG11 VAL 72 -4.381 -2.623 -1.328 584 HG12 VAL 72 HG12 VAL 72 -3.707 -3.944 -0.373 585 HG13 VAL 72 HG13 VAL 72 -2.895 -2.383 -0.412 586 HG21 VAL 72 HG21 VAL 72 -5.943 -0.748 1.258 587 HG22 VAL 72 HG22 VAL 72 -5.543 -0.893 -0.453 588 HG23 VAL 72 HG23 VAL 72 -4.338 -0.295 0.686 589 H VAL 73 HN VAL 73 -5.122 -4.052 3.301 590 HA VAL 73 HA VAL 73 -7.435 -2.724 4.680 591 HB VAL 73 HB VAL 73 -7.535 -5.207 4.746 592 HG11 VAL 73 HG11 VAL 73 -5.039 -5.107 6.448 593 HG12 VAL 73 HG12 VAL 73 -4.963 -5.419 4.714 594 HG13 VAL 73 HG13 VAL 73 -5.848 -6.521 5.771 595 HG21 VAL 73 HG21 VAL 73 -6.814 -4.035 7.443 596 HG22 VAL 73 HG22 VAL 73 -7.937 -5.355 7.116 597 HG23 VAL 73 HG23 VAL 73 -8.339 -3.711 6.621 598 H VAL 74 HN VAL 74 -6.960 -1.461 6.442 599 HA VAL 74 HA VAL 74 -4.149 -0.684 6.759 600 HB VAL 74 HB VAL 74 -6.686 0.314 8.075 601 HG11 VAL 74 HG11 VAL 74 -3.804 1.218 8.226 602 HG12 VAL 74 HG12 VAL 74 -4.894 0.840 9.561 603 HG13 VAL 74 HG13 VAL 74 -5.148 2.297 8.601 604 HG21 VAL 74 HG21 VAL 74 -6.685 0.820 5.724 605 HG22 VAL 74 HG22 VAL 74 -4.981 1.276 5.763 606 HG23 VAL 74 HG23 VAL 74 -6.184 2.292 6.557 607 H GLY 75 HN GLY 75 -2.833 -1.658 8.177 608 HA2 GLY 75 HA2 GLY 75 -3.996 -3.223 10.423 609 HA3 GLY 75 HA1 GLY 75 -2.342 -3.353 9.823 610 H GLU 76 HN GLU 76 -2.518 -3.132 12.472 611 HA GLU 76 HA GLU 76 -1.999 -0.246 13.128 612 HB2 GLU 76 HB2 GLU 76 -2.755 -2.557 14.952 613 HB3 GLU 76 HB1 GLU 76 -2.498 -0.887 15.454 614 HG2 GLU 76 HG2 GLU 76 -4.827 -0.955 15.203 615 HG3 GLU 76 HG1 GLU 76 -4.313 -0.321 13.641 616 H TYR 77 HN TYR 77 0.145 0.192 13.321 617 HA TYR 77 HA TYR 77 1.922 -1.882 14.548 618 HB2 TYR 77 HB2 TYR 77 2.247 -2.062 12.140 619 HB3 TYR 77 HB1 TYR 77 2.500 -0.320 12.011 620 HD1 TYR 77 HD2 TYR 77 3.816 -3.371 13.734 621 HD2 TYR 77 HD1 TYR 77 4.665 0.576 12.268 622 HE1 TYR 77 HE2 TYR 77 6.215 -3.687 14.273 623 HE2 TYR 77 HE1 TYR 77 7.064 0.262 12.809 624 HH TYR 77 HH TYR 77 8.597 -1.108 13.630 625 H ASN 78 HN ASN 78 3.005 -1.030 16.203 626 HA ASN 78 HA ASN 78 3.933 0.540 17.661 627 HB2 ASN 78 HB2 ASN 78 4.603 1.798 14.989 628 HB3 ASN 78 HB1 ASN 78 5.214 2.399 16.527 629 HD21 ASN 78 HD21 ASN 78 5.070 -0.749 17.255 630 HD22 ASN 78 HD22 ASN 78 6.574 -1.287 16.684 631 H ASP 79 HN ASP 79 1.133 0.781 17.189 632 HA ASP 79 HA ASP 79 -0.598 2.256 17.736 633 HB2 ASP 79 HB2 ASP 79 1.247 3.053 19.398 634 HB3 ASP 79 HB1 ASP 79 1.458 4.404 18.285 635 H ARG 80 HN ARG 80 1.559 2.681 15.238 636 HA ARG 80 HA ARG 80 0.269 5.130 14.162 637 HB2 ARG 80 HB2 ARG 80 2.533 3.397 13.126 638 HB3 ARG 80 HB1 ARG 80 1.914 4.826 12.297 639 HG2 ARG 80 HG2 ARG 80 2.475 6.224 14.232 640 HG3 ARG 80 HG1 ARG 80 3.040 4.803 15.111 641 HD2 ARG 80 HD2 ARG 80 4.960 5.965 14.146 642 HD3 ARG 80 HD1 ARG 80 4.741 4.416 13.336 643 HE ARG 80 HE ARG 80 4.089 5.567 11.356 644 HH11 ARG 80 HH21 ARG 80 4.410 7.658 14.090 645 HH12 ARG 80 HH22 ARG 80 4.341 9.109 13.148 646 HH21 ARG 80 HH11 ARG 80 3.997 7.453 10.122 647 HH22 ARG 80 HH12 ARG 80 4.107 8.994 10.906 648 H PHE 81 HN PHE 81 -0.013 4.794 11.569 649 HA PHE 81 HA PHE 81 -1.823 2.416 11.249 650 HB2 PHE 81 HB2 PHE 81 -1.941 5.188 10.024 651 HB3 PHE 81 HB1 PHE 81 -3.003 3.852 9.573 652 HD1 PHE 81 HD2 PHE 81 -4.626 2.927 11.182 653 HD2 PHE 81 HD1 PHE 81 -2.173 6.315 12.160 654 HE1 PHE 81 HE2 PHE 81 -6.090 3.429 13.120 655 HE2 PHE 81 HE1 PHE 81 -3.636 6.815 14.099 656 HZ PHE 81 HZ PHE 81 -5.596 5.372 14.578 657 H GLN 82 HN GLN 82 -1.465 1.087 9.507 658 HA GLN 82 HA GLN 82 0.365 2.004 7.343 659 HB2 GLN 82 HB2 GLN 82 1.679 -0.085 7.501 660 HB3 GLN 82 HB1 GLN 82 1.818 0.870 8.977 661 HG2 GLN 82 HG2 GLN 82 0.118 -0.538 10.064 662 HG3 GLN 82 HG1 GLN 82 -0.061 -1.484 8.588 663 HE21 GLN 82 HE21 GLN 82 3.138 -0.322 9.435 664 HE22 GLN 82 HE22 GLN 82 3.763 -1.822 9.920 665 H VAL 83 HN VAL 83 0.244 0.593 5.434 666 HA VAL 83 HA VAL 83 -2.429 -0.736 5.234 667 HB VAL 83 HB VAL 83 -2.221 -0.400 2.828 668 HG11 VAL 83 HG11 VAL 83 -1.363 2.185 4.133 669 HG12 VAL 83 HG12 VAL 83 -2.951 1.483 4.436 670 HG13 VAL 83 HG13 VAL 83 -2.494 1.956 2.802 671 HG21 VAL 83 HG21 VAL 83 -0.194 1.042 2.083 672 HG22 VAL 83 HG22 VAL 83 0.075 -0.675 2.367 673 HG23 VAL 83 HG23 VAL 83 0.560 0.505 3.585 674 H GLN 84 HN GLN 84 -2.518 -2.908 4.923 675 HA GLN 84 HA GLN 84 0.068 -4.376 4.611 676 HB2 GLN 84 HB2 GLN 84 -2.669 -5.251 5.580 677 HB3 GLN 84 HB1 GLN 84 -1.289 -6.337 5.391 678 HG2 GLN 84 HG2 GLN 84 0.017 -4.952 6.962 679 HG3 GLN 84 HG1 GLN 84 -1.362 -3.873 7.157 680 HE21 GLN 84 HE21 GLN 84 -0.791 -4.795 9.534 681 HE22 GLN 84 HE22 GLN 84 -1.709 -6.144 10.001 682 H VAL 85 HN VAL 85 0.512 -4.935 2.556 683 HA VAL 85 HA VAL 85 -1.663 -5.247 0.583 684 HB VAL 85 HB VAL 85 1.313 -5.638 0.167 685 HG11 VAL 85 HG11 VAL 85 -1.002 -4.919 -1.658 686 HG12 VAL 85 HG12 VAL 85 -0.091 -6.430 -1.661 687 HG13 VAL 85 HG13 VAL 85 0.692 -4.927 -2.151 688 HG21 VAL 85 HG21 VAL 85 -0.323 -3.086 -0.040 689 HG22 VAL 85 HG22 VAL 85 1.375 -3.259 -0.487 690 HG23 VAL 85 HG23 VAL 85 0.886 -3.423 1.199 691 H ASN 86 HN ASN 86 -2.697 -7.199 0.860 692 HA ASN 86 HA ASN 86 -1.103 -9.635 0.384 693 HB2 ASN 86 HB2 ASN 86 -1.837 -10.817 2.333 694 HB3 ASN 86 HB1 ASN 86 -1.209 -9.278 2.905 695 HD21 ASN 86 HD21 ASN 86 -2.983 -7.498 3.164 696 HD22 ASN 86 HD22 ASN 86 -4.488 -8.011 3.760 697 H LYS 87 HN LYS 87 -2.817 -11.572 0.489 698 HA LYS 87 HA LYS 87 -4.714 -12.552 -0.444 699 HB2 LYS 87 HB2 LYS 87 -5.801 -10.691 1.052 700 HB3 LYS 87 HB1 LYS 87 -6.106 -9.867 -0.474 701 HG2 LYS 87 HG2 LYS 87 -7.341 -11.818 -1.313 702 HG3 LYS 87 HG1 LYS 87 -6.963 -12.710 0.156 703 HD2 LYS 87 HD2 LYS 87 -8.187 -11.018 1.489 704 HD3 LYS 87 HD1 LYS 87 -8.602 -10.167 0.000 705 HE2 LYS 87 HE2 LYS 87 -9.317 -13.059 0.550 706 HE3 LYS 87 HE1 LYS 87 -10.416 -11.704 0.810 707 HZ1 LYS 87 HZ1 LYS 87 -9.096 -12.228 -1.791 708 HZ2 LYS 87 HZ2 LYS 87 -10.399 -11.184 -1.474 709 HZ3 LYS 87 HZ3 LYS 87 -10.616 -12.867 -1.389 710 H ASN 88 HN ASN 88 -6.475 -10.517 -2.129 711 HA ASN 88 HA ASN 88 -5.018 -11.055 -4.657 712 HB2 ASN 88 HB2 ASN 88 -7.855 -10.158 -4.064 713 HB3 ASN 88 HB1 ASN 88 -7.211 -10.369 -5.691 714 HD21 ASN 88 HD21 ASN 88 -5.541 -12.753 -4.521 715 HD22 ASN 88 HD22 ASN 88 -6.664 -14.022 -4.476 716 H SER 89 HN SER 89 -4.710 -8.746 -2.508 717 HA SER 89 HA SER 89 -5.378 -6.251 -3.437 718 HB2 SER 89 HB2 SER 89 -3.302 -5.403 -2.467 719 HB3 SER 89 HB1 SER 89 -3.959 -6.674 -1.441 720 HG SER 89 HG SER 89 -1.658 -6.606 -2.962 721 H SER 90 HN SER 90 -5.420 -5.599 -5.510 722 HA SER 90 HA SER 90 -3.471 -6.576 -7.459 723 HB2 SER 90 HB2 SER 90 -5.518 -4.377 -7.813 724 HB3 SER 90 HB1 SER 90 -4.758 -5.346 -9.073 725 HG SER 90 HG SER 90 -6.000 -6.787 -7.081 726 H ILE 91 HN ILE 91 -1.945 -5.258 -8.579 727 HA ILE 91 HA ILE 91 -1.345 -2.600 -7.334 728 HB ILE 91 HB ILE 91 0.628 -4.809 -7.981 729 HG12 ILE 91 HG12 ILE 91 0.024 -3.430 -5.354 730 HG13 ILE 91 HG11 ILE 91 -0.718 -4.956 -5.833 731 HG21 ILE 91 HG21 ILE 91 2.246 -3.111 -6.950 732 HG22 ILE 91 HG22 ILE 91 0.976 -1.911 -7.187 733 HG23 ILE 91 HG23 ILE 91 1.671 -2.746 -8.577 734 HD11 ILE 91 HD11 ILE 91 1.310 -5.255 -4.396 735 HD12 ILE 91 HD12 ILE 91 2.272 -4.492 -5.662 736 HD13 ILE 91 HD13 ILE 91 1.458 -6.026 -5.974 737 H GLU 92 HN GLU 92 -1.005 -1.028 -8.815 738 HA GLU 92 HA GLU 92 -0.381 -1.836 -11.637 739 HB2 GLU 92 HB2 GLU 92 -2.780 -1.207 -11.388 740 HB3 GLU 92 HB1 GLU 92 -2.284 0.358 -10.748 741 HG2 GLU 92 HG2 GLU 92 -2.767 0.637 -13.098 742 HG3 GLU 92 HG1 GLU 92 -1.022 0.751 -12.901 743 H LYS 93 HN LYS 93 1.258 -0.700 -12.540 744 HA LYS 93 HA LYS 93 2.700 1.218 -10.850 745 HB2 LYS 93 HB2 LYS 93 3.876 -0.530 -12.163 746 HB3 LYS 93 HB1 LYS 93 3.306 0.238 -13.644 747 HG2 LYS 93 HG2 LYS 93 4.500 2.282 -13.115 748 HG3 LYS 93 HG1 LYS 93 4.955 1.651 -11.534 749 HD2 LYS 93 HD2 LYS 93 6.875 1.326 -12.897 750 HD3 LYS 93 HD1 LYS 93 6.114 -0.259 -12.788 751 HE2 LYS 93 HE2 LYS 93 5.162 -0.048 -14.984 752 HE3 LYS 93 HE1 LYS 93 5.588 1.661 -15.074 753 HZ1 LYS 93 HZ1 LYS 93 7.312 -0.703 -15.304 754 HZ2 LYS 93 HZ2 LYS 93 7.974 0.739 -14.695 755 HZ3 LYS 93 HZ3 LYS 93 7.285 0.706 -16.248 756 H LEU 94 HN LEU 94 2.618 3.392 -11.067 757 HA LEU 94 HA LEU 94 0.984 4.521 -13.286 758 HB2 LEU 94 HB2 LEU 94 1.788 5.453 -10.541 759 HB3 LEU 94 HB1 LEU 94 1.284 6.638 -11.743 760 HG LEU 94 HG LEU 94 -0.582 5.791 -10.260 761 HD11 LEU 94 HD11 LEU 94 -0.749 6.541 -12.834 762 HD12 LEU 94 HD12 LEU 94 -2.148 5.952 -11.947 763 HD13 LEU 94 HD13 LEU 94 -1.280 4.870 -13.030 764 HD21 LEU 94 HD21 LEU 94 -1.336 3.547 -10.419 765 HD22 LEU 94 HD22 LEU 94 0.414 3.413 -10.283 766 HD23 LEU 94 HD23 LEU 94 -0.367 3.233 -11.854 767 H SER 95 HN SER 95 1.894 5.698 -14.863 768 HA SER 95 HA SER 95 4.817 5.986 -14.912 769 HB2 SER 95 HB2 SER 95 2.662 6.727 -16.913 770 HB3 SER 95 HB1 SER 95 4.392 6.888 -17.204 771 HG SER 95 HG SER 95 3.015 4.491 -16.537 772 H GLU 96 HN GLU 96 2.764 7.585 -13.180 773 HA GLU 96 HA GLU 96 3.782 10.328 -13.879 774 HB2 GLU 96 HB2 GLU 96 1.273 9.959 -14.025 775 HB3 GLU 96 HB1 GLU 96 1.294 9.671 -12.285 776 HG2 GLU 96 HG2 GLU 96 0.796 11.983 -12.498 777 HG3 GLU 96 HG1 GLU 96 2.512 11.935 -12.095 778 HA PRO 97 HA PRO 97 5.846 9.043 -9.912 779 HB2 PRO 97 HB2 PRO 97 7.565 11.353 -10.745 780 HB3 PRO 97 HB1 PRO 97 8.043 9.732 -10.201 781 HG2 PRO 97 HG2 PRO 97 8.215 10.424 -12.763 782 HG3 PRO 97 HG1 PRO 97 7.708 8.792 -12.287 783 HD2 PRO 97 HD2 PRO 97 6.022 11.074 -13.277 784 HD3 PRO 97 HD1 PRO 97 5.880 9.334 -13.612 785 H ILE 98 HN ILE 98 5.657 10.010 -7.870 786 HA ILE 98 HA ILE 98 4.258 12.659 -7.801 787 HB ILE 98 HB ILE 98 4.391 10.451 -5.727 788 HG12 ILE 98 HG12 ILE 98 2.073 11.384 -7.448 789 HG13 ILE 98 HG11 ILE 98 3.073 9.983 -7.836 790 HG21 ILE 98 HG21 ILE 98 4.132 12.586 -4.636 791 HG22 ILE 98 HG22 ILE 98 2.538 11.835 -4.693 792 HG23 ILE 98 HG23 ILE 98 2.951 13.115 -5.834 793 HD11 ILE 98 HD11 ILE 98 1.307 10.373 -5.410 794 HD12 ILE 98 HD12 ILE 98 2.499 9.079 -5.530 795 HD13 ILE 98 HD13 ILE 98 1.152 9.147 -6.668 796 H GLU 99 HN GLU 99 5.412 14.357 -7.104 797 HA GLU 99 HA GLU 99 8.048 13.920 -5.843 798 HB2 GLU 99 HB2 GLU 99 6.620 16.421 -6.806 799 HB3 GLU 99 HB1 GLU 99 8.234 16.414 -6.099 800 HG2 GLU 99 HG2 GLU 99 8.690 16.308 -8.401 801 HG3 GLU 99 HG1 GLU 99 8.777 14.615 -7.926 802 H VAL 100 HN VAL 100 8.439 14.225 -3.704 803 HA VAL 100 HA VAL 100 6.153 14.883 -1.954 804 HB VAL 100 HB VAL 100 8.987 14.208 -1.134 805 HG11 VAL 100 HG11 VAL 100 6.335 13.668 0.223 806 HG12 VAL 100 HG12 VAL 100 7.321 15.093 0.552 807 HG13 VAL 100 HG13 VAL 100 7.947 13.485 0.915 808 HG21 VAL 100 HG21 VAL 100 8.069 11.839 -0.982 809 HG22 VAL 100 HG22 VAL 100 8.323 12.438 -2.622 810 HG23 VAL 100 HG23 VAL 100 6.696 12.395 -1.941 811 H GLY 101 HN GLY 101 6.570 17.146 -3.246 812 HA2 GLY 101 HA2 GLY 101 6.883 19.434 -2.788 813 HA3 GLY 101 HA1 GLY 101 7.529 18.986 -1.208 814 H LEU 102 HN LEU 102 9.028 17.341 -3.795 815 HA LEU 102 HA LEU 102 11.594 18.491 -3.255 816 HB2 LEU 102 HB2 LEU 102 10.464 16.759 -5.447 817 HB3 LEU 102 HB1 LEU 102 12.118 17.353 -5.559 818 HG LEU 102 HG LEU 102 11.897 15.075 -4.500 819 HD11 LEU 102 HD11 LEU 102 13.706 16.975 -3.925 820 HD12 LEU 102 HD12 LEU 102 13.678 15.433 -3.082 821 HD13 LEU 102 HD13 LEU 102 12.958 16.854 -2.332 822 HD21 LEU 102 HD21 LEU 102 10.725 16.587 -2.152 823 HD22 LEU 102 HD22 LEU 102 10.902 14.842 -2.333 824 HD23 LEU 102 HD23 LEU 102 9.734 15.716 -3.322 825 H GLU 103 HN GLU 103 9.216 19.072 -5.840 826 HA GLU 103 HA GLU 103 10.927 21.218 -6.953 827 HB2 GLU 103 HB2 GLU 103 8.294 20.005 -7.832 828 HB3 GLU 103 HB1 GLU 103 9.082 21.346 -8.669 829 HG2 GLU 103 HG2 GLU 103 11.084 19.979 -9.036 830 HG3 GLU 103 HG1 GLU 103 10.358 18.644 -8.141 831 H HIS 104 HN HIS 104 10.822 23.090 -5.840 832 HA HIS 104 HA HIS 104 8.336 23.933 -4.500 833 HB2 HIS 104 HB2 HIS 104 9.796 25.953 -3.904 834 HB3 HIS 104 HB1 HIS 104 10.324 24.395 -3.267 835 HD1 HIS 104 HD1 HIS 104 12.076 23.103 -5.067 836 HD2 HIS 104 HD2 HIS 104 11.856 27.265 -5.176 837 HE1 HIS 104 HE1 HIS 104 14.194 23.903 -6.202 838 H HIS 105 HN HIS 105 9.873 24.337 -7.525 839 HA HIS 105 HA HIS 105 8.451 26.879 -8.115 840 HB2 HIS 105 HB2 HIS 105 10.415 25.233 -9.743 841 HB3 HIS 105 HB1 HIS 105 9.702 26.760 -10.268 842 HD1 HIS 105 HD1 HIS 105 10.057 28.768 -8.313 843 HD2 HIS 105 HD2 HIS 105 12.816 25.645 -8.448 844 HE1 HIS 105 HE1 HIS 105 12.121 29.582 -7.091 845 H HIS 106 HN HIS 106 7.396 23.948 -7.805 846 HA HIS 106 HA HIS 106 6.359 23.084 -10.305 847 HB2 HIS 106 HB2 HIS 106 6.330 21.759 -8.178 848 HB3 HIS 106 HB1 HIS 106 5.067 22.828 -7.569 849 HD1 HIS 106 HD1 HIS 106 5.603 20.856 -10.801 850 HD2 HIS 106 HD2 HIS 106 2.603 21.697 -8.033 851 HE1 HIS 106 HE1 HIS 106 3.535 19.631 -11.594 852 H HIS 107 HN HIS 107 4.960 25.237 -7.825 853 HA HIS 107 HA HIS 107 3.092 26.652 -7.918 854 HB2 HIS 107 HB2 HIS 107 4.376 26.999 -10.636 855 HB3 HIS 107 HB1 HIS 107 3.002 27.973 -10.111 856 HD1 HIS 107 HD1 HIS 107 6.623 27.273 -9.269 857 HD2 HIS 107 HD2 HIS 107 3.607 29.938 -8.179 858 HE1 HIS 107 HE1 HIS 107 7.724 29.070 -7.860 859 H HIS 108 HN HIS 108 2.976 23.754 -9.194 860 HA HIS 108 HA HIS 108 1.445 22.492 -10.482 861 HB2 HIS 108 HB2 HIS 108 -0.753 22.551 -9.481 862 HB3 HIS 108 HB1 HIS 108 0.440 22.813 -8.211 863 HD1 HIS 108 HD1 HIS 108 0.768 25.341 -7.411 864 HD2 HIS 108 HD2 HIS 108 -2.559 24.651 -9.825 865 HE1 HIS 108 HE1 HIS 108 -0.740 27.358 -7.144 866 H HIS 109 HN HIS 109 2.281 24.924 -11.839 867 HA HIS 109 HA HIS 109 -0.066 26.145 -13.054 868 HB2 HIS 109 HB2 HIS 109 2.185 27.263 -12.802 869 HB3 HIS 109 HB1 HIS 109 2.798 26.171 -14.044 870 HD1 HIS 109 HD1 HIS 109 1.763 26.413 -16.461 871 HD2 HIS 109 HD2 HIS 109 0.612 29.383 -13.772 872 HE1 HIS 109 HE1 HIS 109 0.719 28.263 -17.841 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -10.026 7.611 -11.778 2 H2 MET 1 HT2 MET 1 -8.851 8.145 -10.676 3 H3 MET 1 HT3 MET 1 -9.204 9.067 -12.059 4 HA MET 1 HA MET 1 -10.222 9.622 -9.681 5 HB2 MET 1 HB2 MET 1 -10.453 10.870 -11.879 6 HB3 MET 1 HB1 MET 1 -11.827 9.826 -12.244 7 HG2 MET 1 HG2 MET 1 -12.994 10.594 -10.243 8 HG3 MET 1 HG1 MET 1 -11.602 11.569 -9.776 9 HE1 MET 1 HE1 MET 1 -13.368 13.477 -9.505 10 HE2 MET 1 HE2 MET 1 -13.197 14.725 -10.737 11 HE3 MET 1 HE3 MET 1 -11.759 13.998 -10.023 12 H GLU 2 HN GLU 2 -11.066 6.855 -11.455 13 HA GLU 2 HA GLU 2 -13.720 6.483 -10.276 14 HB2 GLU 2 HB2 GLU 2 -12.287 4.146 -11.465 15 HB3 GLU 2 HB1 GLU 2 -13.937 4.702 -11.732 16 HG2 GLU 2 HG2 GLU 2 -11.400 5.870 -12.908 17 HG3 GLU 2 HG1 GLU 2 -12.706 5.062 -13.776 18 HA PRO 3 HA PRO 3 -11.006 3.229 -7.801 19 HB2 PRO 3 HB2 PRO 3 -8.490 4.787 -7.486 20 HB3 PRO 3 HB1 PRO 3 -8.709 3.070 -7.872 21 HG2 PRO 3 HG2 PRO 3 -7.894 4.850 -9.707 22 HG3 PRO 3 HG1 PRO 3 -8.920 3.467 -10.127 23 HD2 PRO 3 HD2 PRO 3 -9.681 6.349 -9.790 24 HD3 PRO 3 HD1 PRO 3 -10.285 5.155 -10.960 25 H GLN 4 HN GLN 4 -11.051 3.238 -5.527 26 HA GLN 4 HA GLN 4 -11.820 5.809 -4.292 27 HB2 GLN 4 HB2 GLN 4 -11.697 3.002 -3.147 28 HB3 GLN 4 HB1 GLN 4 -12.403 4.405 -2.344 29 HG2 GLN 4 HG2 GLN 4 -14.274 3.357 -3.330 30 HG3 GLN 4 HG1 GLN 4 -13.869 4.624 -4.487 31 HE21 GLN 4 HE21 GLN 4 -14.271 3.709 -6.521 32 HE22 GLN 4 HE22 GLN 4 -13.690 2.198 -7.030 33 H LEU 5 HN LEU 5 -9.574 6.638 -4.623 34 HA LEU 5 HA LEU 5 -7.338 5.507 -3.185 35 HB2 LEU 5 HB2 LEU 5 -7.784 8.360 -4.109 36 HB3 LEU 5 HB1 LEU 5 -6.232 7.644 -3.675 37 HG LEU 5 HG LEU 5 -8.024 6.693 -5.933 38 HD11 LEU 5 HD11 LEU 5 -7.073 8.806 -6.565 39 HD12 LEU 5 HD12 LEU 5 -6.094 7.562 -7.343 40 HD13 LEU 5 HD13 LEU 5 -5.501 8.369 -5.892 41 HD21 LEU 5 HD21 LEU 5 -5.401 5.741 -4.786 42 HD22 LEU 5 HD22 LEU 5 -5.740 5.509 -6.501 43 HD23 LEU 5 HD23 LEU 5 -6.800 4.793 -5.291 44 H THR 6 HN THR 6 -6.525 6.036 -1.164 45 HA THR 6 HA THR 6 -8.230 7.800 0.568 46 HB THR 6 HB THR 6 -6.840 5.223 1.340 47 HG1 THR 6 HG1 THR 6 -9.601 5.845 1.220 48 HG21 THR 6 HG21 THR 6 -6.840 6.708 3.216 49 HG22 THR 6 HG22 THR 6 -8.196 5.606 3.458 50 HG23 THR 6 HG23 THR 6 -8.484 7.245 2.871 51 H LYS 7 HN LYS 7 -7.129 9.394 1.525 52 HA LYS 7 HA LYS 7 -4.241 9.608 1.140 53 HB2 LYS 7 HB2 LYS 7 -6.423 11.358 2.236 54 HB3 LYS 7 HB1 LYS 7 -4.749 11.761 2.611 55 HG2 LYS 7 HG2 LYS 7 -5.413 12.956 0.598 56 HG3 LYS 7 HG1 LYS 7 -4.246 11.712 0.152 57 HD2 LYS 7 HD2 LYS 7 -6.026 10.236 -0.596 58 HD3 LYS 7 HD1 LYS 7 -7.254 11.363 -0.020 59 HE2 LYS 7 HE2 LYS 7 -6.486 13.047 -1.627 60 HE3 LYS 7 HE1 LYS 7 -5.206 11.964 -2.174 61 HZ1 LYS 7 HZ1 LYS 7 -6.819 10.426 -2.976 62 HZ2 LYS 7 HZ2 LYS 7 -7.220 11.956 -3.594 63 HZ3 LYS 7 HZ3 LYS 7 -8.097 11.307 -2.293 64 H ILE 8 HN ILE 8 -2.698 9.713 2.792 65 HA ILE 8 HA ILE 8 -2.997 7.854 4.929 66 HB ILE 8 HB ILE 8 -0.965 10.046 4.441 67 HG12 ILE 8 HG12 ILE 8 0.464 8.006 3.895 68 HG13 ILE 8 HG11 ILE 8 -1.013 7.052 3.957 69 HG21 ILE 8 HG21 ILE 8 -0.822 9.650 6.772 70 HG22 ILE 8 HG22 ILE 8 0.422 8.611 6.077 71 HG23 ILE 8 HG23 ILE 8 -1.120 7.921 6.585 72 HD11 ILE 8 HD11 ILE 8 -0.907 9.501 2.207 73 HD12 ILE 8 HD12 ILE 8 -1.897 8.050 2.036 74 HD13 ILE 8 HD13 ILE 8 -0.180 7.997 1.652 75 H VAL 9 HN VAL 9 -3.052 11.403 4.897 76 HA VAL 9 HA VAL 9 -3.397 11.663 7.746 77 HB VAL 9 HB VAL 9 -2.527 13.489 6.338 78 HG11 VAL 9 HG11 VAL 9 -3.923 13.073 4.351 79 HG12 VAL 9 HG12 VAL 9 -4.068 14.746 4.882 80 HG13 VAL 9 HG13 VAL 9 -5.355 13.597 5.238 81 HG21 VAL 9 HG21 VAL 9 -3.810 13.887 8.520 82 HG22 VAL 9 HG22 VAL 9 -5.177 14.352 7.507 83 HG23 VAL 9 HG23 VAL 9 -3.671 15.266 7.430 84 H ASP 10 HN ASP 10 -5.564 10.886 5.176 85 HA ASP 10 HA ASP 10 -7.977 11.746 6.614 86 HB2 ASP 10 HB2 ASP 10 -7.821 11.670 4.107 87 HB3 ASP 10 HB1 ASP 10 -7.723 9.913 4.214 88 H ILE 11 HN ILE 11 -5.837 9.230 7.012 89 HA ILE 11 HA ILE 11 -7.770 7.108 7.566 90 HB ILE 11 HB ILE 11 -4.814 7.360 8.183 91 HG12 ILE 11 HG12 ILE 11 -6.254 5.649 6.137 92 HG13 ILE 11 HG11 ILE 11 -5.557 7.225 5.765 93 HG21 ILE 11 HG21 ILE 11 -5.018 4.840 8.498 94 HG22 ILE 11 HG22 ILE 11 -6.764 5.077 8.570 95 HG23 ILE 11 HG23 ILE 11 -5.721 5.822 9.782 96 HD11 ILE 11 HD11 ILE 11 -4.097 4.748 6.715 97 HD12 ILE 11 HD12 ILE 11 -3.351 6.343 6.657 98 HD13 ILE 11 HD13 ILE 11 -3.910 5.578 5.169 99 H VAL 12 HN VAL 12 -8.952 7.019 9.375 100 HA VAL 12 HA VAL 12 -7.801 8.013 11.945 101 HB VAL 12 HB VAL 12 -9.980 9.014 12.524 102 HG11 VAL 12 HG11 VAL 12 -9.891 10.915 10.927 103 HG12 VAL 12 HG12 VAL 12 -8.843 9.960 9.879 104 HG13 VAL 12 HG13 VAL 12 -8.285 10.440 11.482 105 HG21 VAL 12 HG21 VAL 12 -11.654 9.299 10.657 106 HG22 VAL 12 HG22 VAL 12 -11.470 7.631 11.200 107 HG23 VAL 12 HG23 VAL 12 -10.703 8.161 9.704 108 H GLU 13 HN GLU 13 -9.191 5.510 10.211 109 HA GLU 13 HA GLU 13 -9.898 4.097 12.746 110 HB2 GLU 13 HB2 GLU 13 -12.011 4.874 11.703 111 HB3 GLU 13 HB1 GLU 13 -11.577 4.017 10.223 112 HG2 GLU 13 HG2 GLU 13 -11.552 1.884 11.428 113 HG3 GLU 13 HG1 GLU 13 -11.884 2.715 12.947 114 H ASN 14 HN ASN 14 -9.293 1.973 12.786 115 HA ASN 14 HA ASN 14 -7.595 1.040 10.546 116 HB2 ASN 14 HB2 ASN 14 -6.807 -0.659 12.120 117 HB3 ASN 14 HB1 ASN 14 -6.717 0.938 12.860 118 HD21 ASN 14 HD21 ASN 14 -6.758 -0.548 14.901 119 HD22 ASN 14 HD22 ASN 14 -8.286 -0.935 15.531 120 H GLY 15 HN GLY 15 -7.772 -1.231 9.857 121 HA2 GLY 15 HA2 GLY 15 -8.980 -3.173 9.255 122 HA3 GLY 15 HA1 GLY 15 -10.284 -2.661 10.329 123 H GLN 16 HN GLN 16 -9.402 -0.092 8.389 124 HA GLN 16 HA GLN 16 -11.879 -0.311 6.848 125 HB2 GLN 16 HB2 GLN 16 -11.122 1.860 7.742 126 HB3 GLN 16 HB1 GLN 16 -9.682 1.770 6.728 127 HG2 GLN 16 HG2 GLN 16 -11.040 1.801 4.709 128 HG3 GLN 16 HG1 GLN 16 -12.520 1.724 5.664 129 HE21 GLN 16 HE21 GLN 16 -10.404 3.656 7.399 130 HE22 GLN 16 HE22 GLN 16 -10.885 5.172 6.807 131 H TRP 17 HN TRP 17 -12.082 -0.879 4.740 132 HA TRP 17 HA TRP 17 -9.631 -1.783 3.304 133 HB2 TRP 17 HB2 TRP 17 -12.576 -2.353 2.909 134 HB3 TRP 17 HB1 TRP 17 -11.328 -2.893 1.785 135 HD1 TRP 17 HD1 TRP 17 -12.576 -3.411 5.366 136 HE1 TRP 17 HE1 TRP 17 -11.574 -5.605 6.279 137 HE3 TRP 17 HE3 TRP 17 -9.373 -4.570 1.561 138 HZ2 TRP 17 HZ2 TRP 17 -9.666 -7.590 5.498 139 HZ3 TRP 17 HZ3 TRP 17 -7.977 -6.616 1.669 140 HH2 TRP 17 HH2 TRP 17 -8.119 -8.126 3.631 141 H ALA 18 HN ALA 18 -8.987 -0.787 1.425 142 HA ALA 18 HA ALA 18 -10.694 0.736 -0.291 143 HB1 ALA 18 HB1 ALA 18 -9.639 3.026 0.297 144 HB2 ALA 18 HB2 ALA 18 -9.221 2.287 1.842 145 HB3 ALA 18 HB3 ALA 18 -10.912 2.426 1.361 146 H ASN 19 HN ASN 19 -9.074 2.502 -1.458 147 HA ASN 19 HA ASN 19 -6.683 0.892 -2.269 148 HB2 ASN 19 HB2 ASN 19 -8.174 3.051 -3.781 149 HB3 ASN 19 HB1 ASN 19 -6.821 2.102 -4.399 150 HD21 ASN 19 HD21 ASN 19 -8.420 -0.067 -2.506 151 HD22 ASN 19 HD22 ASN 19 -9.483 -0.728 -3.652 152 H LEU 20 HN LEU 20 -4.690 1.958 -2.514 153 HA LEU 20 HA LEU 20 -4.537 4.781 -1.542 154 HB2 LEU 20 HB2 LEU 20 -4.076 3.275 0.348 155 HB3 LEU 20 HB1 LEU 20 -2.799 2.499 -0.587 156 HG LEU 20 HG LEU 20 -2.571 5.469 -0.452 157 HD11 LEU 20 HD11 LEU 20 -3.317 5.229 1.795 158 HD12 LEU 20 HD12 LEU 20 -1.558 5.324 1.874 159 HD13 LEU 20 HD13 LEU 20 -2.366 3.764 2.033 160 HD21 LEU 20 HD21 LEU 20 -0.198 4.902 -0.021 161 HD22 LEU 20 HD22 LEU 20 -0.808 4.026 -1.423 162 HD23 LEU 20 HD23 LEU 20 -0.631 3.197 0.122 163 H LYS 21 HN LYS 21 -3.188 5.997 -2.711 164 HA LYS 21 HA LYS 21 -1.360 4.646 -4.673 165 HB2 LYS 21 HB2 LYS 21 -3.223 5.938 -5.683 166 HB3 LYS 21 HB1 LYS 21 -2.659 7.378 -4.838 167 HG2 LYS 21 HG2 LYS 21 -0.482 7.209 -5.998 168 HG3 LYS 21 HG1 LYS 21 -1.049 5.774 -6.849 169 HD2 LYS 21 HD2 LYS 21 -2.557 8.385 -7.008 170 HD3 LYS 21 HD1 LYS 21 -1.198 8.050 -8.079 171 HE2 LYS 21 HE2 LYS 21 -2.364 5.913 -8.757 172 HE3 LYS 21 HE1 LYS 21 -3.768 6.458 -7.840 173 HZ1 LYS 21 HZ1 LYS 21 -3.801 8.469 -9.197 174 HZ2 LYS 21 HZ2 LYS 21 -3.992 7.066 -10.137 175 HZ3 LYS 21 HZ3 LYS 21 -2.500 7.879 -10.112 176 H ALA 22 HN ALA 22 0.796 5.174 -4.542 177 HA ALA 22 HA ALA 22 1.667 7.690 -3.350 178 HB1 ALA 22 HB1 ALA 22 1.139 6.514 -1.281 179 HB2 ALA 22 HB2 ALA 22 2.891 6.649 -1.443 180 HB3 ALA 22 HB3 ALA 22 2.087 5.121 -1.804 181 H LYS 23 HN LYS 23 4.131 7.662 -3.083 182 HA LYS 23 HA LYS 23 5.323 6.117 -5.344 183 HB2 LYS 23 HB2 LYS 23 5.408 8.581 -5.525 184 HB3 LYS 23 HB1 LYS 23 6.298 8.647 -4.005 185 HG2 LYS 23 HG2 LYS 23 8.124 7.342 -4.976 186 HG3 LYS 23 HG1 LYS 23 7.220 7.157 -6.480 187 HD2 LYS 23 HD2 LYS 23 7.246 9.613 -6.787 188 HD3 LYS 23 HD1 LYS 23 8.179 9.781 -5.300 189 HE2 LYS 23 HE2 LYS 23 9.089 8.122 -7.666 190 HE3 LYS 23 HE1 LYS 23 9.575 9.797 -7.407 191 HZ1 LYS 23 HZ1 LYS 23 10.509 9.170 -5.278 192 HZ2 LYS 23 HZ2 LYS 23 11.201 8.240 -6.519 193 HZ3 LYS 23 HZ3 LYS 23 10.021 7.562 -5.503 194 H VAL 24 HN VAL 24 7.141 4.881 -5.038 195 HA VAL 24 HA VAL 24 7.681 4.053 -2.291 196 HB VAL 24 HB VAL 24 8.957 3.243 -4.911 197 HG11 VAL 24 HG11 VAL 24 9.662 1.232 -3.535 198 HG12 VAL 24 HG12 VAL 24 9.184 2.140 -2.100 199 HG13 VAL 24 HG13 VAL 24 10.489 2.735 -3.127 200 HG21 VAL 24 HG21 VAL 24 6.960 1.738 -3.202 201 HG22 VAL 24 HG22 VAL 24 7.476 1.356 -4.845 202 HG23 VAL 24 HG23 VAL 24 6.474 2.776 -4.543 203 H ILE 25 HN ILE 25 9.119 4.984 -0.999 204 HA ILE 25 HA ILE 25 11.262 6.707 -2.157 205 HB ILE 25 HB ILE 25 10.182 6.433 0.663 206 HG12 ILE 25 HG12 ILE 25 10.003 8.769 -1.260 207 HG13 ILE 25 HG11 ILE 25 8.724 7.570 -1.074 208 HG21 ILE 25 HG21 ILE 25 11.591 8.539 1.000 209 HG22 ILE 25 HG22 ILE 25 12.378 8.137 -0.526 210 HG23 ILE 25 HG23 ILE 25 12.487 7.029 0.841 211 HD11 ILE 25 HD11 ILE 25 9.845 9.128 1.265 212 HD12 ILE 25 HD12 ILE 25 8.368 8.166 1.215 213 HD13 ILE 25 HD13 ILE 25 8.461 9.684 0.325 214 H GLN 26 HN GLN 26 10.862 4.355 0.524 215 HA GLN 26 HA GLN 26 13.426 3.100 -0.263 216 HB2 GLN 26 HB2 GLN 26 14.017 4.899 1.350 217 HB3 GLN 26 HB1 GLN 26 12.918 4.179 2.524 218 HG2 GLN 26 HG2 GLN 26 15.204 3.457 2.987 219 HG3 GLN 26 HG1 GLN 26 14.256 2.076 2.451 220 HE21 GLN 26 HE21 GLN 26 15.950 0.872 1.444 221 HE22 GLN 26 HE22 GLN 26 16.821 1.445 0.105 222 H LEU 27 HN LEU 27 13.486 0.948 0.208 223 HA LEU 27 HA LEU 27 11.510 -0.212 2.081 224 HB2 LEU 27 HB2 LEU 27 10.670 -1.829 0.502 225 HB3 LEU 27 HB1 LEU 27 10.482 -0.236 -0.224 226 HG LEU 27 HG LEU 27 12.714 -2.215 -0.811 227 HD11 LEU 27 HD11 LEU 27 11.668 -2.234 -3.072 228 HD12 LEU 27 HD12 LEU 27 10.362 -1.228 -2.447 229 HD13 LEU 27 HD13 LEU 27 10.595 -2.860 -1.821 230 HD21 LEU 27 HD21 LEU 27 12.249 0.659 -1.609 231 HD22 LEU 27 HD22 LEU 27 13.081 -0.435 -2.716 232 HD23 LEU 27 HD23 LEU 27 13.749 -0.131 -1.118 233 H TRP 28 HN TRP 28 12.285 -1.979 3.153 234 HA TRP 28 HA TRP 28 15.030 -2.925 2.389 235 HB2 TRP 28 HB2 TRP 28 13.748 -3.076 5.121 236 HB3 TRP 28 HB1 TRP 28 15.447 -3.319 4.711 237 HD1 TRP 28 HD1 TRP 28 16.067 -0.891 2.930 238 HE1 TRP 28 HE1 TRP 28 16.042 1.508 3.872 239 HE3 TRP 28 HE3 TRP 28 13.102 -1.586 7.030 240 HZ2 TRP 28 HZ2 TRP 28 14.913 2.943 6.074 241 HZ3 TRP 28 HZ3 TRP 28 12.569 0.313 8.530 242 HH2 TRP 28 HH2 TRP 28 13.469 2.574 8.057 243 H GLU 29 HN GLU 29 15.394 -5.108 2.251 244 HA GLU 29 HA GLU 29 13.060 -6.823 1.874 245 HB2 GLU 29 HB2 GLU 29 14.715 -8.505 1.175 246 HB3 GLU 29 HB1 GLU 29 15.005 -6.962 0.378 247 HG2 GLU 29 HG2 GLU 29 17.159 -7.573 1.080 248 HG3 GLU 29 HG1 GLU 29 16.632 -6.499 2.373 249 H ASN 30 HN ASN 30 12.393 -8.498 3.175 250 HA ASN 30 HA ASN 30 13.622 -8.635 5.888 251 HB2 ASN 30 HB2 ASN 30 11.114 -8.156 5.458 252 HB3 ASN 30 HB1 ASN 30 10.995 -9.869 5.055 253 HD21 ASN 30 HD21 ASN 30 9.574 -9.972 7.058 254 HD22 ASN 30 HD22 ASN 30 10.324 -10.110 8.572 255 H THR 31 HN THR 31 13.994 -10.727 6.834 256 HA THR 31 HA THR 31 14.767 -12.785 4.830 257 HB THR 31 HB THR 31 15.391 -12.467 7.779 258 HG1 THR 31 HG1 THR 31 16.834 -11.186 6.990 259 HG21 THR 31 HG21 THR 31 17.186 -14.232 7.109 260 HG22 THR 31 HG22 THR 31 16.098 -14.593 5.768 261 HG23 THR 31 HG23 THR 31 15.540 -14.781 7.431 262 H HIS 32 HN HIS 32 12.179 -12.079 6.857 263 HA HIS 32 HA HIS 32 11.593 -14.821 7.693 264 HB2 HIS 32 HB2 HIS 32 9.989 -12.260 7.795 265 HB3 HIS 32 HB1 HIS 32 9.391 -13.803 8.408 266 HD1 HIS 32 HD1 HIS 32 11.042 -14.981 10.248 267 HD2 HIS 32 HD2 HIS 32 11.575 -10.895 9.623 268 HE1 HIS 32 HE1 HIS 32 12.353 -14.120 12.235 269 H GLU 33 HN GLU 33 10.333 -16.275 6.667 270 HA GLU 33 HA GLU 33 9.672 -15.936 3.886 271 HB2 GLU 33 HB2 GLU 33 10.156 -18.106 5.230 272 HB3 GLU 33 HB1 GLU 33 8.460 -18.025 5.695 273 HG2 GLU 33 HG2 GLU 33 9.420 -17.990 2.819 274 HG3 GLU 33 HG1 GLU 33 8.884 -19.443 3.665 275 H SER 34 HN SER 34 7.792 -15.755 6.869 276 HA SER 34 HA SER 34 5.194 -15.659 5.696 277 HB2 SER 34 HB2 SER 34 5.589 -15.958 8.120 278 HB3 SER 34 HB1 SER 34 6.189 -14.306 8.217 279 HG SER 34 HG SER 34 4.200 -13.552 7.963 280 H ILE 35 HN ILE 35 7.516 -13.071 6.427 281 HA ILE 35 HA ILE 35 5.743 -11.144 4.968 282 HB ILE 35 HB ILE 35 7.926 -10.698 7.011 283 HG12 ILE 35 HG12 ILE 35 4.983 -9.977 7.083 284 HG13 ILE 35 HG11 ILE 35 5.615 -11.488 7.738 285 HG21 ILE 35 HG21 ILE 35 8.158 -8.850 5.571 286 HG22 ILE 35 HG22 ILE 35 7.015 -8.264 6.778 287 HG23 ILE 35 HG23 ILE 35 6.436 -8.800 5.200 288 HD11 ILE 35 HD11 ILE 35 5.362 -9.589 9.416 289 HD12 ILE 35 HD12 ILE 35 6.676 -8.777 8.564 290 HD13 ILE 35 HD13 ILE 35 6.960 -10.331 9.348 291 H SER 36 HN SER 36 6.392 -10.368 3.073 292 HA SER 36 HA SER 36 8.847 -11.294 1.821 293 HB2 SER 36 HB2 SER 36 6.666 -10.834 0.617 294 HB3 SER 36 HB1 SER 36 6.962 -9.122 0.877 295 HG SER 36 HG SER 36 8.959 -9.412 -0.240 296 H GLN 37 HN GLN 37 7.711 -7.923 1.970 297 HA GLN 37 HA GLN 37 10.329 -7.097 3.111 298 HB2 GLN 37 HB2 GLN 37 10.580 -5.349 1.370 299 HB3 GLN 37 HB1 GLN 37 10.646 -6.970 0.682 300 HG2 GLN 37 HG2 GLN 37 8.302 -6.805 -0.013 301 HG3 GLN 37 HG1 GLN 37 8.169 -5.215 0.740 302 HE21 GLN 37 HE21 GLN 37 7.741 -4.139 -1.314 303 HE22 GLN 37 HE22 GLN 37 8.958 -3.946 -2.481 304 H VAL 38 HN VAL 38 10.283 -4.912 3.941 305 HA VAL 38 HA VAL 38 7.544 -3.760 4.306 306 HB VAL 38 HB VAL 38 8.239 -3.223 6.679 307 HG11 VAL 38 HG11 VAL 38 7.824 -5.594 7.451 308 HG12 VAL 38 HG12 VAL 38 7.953 -6.095 5.764 309 HG13 VAL 38 HG13 VAL 38 6.669 -4.996 6.263 310 HG21 VAL 38 HG21 VAL 38 10.028 -4.667 7.635 311 HG22 VAL 38 HG22 VAL 38 10.663 -3.553 6.423 312 HG23 VAL 38 HG23 VAL 38 10.404 -5.250 6.012 313 H GLY 39 HN GLY 39 7.469 -1.588 4.067 314 HA2 GLY 39 HA2 GLY 39 9.857 0.075 4.447 315 HA3 GLY 39 HA1 GLY 39 9.361 -0.095 2.763 316 H LEU 40 HN LEU 40 9.040 2.299 2.975 317 HA LEU 40 HA LEU 40 6.260 2.841 3.937 318 HB2 LEU 40 HB2 LEU 40 7.032 5.098 4.683 319 HB3 LEU 40 HB1 LEU 40 7.698 3.778 5.635 320 HG LEU 40 HG LEU 40 9.306 4.635 3.251 321 HD11 LEU 40 HD11 LEU 40 8.617 6.798 4.215 322 HD12 LEU 40 HD12 LEU 40 10.332 6.501 4.492 323 HD13 LEU 40 HD13 LEU 40 9.175 6.270 5.803 324 HD21 LEU 40 HD21 LEU 40 11.148 3.984 4.616 325 HD22 LEU 40 HD22 LEU 40 9.889 2.811 4.992 326 HD23 LEU 40 HD23 LEU 40 10.209 4.142 6.100 327 H LEU 41 HN LEU 41 5.105 4.360 2.758 328 HA LEU 41 HA LEU 41 6.334 5.150 0.133 329 HB2 LEU 41 HB2 LEU 41 3.408 4.589 0.658 330 HB3 LEU 41 HB1 LEU 41 4.200 4.806 -0.901 331 HG LEU 41 HG LEU 41 4.853 2.546 1.013 332 HD11 LEU 41 HD11 LEU 41 3.091 2.565 -1.453 333 HD12 LEU 41 HD12 LEU 41 2.542 2.349 0.209 334 HD13 LEU 41 HD13 LEU 41 3.565 1.128 -0.547 335 HD21 LEU 41 HD21 LEU 41 6.687 2.971 -0.477 336 HD22 LEU 41 HD22 LEU 41 5.598 3.186 -1.850 337 HD23 LEU 41 HD23 LEU 41 5.819 1.589 -1.139 338 H GLY 42 HN GLY 42 6.151 7.249 -0.428 339 HA2 GLY 42 HA2 GLY 42 4.889 9.099 1.536 340 HA3 GLY 42 HA1 GLY 42 6.117 9.538 0.353 341 H ASP 43 HN ASP 43 3.221 10.412 0.979 342 HA ASP 43 HA ASP 43 2.380 10.575 -1.886 343 HB2 ASP 43 HB2 ASP 43 1.047 8.834 -0.626 344 HB3 ASP 43 HB1 ASP 43 0.464 10.132 0.412 345 H GLU 44 HN GLU 44 3.807 12.419 -0.240 346 HA GLU 44 HA GLU 44 3.808 14.706 0.262 347 HB2 GLU 44 HB2 GLU 44 1.177 14.632 -1.257 348 HB3 GLU 44 HB1 GLU 44 1.972 16.105 -0.722 349 HG2 GLU 44 HG2 GLU 44 3.947 15.563 -2.052 350 HG3 GLU 44 HG1 GLU 44 3.219 14.032 -2.541 351 H THR 45 HN THR 45 0.747 13.054 0.932 352 HA THR 45 HA THR 45 0.038 14.882 3.090 353 HB THR 45 HB THR 45 -1.719 13.089 3.547 354 HG1 THR 45 HG1 THR 45 -1.558 11.293 2.493 355 HG21 THR 45 HG21 THR 45 -2.953 13.599 1.421 356 HG22 THR 45 HG22 THR 45 -1.470 14.317 0.789 357 HG23 THR 45 HG23 THR 45 -2.263 15.025 2.196 358 H GLY 46 HN GLY 46 2.634 13.289 3.106 359 HA2 GLY 46 HA2 GLY 46 3.737 12.931 5.306 360 HA3 GLY 46 HA1 GLY 46 2.285 12.094 5.840 361 H ILE 47 HN ILE 47 3.891 10.389 6.365 362 HA ILE 47 HA ILE 47 4.390 8.619 3.999 363 HB ILE 47 HB ILE 47 6.464 7.850 5.125 364 HG12 ILE 47 HG12 ILE 47 5.952 10.175 7.016 365 HG13 ILE 47 HG11 ILE 47 5.787 8.474 7.447 366 HG21 ILE 47 HG21 ILE 47 6.383 9.733 3.425 367 HG22 ILE 47 HG22 ILE 47 7.800 9.720 4.474 368 HG23 ILE 47 HG23 ILE 47 6.484 10.854 4.783 369 HD11 ILE 47 HD11 ILE 47 8.178 8.116 6.855 370 HD12 ILE 47 HD12 ILE 47 7.983 9.289 8.156 371 HD13 ILE 47 HD13 ILE 47 8.330 9.840 6.518 372 H ILE 48 HN ILE 48 4.008 6.431 4.344 373 HA ILE 48 HA ILE 48 3.099 5.614 7.074 374 HB ILE 48 HB ILE 48 1.092 6.229 5.740 375 HG12 ILE 48 HG12 ILE 48 1.277 3.227 6.073 376 HG13 ILE 48 HG11 ILE 48 1.190 4.323 7.452 377 HG21 ILE 48 HG21 ILE 48 0.523 5.066 3.736 378 HG22 ILE 48 HG22 ILE 48 1.812 3.885 3.967 379 HG23 ILE 48 HG23 ILE 48 2.208 5.548 3.533 380 HD11 ILE 48 HD11 ILE 48 -0.925 5.241 6.608 381 HD12 ILE 48 HD12 ILE 48 -1.049 3.494 6.819 382 HD13 ILE 48 HD13 ILE 48 -0.839 4.175 5.205 383 H LYS 49 HN LYS 49 3.525 3.496 7.583 384 HA LYS 49 HA LYS 49 5.488 2.127 5.895 385 HB2 LYS 49 HB2 LYS 49 4.278 1.412 8.569 386 HB3 LYS 49 HB1 LYS 49 5.571 0.504 7.782 387 HG2 LYS 49 HG2 LYS 49 6.865 2.705 7.680 388 HG3 LYS 49 HG1 LYS 49 5.653 3.357 8.780 389 HD2 LYS 49 HD2 LYS 49 7.307 0.878 9.314 390 HD3 LYS 49 HD1 LYS 49 7.673 2.477 9.954 391 HE2 LYS 49 HE2 LYS 49 5.278 0.733 10.566 392 HE3 LYS 49 HE1 LYS 49 6.479 1.362 11.691 393 HZ1 LYS 49 HZ1 LYS 49 4.608 2.720 11.941 394 HZ2 LYS 49 HZ2 LYS 49 4.356 2.849 10.266 395 HZ3 LYS 49 HZ3 LYS 49 5.677 3.632 10.990 396 H PHE 50 HN PHE 50 5.254 -0.080 5.168 397 HA PHE 50 HA PHE 50 2.490 -1.170 5.142 398 HB2 PHE 50 HB2 PHE 50 2.438 -1.436 2.749 399 HB3 PHE 50 HB1 PHE 50 2.783 0.259 3.087 400 HD1 PHE 50 HD2 PHE 50 5.127 1.126 2.845 401 HD2 PHE 50 HD1 PHE 50 4.033 -2.851 1.668 402 HE1 PHE 50 HE2 PHE 50 7.203 0.954 1.492 403 HE2 PHE 50 HE1 PHE 50 6.107 -3.028 0.320 404 HZ PHE 50 HZ PHE 50 7.694 -1.128 0.233 405 H THR 51 HN THR 51 2.424 -3.407 4.653 406 HA THR 51 HA THR 51 5.059 -4.821 4.597 407 HB THR 51 HB THR 51 2.653 -5.546 6.299 408 HG1 THR 51 HG1 THR 51 4.780 -5.217 7.750 409 HG21 THR 51 HG21 THR 51 5.327 -6.854 5.800 410 HG22 THR 51 HG22 THR 51 3.723 -7.565 5.641 411 HG23 THR 51 HG23 THR 51 4.372 -7.201 7.239 412 H ILE 52 HN ILE 52 5.138 -6.332 3.025 413 HA ILE 52 HA ILE 52 2.600 -6.977 1.581 414 HB ILE 52 HB ILE 52 5.507 -7.296 0.799 415 HG12 ILE 52 HG12 ILE 52 3.343 -5.513 -0.353 416 HG13 ILE 52 HG11 ILE 52 4.516 -4.973 0.848 417 HG21 ILE 52 HG21 ILE 52 2.931 -8.048 -0.596 418 HG22 ILE 52 HG22 ILE 52 4.323 -9.076 -0.260 419 HG23 ILE 52 HG23 ILE 52 4.439 -7.804 -1.476 420 HD11 ILE 52 HD11 ILE 52 6.359 -5.597 -0.688 421 HD12 ILE 52 HD12 ILE 52 5.293 -4.389 -1.406 422 HD13 ILE 52 HD13 ILE 52 5.170 -6.079 -1.898 423 H TRP 53 HN TRP 53 1.717 -8.940 1.840 424 HA TRP 53 HA TRP 53 3.335 -11.104 3.125 425 HB2 TRP 53 HB2 TRP 53 0.335 -11.020 2.761 426 HB3 TRP 53 HB1 TRP 53 1.262 -12.056 3.844 427 HD1 TRP 53 HD1 TRP 53 0.049 -8.456 3.440 428 HE1 TRP 53 HE1 TRP 53 0.282 -7.245 5.705 429 HE3 TRP 53 HE3 TRP 53 2.569 -12.020 6.089 430 HZ2 TRP 53 HZ2 TRP 53 1.393 -7.727 8.298 431 HZ3 TRP 53 HZ3 TRP 53 3.202 -11.620 8.451 432 HH2 TRP 53 HH2 TRP 53 2.617 -9.480 9.558 433 H LYS 54 HN LYS 54 3.518 -13.097 2.100 434 HA LYS 54 HA LYS 54 2.953 -13.110 -0.799 435 HB2 LYS 54 HB2 LYS 54 4.426 -15.015 1.043 436 HB3 LYS 54 HB1 LYS 54 4.221 -15.306 -0.686 437 HG2 LYS 54 HG2 LYS 54 5.329 -13.140 -1.168 438 HG3 LYS 54 HG1 LYS 54 5.556 -12.883 0.561 439 HD2 LYS 54 HD2 LYS 54 6.935 -14.917 0.697 440 HD3 LYS 54 HD1 LYS 54 6.694 -15.203 -1.027 441 HE2 LYS 54 HE2 LYS 54 7.787 -13.050 -1.541 442 HE3 LYS 54 HE1 LYS 54 8.027 -12.760 0.181 443 HZ1 LYS 54 HZ1 LYS 54 9.285 -14.895 0.231 444 HZ2 LYS 54 HZ2 LYS 54 10.024 -13.664 -0.675 445 HZ3 LYS 54 HZ3 LYS 54 9.207 -14.928 -1.462 446 H ASN 55 HN ASN 55 0.630 -13.090 0.702 447 HA ASN 55 HA ASN 55 -0.466 -15.648 1.327 448 HB2 ASN 55 HB2 ASN 55 -2.595 -14.552 1.358 449 HB3 ASN 55 HB1 ASN 55 -1.430 -13.340 1.889 450 HD21 ASN 55 HD21 ASN 55 -0.471 -12.021 -0.169 451 HD22 ASN 55 HD22 ASN 55 -1.642 -11.528 -1.290 452 H ALA 56 HN ALA 56 -0.424 -13.774 -1.678 453 HA ALA 56 HA ALA 56 -1.386 -16.210 -3.159 454 HB1 ALA 56 HB1 ALA 56 -3.028 -14.449 -3.339 455 HB2 ALA 56 HB2 ALA 56 -2.172 -14.542 -4.879 456 HB3 ALA 56 HB3 ALA 56 -1.779 -13.266 -3.728 457 H GLU 57 HN GLU 57 0.027 -13.197 -4.374 458 HA GLU 57 HA GLU 57 2.684 -14.131 -4.775 459 HB2 GLU 57 HB2 GLU 57 2.443 -14.454 -7.346 460 HB3 GLU 57 HB1 GLU 57 1.965 -15.792 -6.304 461 HG2 GLU 57 HG2 GLU 57 -0.363 -15.248 -6.527 462 HG3 GLU 57 HG1 GLU 57 0.005 -13.712 -7.308 463 H LEU 58 HN LEU 58 2.815 -11.871 -4.108 464 HA LEU 58 HA LEU 58 2.221 -9.906 -6.298 465 HB2 LEU 58 HB2 LEU 58 2.635 -9.321 -3.361 466 HB3 LEU 58 HB1 LEU 58 2.090 -8.194 -4.604 467 HG LEU 58 HG LEU 58 0.610 -10.646 -3.602 468 HD11 LEU 58 HD11 LEU 58 -0.273 -7.756 -3.604 469 HD12 LEU 58 HD12 LEU 58 0.622 -8.460 -2.256 470 HD13 LEU 58 HD13 LEU 58 -0.959 -9.104 -2.698 471 HD21 LEU 58 HD21 LEU 58 0.049 -10.597 -5.894 472 HD22 LEU 58 HD22 LEU 58 0.153 -8.839 -5.982 473 HD23 LEU 58 HD23 LEU 58 -1.216 -9.604 -5.177 474 HA PRO 59 HA PRO 59 6.803 -10.363 -6.522 475 HB2 PRO 59 HB2 PRO 59 6.220 -8.412 -8.727 476 HB3 PRO 59 HB1 PRO 59 7.276 -9.840 -8.738 477 HG2 PRO 59 HG2 PRO 59 4.888 -9.905 -9.900 478 HG3 PRO 59 HG1 PRO 59 5.508 -11.307 -9.010 479 HD2 PRO 59 HD2 PRO 59 3.397 -9.348 -8.202 480 HD3 PRO 59 HD1 PRO 59 3.537 -11.078 -7.820 481 H LEU 60 HN LEU 60 8.562 -8.838 -6.187 482 HA LEU 60 HA LEU 60 7.921 -6.731 -4.352 483 HB2 LEU 60 HB2 LEU 60 10.517 -7.088 -5.868 484 HB3 LEU 60 HB1 LEU 60 10.291 -6.225 -4.348 485 HG LEU 60 HG LEU 60 9.943 -9.204 -4.803 486 HD11 LEU 60 HD11 LEU 60 11.779 -9.262 -3.038 487 HD12 LEU 60 HD12 LEU 60 11.959 -7.528 -3.292 488 HD13 LEU 60 HD13 LEU 60 12.271 -8.648 -4.617 489 HD21 LEU 60 HD21 LEU 60 8.294 -8.699 -3.194 490 HD22 LEU 60 HD22 LEU 60 9.261 -7.413 -2.474 491 HD23 LEU 60 HD23 LEU 60 9.695 -9.099 -2.202 492 H LEU 61 HN LEU 61 7.815 -4.534 -4.611 493 HA LEU 61 HA LEU 61 7.278 -3.553 -7.328 494 HB2 LEU 61 HB2 LEU 61 6.971 -2.429 -4.551 495 HB3 LEU 61 HB1 LEU 61 6.802 -1.386 -5.965 496 HG LEU 61 HG LEU 61 5.043 -2.842 -6.858 497 HD11 LEU 61 HD11 LEU 61 5.647 -5.011 -6.120 498 HD12 LEU 61 HD12 LEU 61 4.169 -4.648 -5.231 499 HD13 LEU 61 HD13 LEU 61 5.735 -4.506 -4.432 500 HD21 LEU 61 HD21 LEU 61 4.392 -1.035 -5.304 501 HD22 LEU 61 HD22 LEU 61 4.589 -2.135 -3.940 502 HD23 LEU 61 HD23 LEU 61 3.322 -2.426 -5.133 503 H GLU 62 HN GLU 62 8.345 -1.798 -8.300 504 HA GLU 62 HA GLU 62 11.209 -1.718 -7.857 505 HB2 GLU 62 HB2 GLU 62 9.372 -0.142 -9.669 506 HB3 GLU 62 HB1 GLU 62 11.128 0.015 -9.687 507 HG2 GLU 62 HG2 GLU 62 11.363 -2.366 -10.209 508 HG3 GLU 62 HG1 GLU 62 9.615 -2.578 -10.118 509 H GLN 63 HN GLN 63 12.459 0.070 -7.225 510 HA GLN 63 HA GLN 63 11.173 1.802 -5.230 511 HB2 GLN 63 HB2 GLN 63 13.318 0.732 -4.720 512 HB3 GLN 63 HB1 GLN 63 14.062 1.556 -6.088 513 HG2 GLN 63 HG2 GLN 63 13.695 3.721 -5.081 514 HG3 GLN 63 HG1 GLN 63 12.730 3.008 -3.789 515 HE21 GLN 63 HE21 GLN 63 15.056 4.565 -3.216 516 HE22 GLN 63 HE22 GLN 63 16.237 3.541 -2.555 517 H GLY 64 HN GLY 64 10.883 3.981 -5.391 518 HA2 GLY 64 HA2 GLY 64 11.045 6.161 -6.277 519 HA3 GLY 64 HA1 GLY 64 12.170 5.560 -7.492 520 H GLU 65 HN GLU 65 9.367 3.662 -7.316 521 HA GLU 65 HA GLU 65 8.213 5.084 -9.699 522 HB2 GLU 65 HB2 GLU 65 8.258 2.141 -9.007 523 HB3 GLU 65 HB1 GLU 65 7.355 2.825 -10.358 524 HG2 GLU 65 HG2 GLU 65 10.348 3.130 -9.969 525 HG3 GLU 65 HG1 GLU 65 9.600 1.938 -11.031 526 H SER 66 HN SER 66 6.006 5.310 -9.849 527 HA SER 66 HA SER 66 4.565 5.378 -7.313 528 HB2 SER 66 HB2 SER 66 4.156 7.204 -8.789 529 HB3 SER 66 HB1 SER 66 3.826 6.122 -10.138 530 HG SER 66 HG SER 66 2.056 5.323 -8.742 531 H TYR 67 HN TYR 67 2.822 4.109 -6.722 532 HA TYR 67 HA TYR 67 1.971 1.941 -8.582 533 HB2 TYR 67 HB2 TYR 67 3.129 1.591 -5.815 534 HB3 TYR 67 HB1 TYR 67 2.061 0.382 -6.524 535 HD1 TYR 67 HD2 TYR 67 2.650 -0.369 -8.964 536 HD2 TYR 67 HD1 TYR 67 5.435 1.479 -6.269 537 HE1 TYR 67 HE2 TYR 67 4.533 -1.298 -10.279 538 HE2 TYR 67 HE1 TYR 67 7.324 0.548 -7.582 539 HH TYR 67 HH TYR 67 7.478 -0.239 -10.264 540 H LEU 68 HN LEU 68 -0.109 1.211 -8.231 541 HA LEU 68 HA LEU 68 -1.761 2.828 -6.328 542 HB2 LEU 68 HB2 LEU 68 -2.456 3.257 -8.591 543 HB3 LEU 68 HB1 LEU 68 -2.415 1.545 -8.994 544 HG LEU 68 HG LEU 68 -4.305 1.108 -7.525 545 HD11 LEU 68 HD11 LEU 68 -3.993 2.599 -5.704 546 HD12 LEU 68 HD12 LEU 68 -5.449 3.186 -6.503 547 HD13 LEU 68 HD13 LEU 68 -3.909 4.002 -6.765 548 HD21 LEU 68 HD21 LEU 68 -4.800 3.559 -9.239 549 HD22 LEU 68 HD22 LEU 68 -6.032 2.429 -8.679 550 HD23 LEU 68 HD23 LEU 68 -4.795 1.891 -9.814 551 H LEU 69 HN LEU 69 -2.551 1.701 -4.659 552 HA LEU 69 HA LEU 69 -2.484 -1.274 -4.724 553 HB2 LEU 69 HB2 LEU 69 -2.867 0.697 -2.459 554 HB3 LEU 69 HB1 LEU 69 -2.774 -1.053 -2.267 555 HG LEU 69 HG LEU 69 -0.551 0.376 -3.721 556 HD11 LEU 69 HD11 LEU 69 -0.671 1.701 -1.732 557 HD12 LEU 69 HD12 LEU 69 0.624 0.532 -1.474 558 HD13 LEU 69 HD13 LEU 69 -0.953 0.280 -0.724 559 HD21 LEU 69 HD21 LEU 69 -0.410 -1.942 -1.781 560 HD22 LEU 69 HD22 LEU 69 0.746 -1.500 -3.036 561 HD23 LEU 69 HD23 LEU 69 -0.815 -2.184 -3.476 562 H ARG 70 HN ARG 70 -4.320 -2.439 -4.810 563 HA ARG 70 HA ARG 70 -6.922 -1.086 -4.213 564 HB2 ARG 70 HB2 ARG 70 -6.223 -2.864 -6.551 565 HB3 ARG 70 HB1 ARG 70 -7.885 -2.518 -6.077 566 HG2 ARG 70 HG2 ARG 70 -7.511 -0.126 -6.390 567 HG3 ARG 70 HG1 ARG 70 -5.812 -0.420 -6.753 568 HD2 ARG 70 HD2 ARG 70 -7.051 -0.111 -8.841 569 HD3 ARG 70 HD1 ARG 70 -6.499 -1.781 -8.728 570 HE ARG 70 HE ARG 70 -9.138 -1.551 -7.622 571 HH11 ARG 70 HH21 ARG 70 -7.373 -1.516 -10.590 572 HH12 ARG 70 HH22 ARG 70 -8.699 -2.110 -11.533 573 HH21 ARG 70 HH11 ARG 70 -10.869 -2.322 -8.844 574 HH22 ARG 70 HH12 ARG 70 -10.672 -2.565 -10.547 575 H SER 71 HN SER 71 -8.052 -2.122 -2.740 576 HA SER 71 HA SER 71 -9.067 -3.894 -1.586 577 HB2 SER 71 HB2 SER 71 -7.264 -5.949 -2.839 578 HB3 SER 71 HB1 SER 71 -8.951 -6.086 -2.355 579 HG SER 71 HG SER 71 -9.183 -4.342 -4.087 580 H VAL 72 HN VAL 72 -7.160 -2.394 -0.366 581 HA VAL 72 HA VAL 72 -5.441 -4.399 1.078 582 HB VAL 72 HB VAL 72 -4.086 -2.396 1.766 583 HG11 VAL 72 HG11 VAL 72 -3.548 -3.928 -0.173 584 HG12 VAL 72 HG12 VAL 72 -2.872 -2.308 -0.306 585 HG13 VAL 72 HG13 VAL 72 -4.307 -2.744 -1.233 586 HG21 VAL 72 HG21 VAL 72 -4.420 -0.289 0.721 587 HG22 VAL 72 HG22 VAL 72 -6.037 -0.796 1.206 588 HG23 VAL 72 HG23 VAL 72 -5.527 -0.963 -0.475 589 H VAL 73 HN VAL 73 -5.139 -3.963 3.391 590 HA VAL 73 HA VAL 73 -7.524 -2.638 4.636 591 HB VAL 73 HB VAL 73 -7.867 -5.007 4.814 592 HG11 VAL 73 HG11 VAL 73 -5.066 -5.201 5.966 593 HG12 VAL 73 HG12 VAL 73 -5.513 -5.675 4.327 594 HG13 VAL 73 HG13 VAL 73 -6.190 -6.535 5.708 595 HG21 VAL 73 HG21 VAL 73 -8.137 -3.515 6.881 596 HG22 VAL 73 HG22 VAL 73 -6.620 -4.210 7.448 597 HG23 VAL 73 HG23 VAL 73 -8.018 -5.250 7.177 598 H VAL 74 HN VAL 74 -7.104 -1.322 6.336 599 HA VAL 74 HA VAL 74 -4.294 -0.673 6.890 600 HB VAL 74 HB VAL 74 -6.754 0.531 8.154 601 HG11 VAL 74 HG11 VAL 74 -3.932 1.521 7.648 602 HG12 VAL 74 HG12 VAL 74 -4.651 1.146 9.214 603 HG13 VAL 74 HG13 VAL 74 -5.240 2.520 8.280 604 HG21 VAL 74 HG21 VAL 74 -7.076 0.653 5.755 605 HG22 VAL 74 HG22 VAL 74 -5.403 1.155 5.510 606 HG23 VAL 74 HG23 VAL 74 -6.541 2.242 6.305 607 H GLY 75 HN GLY 75 -3.234 -1.864 8.359 608 HA2 GLY 75 HA2 GLY 75 -4.707 -3.121 10.612 609 HA3 GLY 75 HA1 GLY 75 -3.054 -3.490 10.121 610 H GLU 76 HN GLU 76 -3.341 -3.118 12.736 611 HA GLU 76 HA GLU 76 -2.523 -0.291 13.307 612 HB2 GLU 76 HB2 GLU 76 -4.505 -1.112 14.553 613 HB3 GLU 76 HB1 GLU 76 -3.527 -2.425 15.211 614 HG2 GLU 76 HG2 GLU 76 -2.029 -0.812 16.281 615 HG3 GLU 76 HG1 GLU 76 -2.931 0.525 15.569 616 H TYR 77 HN TYR 77 -0.409 -0.004 13.670 617 HA TYR 77 HA TYR 77 1.195 -2.252 14.832 618 HB2 TYR 77 HB2 TYR 77 1.655 -2.225 12.451 619 HB3 TYR 77 HB1 TYR 77 1.936 -0.484 12.486 620 HD1 TYR 77 HD1 TYR 77 3.157 -3.718 13.900 621 HD2 TYR 77 HD2 TYR 77 4.075 0.380 12.992 622 HE1 TYR 77 HE1 TYR 77 5.531 -4.119 14.497 623 HE2 TYR 77 HE2 TYR 77 6.449 -0.022 13.583 624 HH TYR 77 HH TYR 77 7.572 -3.256 14.589 625 H ASN 78 HN ASN 78 1.936 -1.567 16.720 626 HA ASN 78 HA ASN 78 2.792 -0.194 18.397 627 HB2 ASN 78 HB2 ASN 78 4.034 1.123 15.964 628 HB3 ASN 78 HB1 ASN 78 4.482 1.500 17.629 629 HD21 ASN 78 HD21 ASN 78 3.789 -1.622 18.053 630 HD22 ASN 78 HD22 ASN 78 5.261 -2.351 17.628 631 H ASP 79 HN ASP 79 0.175 0.399 17.508 632 HA ASP 79 HA ASP 79 -1.458 2.021 17.925 633 HB2 ASP 79 HB2 ASP 79 0.708 3.952 18.789 634 HB3 ASP 79 HB1 ASP 79 -0.970 3.873 19.316 635 H ARG 80 HN ARG 80 0.973 2.239 15.708 636 HA ARG 80 HA ARG 80 0.024 4.804 14.522 637 HB2 ARG 80 HB2 ARG 80 2.312 2.981 13.754 638 HB3 ARG 80 HB1 ARG 80 1.937 4.516 12.975 639 HG2 ARG 80 HG2 ARG 80 2.344 4.423 15.963 640 HG3 ARG 80 HG1 ARG 80 3.741 4.445 14.892 641 HD2 ARG 80 HD2 ARG 80 1.507 6.502 14.882 642 HD3 ARG 80 HD1 ARG 80 3.109 6.733 15.576 643 HE ARG 80 HE ARG 80 3.526 5.950 12.914 644 HH11 ARG 80 HH21 ARG 80 1.977 8.483 14.663 645 HH12 ARG 80 HH22 ARG 80 2.238 9.669 13.429 646 HH21 ARG 80 HH11 ARG 80 3.868 7.477 11.299 647 HH22 ARG 80 HH12 ARG 80 3.308 9.101 11.525 648 H PHE 81 HN PHE 81 -0.321 4.792 12.132 649 HA PHE 81 HA PHE 81 -2.140 2.576 11.453 650 HB2 PHE 81 HB2 PHE 81 -1.492 5.242 10.189 651 HB3 PHE 81 HB1 PHE 81 -2.547 4.064 9.406 652 HD1 PHE 81 HD2 PHE 81 -4.552 3.177 10.730 653 HD2 PHE 81 HD1 PHE 81 -2.332 6.665 11.891 654 HE1 PHE 81 HE2 PHE 81 -6.446 3.907 12.153 655 HE2 PHE 81 HE1 PHE 81 -4.226 7.395 13.318 656 HZ PHE 81 HZ PHE 81 -6.283 6.016 13.448 657 H GLN 82 HN GLN 82 -1.801 1.100 9.848 658 HA GLN 82 HA GLN 82 0.583 1.373 8.089 659 HB2 GLN 82 HB2 GLN 82 1.314 0.092 10.096 660 HB3 GLN 82 HB1 GLN 82 0.024 -1.074 9.795 661 HG2 GLN 82 HG2 GLN 82 0.998 -1.578 7.578 662 HG3 GLN 82 HG1 GLN 82 2.289 -0.419 7.887 663 HE21 GLN 82 HE21 GLN 82 4.157 -1.389 8.642 664 HE22 GLN 82 HE22 GLN 82 4.219 -2.817 9.557 665 H VAL 83 HN VAL 83 0.371 0.127 6.162 666 HA VAL 83 HA VAL 83 -2.374 -0.980 5.679 667 HB VAL 83 HB VAL 83 -1.988 -0.408 3.294 668 HG11 VAL 83 HG11 VAL 83 -3.221 1.165 4.632 669 HG12 VAL 83 HG12 VAL 83 -2.091 2.096 3.649 670 HG13 VAL 83 HG13 VAL 83 -1.741 1.798 5.352 671 HG21 VAL 83 HG21 VAL 83 0.598 0.671 4.438 672 HG22 VAL 83 HG22 VAL 83 -0.075 1.287 2.930 673 HG23 VAL 83 HG23 VAL 83 0.376 -0.411 3.065 674 H GLN 84 HN GLN 84 -2.490 -3.078 5.194 675 HA GLN 84 HA GLN 84 0.047 -4.552 4.611 676 HB2 GLN 84 HB2 GLN 84 -2.571 -5.401 5.859 677 HB3 GLN 84 HB1 GLN 84 -1.333 -6.555 5.362 678 HG2 GLN 84 HG2 GLN 84 0.309 -5.420 6.819 679 HG3 GLN 84 HG1 GLN 84 -0.931 -4.270 7.318 680 HE21 GLN 84 HE21 GLN 84 -1.432 -4.848 9.454 681 HE22 GLN 84 HE22 GLN 84 -1.812 -6.423 9.958 682 H VAL 85 HN VAL 85 0.288 -5.402 2.640 683 HA VAL 85 HA VAL 85 -2.020 -5.406 0.770 684 HB VAL 85 HB VAL 85 0.895 -5.954 0.171 685 HG11 VAL 85 HG11 VAL 85 -0.732 -6.696 -1.526 686 HG12 VAL 85 HG12 VAL 85 0.206 -5.324 -2.116 687 HG13 VAL 85 HG13 VAL 85 -1.447 -5.085 -1.549 688 HG21 VAL 85 HG21 VAL 85 0.658 -3.724 1.187 689 HG22 VAL 85 HG22 VAL 85 -0.658 -3.345 0.078 690 HG23 VAL 85 HG23 VAL 85 0.978 -3.571 -0.541 691 H ASN 86 HN ASN 86 -3.163 -7.267 0.926 692 HA ASN 86 HA ASN 86 -1.758 -9.816 0.441 693 HB2 ASN 86 HB2 ASN 86 -3.067 -10.892 2.352 694 HB3 ASN 86 HB1 ASN 86 -1.706 -9.878 2.823 695 HD21 ASN 86 HD21 ASN 86 -4.890 -8.661 1.706 696 HD22 ASN 86 HD22 ASN 86 -5.292 -7.925 3.181 697 H LYS 87 HN LYS 87 -3.768 -11.569 0.790 698 HA LYS 87 HA LYS 87 -5.661 -12.418 -0.258 699 HB2 LYS 87 HB2 LYS 87 -6.598 -10.478 1.205 700 HB3 LYS 87 HB1 LYS 87 -6.796 -9.620 -0.320 701 HG2 LYS 87 HG2 LYS 87 -8.177 -11.439 -1.198 702 HG3 LYS 87 HG1 LYS 87 -7.926 -12.374 0.274 703 HD2 LYS 87 HD2 LYS 87 -9.160 -9.612 0.322 704 HD3 LYS 87 HD1 LYS 87 -10.135 -11.063 0.110 705 HE2 LYS 87 HE2 LYS 87 -9.024 -11.933 2.265 706 HE3 LYS 87 HE1 LYS 87 -8.451 -10.283 2.502 707 HZ1 LYS 87 HZ1 LYS 87 -10.617 -9.472 2.627 708 HZ2 LYS 87 HZ2 LYS 87 -10.630 -10.886 3.569 709 HZ3 LYS 87 HZ3 LYS 87 -11.295 -10.897 2.005 710 H ASN 88 HN ASN 88 -3.504 -11.616 -1.870 711 HA ASN 88 HA ASN 88 -2.923 -11.253 -4.092 712 HB2 ASN 88 HB2 ASN 88 -4.730 -13.108 -4.229 713 HB3 ASN 88 HB1 ASN 88 -5.801 -11.832 -4.811 714 HD21 ASN 88 HD21 ASN 88 -5.582 -11.210 -6.996 715 HD22 ASN 88 HD22 ASN 88 -4.359 -11.769 -8.030 716 H SER 89 HN SER 89 -3.625 -8.942 -2.641 717 HA SER 89 HA SER 89 -5.519 -7.224 -3.821 718 HB2 SER 89 HB2 SER 89 -2.860 -6.716 -2.502 719 HB3 SER 89 HB1 SER 89 -3.838 -5.384 -3.114 720 HG SER 89 HG SER 89 -5.332 -5.787 -1.627 721 H SER 90 HN SER 90 -5.543 -5.947 -5.624 722 HA SER 90 HA SER 90 -3.672 -6.654 -7.762 723 HB2 SER 90 HB2 SER 90 -6.137 -4.944 -7.568 724 HB3 SER 90 HB1 SER 90 -5.127 -4.884 -9.010 725 HG SER 90 HG SER 90 -5.426 -7.416 -8.404 726 H ILE 91 HN ILE 91 -2.179 -5.311 -8.734 727 HA ILE 91 HA ILE 91 -1.716 -2.615 -7.523 728 HB ILE 91 HB ILE 91 0.370 -4.753 -8.033 729 HG12 ILE 91 HG12 ILE 91 -0.387 -3.344 -5.460 730 HG13 ILE 91 HG11 ILE 91 -1.048 -4.908 -5.929 731 HG21 ILE 91 HG21 ILE 91 1.881 -2.976 -6.994 732 HG22 ILE 91 HG22 ILE 91 0.565 -1.831 -7.267 733 HG23 ILE 91 HG23 ILE 91 1.328 -2.641 -8.635 734 HD11 ILE 91 HD11 ILE 91 1.883 -4.260 -5.535 735 HD12 ILE 91 HD12 ILE 91 1.255 -5.816 -6.081 736 HD13 ILE 91 HD13 ILE 91 0.880 -5.232 -4.459 737 H GLU 92 HN GLU 92 -1.324 -1.073 -9.047 738 HA GLU 92 HA GLU 92 -0.687 -1.989 -11.846 739 HB2 GLU 92 HB2 GLU 92 -2.419 0.347 -10.984 740 HB3 GLU 92 HB1 GLU 92 -2.012 -0.059 -12.650 741 HG2 GLU 92 HG2 GLU 92 -3.478 -1.895 -10.735 742 HG3 GLU 92 HG1 GLU 92 -4.250 -0.921 -11.985 743 H LYS 93 HN LYS 93 1.028 -1.002 -12.787 744 HA LYS 93 HA LYS 93 2.643 0.814 -11.148 745 HB2 LYS 93 HB2 LYS 93 3.677 -0.992 -12.498 746 HB3 LYS 93 HB1 LYS 93 3.107 -0.195 -13.965 747 HG2 LYS 93 HG2 LYS 93 4.422 1.797 -13.436 748 HG3 LYS 93 HG1 LYS 93 4.939 1.076 -11.912 749 HD2 LYS 93 HD2 LYS 93 6.047 -0.749 -13.157 750 HD3 LYS 93 HD1 LYS 93 5.547 -0.005 -14.677 751 HE2 LYS 93 HE2 LYS 93 6.818 2.027 -14.117 752 HE3 LYS 93 HE1 LYS 93 7.304 1.308 -12.583 753 HZ1 LYS 93 HZ1 LYS 93 9.057 0.978 -14.123 754 HZ2 LYS 93 HZ2 LYS 93 8.001 0.374 -15.309 755 HZ3 LYS 93 HZ3 LYS 93 8.307 -0.527 -13.901 756 H LEU 94 HN LEU 94 2.531 2.968 -11.259 757 HA LEU 94 HA LEU 94 1.000 4.232 -13.472 758 HB2 LEU 94 HB2 LEU 94 1.796 5.047 -10.689 759 HB3 LEU 94 HB1 LEU 94 1.328 6.283 -11.857 760 HG LEU 94 HG LEU 94 -0.576 5.437 -10.438 761 HD11 LEU 94 HD11 LEU 94 -1.281 4.550 -13.212 762 HD12 LEU 94 HD12 LEU 94 -0.660 6.193 -13.040 763 HD13 LEU 94 HD13 LEU 94 -2.097 5.698 -12.150 764 HD21 LEU 94 HD21 LEU 94 -1.361 3.203 -10.637 765 HD22 LEU 94 HD22 LEU 94 0.388 3.038 -10.481 766 HD23 LEU 94 HD23 LEU 94 -0.377 2.897 -12.064 767 H SER 95 HN SER 95 1.936 5.498 -14.953 768 HA SER 95 HA SER 95 4.869 5.675 -15.024 769 HB2 SER 95 HB2 SER 95 2.719 6.668 -16.916 770 HB3 SER 95 HB1 SER 95 4.448 6.755 -17.240 771 HG SER 95 HG SER 95 2.962 4.390 -16.704 772 H GLU 96 HN GLU 96 2.402 7.427 -13.613 773 HA GLU 96 HA GLU 96 3.786 10.048 -13.975 774 HB2 GLU 96 HB2 GLU 96 1.051 9.378 -12.869 775 HB3 GLU 96 HB1 GLU 96 1.740 11.005 -12.938 776 HG2 GLU 96 HG2 GLU 96 2.014 10.787 -15.380 777 HG3 GLU 96 HG1 GLU 96 1.289 9.182 -15.315 778 HA PRO 97 HA PRO 97 5.294 8.977 -9.796 779 HB2 PRO 97 HB2 PRO 97 7.290 10.842 -9.653 780 HB3 PRO 97 HB1 PRO 97 7.450 9.319 -10.551 781 HG2 PRO 97 HG2 PRO 97 6.910 12.065 -11.565 782 HG3 PRO 97 HG1 PRO 97 7.875 10.766 -12.284 783 HD2 PRO 97 HD2 PRO 97 5.293 11.413 -13.064 784 HD3 PRO 97 HD1 PRO 97 6.045 9.830 -13.339 785 H ILE 98 HN ILE 98 5.279 10.032 -7.711 786 HA ILE 98 HA ILE 98 3.400 12.334 -7.624 787 HB ILE 98 HB ILE 98 4.388 10.680 -5.301 788 HG12 ILE 98 HG12 ILE 98 3.508 9.098 -6.909 789 HG13 ILE 98 HG11 ILE 98 2.278 9.339 -5.671 790 HG21 ILE 98 HG21 ILE 98 1.889 12.317 -5.820 791 HG22 ILE 98 HG22 ILE 98 3.207 12.741 -4.728 792 HG23 ILE 98 HG23 ILE 98 2.177 11.355 -4.370 793 HD11 ILE 98 HD11 ILE 98 2.343 10.442 -8.480 794 HD12 ILE 98 HD12 ILE 98 1.315 11.154 -7.238 795 HD13 ILE 98 HD13 ILE 98 1.086 9.472 -7.715 796 H GLU 99 HN GLU 99 4.126 14.319 -7.183 797 HA GLU 99 HA GLU 99 6.894 14.907 -6.776 798 HB2 GLU 99 HB2 GLU 99 6.070 17.234 -6.317 799 HB3 GLU 99 HB1 GLU 99 5.415 16.545 -7.803 800 HG2 GLU 99 HG2 GLU 99 3.395 15.811 -6.426 801 HG3 GLU 99 HG1 GLU 99 4.030 16.817 -5.126 802 H VAL 100 HN VAL 100 8.064 14.961 -4.952 803 HA VAL 100 HA VAL 100 6.648 14.795 -2.314 804 HB VAL 100 HB VAL 100 8.748 13.726 -1.505 805 HG11 VAL 100 HG11 VAL 100 8.313 11.593 -2.479 806 HG12 VAL 100 HG12 VAL 100 7.755 12.314 -3.989 807 HG13 VAL 100 HG13 VAL 100 6.772 12.452 -2.530 808 HG21 VAL 100 HG21 VAL 100 10.406 12.987 -3.206 809 HG22 VAL 100 HG22 VAL 100 10.310 14.745 -3.113 810 HG23 VAL 100 HG23 VAL 100 9.524 13.887 -4.439 811 H GLY 101 HN GLY 101 8.442 16.809 -4.326 812 HA2 GLY 101 HA2 GLY 101 8.518 19.129 -3.030 813 HA3 GLY 101 HA1 GLY 101 9.754 18.280 -2.098 814 H LEU 102 HN LEU 102 8.908 18.997 -5.491 815 HA LEU 102 HA LEU 102 11.723 18.744 -6.311 816 HB2 LEU 102 HB2 LEU 102 10.854 19.296 -8.558 817 HB3 LEU 102 HB1 LEU 102 9.943 17.982 -7.818 818 HG LEU 102 HG LEU 102 8.507 20.182 -6.936 819 HD11 LEU 102 HD11 LEU 102 8.278 21.809 -8.634 820 HD12 LEU 102 HD12 LEU 102 9.100 20.807 -9.832 821 HD13 LEU 102 HD13 LEU 102 10.019 21.555 -8.529 822 HD21 LEU 102 HD21 LEU 102 7.524 18.162 -7.902 823 HD22 LEU 102 HD22 LEU 102 8.116 18.604 -9.502 824 HD23 LEU 102 HD23 LEU 102 6.869 19.579 -8.724 825 H GLU 103 HN GLU 103 10.028 21.055 -4.718 826 HA GLU 103 HA GLU 103 10.442 23.512 -5.983 827 HB2 GLU 103 HB2 GLU 103 10.585 24.497 -3.730 828 HB3 GLU 103 HB1 GLU 103 9.342 23.246 -3.772 829 HG2 GLU 103 HG2 GLU 103 11.005 21.618 -2.857 830 HG3 GLU 103 HG1 GLU 103 12.168 22.936 -2.709 831 H HIS 104 HN HIS 104 12.781 21.241 -5.060 832 HA HIS 104 HA HIS 104 15.135 21.383 -4.727 833 HB2 HIS 104 HB2 HIS 104 14.559 22.887 -7.288 834 HB3 HIS 104 HB1 HIS 104 16.182 22.402 -6.796 835 HD1 HIS 104 HD1 HIS 104 13.546 21.237 -8.850 836 HD2 HIS 104 HD2 HIS 104 16.037 19.375 -6.074 837 HE1 HIS 104 HE1 HIS 104 13.474 18.758 -9.370 838 H HIS 105 HN HIS 105 14.982 24.491 -6.356 839 HA HIS 105 HA HIS 105 15.771 26.596 -5.708 840 HB2 HIS 105 HB2 HIS 105 13.786 26.482 -4.210 841 HB3 HIS 105 HB1 HIS 105 14.776 25.714 -2.972 842 HD1 HIS 105 HD1 HIS 105 14.669 28.945 -4.986 843 HD2 HIS 105 HD2 HIS 105 16.151 27.502 -1.367 844 HE1 HIS 105 HE1 HIS 105 15.630 30.942 -3.759 845 H HIS 106 HN HIS 106 17.294 23.867 -5.017 846 HA HIS 106 HA HIS 106 19.258 24.897 -3.066 847 HB2 HIS 106 HB2 HIS 106 18.976 22.280 -4.548 848 HB3 HIS 106 HB1 HIS 106 20.353 22.642 -3.508 849 HD1 HIS 106 HD1 HIS 106 16.678 21.887 -3.411 850 HD2 HIS 106 HD2 HIS 106 19.735 22.773 -0.717 851 HE1 HIS 106 HE1 HIS 106 15.768 21.381 -1.100 852 H HIS 107 HN HIS 107 19.357 26.610 -5.093 853 HA HIS 107 HA HIS 107 20.628 27.463 -6.893 854 HB2 HIS 107 HB2 HIS 107 23.034 27.446 -6.388 855 HB3 HIS 107 HB1 HIS 107 22.090 27.757 -4.932 856 HD1 HIS 107 HD1 HIS 107 22.023 25.898 -3.124 857 HD2 HIS 107 HD2 HIS 107 24.349 24.913 -6.439 858 HE1 HIS 107 HE1 HIS 107 23.348 23.838 -2.482 859 H HIS 108 HN HIS 108 23.039 26.614 -8.018 860 HA HIS 108 HA HIS 108 22.642 23.854 -8.986 861 HB2 HIS 108 HB2 HIS 108 22.586 24.563 -11.362 862 HB3 HIS 108 HB1 HIS 108 21.174 25.130 -10.470 863 HD1 HIS 108 HD1 HIS 108 21.352 27.703 -9.586 864 HD2 HIS 108 HD2 HIS 108 24.029 26.594 -12.584 865 HE1 HIS 108 HE1 HIS 108 22.222 29.854 -10.602 866 H HIS 109 HN HIS 109 24.445 23.160 -10.368 867 HA HIS 109 HA HIS 109 26.985 24.144 -9.362 868 HB2 HIS 109 HB2 HIS 109 26.605 21.761 -9.863 869 HB3 HIS 109 HB1 HIS 109 26.350 22.155 -11.562 870 HD1 HIS 109 HD1 HIS 109 29.064 22.762 -8.946 871 HD2 HIS 109 HD2 HIS 109 28.682 21.913 -13.009 872 HE1 HIS 109 HE1 HIS 109 31.417 22.553 -9.858 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -16.736 8.970 -10.085 2 H2 MET 1 HT2 MET 1 -16.136 7.845 -8.962 3 H3 MET 1 HT3 MET 1 -17.717 7.689 -9.562 4 HA MET 1 HA MET 1 -16.773 6.188 -10.932 5 HB2 MET 1 HB2 MET 1 -17.484 8.127 -12.348 6 HB3 MET 1 HB1 MET 1 -15.837 8.751 -12.258 7 HG2 MET 1 HG2 MET 1 -14.980 6.710 -13.318 8 HG3 MET 1 HG1 MET 1 -16.610 6.038 -13.369 9 HE1 MET 1 HE1 MET 1 -14.740 6.421 -16.104 10 HE2 MET 1 HE2 MET 1 -16.201 6.647 -17.063 11 HE3 MET 1 HE3 MET 1 -16.213 5.524 -15.706 12 H GLU 2 HN GLU 2 -14.443 8.693 -10.022 13 HA GLU 2 HA GLU 2 -12.143 7.232 -10.934 14 HB2 GLU 2 HB2 GLU 2 -12.637 9.634 -9.213 15 HB3 GLU 2 HB1 GLU 2 -11.047 8.885 -9.117 16 HG2 GLU 2 HG2 GLU 2 -11.134 10.685 -10.835 17 HG3 GLU 2 HG1 GLU 2 -10.758 9.111 -11.538 18 HA PRO 3 HA PRO 3 -11.413 4.195 -7.775 19 HB2 PRO 3 HB2 PRO 3 -8.777 5.509 -7.199 20 HB3 PRO 3 HB1 PRO 3 -9.129 3.811 -7.575 21 HG2 PRO 3 HG2 PRO 3 -8.046 5.455 -9.381 22 HG3 PRO 3 HG1 PRO 3 -9.201 4.191 -9.840 23 HD2 PRO 3 HD2 PRO 3 -9.610 7.145 -9.695 24 HD3 PRO 3 HD1 PRO 3 -10.393 5.935 -10.734 25 H GLN 4 HN GLN 4 -11.743 3.984 -5.558 26 HA GLN 4 HA GLN 4 -12.391 6.390 -4.055 27 HB2 GLN 4 HB2 GLN 4 -13.458 4.000 -3.920 28 HB3 GLN 4 HB1 GLN 4 -12.119 3.639 -2.834 29 HG2 GLN 4 HG2 GLN 4 -14.040 5.960 -2.465 30 HG3 GLN 4 HG1 GLN 4 -14.170 4.411 -1.630 31 HE21 GLN 4 HE21 GLN 4 -12.971 7.501 -1.226 32 HE22 GLN 4 HE22 GLN 4 -11.749 7.175 -0.093 33 H LEU 5 HN LEU 5 -10.066 7.191 -4.393 34 HA LEU 5 HA LEU 5 -7.915 5.965 -2.906 35 HB2 LEU 5 HB2 LEU 5 -8.207 8.848 -3.800 36 HB3 LEU 5 HB1 LEU 5 -6.703 8.030 -3.378 37 HG LEU 5 HG LEU 5 -8.540 7.258 -5.663 38 HD11 LEU 5 HD11 LEU 5 -6.899 8.204 -7.124 39 HD12 LEU 5 HD12 LEU 5 -5.752 8.424 -5.803 40 HD13 LEU 5 HD13 LEU 5 -7.207 9.418 -5.882 41 HD21 LEU 5 HD21 LEU 5 -6.354 5.907 -6.246 42 HD22 LEU 5 HD22 LEU 5 -7.476 5.252 -5.059 43 HD23 LEU 5 HD23 LEU 5 -6.010 6.070 -4.522 44 H THR 6 HN THR 6 -7.129 6.472 -0.867 45 HA THR 6 HA THR 6 -8.799 8.296 0.837 46 HB THR 6 HB THR 6 -7.543 5.637 1.586 47 HG1 THR 6 HG1 THR 6 -9.499 5.504 0.430 48 HG21 THR 6 HG21 THR 6 -7.367 7.130 3.468 49 HG22 THR 6 HG22 THR 6 -8.743 6.069 3.767 50 HG23 THR 6 HG23 THR 6 -9.009 7.724 3.219 51 H LYS 7 HN LYS 7 -7.637 9.798 1.933 52 HA LYS 7 HA LYS 7 -4.792 10.042 1.406 53 HB2 LYS 7 HB2 LYS 7 -6.669 11.613 3.187 54 HB3 LYS 7 HB1 LYS 7 -4.989 12.051 2.881 55 HG2 LYS 7 HG2 LYS 7 -5.422 12.258 0.495 56 HG3 LYS 7 HG1 LYS 7 -7.071 11.678 0.714 57 HD2 LYS 7 HD2 LYS 7 -7.306 14.028 0.600 58 HD3 LYS 7 HD1 LYS 7 -7.374 13.673 2.324 59 HE2 LYS 7 HE2 LYS 7 -5.076 14.347 2.629 60 HE3 LYS 7 HE1 LYS 7 -4.823 14.467 0.888 61 HZ1 LYS 7 HZ1 LYS 7 -7.042 16.028 1.621 62 HZ2 LYS 7 HZ2 LYS 7 -5.571 16.528 0.931 63 HZ3 LYS 7 HZ3 LYS 7 -5.734 16.438 2.620 64 H ILE 8 HN ILE 8 -3.108 10.031 2.962 65 HA ILE 8 HA ILE 8 -3.210 7.920 4.888 66 HB ILE 8 HB ILE 8 -1.280 10.238 4.555 67 HG12 ILE 8 HG12 ILE 8 -0.961 7.310 3.836 68 HG13 ILE 8 HG11 ILE 8 -1.536 8.525 2.694 69 HG21 ILE 8 HG21 ILE 8 -0.986 9.497 6.800 70 HG22 ILE 8 HG22 ILE 8 0.259 8.660 5.876 71 HG23 ILE 8 HG23 ILE 8 -1.208 7.807 6.353 72 HD11 ILE 8 HD11 ILE 8 0.854 8.283 2.386 73 HD12 ILE 8 HD12 ILE 8 1.140 8.493 4.113 74 HD13 ILE 8 HD13 ILE 8 0.555 9.846 3.146 75 H VAL 9 HN VAL 9 -3.382 11.454 5.233 76 HA VAL 9 HA VAL 9 -3.513 11.502 8.089 77 HB VAL 9 HB VAL 9 -3.072 13.478 6.593 78 HG11 VAL 9 HG11 VAL 9 -5.055 12.842 5.071 79 HG12 VAL 9 HG12 VAL 9 -4.830 14.553 5.427 80 HG13 VAL 9 HG13 VAL 9 -6.072 13.631 6.275 81 HG21 VAL 9 HG21 VAL 9 -4.281 15.076 8.010 82 HG22 VAL 9 HG22 VAL 9 -3.676 13.739 8.987 83 HG23 VAL 9 HG23 VAL 9 -5.381 13.803 8.537 84 H ASP 10 HN ASP 10 -5.892 10.748 5.656 85 HA ASP 10 HA ASP 10 -8.184 11.151 7.433 86 HB2 ASP 10 HB2 ASP 10 -7.888 9.786 4.744 87 HB3 ASP 10 HB1 ASP 10 -9.423 9.924 5.600 88 H ILE 11 HN ILE 11 -5.769 8.845 7.329 89 HA ILE 11 HA ILE 11 -7.450 6.508 7.879 90 HB ILE 11 HB ILE 11 -4.465 6.939 8.185 91 HG12 ILE 11 HG12 ILE 11 -6.028 5.384 6.101 92 HG13 ILE 11 HG11 ILE 11 -5.447 7.031 5.858 93 HG21 ILE 11 HG21 ILE 11 -4.484 4.383 8.215 94 HG22 ILE 11 HG22 ILE 11 -6.221 4.489 8.497 95 HG23 ILE 11 HG23 ILE 11 -5.093 5.165 9.673 96 HD11 ILE 11 HD11 ILE 11 -3.796 4.538 6.315 97 HD12 ILE 11 HD12 ILE 11 -3.121 6.162 6.438 98 HD13 ILE 11 HD13 ILE 11 -3.786 5.596 4.905 99 H VAL 12 HN VAL 12 -8.403 6.203 9.789 100 HA VAL 12 HA VAL 12 -6.930 6.738 12.290 101 HB VAL 12 HB VAL 12 -8.922 7.982 13.234 102 HG11 VAL 12 HG11 VAL 12 -7.665 9.385 10.862 103 HG12 VAL 12 HG12 VAL 12 -6.797 9.077 12.365 104 HG13 VAL 12 HG13 VAL 12 -8.223 10.111 12.369 105 HG21 VAL 12 HG21 VAL 12 -9.658 8.167 10.295 106 HG22 VAL 12 HG22 VAL 12 -10.467 9.016 11.613 107 HG23 VAL 12 HG23 VAL 12 -10.547 7.257 11.513 108 H GLU 13 HN GLU 13 -8.482 4.597 10.525 109 HA GLU 13 HA GLU 13 -9.688 3.240 12.901 110 HB2 GLU 13 HB2 GLU 13 -11.496 4.347 11.537 111 HB3 GLU 13 HB1 GLU 13 -11.005 3.347 10.169 112 HG2 GLU 13 HG2 GLU 13 -12.852 2.236 11.255 113 HG3 GLU 13 HG1 GLU 13 -11.395 1.315 11.623 114 H ASN 14 HN ASN 14 -9.297 1.054 12.947 115 HA ASN 14 HA ASN 14 -7.393 -0.007 10.962 116 HB2 ASN 14 HB2 ASN 14 -7.184 -1.893 12.499 117 HB3 ASN 14 HB1 ASN 14 -7.088 -0.386 13.412 118 HD21 ASN 14 HD21 ASN 14 -7.872 -2.735 14.759 119 HD22 ASN 14 HD22 ASN 14 -9.519 -2.634 15.158 120 H GLY 15 HN GLY 15 -7.782 -2.021 9.822 121 HA2 GLY 15 HA2 GLY 15 -9.110 -3.625 8.713 122 HA3 GLY 15 HA1 GLY 15 -10.413 -3.254 9.845 123 H GLN 16 HN GLN 16 -9.335 -0.378 8.577 124 HA GLN 16 HA GLN 16 -11.747 -0.015 7.026 125 HB2 GLN 16 HB2 GLN 16 -10.693 1.866 8.190 126 HB3 GLN 16 HB1 GLN 16 -9.245 1.684 7.199 127 HG2 GLN 16 HG2 GLN 16 -10.414 2.307 5.210 128 HG3 GLN 16 HG1 GLN 16 -11.982 2.182 6.012 129 HE21 GLN 16 HE21 GLN 16 -9.766 4.453 4.995 130 HE22 GLN 16 HE22 GLN 16 -10.129 5.701 6.085 131 H TRP 17 HN TRP 17 -12.071 -0.459 4.917 132 HA TRP 17 HA TRP 17 -9.764 -1.401 3.287 133 HB2 TRP 17 HB2 TRP 17 -12.763 -1.625 2.910 134 HB3 TRP 17 HB1 TRP 17 -11.573 -2.234 1.759 135 HD1 TRP 17 HD1 TRP 17 -12.906 -2.813 5.291 136 HE1 TRP 17 HE1 TRP 17 -12.162 -5.152 6.080 137 HE3 TRP 17 HE3 TRP 17 -9.815 -4.099 1.438 138 HZ2 TRP 17 HZ2 TRP 17 -10.478 -7.287 5.191 139 HZ3 TRP 17 HZ3 TRP 17 -8.654 -6.288 1.432 140 HH2 TRP 17 HH2 TRP 17 -8.982 -7.883 3.303 141 H ALA 18 HN ALA 18 -9.133 -0.324 1.432 142 HA ALA 18 HA ALA 18 -10.767 1.515 -0.020 143 HB1 ALA 18 HB1 ALA 18 -8.979 2.707 2.105 144 HB2 ALA 18 HB2 ALA 18 -10.677 3.062 1.777 145 HB3 ALA 18 HB3 ALA 18 -9.428 3.613 0.663 146 H ASN 19 HN ASN 19 -9.144 3.101 -1.313 147 HA ASN 19 HA ASN 19 -6.909 1.348 -2.284 148 HB2 ASN 19 HB2 ASN 19 -8.504 3.522 -3.671 149 HB3 ASN 19 HB1 ASN 19 -7.139 2.671 -4.393 150 HD21 ASN 19 HD21 ASN 19 -9.580 2.404 -5.687 151 HD22 ASN 19 HD22 ASN 19 -10.219 0.854 -5.428 152 H LEU 20 HN LEU 20 -4.844 2.295 -2.557 153 HA LEU 20 HA LEU 20 -4.525 5.165 -1.827 154 HB2 LEU 20 HB2 LEU 20 -4.290 3.659 0.237 155 HB3 LEU 20 HB1 LEU 20 -2.837 3.018 -0.519 156 HG LEU 20 HG LEU 20 -3.272 5.989 -0.056 157 HD11 LEU 20 HD11 LEU 20 -1.995 5.820 1.973 158 HD12 LEU 20 HD12 LEU 20 -1.671 4.111 1.693 159 HD13 LEU 20 HD13 LEU 20 -3.304 4.645 2.085 160 HD21 LEU 20 HD21 LEU 20 -0.601 5.687 -0.054 161 HD22 LEU 20 HD22 LEU 20 -1.500 5.883 -1.549 162 HD23 LEU 20 HD23 LEU 20 -1.000 4.276 -1.034 163 H LYS 21 HN LYS 21 -3.186 6.071 -3.276 164 HA LYS 21 HA LYS 21 -1.262 4.327 -4.784 165 HB2 LYS 21 HB2 LYS 21 -2.993 5.410 -6.184 166 HB3 LYS 21 HB1 LYS 21 -2.494 6.984 -5.565 167 HG2 LYS 21 HG2 LYS 21 -0.301 6.759 -6.539 168 HG3 LYS 21 HG1 LYS 21 -0.610 5.080 -6.975 169 HD2 LYS 21 HD2 LYS 21 -0.872 6.451 -8.958 170 HD3 LYS 21 HD1 LYS 21 -2.459 5.859 -8.471 171 HE2 LYS 21 HE2 LYS 21 -3.095 7.961 -7.585 172 HE3 LYS 21 HE1 LYS 21 -1.431 8.546 -7.549 173 HZ1 LYS 21 HZ1 LYS 21 -3.122 9.162 -9.475 174 HZ2 LYS 21 HZ2 LYS 21 -2.490 7.731 -10.137 175 HZ3 LYS 21 HZ3 LYS 21 -1.454 9.018 -9.743 176 H ALA 22 HN ALA 22 0.896 4.824 -4.595 177 HA ALA 22 HA ALA 22 1.789 7.508 -3.882 178 HB1 ALA 22 HB1 ALA 22 1.906 5.278 -1.836 179 HB2 ALA 22 HB2 ALA 22 1.156 6.865 -1.654 180 HB3 ALA 22 HB3 ALA 22 2.912 6.722 -1.742 181 H LYS 23 HN LYS 23 4.293 7.381 -3.404 182 HA LYS 23 HA LYS 23 5.453 5.362 -5.299 183 HB2 LYS 23 HB2 LYS 23 7.352 7.004 -5.476 184 HB3 LYS 23 HB1 LYS 23 5.812 7.609 -6.090 185 HG2 LYS 23 HG2 LYS 23 5.444 8.956 -4.176 186 HG3 LYS 23 HG1 LYS 23 6.682 8.117 -3.243 187 HD2 LYS 23 HD2 LYS 23 7.546 10.281 -3.970 188 HD3 LYS 23 HD1 LYS 23 8.411 8.991 -4.807 189 HE2 LYS 23 HE2 LYS 23 7.180 9.337 -6.821 190 HE3 LYS 23 HE1 LYS 23 5.996 10.357 -6.004 191 HZ1 LYS 23 HZ1 LYS 23 8.820 11.142 -5.949 192 HZ2 LYS 23 HZ2 LYS 23 7.427 12.115 -5.919 193 HZ3 LYS 23 HZ3 LYS 23 7.936 11.399 -7.374 194 H VAL 24 HN VAL 24 7.323 4.250 -4.711 195 HA VAL 24 HA VAL 24 7.623 3.880 -1.810 196 HB VAL 24 HB VAL 24 9.016 2.558 -4.157 197 HG11 VAL 24 HG11 VAL 24 10.408 2.352 -2.192 198 HG12 VAL 24 HG12 VAL 24 9.568 0.817 -2.409 199 HG13 VAL 24 HG13 VAL 24 9.016 1.960 -1.184 200 HG21 VAL 24 HG21 VAL 24 6.477 2.266 -3.834 201 HG22 VAL 24 HG22 VAL 24 6.882 1.411 -2.345 202 HG23 VAL 24 HG23 VAL 24 7.441 0.792 -3.897 203 H ILE 25 HN ILE 25 9.187 4.798 -0.590 204 HA ILE 25 HA ILE 25 11.308 6.397 -1.945 205 HB ILE 25 HB ILE 25 10.389 6.261 0.944 206 HG12 ILE 25 HG12 ILE 25 10.234 8.546 -1.038 207 HG13 ILE 25 HG11 ILE 25 8.913 7.406 -0.781 208 HG21 ILE 25 HG21 ILE 25 11.897 8.332 1.118 209 HG22 ILE 25 HG22 ILE 25 12.620 7.795 -0.399 210 HG23 ILE 25 HG23 ILE 25 12.712 6.770 1.032 211 HD11 ILE 25 HD11 ILE 25 10.163 8.872 1.544 212 HD12 ILE 25 HD12 ILE 25 8.574 8.111 1.444 213 HD13 ILE 25 HD13 ILE 25 8.888 9.615 0.579 214 H GLN 26 HN GLN 26 11.001 4.044 0.740 215 HA GLN 26 HA GLN 26 13.502 2.758 -0.152 216 HB2 GLN 26 HB2 GLN 26 14.209 4.538 1.445 217 HB3 GLN 26 HB1 GLN 26 13.159 3.825 2.669 218 HG2 GLN 26 HG2 GLN 26 15.440 3.040 3.003 219 HG3 GLN 26 HG1 GLN 26 14.443 1.689 2.475 220 HE21 GLN 26 HE21 GLN 26 15.948 0.457 1.267 221 HE22 GLN 26 HE22 GLN 26 16.819 1.061 -0.058 222 H LEU 27 HN LEU 27 13.622 0.616 0.474 223 HA LEU 27 HA LEU 27 11.572 -0.487 2.301 224 HB2 LEU 27 HB2 LEU 27 10.808 -2.153 0.731 225 HB3 LEU 27 HB1 LEU 27 10.650 -0.583 -0.051 226 HG LEU 27 HG LEU 27 12.908 -2.574 -0.481 227 HD11 LEU 27 HD11 LEU 27 10.566 -1.674 -2.170 228 HD12 LEU 27 HD12 LEU 27 10.903 -3.303 -1.583 229 HD13 LEU 27 HD13 LEU 27 11.937 -2.576 -2.813 230 HD21 LEU 27 HD21 LEU 27 12.473 0.273 -1.380 231 HD22 LEU 27 HD22 LEU 27 13.338 -0.846 -2.430 232 HD23 LEU 27 HD23 LEU 27 13.953 -0.498 -0.818 233 H TRP 28 HN TRP 28 12.298 -2.275 3.419 234 HA TRP 28 HA TRP 28 15.086 -3.202 2.783 235 HB2 TRP 28 HB2 TRP 28 14.871 -1.958 4.928 236 HB3 TRP 28 HB1 TRP 28 13.677 -3.140 5.468 237 HD1 TRP 28 HD1 TRP 28 17.292 -3.186 4.075 238 HE1 TRP 28 HE1 TRP 28 18.598 -5.033 5.312 239 HE3 TRP 28 HE3 TRP 28 13.587 -5.026 7.065 240 HZ2 TRP 28 HZ2 TRP 28 18.130 -7.026 7.311 241 HZ3 TRP 28 HZ3 TRP 28 14.043 -6.895 8.626 242 HH2 TRP 28 HH2 TRP 28 16.307 -7.898 8.753 243 H GLU 29 HN GLU 29 15.210 -5.293 2.180 244 HA GLU 29 HA GLU 29 12.888 -6.992 2.098 245 HB2 GLU 29 HB2 GLU 29 15.834 -7.572 1.709 246 HB3 GLU 29 HB1 GLU 29 14.560 -8.759 1.428 247 HG2 GLU 29 HG2 GLU 29 13.543 -7.320 -0.260 248 HG3 GLU 29 HG1 GLU 29 14.725 -6.053 0.068 249 H ASN 30 HN ASN 30 12.304 -8.712 3.434 250 HA ASN 30 HA ASN 30 14.074 -9.556 5.619 251 HB2 ASN 30 HB2 ASN 30 12.627 -8.906 7.437 252 HB3 ASN 30 HB1 ASN 30 12.939 -7.462 6.475 253 HD21 ASN 30 HD21 ASN 30 10.463 -9.079 7.997 254 HD22 ASN 30 HD22 ASN 30 9.158 -8.554 7.049 255 H THR 31 HN THR 31 13.842 -11.722 5.482 256 HA THR 31 HA THR 31 11.194 -12.866 4.702 257 HB THR 31 HB THR 31 12.774 -13.860 3.316 258 HG1 THR 31 HG1 THR 31 13.477 -15.866 4.594 259 HG21 THR 31 HG21 THR 31 15.061 -14.567 4.271 260 HG22 THR 31 HG22 THR 31 14.649 -13.558 5.658 261 HG23 THR 31 HG23 THR 31 14.773 -12.840 4.052 262 H HIS 32 HN HIS 32 10.806 -12.017 7.107 263 HA HIS 32 HA HIS 32 11.805 -13.516 9.318 264 HB2 HIS 32 HB2 HIS 32 10.573 -11.376 9.536 265 HB3 HIS 32 HB1 HIS 32 9.102 -12.174 8.981 266 HD1 HIS 32 HD1 HIS 32 8.324 -14.284 10.550 267 HD2 HIS 32 HD2 HIS 32 10.949 -11.541 12.270 268 HE1 HIS 32 HE1 HIS 32 8.165 -14.616 13.056 269 H GLU 33 HN GLU 33 8.821 -13.921 7.413 270 HA GLU 33 HA GLU 33 8.918 -16.772 7.494 271 HB2 GLU 33 HB2 GLU 33 8.226 -16.017 9.931 272 HB3 GLU 33 HB1 GLU 33 6.654 -15.713 9.201 273 HG2 GLU 33 HG2 GLU 33 8.155 -18.337 9.028 274 HG3 GLU 33 HG1 GLU 33 6.838 -18.003 10.150 275 H SER 34 HN SER 34 6.124 -14.589 7.872 276 HA SER 34 HA SER 34 5.185 -15.417 5.149 277 HB2 SER 34 HB2 SER 34 3.637 -15.920 6.990 278 HB3 SER 34 HB1 SER 34 3.676 -14.234 7.499 279 HG SER 34 HG SER 34 2.432 -15.437 5.320 280 H ILE 35 HN ILE 35 6.930 -13.001 6.442 281 HA ILE 35 HA ILE 35 5.516 -10.793 5.003 282 HB ILE 35 HB ILE 35 7.843 -10.706 6.946 283 HG12 ILE 35 HG12 ILE 35 4.968 -9.825 7.338 284 HG13 ILE 35 HG11 ILE 35 5.575 -11.398 7.858 285 HG21 ILE 35 HG21 ILE 35 7.173 -8.230 6.955 286 HG22 ILE 35 HG22 ILE 35 6.253 -8.581 5.492 287 HG23 ILE 35 HG23 ILE 35 8.002 -8.807 5.509 288 HD11 ILE 35 HD11 ILE 35 5.634 -9.755 9.707 289 HD12 ILE 35 HD12 ILE 35 6.682 -8.716 8.742 290 HD13 ILE 35 HD13 ILE 35 7.256 -10.296 9.276 291 H SER 36 HN SER 36 6.290 -10.109 3.096 292 HA SER 36 HA SER 36 8.742 -11.329 2.009 293 HB2 SER 36 HB2 SER 36 6.760 -11.168 0.577 294 HB3 SER 36 HB1 SER 36 6.721 -9.420 0.793 295 HG SER 36 HG SER 36 8.183 -9.262 -0.698 296 H GLN 37 HN GLN 37 7.566 -7.951 1.872 297 HA GLN 37 HA GLN 37 10.314 -7.030 2.654 298 HB2 GLN 37 HB2 GLN 37 8.592 -5.987 0.384 299 HB3 GLN 37 HB1 GLN 37 10.096 -5.246 0.932 300 HG2 GLN 37 HG2 GLN 37 11.310 -7.332 0.418 301 HG3 GLN 37 HG1 GLN 37 9.809 -8.068 -0.136 302 HE21 GLN 37 HE21 GLN 37 12.380 -7.282 -1.636 303 HE22 GLN 37 HE22 GLN 37 11.828 -6.347 -2.939 304 H VAL 38 HN VAL 38 10.344 -4.945 3.641 305 HA VAL 38 HA VAL 38 7.688 -3.865 4.513 306 HB VAL 38 HB VAL 38 8.796 -3.403 6.739 307 HG11 VAL 38 HG11 VAL 38 7.244 -5.239 6.560 308 HG12 VAL 38 HG12 VAL 38 8.635 -5.816 7.479 309 HG13 VAL 38 HG13 VAL 38 8.455 -6.255 5.780 310 HG21 VAL 38 HG21 VAL 38 11.135 -3.604 6.020 311 HG22 VAL 38 HG22 VAL 38 10.876 -5.292 5.580 312 HG23 VAL 38 HG23 VAL 38 10.794 -4.799 7.270 313 H GLY 39 HN GLY 39 7.563 -1.653 4.334 314 HA2 GLY 39 HA2 GLY 39 9.919 0.034 4.446 315 HA3 GLY 39 HA1 GLY 39 9.357 -0.195 2.793 316 H LEU 40 HN LEU 40 9.026 2.168 2.929 317 HA LEU 40 HA LEU 40 6.298 2.767 3.994 318 HB2 LEU 40 HB2 LEU 40 7.302 5.176 4.320 319 HB3 LEU 40 HB1 LEU 40 7.504 3.967 5.577 320 HG LEU 40 HG LEU 40 9.588 5.244 5.043 321 HD11 LEU 40 HD11 LEU 40 10.430 2.546 4.213 322 HD12 LEU 40 HD12 LEU 40 9.333 2.530 5.591 323 HD13 LEU 40 HD13 LEU 40 10.822 3.461 5.666 324 HD21 LEU 40 HD21 LEU 40 10.675 5.066 2.960 325 HD22 LEU 40 HD22 LEU 40 8.983 5.305 2.536 326 HD23 LEU 40 HD23 LEU 40 9.691 3.694 2.455 327 H LEU 41 HN LEU 41 5.261 4.601 2.874 328 HA LEU 41 HA LEU 41 6.211 4.845 0.030 329 HB2 LEU 41 HB2 LEU 41 3.349 4.878 1.036 330 HB3 LEU 41 HB1 LEU 41 3.880 4.905 -0.644 331 HG LEU 41 HG LEU 41 4.392 2.651 1.311 332 HD11 LEU 41 HD11 LEU 41 2.834 1.417 -0.276 333 HD12 LEU 41 HD12 LEU 41 2.420 2.990 -0.957 334 HD13 LEU 41 HD13 LEU 41 2.066 2.643 0.735 335 HD21 LEU 41 HD21 LEU 41 6.173 2.547 -0.223 336 HD22 LEU 41 HD22 LEU 41 5.190 3.159 -1.555 337 HD23 LEU 41 HD23 LEU 41 4.970 1.506 -0.981 338 H GLY 42 HN GLY 42 6.450 6.887 -0.718 339 HA2 GLY 42 HA2 GLY 42 5.985 9.120 1.140 340 HA3 GLY 42 HA1 GLY 42 6.813 9.218 -0.414 341 H ASP 43 HN ASP 43 4.474 10.750 0.848 342 HA ASP 43 HA ASP 43 2.866 10.832 -1.626 343 HB2 ASP 43 HB2 ASP 43 1.784 9.145 -0.059 344 HB3 ASP 43 HB1 ASP 43 1.485 10.488 1.045 345 H GLU 44 HN GLU 44 1.378 12.719 -1.599 346 HA GLU 44 HA GLU 44 2.710 15.091 -0.709 347 HB2 GLU 44 HB2 GLU 44 1.151 15.005 -2.644 348 HB3 GLU 44 HB1 GLU 44 -0.188 14.736 -1.530 349 HG2 GLU 44 HG2 GLU 44 0.219 16.894 -0.460 350 HG3 GLU 44 HG1 GLU 44 1.629 17.163 -1.487 351 H THR 45 HN THR 45 0.477 12.964 0.876 352 HA THR 45 HA THR 45 -0.265 15.009 2.892 353 HB THR 45 HB THR 45 -1.751 13.311 3.777 354 HG1 THR 45 HG1 THR 45 0.051 11.686 2.702 355 HG21 THR 45 HG21 THR 45 -3.106 12.854 1.767 356 HG22 THR 45 HG22 THR 45 -1.730 13.266 0.746 357 HG23 THR 45 HG23 THR 45 -2.485 14.505 1.749 358 H GLY 46 HN GLY 46 2.203 12.681 2.439 359 HA2 GLY 46 HA2 GLY 46 3.881 13.171 4.445 360 HA3 GLY 46 HA1 GLY 46 2.632 12.336 5.368 361 H ILE 47 HN ILE 47 4.166 10.677 5.867 362 HA ILE 47 HA ILE 47 4.677 8.753 3.615 363 HB ILE 47 HB ILE 47 6.420 9.332 6.035 364 HG12 ILE 47 HG12 ILE 47 7.046 9.739 3.105 365 HG13 ILE 47 HG11 ILE 47 6.410 11.025 4.128 366 HG21 ILE 47 HG21 ILE 47 6.594 7.323 3.794 367 HG22 ILE 47 HG22 ILE 47 6.614 7.023 5.533 368 HG23 ILE 47 HG23 ILE 47 7.999 7.791 4.757 369 HD11 ILE 47 HD11 ILE 47 8.877 9.450 4.879 370 HD12 ILE 47 HD12 ILE 47 8.326 10.993 5.534 371 HD13 ILE 47 HD13 ILE 47 8.959 10.909 3.890 372 H ILE 48 HN ILE 48 4.021 6.651 4.035 373 HA ILE 48 HA ILE 48 3.130 6.001 6.834 374 HB ILE 48 HB ILE 48 1.168 6.498 5.424 375 HG12 ILE 48 HG12 ILE 48 1.406 3.512 5.868 376 HG13 ILE 48 HG11 ILE 48 1.210 4.660 7.192 377 HG21 ILE 48 HG21 ILE 48 2.285 5.851 3.264 378 HG22 ILE 48 HG22 ILE 48 0.672 5.166 3.464 379 HG23 ILE 48 HG23 ILE 48 2.097 4.162 3.732 380 HD11 ILE 48 HD11 ILE 48 -0.870 5.503 6.093 381 HD12 ILE 48 HD12 ILE 48 -0.980 3.805 6.555 382 HD13 ILE 48 HD13 ILE 48 -0.695 4.243 4.871 383 H LYS 49 HN LYS 49 3.338 3.827 7.448 384 HA LYS 49 HA LYS 49 5.458 2.361 6.048 385 HB2 LYS 49 HB2 LYS 49 4.024 2.118 8.674 386 HB3 LYS 49 HB1 LYS 49 4.876 0.706 8.054 387 HG2 LYS 49 HG2 LYS 49 6.372 1.974 9.500 388 HG3 LYS 49 HG1 LYS 49 6.943 2.096 7.835 389 HD2 LYS 49 HD2 LYS 49 5.911 4.292 7.598 390 HD3 LYS 49 HD1 LYS 49 5.209 4.169 9.212 391 HE2 LYS 49 HE2 LYS 49 7.468 4.069 10.191 392 HE3 LYS 49 HE1 LYS 49 8.174 4.179 8.578 393 HZ1 LYS 49 HZ1 LYS 49 6.327 6.251 8.851 394 HZ2 LYS 49 HZ2 LYS 49 8.016 6.367 8.709 395 HZ3 LYS 49 HZ3 LYS 49 7.295 6.259 10.243 396 H PHE 50 HN PHE 50 5.221 0.185 5.245 397 HA PHE 50 HA PHE 50 2.449 -0.865 4.997 398 HB2 PHE 50 HB2 PHE 50 2.490 -1.056 2.633 399 HB3 PHE 50 HB1 PHE 50 3.071 0.576 2.939 400 HD1 PHE 50 HD1 PHE 50 5.469 1.117 2.677 401 HD2 PHE 50 HD2 PHE 50 3.951 -2.785 1.774 402 HE1 PHE 50 HE1 PHE 50 7.560 0.598 1.450 403 HE2 PHE 50 HE2 PHE 50 6.039 -3.313 0.544 404 HZ PHE 50 HZ PHE 50 7.844 -1.622 0.382 405 H THR 51 HN THR 51 2.403 -3.125 4.706 406 HA THR 51 HA THR 51 5.040 -4.550 4.762 407 HB THR 51 HB THR 51 2.611 -5.156 6.480 408 HG1 THR 51 HG1 THR 51 4.813 -3.614 6.818 409 HG21 THR 51 HG21 THR 51 5.279 -6.526 6.105 410 HG22 THR 51 HG22 THR 51 3.668 -7.220 5.911 411 HG23 THR 51 HG23 THR 51 4.259 -6.800 7.519 412 H ILE 52 HN ILE 52 5.112 -6.155 3.260 413 HA ILE 52 HA ILE 52 2.592 -6.825 1.818 414 HB ILE 52 HB ILE 52 5.515 -7.243 1.159 415 HG12 ILE 52 HG12 ILE 52 3.380 -5.658 -0.286 416 HG13 ILE 52 HG11 ILE 52 4.422 -4.952 0.948 417 HG21 ILE 52 HG21 ILE 52 4.512 -7.984 -1.103 418 HG22 ILE 52 HG22 ILE 52 3.012 -8.245 -0.213 419 HG23 ILE 52 HG23 ILE 52 4.463 -9.157 0.216 420 HD11 ILE 52 HD11 ILE 52 5.458 -6.378 -1.516 421 HD12 ILE 52 HD12 ILE 52 6.402 -5.458 -0.343 422 HD13 ILE 52 HD13 ILE 52 5.261 -4.629 -1.403 423 H TRP 53 HN TRP 53 1.608 -8.741 2.127 424 HA TRP 53 HA TRP 53 2.835 -10.715 3.918 425 HB2 TRP 53 HB2 TRP 53 0.194 -10.568 2.440 426 HB3 TRP 53 HB1 TRP 53 0.678 -11.994 3.360 427 HD1 TRP 53 HD1 TRP 53 -0.348 -8.347 3.786 428 HE1 TRP 53 HE1 TRP 53 -0.845 -7.907 6.277 429 HE3 TRP 53 HE3 TRP 53 1.236 -12.765 5.790 430 HZ2 TRP 53 HZ2 TRP 53 -0.602 -9.256 8.789 431 HZ3 TRP 53 HZ3 TRP 53 1.093 -13.163 8.232 432 HH2 TRP 53 HH2 TRP 53 0.176 -11.415 9.733 433 H LYS 54 HN LYS 54 4.194 -12.239 3.164 434 HA LYS 54 HA LYS 54 4.787 -12.580 0.401 435 HB2 LYS 54 HB2 LYS 54 6.136 -13.268 2.558 436 HB3 LYS 54 HB1 LYS 54 5.258 -14.789 2.409 437 HG2 LYS 54 HG2 LYS 54 6.096 -15.067 0.120 438 HG3 LYS 54 HG1 LYS 54 6.926 -13.519 0.216 439 HD2 LYS 54 HD2 LYS 54 8.294 -14.349 2.094 440 HD3 LYS 54 HD1 LYS 54 7.479 -15.911 1.996 441 HE2 LYS 54 HE2 LYS 54 8.307 -16.210 -0.304 442 HE3 LYS 54 HE1 LYS 54 9.107 -14.641 -0.225 443 HZ1 LYS 54 HZ1 LYS 54 9.710 -16.506 1.923 444 HZ2 LYS 54 HZ2 LYS 54 10.733 -15.430 1.096 445 HZ3 LYS 54 HZ3 LYS 54 10.313 -16.917 0.392 446 H ASN 55 HN ASN 55 2.546 -14.224 2.559 447 HA ASN 55 HA ASN 55 1.878 -16.468 0.975 448 HB2 ASN 55 HB2 ASN 55 1.053 -16.155 3.271 449 HB3 ASN 55 HB1 ASN 55 0.075 -14.785 2.744 450 HD21 ASN 55 HD21 ASN 55 0.466 -18.320 2.319 451 HD22 ASN 55 HD22 ASN 55 -1.134 -18.597 1.824 452 H ALA 56 HN ALA 56 1.578 -13.213 0.175 453 HA ALA 56 HA ALA 56 -0.817 -13.535 -1.530 454 HB1 ALA 56 HB1 ALA 56 -0.632 -11.203 -1.945 455 HB2 ALA 56 HB2 ALA 56 1.077 -11.175 -1.516 456 HB3 ALA 56 HB3 ALA 56 -0.142 -11.384 -0.259 457 H GLU 57 HN GLU 57 2.650 -13.661 -1.733 458 HA GLU 57 HA GLU 57 4.107 -14.053 -3.530 459 HB2 GLU 57 HB2 GLU 57 1.597 -15.417 -4.552 460 HB3 GLU 57 HB1 GLU 57 3.201 -15.624 -5.252 461 HG2 GLU 57 HG2 GLU 57 2.493 -16.237 -2.367 462 HG3 GLU 57 HG1 GLU 57 2.615 -17.445 -3.647 463 H LEU 58 HN LEU 58 3.162 -11.490 -3.645 464 HA LEU 58 HA LEU 58 2.264 -11.057 -6.451 465 HB2 LEU 58 HB2 LEU 58 2.469 -9.090 -4.159 466 HB3 LEU 58 HB1 LEU 58 1.743 -8.773 -5.733 467 HG LEU 58 HG LEU 58 0.787 -10.931 -3.828 468 HD11 LEU 58 HD11 LEU 58 0.317 -8.857 -2.750 469 HD12 LEU 58 HD12 LEU 58 -1.179 -9.312 -3.564 470 HD13 LEU 58 HD13 LEU 58 -0.129 -8.084 -4.270 471 HD21 LEU 58 HD21 LEU 58 -1.301 -10.618 -5.367 472 HD22 LEU 58 HD22 LEU 58 0.061 -11.540 -5.992 473 HD23 LEU 58 HD23 LEU 58 -0.169 -9.864 -6.489 474 HA PRO 59 HA PRO 59 6.305 -9.793 -7.867 475 HB2 PRO 59 HB2 PRO 59 5.047 -7.257 -8.859 476 HB3 PRO 59 HB1 PRO 59 6.049 -8.435 -9.732 477 HG2 PRO 59 HG2 PRO 59 3.404 -8.314 -10.085 478 HG3 PRO 59 HG1 PRO 59 4.281 -9.855 -10.117 479 HD2 PRO 59 HD2 PRO 59 2.492 -8.755 -7.988 480 HD3 PRO 59 HD1 PRO 59 2.813 -10.440 -8.455 481 H LEU 60 HN LEU 60 8.040 -8.531 -7.147 482 HA LEU 60 HA LEU 60 7.668 -7.028 -4.701 483 HB2 LEU 60 HB2 LEU 60 10.115 -7.209 -6.487 484 HB3 LEU 60 HB1 LEU 60 10.091 -6.681 -4.804 485 HG LEU 60 HG LEU 60 9.283 -9.435 -5.791 486 HD11 LEU 60 HD11 LEU 60 11.682 -8.663 -4.113 487 HD12 LEU 60 HD12 LEU 60 11.755 -8.834 -5.867 488 HD13 LEU 60 HD13 LEU 60 11.346 -10.224 -4.861 489 HD21 LEU 60 HD21 LEU 60 9.248 -8.090 -3.090 490 HD22 LEU 60 HD22 LEU 60 9.518 -9.829 -3.192 491 HD23 LEU 60 HD23 LEU 60 8.033 -9.132 -3.829 492 H LEU 61 HN LEU 61 7.725 -4.827 -4.378 493 HA LEU 61 HA LEU 61 7.034 -3.150 -6.664 494 HB2 LEU 61 HB2 LEU 61 7.284 -2.724 -3.689 495 HB3 LEU 61 HB1 LEU 61 7.088 -1.346 -4.772 496 HG LEU 61 HG LEU 61 5.033 -2.374 -5.696 497 HD11 LEU 61 HD11 LEU 61 5.735 -4.534 -3.700 498 HD12 LEU 61 HD12 LEU 61 5.395 -4.707 -5.422 499 HD13 LEU 61 HD13 LEU 61 4.090 -4.323 -4.303 500 HD21 LEU 61 HD21 LEU 61 3.636 -2.135 -3.631 501 HD22 LEU 61 HD22 LEU 61 4.793 -0.819 -3.833 502 HD23 LEU 61 HD23 LEU 61 5.117 -2.108 -2.674 503 H GLU 62 HN GLU 62 8.262 -1.432 -7.503 504 HA GLU 62 HA GLU 62 11.180 -1.720 -7.161 505 HB2 GLU 62 HB2 GLU 62 10.135 -1.499 -9.425 506 HB3 GLU 62 HB1 GLU 62 9.611 0.125 -8.988 507 HG2 GLU 62 HG2 GLU 62 11.669 0.332 -10.232 508 HG3 GLU 62 HG1 GLU 62 12.033 0.701 -8.549 509 H GLN 63 HN GLN 63 12.540 -0.038 -6.444 510 HA GLN 63 HA GLN 63 11.305 1.808 -4.537 511 HB2 GLN 63 HB2 GLN 63 13.571 0.496 -4.345 512 HB3 GLN 63 HB1 GLN 63 14.232 1.829 -5.287 513 HG2 GLN 63 HG2 GLN 63 12.685 2.174 -2.696 514 HG3 GLN 63 HG1 GLN 63 14.443 2.162 -2.812 515 HE21 GLN 63 HE21 GLN 63 15.482 3.973 -3.958 516 HE22 GLN 63 HE22 GLN 63 14.642 5.421 -4.228 517 H GLY 64 HN GLY 64 10.752 3.893 -4.998 518 HA2 GLY 64 HA2 GLY 64 11.012 6.067 -5.943 519 HA3 GLY 64 HA1 GLY 64 12.290 5.439 -6.981 520 H GLU 65 HN GLU 65 9.099 3.952 -6.717 521 HA GLU 65 HA GLU 65 8.357 5.055 -9.395 522 HB2 GLU 65 HB2 GLU 65 8.392 2.126 -8.610 523 HB3 GLU 65 HB1 GLU 65 7.613 2.751 -10.063 524 HG2 GLU 65 HG2 GLU 65 10.549 3.119 -9.395 525 HG3 GLU 65 HG1 GLU 65 9.923 1.890 -10.494 526 H SER 66 HN SER 66 6.137 5.207 -9.758 527 HA SER 66 HA SER 66 4.490 5.371 -7.356 528 HB2 SER 66 HB2 SER 66 4.019 5.932 -10.277 529 HB3 SER 66 HB1 SER 66 2.693 5.967 -9.118 530 HG SER 66 HG SER 66 3.507 7.722 -8.227 531 H TYR 67 HN TYR 67 2.764 4.041 -6.804 532 HA TYR 67 HA TYR 67 2.147 1.718 -8.568 533 HB2 TYR 67 HB2 TYR 67 3.056 1.586 -5.684 534 HB3 TYR 67 HB1 TYR 67 2.114 0.292 -6.425 535 HD1 TYR 67 HD1 TYR 67 2.976 -0.652 -8.675 536 HD2 TYR 67 HD2 TYR 67 5.401 1.627 -5.961 537 HE1 TYR 67 HE1 TYR 67 5.018 -1.573 -9.731 538 HE2 TYR 67 HE2 TYR 67 7.447 0.703 -7.016 539 HH TYR 67 HH TYR 67 7.643 -0.535 -9.859 540 H LEU 68 HN LEU 68 0.030 1.086 -8.473 541 HA LEU 68 HA LEU 68 -1.792 2.751 -6.781 542 HB2 LEU 68 HB2 LEU 68 -2.323 2.938 -9.114 543 HB3 LEU 68 HB1 LEU 68 -2.183 1.206 -9.355 544 HG LEU 68 HG LEU 68 -4.186 0.796 -8.045 545 HD11 LEU 68 HD11 LEU 68 -5.491 2.853 -7.244 546 HD12 LEU 68 HD12 LEU 68 -3.995 3.757 -7.474 547 HD13 LEU 68 HD13 LEU 68 -4.054 2.431 -6.313 548 HD21 LEU 68 HD21 LEU 68 -4.416 2.996 -10.109 549 HD22 LEU 68 HD22 LEU 68 -5.833 2.242 -9.384 550 HD23 LEU 68 HD23 LEU 68 -4.701 1.270 -10.322 551 H LEU 69 HN LEU 69 -2.540 1.738 -5.009 552 HA LEU 69 HA LEU 69 -2.599 -1.256 -4.938 553 HB2 LEU 69 HB2 LEU 69 -2.728 0.746 -2.659 554 HB3 LEU 69 HB1 LEU 69 -2.567 -1.003 -2.513 555 HG LEU 69 HG LEU 69 -0.557 0.835 -3.846 556 HD11 LEU 69 HD11 LEU 69 -0.651 1.064 -1.379 557 HD12 LEU 69 HD12 LEU 69 0.862 0.327 -1.910 558 HD13 LEU 69 HD13 LEU 69 -0.414 -0.676 -1.220 559 HD21 LEU 69 HD21 LEU 69 -0.751 -2.157 -3.509 560 HD22 LEU 69 HD22 LEU 69 0.833 -1.386 -3.580 561 HD23 LEU 69 HD23 LEU 69 -0.284 -1.227 -4.932 562 H ARG 70 HN ARG 70 -4.575 -2.242 -4.917 563 HA ARG 70 HA ARG 70 -6.986 -0.569 -4.261 564 HB2 ARG 70 HB2 ARG 70 -6.579 -2.573 -6.484 565 HB3 ARG 70 HB1 ARG 70 -8.179 -2.041 -5.962 566 HG2 ARG 70 HG2 ARG 70 -7.584 0.292 -6.432 567 HG3 ARG 70 HG1 ARG 70 -5.956 -0.203 -6.896 568 HD2 ARG 70 HD2 ARG 70 -6.840 -1.512 -8.757 569 HD3 ARG 70 HD1 ARG 70 -8.493 -1.143 -8.263 570 HE ARG 70 HE ARG 70 -7.235 1.337 -8.638 571 HH11 ARG 70 HH21 ARG 70 -7.943 -1.516 -10.436 572 HH12 ARG 70 HH22 ARG 70 -8.097 -0.685 -11.948 573 HH21 ARG 70 HH11 ARG 70 -7.433 2.439 -10.598 574 HH22 ARG 70 HH12 ARG 70 -7.809 1.556 -12.040 575 H SER 71 HN SER 71 -8.589 -1.512 -3.084 576 HA SER 71 HA SER 71 -9.601 -3.001 -1.597 577 HB2 SER 71 HB2 SER 71 -8.166 -5.255 -2.980 578 HB3 SER 71 HB1 SER 71 -9.772 -5.245 -2.262 579 HG SER 71 HG SER 71 -8.886 -4.318 -4.730 580 H VAL 72 HN VAL 72 -7.278 -1.816 -0.601 581 HA VAL 72 HA VAL 72 -5.759 -4.042 0.701 582 HB VAL 72 HB VAL 72 -4.336 -2.119 1.571 583 HG11 VAL 72 HG11 VAL 72 -3.088 -1.940 -0.463 584 HG12 VAL 72 HG12 VAL 72 -4.519 -2.239 -1.449 585 HG13 VAL 72 HG13 VAL 72 -3.826 -3.539 -0.479 586 HG21 VAL 72 HG21 VAL 72 -4.610 0.057 0.650 587 HG22 VAL 72 HG22 VAL 72 -6.235 -0.443 1.118 588 HG23 VAL 72 HG23 VAL 72 -5.743 -0.519 -0.573 589 H VAL 73 HN VAL 73 -5.397 -3.851 3.055 590 HA VAL 73 HA VAL 73 -7.717 -2.588 4.486 591 HB VAL 73 HB VAL 73 -7.777 -5.123 4.324 592 HG11 VAL 73 HG11 VAL 73 -5.455 -4.991 6.271 593 HG12 VAL 73 HG12 VAL 73 -5.239 -5.318 4.551 594 HG13 VAL 73 HG13 VAL 73 -6.181 -6.427 5.548 595 HG21 VAL 73 HG21 VAL 73 -8.384 -5.407 6.659 596 HG22 VAL 73 HG22 VAL 73 -8.864 -3.788 6.155 597 HG23 VAL 73 HG23 VAL 73 -7.409 -4.015 7.125 598 H VAL 74 HN VAL 74 -7.196 -1.425 6.320 599 HA VAL 74 HA VAL 74 -4.324 -0.878 6.755 600 HB VAL 74 HB VAL 74 -6.811 0.338 7.995 601 HG11 VAL 74 HG11 VAL 74 -5.213 2.177 8.599 602 HG12 VAL 74 HG12 VAL 74 -3.890 1.138 8.069 603 HG13 VAL 74 HG13 VAL 74 -4.891 0.659 9.440 604 HG21 VAL 74 HG21 VAL 74 -6.630 0.695 5.553 605 HG22 VAL 74 HG22 VAL 74 -4.992 1.311 5.768 606 HG23 VAL 74 HG23 VAL 74 -6.361 2.198 6.436 607 H GLY 75 HN GLY 75 -3.250 -2.164 8.171 608 HA2 GLY 75 HA2 GLY 75 -4.744 -3.461 10.405 609 HA3 GLY 75 HA1 GLY 75 -3.152 -3.946 9.818 610 H GLU 76 HN GLU 76 -3.968 -3.278 12.571 611 HA GLU 76 HA GLU 76 -2.947 -0.679 13.284 612 HB2 GLU 76 HB2 GLU 76 -3.327 -3.227 14.875 613 HB3 GLU 76 HB1 GLU 76 -2.828 -1.695 15.595 614 HG2 GLU 76 HG2 GLU 76 -4.866 -0.617 14.812 615 HG3 GLU 76 HG1 GLU 76 -5.355 -2.088 13.969 616 H TYR 77 HN TYR 77 -0.875 -0.042 13.768 617 HA TYR 77 HA TYR 77 1.273 -2.128 13.844 618 HB2 TYR 77 HB2 TYR 77 1.143 -0.949 11.600 619 HB3 TYR 77 HB1 TYR 77 1.543 0.546 12.438 620 HD1 TYR 77 HD2 TYR 77 2.745 -3.014 12.281 621 HD2 TYR 77 HD1 TYR 77 3.804 1.150 12.508 622 HE1 TYR 77 HE2 TYR 77 5.144 -3.624 12.204 623 HE2 TYR 77 HE1 TYR 77 6.209 0.530 12.425 624 HH TYR 77 HH TYR 77 7.354 -2.298 11.406 625 H ASN 78 HN ASN 78 2.468 -1.956 15.624 626 HA ASN 78 HA ASN 78 2.085 -0.446 17.848 627 HB2 ASN 78 HB2 ASN 78 4.776 -1.192 16.661 628 HB3 ASN 78 HB1 ASN 78 4.557 -0.610 18.311 629 HD21 ASN 78 HD21 ASN 78 1.795 -2.157 18.170 630 HD22 ASN 78 HD22 ASN 78 2.251 -3.750 18.531 631 H ASP 79 HN ASP 79 3.607 0.717 14.909 632 HA ASP 79 HA ASP 79 3.921 3.421 16.179 633 HB2 ASP 79 HB2 ASP 79 5.401 2.115 13.896 634 HB3 ASP 79 HB1 ASP 79 5.470 3.846 14.205 635 H ARG 80 HN ARG 80 1.487 3.337 15.680 636 HA ARG 80 HA ARG 80 -0.145 4.624 14.577 637 HB2 ARG 80 HB2 ARG 80 1.802 4.912 12.256 638 HB3 ARG 80 HB1 ARG 80 0.293 5.766 12.480 639 HG2 ARG 80 HG2 ARG 80 1.084 6.929 14.403 640 HG3 ARG 80 HG1 ARG 80 2.523 5.922 14.514 641 HD2 ARG 80 HD2 ARG 80 1.923 7.668 12.125 642 HD3 ARG 80 HD1 ARG 80 2.894 8.210 13.492 643 HE ARG 80 HE ARG 80 4.035 5.786 12.683 644 HH11 ARG 80 HH21 ARG 80 3.300 8.875 11.350 645 HH12 ARG 80 HH22 ARG 80 4.612 8.849 10.220 646 HH21 ARG 80 HH11 ARG 80 5.754 5.730 11.221 647 HH22 ARG 80 HH12 ARG 80 6.003 7.066 10.146 648 H PHE 81 HN PHE 81 -0.790 4.465 11.801 649 HA PHE 81 HA PHE 81 -1.615 1.596 11.684 650 HB2 PHE 81 HB2 PHE 81 -2.713 4.078 10.331 651 HB3 PHE 81 HB1 PHE 81 -3.340 2.449 10.097 652 HD1 PHE 81 HD2 PHE 81 -4.338 1.199 12.026 653 HD2 PHE 81 HD1 PHE 81 -3.205 5.332 12.309 654 HE1 PHE 81 HE2 PHE 81 -5.708 1.436 14.079 655 HE2 PHE 81 HE1 PHE 81 -4.574 5.569 14.363 656 HZ PHE 81 HZ PHE 81 -5.824 3.619 15.249 657 H GLN 82 HN GLN 82 -1.409 0.453 9.685 658 HA GLN 82 HA GLN 82 0.333 1.708 7.599 659 HB2 GLN 82 HB2 GLN 82 1.735 -0.274 7.521 660 HB3 GLN 82 HB1 GLN 82 1.714 0.330 9.178 661 HG2 GLN 82 HG2 GLN 82 -0.136 -1.315 9.671 662 HG3 GLN 82 HG1 GLN 82 0.123 -2.001 8.067 663 HE21 GLN 82 HE21 GLN 82 3.094 -0.877 9.210 664 HE22 GLN 82 HE22 GLN 82 3.688 -2.332 9.845 665 H VAL 83 HN VAL 83 0.312 0.351 5.566 666 HA VAL 83 HA VAL 83 -2.430 -0.804 5.159 667 HB VAL 83 HB VAL 83 -2.114 -0.282 2.802 668 HG11 VAL 83 HG11 VAL 83 -2.942 1.535 4.194 669 HG12 VAL 83 HG12 VAL 83 -1.841 2.197 2.990 670 HG13 VAL 83 HG13 VAL 83 -1.298 1.978 4.651 671 HG21 VAL 83 HG21 VAL 83 0.690 0.395 3.715 672 HG22 VAL 83 HG22 VAL 83 0.026 1.034 2.210 673 HG23 VAL 83 HG23 VAL 83 0.194 -0.706 2.431 674 H GLN 84 HN GLN 84 -2.585 -2.947 4.721 675 HA GLN 84 HA GLN 84 -0.047 -4.487 4.315 676 HB2 GLN 84 HB2 GLN 84 -2.770 -5.302 5.358 677 HB3 GLN 84 HB1 GLN 84 -1.435 -6.425 5.090 678 HG2 GLN 84 HG2 GLN 84 -0.030 -5.145 6.651 679 HG3 GLN 84 HG1 GLN 84 -1.346 -4.000 6.907 680 HE21 GLN 84 HE21 GLN 84 -0.831 -4.925 9.248 681 HE22 GLN 84 HE22 GLN 84 -1.764 -6.259 9.726 682 H VAL 85 HN VAL 85 0.282 -5.536 2.439 683 HA VAL 85 HA VAL 85 -1.817 -5.442 0.346 684 HB VAL 85 HB VAL 85 1.025 -6.471 0.141 685 HG11 VAL 85 HG11 VAL 85 -0.681 -5.266 -2.038 686 HG12 VAL 85 HG12 VAL 85 -0.772 -6.985 -1.651 687 HG13 VAL 85 HG13 VAL 85 0.749 -6.283 -2.191 688 HG21 VAL 85 HG21 VAL 85 -0.101 -3.677 -0.177 689 HG22 VAL 85 HG22 VAL 85 1.463 -4.162 -0.831 690 HG23 VAL 85 HG23 VAL 85 1.187 -4.199 0.910 691 H ASN 86 HN ASN 86 -2.974 -7.240 -0.229 692 HA ASN 86 HA ASN 86 -2.054 -9.916 0.786 693 HB2 ASN 86 HB2 ASN 86 -4.825 -8.703 0.777 694 HB3 ASN 86 HB1 ASN 86 -4.537 -10.432 0.984 695 HD21 ASN 86 HD21 ASN 86 -5.701 -8.837 3.074 696 HD22 ASN 86 HD22 ASN 86 -4.601 -8.770 4.365 697 H LYS 87 HN LYS 87 -3.380 -11.687 -0.390 698 HA LYS 87 HA LYS 87 -2.669 -11.721 -3.119 699 HB2 LYS 87 HB2 LYS 87 -3.147 -13.748 -1.824 700 HB3 LYS 87 HB1 LYS 87 -4.840 -13.280 -1.682 701 HG2 LYS 87 HG2 LYS 87 -5.151 -13.466 -4.083 702 HG3 LYS 87 HG1 LYS 87 -3.425 -13.773 -4.318 703 HD2 LYS 87 HD2 LYS 87 -3.619 -15.832 -2.951 704 HD3 LYS 87 HD1 LYS 87 -5.348 -15.533 -2.762 705 HE2 LYS 87 HE2 LYS 87 -3.934 -15.919 -5.417 706 HE3 LYS 87 HE1 LYS 87 -4.882 -17.155 -4.585 707 HZ1 LYS 87 HZ1 LYS 87 -5.859 -14.547 -5.610 708 HZ2 LYS 87 HZ2 LYS 87 -6.783 -15.601 -4.651 709 HZ3 LYS 87 HZ3 LYS 87 -6.262 -16.089 -6.192 710 H ASN 88 HN ASN 88 -5.824 -10.989 -1.636 711 HA ASN 88 HA ASN 88 -7.243 -10.671 -4.094 712 HB2 ASN 88 HB2 ASN 88 -7.780 -9.252 -1.470 713 HB3 ASN 88 HB1 ASN 88 -8.923 -9.525 -2.782 714 HD21 ASN 88 HD21 ASN 88 -7.922 -12.289 -3.313 715 HD22 ASN 88 HD22 ASN 88 -8.499 -13.241 -2.031 716 H SER 89 HN SER 89 -5.245 -8.431 -2.227 717 HA SER 89 HA SER 89 -6.051 -6.018 -3.488 718 HB2 SER 89 HB2 SER 89 -3.332 -6.770 -2.398 719 HB3 SER 89 HB1 SER 89 -3.859 -5.131 -2.767 720 HG SER 89 HG SER 89 -4.442 -6.743 -0.629 721 H SER 90 HN SER 90 -5.249 -4.880 -5.259 722 HA SER 90 HA SER 90 -3.689 -6.506 -7.255 723 HB2 SER 90 HB2 SER 90 -5.504 -4.164 -7.870 724 HB3 SER 90 HB1 SER 90 -4.852 -5.352 -8.995 725 HG SER 90 HG SER 90 -6.416 -6.659 -8.477 726 H ILE 91 HN ILE 91 -2.004 -5.426 -8.383 727 HA ILE 91 HA ILE 91 -1.233 -2.710 -7.356 728 HB ILE 91 HB ILE 91 0.576 -5.106 -7.789 729 HG12 ILE 91 HG12 ILE 91 0.027 -3.525 -5.263 730 HG13 ILE 91 HG11 ILE 91 -0.810 -5.023 -5.670 731 HG21 ILE 91 HG21 ILE 91 1.788 -3.169 -8.490 732 HG22 ILE 91 HG22 ILE 91 2.307 -3.481 -6.834 733 HG23 ILE 91 HG23 ILE 91 1.143 -2.198 -7.168 734 HD11 ILE 91 HD11 ILE 91 1.174 -6.304 -5.539 735 HD12 ILE 91 HD12 ILE 91 1.278 -5.207 -4.166 736 HD13 ILE 91 HD13 ILE 91 2.207 -4.877 -5.625 737 H GLU 92 HN GLU 92 -0.745 -1.300 -8.978 738 HA GLU 92 HA GLU 92 0.037 -2.423 -11.656 739 HB2 GLU 92 HB2 GLU 92 -1.966 -0.189 -11.179 740 HB3 GLU 92 HB1 GLU 92 -1.388 -0.728 -12.754 741 HG2 GLU 92 HG2 GLU 92 -2.836 -2.484 -10.753 742 HG3 GLU 92 HG1 GLU 92 -3.591 -1.723 -12.154 743 H LYS 93 HN LYS 93 1.764 -1.390 -12.529 744 HA LYS 93 HA LYS 93 3.034 0.742 -10.963 745 HB2 LYS 93 HB2 LYS 93 4.361 -1.090 -11.990 746 HB3 LYS 93 HB1 LYS 93 3.872 -0.528 -13.588 747 HG2 LYS 93 HG2 LYS 93 4.953 1.626 -13.201 748 HG3 LYS 93 HG1 LYS 93 5.375 1.145 -11.556 749 HD2 LYS 93 HD2 LYS 93 6.733 -0.713 -12.451 750 HD3 LYS 93 HD1 LYS 93 6.327 -0.215 -14.094 751 HE2 LYS 93 HE2 LYS 93 7.391 1.968 -13.711 752 HE3 LYS 93 HE1 LYS 93 7.774 1.499 -12.054 753 HZ1 LYS 93 HZ1 LYS 93 8.663 -0.487 -13.852 754 HZ2 LYS 93 HZ2 LYS 93 9.569 0.446 -12.758 755 HZ3 LYS 93 HZ3 LYS 93 9.276 1.020 -14.330 756 H LEU 94 HN LEU 94 2.708 2.874 -11.350 757 HA LEU 94 HA LEU 94 1.288 3.668 -13.843 758 HB2 LEU 94 HB2 LEU 94 1.697 4.938 -11.143 759 HB3 LEU 94 HB1 LEU 94 1.239 5.941 -12.518 760 HG LEU 94 HG LEU 94 -0.711 5.086 -11.163 761 HD11 LEU 94 HD11 LEU 94 -0.603 5.507 -13.833 762 HD12 LEU 94 HD12 LEU 94 -2.062 4.952 -13.025 763 HD13 LEU 94 HD13 LEU 94 -1.024 3.795 -13.849 764 HD21 LEU 94 HD21 LEU 94 0.449 2.827 -10.776 765 HD22 LEU 94 HD22 LEU 94 -0.073 2.403 -12.406 766 HD23 LEU 94 HD23 LEU 94 -1.269 2.768 -11.170 767 H SER 95 HN SER 95 2.193 4.926 -15.372 768 HA SER 95 HA SER 95 5.094 5.337 -15.288 769 HB2 SER 95 HB2 SER 95 4.828 6.068 -17.597 770 HB3 SER 95 HB1 SER 95 3.867 4.612 -17.354 771 HG SER 95 HG SER 95 3.057 7.005 -18.157 772 H GLU 96 HN GLU 96 2.449 7.042 -14.171 773 HA GLU 96 HA GLU 96 3.663 9.714 -14.668 774 HB2 GLU 96 HB2 GLU 96 0.952 8.927 -13.581 775 HB3 GLU 96 HB1 GLU 96 1.494 10.587 -13.841 776 HG2 GLU 96 HG2 GLU 96 1.932 9.957 -16.256 777 HG3 GLU 96 HG1 GLU 96 1.105 8.433 -15.933 778 HA PRO 97 HA PRO 97 5.013 9.058 -10.345 779 HB2 PRO 97 HB2 PRO 97 6.892 11.036 -10.225 780 HB3 PRO 97 HB1 PRO 97 7.191 9.473 -11.012 781 HG2 PRO 97 HG2 PRO 97 6.545 12.114 -12.232 782 HG3 PRO 97 HG1 PRO 97 7.643 10.845 -12.803 783 HD2 PRO 97 HD2 PRO 97 5.080 11.250 -13.788 784 HD3 PRO 97 HD1 PRO 97 5.957 9.705 -13.897 785 H ILE 98 HN ILE 98 4.849 10.323 -8.342 786 HA ILE 98 HA ILE 98 2.831 12.509 -8.578 787 HB ILE 98 HB ILE 98 3.724 10.866 -6.192 788 HG12 ILE 98 HG12 ILE 98 1.093 10.849 -7.695 789 HG13 ILE 98 HG11 ILE 98 2.400 9.709 -8.017 790 HG21 ILE 98 HG21 ILE 98 1.649 11.906 -5.161 791 HG22 ILE 98 HG22 ILE 98 1.639 13.038 -6.513 792 HG23 ILE 98 HG23 ILE 98 3.003 13.011 -5.394 793 HD11 ILE 98 HD11 ILE 98 2.247 8.755 -5.845 794 HD12 ILE 98 HD12 ILE 98 0.577 8.932 -6.384 795 HD13 ILE 98 HD13 ILE 98 1.263 10.089 -5.243 796 H GLU 99 HN GLU 99 3.433 14.564 -8.244 797 HA GLU 99 HA GLU 99 6.184 15.199 -7.525 798 HB2 GLU 99 HB2 GLU 99 3.747 16.914 -8.071 799 HB3 GLU 99 HB1 GLU 99 5.352 17.573 -7.743 800 HG2 GLU 99 HG2 GLU 99 6.271 16.390 -9.675 801 HG3 GLU 99 HG1 GLU 99 4.710 15.626 -9.978 802 H VAL 100 HN VAL 100 6.895 15.415 -5.481 803 HA VAL 100 HA VAL 100 4.912 15.938 -3.291 804 HB VAL 100 HB VAL 100 7.745 14.931 -2.965 805 HG11 VAL 100 HG11 VAL 100 6.741 13.990 -0.869 806 HG12 VAL 100 HG12 VAL 100 5.230 14.806 -1.271 807 HG13 VAL 100 HG13 VAL 100 6.680 15.752 -0.934 808 HG21 VAL 100 HG21 VAL 100 5.194 13.354 -3.422 809 HG22 VAL 100 HG22 VAL 100 6.713 12.652 -2.865 810 HG23 VAL 100 HG23 VAL 100 6.612 13.380 -4.468 811 H GLY 101 HN GLY 101 7.431 17.364 -5.095 812 HA2 GLY 101 HA2 GLY 101 7.377 19.923 -4.374 813 HA3 GLY 101 HA1 GLY 101 8.156 19.274 -2.930 814 H LEU 102 HN LEU 102 8.524 18.876 -6.486 815 HA LEU 102 HA LEU 102 11.312 18.257 -6.333 816 HB2 LEU 102 HB2 LEU 102 10.011 17.749 -8.343 817 HB3 LEU 102 HB1 LEU 102 9.699 19.463 -8.606 818 HG LEU 102 HG LEU 102 12.085 19.877 -8.977 819 HD11 LEU 102 HD11 LEU 102 12.315 16.987 -8.144 820 HD12 LEU 102 HD12 LEU 102 13.260 18.374 -7.603 821 HD13 LEU 102 HD13 LEU 102 13.528 17.699 -9.209 822 HD21 LEU 102 HD21 LEU 102 10.544 19.002 -10.820 823 HD22 LEU 102 HD22 LEU 102 11.306 17.431 -10.574 824 HD23 LEU 102 HD23 LEU 102 12.274 18.807 -11.101 825 H GLU 103 HN GLU 103 9.612 21.342 -6.893 826 HA GLU 103 HA GLU 103 12.199 22.796 -6.825 827 HB2 GLU 103 HB2 GLU 103 10.483 23.422 -8.503 828 HB3 GLU 103 HB1 GLU 103 9.374 23.832 -7.195 829 HG2 GLU 103 HG2 GLU 103 10.906 25.556 -6.388 830 HG3 GLU 103 HG1 GLU 103 12.093 25.110 -7.613 831 H HIS 104 HN HIS 104 12.978 23.301 -4.852 832 HA HIS 104 HA HIS 104 13.005 23.711 -2.525 833 HB2 HIS 104 HB2 HIS 104 12.676 25.946 -3.486 834 HB3 HIS 104 HB1 HIS 104 10.929 25.704 -3.485 835 HD1 HIS 104 HD1 HIS 104 13.814 25.690 -0.986 836 HD2 HIS 104 HD2 HIS 104 9.727 26.500 -1.126 837 HE1 HIS 104 HE1 HIS 104 13.176 26.554 1.309 838 H HIS 105 HN HIS 105 9.675 24.757 -2.595 839 HA HIS 105 HA HIS 105 8.685 22.185 -1.552 840 HB2 HIS 105 HB2 HIS 105 8.862 24.689 0.143 841 HB3 HIS 105 HB1 HIS 105 7.799 23.333 0.532 842 HD1 HIS 105 HD1 HIS 105 9.299 20.886 0.287 843 HD2 HIS 105 HD2 HIS 105 11.258 24.370 1.471 844 HE1 HIS 105 HE1 HIS 105 11.423 20.151 1.453 845 H HIS 106 HN HIS 106 6.299 22.359 -1.057 846 HA HIS 106 HA HIS 106 4.898 23.405 -3.290 847 HB2 HIS 106 HB2 HIS 106 4.131 21.552 -1.778 848 HB3 HIS 106 HB1 HIS 106 3.739 22.772 -0.566 849 HD1 HIS 106 HD1 HIS 106 1.826 24.483 -1.174 850 HD2 HIS 106 HD2 HIS 106 2.291 21.359 -3.893 851 HE1 HIS 106 HE1 HIS 106 -0.253 24.477 -2.619 852 H HIS 107 HN HIS 107 3.097 25.021 -3.177 853 HA HIS 107 HA HIS 107 2.496 27.278 -2.957 854 HB2 HIS 107 HB2 HIS 107 1.674 26.362 -0.800 855 HB3 HIS 107 HB1 HIS 107 3.233 26.737 -0.065 856 HD1 HIS 107 HD1 HIS 107 0.414 28.537 -1.900 857 HD2 HIS 107 HD2 HIS 107 3.395 29.332 0.903 858 HE1 HIS 107 HE1 HIS 107 0.068 30.930 -1.146 859 H HIS 108 HN HIS 108 5.469 26.436 -3.190 860 HA HIS 108 HA HIS 108 7.592 27.468 -3.090 861 HB2 HIS 108 HB2 HIS 108 5.825 29.812 -3.860 862 HB3 HIS 108 HB1 HIS 108 7.564 29.701 -4.133 863 HD1 HIS 108 HD1 HIS 108 8.305 27.536 -5.663 864 HD2 HIS 108 HD2 HIS 108 4.324 28.748 -5.922 865 HE1 HIS 108 HE1 HIS 108 7.383 26.520 -7.793 866 H HIS 109 HN HIS 109 7.122 30.630 -2.555 867 HA HIS 109 HA HIS 109 6.650 30.804 0.276 868 HB2 HIS 109 HB2 HIS 109 8.800 29.607 0.407 869 HB3 HIS 109 HB1 HIS 109 9.552 30.830 -0.619 870 HD1 HIS 109 HD1 HIS 109 7.601 30.731 2.666 871 HD2 HIS 109 HD2 HIS 109 10.685 32.868 0.850 872 HE1 HIS 109 HE1 HIS 109 8.427 32.395 4.386 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -15.506 2.561 -13.509 2 H2 MET 1 HT2 MET 1 -14.789 1.266 -14.344 3 H3 MET 1 HT3 MET 1 -14.336 2.866 -14.697 4 HA MET 1 HA MET 1 -13.648 1.204 -12.374 5 HB2 MET 1 HB2 MET 1 -12.118 3.111 -14.172 6 HB3 MET 1 HB1 MET 1 -11.411 2.191 -12.843 7 HG2 MET 1 HG2 MET 1 -12.835 0.964 -15.223 8 HG3 MET 1 HG1 MET 1 -11.084 1.075 -15.054 9 HE1 MET 1 HE1 MET 1 -9.996 -1.180 -12.433 10 HE2 MET 1 HE2 MET 1 -10.700 0.258 -11.701 11 HE3 MET 1 HE3 MET 1 -9.829 0.392 -13.225 12 H GLU 2 HN GLU 2 -12.980 2.185 -10.450 13 HA GLU 2 HA GLU 2 -12.876 5.007 -9.985 14 HB2 GLU 2 HB2 GLU 2 -14.998 5.052 -8.509 15 HB3 GLU 2 HB1 GLU 2 -15.220 5.157 -10.255 16 HG2 GLU 2 HG2 GLU 2 -15.876 2.875 -10.418 17 HG3 GLU 2 HG1 GLU 2 -15.304 2.515 -8.788 18 HA PRO 3 HA PRO 3 -11.078 2.092 -6.814 19 HB2 PRO 3 HB2 PRO 3 -8.854 4.053 -6.946 20 HB3 PRO 3 HB1 PRO 3 -8.799 2.289 -7.091 21 HG2 PRO 3 HG2 PRO 3 -8.434 3.918 -9.191 22 HG3 PRO 3 HG1 PRO 3 -9.223 2.337 -9.346 23 HD2 PRO 3 HD2 PRO 3 -10.466 5.071 -9.305 24 HD3 PRO 3 HD1 PRO 3 -10.925 3.642 -10.257 25 H GLN 4 HN GLN 4 -10.921 2.448 -4.577 26 HA GLN 4 HA GLN 4 -12.069 5.010 -3.648 27 HB2 GLN 4 HB2 GLN 4 -11.457 2.399 -2.229 28 HB3 GLN 4 HB1 GLN 4 -12.150 3.815 -1.431 29 HG2 GLN 4 HG2 GLN 4 -14.052 3.779 -2.996 30 HG3 GLN 4 HG1 GLN 4 -13.362 2.380 -3.816 31 HE21 GLN 4 HE21 GLN 4 -14.684 0.635 -3.224 32 HE22 GLN 4 HE22 GLN 4 -15.136 0.265 -1.632 33 H LEU 5 HN LEU 5 -10.141 6.227 -4.204 34 HA LEU 5 HA LEU 5 -7.573 5.783 -3.065 35 HB2 LEU 5 HB2 LEU 5 -9.034 8.170 -4.148 36 HB3 LEU 5 HB1 LEU 5 -7.535 8.456 -3.267 37 HG LEU 5 HG LEU 5 -7.250 8.176 -5.761 38 HD11 LEU 5 HD11 LEU 5 -5.182 7.173 -5.501 39 HD12 LEU 5 HD12 LEU 5 -5.802 5.874 -4.490 40 HD13 LEU 5 HD13 LEU 5 -5.545 7.476 -3.803 41 HD21 LEU 5 HD21 LEU 5 -7.647 6.105 -6.817 42 HD22 LEU 5 HD22 LEU 5 -9.054 6.292 -5.771 43 HD23 LEU 5 HD23 LEU 5 -7.727 5.232 -5.287 44 H THR 6 HN THR 6 -6.754 6.092 -1.116 45 HA THR 6 HA THR 6 -8.380 7.575 0.921 46 HB THR 6 HB THR 6 -6.854 4.988 1.328 47 HG1 THR 6 HG1 THR 6 -9.525 5.683 0.912 48 HG21 THR 6 HG21 THR 6 -6.743 6.419 3.302 49 HG22 THR 6 HG22 THR 6 -7.880 5.105 3.600 50 HG23 THR 6 HG23 THR 6 -8.479 6.717 3.212 51 H LYS 7 HN LYS 7 -7.286 9.114 1.900 52 HA LYS 7 HA LYS 7 -4.388 9.410 1.398 53 HB2 LYS 7 HB2 LYS 7 -6.444 11.243 2.665 54 HB3 LYS 7 HB1 LYS 7 -4.744 11.662 2.443 55 HG2 LYS 7 HG2 LYS 7 -4.981 11.311 0.004 56 HG3 LYS 7 HG1 LYS 7 -6.686 10.922 0.231 57 HD2 LYS 7 HD2 LYS 7 -7.080 13.173 1.166 58 HD3 LYS 7 HD1 LYS 7 -5.375 13.564 0.943 59 HE2 LYS 7 HE2 LYS 7 -5.604 13.223 -1.488 60 HE3 LYS 7 HE1 LYS 7 -7.307 12.818 -1.274 61 HZ1 LYS 7 HZ1 LYS 7 -6.302 15.360 -0.205 62 HZ2 LYS 7 HZ2 LYS 7 -7.856 14.964 -0.767 63 HZ3 LYS 7 HZ3 LYS 7 -6.593 15.234 -1.871 64 H ILE 8 HN ILE 8 -2.904 9.782 3.114 65 HA ILE 8 HA ILE 8 -3.134 7.987 5.321 66 HB ILE 8 HB ILE 8 -1.271 10.368 5.041 67 HG12 ILE 8 HG12 ILE 8 -0.811 7.492 4.194 68 HG13 ILE 8 HG11 ILE 8 -1.291 8.769 3.077 69 HG21 ILE 8 HG21 ILE 8 -0.989 7.765 6.575 70 HG22 ILE 8 HG22 ILE 8 -1.349 9.332 7.299 71 HG23 ILE 8 HG23 ILE 8 0.203 9.063 6.507 72 HD11 ILE 8 HD11 ILE 8 1.141 8.496 3.020 73 HD12 ILE 8 HD12 ILE 8 1.229 8.726 4.767 74 HD13 ILE 8 HD13 ILE 8 0.737 10.063 3.724 75 H VAL 9 HN VAL 9 -3.478 11.512 5.112 76 HA VAL 9 HA VAL 9 -3.937 11.951 7.908 77 HB VAL 9 HB VAL 9 -3.344 13.732 6.248 78 HG11 VAL 9 HG11 VAL 9 -4.927 14.568 4.694 79 HG12 VAL 9 HG12 VAL 9 -6.258 13.690 5.445 80 HG13 VAL 9 HG13 VAL 9 -5.031 12.816 4.529 81 HG21 VAL 9 HG21 VAL 9 -4.656 15.446 7.290 82 HG22 VAL 9 HG22 VAL 9 -4.452 14.175 8.495 83 HG23 VAL 9 HG23 VAL 9 -5.976 14.324 7.622 84 H ASP 10 HN ASP 10 -5.942 10.737 5.365 85 HA ASP 10 HA ASP 10 -8.484 11.297 6.717 86 HB2 ASP 10 HB2 ASP 10 -7.731 9.611 4.312 87 HB3 ASP 10 HB1 ASP 10 -9.385 9.736 4.912 88 H ILE 11 HN ILE 11 -6.015 9.169 7.310 89 HA ILE 11 HA ILE 11 -7.675 6.839 8.009 90 HB ILE 11 HB ILE 11 -4.732 7.425 8.443 91 HG12 ILE 11 HG12 ILE 11 -6.115 5.530 6.518 92 HG13 ILE 11 HG11 ILE 11 -5.549 7.138 6.072 93 HG21 ILE 11 HG21 ILE 11 -6.422 4.974 8.997 94 HG22 ILE 11 HG22 ILE 11 -5.413 5.864 10.136 95 HG23 ILE 11 HG23 ILE 11 -4.665 4.909 8.857 96 HD11 ILE 11 HD11 ILE 11 -3.923 4.733 6.886 97 HD12 ILE 11 HD12 ILE 11 -3.252 6.359 7.000 98 HD13 ILE 11 HD13 ILE 11 -3.769 5.725 5.437 99 H VAL 12 HN VAL 12 -8.877 6.984 9.773 100 HA VAL 12 HA VAL 12 -7.649 7.981 12.308 101 HB VAL 12 HB VAL 12 -9.729 9.119 12.901 102 HG11 VAL 12 HG11 VAL 12 -8.700 9.871 10.151 103 HG12 VAL 12 HG12 VAL 12 -8.057 10.426 11.696 104 HG13 VAL 12 HG13 VAL 12 -9.670 10.921 11.182 105 HG21 VAL 12 HG21 VAL 12 -10.665 8.102 10.200 106 HG22 VAL 12 HG22 VAL 12 -11.479 9.399 11.073 107 HG23 VAL 12 HG23 VAL 12 -11.389 7.784 11.777 108 H GLU 13 HN GLU 13 -9.096 5.509 10.633 109 HA GLU 13 HA GLU 13 -9.827 4.121 13.167 110 HB2 GLU 13 HB2 GLU 13 -11.842 3.170 12.073 111 HB3 GLU 13 HB1 GLU 13 -11.946 4.921 12.257 112 HG2 GLU 13 HG2 GLU 13 -11.198 5.203 9.910 113 HG3 GLU 13 HG1 GLU 13 -11.134 3.449 9.730 114 H ASN 14 HN ASN 14 -9.389 1.948 13.149 115 HA ASN 14 HA ASN 14 -7.659 0.980 10.957 116 HB2 ASN 14 HB2 ASN 14 -7.149 -0.873 12.503 117 HB3 ASN 14 HB1 ASN 14 -6.916 0.687 13.287 118 HD21 ASN 14 HD21 ASN 14 -7.226 -0.858 15.276 119 HD22 ASN 14 HD22 ASN 14 -8.817 -1.068 15.826 120 H GLY 15 HN GLY 15 -7.952 -1.199 10.119 121 HA2 GLY 15 HA2 GLY 15 -9.220 -3.019 9.316 122 HA3 GLY 15 HA1 GLY 15 -10.556 -2.513 10.355 123 H GLN 16 HN GLN 16 -9.203 -0.027 8.454 124 HA GLN 16 HA GLN 16 -11.686 0.227 6.925 125 HB2 GLN 16 HB2 GLN 16 -10.473 2.202 7.848 126 HB3 GLN 16 HB1 GLN 16 -9.141 1.864 6.741 127 HG2 GLN 16 HG2 GLN 16 -10.676 2.109 4.818 128 HG3 GLN 16 HG1 GLN 16 -12.005 2.446 5.925 129 HE21 GLN 16 HE21 GLN 16 -12.386 4.644 6.172 130 HE22 GLN 16 HE22 GLN 16 -11.213 5.863 6.037 131 H TRP 17 HN TRP 17 -12.012 -0.378 4.880 132 HA TRP 17 HA TRP 17 -9.732 -1.581 3.357 133 HB2 TRP 17 HB2 TRP 17 -12.729 -1.994 3.204 134 HB3 TRP 17 HB1 TRP 17 -11.593 -2.664 2.033 135 HD1 TRP 17 HD1 TRP 17 -12.481 -2.840 5.766 136 HE1 TRP 17 HE1 TRP 17 -11.592 -5.068 6.710 137 HE3 TRP 17 HE3 TRP 17 -9.935 -4.567 1.692 138 HZ2 TRP 17 HZ2 TRP 17 -10.012 -7.292 5.847 139 HZ3 TRP 17 HZ3 TRP 17 -8.750 -6.741 1.778 140 HH2 TRP 17 HH2 TRP 17 -8.784 -8.105 3.849 141 H ALA 18 HN ALA 18 -9.110 -0.668 1.490 142 HA ALA 18 HA ALA 18 -10.777 0.754 -0.325 143 HB1 ALA 18 HB1 ALA 18 -11.033 2.545 1.193 144 HB2 ALA 18 HB2 ALA 18 -9.727 3.077 0.135 145 HB3 ALA 18 HB3 ALA 18 -9.361 2.435 1.737 146 H ASN 19 HN ASN 19 -9.160 2.459 -1.566 147 HA ASN 19 HA ASN 19 -6.833 0.782 -2.376 148 HB2 ASN 19 HB2 ASN 19 -8.269 1.329 -4.218 149 HB3 ASN 19 HB1 ASN 19 -8.344 3.024 -3.740 150 HD21 ASN 19 HD21 ASN 19 -5.974 4.066 -3.619 151 HD22 ASN 19 HD22 ASN 19 -4.954 3.680 -4.918 152 H LEU 20 HN LEU 20 -4.775 1.736 -2.635 153 HA LEU 20 HA LEU 20 -4.380 4.409 -1.370 154 HB2 LEU 20 HB2 LEU 20 -3.944 2.513 0.262 155 HB3 LEU 20 HB1 LEU 20 -2.625 2.016 -0.799 156 HG LEU 20 HG LEU 20 -1.911 4.580 -0.582 157 HD11 LEU 20 HD11 LEU 20 -3.986 5.103 0.768 158 HD12 LEU 20 HD12 LEU 20 -2.476 5.563 1.545 159 HD13 LEU 20 HD13 LEU 20 -3.321 4.103 2.056 160 HD21 LEU 20 HD21 LEU 20 -0.437 2.836 0.128 161 HD22 LEU 20 HD22 LEU 20 -1.481 2.411 1.483 162 HD23 LEU 20 HD23 LEU 20 -0.596 3.935 1.497 163 H LYS 21 HN LYS 21 -3.106 5.667 -2.515 164 HA LYS 21 HA LYS 21 -1.312 4.468 -4.604 165 HB2 LYS 21 HB2 LYS 21 -3.325 5.746 -5.447 166 HB3 LYS 21 HB1 LYS 21 -2.642 7.188 -4.699 167 HG2 LYS 21 HG2 LYS 21 -0.548 6.826 -6.025 168 HG3 LYS 21 HG1 LYS 21 -1.345 5.484 -6.847 169 HD2 LYS 21 HD2 LYS 21 -2.560 8.251 -6.790 170 HD3 LYS 21 HD1 LYS 21 -1.396 7.779 -8.026 171 HE2 LYS 21 HE2 LYS 21 -2.885 5.808 -8.559 172 HE3 LYS 21 HE1 LYS 21 -4.085 6.498 -7.468 173 HZ1 LYS 21 HZ1 LYS 21 -2.917 8.053 -9.688 174 HZ2 LYS 21 HZ2 LYS 21 -4.334 8.370 -8.806 175 HZ3 LYS 21 HZ3 LYS 21 -4.285 7.074 -9.903 176 H ALA 22 HN ALA 22 0.802 5.044 -4.461 177 HA ALA 22 HA ALA 22 1.633 7.565 -3.246 178 HB1 ALA 22 HB1 ALA 22 2.185 4.998 -1.741 179 HB2 ALA 22 HB2 ALA 22 1.133 6.307 -1.203 180 HB3 ALA 22 HB3 ALA 22 2.869 6.577 -1.357 181 H LYS 23 HN LYS 23 4.120 7.427 -2.814 182 HA LYS 23 HA LYS 23 5.371 6.062 -5.168 183 HB2 LYS 23 HB2 LYS 23 5.401 8.517 -5.288 184 HB3 LYS 23 HB1 LYS 23 6.212 8.581 -3.723 185 HG2 LYS 23 HG2 LYS 23 8.140 7.388 -4.628 186 HG3 LYS 23 HG1 LYS 23 7.319 7.182 -6.176 187 HD2 LYS 23 HD2 LYS 23 7.243 9.637 -6.456 188 HD3 LYS 23 HD1 LYS 23 8.083 9.834 -4.918 189 HE2 LYS 23 HE2 LYS 23 9.197 8.288 -7.275 190 HE3 LYS 23 HE1 LYS 23 9.610 9.963 -6.903 191 HZ1 LYS 23 HZ1 LYS 23 10.121 7.561 -5.244 192 HZ2 LYS 23 HZ2 LYS 23 10.281 9.146 -4.654 193 HZ3 LYS 23 HZ3 LYS 23 11.264 8.609 -5.931 194 H VAL 24 HN VAL 24 7.227 4.909 -4.897 195 HA VAL 24 HA VAL 24 7.778 3.985 -2.161 196 HB VAL 24 HB VAL 24 8.970 3.196 -4.832 197 HG11 VAL 24 HG11 VAL 24 9.244 2.031 -2.049 198 HG12 VAL 24 HG12 VAL 24 10.536 2.653 -3.074 199 HG13 VAL 24 HG13 VAL 24 9.700 1.162 -3.514 200 HG21 VAL 24 HG21 VAL 24 7.436 1.392 -4.821 201 HG22 VAL 24 HG22 VAL 24 6.464 2.774 -4.320 202 HG23 VAL 24 HG23 VAL 24 7.043 1.619 -3.118 203 H ILE 25 HN ILE 25 9.262 4.861 -0.905 204 HA ILE 25 HA ILE 25 11.419 6.558 -2.087 205 HB ILE 25 HB ILE 25 10.677 6.257 0.837 206 HG12 ILE 25 HG12 ILE 25 8.677 7.025 -0.291 207 HG13 ILE 25 HG11 ILE 25 9.419 8.421 0.489 208 HG21 ILE 25 HG21 ILE 25 12.870 7.239 0.403 209 HG22 ILE 25 HG22 ILE 25 11.768 8.501 0.959 210 HG23 ILE 25 HG23 ILE 25 12.163 8.367 -0.754 211 HD11 ILE 25 HD11 ILE 25 9.384 7.694 -2.437 212 HD12 ILE 25 HD12 ILE 25 10.621 8.778 -1.800 213 HD13 ILE 25 HD13 ILE 25 8.916 9.213 -1.676 214 H GLN 26 HN GLN 26 10.888 3.982 0.333 215 HA GLN 26 HA GLN 26 13.473 2.783 -0.438 216 HB2 GLN 26 HB2 GLN 26 13.960 4.393 1.431 217 HB3 GLN 26 HB1 GLN 26 12.866 3.460 2.452 218 HG2 GLN 26 HG2 GLN 26 15.114 2.677 2.862 219 HG3 GLN 26 HG1 GLN 26 14.266 1.421 1.967 220 HE21 GLN 26 HE21 GLN 26 15.980 0.525 0.738 221 HE22 GLN 26 HE22 GLN 26 16.935 1.423 -0.340 222 H LEU 27 HN LEU 27 13.540 0.599 -0.079 223 HA LEU 27 HA LEU 27 11.321 -0.718 1.387 224 HB2 LEU 27 HB2 LEU 27 11.152 -2.370 -0.554 225 HB3 LEU 27 HB1 LEU 27 10.439 -0.783 -0.825 226 HG LEU 27 HG LEU 27 13.268 -1.482 -1.660 227 HD11 LEU 27 HD11 LEU 27 11.932 -2.971 -2.934 228 HD12 LEU 27 HD12 LEU 27 12.191 -1.584 -3.993 229 HD13 LEU 27 HD13 LEU 27 10.656 -1.770 -3.147 230 HD21 LEU 27 HD21 LEU 27 13.313 0.782 -1.936 231 HD22 LEU 27 HD22 LEU 27 11.562 0.941 -1.822 232 HD23 LEU 27 HD23 LEU 27 12.311 0.494 -3.353 233 H TRP 28 HN TRP 28 11.983 -2.505 2.463 234 HA TRP 28 HA TRP 28 14.800 -3.443 1.996 235 HB2 TRP 28 HB2 TRP 28 13.228 -3.611 4.577 236 HB3 TRP 28 HB1 TRP 28 14.947 -3.931 4.342 237 HD1 TRP 28 HD1 TRP 28 16.196 -1.633 3.046 238 HE1 TRP 28 HE1 TRP 28 16.064 0.795 3.906 239 HE3 TRP 28 HE3 TRP 28 12.009 -1.952 5.952 240 HZ2 TRP 28 HZ2 TRP 28 14.403 2.390 5.602 241 HZ3 TRP 28 HZ3 TRP 28 11.173 0.035 7.175 242 HH2 TRP 28 HH2 TRP 28 12.364 2.203 7.004 243 H GLU 29 HN GLU 29 14.944 -5.407 1.221 244 HA GLU 29 HA GLU 29 12.746 -7.154 0.748 245 HB2 GLU 29 HB2 GLU 29 14.928 -7.149 -0.501 246 HB3 GLU 29 HB1 GLU 29 15.678 -7.907 0.905 247 HG2 GLU 29 HG2 GLU 29 15.085 -9.672 -0.625 248 HG3 GLU 29 HG1 GLU 29 13.944 -9.747 0.718 249 H ASN 30 HN ASN 30 11.960 -8.896 1.869 250 HA ASN 30 HA ASN 30 13.275 -9.612 4.463 251 HB2 ASN 30 HB2 ASN 30 11.218 -8.049 4.652 252 HB3 ASN 30 HB1 ASN 30 10.274 -9.455 4.163 253 HD21 ASN 30 HD21 ASN 30 10.039 -11.195 5.692 254 HD22 ASN 30 HD22 ASN 30 10.604 -11.089 7.287 255 H THR 31 HN THR 31 13.656 -11.707 4.559 256 HA THR 31 HA THR 31 11.959 -13.614 2.973 257 HB THR 31 HB THR 31 14.077 -15.032 2.901 258 HG1 THR 31 HG1 THR 31 15.472 -12.643 3.303 259 HG21 THR 31 HG21 THR 31 13.292 -13.806 0.941 260 HG22 THR 31 HG22 THR 31 15.051 -13.716 1.030 261 HG23 THR 31 HG23 THR 31 14.071 -12.335 1.521 262 H HIS 32 HN HIS 32 11.118 -13.000 5.452 263 HA HIS 32 HA HIS 32 12.242 -14.943 7.394 264 HB2 HIS 32 HB2 HIS 32 10.065 -12.840 7.608 265 HB3 HIS 32 HB1 HIS 32 10.531 -13.907 8.933 266 HD1 HIS 32 HD1 HIS 32 13.651 -13.816 8.107 267 HD2 HIS 32 HD2 HIS 32 11.195 -10.537 8.880 268 HE1 HIS 32 HE1 HIS 32 15.183 -11.914 8.774 269 H GLU 33 HN GLU 33 10.332 -15.262 4.840 270 HA GLU 33 HA GLU 33 8.811 -16.896 4.165 271 HB2 GLU 33 HB2 GLU 33 10.204 -18.280 5.879 272 HB3 GLU 33 HB1 GLU 33 8.837 -18.038 6.964 273 HG2 GLU 33 HG2 GLU 33 8.408 -20.097 5.858 274 HG3 GLU 33 HG1 GLU 33 7.359 -18.911 5.083 275 H SER 34 HN SER 34 8.332 -14.789 6.778 276 HA SER 34 HA SER 34 5.374 -15.267 6.808 277 HB2 SER 34 HB2 SER 34 6.557 -15.282 9.011 278 HB3 SER 34 HB1 SER 34 7.075 -13.625 8.710 279 HG SER 34 HG SER 34 4.972 -12.962 8.782 280 H ILE 35 HN ILE 35 7.874 -12.817 6.235 281 HA ILE 35 HA ILE 35 5.752 -11.044 5.044 282 HB ILE 35 HB ILE 35 8.231 -10.236 6.592 283 HG12 ILE 35 HG12 ILE 35 5.309 -9.643 7.137 284 HG13 ILE 35 HG11 ILE 35 6.165 -11.003 7.863 285 HG21 ILE 35 HG21 ILE 35 6.233 -8.651 4.968 286 HG22 ILE 35 HG22 ILE 35 7.989 -8.667 4.807 287 HG23 ILE 35 HG23 ILE 35 7.240 -7.910 6.213 288 HD11 ILE 35 HD11 ILE 35 7.859 -9.373 8.757 289 HD12 ILE 35 HD12 ILE 35 6.241 -9.148 9.421 290 HD13 ILE 35 HD13 ILE 35 6.836 -8.063 8.165 291 H SER 36 HN SER 36 6.040 -10.765 2.929 292 HA SER 36 HA SER 36 8.351 -11.748 1.507 293 HB2 SER 36 HB2 SER 36 5.923 -11.447 0.650 294 HB3 SER 36 HB1 SER 36 6.364 -9.762 0.392 295 HG SER 36 HG SER 36 7.546 -10.343 -1.253 296 H GLN 37 HN GLN 37 7.134 -8.446 2.103 297 HA GLN 37 HA GLN 37 9.883 -7.441 2.288 298 HB2 GLN 37 HB2 GLN 37 9.464 -7.461 -0.171 299 HB3 GLN 37 HB1 GLN 37 8.067 -6.414 0.086 300 HG2 GLN 37 HG2 GLN 37 9.495 -4.677 1.038 301 HG3 GLN 37 HG1 GLN 37 10.900 -5.732 0.915 302 HE21 GLN 37 HE21 GLN 37 12.156 -5.246 -0.877 303 HE22 GLN 37 HE22 GLN 37 11.567 -4.652 -2.352 304 H VAL 38 HN VAL 38 9.964 -5.305 3.132 305 HA VAL 38 HA VAL 38 7.384 -4.039 3.905 306 HB VAL 38 HB VAL 38 7.846 -5.410 5.828 307 HG11 VAL 38 HG11 VAL 38 10.262 -5.811 5.269 308 HG12 VAL 38 HG12 VAL 38 9.984 -5.433 6.967 309 HG13 VAL 38 HG13 VAL 38 10.625 -4.199 5.884 310 HG21 VAL 38 HG21 VAL 38 7.273 -2.917 6.119 311 HG22 VAL 38 HG22 VAL 38 8.973 -2.694 6.535 312 HG23 VAL 38 HG23 VAL 38 7.954 -3.743 7.521 313 H GLY 39 HN GLY 39 7.541 -1.827 4.178 314 HA2 GLY 39 HA2 GLY 39 10.017 -0.377 4.403 315 HA3 GLY 39 HA1 GLY 39 9.503 -0.430 2.720 316 H LEU 40 HN LEU 40 9.247 1.894 2.863 317 HA LEU 40 HA LEU 40 6.587 2.635 4.003 318 HB2 LEU 40 HB2 LEU 40 7.399 4.619 4.991 319 HB3 LEU 40 HB1 LEU 40 8.547 3.369 5.461 320 HG LEU 40 HG LEU 40 9.685 4.225 3.098 321 HD11 LEU 40 HD11 LEU 40 9.512 6.576 2.846 322 HD12 LEU 40 HD12 LEU 40 8.745 6.777 4.420 323 HD13 LEU 40 HD13 LEU 40 7.847 6.050 3.091 324 HD21 LEU 40 HD21 LEU 40 10.851 3.945 5.252 325 HD22 LEU 40 HD22 LEU 40 10.109 5.425 5.858 326 HD23 LEU 40 HD23 LEU 40 11.263 5.498 4.526 327 H LEU 41 HN LEU 41 5.471 4.221 2.897 328 HA LEU 41 HA LEU 41 6.526 4.884 0.163 329 HB2 LEU 41 HB2 LEU 41 3.638 4.562 1.026 330 HB3 LEU 41 HB1 LEU 41 4.226 4.830 -0.614 331 HG LEU 41 HG LEU 41 4.912 2.422 1.091 332 HD11 LEU 41 HD11 LEU 41 3.059 2.624 -1.301 333 HD12 LEU 41 HD12 LEU 41 2.514 2.530 0.373 334 HD13 LEU 41 HD13 LEU 41 3.391 1.179 -0.345 335 HD21 LEU 41 HD21 LEU 41 5.597 1.585 -1.282 336 HD22 LEU 41 HD22 LEU 41 6.685 2.688 -0.445 337 HD23 LEU 41 HD23 LEU 41 5.615 3.296 -1.712 338 H GLY 42 HN GLY 42 6.648 6.959 -0.349 339 HA2 GLY 42 HA2 GLY 42 6.008 8.998 1.637 340 HA3 GLY 42 HA1 GLY 42 6.776 9.271 0.078 341 H ASP 43 HN ASP 43 4.797 10.941 1.070 342 HA ASP 43 HA ASP 43 2.943 11.004 -1.137 343 HB2 ASP 43 HB2 ASP 43 1.898 9.213 0.249 344 HB3 ASP 43 HB1 ASP 43 1.780 10.355 1.587 345 H GLU 44 HN GLU 44 1.994 13.034 -1.277 346 HA GLU 44 HA GLU 44 3.223 15.206 0.083 347 HB2 GLU 44 HB2 GLU 44 1.459 16.597 -0.963 348 HB3 GLU 44 HB1 GLU 44 2.122 15.442 -2.117 349 HG2 GLU 44 HG2 GLU 44 0.213 13.922 -1.677 350 HG3 GLU 44 HG1 GLU 44 -0.462 15.104 -0.557 351 H THR 45 HN THR 45 0.712 13.108 1.067 352 HA THR 45 HA THR 45 -0.416 15.023 3.032 353 HB THR 45 HB THR 45 -2.025 13.282 3.525 354 HG1 THR 45 HG1 THR 45 -1.377 11.347 1.885 355 HG21 THR 45 HG21 THR 45 -2.261 14.541 1.362 356 HG22 THR 45 HG22 THR 45 -3.027 12.953 1.352 357 HG23 THR 45 HG23 THR 45 -1.475 13.188 0.550 358 H GLY 46 HN GLY 46 2.177 12.902 2.794 359 HA2 GLY 46 HA2 GLY 46 3.556 13.186 5.010 360 HA3 GLY 46 HA1 GLY 46 2.211 12.295 5.724 361 H ILE 47 HN ILE 47 3.624 10.575 6.279 362 HA ILE 47 HA ILE 47 4.388 8.816 3.972 363 HB ILE 47 HB ILE 47 6.332 8.058 5.293 364 HG12 ILE 47 HG12 ILE 47 5.570 10.291 7.212 365 HG13 ILE 47 HG11 ILE 47 5.391 8.570 7.550 366 HG21 ILE 47 HG21 ILE 47 6.372 11.075 5.111 367 HG22 ILE 47 HG22 ILE 47 6.396 10.041 3.685 368 HG23 ILE 47 HG23 ILE 47 7.707 9.953 4.858 369 HD11 ILE 47 HD11 ILE 47 7.837 8.270 7.224 370 HD12 ILE 47 HD12 ILE 47 7.475 9.390 8.537 371 HD13 ILE 47 HD13 ILE 47 7.998 10.008 6.971 372 H ILE 48 HN ILE 48 4.076 6.606 4.301 373 HA ILE 48 HA ILE 48 2.835 5.748 6.864 374 HB ILE 48 HB ILE 48 1.037 6.423 5.185 375 HG12 ILE 48 HG12 ILE 48 1.063 3.501 5.993 376 HG13 ILE 48 HG11 ILE 48 0.734 4.823 7.112 377 HG21 ILE 48 HG21 ILE 48 2.344 5.409 3.224 378 HG22 ILE 48 HG22 ILE 48 0.623 5.032 3.288 379 HG23 ILE 48 HG23 ILE 48 1.808 3.836 3.814 380 HD11 ILE 48 HD11 ILE 48 -1.378 3.935 6.305 381 HD12 ILE 48 HD12 ILE 48 -0.858 4.132 4.631 382 HD13 ILE 48 HD13 ILE 48 -1.142 5.551 5.639 383 H LYS 49 HN LYS 49 3.336 3.705 7.428 384 HA LYS 49 HA LYS 49 5.366 2.299 5.855 385 HB2 LYS 49 HB2 LYS 49 4.092 1.698 8.529 386 HB3 LYS 49 HB1 LYS 49 5.357 0.711 7.799 387 HG2 LYS 49 HG2 LYS 49 6.848 2.692 7.733 388 HG3 LYS 49 HG1 LYS 49 5.589 3.652 8.510 389 HD2 LYS 49 HD2 LYS 49 5.633 2.079 10.446 390 HD3 LYS 49 HD1 LYS 49 6.965 1.215 9.678 391 HE2 LYS 49 HE2 LYS 49 7.032 4.163 10.384 392 HE3 LYS 49 HE1 LYS 49 7.730 2.887 11.382 393 HZ1 LYS 49 HZ1 LYS 49 8.910 4.175 9.237 394 HZ2 LYS 49 HZ2 LYS 49 8.574 2.598 8.701 395 HZ3 LYS 49 HZ3 LYS 49 9.513 2.842 10.095 396 H PHE 50 HN PHE 50 5.155 0.049 5.248 397 HA PHE 50 HA PHE 50 2.413 -1.066 5.179 398 HB2 PHE 50 HB2 PHE 50 2.320 -1.304 2.806 399 HB3 PHE 50 HB1 PHE 50 2.738 0.378 3.116 400 HD1 PHE 50 HD1 PHE 50 5.188 1.075 2.974 401 HD2 PHE 50 HD2 PHE 50 3.760 -2.718 1.566 402 HE1 PHE 50 HE1 PHE 50 7.232 0.818 1.588 403 HE2 PHE 50 HE2 PHE 50 5.806 -2.981 0.192 404 HZ PHE 50 HZ PHE 50 7.543 -1.217 0.204 405 H THR 51 HN THR 51 2.366 -3.280 4.808 406 HA THR 51 HA THR 51 4.998 -4.710 4.713 407 HB THR 51 HB THR 51 2.632 -5.363 6.498 408 HG1 THR 51 HG1 THR 51 5.267 -4.604 7.187 409 HG21 THR 51 HG21 THR 51 3.610 -7.430 5.916 410 HG22 THR 51 HG22 THR 51 4.403 -7.001 7.432 411 HG23 THR 51 HG23 THR 51 5.239 -6.752 5.901 412 H ILE 52 HN ILE 52 5.037 -6.249 3.188 413 HA ILE 52 HA ILE 52 2.479 -6.980 1.827 414 HB ILE 52 HB ILE 52 5.353 -7.256 0.909 415 HG12 ILE 52 HG12 ILE 52 3.152 -5.396 -0.045 416 HG13 ILE 52 HG11 ILE 52 4.412 -4.919 1.092 417 HG21 ILE 52 HG21 ILE 52 4.016 -8.988 -0.101 418 HG22 ILE 52 HG22 ILE 52 4.205 -7.714 -1.305 419 HG23 ILE 52 HG23 ILE 52 2.694 -7.864 -0.408 420 HD11 ILE 52 HD11 ILE 52 4.821 -4.388 -1.395 421 HD12 ILE 52 HD12 ILE 52 5.089 -6.117 -1.597 422 HD13 ILE 52 HD13 ILE 52 6.129 -5.184 -0.521 423 H TRP 53 HN TRP 53 1.663 -8.920 2.128 424 HA TRP 53 HA TRP 53 3.149 -10.970 3.632 425 HB2 TRP 53 HB2 TRP 53 0.298 -10.780 2.630 426 HB3 TRP 53 HB1 TRP 53 0.930 -12.194 3.474 427 HD1 TRP 53 HD1 TRP 53 -0.244 -8.655 4.032 428 HE1 TRP 53 HE1 TRP 53 -0.231 -8.130 6.555 429 HE3 TRP 53 HE3 TRP 53 2.211 -12.779 5.770 430 HZ2 TRP 53 HZ2 TRP 53 0.701 -9.309 8.991 431 HZ3 TRP 53 HZ3 TRP 53 2.646 -13.055 8.194 432 HH2 TRP 53 HH2 TRP 53 1.895 -11.326 9.806 433 H LYS 54 HN LYS 54 3.784 -12.927 2.826 434 HA LYS 54 HA LYS 54 4.383 -13.140 0.026 435 HB2 LYS 54 HB2 LYS 54 4.409 -15.179 2.271 436 HB3 LYS 54 HB1 LYS 54 5.014 -15.505 0.646 437 HG2 LYS 54 HG2 LYS 54 6.644 -13.688 0.856 438 HG3 LYS 54 HG1 LYS 54 5.999 -13.264 2.438 439 HD2 LYS 54 HD2 LYS 54 7.861 -14.581 2.999 440 HD3 LYS 54 HD1 LYS 54 6.542 -15.751 3.063 441 HE2 LYS 54 HE2 LYS 54 8.500 -16.634 1.817 442 HE3 LYS 54 HE1 LYS 54 7.082 -16.503 0.782 443 HZ1 LYS 54 HZ1 LYS 54 9.387 -15.561 0.033 444 HZ2 LYS 54 HZ2 LYS 54 8.900 -14.214 0.948 445 HZ3 LYS 54 HZ3 LYS 54 7.949 -14.749 -0.355 446 H ASN 55 HN ASN 55 1.563 -13.738 1.794 447 HA ASN 55 HA ASN 55 0.446 -15.958 0.367 448 HB2 ASN 55 HB2 ASN 55 -0.770 -13.650 1.901 449 HB3 ASN 55 HB1 ASN 55 -1.768 -14.891 1.144 450 HD21 ASN 55 HD21 ASN 55 -1.697 -14.567 3.999 451 HD22 ASN 55 HD22 ASN 55 -0.960 -15.940 4.670 452 H ALA 56 HN ALA 56 0.404 -12.462 -0.226 453 HA ALA 56 HA ALA 56 -1.465 -12.476 -2.393 454 HB1 ALA 56 HB1 ALA 56 0.856 -10.551 -2.259 455 HB2 ALA 56 HB2 ALA 56 -0.438 -10.473 -1.065 456 HB3 ALA 56 HB3 ALA 56 -0.805 -10.249 -2.773 457 H GLU 57 HN GLU 57 2.021 -12.966 -2.259 458 HA GLU 57 HA GLU 57 3.549 -13.737 -3.849 459 HB2 GLU 57 HB2 GLU 57 1.008 -14.936 -5.003 460 HB3 GLU 57 HB1 GLU 57 2.635 -15.332 -5.556 461 HG2 GLU 57 HG2 GLU 57 3.232 -16.084 -3.283 462 HG3 GLU 57 HG1 GLU 57 1.611 -15.680 -2.723 463 H LEU 58 HN LEU 58 2.857 -11.119 -4.167 464 HA LEU 58 HA LEU 58 2.434 -10.802 -7.092 465 HB2 LEU 58 HB2 LEU 58 2.257 -8.633 -4.999 466 HB3 LEU 58 HB1 LEU 58 1.704 -8.559 -6.671 467 HG LEU 58 HG LEU 58 0.612 -10.484 -4.604 468 HD11 LEU 58 HD11 LEU 58 -1.435 -8.985 -4.811 469 HD12 LEU 58 HD12 LEU 58 -0.381 -7.807 -5.595 470 HD13 LEU 58 HD13 LEU 58 -0.070 -8.300 -3.929 471 HD21 LEU 58 HD21 LEU 58 -0.065 -9.846 -7.484 472 HD22 LEU 58 HD22 LEU 58 -1.251 -10.575 -6.402 473 HD23 LEU 58 HD23 LEU 58 0.250 -11.422 -6.756 474 HA PRO 59 HA PRO 59 6.629 -9.590 -7.804 475 HB2 PRO 59 HB2 PRO 59 5.589 -7.205 -9.276 476 HB3 PRO 59 HB1 PRO 59 6.672 -8.494 -9.839 477 HG2 PRO 59 HG2 PRO 59 4.119 -8.383 -10.607 478 HG3 PRO 59 HG1 PRO 59 4.935 -9.929 -10.306 479 HD2 PRO 59 HD2 PRO 59 2.937 -8.488 -8.611 480 HD3 PRO 59 HD1 PRO 59 3.176 -10.226 -8.879 481 H LEU 60 HN LEU 60 8.225 -8.228 -7.041 482 HA LEU 60 HA LEU 60 7.570 -6.514 -4.812 483 HB2 LEU 60 HB2 LEU 60 10.204 -6.788 -6.288 484 HB3 LEU 60 HB1 LEU 60 9.978 -6.112 -4.676 485 HG LEU 60 HG LEU 60 9.340 -8.969 -5.477 486 HD11 LEU 60 HD11 LEU 60 11.647 -7.718 -3.966 487 HD12 LEU 60 HD12 LEU 60 11.724 -8.717 -5.419 488 HD13 LEU 60 HD13 LEU 60 11.267 -9.437 -3.874 489 HD21 LEU 60 HD21 LEU 60 9.297 -9.120 -2.853 490 HD22 LEU 60 HD22 LEU 60 7.882 -8.491 -3.693 491 HD23 LEU 60 HD23 LEU 60 9.020 -7.379 -2.931 492 H LEU 61 HN LEU 61 7.652 -4.322 -4.634 493 HA LEU 61 HA LEU 61 7.120 -2.777 -7.044 494 HB2 LEU 61 HB2 LEU 61 7.293 -2.121 -4.101 495 HB3 LEU 61 HB1 LEU 61 7.120 -0.853 -5.311 496 HG LEU 61 HG LEU 61 5.073 -1.943 -6.165 497 HD11 LEU 61 HD11 LEU 61 5.725 -3.926 -3.980 498 HD12 LEU 61 HD12 LEU 61 5.384 -4.245 -5.681 499 HD13 LEU 61 HD13 LEU 61 4.085 -3.742 -4.601 500 HD21 LEU 61 HD21 LEU 61 3.635 -1.443 -4.213 501 HD22 LEU 61 HD22 LEU 61 4.891 -0.220 -4.405 502 HD23 LEU 61 HD23 LEU 61 5.053 -1.464 -3.165 503 H GLU 62 HN GLU 62 8.404 -1.131 -7.908 504 HA GLU 62 HA GLU 62 11.303 -1.436 -7.436 505 HB2 GLU 62 HB2 GLU 62 9.730 0.173 -9.466 506 HB3 GLU 62 HB1 GLU 62 11.489 0.114 -9.401 507 HG2 GLU 62 HG2 GLU 62 9.702 -2.315 -9.722 508 HG3 GLU 62 HG1 GLU 62 10.527 -1.499 -11.051 509 H GLN 63 HN GLN 63 12.668 0.365 -7.051 510 HA GLN 63 HA GLN 63 11.527 2.247 -5.128 511 HB2 GLN 63 HB2 GLN 63 13.832 1.012 -5.021 512 HB3 GLN 63 HB1 GLN 63 14.388 2.312 -6.072 513 HG2 GLN 63 HG2 GLN 63 13.031 2.701 -3.385 514 HG3 GLN 63 HG1 GLN 63 14.762 2.856 -3.680 515 HE21 GLN 63 HE21 GLN 63 12.486 4.887 -2.971 516 HE22 GLN 63 HE22 GLN 63 12.737 6.145 -4.081 517 H GLY 64 HN GLY 64 11.179 4.360 -5.412 518 HA2 GLY 64 HA2 GLY 64 11.268 6.504 -6.395 519 HA3 GLY 64 HA1 GLY 64 12.348 5.864 -7.635 520 H GLU 65 HN GLU 65 9.815 3.764 -7.444 521 HA GLU 65 HA GLU 65 8.426 5.092 -9.743 522 HB2 GLU 65 HB2 GLU 65 8.617 2.183 -8.928 523 HB3 GLU 65 HB1 GLU 65 7.622 2.775 -10.259 524 HG2 GLU 65 HG2 GLU 65 10.619 3.190 -10.038 525 HG3 GLU 65 HG1 GLU 65 9.854 1.935 -11.012 526 H SER 66 HN SER 66 6.226 5.247 -9.794 527 HA SER 66 HA SER 66 4.870 5.269 -7.192 528 HB2 SER 66 HB2 SER 66 4.195 6.269 -9.941 529 HB3 SER 66 HB1 SER 66 2.946 6.161 -8.703 530 HG SER 66 HG SER 66 5.040 7.248 -7.560 531 H TYR 67 HN TYR 67 3.016 4.082 -6.700 532 HA TYR 67 HA TYR 67 2.205 1.943 -8.607 533 HB2 TYR 67 HB2 TYR 67 3.206 1.528 -5.787 534 HB3 TYR 67 HB1 TYR 67 2.234 0.327 -6.639 535 HD1 TYR 67 HD2 TYR 67 3.039 -0.448 -8.948 536 HD2 TYR 67 HD1 TYR 67 5.537 1.661 -6.165 537 HE1 TYR 67 HE2 TYR 67 5.053 -1.261 -10.144 538 HE2 TYR 67 HE1 TYR 67 7.552 0.845 -7.355 539 HH TYR 67 HH TYR 67 7.789 -1.570 -9.124 540 H LEU 68 HN LEU 68 0.161 1.137 -8.282 541 HA LEU 68 HA LEU 68 -1.600 2.728 -6.462 542 HB2 LEU 68 HB2 LEU 68 -2.126 3.132 -8.807 543 HB3 LEU 68 HB1 LEU 68 -2.192 1.401 -9.128 544 HG LEU 68 HG LEU 68 -4.139 1.158 -7.689 545 HD11 LEU 68 HD11 LEU 68 -3.856 2.671 -5.917 546 HD12 LEU 68 HD12 LEU 68 -5.163 3.413 -6.835 547 HD13 LEU 68 HD13 LEU 68 -3.515 4.022 -6.996 548 HD21 LEU 68 HD21 LEU 68 -4.553 3.604 -9.424 549 HD22 LEU 68 HD22 LEU 68 -5.744 2.371 -9.010 550 HD23 LEU 68 HD23 LEU 68 -4.395 1.973 -10.075 551 H LEU 69 HN LEU 69 -2.343 1.595 -4.810 552 HA LEU 69 HA LEU 69 -2.381 -1.388 -4.939 553 HB2 LEU 69 HB2 LEU 69 -2.624 0.455 -2.540 554 HB3 LEU 69 HB1 LEU 69 -2.429 -1.296 -2.499 555 HG LEU 69 HG LEU 69 -0.424 0.662 -3.663 556 HD11 LEU 69 HD11 LEU 69 -0.509 0.767 -1.208 557 HD12 LEU 69 HD12 LEU 69 0.978 -0.019 -1.737 558 HD13 LEU 69 HD13 LEU 69 -0.359 -0.987 -1.117 559 HD21 LEU 69 HD21 LEU 69 0.994 -1.556 -3.506 560 HD22 LEU 69 HD22 LEU 69 -0.089 -1.315 -4.874 561 HD23 LEU 69 HD23 LEU 69 -0.583 -2.347 -3.531 562 H ARG 70 HN ARG 70 -4.262 -2.399 -5.108 563 HA ARG 70 HA ARG 70 -6.782 -0.939 -4.375 564 HB2 ARG 70 HB2 ARG 70 -6.166 -2.706 -6.749 565 HB3 ARG 70 HB1 ARG 70 -7.820 -2.386 -6.227 566 HG2 ARG 70 HG2 ARG 70 -7.499 0.006 -6.505 567 HG3 ARG 70 HG1 ARG 70 -5.794 -0.232 -6.877 568 HD2 ARG 70 HD2 ARG 70 -7.033 0.098 -8.955 569 HD3 ARG 70 HD1 ARG 70 -6.456 -1.567 -8.885 570 HE ARG 70 HE ARG 70 -9.115 -1.356 -7.779 571 HH11 ARG 70 HH21 ARG 70 -7.288 -1.407 -10.721 572 HH12 ARG 70 HH22 ARG 70 -8.595 -2.040 -11.664 573 HH21 ARG 70 HH11 ARG 70 -10.812 -2.176 -9.006 574 HH22 ARG 70 HH12 ARG 70 -10.582 -2.473 -10.697 575 H SER 71 HN SER 71 -7.997 -1.936 -2.950 576 HA SER 71 HA SER 71 -9.040 -3.624 -1.723 577 HB2 SER 71 HB2 SER 71 -8.674 -4.941 -3.968 578 HB3 SER 71 HB1 SER 71 -7.421 -5.771 -3.051 579 HG SER 71 HG SER 71 -8.983 -6.297 -1.506 580 H VAL 72 HN VAL 72 -7.425 -2.388 -0.269 581 HA VAL 72 HA VAL 72 -5.634 -4.426 1.021 582 HB VAL 72 HB VAL 72 -4.121 -2.562 1.660 583 HG11 VAL 72 HG11 VAL 72 -4.563 -2.752 -1.332 584 HG12 VAL 72 HG12 VAL 72 -3.740 -3.980 -0.368 585 HG13 VAL 72 HG13 VAL 72 -3.053 -2.362 -0.510 586 HG21 VAL 72 HG21 VAL 72 -5.949 -0.778 1.347 587 HG22 VAL 72 HG22 VAL 72 -5.617 -0.897 -0.380 588 HG23 VAL 72 HG23 VAL 72 -4.349 -0.377 0.726 589 H VAL 73 HN VAL 73 -5.276 -3.954 3.333 590 HA VAL 73 HA VAL 73 -7.654 -2.603 4.571 591 HB VAL 73 HB VAL 73 -7.763 -5.072 4.745 592 HG11 VAL 73 HG11 VAL 73 -6.107 -6.341 5.902 593 HG12 VAL 73 HG12 VAL 73 -5.287 -4.892 6.480 594 HG13 VAL 73 HG13 VAL 73 -5.209 -5.329 4.773 595 HG21 VAL 73 HG21 VAL 73 -8.537 -3.426 6.570 596 HG22 VAL 73 HG22 VAL 73 -7.086 -3.906 7.449 597 HG23 VAL 73 HG23 VAL 73 -8.313 -5.107 7.054 598 H VAL 74 HN VAL 74 -7.250 -1.164 6.133 599 HA VAL 74 HA VAL 74 -4.436 -0.502 6.727 600 HB VAL 74 HB VAL 74 -6.913 0.942 7.682 601 HG11 VAL 74 HG11 VAL 74 -4.840 1.555 8.815 602 HG12 VAL 74 HG12 VAL 74 -5.304 2.859 7.721 603 HG13 VAL 74 HG13 VAL 74 -4.016 1.742 7.268 604 HG21 VAL 74 HG21 VAL 74 -6.659 2.380 5.699 605 HG22 VAL 74 HG22 VAL 74 -6.939 0.712 5.203 606 HG23 VAL 74 HG23 VAL 74 -5.313 1.390 5.138 607 H GLY 75 HN GLY 75 -3.508 -1.491 8.378 608 HA2 GLY 75 HA2 GLY 75 -5.116 -2.572 10.610 609 HA3 GLY 75 HA1 GLY 75 -3.408 -2.885 10.310 610 H GLU 76 HN GLU 76 -3.988 -2.353 12.823 611 HA GLU 76 HA GLU 76 -3.531 0.553 13.322 612 HB2 GLU 76 HB2 GLU 76 -5.367 -0.551 14.566 613 HB3 GLU 76 HB1 GLU 76 -4.205 -1.683 15.261 614 HG2 GLU 76 HG2 GLU 76 -2.994 0.181 16.314 615 HG3 GLU 76 HG1 GLU 76 -4.109 1.334 15.582 616 H TYR 77 HN TYR 77 -1.501 1.159 13.523 617 HA TYR 77 HA TYR 77 0.576 -0.796 14.393 618 HB2 TYR 77 HB2 TYR 77 0.772 0.583 12.226 619 HB3 TYR 77 HB1 TYR 77 1.061 1.970 13.277 620 HD1 TYR 77 HD1 TYR 77 3.037 2.017 14.786 621 HD2 TYR 77 HD2 TYR 77 2.412 -1.160 11.967 622 HE1 TYR 77 HE1 TYR 77 5.400 1.321 15.049 623 HE2 TYR 77 HE2 TYR 77 4.776 -1.860 12.231 624 HH TYR 77 HH TYR 77 6.912 -0.255 14.575 625 H ASN 78 HN ASN 78 2.259 0.034 15.842 626 HA ASN 78 HA ASN 78 1.277 0.959 18.297 627 HB2 ASN 78 HB2 ASN 78 3.433 -0.193 18.033 628 HB3 ASN 78 HB1 ASN 78 4.095 1.213 17.203 629 HD21 ASN 78 HD21 ASN 78 3.294 -0.117 20.352 630 HD22 ASN 78 HD22 ASN 78 3.876 1.190 21.263 631 H ASP 79 HN ASP 79 0.165 2.790 18.446 632 HA ASP 79 HA ASP 79 -0.355 5.054 18.475 633 HB2 ASP 79 HB2 ASP 79 1.833 5.031 19.760 634 HB3 ASP 79 HB1 ASP 79 2.627 5.515 18.260 635 H ARG 80 HN ARG 80 0.316 3.559 15.837 636 HA ARG 80 HA ARG 80 0.004 5.976 14.149 637 HB2 ARG 80 HB2 ARG 80 2.250 3.976 13.821 638 HB3 ARG 80 HB1 ARG 80 1.735 5.056 12.528 639 HG2 ARG 80 HG2 ARG 80 2.181 7.003 13.968 640 HG3 ARG 80 HG1 ARG 80 2.697 5.927 15.264 641 HD2 ARG 80 HD2 ARG 80 4.655 6.764 14.077 642 HD3 ARG 80 HD1 ARG 80 4.479 5.032 13.792 643 HE ARG 80 HE ARG 80 3.924 5.492 11.520 644 HH11 ARG 80 HH21 ARG 80 4.122 8.359 13.456 645 HH12 ARG 80 HH22 ARG 80 4.088 9.426 12.091 646 HH21 ARG 80 HH11 ARG 80 3.883 6.876 9.755 647 HH22 ARG 80 HH12 ARG 80 3.953 8.588 10.004 648 H PHE 81 HN PHE 81 0.158 4.834 11.691 649 HA PHE 81 HA PHE 81 -1.826 2.585 11.737 650 HB2 PHE 81 HB2 PHE 81 -1.819 5.096 10.045 651 HB3 PHE 81 HB1 PHE 81 -2.801 3.681 9.668 652 HD1 PHE 81 HD2 PHE 81 -4.529 2.888 11.305 653 HD2 PHE 81 HD1 PHE 81 -2.430 6.603 11.809 654 HE1 PHE 81 HE2 PHE 81 -6.245 3.637 12.932 655 HE2 PHE 81 HE1 PHE 81 -4.148 7.351 13.435 656 HZ PHE 81 HZ PHE 81 -6.055 5.868 13.996 657 H GLN 82 HN GLN 82 -1.690 1.146 9.988 658 HA GLN 82 HA GLN 82 0.563 1.467 8.072 659 HB2 GLN 82 HB2 GLN 82 1.539 0.253 9.979 660 HB3 GLN 82 HB1 GLN 82 0.237 -0.936 9.895 661 HG2 GLN 82 HG2 GLN 82 0.943 -1.635 7.675 662 HG3 GLN 82 HG1 GLN 82 2.140 -0.346 7.613 663 HE21 GLN 82 HE21 GLN 82 4.206 -1.088 8.059 664 HE22 GLN 82 HE22 GLN 82 4.579 -2.379 9.094 665 H VAL 83 HN VAL 83 0.345 0.126 6.223 666 HA VAL 83 HA VAL 83 -2.394 -1.040 5.851 667 HB VAL 83 HB VAL 83 -2.230 -0.476 3.512 668 HG11 VAL 83 HG11 VAL 83 -2.189 1.946 3.661 669 HG12 VAL 83 HG12 VAL 83 -1.237 1.877 5.142 670 HG13 VAL 83 HG13 VAL 83 -2.905 1.306 5.139 671 HG21 VAL 83 HG21 VAL 83 0.050 -0.851 2.970 672 HG22 VAL 83 HG22 VAL 83 0.620 0.252 4.222 673 HG23 VAL 83 HG23 VAL 83 -0.168 0.887 2.776 674 H GLN 84 HN GLN 84 -2.516 -3.140 5.403 675 HA GLN 84 HA GLN 84 0.027 -4.632 4.849 676 HB2 GLN 84 HB2 GLN 84 -2.541 -5.499 6.203 677 HB3 GLN 84 HB1 GLN 84 -1.198 -6.582 5.831 678 HG2 GLN 84 HG2 GLN 84 0.312 -5.186 7.193 679 HG3 GLN 84 HG1 GLN 84 -1.025 -4.100 7.566 680 HE21 GLN 84 HE21 GLN 84 -1.505 -4.510 9.745 681 HE22 GLN 84 HE22 GLN 84 -1.767 -6.054 10.397 682 H VAL 85 HN VAL 85 0.197 -5.690 2.982 683 HA VAL 85 HA VAL 85 -2.201 -5.898 1.212 684 HB VAL 85 HB VAL 85 0.663 -6.342 0.354 685 HG11 VAL 85 HG11 VAL 85 -0.211 -5.762 -1.820 686 HG12 VAL 85 HG12 VAL 85 -1.737 -5.225 -1.116 687 HG13 VAL 85 HG13 VAL 85 -1.318 -6.937 -1.107 688 HG21 VAL 85 HG21 VAL 85 0.705 -3.927 -0.266 689 HG22 VAL 85 HG22 VAL 85 0.608 -4.159 1.479 690 HG23 VAL 85 HG23 VAL 85 -0.833 -3.707 0.568 691 H ASN 86 HN ASN 86 -3.134 -7.824 1.133 692 HA ASN 86 HA ASN 86 -1.488 -10.291 1.069 693 HB2 ASN 86 HB2 ASN 86 -3.077 -11.345 2.749 694 HB3 ASN 86 HB1 ASN 86 -1.957 -10.160 3.415 695 HD21 ASN 86 HD21 ASN 86 -3.081 -7.729 3.030 696 HD22 ASN 86 HD22 ASN 86 -4.649 -7.647 3.673 697 H LYS 87 HN LYS 87 -3.492 -12.132 1.187 698 HA LYS 87 HA LYS 87 -5.085 -13.200 -0.135 699 HB2 LYS 87 HB2 LYS 87 -6.551 -11.439 0.797 700 HB3 LYS 87 HB1 LYS 87 -6.144 -10.390 -0.555 701 HG2 LYS 87 HG2 LYS 87 -7.029 -12.094 -2.135 702 HG3 LYS 87 HG1 LYS 87 -7.475 -13.108 -0.764 703 HD2 LYS 87 HD2 LYS 87 -8.466 -10.268 -1.021 704 HD3 LYS 87 HD1 LYS 87 -9.313 -11.611 -1.787 705 HE2 LYS 87 HE2 LYS 87 -9.366 -12.735 0.494 706 HE3 LYS 87 HE1 LYS 87 -8.785 -11.215 1.170 707 HZ1 LYS 87 HZ1 LYS 87 -11.311 -11.698 -0.287 708 HZ2 LYS 87 HZ2 LYS 87 -10.715 -10.141 0.045 709 HZ3 LYS 87 HZ3 LYS 87 -11.115 -11.192 1.320 710 H ASN 88 HN ASN 88 -5.306 -10.300 -2.087 711 HA ASN 88 HA ASN 88 -3.372 -11.090 -4.073 712 HB2 ASN 88 HB2 ASN 88 -5.089 -12.853 -4.428 713 HB3 ASN 88 HB1 ASN 88 -6.296 -11.599 -4.716 714 HD21 ASN 88 HD21 ASN 88 -3.166 -12.833 -5.973 715 HD22 ASN 88 HD22 ASN 88 -3.425 -12.308 -7.565 716 H SER 89 HN SER 89 -3.822 -8.716 -2.750 717 HA SER 89 HA SER 89 -5.554 -6.821 -3.943 718 HB2 SER 89 HB2 SER 89 -4.199 -6.404 -1.900 719 HB3 SER 89 HB1 SER 89 -2.750 -6.349 -2.897 720 HG SER 89 HG SER 89 -4.931 -4.571 -2.783 721 H SER 90 HN SER 90 -5.508 -5.679 -5.808 722 HA SER 90 HA SER 90 -3.658 -6.534 -7.903 723 HB2 SER 90 HB2 SER 90 -5.742 -6.145 -8.832 724 HB3 SER 90 HB1 SER 90 -6.095 -4.813 -7.738 725 HG SER 90 HG SER 90 -3.945 -4.290 -9.306 726 H ILE 91 HN ILE 91 -2.022 -5.381 -8.805 727 HA ILE 91 HA ILE 91 -1.381 -2.689 -7.643 728 HB ILE 91 HB ILE 91 0.538 -4.965 -8.223 729 HG12 ILE 91 HG12 ILE 91 -0.096 -3.550 -5.616 730 HG13 ILE 91 HG11 ILE 91 -0.834 -5.077 -6.098 731 HG21 ILE 91 HG21 ILE 91 0.949 -2.073 -7.433 732 HG22 ILE 91 HG22 ILE 91 1.629 -2.922 -8.820 733 HG23 ILE 91 HG23 ILE 91 2.189 -3.305 -7.192 734 HD11 ILE 91 HD11 ILE 91 2.160 -4.662 -5.925 735 HD12 ILE 91 HD12 ILE 91 1.303 -6.188 -6.133 736 HD13 ILE 91 HD13 ILE 91 1.195 -5.316 -4.603 737 H GLU 92 HN GLU 92 -1.009 -1.171 -9.143 738 HA GLU 92 HA GLU 92 -0.329 -2.029 -11.937 739 HB2 GLU 92 HB2 GLU 92 -2.737 -1.326 -11.690 740 HB3 GLU 92 HB1 GLU 92 -2.160 0.266 -11.193 741 HG2 GLU 92 HG2 GLU 92 -2.610 0.376 -13.558 742 HG3 GLU 92 HG1 GLU 92 -0.862 0.378 -13.356 743 H LYS 93 HN LYS 93 1.385 -1.044 -12.749 744 HA LYS 93 HA LYS 93 2.852 0.909 -11.142 745 HB2 LYS 93 HB2 LYS 93 4.005 -0.918 -12.357 746 HB3 LYS 93 HB1 LYS 93 3.471 -0.218 -13.886 747 HG2 LYS 93 HG2 LYS 93 4.701 1.838 -13.424 748 HG3 LYS 93 HG1 LYS 93 5.159 1.236 -11.830 749 HD2 LYS 93 HD2 LYS 93 6.380 -0.633 -12.897 750 HD3 LYS 93 HD1 LYS 93 5.946 -0.001 -14.485 751 HE2 LYS 93 HE2 LYS 93 7.487 1.579 -12.408 752 HE3 LYS 93 HE1 LYS 93 8.247 0.677 -13.718 753 HZ1 LYS 93 HZ1 LYS 93 6.473 3.032 -13.893 754 HZ2 LYS 93 HZ2 LYS 93 6.706 2.003 -15.225 755 HZ3 LYS 93 HZ3 LYS 93 8.026 2.826 -14.543 756 H LEU 94 HN LEU 94 2.917 3.041 -11.435 757 HA LEU 94 HA LEU 94 1.369 4.219 -13.709 758 HB2 LEU 94 HB2 LEU 94 2.317 5.535 -11.146 759 HB3 LEU 94 HB1 LEU 94 1.198 6.212 -12.329 760 HG LEU 94 HG LEU 94 0.719 3.714 -10.675 761 HD11 LEU 94 HD11 LEU 94 0.606 5.994 -9.515 762 HD12 LEU 94 HD12 LEU 94 -0.850 5.003 -9.424 763 HD13 LEU 94 HD13 LEU 94 -0.767 6.345 -10.565 764 HD21 LEU 94 HD21 LEU 94 -0.485 3.330 -12.647 765 HD22 LEU 94 HD22 LEU 94 -0.788 5.047 -12.921 766 HD23 LEU 94 HD23 LEU 94 -1.679 4.180 -11.669 767 H SER 95 HN SER 95 2.399 5.318 -15.249 768 HA SER 95 HA SER 95 5.327 5.533 -15.174 769 HB2 SER 95 HB2 SER 95 4.455 4.884 -17.289 770 HB3 SER 95 HB1 SER 95 3.210 6.128 -17.248 771 HG SER 95 HG SER 95 6.005 6.412 -17.601 772 H GLU 96 HN GLU 96 3.037 7.299 -13.759 773 HA GLU 96 HA GLU 96 4.397 9.930 -14.286 774 HB2 GLU 96 HB2 GLU 96 1.599 9.564 -13.201 775 HB3 GLU 96 HB1 GLU 96 2.350 11.047 -13.792 776 HG2 GLU 96 HG2 GLU 96 1.616 8.612 -15.437 777 HG3 GLU 96 HG1 GLU 96 0.880 10.211 -15.524 778 HA PRO 97 HA PRO 97 5.609 8.648 -10.002 779 HB2 PRO 97 HB2 PRO 97 7.549 10.861 -10.534 780 HB3 PRO 97 HB1 PRO 97 7.846 9.232 -9.892 781 HG2 PRO 97 HG2 PRO 97 8.498 9.882 -12.398 782 HG3 PRO 97 HG1 PRO 97 7.881 8.271 -11.987 783 HD2 PRO 97 HD2 PRO 97 6.467 10.542 -13.341 784 HD3 PRO 97 HD1 PRO 97 6.308 8.793 -13.602 785 H ILE 98 HN ILE 98 5.222 9.670 -8.035 786 HA ILE 98 HA ILE 98 3.759 12.263 -8.190 787 HB ILE 98 HB ILE 98 3.915 10.187 -5.987 788 HG12 ILE 98 HG12 ILE 98 1.605 10.916 -7.810 789 HG13 ILE 98 HG11 ILE 98 2.701 9.573 -8.133 790 HG21 ILE 98 HG21 ILE 98 3.487 12.288 -4.952 791 HG22 ILE 98 HG22 ILE 98 1.904 11.536 -5.147 792 HG23 ILE 98 HG23 ILE 98 2.424 12.801 -6.261 793 HD11 ILE 98 HD11 ILE 98 2.128 8.663 -5.850 794 HD12 ILE 98 HD12 ILE 98 0.775 8.680 -6.982 795 HD13 ILE 98 HD13 ILE 98 0.891 9.914 -5.728 796 H GLU 99 HN GLU 99 4.661 14.055 -7.469 797 HA GLU 99 HA GLU 99 7.280 13.957 -6.100 798 HB2 GLU 99 HB2 GLU 99 7.033 16.530 -6.414 799 HB3 GLU 99 HB1 GLU 99 7.298 15.536 -7.844 800 HG2 GLU 99 HG2 GLU 99 4.497 16.181 -6.919 801 HG3 GLU 99 HG1 GLU 99 5.401 17.317 -7.919 802 H VAL 100 HN VAL 100 7.588 14.577 -4.017 803 HA VAL 100 HA VAL 100 5.155 15.226 -2.398 804 HB VAL 100 HB VAL 100 6.572 14.479 -0.468 805 HG11 VAL 100 HG11 VAL 100 6.387 12.458 -2.721 806 HG12 VAL 100 HG12 VAL 100 5.044 12.927 -1.678 807 HG13 VAL 100 HG13 VAL 100 6.443 12.101 -0.994 808 HG21 VAL 100 HG21 VAL 100 8.684 13.325 -0.914 809 HG22 VAL 100 HG22 VAL 100 8.780 14.972 -1.536 810 HG23 VAL 100 HG23 VAL 100 8.516 13.624 -2.644 811 H GLY 101 HN GLY 101 8.071 16.525 -3.636 812 HA2 GLY 101 HA2 GLY 101 8.260 18.641 -1.556 813 HA3 GLY 101 HA1 GLY 101 9.392 18.399 -2.888 814 H LEU 102 HN LEU 102 6.488 19.960 -1.882 815 HA LEU 102 HA LEU 102 5.841 20.951 -4.590 816 HB2 LEU 102 HB2 LEU 102 4.597 21.267 -1.852 817 HB3 LEU 102 HB1 LEU 102 4.062 22.242 -3.221 818 HG LEU 102 HG LEU 102 2.709 20.147 -2.888 819 HD11 LEU 102 HD11 LEU 102 3.374 21.316 -5.222 820 HD12 LEU 102 HD12 LEU 102 2.396 19.854 -5.155 821 HD13 LEU 102 HD13 LEU 102 4.117 19.738 -5.504 822 HD21 LEU 102 HD21 LEU 102 3.663 17.994 -3.217 823 HD22 LEU 102 HD22 LEU 102 4.804 18.825 -2.161 824 HD23 LEU 102 HD23 LEU 102 5.150 18.665 -3.884 825 H GLU 103 HN GLU 103 7.961 21.752 -2.147 826 HA GLU 103 HA GLU 103 9.189 23.683 -1.638 827 HB2 GLU 103 HB2 GLU 103 8.484 24.254 -4.538 828 HB3 GLU 103 HB1 GLU 103 9.726 25.107 -3.621 829 HG2 GLU 103 HG2 GLU 103 9.693 22.113 -4.136 830 HG3 GLU 103 HG1 GLU 103 10.685 23.278 -5.012 831 H HIS 104 HN HIS 104 6.461 23.723 -0.894 832 HA HIS 104 HA HIS 104 5.156 26.173 -1.656 833 HB2 HIS 104 HB2 HIS 104 4.191 24.009 -0.515 834 HB3 HIS 104 HB1 HIS 104 4.634 24.817 0.986 835 HD1 HIS 104 HD1 HIS 104 3.564 27.273 1.328 836 HD2 HIS 104 HD2 HIS 104 1.826 24.950 -1.666 837 HE1 HIS 104 HE1 HIS 104 1.329 28.341 0.799 838 H HIS 105 HN HIS 105 5.302 28.176 -0.850 839 HA HIS 105 HA HIS 105 7.552 28.962 0.752 840 HB2 HIS 105 HB2 HIS 105 6.462 30.460 -0.903 841 HB3 HIS 105 HB1 HIS 105 5.018 30.508 0.107 842 HD1 HIS 105 HD1 HIS 105 8.741 31.292 0.412 843 HD2 HIS 105 HD2 HIS 105 5.089 32.529 1.998 844 HE1 HIS 105 HE1 HIS 105 9.248 33.255 1.931 845 H HIS 106 HN HIS 106 4.092 28.606 1.467 846 HA HIS 106 HA HIS 106 4.157 29.565 4.153 847 HB2 HIS 106 HB2 HIS 106 2.057 29.170 2.905 848 HB3 HIS 106 HB1 HIS 106 2.367 27.435 2.940 849 HD1 HIS 106 HD1 HIS 106 1.946 30.314 5.407 850 HD2 HIS 106 HD2 HIS 106 1.356 26.192 5.200 851 HE1 HIS 106 HE1 HIS 106 0.847 29.637 7.585 852 H HIS 107 HN HIS 107 4.569 26.290 2.835 853 HA HIS 107 HA HIS 107 5.772 25.476 5.465 854 HB2 HIS 107 HB2 HIS 107 3.484 24.486 5.007 855 HB3 HIS 107 HB1 HIS 107 4.203 23.654 3.627 856 HD1 HIS 107 HD1 HIS 107 6.080 21.872 4.159 857 HD2 HIS 107 HD2 HIS 107 4.146 23.404 7.519 858 HE1 HIS 107 HE1 HIS 107 6.681 20.348 6.089 859 H HIS 108 HN HIS 108 7.773 24.745 5.305 860 HA HIS 108 HA HIS 108 8.719 23.359 2.879 861 HB2 HIS 108 HB2 HIS 108 10.703 24.874 2.695 862 HB3 HIS 108 HB1 HIS 108 9.182 25.668 2.289 863 HD1 HIS 108 HD1 HIS 108 10.777 25.024 5.708 864 HD2 HIS 108 HD2 HIS 108 9.440 28.201 3.361 865 HE1 HIS 108 HE1 HIS 108 11.023 27.113 7.120 866 H HIS 109 HN HIS 109 10.930 22.486 3.226 867 HA HIS 109 HA HIS 109 12.142 22.488 5.848 868 HB2 HIS 109 HB2 HIS 109 11.618 20.190 6.504 869 HB3 HIS 109 HB1 HIS 109 10.125 21.113 6.333 870 HD1 HIS 109 HD1 HIS 109 9.827 18.139 6.062 871 HD2 HIS 109 HD2 HIS 109 10.758 20.561 2.800 872 HE1 HIS 109 HE1 HIS 109 9.155 16.842 3.993 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -12.549 10.385 -11.927 2 H2 MET 1 HT2 MET 1 -12.804 8.776 -12.405 3 H3 MET 1 HT3 MET 1 -11.309 9.525 -12.704 4 HA MET 1 HA MET 1 -10.612 8.572 -10.835 5 HB2 MET 1 HB2 MET 1 -12.532 10.638 -9.717 6 HB3 MET 1 HB1 MET 1 -11.340 9.778 -8.742 7 HG2 MET 1 HG2 MET 1 -9.525 10.664 -10.147 8 HG3 MET 1 HG1 MET 1 -10.703 11.501 -11.159 9 HE1 MET 1 HE1 MET 1 -9.384 14.615 -9.548 10 HE2 MET 1 HE2 MET 1 -9.686 13.651 -10.991 11 HE3 MET 1 HE3 MET 1 -8.360 13.220 -9.915 12 H GLU 2 HN GLU 2 -11.946 6.633 -11.613 13 HA GLU 2 HA GLU 2 -14.404 5.988 -10.208 14 HB2 GLU 2 HB2 GLU 2 -12.751 3.781 -11.363 15 HB3 GLU 2 HB1 GLU 2 -14.471 4.113 -11.555 16 HG2 GLU 2 HG2 GLU 2 -13.753 6.152 -12.945 17 HG3 GLU 2 HG1 GLU 2 -12.147 5.423 -12.973 18 HA PRO 3 HA PRO 3 -11.140 3.193 -7.774 19 HB2 PRO 3 HB2 PRO 3 -8.983 5.273 -7.667 20 HB3 PRO 3 HB1 PRO 3 -8.842 3.506 -7.813 21 HG2 PRO 3 HG2 PRO 3 -8.418 5.017 -9.918 22 HG3 PRO 3 HG1 PRO 3 -9.365 3.527 -10.078 23 HD2 PRO 3 HD2 PRO 3 -10.356 6.364 -9.912 24 HD3 PRO 3 HD1 PRO 3 -10.872 5.056 -11.002 25 H GLN 4 HN GLN 4 -11.191 3.213 -5.530 26 HA GLN 4 HA GLN 4 -12.330 5.634 -4.275 27 HB2 GLN 4 HB2 GLN 4 -11.946 2.767 -3.390 28 HB3 GLN 4 HB1 GLN 4 -12.494 4.021 -2.277 29 HG2 GLN 4 HG2 GLN 4 -14.463 2.949 -3.179 30 HG3 GLN 4 HG1 GLN 4 -14.349 4.543 -3.919 31 HE21 GLN 4 HE21 GLN 4 -15.234 4.149 -5.993 32 HE22 GLN 4 HE22 GLN 4 -14.634 2.983 -7.071 33 H LEU 5 HN LEU 5 -10.108 6.645 -4.717 34 HA LEU 5 HA LEU 5 -7.798 5.857 -3.214 35 HB2 LEU 5 HB2 LEU 5 -8.552 8.631 -4.171 36 HB3 LEU 5 HB1 LEU 5 -6.930 8.070 -3.764 37 HG LEU 5 HG LEU 5 -8.671 6.958 -5.987 38 HD11 LEU 5 HD11 LEU 5 -7.885 9.137 -6.627 39 HD12 LEU 5 HD12 LEU 5 -6.832 7.966 -7.423 40 HD13 LEU 5 HD13 LEU 5 -6.277 8.813 -5.979 41 HD21 LEU 5 HD21 LEU 5 -7.301 5.161 -5.337 42 HD22 LEU 5 HD22 LEU 5 -5.964 6.216 -4.877 43 HD23 LEU 5 HD23 LEU 5 -6.324 5.934 -6.581 44 H THR 6 HN THR 6 -7.104 6.400 -1.199 45 HA THR 6 HA THR 6 -8.855 8.162 0.475 46 HB THR 6 HB THR 6 -7.547 5.562 1.321 47 HG1 THR 6 HG1 THR 6 -9.926 6.177 0.200 48 HG21 THR 6 HG21 THR 6 -9.212 7.627 2.774 49 HG22 THR 6 HG22 THR 6 -7.580 7.092 3.170 50 HG23 THR 6 HG23 THR 6 -8.946 5.998 3.393 51 H LYS 7 HN LYS 7 -7.762 9.695 1.563 52 HA LYS 7 HA LYS 7 -4.902 9.992 1.153 53 HB2 LYS 7 HB2 LYS 7 -6.880 11.551 2.837 54 HB3 LYS 7 HB1 LYS 7 -5.198 12.022 2.593 55 HG2 LYS 7 HG2 LYS 7 -5.569 12.124 0.159 56 HG3 LYS 7 HG1 LYS 7 -7.249 11.639 0.391 57 HD2 LYS 7 HD2 LYS 7 -7.615 13.663 1.790 58 HD3 LYS 7 HD1 LYS 7 -5.954 14.162 1.466 59 HE2 LYS 7 HE2 LYS 7 -8.018 13.657 -0.695 60 HE3 LYS 7 HE1 LYS 7 -7.643 15.251 -0.044 61 HZ1 LYS 7 HZ1 LYS 7 -5.205 14.367 -0.614 62 HZ2 LYS 7 HZ2 LYS 7 -6.154 15.252 -1.709 63 HZ3 LYS 7 HZ3 LYS 7 -6.087 13.557 -1.816 64 H ILE 8 HN ILE 8 -3.274 9.858 2.705 65 HA ILE 8 HA ILE 8 -3.532 7.817 4.686 66 HB ILE 8 HB ILE 8 -1.425 9.948 4.256 67 HG12 ILE 8 HG12 ILE 8 -1.394 6.977 3.657 68 HG13 ILE 8 HG11 ILE 8 -1.846 8.199 2.470 69 HG21 ILE 8 HG21 ILE 8 -1.206 9.263 6.542 70 HG22 ILE 8 HG22 ILE 8 -0.006 8.339 5.639 71 HG23 ILE 8 HG23 ILE 8 -1.515 7.575 6.134 72 HD11 ILE 8 HD11 ILE 8 0.520 7.628 2.210 73 HD12 ILE 8 HD12 ILE 8 0.819 8.005 3.905 74 HD13 ILE 8 HD13 ILE 8 0.369 9.288 2.784 75 H VAL 9 HN VAL 9 -3.471 11.366 4.975 76 HA VAL 9 HA VAL 9 -3.545 11.462 7.828 77 HB VAL 9 HB VAL 9 -3.054 13.411 6.341 78 HG11 VAL 9 HG11 VAL 9 -6.044 13.630 5.958 79 HG12 VAL 9 HG12 VAL 9 -5.013 12.823 4.778 80 HG13 VAL 9 HG13 VAL 9 -4.765 14.530 5.141 81 HG21 VAL 9 HG21 VAL 9 -5.398 13.841 8.220 82 HG22 VAL 9 HG22 VAL 9 -4.236 15.064 7.705 83 HG23 VAL 9 HG23 VAL 9 -3.710 13.720 8.719 84 H ASP 10 HN ASP 10 -5.973 10.712 5.484 85 HA ASP 10 HA ASP 10 -8.264 11.258 7.196 86 HB2 ASP 10 HB2 ASP 10 -8.310 11.186 4.672 87 HB3 ASP 10 HB1 ASP 10 -8.095 9.441 4.779 88 H ILE 11 HN ILE 11 -5.869 8.910 7.282 89 HA ILE 11 HA ILE 11 -7.569 6.667 8.108 90 HB ILE 11 HB ILE 11 -4.564 7.051 8.179 91 HG12 ILE 11 HG12 ILE 11 -6.281 5.317 6.383 92 HG13 ILE 11 HG11 ILE 11 -5.746 6.936 5.937 93 HG21 ILE 11 HG21 ILE 11 -6.313 4.669 8.843 94 HG22 ILE 11 HG22 ILE 11 -5.103 5.436 9.872 95 HG23 ILE 11 HG23 ILE 11 -4.599 4.519 8.452 96 HD11 ILE 11 HD11 ILE 11 -4.012 4.520 6.511 97 HD12 ILE 11 HD12 ILE 11 -3.371 6.156 6.365 98 HD13 ILE 11 HD13 ILE 11 -4.165 5.395 4.988 99 H VAL 12 HN VAL 12 -8.420 6.535 10.076 100 HA VAL 12 HA VAL 12 -6.847 7.250 12.461 101 HB VAL 12 HB VAL 12 -8.911 8.537 13.346 102 HG11 VAL 12 HG11 VAL 12 -8.090 10.635 12.433 103 HG12 VAL 12 HG12 VAL 12 -7.348 9.794 11.072 104 HG13 VAL 12 HG13 VAL 12 -6.713 9.565 12.701 105 HG21 VAL 12 HG21 VAL 12 -10.441 9.439 11.767 106 HG22 VAL 12 HG22 VAL 12 -10.280 7.750 11.294 107 HG23 VAL 12 HG23 VAL 12 -9.418 8.998 10.399 108 H GLU 13 HN GLU 13 -8.403 4.987 10.944 109 HA GLU 13 HA GLU 13 -9.599 3.837 13.427 110 HB2 GLU 13 HB2 GLU 13 -10.901 3.963 10.700 111 HB3 GLU 13 HB1 GLU 13 -11.432 2.863 11.973 112 HG2 GLU 13 HG2 GLU 13 -11.860 4.746 13.469 113 HG3 GLU 13 HG1 GLU 13 -11.243 5.873 12.265 114 H ASN 14 HN ASN 14 -9.350 1.610 13.619 115 HA ASN 14 HA ASN 14 -7.268 0.422 11.954 116 HB2 ASN 14 HB2 ASN 14 -8.809 -0.473 14.387 117 HB3 ASN 14 HB1 ASN 14 -7.696 -1.544 13.546 118 HD21 ASN 14 HD21 ASN 14 -7.157 -0.751 16.229 119 HD22 ASN 14 HD22 ASN 14 -5.802 0.270 16.230 120 H GLY 15 HN GLY 15 -7.512 -1.328 10.593 121 HA2 GLY 15 HA2 GLY 15 -8.571 -2.833 9.160 122 HA3 GLY 15 HA1 GLY 15 -9.886 -2.908 10.328 123 H GLN 16 HN GLN 16 -9.037 -1.917 7.240 124 HA GLN 16 HA GLN 16 -11.680 -0.903 6.709 125 HB2 GLN 16 HB2 GLN 16 -10.695 1.093 7.839 126 HB3 GLN 16 HB1 GLN 16 -9.448 1.145 6.592 127 HG2 GLN 16 HG2 GLN 16 -11.185 1.395 4.857 128 HG3 GLN 16 HG1 GLN 16 -12.436 1.335 6.101 129 HE21 GLN 16 HE21 GLN 16 -9.814 2.917 7.463 130 HE22 GLN 16 HE22 GLN 16 -10.269 4.518 7.127 131 H TRP 17 HN TRP 17 -12.093 -1.322 4.620 132 HA TRP 17 HA TRP 17 -9.843 -2.089 2.854 133 HB2 TRP 17 HB2 TRP 17 -12.843 -2.413 2.637 134 HB3 TRP 17 HB1 TRP 17 -11.719 -2.902 1.369 135 HD1 TRP 17 HD1 TRP 17 -13.145 -3.996 4.651 136 HE1 TRP 17 HE1 TRP 17 -12.100 -6.247 5.351 137 HE3 TRP 17 HE3 TRP 17 -9.365 -4.311 1.235 138 HZ2 TRP 17 HZ2 TRP 17 -9.944 -7.956 4.562 139 HZ3 TRP 17 HZ3 TRP 17 -7.832 -6.257 1.230 140 HH2 TRP 17 HH2 TRP 17 -8.115 -8.078 2.888 141 H ALA 18 HN ALA 18 -9.159 -0.817 1.223 142 HA ALA 18 HA ALA 18 -10.857 0.916 -0.301 143 HB1 ALA 18 HB1 ALA 18 -10.968 2.364 1.606 144 HB2 ALA 18 HB2 ALA 18 -9.823 3.099 0.485 145 HB3 ALA 18 HB3 ALA 18 -9.233 2.218 1.893 146 H ASN 19 HN ASN 19 -9.450 2.464 -1.671 147 HA ASN 19 HA ASN 19 -6.947 1.004 -2.403 148 HB2 ASN 19 HB2 ASN 19 -8.625 2.980 -3.974 149 HB3 ASN 19 HB1 ASN 19 -7.186 2.163 -4.580 150 HD21 ASN 19 HD21 ASN 19 -9.541 1.717 -5.984 151 HD22 ASN 19 HD22 ASN 19 -10.116 0.149 -5.683 152 H LEU 20 HN LEU 20 -4.989 2.104 -2.546 153 HA LEU 20 HA LEU 20 -4.967 5.012 -1.865 154 HB2 LEU 20 HB2 LEU 20 -3.284 2.880 -0.527 155 HB3 LEU 20 HB1 LEU 20 -3.109 4.619 -0.289 156 HG LEU 20 HG LEU 20 -5.770 4.379 0.235 157 HD11 LEU 20 HD11 LEU 20 -5.485 1.839 -0.128 158 HD12 LEU 20 HD12 LEU 20 -6.332 2.357 1.329 159 HD13 LEU 20 HD13 LEU 20 -4.649 1.838 1.422 160 HD21 LEU 20 HD21 LEU 20 -5.161 4.335 2.637 161 HD22 LEU 20 HD22 LEU 20 -4.113 5.418 1.720 162 HD23 LEU 20 HD23 LEU 20 -3.528 3.827 2.205 163 H LYS 21 HN LYS 21 -3.257 6.141 -2.755 164 HA LYS 21 HA LYS 21 -1.457 4.604 -4.600 165 HB2 LYS 21 HB2 LYS 21 -3.222 6.086 -5.681 166 HB3 LYS 21 HB1 LYS 21 -2.358 7.462 -4.992 167 HG2 LYS 21 HG2 LYS 21 -0.249 6.460 -6.097 168 HG3 LYS 21 HG1 LYS 21 -1.366 5.457 -7.021 169 HD2 LYS 21 HD2 LYS 21 -1.439 8.483 -6.915 170 HD3 LYS 21 HD1 LYS 21 -0.747 7.535 -8.231 171 HE2 LYS 21 HE2 LYS 21 -3.023 6.396 -8.421 172 HE3 LYS 21 HE1 LYS 21 -3.633 7.662 -7.354 173 HZ1 LYS 21 HZ1 LYS 21 -3.980 8.635 -9.363 174 HZ2 LYS 21 HZ2 LYS 21 -2.665 7.858 -10.109 175 HZ3 LYS 21 HZ3 LYS 21 -2.400 9.181 -9.075 176 H ALA 22 HN ALA 22 0.696 4.993 -4.421 177 HA ALA 22 HA ALA 22 1.750 7.444 -3.265 178 HB1 ALA 22 HB1 ALA 22 1.003 6.302 -1.197 179 HB2 ALA 22 HB2 ALA 22 2.759 6.450 -1.263 180 HB3 ALA 22 HB3 ALA 22 1.990 4.906 -1.629 181 H LYS 23 HN LYS 23 4.171 7.281 -3.035 182 HA LYS 23 HA LYS 23 5.258 5.454 -5.131 183 HB2 LYS 23 HB2 LYS 23 5.509 7.897 -5.494 184 HB3 LYS 23 HB1 LYS 23 6.444 7.998 -4.003 185 HG2 LYS 23 HG2 LYS 23 8.091 6.397 -4.934 186 HG3 LYS 23 HG1 LYS 23 7.163 6.322 -6.430 187 HD2 LYS 23 HD2 LYS 23 8.207 8.932 -5.326 188 HD3 LYS 23 HD1 LYS 23 9.180 7.918 -6.389 189 HE2 LYS 23 HE2 LYS 23 7.212 7.982 -8.026 190 HE3 LYS 23 HE1 LYS 23 6.538 9.257 -7.014 191 HZ1 LYS 23 HZ1 LYS 23 8.510 9.468 -8.975 192 HZ2 LYS 23 HZ2 LYS 23 9.223 9.845 -7.480 193 HZ3 LYS 23 HZ3 LYS 23 7.850 10.695 -8.009 194 H VAL 24 HN VAL 24 6.968 4.132 -4.710 195 HA VAL 24 HA VAL 24 7.464 3.521 -1.893 196 HB VAL 24 HB VAL 24 8.487 2.333 -4.479 197 HG11 VAL 24 HG11 VAL 24 10.231 1.909 -2.917 198 HG12 VAL 24 HG12 VAL 24 9.241 0.450 -2.895 199 HG13 VAL 24 HG13 VAL 24 9.091 1.636 -1.600 200 HG21 VAL 24 HG21 VAL 24 6.034 2.062 -3.636 201 HG22 VAL 24 HG22 VAL 24 6.735 1.028 -2.393 202 HG23 VAL 24 HG23 VAL 24 6.919 0.607 -4.094 203 H ILE 25 HN ILE 25 9.088 4.292 -0.709 204 HA ILE 25 HA ILE 25 11.236 5.868 -2.031 205 HB ILE 25 HB ILE 25 10.389 5.608 0.868 206 HG12 ILE 25 HG12 ILE 25 10.223 7.995 -0.990 207 HG13 ILE 25 HG11 ILE 25 8.885 6.873 -0.743 208 HG21 ILE 25 HG21 ILE 25 12.692 6.081 0.980 209 HG22 ILE 25 HG22 ILE 25 11.960 7.681 1.033 210 HG23 ILE 25 HG23 ILE 25 12.658 7.082 -0.471 211 HD11 ILE 25 HD11 ILE 25 8.669 7.459 1.544 212 HD12 ILE 25 HD12 ILE 25 8.922 8.997 0.719 213 HD13 ILE 25 HD13 ILE 25 10.255 8.231 1.582 214 H GLN 26 HN GLN 26 11.113 3.683 0.812 215 HA GLN 26 HA GLN 26 13.405 2.165 -0.307 216 HB2 GLN 26 HB2 GLN 26 13.425 3.701 2.288 217 HB3 GLN 26 HB1 GLN 26 14.485 2.314 2.037 218 HG2 GLN 26 HG2 GLN 26 14.360 4.699 0.168 219 HG3 GLN 26 HG1 GLN 26 15.543 4.531 1.466 220 HE21 GLN 26 HE21 GLN 26 15.398 4.190 -1.765 221 HE22 GLN 26 HE22 GLN 26 16.438 2.869 -1.991 222 H LEU 27 HN LEU 27 13.521 0.070 0.363 223 HA LEU 27 HA LEU 27 11.669 -0.896 2.465 224 HB2 LEU 27 HB2 LEU 27 11.274 -2.848 0.587 225 HB3 LEU 27 HB1 LEU 27 10.184 -1.481 0.795 226 HG LEU 27 HG LEU 27 11.492 -0.221 -0.932 227 HD11 LEU 27 HD11 LEU 27 13.040 -2.813 -0.949 228 HD12 LEU 27 HD12 LEU 27 13.652 -1.160 -0.935 229 HD13 LEU 27 HD13 LEU 27 12.947 -1.825 -2.408 230 HD21 LEU 27 HD21 LEU 27 10.641 -1.517 -2.843 231 HD22 LEU 27 HD22 LEU 27 9.465 -1.484 -1.530 232 HD23 LEU 27 HD23 LEU 27 10.441 -2.928 -1.804 233 H TRP 28 HN TRP 28 12.482 -2.643 3.562 234 HA TRP 28 HA TRP 28 15.128 -3.701 2.630 235 HB2 TRP 28 HB2 TRP 28 14.124 -3.626 5.476 236 HB3 TRP 28 HB1 TRP 28 15.759 -3.974 4.919 237 HD1 TRP 28 HD1 TRP 28 16.545 -1.748 3.095 238 HE1 TRP 28 HE1 TRP 28 16.632 0.720 3.833 239 HE3 TRP 28 HE3 TRP 28 13.409 -1.918 7.122 240 HZ2 TRP 28 HZ2 TRP 28 15.519 2.401 5.863 241 HZ3 TRP 28 HZ3 TRP 28 12.941 0.128 8.438 242 HH2 TRP 28 HH2 TRP 28 13.991 2.286 7.814 243 H GLU 29 HN GLU 29 15.520 -5.898 2.865 244 HA GLU 29 HA GLU 29 13.324 -7.650 2.380 245 HB2 GLU 29 HB2 GLU 29 15.038 -9.458 2.692 246 HB3 GLU 29 HB1 GLU 29 15.537 -8.198 1.562 247 HG2 GLU 29 HG2 GLU 29 16.803 -7.083 3.385 248 HG3 GLU 29 HG1 GLU 29 16.345 -8.386 4.481 249 H ASN 30 HN ASN 30 12.149 -8.943 3.733 250 HA ASN 30 HA ASN 30 12.776 -8.831 6.665 251 HB2 ASN 30 HB2 ASN 30 10.696 -7.582 5.847 252 HB3 ASN 30 HB1 ASN 30 10.034 -9.166 5.442 253 HD21 ASN 30 HD21 ASN 30 8.456 -9.377 7.097 254 HD22 ASN 30 HD22 ASN 30 8.832 -9.359 8.751 255 H THR 31 HN THR 31 10.629 -10.721 4.519 256 HA THR 31 HA THR 31 10.210 -13.035 4.508 257 HB THR 31 HB THR 31 12.188 -14.398 4.113 258 HG1 THR 31 HG1 THR 31 13.463 -13.631 5.806 259 HG21 THR 31 HG21 THR 31 13.258 -13.075 2.340 260 HG22 THR 31 HG22 THR 31 12.592 -11.597 3.033 261 HG23 THR 31 HG23 THR 31 11.514 -12.810 2.342 262 H HIS 32 HN HIS 32 10.526 -11.547 7.157 263 HA HIS 32 HA HIS 32 11.628 -13.332 9.100 264 HB2 HIS 32 HB2 HIS 32 11.093 -10.969 9.586 265 HB3 HIS 32 HB1 HIS 32 9.376 -11.327 9.399 266 HD1 HIS 32 HD1 HIS 32 12.333 -12.330 11.565 267 HD2 HIS 32 HD2 HIS 32 8.166 -12.337 11.694 268 HE1 HIS 32 HE1 HIS 32 11.690 -13.086 13.895 269 H GLU 33 HN GLU 33 8.245 -12.861 8.045 270 HA GLU 33 HA GLU 33 7.641 -15.663 8.172 271 HB2 GLU 33 HB2 GLU 33 7.832 -15.283 10.614 272 HB3 GLU 33 HB1 GLU 33 6.606 -14.022 10.504 273 HG2 GLU 33 HG2 GLU 33 4.962 -15.651 9.708 274 HG3 GLU 33 HG1 GLU 33 6.188 -16.918 9.714 275 H SER 34 HN SER 34 6.159 -15.782 6.607 276 HA SER 34 HA SER 34 4.363 -15.254 5.214 277 HB2 SER 34 HB2 SER 34 2.965 -15.678 7.101 278 HB3 SER 34 HB1 SER 34 3.407 -14.159 7.866 279 HG SER 34 HG SER 34 1.536 -13.670 6.926 280 H ILE 35 HN ILE 35 6.455 -12.985 6.284 281 HA ILE 35 HA ILE 35 5.135 -10.775 4.745 282 HB ILE 35 HB ILE 35 7.161 -10.633 6.991 283 HG12 ILE 35 HG12 ILE 35 4.342 -9.529 6.801 284 HG13 ILE 35 HG11 ILE 35 4.725 -11.080 7.550 285 HG21 ILE 35 HG21 ILE 35 5.989 -8.514 5.171 286 HG22 ILE 35 HG22 ILE 35 7.694 -8.893 5.412 287 HG23 ILE 35 HG23 ILE 35 6.767 -8.136 6.708 288 HD11 ILE 35 HD11 ILE 35 5.811 -8.376 8.392 289 HD12 ILE 35 HD12 ILE 35 6.269 -9.920 9.113 290 HD13 ILE 35 HD13 ILE 35 4.613 -9.333 9.264 291 H SER 36 HN SER 36 6.116 -10.154 2.940 292 HA SER 36 HA SER 36 8.606 -11.459 2.094 293 HB2 SER 36 HB2 SER 36 6.713 -11.121 0.516 294 HB3 SER 36 HB1 SER 36 6.888 -9.381 0.714 295 HG SER 36 HG SER 36 8.985 -11.088 -0.135 296 H GLN 37 HN GLN 37 7.583 -8.038 1.917 297 HA GLN 37 HA GLN 37 10.239 -7.246 3.040 298 HB2 GLN 37 HB2 GLN 37 8.980 -6.119 0.526 299 HB3 GLN 37 HB1 GLN 37 10.447 -5.512 1.295 300 HG2 GLN 37 HG2 GLN 37 11.474 -7.772 1.008 301 HG3 GLN 37 HG1 GLN 37 10.038 -8.277 0.126 302 HE21 GLN 37 HE21 GLN 37 10.369 -5.071 -0.661 303 HE22 GLN 37 HE22 GLN 37 11.321 -5.220 -2.058 304 H VAL 38 HN VAL 38 10.268 -5.006 3.786 305 HA VAL 38 HA VAL 38 7.584 -3.800 4.262 306 HB VAL 38 HB VAL 38 7.972 -5.092 6.267 307 HG11 VAL 38 HG11 VAL 38 9.992 -5.059 7.522 308 HG12 VAL 38 HG12 VAL 38 10.616 -3.672 6.634 309 HG13 VAL 38 HG13 VAL 38 10.502 -5.244 5.847 310 HG21 VAL 38 HG21 VAL 38 7.872 -3.352 7.902 311 HG22 VAL 38 HG22 VAL 38 7.192 -2.667 6.427 312 HG23 VAL 38 HG23 VAL 38 8.841 -2.266 6.907 313 H GLY 39 HN GLY 39 7.634 -1.560 4.379 314 HA2 GLY 39 HA2 GLY 39 10.097 -0.067 4.726 315 HA3 GLY 39 HA1 GLY 39 9.616 -0.144 3.032 316 H LEU 40 HN LEU 40 9.244 2.113 3.001 317 HA LEU 40 HA LEU 40 6.651 2.908 4.261 318 HB2 LEU 40 HB2 LEU 40 7.711 5.242 4.433 319 HB3 LEU 40 HB1 LEU 40 8.222 4.040 5.616 320 HG LEU 40 HG LEU 40 9.796 4.176 3.063 321 HD11 LEU 40 HD11 LEU 40 11.225 5.994 4.163 322 HD12 LEU 40 HD12 LEU 40 9.839 6.301 5.211 323 HD13 LEU 40 HD13 LEU 40 9.691 6.518 3.467 324 HD21 LEU 40 HD21 LEU 40 10.849 4.063 5.895 325 HD22 LEU 40 HD22 LEU 40 11.568 3.409 4.424 326 HD23 LEU 40 HD23 LEU 40 10.161 2.627 5.142 327 H LEU 41 HN LEU 41 5.424 4.396 3.061 328 HA LEU 41 HA LEU 41 6.265 4.686 0.197 329 HB2 LEU 41 HB2 LEU 41 3.456 4.623 1.324 330 HB3 LEU 41 HB1 LEU 41 3.916 4.631 -0.378 331 HG LEU 41 HG LEU 41 4.602 2.453 1.612 332 HD11 LEU 41 HD11 LEU 41 2.581 2.598 -0.639 333 HD12 LEU 41 HD12 LEU 41 2.249 2.365 1.078 334 HD13 LEU 41 HD13 LEU 41 3.056 1.097 0.156 335 HD21 LEU 41 HD21 LEU 41 5.306 2.937 -1.279 336 HD22 LEU 41 HD22 LEU 41 5.170 1.286 -0.674 337 HD23 LEU 41 HD23 LEU 41 6.345 2.388 0.039 338 H GLY 42 HN GLY 42 6.497 6.679 -0.537 339 HA2 GLY 42 HA2 GLY 42 5.969 8.964 1.224 340 HA3 GLY 42 HA1 GLY 42 6.807 9.012 -0.322 341 H ASP 43 HN ASP 43 4.682 10.772 0.621 342 HA ASP 43 HA ASP 43 3.116 10.878 -1.767 343 HB2 ASP 43 HB2 ASP 43 1.932 8.968 -0.789 344 HB3 ASP 43 HB1 ASP 43 1.664 9.876 0.699 345 H GLU 44 HN GLU 44 1.815 12.747 -1.842 346 HA GLU 44 HA GLU 44 2.764 15.019 -0.480 347 HB2 GLU 44 HB2 GLU 44 1.484 15.019 -2.624 348 HB3 GLU 44 HB1 GLU 44 0.024 14.634 -1.716 349 HG2 GLU 44 HG2 GLU 44 0.200 16.717 -0.466 350 HG3 GLU 44 HG1 GLU 44 1.735 17.092 -1.249 351 H THR 45 HN THR 45 0.567 12.621 0.653 352 HA THR 45 HA THR 45 -0.612 14.435 2.684 353 HB THR 45 HB THR 45 -1.968 12.487 3.323 354 HG1 THR 45 HG1 THR 45 -1.656 10.543 2.274 355 HG21 THR 45 HG21 THR 45 -2.834 13.809 1.506 356 HG22 THR 45 HG22 THR 45 -3.077 12.113 1.083 357 HG23 THR 45 HG23 THR 45 -1.756 13.024 0.351 358 H GLY 46 HN GLY 46 2.219 12.774 2.338 359 HA2 GLY 46 HA2 GLY 46 3.704 13.063 4.391 360 HA3 GLY 46 HA1 GLY 46 2.442 12.222 5.285 361 H ILE 47 HN ILE 47 3.886 10.568 5.882 362 HA ILE 47 HA ILE 47 4.579 8.644 3.692 363 HB ILE 47 HB ILE 47 6.570 8.006 5.015 364 HG12 ILE 47 HG12 ILE 47 5.827 10.368 6.780 365 HG13 ILE 47 HG11 ILE 47 5.670 8.675 7.250 366 HG21 ILE 47 HG21 ILE 47 6.427 10.988 4.481 367 HG22 ILE 47 HG22 ILE 47 6.734 9.753 3.262 368 HG23 ILE 47 HG23 ILE 47 7.894 10.013 4.559 369 HD11 ILE 47 HD11 ILE 47 8.111 8.370 6.884 370 HD12 ILE 47 HD12 ILE 47 7.771 9.580 8.122 371 HD13 ILE 47 HD13 ILE 47 8.249 10.086 6.500 372 H ILE 48 HN ILE 48 4.391 6.413 4.275 373 HA ILE 48 HA ILE 48 3.230 5.790 6.931 374 HB ILE 48 HB ILE 48 1.287 6.339 5.470 375 HG12 ILE 48 HG12 ILE 48 1.407 3.361 5.994 376 HG13 ILE 48 HG11 ILE 48 1.298 4.534 7.305 377 HG21 ILE 48 HG21 ILE 48 2.089 3.884 3.888 378 HG22 ILE 48 HG22 ILE 48 2.475 5.522 3.360 379 HG23 ILE 48 HG23 ILE 48 0.792 5.023 3.529 380 HD11 ILE 48 HD11 ILE 48 -0.648 4.474 4.990 381 HD12 ILE 48 HD12 ILE 48 -0.798 5.372 6.500 382 HD13 ILE 48 HD13 ILE 48 -0.925 3.613 6.504 383 H LYS 49 HN LYS 49 3.374 3.583 7.471 384 HA LYS 49 HA LYS 49 5.499 2.138 6.049 385 HB2 LYS 49 HB2 LYS 49 3.952 1.496 8.564 386 HB3 LYS 49 HB1 LYS 49 5.301 0.544 7.942 387 HG2 LYS 49 HG2 LYS 49 6.528 1.915 9.343 388 HG3 LYS 49 HG1 LYS 49 6.479 2.997 7.955 389 HD2 LYS 49 HD2 LYS 49 5.729 4.427 9.639 390 HD3 LYS 49 HD1 LYS 49 4.193 3.794 9.048 391 HE2 LYS 49 HE2 LYS 49 4.265 3.696 11.502 392 HE3 LYS 49 HE1 LYS 49 4.243 2.066 10.826 393 HZ1 LYS 49 HZ1 LYS 49 6.275 1.643 11.600 394 HZ2 LYS 49 HZ2 LYS 49 6.058 2.998 12.602 395 HZ3 LYS 49 HZ3 LYS 49 6.886 3.152 11.126 396 H PHE 50 HN PHE 50 5.260 0.095 5.108 397 HA PHE 50 HA PHE 50 2.513 -1.019 4.912 398 HB2 PHE 50 HB2 PHE 50 2.479 -1.040 2.540 399 HB3 PHE 50 HB1 PHE 50 3.003 0.588 2.967 400 HD1 PHE 50 HD1 PHE 50 5.594 0.984 3.108 401 HD2 PHE 50 HD2 PHE 50 3.780 -2.344 1.082 402 HE1 PHE 50 HE1 PHE 50 7.661 0.660 1.770 403 HE2 PHE 50 HE2 PHE 50 5.850 -2.668 -0.240 404 HZ PHE 50 HZ PHE 50 7.789 -1.166 0.104 405 H THR 51 HN THR 51 2.525 -3.215 4.073 406 HA THR 51 HA THR 51 5.176 -4.566 4.041 407 HB THR 51 HB THR 51 4.522 -4.834 6.333 408 HG1 THR 51 HG1 THR 51 3.926 -7.149 6.268 409 HG21 THR 51 HG21 THR 51 2.310 -5.669 6.980 410 HG22 THR 51 HG22 THR 51 1.827 -5.740 5.286 411 HG23 THR 51 HG23 THR 51 2.152 -4.181 6.046 412 H ILE 52 HN ILE 52 5.217 -6.344 2.704 413 HA ILE 52 HA ILE 52 2.748 -6.845 1.107 414 HB ILE 52 HB ILE 52 5.657 -7.396 0.479 415 HG12 ILE 52 HG12 ILE 52 3.734 -5.398 -0.753 416 HG13 ILE 52 HG11 ILE 52 4.872 -4.981 0.528 417 HG21 ILE 52 HG21 ILE 52 4.281 -9.040 -0.623 418 HG22 ILE 52 HG22 ILE 52 4.696 -7.823 -1.829 419 HG23 ILE 52 HG23 ILE 52 3.097 -7.820 -1.085 420 HD11 ILE 52 HD11 ILE 52 6.757 -5.599 -0.874 421 HD12 ILE 52 HD12 ILE 52 5.736 -4.469 -1.764 422 HD13 ILE 52 HD13 ILE 52 5.672 -6.193 -2.132 423 H TRP 53 HN TRP 53 1.703 -8.676 1.474 424 HA TRP 53 HA TRP 53 2.990 -10.837 3.028 425 HB2 TRP 53 HB2 TRP 53 0.139 -10.417 2.080 426 HB3 TRP 53 HB1 TRP 53 0.671 -11.781 3.063 427 HD1 TRP 53 HD1 TRP 53 0.812 -7.909 3.225 428 HE1 TRP 53 HE1 TRP 53 0.527 -7.200 5.689 429 HE3 TRP 53 HE3 TRP 53 0.537 -12.502 5.436 430 HZ2 TRP 53 HZ2 TRP 53 0.217 -8.424 8.257 431 HZ3 TRP 53 HZ3 TRP 53 0.244 -12.703 7.889 432 HH2 TRP 53 HH2 TRP 53 0.083 -10.672 9.301 433 H LYS 54 HN LYS 54 3.522 -12.793 2.157 434 HA LYS 54 HA LYS 54 3.729 -13.069 -0.713 435 HB2 LYS 54 HB2 LYS 54 4.109 -15.021 1.569 436 HB3 LYS 54 HB1 LYS 54 4.450 -15.414 -0.114 437 HG2 LYS 54 HG2 LYS 54 6.101 -13.610 -0.235 438 HG3 LYS 54 HG1 LYS 54 5.709 -13.112 1.409 439 HD2 LYS 54 HD2 LYS 54 7.672 -14.426 1.643 440 HD3 LYS 54 HD1 LYS 54 6.358 -15.503 2.112 441 HE2 LYS 54 HE2 LYS 54 6.402 -16.617 -0.022 442 HE3 LYS 54 HE1 LYS 54 7.490 -15.407 -0.700 443 HZ1 LYS 54 HZ1 LYS 54 9.244 -16.155 0.633 444 HZ2 LYS 54 HZ2 LYS 54 8.514 -17.569 0.035 445 HZ3 LYS 54 HZ3 LYS 54 8.224 -17.069 1.633 446 H ASN 55 HN ASN 55 1.204 -13.545 1.467 447 HA ASN 55 HA ASN 55 -0.135 -15.834 0.416 448 HB2 ASN 55 HB2 ASN 55 -1.071 -13.340 1.835 449 HB3 ASN 55 HB1 ASN 55 -2.210 -14.585 1.328 450 HD21 ASN 55 HD21 ASN 55 -0.633 -16.911 1.848 451 HD22 ASN 55 HD22 ASN 55 -0.372 -17.020 3.521 452 H ALA 56 HN ALA 56 -0.267 -12.405 -0.497 453 HA ALA 56 HA ALA 56 -2.275 -12.856 -2.569 454 HB1 ALA 56 HB1 ALA 56 -0.521 -10.520 -1.796 455 HB2 ALA 56 HB2 ALA 56 -2.266 -10.678 -1.602 456 HB3 ALA 56 HB3 ALA 56 -1.573 -10.463 -3.210 457 H GLU 57 HN GLU 57 1.052 -13.367 -2.303 458 HA GLU 57 HA GLU 57 2.732 -13.869 -3.844 459 HB2 GLU 57 HB2 GLU 57 0.264 -14.595 -5.450 460 HB3 GLU 57 HB1 GLU 57 1.909 -14.933 -5.996 461 HG2 GLU 57 HG2 GLU 57 2.340 -16.259 -3.989 462 HG3 GLU 57 HG1 GLU 57 0.742 -15.867 -3.356 463 H LEU 58 HN LEU 58 2.805 -11.349 -3.714 464 HA LEU 58 HA LEU 58 2.326 -10.170 -6.415 465 HB2 LEU 58 HB2 LEU 58 2.985 -8.685 -3.868 466 HB3 LEU 58 HB1 LEU 58 2.341 -8.020 -5.369 467 HG LEU 58 HG LEU 58 0.898 -10.015 -3.599 468 HD11 LEU 58 HD11 LEU 58 -0.586 -8.064 -3.111 469 HD12 LEU 58 HD12 LEU 58 0.548 -7.028 -3.978 470 HD13 LEU 58 HD13 LEU 58 1.055 -7.848 -2.500 471 HD21 LEU 58 HD21 LEU 58 0.101 -10.316 -5.818 472 HD22 LEU 58 HD22 LEU 58 0.210 -8.592 -6.179 473 HD23 LEU 58 HD23 LEU 58 -1.048 -9.190 -5.101 474 HA PRO 59 HA PRO 59 6.738 -10.125 -7.043 475 HB2 PRO 59 HB2 PRO 59 6.939 -8.199 -8.957 476 HB3 PRO 59 HB1 PRO 59 6.217 -9.790 -9.276 477 HG2 PRO 59 HG2 PRO 59 4.861 -7.192 -8.669 478 HG3 PRO 59 HG1 PRO 59 4.474 -8.394 -9.913 479 HD2 PRO 59 HD2 PRO 59 3.119 -8.267 -7.551 480 HD3 PRO 59 HD1 PRO 59 3.393 -9.798 -8.411 481 H LEU 60 HN LEU 60 8.645 -8.737 -6.839 482 HA LEU 60 HA LEU 60 8.481 -6.950 -4.598 483 HB2 LEU 60 HB2 LEU 60 10.745 -7.280 -6.580 484 HB3 LEU 60 HB1 LEU 60 10.867 -6.605 -4.955 485 HG LEU 60 HG LEU 60 10.031 -9.443 -5.634 486 HD11 LEU 60 HD11 LEU 60 12.528 -8.477 -4.219 487 HD12 LEU 60 HD12 LEU 60 12.474 -8.838 -5.944 488 HD13 LEU 60 HD13 LEU 60 12.169 -10.115 -4.766 489 HD21 LEU 60 HD21 LEU 60 10.149 -7.865 -3.067 490 HD22 LEU 60 HD22 LEU 60 10.454 -9.602 -3.031 491 HD23 LEU 60 HD23 LEU 60 8.912 -8.992 -3.624 492 H LEU 61 HN LEU 61 8.604 -4.745 -4.484 493 HA LEU 61 HA LEU 61 7.795 -3.274 -6.916 494 HB2 LEU 61 HB2 LEU 61 7.805 -2.690 -3.963 495 HB3 LEU 61 HB1 LEU 61 7.595 -1.383 -5.127 496 HG LEU 61 HG LEU 61 5.673 -2.558 -6.117 497 HD11 LEU 61 HD11 LEU 61 6.180 -4.856 -5.797 498 HD12 LEU 61 HD12 LEU 61 4.789 -4.560 -4.757 499 HD13 LEU 61 HD13 LEU 61 6.407 -4.649 -4.061 500 HD21 LEU 61 HD21 LEU 61 4.183 -2.512 -4.029 501 HD22 LEU 61 HD22 LEU 61 5.081 -1.036 -4.380 502 HD23 LEU 61 HD23 LEU 61 5.648 -2.134 -3.122 503 H GLU 62 HN GLU 62 9.048 -1.785 -7.929 504 HA GLU 62 HA GLU 62 11.896 -1.701 -7.269 505 HB2 GLU 62 HB2 GLU 62 10.243 -0.429 -9.457 506 HB3 GLU 62 HB1 GLU 62 11.989 -0.209 -9.312 507 HG2 GLU 62 HG2 GLU 62 12.329 -2.630 -9.471 508 HG3 GLU 62 HG1 GLU 62 10.587 -2.888 -9.544 509 H GLN 63 HN GLN 63 13.056 0.128 -6.675 510 HA GLN 63 HA GLN 63 11.611 2.044 -5.023 511 HB2 GLN 63 HB2 GLN 63 14.536 1.726 -5.717 512 HB3 GLN 63 HB1 GLN 63 13.923 2.938 -4.593 513 HG2 GLN 63 HG2 GLN 63 13.007 1.210 -3.152 514 HG3 GLN 63 HG1 GLN 63 13.456 -0.043 -4.309 515 HE21 GLN 63 HE21 GLN 63 14.487 1.350 -1.458 516 HE22 GLN 63 HE22 GLN 63 16.147 1.029 -1.578 517 H GLY 64 HN GLY 64 11.281 4.193 -5.410 518 HA2 GLY 64 HA2 GLY 64 11.340 6.259 -6.535 519 HA3 GLY 64 HA1 GLY 64 12.549 5.598 -7.634 520 H GLU 65 HN GLU 65 9.378 4.164 -6.993 521 HA GLU 65 HA GLU 65 8.424 5.080 -9.660 522 HB2 GLU 65 HB2 GLU 65 8.643 2.192 -8.791 523 HB3 GLU 65 HB1 GLU 65 7.654 2.725 -10.151 524 HG2 GLU 65 HG2 GLU 65 9.656 3.745 -11.192 525 HG3 GLU 65 HG1 GLU 65 10.638 3.167 -9.847 526 H SER 66 HN SER 66 6.228 5.287 -9.815 527 HA SER 66 HA SER 66 4.752 5.385 -7.304 528 HB2 SER 66 HB2 SER 66 2.989 6.405 -8.622 529 HB3 SER 66 HB1 SER 66 4.536 7.127 -9.051 530 HG SER 66 HG SER 66 3.310 6.550 -10.895 531 H TYR 67 HN TYR 67 3.017 4.105 -6.715 532 HA TYR 67 HA TYR 67 2.249 1.871 -8.537 533 HB2 TYR 67 HB2 TYR 67 3.110 1.614 -5.648 534 HB3 TYR 67 HB1 TYR 67 2.323 0.331 -6.565 535 HD1 TYR 67 HD2 TYR 67 3.418 -0.517 -8.685 536 HD2 TYR 67 HD1 TYR 67 5.435 2.037 -5.888 537 HE1 TYR 67 HE2 TYR 67 5.600 -1.174 -9.662 538 HE2 TYR 67 HE1 TYR 67 7.619 1.381 -6.858 539 HH TYR 67 HH TYR 67 7.969 -1.257 -8.973 540 H LEU 68 HN LEU 68 0.136 1.274 -8.381 541 HA LEU 68 HA LEU 68 -1.581 2.864 -6.524 542 HB2 LEU 68 HB2 LEU 68 -2.092 3.283 -8.873 543 HB3 LEU 68 HB1 LEU 68 -2.205 1.556 -9.190 544 HG LEU 68 HG LEU 68 -4.158 1.365 -7.760 545 HD11 LEU 68 HD11 LEU 68 -3.467 4.216 -7.060 546 HD12 LEU 68 HD12 LEU 68 -3.840 2.869 -5.983 547 HD13 LEU 68 HD13 LEU 68 -5.128 3.641 -6.903 548 HD21 LEU 68 HD21 LEU 68 -4.558 2.053 -10.077 549 HD22 LEU 68 HD22 LEU 68 -4.343 3.745 -9.631 550 HD23 LEU 68 HD23 LEU 68 -5.721 2.838 -9.010 551 H LEU 69 HN LEU 69 -2.134 1.679 -4.801 552 HA LEU 69 HA LEU 69 -2.399 -1.279 -5.049 553 HB2 LEU 69 HB2 LEU 69 -2.441 0.440 -2.557 554 HB3 LEU 69 HB1 LEU 69 -2.288 -1.314 -2.635 555 HG LEU 69 HG LEU 69 -0.181 -0.626 -4.220 556 HD11 LEU 69 HD11 LEU 69 -0.546 1.798 -3.919 557 HD12 LEU 69 HD12 LEU 69 0.989 1.299 -3.210 558 HD13 LEU 69 HD13 LEU 69 -0.405 1.604 -2.173 559 HD21 LEU 69 HD21 LEU 69 1.254 -0.927 -2.219 560 HD22 LEU 69 HD22 LEU 69 -0.059 -2.104 -2.264 561 HD23 LEU 69 HD23 LEU 69 -0.160 -0.712 -1.186 562 H ARG 70 HN ARG 70 -4.373 -2.210 -4.991 563 HA ARG 70 HA ARG 70 -6.701 -0.553 -4.111 564 HB2 ARG 70 HB2 ARG 70 -6.547 -2.448 -6.460 565 HB3 ARG 70 HB1 ARG 70 -8.031 -1.693 -5.877 566 HG2 ARG 70 HG2 ARG 70 -7.098 0.532 -6.297 567 HG3 ARG 70 HG1 ARG 70 -5.570 -0.187 -6.803 568 HD2 ARG 70 HD2 ARG 70 -6.871 0.383 -8.785 569 HD3 ARG 70 HD1 ARG 70 -6.787 -1.373 -8.641 570 HE ARG 70 HE ARG 70 -9.140 -0.392 -7.318 571 HH11 ARG 70 HH21 ARG 70 -7.739 -0.946 -10.427 572 HH12 ARG 70 HH22 ARG 70 -9.263 -1.176 -11.212 573 HH21 ARG 70 HH11 ARG 70 -11.126 -0.686 -8.334 574 HH22 ARG 70 HH12 ARG 70 -11.179 -1.029 -10.031 575 H SER 71 HN SER 71 -8.359 -1.622 -3.089 576 HA SER 71 HA SER 71 -9.322 -3.175 -1.667 577 HB2 SER 71 HB2 SER 71 -9.755 -4.584 -3.503 578 HB3 SER 71 HB1 SER 71 -8.056 -4.966 -3.740 579 HG SER 71 HG SER 71 -9.809 -6.327 -2.372 580 H VAL 72 HN VAL 72 -7.265 -2.072 -0.457 581 HA VAL 72 HA VAL 72 -5.669 -4.327 0.719 582 HB VAL 72 HB VAL 72 -4.102 -2.508 1.486 583 HG11 VAL 72 HG11 VAL 72 -4.493 -2.603 -1.515 584 HG12 VAL 72 HG12 VAL 72 -3.787 -3.923 -0.584 585 HG13 VAL 72 HG13 VAL 72 -2.983 -2.356 -0.639 586 HG21 VAL 72 HG21 VAL 72 -5.801 -0.658 1.246 587 HG22 VAL 72 HG22 VAL 72 -5.647 -0.817 -0.506 588 HG23 VAL 72 HG23 VAL 72 -4.258 -0.316 0.461 589 H VAL 73 HN VAL 73 -5.252 -4.139 3.039 590 HA VAL 73 HA VAL 73 -7.556 -2.866 4.466 591 HB VAL 73 HB VAL 73 -7.462 -5.376 4.471 592 HG11 VAL 73 HG11 VAL 73 -4.903 -5.408 4.568 593 HG12 VAL 73 HG12 VAL 73 -5.734 -6.533 5.642 594 HG13 VAL 73 HG13 VAL 73 -5.063 -5.034 6.283 595 HG21 VAL 73 HG21 VAL 73 -8.496 -3.961 6.298 596 HG22 VAL 73 HG22 VAL 73 -6.995 -4.157 7.202 597 HG23 VAL 73 HG23 VAL 73 -7.981 -5.566 6.814 598 H VAL 74 HN VAL 74 -7.139 -1.480 6.074 599 HA VAL 74 HA VAL 74 -4.376 -0.633 6.517 600 HB VAL 74 HB VAL 74 -6.886 0.366 7.872 601 HG11 VAL 74 HG11 VAL 74 -4.278 1.778 7.255 602 HG12 VAL 74 HG12 VAL 74 -4.611 0.996 8.799 603 HG13 VAL 74 HG13 VAL 74 -5.595 2.361 8.272 604 HG21 VAL 74 HG21 VAL 74 -6.740 2.154 6.049 605 HG22 VAL 74 HG22 VAL 74 -7.284 0.565 5.513 606 HG23 VAL 74 HG23 VAL 74 -5.624 1.075 5.210 607 H GLY 75 HN GLY 75 -3.120 -1.539 8.010 608 HA2 GLY 75 HA2 GLY 75 -4.323 -3.127 10.203 609 HA3 GLY 75 HA1 GLY 75 -2.626 -3.134 9.726 610 H GLU 76 HN GLU 76 -3.138 -2.935 12.362 611 HA GLU 76 HA GLU 76 -2.945 -0.047 13.077 612 HB2 GLU 76 HB2 GLU 76 -3.440 -0.769 15.358 613 HB3 GLU 76 HB1 GLU 76 -4.645 -1.423 14.251 614 HG2 GLU 76 HG2 GLU 76 -3.312 -3.562 14.175 615 HG3 GLU 76 HG1 GLU 76 -2.276 -2.897 15.438 616 H TYR 77 HN TYR 77 -1.069 0.799 13.814 617 HA TYR 77 HA TYR 77 1.111 -1.047 14.677 618 HB2 TYR 77 HB2 TYR 77 1.393 -0.351 12.248 619 HB3 TYR 77 HB1 TYR 77 1.567 1.307 12.827 620 HD1 TYR 77 HD2 TYR 77 2.878 -2.130 13.589 621 HD2 TYR 77 HD1 TYR 77 3.736 2.068 13.282 622 HE1 TYR 77 HE2 TYR 77 5.253 -2.577 14.125 623 HE2 TYR 77 HE1 TYR 77 6.115 1.619 13.818 624 HH TYR 77 HH TYR 77 7.442 -0.128 14.968 625 H ASN 78 HN ASN 78 0.913 -0.432 16.795 626 HA ASN 78 HA ASN 78 0.905 0.957 18.683 627 HB2 ASN 78 HB2 ASN 78 2.901 2.399 18.798 628 HB3 ASN 78 HB1 ASN 78 3.285 0.822 18.114 629 HD21 ASN 78 HD21 ASN 78 4.585 0.969 16.302 630 HD22 ASN 78 HD22 ASN 78 4.585 2.254 15.194 631 H ASP 79 HN ASP 79 2.022 3.833 18.239 632 HA ASP 79 HA ASP 79 -0.570 5.121 18.227 633 HB2 ASP 79 HB2 ASP 79 2.264 6.187 18.178 634 HB3 ASP 79 HB1 ASP 79 0.846 7.231 18.256 635 H ARG 80 HN ARG 80 1.373 3.986 15.751 636 HA ARG 80 HA ARG 80 0.376 6.041 13.810 637 HB2 ARG 80 HB2 ARG 80 2.720 4.137 13.684 638 HB3 ARG 80 HB1 ARG 80 2.153 5.068 12.297 639 HG2 ARG 80 HG2 ARG 80 2.492 7.162 13.561 640 HG3 ARG 80 HG1 ARG 80 3.060 6.233 14.946 641 HD2 ARG 80 HD2 ARG 80 4.359 6.103 12.212 642 HD3 ARG 80 HD1 ARG 80 4.906 7.175 13.499 643 HE ARG 80 HE ARG 80 4.788 4.569 14.585 644 HH11 ARG 80 HH21 ARG 80 6.464 6.345 12.138 645 HH12 ARG 80 HH22 ARG 80 7.904 5.390 12.256 646 HH21 ARG 80 HH11 ARG 80 6.657 3.328 14.743 647 HH22 ARG 80 HH12 ARG 80 8.013 3.685 13.726 648 H PHE 81 HN PHE 81 0.248 4.891 11.512 649 HA PHE 81 HA PHE 81 -1.305 2.343 11.809 650 HB2 PHE 81 HB2 PHE 81 -2.011 4.738 10.095 651 HB3 PHE 81 HB1 PHE 81 -2.878 3.203 10.112 652 HD1 PHE 81 HD1 PHE 81 -3.964 2.420 12.254 653 HD2 PHE 81 HD2 PHE 81 -2.394 6.388 11.773 654 HE1 PHE 81 HE1 PHE 81 -5.290 3.180 14.206 655 HE2 PHE 81 HE2 PHE 81 -3.720 7.150 13.726 656 HZ PHE 81 HZ PHE 81 -5.168 5.545 14.942 657 H GLN 82 HN GLN 82 -1.294 1.001 9.923 658 HA GLN 82 HA GLN 82 0.675 1.733 7.802 659 HB2 GLN 82 HB2 GLN 82 1.722 -0.494 7.971 660 HB3 GLN 82 HB1 GLN 82 1.914 0.413 9.469 661 HG2 GLN 82 HG2 GLN 82 -0.041 -0.786 10.425 662 HG3 GLN 82 HG1 GLN 82 -0.171 -1.729 8.939 663 HE21 GLN 82 HE21 GLN 82 2.973 -1.585 8.862 664 HE22 GLN 82 HE22 GLN 82 3.428 -2.826 9.926 665 H VAL 83 HN VAL 83 0.501 0.297 5.913 666 HA VAL 83 HA VAL 83 -2.283 -0.739 5.562 667 HB VAL 83 HB VAL 83 -2.075 -0.205 3.216 668 HG11 VAL 83 HG11 VAL 83 -0.891 2.158 4.675 669 HG12 VAL 83 HG12 VAL 83 -2.549 1.629 4.961 670 HG13 VAL 83 HG13 VAL 83 -2.057 2.160 3.354 671 HG21 VAL 83 HG21 VAL 83 0.177 -0.722 2.690 672 HG22 VAL 83 HG22 VAL 83 0.807 0.337 3.952 673 HG23 VAL 83 HG23 VAL 83 0.082 1.027 2.498 674 H GLN 84 HN GLN 84 -2.519 -2.856 5.085 675 HA GLN 84 HA GLN 84 -0.040 -4.465 4.627 676 HB2 GLN 84 HB2 GLN 84 -2.766 -5.219 5.708 677 HB3 GLN 84 HB1 GLN 84 -1.477 -6.380 5.389 678 HG2 GLN 84 HG2 GLN 84 0.006 -5.163 6.941 679 HG3 GLN 84 HG1 GLN 84 -1.282 -4.005 7.266 680 HE21 GLN 84 HE21 GLN 84 -0.709 -5.020 9.569 681 HE22 GLN 84 HE22 GLN 84 -1.661 -6.348 10.025 682 H VAL 85 HN VAL 85 0.275 -5.085 2.590 683 HA VAL 85 HA VAL 85 -1.975 -5.144 0.673 684 HB VAL 85 HB VAL 85 0.927 -5.787 0.128 685 HG11 VAL 85 HG11 VAL 85 -0.903 -6.313 -1.557 686 HG12 VAL 85 HG12 VAL 85 0.374 -5.243 -2.135 687 HG13 VAL 85 HG13 VAL 85 -1.187 -4.575 -1.659 688 HG21 VAL 85 HG21 VAL 85 -0.470 -3.092 0.133 689 HG22 VAL 85 HG22 VAL 85 1.149 -3.385 -0.503 690 HG23 VAL 85 HG23 VAL 85 0.828 -3.591 1.218 691 H ASN 86 HN ASN 86 -3.149 -6.986 1.087 692 HA ASN 86 HA ASN 86 -1.841 -9.555 0.456 693 HB2 ASN 86 HB2 ASN 86 -2.525 -10.673 2.467 694 HB3 ASN 86 HB1 ASN 86 -1.673 -9.214 2.971 695 HD21 ASN 86 HD21 ASN 86 -3.280 -7.223 3.267 696 HD22 ASN 86 HD22 ASN 86 -4.744 -7.580 4.046 697 H LYS 87 HN LYS 87 -3.723 -11.312 0.805 698 HA LYS 87 HA LYS 87 -5.771 -12.122 0.083 699 HB2 LYS 87 HB2 LYS 87 -6.559 -10.193 1.619 700 HB3 LYS 87 HB1 LYS 87 -6.851 -9.304 0.125 701 HG2 LYS 87 HG2 LYS 87 -8.923 -10.322 0.363 702 HG3 LYS 87 HG1 LYS 87 -8.095 -11.566 -0.573 703 HD2 LYS 87 HD2 LYS 87 -7.468 -12.694 1.567 704 HD3 LYS 87 HD1 LYS 87 -8.420 -11.494 2.439 705 HE2 LYS 87 HE2 LYS 87 -9.527 -13.307 0.280 706 HE3 LYS 87 HE1 LYS 87 -9.672 -13.614 2.010 707 HZ1 LYS 87 HZ1 LYS 87 -10.491 -11.032 1.716 708 HZ2 LYS 87 HZ2 LYS 87 -11.499 -12.384 1.920 709 HZ3 LYS 87 HZ3 LYS 87 -11.149 -11.811 0.359 710 H ASN 88 HN ASN 88 -7.473 -9.933 -1.461 711 HA ASN 88 HA ASN 88 -6.456 -10.744 -4.111 712 HB2 ASN 88 HB2 ASN 88 -8.578 -10.024 -4.957 713 HB3 ASN 88 HB1 ASN 88 -8.907 -10.858 -3.441 714 HD21 ASN 88 HD21 ASN 88 -8.285 -7.519 -4.656 715 HD22 ASN 88 HD22 ASN 88 -9.334 -6.774 -3.553 716 H SER 89 HN SER 89 -5.231 -8.629 -2.254 717 HA SER 89 HA SER 89 -5.590 -6.038 -3.332 718 HB2 SER 89 HB2 SER 89 -3.219 -7.383 -2.043 719 HB3 SER 89 HB1 SER 89 -3.152 -5.703 -2.573 720 HG SER 89 HG SER 89 -4.184 -6.681 -0.345 721 H SER 90 HN SER 90 -4.636 -4.941 -5.022 722 HA SER 90 HA SER 90 -2.934 -6.531 -6.915 723 HB2 SER 90 HB2 SER 90 -5.316 -4.773 -7.518 724 HB3 SER 90 HB1 SER 90 -4.159 -5.274 -8.747 725 HG SER 90 HG SER 90 -6.046 -6.759 -7.317 726 H ILE 91 HN ILE 91 -1.471 -5.264 -8.152 727 HA ILE 91 HA ILE 91 -1.098 -2.438 -7.245 728 HB ILE 91 HB ILE 91 1.044 -4.560 -7.538 729 HG12 ILE 91 HG12 ILE 91 0.249 -2.888 -5.136 730 HG13 ILE 91 HG11 ILE 91 -0.349 -4.523 -5.418 731 HG21 ILE 91 HG21 ILE 91 1.151 -1.564 -7.172 732 HG22 ILE 91 HG22 ILE 91 1.983 -2.544 -8.377 733 HG23 ILE 91 HG23 ILE 91 2.492 -2.603 -6.691 734 HD11 ILE 91 HD11 ILE 91 2.587 -3.795 -5.253 735 HD12 ILE 91 HD12 ILE 91 1.907 -5.419 -5.356 736 HD13 ILE 91 HD13 ILE 91 1.652 -4.446 -3.908 737 H GLU 92 HN GLU 92 -0.692 -1.035 -8.877 738 HA GLU 92 HA GLU 92 -0.000 -2.150 -11.575 739 HB2 GLU 92 HB2 GLU 92 -1.937 0.107 -10.995 740 HB3 GLU 92 HB1 GLU 92 -1.529 -0.534 -12.585 741 HG2 GLU 92 HG2 GLU 92 -2.807 -2.132 -10.350 742 HG3 GLU 92 HG1 GLU 92 -3.673 -1.450 -11.724 743 H LYS 93 HN LYS 93 1.597 -1.066 -12.616 744 HA LYS 93 HA LYS 93 3.026 1.019 -11.144 745 HB2 LYS 93 HB2 LYS 93 4.231 -0.771 -12.367 746 HB3 LYS 93 HB1 LYS 93 3.578 -0.149 -13.885 747 HG2 LYS 93 HG2 LYS 93 4.692 2.001 -13.515 748 HG3 LYS 93 HG1 LYS 93 5.291 1.443 -11.953 749 HD2 LYS 93 HD2 LYS 93 6.562 -0.349 -13.089 750 HD3 LYS 93 HD1 LYS 93 5.973 0.231 -14.648 751 HE2 LYS 93 HE2 LYS 93 7.050 2.411 -14.260 752 HE3 LYS 93 HE1 LYS 93 7.620 1.856 -12.686 753 HZ1 LYS 93 HZ1 LYS 93 8.854 0.095 -13.810 754 HZ2 LYS 93 HZ2 LYS 93 9.345 1.632 -14.342 755 HZ3 LYS 93 HZ3 LYS 93 8.333 0.675 -15.316 756 H LEU 94 HN LEU 94 2.707 3.135 -11.401 757 HA LEU 94 HA LEU 94 1.148 4.090 -13.769 758 HB2 LEU 94 HB2 LEU 94 1.503 5.059 -10.947 759 HB3 LEU 94 HB1 LEU 94 1.078 6.225 -12.200 760 HG LEU 94 HG LEU 94 -0.880 4.852 -12.815 761 HD11 LEU 94 HD11 LEU 94 0.209 3.055 -10.645 762 HD12 LEU 94 HD12 LEU 94 -0.244 2.632 -12.295 763 HD13 LEU 94 HD13 LEU 94 -1.491 3.010 -11.113 764 HD21 LEU 94 HD21 LEU 94 -0.878 5.266 -9.819 765 HD22 LEU 94 HD22 LEU 94 -2.233 5.424 -10.935 766 HD23 LEU 94 HD23 LEU 94 -0.929 6.612 -10.958 767 H SER 95 HN SER 95 2.113 5.343 -15.251 768 HA SER 95 HA SER 95 4.978 5.901 -15.046 769 HB2 SER 95 HB2 SER 95 3.917 5.211 -17.188 770 HB3 SER 95 HB1 SER 95 2.948 6.680 -17.163 771 HG SER 95 HG SER 95 4.615 7.762 -17.843 772 H GLU 96 HN GLU 96 2.193 7.451 -13.993 773 HA GLU 96 HA GLU 96 3.398 10.169 -14.268 774 HB2 GLU 96 HB2 GLU 96 1.043 9.786 -15.072 775 HB3 GLU 96 HB1 GLU 96 0.589 9.498 -13.390 776 HG2 GLU 96 HG2 GLU 96 1.556 11.741 -12.804 777 HG3 GLU 96 HG1 GLU 96 1.828 12.025 -14.523 778 HA PRO 97 HA PRO 97 4.202 9.260 -9.854 779 HB2 PRO 97 HB2 PRO 97 6.203 11.090 -9.487 780 HB3 PRO 97 HB1 PRO 97 6.463 9.506 -10.243 781 HG2 PRO 97 HG2 PRO 97 6.210 12.187 -11.508 782 HG3 PRO 97 HG1 PRO 97 7.222 10.809 -11.972 783 HD2 PRO 97 HD2 PRO 97 4.826 11.492 -13.202 784 HD3 PRO 97 HD1 PRO 97 5.559 9.877 -13.271 785 H ILE 98 HN ILE 98 3.642 10.301 -7.918 786 HA ILE 98 HA ILE 98 1.864 12.601 -8.234 787 HB ILE 98 HB ILE 98 1.420 12.267 -5.811 788 HG12 ILE 98 HG12 ILE 98 3.426 10.016 -6.168 789 HG13 ILE 98 HG11 ILE 98 3.607 11.424 -5.119 790 HG21 ILE 98 HG21 ILE 98 1.306 9.658 -7.331 791 HG22 ILE 98 HG22 ILE 98 0.258 11.024 -7.715 792 HG23 ILE 98 HG23 ILE 98 0.169 10.262 -6.127 793 HD11 ILE 98 HD11 ILE 98 1.586 9.189 -4.868 794 HD12 ILE 98 HD12 ILE 98 1.465 10.701 -3.969 795 HD13 ILE 98 HD13 ILE 98 2.848 9.632 -3.718 796 H GLU 99 HN GLU 99 2.249 14.654 -7.677 797 HA GLU 99 HA GLU 99 4.936 15.566 -7.251 798 HB2 GLU 99 HB2 GLU 99 3.229 16.940 -8.385 799 HB3 GLU 99 HB1 GLU 99 2.313 17.042 -6.884 800 HG2 GLU 99 HG2 GLU 99 4.165 18.220 -5.797 801 HG3 GLU 99 HG1 GLU 99 5.152 18.049 -7.243 802 H VAL 100 HN VAL 100 6.029 15.563 -5.419 803 HA VAL 100 HA VAL 100 4.567 15.426 -2.818 804 HB VAL 100 HB VAL 100 6.782 14.521 -1.979 805 HG11 VAL 100 HG11 VAL 100 6.417 12.300 -2.992 806 HG12 VAL 100 HG12 VAL 100 5.452 13.038 -4.271 807 HG13 VAL 100 HG13 VAL 100 4.877 13.068 -2.604 808 HG21 VAL 100 HG21 VAL 100 8.375 13.718 -3.685 809 HG22 VAL 100 HG22 VAL 100 8.192 15.469 -3.797 810 HG23 VAL 100 HG23 VAL 100 7.379 14.420 -4.960 811 H GLY 101 HN GLY 101 6.075 17.556 -4.818 812 HA2 GLY 101 HA2 GLY 101 6.376 19.876 -4.241 813 HA3 GLY 101 HA1 GLY 101 6.657 19.410 -2.563 814 H LEU 102 HN LEU 102 8.102 20.142 -5.535 815 HA LEU 102 HA LEU 102 10.725 18.947 -4.883 816 HB2 LEU 102 HB2 LEU 102 9.870 20.746 -7.174 817 HB3 LEU 102 HB1 LEU 102 11.386 19.851 -7.076 818 HG LEU 102 HG LEU 102 8.615 18.611 -7.126 819 HD11 LEU 102 HD11 LEU 102 10.757 18.513 -9.264 820 HD12 LEU 102 HD12 LEU 102 9.436 19.680 -9.282 821 HD13 LEU 102 HD13 LEU 102 9.089 17.955 -9.386 822 HD21 LEU 102 HD21 LEU 102 9.934 17.059 -5.967 823 HD22 LEU 102 HD22 LEU 102 11.403 17.500 -6.838 824 HD23 LEU 102 HD23 LEU 102 10.159 16.534 -7.634 825 H GLU 103 HN GLU 103 9.003 21.682 -4.092 826 HA GLU 103 HA GLU 103 10.878 23.795 -4.292 827 HB2 GLU 103 HB2 GLU 103 8.690 23.306 -2.263 828 HB3 GLU 103 HB1 GLU 103 9.542 24.839 -2.449 829 HG2 GLU 103 HG2 GLU 103 8.046 23.456 -4.695 830 HG3 GLU 103 HG1 GLU 103 7.348 24.724 -3.688 831 H HIS 104 HN HIS 104 11.560 24.918 -2.069 832 HA HIS 104 HA HIS 104 13.192 24.931 -0.408 833 HB2 HIS 104 HB2 HIS 104 11.410 23.883 0.890 834 HB3 HIS 104 HB1 HIS 104 11.856 22.294 0.269 835 HD1 HIS 104 HD1 HIS 104 14.013 21.208 1.194 836 HD2 HIS 104 HD2 HIS 104 13.219 24.958 2.834 837 HE1 HIS 104 HE1 HIS 104 15.575 21.470 3.168 838 H HIS 105 HN HIS 105 15.215 24.766 -1.167 839 HA HIS 105 HA HIS 105 16.421 22.069 -1.407 840 HB2 HIS 105 HB2 HIS 105 17.494 22.648 -3.562 841 HB3 HIS 105 HB1 HIS 105 15.738 22.593 -3.706 842 HD1 HIS 105 HD1 HIS 105 14.652 25.175 -3.116 843 HD2 HIS 105 HD2 HIS 105 18.470 24.915 -4.770 844 HE1 HIS 105 HE1 HIS 105 15.131 27.427 -4.171 845 H HIS 106 HN HIS 106 18.843 22.262 -1.585 846 HA HIS 106 HA HIS 106 19.867 24.784 -0.328 847 HB2 HIS 106 HB2 HIS 106 20.558 21.940 0.446 848 HB3 HIS 106 HB1 HIS 106 21.346 23.382 1.082 849 HD1 HIS 106 HD1 HIS 106 19.551 25.179 2.188 850 HD2 HIS 106 HD2 HIS 106 18.355 21.194 1.947 851 HE1 HIS 106 HE1 HIS 106 17.632 24.910 3.816 852 H HIS 107 HN HIS 107 22.175 25.091 -0.626 853 HA HIS 107 HA HIS 107 23.480 23.498 -2.751 854 HB2 HIS 107 HB2 HIS 107 24.010 25.574 -4.043 855 HB3 HIS 107 HB1 HIS 107 22.287 25.198 -4.028 856 HD1 HIS 107 HD1 HIS 107 24.448 27.980 -3.617 857 HD2 HIS 107 HD2 HIS 107 21.020 26.699 -1.620 858 HE1 HIS 107 HE1 HIS 107 23.519 30.006 -2.416 859 H HIS 108 HN HIS 108 25.786 24.221 -3.020 860 HA HIS 108 HA HIS 108 27.881 24.575 -2.039 861 HB2 HIS 108 HB2 HIS 108 27.211 26.929 -2.195 862 HB3 HIS 108 HB1 HIS 108 26.350 26.804 -0.664 863 HD1 HIS 108 HD1 HIS 108 29.895 26.445 -2.024 864 HD2 HIS 108 HD2 HIS 108 27.935 27.270 1.563 865 HE1 HIS 108 HE1 HIS 108 31.693 27.069 -0.350 866 H HIS 109 HN HIS 109 26.026 25.666 0.768 867 HA HIS 109 HA HIS 109 27.469 24.427 2.758 868 HB2 HIS 109 HB2 HIS 109 24.477 24.831 2.570 869 HB3 HIS 109 HB1 HIS 109 25.289 24.321 4.052 870 HD1 HIS 109 HD1 HIS 109 25.218 27.214 1.590 871 HD2 HIS 109 HD2 HIS 109 26.565 26.382 5.447 872 HE1 HIS 109 HE1 HIS 109 25.993 29.418 2.571 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -10.851 4.032 -12.519 2 H2 MET 1 HT2 MET 1 -11.184 2.437 -13.001 3 H3 MET 1 HT3 MET 1 -11.264 2.868 -11.359 4 HA MET 1 HA MET 1 -12.983 4.204 -13.342 5 HB2 MET 1 HB2 MET 1 -13.457 1.543 -11.970 6 HB3 MET 1 HB1 MET 1 -14.736 2.497 -12.724 7 HG2 MET 1 HG2 MET 1 -13.524 2.421 -14.877 8 HG3 MET 1 HG1 MET 1 -12.254 1.455 -14.126 9 HE1 MET 1 HE1 MET 1 -13.656 0.302 -16.735 10 HE2 MET 1 HE2 MET 1 -13.655 -1.359 -16.146 11 HE3 MET 1 HE3 MET 1 -12.319 -0.286 -15.736 12 H GLU 2 HN GLU 2 -12.700 5.996 -11.919 13 HA GLU 2 HA GLU 2 -13.112 7.315 -10.029 14 HB2 GLU 2 HB2 GLU 2 -15.583 5.569 -10.166 15 HB3 GLU 2 HB1 GLU 2 -15.431 6.941 -9.067 16 HG2 GLU 2 HG2 GLU 2 -16.547 7.688 -11.102 17 HG3 GLU 2 HG1 GLU 2 -14.940 8.410 -11.031 18 HA PRO 3 HA PRO 3 -11.817 3.684 -7.238 19 HB2 PRO 3 HB2 PRO 3 -9.224 4.629 -6.832 20 HB3 PRO 3 HB1 PRO 3 -9.682 3.408 -8.036 21 HG2 PRO 3 HG2 PRO 3 -9.185 6.324 -8.395 22 HG3 PRO 3 HG1 PRO 3 -8.790 4.971 -9.468 23 HD2 PRO 3 HD2 PRO 3 -10.909 6.621 -9.927 24 HD3 PRO 3 HD1 PRO 3 -10.927 4.906 -10.391 25 H GLN 4 HN GLN 4 -11.825 3.825 -5.013 26 HA GLN 4 HA GLN 4 -12.385 6.484 -3.876 27 HB2 GLN 4 HB2 GLN 4 -12.456 3.690 -2.716 28 HB3 GLN 4 HB1 GLN 4 -12.845 5.142 -1.792 29 HG2 GLN 4 HG2 GLN 4 -14.637 5.700 -3.366 30 HG3 GLN 4 HG1 GLN 4 -14.226 4.302 -4.360 31 HE21 GLN 4 HE21 GLN 4 -16.724 3.997 -3.691 32 HE22 GLN 4 HE22 GLN 4 -16.972 3.034 -2.317 33 H LEU 5 HN LEU 5 -10.341 7.443 -4.008 34 HA LEU 5 HA LEU 5 -7.985 6.244 -2.792 35 HB2 LEU 5 HB2 LEU 5 -8.685 8.899 -3.993 36 HB3 LEU 5 HB1 LEU 5 -7.220 8.782 -3.021 37 HG LEU 5 HG LEU 5 -6.872 8.380 -5.487 38 HD11 LEU 5 HD11 LEU 5 -5.181 6.861 -5.091 39 HD12 LEU 5 HD12 LEU 5 -6.211 5.770 -4.169 40 HD13 LEU 5 HD13 LEU 5 -5.576 7.233 -3.415 41 HD21 LEU 5 HD21 LEU 5 -7.761 6.458 -6.552 42 HD22 LEU 5 HD22 LEU 5 -9.124 7.116 -5.644 43 HD23 LEU 5 HD23 LEU 5 -8.235 5.726 -5.020 44 H THR 6 HN THR 6 -7.166 6.551 -0.794 45 HA THR 6 HA THR 6 -8.703 8.295 1.100 46 HB THR 6 HB THR 6 -7.418 5.615 1.683 47 HG1 THR 6 HG1 THR 6 -9.409 5.602 0.468 48 HG21 THR 6 HG21 THR 6 -8.979 7.573 3.383 49 HG22 THR 6 HG22 THR 6 -7.306 7.070 3.612 50 HG23 THR 6 HG23 THR 6 -8.615 5.918 3.873 51 H LYS 7 HN LYS 7 -7.496 9.762 2.135 52 HA LYS 7 HA LYS 7 -4.626 9.915 1.620 53 HB2 LYS 7 HB2 LYS 7 -6.516 11.626 3.248 54 HB3 LYS 7 HB1 LYS 7 -4.803 11.994 3.036 55 HG2 LYS 7 HG2 LYS 7 -5.164 11.956 0.550 56 HG3 LYS 7 HG1 LYS 7 -6.893 11.765 0.848 57 HD2 LYS 7 HD2 LYS 7 -5.263 14.061 1.971 58 HD3 LYS 7 HD1 LYS 7 -6.125 14.156 0.437 59 HE2 LYS 7 HE2 LYS 7 -8.217 13.440 1.759 60 HE3 LYS 7 HE1 LYS 7 -7.280 13.800 3.209 61 HZ1 LYS 7 HZ1 LYS 7 -7.410 15.985 2.853 62 HZ2 LYS 7 HZ2 LYS 7 -8.728 15.597 1.855 63 HZ3 LYS 7 HZ3 LYS 7 -7.190 15.846 1.178 64 H ILE 8 HN ILE 8 -3.000 9.970 3.261 65 HA ILE 8 HA ILE 8 -3.207 7.913 5.224 66 HB ILE 8 HB ILE 8 -1.230 10.192 4.943 67 HG12 ILE 8 HG12 ILE 8 -0.899 7.246 4.314 68 HG13 ILE 8 HG11 ILE 8 -1.407 8.430 3.109 69 HG21 ILE 8 HG21 ILE 8 -1.061 9.504 7.214 70 HG22 ILE 8 HG22 ILE 8 0.207 8.605 6.381 71 HG23 ILE 8 HG23 ILE 8 -1.309 7.807 6.803 72 HD11 ILE 8 HD11 ILE 8 0.650 9.686 3.389 73 HD12 ILE 8 HD12 ILE 8 1.069 7.997 3.105 74 HD13 ILE 8 HD13 ILE 8 1.141 8.661 4.738 75 H VAL 9 HN VAL 9 -3.374 11.444 5.501 76 HA VAL 9 HA VAL 9 -3.631 11.509 8.356 77 HB VAL 9 HB VAL 9 -3.036 13.477 6.935 78 HG11 VAL 9 HG11 VAL 9 -4.694 14.618 5.646 79 HG12 VAL 9 HG12 VAL 9 -5.992 13.615 6.296 80 HG13 VAL 9 HG13 VAL 9 -4.810 12.920 5.187 81 HG21 VAL 9 HG21 VAL 9 -5.556 13.966 8.543 82 HG22 VAL 9 HG22 VAL 9 -4.226 15.090 8.264 83 HG23 VAL 9 HG23 VAL 9 -3.980 13.668 9.279 84 H ASP 10 HN ASP 10 -5.867 10.800 5.800 85 HA ASP 10 HA ASP 10 -8.273 11.268 7.396 86 HB2 ASP 10 HB2 ASP 10 -7.756 9.889 4.752 87 HB3 ASP 10 HB1 ASP 10 -9.362 9.980 5.477 88 H ILE 11 HN ILE 11 -5.891 8.928 7.486 89 HA ILE 11 HA ILE 11 -7.632 6.629 8.017 90 HB ILE 11 HB ILE 11 -4.644 7.022 8.358 91 HG12 ILE 11 HG12 ILE 11 -6.215 5.457 6.287 92 HG13 ILE 11 HG11 ILE 11 -5.599 7.088 6.022 93 HG21 ILE 11 HG21 ILE 11 -5.287 5.277 9.867 94 HG22 ILE 11 HG22 ILE 11 -4.686 4.467 8.422 95 HG23 ILE 11 HG23 ILE 11 -6.422 4.596 8.703 96 HD11 ILE 11 HD11 ILE 11 -3.294 6.112 6.690 97 HD12 ILE 11 HD12 ILE 11 -3.930 5.686 5.100 98 HD13 ILE 11 HD13 ILE 11 -4.040 4.536 6.431 99 H VAL 12 HN VAL 12 -8.649 6.389 9.901 100 HA VAL 12 HA VAL 12 -7.276 7.050 12.442 101 HB VAL 12 HB VAL 12 -9.503 8.132 13.208 102 HG11 VAL 12 HG11 VAL 12 -7.387 9.371 12.850 103 HG12 VAL 12 HG12 VAL 12 -8.791 10.331 12.382 104 HG13 VAL 12 HG13 VAL 12 -7.799 9.558 11.145 105 HG21 VAL 12 HG21 VAL 12 -9.794 8.660 10.241 106 HG22 VAL 12 HG22 VAL 12 -10.946 9.016 11.529 107 HG23 VAL 12 HG23 VAL 12 -10.654 7.347 11.042 108 H GLU 13 HN GLU 13 -8.795 4.813 10.653 109 HA GLU 13 HA GLU 13 -9.868 3.427 13.072 110 HB2 GLU 13 HB2 GLU 13 -11.286 3.779 10.425 111 HB3 GLU 13 HB1 GLU 13 -11.754 2.566 11.618 112 HG2 GLU 13 HG2 GLU 13 -12.141 4.299 13.289 113 HG3 GLU 13 HG1 GLU 13 -11.565 5.539 12.178 114 H ASN 14 HN ASN 14 -9.195 1.389 13.224 115 HA ASN 14 HA ASN 14 -7.458 0.287 11.139 116 HB2 ASN 14 HB2 ASN 14 -7.029 -1.503 12.764 117 HB3 ASN 14 HB1 ASN 14 -6.874 0.073 13.535 118 HD21 ASN 14 HD21 ASN 14 -7.315 -1.672 15.436 119 HD22 ASN 14 HD22 ASN 14 -8.942 -1.791 15.905 120 H GLY 15 HN GLY 15 -7.778 -1.756 10.143 121 HA2 GLY 15 HA2 GLY 15 -9.006 -3.491 9.170 122 HA3 GLY 15 HA1 GLY 15 -10.211 -3.287 10.440 123 H GLN 16 HN GLN 16 -9.168 -2.126 7.284 124 HA GLN 16 HA GLN 16 -11.892 -1.679 6.453 125 HB2 GLN 16 HB2 GLN 16 -11.683 0.346 7.804 126 HB3 GLN 16 HB1 GLN 16 -10.199 0.783 6.957 127 HG2 GLN 16 HG2 GLN 16 -11.380 1.059 4.871 128 HG3 GLN 16 HG1 GLN 16 -12.855 0.378 5.556 129 HE21 GLN 16 HE21 GLN 16 -10.687 3.219 5.734 130 HE22 GLN 16 HE22 GLN 16 -11.847 4.255 6.412 131 H TRP 17 HN TRP 17 -12.000 -1.737 4.273 132 HA TRP 17 HA TRP 17 -9.467 -1.985 2.777 133 HB2 TRP 17 HB2 TRP 17 -12.302 -2.398 1.807 134 HB3 TRP 17 HB1 TRP 17 -10.821 -2.942 1.018 135 HD1 TRP 17 HD1 TRP 17 -12.947 -3.592 4.154 136 HE1 TRP 17 HE1 TRP 17 -12.392 -5.952 5.036 137 HE3 TRP 17 HE3 TRP 17 -9.109 -4.825 1.021 138 HZ2 TRP 17 HZ2 TRP 17 -10.562 -8.081 4.483 139 HZ3 TRP 17 HZ3 TRP 17 -7.979 -7.022 1.219 140 HH2 TRP 17 HH2 TRP 17 -8.700 -8.649 2.944 141 H ALA 18 HN ALA 18 -8.830 -0.595 1.177 142 HA ALA 18 HA ALA 18 -10.587 1.384 -0.001 143 HB1 ALA 18 HB1 ALA 18 -10.397 2.551 2.084 144 HB2 ALA 18 HB2 ALA 18 -9.315 3.366 0.953 145 HB3 ALA 18 HB3 ALA 18 -8.658 2.260 2.157 146 H ASN 19 HN ASN 19 -9.229 2.986 -1.330 147 HA ASN 19 HA ASN 19 -6.952 1.483 -2.533 148 HB2 ASN 19 HB2 ASN 19 -8.528 3.836 -3.615 149 HB3 ASN 19 HB1 ASN 19 -7.317 2.905 -4.495 150 HD21 ASN 19 HD21 ASN 19 -10.665 3.058 -3.738 151 HD22 ASN 19 HD22 ASN 19 -11.094 1.522 -4.317 152 H LEU 20 HN LEU 20 -4.943 2.440 -2.813 153 HA LEU 20 HA LEU 20 -4.526 5.206 -1.850 154 HB2 LEU 20 HB2 LEU 20 -4.220 3.842 0.163 155 HB3 LEU 20 HB1 LEU 20 -3.099 2.789 -0.695 156 HG LEU 20 HG LEU 20 -1.529 4.656 -0.990 157 HD11 LEU 20 HD11 LEU 20 -2.801 6.612 -1.189 158 HD12 LEU 20 HD12 LEU 20 -2.145 6.780 0.439 159 HD13 LEU 20 HD13 LEU 20 -3.803 6.226 0.208 160 HD21 LEU 20 HD21 LEU 20 -2.544 4.291 1.841 161 HD22 LEU 20 HD22 LEU 20 -1.013 5.065 1.435 162 HD23 LEU 20 HD23 LEU 20 -1.275 3.366 1.041 163 H LYS 21 HN LYS 21 -2.957 6.219 -2.995 164 HA LYS 21 HA LYS 21 -1.204 4.573 -4.791 165 HB2 LYS 21 HB2 LYS 21 -2.872 5.803 -6.094 166 HB3 LYS 21 HB1 LYS 21 -2.417 7.304 -5.292 167 HG2 LYS 21 HG2 LYS 21 -0.241 7.285 -6.273 168 HG3 LYS 21 HG1 LYS 21 -0.430 5.621 -6.826 169 HD2 LYS 21 HD2 LYS 21 -0.740 7.156 -8.707 170 HD3 LYS 21 HD1 LYS 21 -2.264 6.356 -8.333 171 HE2 LYS 21 HE2 LYS 21 -3.154 8.284 -7.287 172 HE3 LYS 21 HE1 LYS 21 -1.566 9.039 -7.137 173 HZ1 LYS 21 HZ1 LYS 21 -2.169 10.104 -8.993 174 HZ2 LYS 21 HZ2 LYS 21 -3.377 8.974 -9.386 175 HZ3 LYS 21 HZ3 LYS 21 -1.755 8.661 -9.785 176 H ALA 22 HN ALA 22 0.973 5.032 -4.709 177 HA ALA 22 HA ALA 22 1.918 7.570 -3.577 178 HB1 ALA 22 HB1 ALA 22 2.424 4.998 -2.065 179 HB2 ALA 22 HB2 ALA 22 1.360 6.300 -1.533 180 HB3 ALA 22 HB3 ALA 22 3.097 6.579 -1.674 181 H LYS 23 HN LYS 23 4.373 7.478 -3.298 182 HA LYS 23 HA LYS 23 5.555 5.873 -5.531 183 HB2 LYS 23 HB2 LYS 23 5.468 8.444 -5.690 184 HB3 LYS 23 HB1 LYS 23 6.686 8.437 -4.414 185 HG2 LYS 23 HG2 LYS 23 8.201 7.130 -5.793 186 HG3 LYS 23 HG1 LYS 23 6.967 6.941 -7.037 187 HD2 LYS 23 HD2 LYS 23 8.408 8.699 -7.788 188 HD3 LYS 23 HD1 LYS 23 6.925 9.471 -7.231 189 HE2 LYS 23 HE2 LYS 23 7.933 10.224 -5.224 190 HE3 LYS 23 HE1 LYS 23 9.296 9.118 -5.392 191 HZ1 LYS 23 HZ1 LYS 23 10.007 11.287 -6.004 192 HZ2 LYS 23 HZ2 LYS 23 8.695 11.493 -7.064 193 HZ3 LYS 23 HZ3 LYS 23 9.914 10.363 -7.423 194 H VAL 24 HN VAL 24 7.398 4.714 -5.146 195 HA VAL 24 HA VAL 24 7.995 4.100 -2.361 196 HB VAL 24 HB VAL 24 9.303 3.182 -4.933 197 HG11 VAL 24 HG11 VAL 24 10.856 2.877 -3.098 198 HG12 VAL 24 HG12 VAL 24 10.133 1.308 -3.458 199 HG13 VAL 24 HG13 VAL 24 9.578 2.236 -2.065 200 HG21 VAL 24 HG21 VAL 24 7.902 1.262 -4.770 201 HG22 VAL 24 HG22 VAL 24 6.833 2.632 -4.477 202 HG23 VAL 24 HG23 VAL 24 7.414 1.661 -3.124 203 H ILE 25 HN ILE 25 9.606 4.887 -1.137 204 HA ILE 25 HA ILE 25 11.767 6.504 -2.434 205 HB ILE 25 HB ILE 25 11.762 7.900 -0.369 206 HG12 ILE 25 HG12 ILE 25 9.119 6.524 0.214 207 HG13 ILE 25 HG11 ILE 25 10.619 6.148 1.059 208 HG21 ILE 25 HG21 ILE 25 9.136 7.771 -1.883 209 HG22 ILE 25 HG22 ILE 25 10.587 8.625 -2.410 210 HG23 ILE 25 HG23 ILE 25 9.724 9.159 -0.968 211 HD11 ILE 25 HD11 ILE 25 9.143 7.842 2.225 212 HD12 ILE 25 HD12 ILE 25 9.489 8.945 0.894 213 HD13 ILE 25 HD13 ILE 25 10.799 8.370 1.925 214 H GLN 26 HN GLN 26 10.813 4.221 0.052 215 HA GLN 26 HA GLN 26 13.627 3.370 0.288 216 HB2 GLN 26 HB2 GLN 26 13.286 5.109 2.060 217 HB3 GLN 26 HB1 GLN 26 12.001 4.111 2.737 218 HG2 GLN 26 HG2 GLN 26 14.042 3.651 3.953 219 HG3 GLN 26 HG1 GLN 26 13.664 2.240 2.971 220 HE21 GLN 26 HE21 GLN 26 15.786 1.479 2.515 221 HE22 GLN 26 HE22 GLN 26 16.957 2.404 1.705 222 H LEU 27 HN LEU 27 13.657 1.214 0.243 223 HA LEU 27 HA LEU 27 11.413 -0.330 1.435 224 HB2 LEU 27 HB2 LEU 27 11.154 -1.729 -0.500 225 HB3 LEU 27 HB1 LEU 27 11.021 -0.059 -1.038 226 HG LEU 27 HG LEU 27 13.477 -1.832 -1.282 227 HD11 LEU 27 HD11 LEU 27 11.708 -0.599 -3.410 228 HD12 LEU 27 HD12 LEU 27 11.574 -2.268 -2.859 229 HD13 LEU 27 HD13 LEU 27 13.044 -1.722 -3.663 230 HD21 LEU 27 HD21 LEU 27 14.391 0.318 -1.007 231 HD22 LEU 27 HD22 LEU 27 13.017 1.111 -1.780 232 HD23 LEU 27 HD23 LEU 27 14.191 0.226 -2.754 233 H TRP 28 HN TRP 28 12.065 -2.121 2.500 234 HA TRP 28 HA TRP 28 14.901 -3.034 2.159 235 HB2 TRP 28 HB2 TRP 28 14.652 -1.725 4.239 236 HB3 TRP 28 HB1 TRP 28 13.347 -2.793 4.752 237 HD1 TRP 28 HD1 TRP 28 17.105 -2.855 3.949 238 HE1 TRP 28 HE1 TRP 28 18.179 -4.832 5.207 239 HE3 TRP 28 HE3 TRP 28 12.923 -5.016 5.938 240 HZ2 TRP 28 HZ2 TRP 28 17.373 -7.036 6.841 241 HZ3 TRP 28 HZ3 TRP 28 13.109 -7.047 7.346 242 HH2 TRP 28 HH2 TRP 28 15.326 -8.061 7.795 243 H GLU 29 HN GLU 29 14.986 -5.116 1.594 244 HA GLU 29 HA GLU 29 12.715 -6.795 1.311 245 HB2 GLU 29 HB2 GLU 29 14.848 -7.108 0.084 246 HB3 GLU 29 HB1 GLU 29 15.612 -7.634 1.584 247 HG2 GLU 29 HG2 GLU 29 14.035 -9.506 1.759 248 HG3 GLU 29 HG1 GLU 29 13.207 -8.964 0.301 249 H ASN 30 HN ASN 30 11.780 -8.304 2.629 250 HA ASN 30 HA ASN 30 12.686 -8.348 5.463 251 HB2 ASN 30 HB2 ASN 30 10.354 -7.693 5.029 252 HB3 ASN 30 HB1 ASN 30 10.079 -9.225 4.199 253 HD21 ASN 30 HD21 ASN 30 9.770 -7.718 7.193 254 HD22 ASN 30 HD22 ASN 30 9.702 -9.104 8.171 255 H THR 31 HN THR 31 13.825 -10.063 6.111 256 HA THR 31 HA THR 31 13.787 -12.567 4.517 257 HB THR 31 HB THR 31 15.770 -13.168 5.839 258 HG1 THR 31 HG1 THR 31 15.412 -12.337 7.805 259 HG21 THR 31 HG21 THR 31 15.952 -10.263 5.003 260 HG22 THR 31 HG22 THR 31 15.964 -11.612 3.867 261 HG23 THR 31 HG23 THR 31 17.263 -11.442 5.049 262 H HIS 32 HN HIS 32 12.042 -11.284 6.982 263 HA HIS 32 HA HIS 32 11.927 -13.684 8.694 264 HB2 HIS 32 HB2 HIS 32 10.339 -11.103 8.747 265 HB3 HIS 32 HB1 HIS 32 10.230 -12.378 9.959 266 HD1 HIS 32 HD1 HIS 32 12.685 -13.000 11.090 267 HD2 HIS 32 HD2 HIS 32 12.289 -9.238 9.338 268 HE1 HIS 32 HE1 HIS 32 14.557 -11.573 12.026 269 H GLU 33 HN GLU 33 10.686 -15.350 8.128 270 HA GLU 33 HA GLU 33 9.052 -15.666 5.942 271 HB2 GLU 33 HB2 GLU 33 8.661 -16.867 8.694 272 HB3 GLU 33 HB1 GLU 33 7.854 -17.444 7.236 273 HG2 GLU 33 HG2 GLU 33 9.719 -18.858 7.335 274 HG3 GLU 33 HG1 GLU 33 10.292 -17.587 6.258 275 H SER 34 HN SER 34 6.669 -15.923 5.829 276 HA SER 34 HA SER 34 4.479 -15.133 6.100 277 HB2 SER 34 HB2 SER 34 5.253 -13.427 8.450 278 HB3 SER 34 HB1 SER 34 3.774 -14.340 8.170 279 HG SER 34 HG SER 34 5.887 -15.989 8.203 280 H ILE 35 HN ILE 35 7.098 -12.803 6.609 281 HA ILE 35 HA ILE 35 5.539 -10.771 5.054 282 HB ILE 35 HB ILE 35 7.911 -10.426 6.905 283 HG12 ILE 35 HG12 ILE 35 5.036 -9.525 7.251 284 HG13 ILE 35 HG11 ILE 35 5.667 -11.021 7.942 285 HG21 ILE 35 HG21 ILE 35 6.285 -8.506 5.230 286 HG22 ILE 35 HG22 ILE 35 8.035 -8.704 5.268 287 HG23 ILE 35 HG23 ILE 35 7.202 -7.970 6.637 288 HD11 ILE 35 HD11 ILE 35 7.364 -9.747 9.186 289 HD12 ILE 35 HD12 ILE 35 5.747 -9.166 9.580 290 HD13 ILE 35 HD13 ILE 35 6.769 -8.246 8.477 291 H SER 36 HN SER 36 6.115 -10.600 2.988 292 HA SER 36 HA SER 36 8.585 -11.738 1.950 293 HB2 SER 36 HB2 SER 36 6.260 -11.489 0.782 294 HB3 SER 36 HB1 SER 36 6.795 -9.851 0.425 295 HG SER 36 HG SER 36 8.664 -10.792 -0.539 296 H GLN 37 HN GLN 37 7.278 -8.423 2.188 297 HA GLN 37 HA GLN 37 10.028 -7.391 2.532 298 HB2 GLN 37 HB2 GLN 37 9.755 -7.358 0.099 299 HB3 GLN 37 HB1 GLN 37 8.221 -6.504 0.263 300 HG2 GLN 37 HG2 GLN 37 9.313 -4.562 1.187 301 HG3 GLN 37 HG1 GLN 37 10.848 -5.416 1.307 302 HE21 GLN 37 HE21 GLN 37 12.185 -4.478 -0.255 303 HE22 GLN 37 HE22 GLN 37 11.739 -4.207 -1.870 304 H VAL 38 HN VAL 38 10.065 -5.213 3.332 305 HA VAL 38 HA VAL 38 7.453 -4.029 4.111 306 HB VAL 38 HB VAL 38 8.117 -5.433 6.020 307 HG11 VAL 38 HG11 VAL 38 10.565 -5.417 5.557 308 HG12 VAL 38 HG12 VAL 38 10.196 -4.992 7.228 309 HG13 VAL 38 HG13 VAL 38 10.630 -3.732 6.072 310 HG21 VAL 38 HG21 VAL 38 8.692 -2.543 6.699 311 HG22 VAL 38 HG22 VAL 38 7.883 -3.754 7.694 312 HG23 VAL 38 HG23 VAL 38 7.075 -3.100 6.269 313 H GLY 39 HN GLY 39 7.503 -1.808 4.145 314 HA2 GLY 39 HA2 GLY 39 9.930 -0.267 4.429 315 HA3 GLY 39 HA1 GLY 39 9.480 -0.405 2.731 316 H LEU 40 HN LEU 40 9.218 1.981 2.927 317 HA LEU 40 HA LEU 40 6.458 2.653 3.838 318 HB2 LEU 40 HB2 LEU 40 7.394 4.909 4.528 319 HB3 LEU 40 HB1 LEU 40 7.829 3.559 5.571 320 HG LEU 40 HG LEU 40 9.701 4.126 3.297 321 HD11 LEU 40 HD11 LEU 40 9.510 5.899 5.751 322 HD12 LEU 40 HD12 LEU 40 9.226 6.397 4.084 323 HD13 LEU 40 HD13 LEU 40 10.843 5.911 4.596 324 HD21 LEU 40 HD21 LEU 40 10.167 3.556 6.246 325 HD22 LEU 40 HD22 LEU 40 11.374 3.487 4.963 326 HD23 LEU 40 HD23 LEU 40 10.060 2.312 5.002 327 H LEU 41 HN LEU 41 5.402 4.202 2.614 328 HA LEU 41 HA LEU 41 6.698 4.855 -0.008 329 HB2 LEU 41 HB2 LEU 41 3.743 4.655 0.621 330 HB3 LEU 41 HB1 LEU 41 4.476 4.861 -0.966 331 HG LEU 41 HG LEU 41 4.889 2.452 0.830 332 HD11 LEU 41 HD11 LEU 41 2.583 2.644 -0.112 333 HD12 LEU 41 HD12 LEU 41 3.467 1.264 -0.765 334 HD13 LEU 41 HD13 LEU 41 3.283 2.728 -1.730 335 HD21 LEU 41 HD21 LEU 41 6.817 2.632 -0.539 336 HD22 LEU 41 HD22 LEU 41 5.888 3.231 -1.913 337 HD23 LEU 41 HD23 LEU 41 5.770 1.538 -1.439 338 H GLY 42 HN GLY 42 6.770 6.924 -0.650 339 HA2 GLY 42 HA2 GLY 42 6.165 9.005 1.314 340 HA3 GLY 42 HA1 GLY 42 6.971 9.237 -0.234 341 H ASP 43 HN ASP 43 4.662 10.626 1.104 342 HA ASP 43 HA ASP 43 2.946 10.768 -1.294 343 HB2 ASP 43 HB2 ASP 43 1.973 9.969 1.452 344 HB3 ASP 43 HB1 ASP 43 0.896 10.703 0.265 345 H GLU 44 HN GLU 44 1.569 12.695 -1.237 346 HA GLU 44 HA GLU 44 2.962 14.998 -0.246 347 HB2 GLU 44 HB2 GLU 44 1.453 15.025 -2.235 348 HB3 GLU 44 HB1 GLU 44 0.077 14.791 -1.158 349 HG2 GLU 44 HG2 GLU 44 0.567 16.887 -0.008 350 HG3 GLU 44 HG1 GLU 44 2.018 17.112 -0.984 351 H THR 45 HN THR 45 0.602 12.898 1.165 352 HA THR 45 HA THR 45 -0.146 14.852 3.251 353 HB THR 45 HB THR 45 -1.653 13.111 4.053 354 HG1 THR 45 HG1 THR 45 -0.011 11.552 2.440 355 HG21 THR 45 HG21 THR 45 -1.578 13.506 1.057 356 HG22 THR 45 HG22 THR 45 -2.568 14.356 2.242 357 HG23 THR 45 HG23 THR 45 -2.899 12.667 1.866 358 H GLY 46 HN GLY 46 2.431 12.846 2.695 359 HA2 GLY 46 HA2 GLY 46 4.090 13.098 4.667 360 HA3 GLY 46 HA1 GLY 46 2.852 12.273 5.610 361 H ILE 47 HN ILE 47 4.093 10.466 6.057 362 HA ILE 47 HA ILE 47 4.707 8.683 3.728 363 HB ILE 47 HB ILE 47 6.614 7.806 5.030 364 HG12 ILE 47 HG12 ILE 47 6.025 10.081 6.959 365 HG13 ILE 47 HG11 ILE 47 5.692 8.382 7.298 366 HG21 ILE 47 HG21 ILE 47 6.879 9.701 3.423 367 HG22 ILE 47 HG22 ILE 47 8.080 9.711 4.711 368 HG23 ILE 47 HG23 ILE 47 6.712 10.822 4.772 369 HD11 ILE 47 HD11 ILE 47 8.082 7.848 6.998 370 HD12 ILE 47 HD12 ILE 47 7.861 9.059 8.262 371 HD13 ILE 47 HD13 ILE 47 8.421 9.546 6.662 372 H ILE 48 HN ILE 48 4.404 6.445 4.102 373 HA ILE 48 HA ILE 48 3.044 5.693 6.633 374 HB ILE 48 HB ILE 48 1.266 6.341 5.034 375 HG12 ILE 48 HG12 ILE 48 -0.011 4.215 5.140 376 HG13 ILE 48 HG11 ILE 48 1.466 3.356 5.557 377 HG21 ILE 48 HG21 ILE 48 2.590 5.760 2.979 378 HG22 ILE 48 HG22 ILE 48 0.947 5.121 2.968 379 HG23 ILE 48 HG23 ILE 48 2.304 4.056 3.333 380 HD11 ILE 48 HD11 ILE 48 0.698 5.727 7.228 381 HD12 ILE 48 HD12 ILE 48 1.550 4.253 7.693 382 HD13 ILE 48 HD13 ILE 48 -0.195 4.223 7.448 383 H LYS 49 HN LYS 49 3.429 3.619 7.252 384 HA LYS 49 HA LYS 49 5.466 2.123 5.746 385 HB2 LYS 49 HB2 LYS 49 4.205 1.732 8.451 386 HB3 LYS 49 HB1 LYS 49 5.387 0.617 7.768 387 HG2 LYS 49 HG2 LYS 49 6.978 2.523 7.514 388 HG3 LYS 49 HG1 LYS 49 5.807 3.570 8.315 389 HD2 LYS 49 HD2 LYS 49 6.821 1.024 9.588 390 HD3 LYS 49 HD1 LYS 49 7.648 2.567 9.797 391 HE2 LYS 49 HE2 LYS 49 5.409 3.510 10.595 392 HE3 LYS 49 HE1 LYS 49 4.830 1.846 10.644 393 HZ1 LYS 49 HZ1 LYS 49 7.240 2.816 12.068 394 HZ2 LYS 49 HZ2 LYS 49 6.525 1.280 12.198 395 HZ3 LYS 49 HZ3 LYS 49 5.710 2.653 12.780 396 H PHE 50 HN PHE 50 5.173 0.049 4.917 397 HA PHE 50 HA PHE 50 2.414 -1.083 4.996 398 HB2 PHE 50 HB2 PHE 50 2.392 -1.446 2.621 399 HB3 PHE 50 HB1 PHE 50 2.744 0.259 2.894 400 HD1 PHE 50 HD1 PHE 50 5.141 1.070 2.725 401 HD2 PHE 50 HD2 PHE 50 3.943 -2.878 1.532 402 HE1 PHE 50 HE1 PHE 50 7.227 0.832 1.401 403 HE2 PHE 50 HE2 PHE 50 6.029 -3.117 0.215 404 HZ PHE 50 HZ PHE 50 7.673 -1.265 0.149 405 H THR 51 HN THR 51 2.324 -3.324 4.620 406 HA THR 51 HA THR 51 4.949 -4.770 4.697 407 HB THR 51 HB THR 51 2.479 -5.441 6.324 408 HG1 THR 51 HG1 THR 51 4.694 -3.875 6.764 409 HG21 THR 51 HG21 THR 51 5.260 -6.637 6.207 410 HG22 THR 51 HG22 THR 51 3.764 -7.418 5.699 411 HG23 THR 51 HG23 THR 51 4.038 -7.063 7.405 412 H ILE 52 HN ILE 52 5.070 -6.373 3.227 413 HA ILE 52 HA ILE 52 2.595 -7.100 1.723 414 HB ILE 52 HB ILE 52 5.527 -7.359 1.017 415 HG12 ILE 52 HG12 ILE 52 3.317 -5.738 -0.279 416 HG13 ILE 52 HG11 ILE 52 4.421 -5.082 0.928 417 HG21 ILE 52 HG21 ILE 52 3.015 -8.299 -0.381 418 HG22 ILE 52 HG22 ILE 52 4.448 -9.242 0.025 419 HG23 ILE 52 HG23 ILE 52 4.526 -8.026 -1.249 420 HD11 ILE 52 HD11 ILE 52 5.054 -4.722 -1.539 421 HD12 ILE 52 HD12 ILE 52 5.435 -6.443 -1.569 422 HD13 ILE 52 HD13 ILE 52 6.309 -5.367 -0.480 423 H TRP 53 HN TRP 53 1.764 -9.079 1.933 424 HA TRP 53 HA TRP 53 3.199 -11.065 3.592 425 HB2 TRP 53 HB2 TRP 53 0.389 -10.982 2.462 426 HB3 TRP 53 HB1 TRP 53 1.020 -12.303 3.448 427 HD1 TRP 53 HD1 TRP 53 0.061 -8.608 3.639 428 HE1 TRP 53 HE1 TRP 53 -0.177 -7.942 6.118 429 HE3 TRP 53 HE3 TRP 53 1.747 -12.883 5.868 430 HZ2 TRP 53 HZ2 TRP 53 0.285 -9.072 8.703 431 HZ3 TRP 53 HZ3 TRP 53 1.833 -13.060 8.337 432 HH2 TRP 53 HH2 TRP 53 1.107 -11.163 9.755 433 H LYS 54 HN LYS 54 4.221 -12.761 2.748 434 HA LYS 54 HA LYS 54 4.604 -13.072 -0.077 435 HB2 LYS 54 HB2 LYS 54 5.673 -15.284 0.689 436 HB3 LYS 54 HB1 LYS 54 6.365 -13.794 1.330 437 HG2 LYS 54 HG2 LYS 54 5.276 -14.062 3.431 438 HG3 LYS 54 HG1 LYS 54 4.208 -15.317 2.801 439 HD2 LYS 54 HD2 LYS 54 5.964 -16.373 4.128 440 HD3 LYS 54 HD1 LYS 54 6.204 -16.778 2.429 441 HE2 LYS 54 HE2 LYS 54 8.299 -16.079 3.694 442 HE3 LYS 54 HE1 LYS 54 7.981 -15.186 2.208 443 HZ1 LYS 54 HZ1 LYS 54 7.513 -13.306 3.332 444 HZ2 LYS 54 HZ2 LYS 54 8.486 -14.014 4.530 445 HZ3 LYS 54 HZ3 LYS 54 6.793 -14.117 4.637 446 H ASN 55 HN ASN 55 2.118 -14.094 2.004 447 HA ASN 55 HA ASN 55 1.369 -16.574 0.792 448 HB2 ASN 55 HB2 ASN 55 -0.820 -16.198 1.840 449 HB3 ASN 55 HB1 ASN 55 0.470 -15.774 2.964 450 HD21 ASN 55 HD21 ASN 55 -2.049 -14.631 3.390 451 HD22 ASN 55 HD22 ASN 55 -2.005 -12.980 2.999 452 H ALA 56 HN ALA 56 0.642 -13.221 -0.027 453 HA ALA 56 HA ALA 56 -1.287 -13.922 -2.101 454 HB1 ALA 56 HB1 ALA 56 -1.119 -11.495 -2.674 455 HB2 ALA 56 HB2 ALA 56 0.187 -11.341 -1.500 456 HB3 ALA 56 HB3 ALA 56 -1.436 -11.761 -0.958 457 H GLU 57 HN GLU 57 2.084 -13.941 -1.850 458 HA GLU 57 HA GLU 57 3.817 -14.148 -3.397 459 HB2 GLU 57 HB2 GLU 57 1.511 -15.354 -4.951 460 HB3 GLU 57 HB1 GLU 57 3.192 -15.430 -5.485 461 HG2 GLU 57 HG2 GLU 57 3.837 -16.587 -3.434 462 HG3 GLU 57 HG1 GLU 57 2.197 -16.436 -2.801 463 H LEU 58 HN LEU 58 3.204 -11.605 -3.323 464 HA LEU 58 HA LEU 58 2.638 -10.681 -6.096 465 HB2 LEU 58 HB2 LEU 58 2.885 -9.061 -3.550 466 HB3 LEU 58 HB1 LEU 58 2.331 -8.465 -5.115 467 HG LEU 58 HG LEU 58 0.976 -10.720 -3.612 468 HD11 LEU 58 HD11 LEU 58 -0.752 -8.996 -3.051 469 HD12 LEU 58 HD12 LEU 58 0.338 -7.756 -3.671 470 HD13 LEU 58 HD13 LEU 58 0.798 -8.709 -2.259 471 HD21 LEU 58 HD21 LEU 58 0.313 -9.075 -6.066 472 HD22 LEU 58 HD22 LEU 58 -0.941 -9.926 -5.162 473 HD23 LEU 58 HD23 LEU 58 0.370 -10.831 -5.909 474 HA PRO 59 HA PRO 59 6.964 -9.877 -6.728 475 HB2 PRO 59 HB2 PRO 59 6.831 -7.935 -8.651 476 HB3 PRO 59 HB1 PRO 59 6.437 -9.639 -8.965 477 HG2 PRO 59 HG2 PRO 59 4.596 -7.346 -8.415 478 HG3 PRO 59 HG1 PRO 59 4.461 -8.626 -9.633 479 HD2 PRO 59 HD2 PRO 59 3.075 -8.713 -7.294 480 HD3 PRO 59 HD1 PRO 59 3.654 -10.182 -8.109 481 H LEU 60 HN LEU 60 8.629 -8.339 -6.338 482 HA LEU 60 HA LEU 60 8.061 -6.439 -4.239 483 HB2 LEU 60 HB2 LEU 60 10.592 -6.783 -5.865 484 HB3 LEU 60 HB1 LEU 60 10.455 -5.979 -4.301 485 HG LEU 60 HG LEU 60 9.827 -8.902 -4.820 486 HD11 LEU 60 HD11 LEU 60 12.243 -8.390 -4.972 487 HD12 LEU 60 HD12 LEU 60 11.878 -9.341 -3.530 488 HD13 LEU 60 HD13 LEU 60 12.170 -7.608 -3.393 489 HD21 LEU 60 HD21 LEU 60 9.977 -8.841 -2.199 490 HD22 LEU 60 HD22 LEU 60 8.494 -8.295 -2.977 491 HD23 LEU 60 HD23 LEU 60 9.667 -7.115 -2.393 492 H LEU 61 HN LEU 61 7.989 -4.244 -4.285 493 HA LEU 61 HA LEU 61 7.372 -2.967 -6.840 494 HB2 LEU 61 HB2 LEU 61 7.409 -2.068 -3.962 495 HB3 LEU 61 HB1 LEU 61 7.195 -0.905 -5.270 496 HG LEU 61 HG LEU 61 5.268 -2.227 -6.107 497 HD11 LEU 61 HD11 LEU 61 5.709 -4.440 -5.394 498 HD12 LEU 61 HD12 LEU 61 4.352 -3.934 -4.389 499 HD13 LEU 61 HD13 LEU 61 5.986 -3.943 -3.725 500 HD21 LEU 61 HD21 LEU 61 3.770 -1.777 -4.081 501 HD22 LEU 61 HD22 LEU 61 4.712 -0.404 -4.662 502 HD23 LEU 61 HD23 LEU 61 5.234 -1.289 -3.228 503 H GLU 62 HN GLU 62 8.585 -1.406 -7.884 504 HA GLU 62 HA GLU 62 11.465 -1.446 -7.348 505 HB2 GLU 62 HB2 GLU 62 9.815 -0.051 -9.468 506 HB3 GLU 62 HB1 GLU 62 11.577 -0.044 -9.416 507 HG2 GLU 62 HG2 GLU 62 9.866 -2.545 -9.556 508 HG3 GLU 62 HG1 GLU 62 10.673 -1.802 -10.937 509 H GLN 63 HN GLN 63 12.743 0.377 -7.002 510 HA GLN 63 HA GLN 63 11.536 2.378 -5.257 511 HB2 GLN 63 HB2 GLN 63 13.737 1.330 -4.775 512 HB3 GLN 63 HB1 GLN 63 14.390 2.091 -6.223 513 HG2 GLN 63 HG2 GLN 63 13.980 4.303 -5.316 514 HG3 GLN 63 HG1 GLN 63 13.139 3.619 -3.925 515 HE21 GLN 63 HE21 GLN 63 15.439 5.284 -3.568 516 HE22 GLN 63 HE22 GLN 63 16.701 4.330 -2.956 517 H GLY 64 HN GLY 64 11.160 4.486 -5.724 518 HA2 GLY 64 HA2 GLY 64 11.240 6.531 -6.902 519 HA3 GLY 64 HA1 GLY 64 12.329 5.788 -8.073 520 H GLU 65 HN GLU 65 9.722 3.749 -7.640 521 HA GLU 65 HA GLU 65 8.372 4.856 -10.078 522 HB2 GLU 65 HB2 GLU 65 8.566 2.024 -9.033 523 HB3 GLU 65 HB1 GLU 65 7.580 2.501 -10.414 524 HG2 GLU 65 HG2 GLU 65 10.582 2.903 -10.198 525 HG3 GLU 65 HG1 GLU 65 9.798 1.617 -11.113 526 H SER 66 HN SER 66 6.158 4.983 -10.166 527 HA SER 66 HA SER 66 4.796 5.249 -7.585 528 HB2 SER 66 HB2 SER 66 2.885 6.025 -9.055 529 HB3 SER 66 HB1 SER 66 4.360 6.980 -9.183 530 HG SER 66 HG SER 66 4.790 6.076 -11.113 531 H TYR 67 HN TYR 67 2.853 4.135 -7.039 532 HA TYR 67 HA TYR 67 2.120 1.790 -8.700 533 HB2 TYR 67 HB2 TYR 67 3.060 1.633 -5.831 534 HB3 TYR 67 HB1 TYR 67 2.149 0.346 -6.623 535 HD1 TYR 67 HD2 TYR 67 3.059 -0.616 -8.807 536 HD2 TYR 67 HD1 TYR 67 5.402 1.833 -6.168 537 HE1 TYR 67 HE2 TYR 67 5.134 -1.463 -9.866 538 HE2 TYR 67 HE1 TYR 67 7.478 0.987 -7.228 539 HH TYR 67 HH TYR 67 7.837 -0.163 -9.907 540 H LEU 68 HN LEU 68 0.025 1.130 -8.431 541 HA LEU 68 HA LEU 68 -1.709 2.879 -6.740 542 HB2 LEU 68 HB2 LEU 68 -2.254 3.052 -9.096 543 HB3 LEU 68 HB1 LEU 68 -2.280 1.300 -9.267 544 HG LEU 68 HG LEU 68 -4.242 1.131 -7.852 545 HD11 LEU 68 HD11 LEU 68 -5.315 3.397 -7.139 546 HD12 LEU 68 HD12 LEU 68 -3.693 4.052 -7.361 547 HD13 LEU 68 HD13 LEU 68 -3.971 2.772 -6.183 548 HD21 LEU 68 HD21 LEU 68 -5.849 2.181 -9.275 549 HD22 LEU 68 HD22 LEU 68 -4.459 1.827 -10.301 550 HD23 LEU 68 HD23 LEU 68 -4.725 3.468 -9.711 551 H LEU 69 HN LEU 69 -2.497 1.920 -4.971 552 HA LEU 69 HA LEU 69 -2.546 -1.053 -4.799 553 HB2 LEU 69 HB2 LEU 69 -2.909 1.008 -2.608 554 HB3 LEU 69 HB1 LEU 69 -2.686 -0.727 -2.396 555 HG LEU 69 HG LEU 69 -0.669 1.175 -3.626 556 HD11 LEU 69 HD11 LEU 69 0.589 0.913 -1.610 557 HD12 LEU 69 HD12 LEU 69 -0.465 -0.379 -1.039 558 HD13 LEU 69 HD13 LEU 69 -1.060 1.280 -1.105 559 HD21 LEU 69 HD21 LEU 69 0.789 -0.983 -3.264 560 HD22 LEU 69 HD22 LEU 69 -0.251 -0.883 -4.681 561 HD23 LEU 69 HD23 LEU 69 -0.763 -1.822 -3.278 562 H ARG 70 HN ARG 70 -4.427 -2.143 -4.704 563 HA ARG 70 HA ARG 70 -6.956 -0.600 -4.289 564 HB2 ARG 70 HB2 ARG 70 -6.386 -2.722 -6.366 565 HB3 ARG 70 HB1 ARG 70 -8.000 -2.106 -6.002 566 HG2 ARG 70 HG2 ARG 70 -7.314 0.159 -6.602 567 HG3 ARG 70 HG1 ARG 70 -5.658 -0.386 -6.857 568 HD2 ARG 70 HD2 ARG 70 -6.792 -0.195 -9.013 569 HD3 ARG 70 HD1 ARG 70 -6.461 -1.893 -8.670 570 HE ARG 70 HE ARG 70 -8.797 -2.264 -8.404 571 HH11 ARG 70 HH21 ARG 70 -8.012 1.092 -8.730 572 HH12 ARG 70 HH22 ARG 70 -9.658 1.578 -8.964 573 HH21 ARG 70 HH11 ARG 70 -10.927 -1.634 -8.709 574 HH22 ARG 70 HH12 ARG 70 -11.306 0.038 -8.952 575 H SER 71 HN SER 71 -8.498 -1.579 -3.095 576 HA SER 71 HA SER 71 -9.358 -2.956 -1.438 577 HB2 SER 71 HB2 SER 71 -9.076 -5.488 -1.998 578 HB3 SER 71 HB1 SER 71 -10.009 -4.475 -3.094 579 HG SER 71 HG SER 71 -8.563 -5.636 -4.309 580 H VAL 72 HN VAL 72 -7.325 -1.874 -0.326 581 HA VAL 72 HA VAL 72 -5.619 -4.078 0.798 582 HB VAL 72 HB VAL 72 -4.120 -2.105 1.515 583 HG11 VAL 72 HG11 VAL 72 -2.947 -2.142 -0.587 584 HG12 VAL 72 HG12 VAL 72 -4.415 -2.573 -1.464 585 HG13 VAL 72 HG13 VAL 72 -3.668 -3.733 -0.364 586 HG21 VAL 72 HG21 VAL 72 -5.959 -0.410 0.957 587 HG22 VAL 72 HG22 VAL 72 -5.584 -0.706 -0.741 588 HG23 VAL 72 HG23 VAL 72 -4.354 -0.038 0.331 589 H VAL 73 HN VAL 73 -5.783 -4.485 2.918 590 HA VAL 73 HA VAL 73 -7.726 -2.890 4.484 591 HB VAL 73 HB VAL 73 -7.908 -5.393 4.351 592 HG11 VAL 73 HG11 VAL 73 -5.481 -5.384 6.166 593 HG12 VAL 73 HG12 VAL 73 -5.392 -5.754 4.443 594 HG13 VAL 73 HG13 VAL 73 -6.335 -6.784 5.518 595 HG21 VAL 73 HG21 VAL 73 -7.347 -4.348 7.138 596 HG22 VAL 73 HG22 VAL 73 -8.443 -5.657 6.694 597 HG23 VAL 73 HG23 VAL 73 -8.822 -3.996 6.237 598 H VAL 74 HN VAL 74 -7.156 -1.665 6.203 599 HA VAL 74 HA VAL 74 -4.261 -1.336 6.752 600 HB VAL 74 HB VAL 74 -5.291 0.603 8.234 601 HG11 VAL 74 HG11 VAL 74 -5.318 0.592 5.202 602 HG12 VAL 74 HG12 VAL 74 -3.948 0.991 6.239 603 HG13 VAL 74 HG13 VAL 74 -5.361 2.044 6.202 604 HG21 VAL 74 HG21 VAL 74 -7.463 1.327 7.589 605 HG22 VAL 74 HG22 VAL 74 -7.630 -0.410 7.834 606 HG23 VAL 74 HG23 VAL 74 -7.503 0.240 6.199 607 H GLY 75 HN GLY 75 -3.325 -2.239 8.441 608 HA2 GLY 75 HA2 GLY 75 -5.022 -3.452 10.567 609 HA3 GLY 75 HA1 GLY 75 -3.350 -3.884 10.218 610 H GLU 76 HN GLU 76 -4.780 -2.932 12.700 611 HA GLU 76 HA GLU 76 -3.955 -0.326 13.443 612 HB2 GLU 76 HB2 GLU 76 -4.241 -1.103 15.757 613 HB3 GLU 76 HB1 GLU 76 -5.551 -1.708 14.745 614 HG2 GLU 76 HG2 GLU 76 -4.266 -3.856 14.475 615 HG3 GLU 76 HG1 GLU 76 -3.099 -3.246 15.649 616 H TYR 77 HN TYR 77 -2.057 0.485 14.231 617 HA TYR 77 HA TYR 77 0.195 -1.399 14.764 618 HB2 TYR 77 HB2 TYR 77 0.377 -0.554 12.427 619 HB3 TYR 77 HB1 TYR 77 0.404 1.095 13.052 620 HD1 TYR 77 HD2 TYR 77 2.141 -2.202 13.324 621 HD2 TYR 77 HD1 TYR 77 2.440 2.060 13.763 622 HE1 TYR 77 HE2 TYR 77 4.576 -2.416 13.733 623 HE2 TYR 77 HE1 TYR 77 4.876 1.845 14.172 624 HH TYR 77 HH TYR 77 6.626 0.459 14.158 625 H ASN 78 HN ASN 78 -0.395 -0.891 16.945 626 HA ASN 78 HA ASN 78 -0.673 0.647 18.814 627 HB2 ASN 78 HB2 ASN 78 1.313 -0.771 19.047 628 HB3 ASN 78 HB1 ASN 78 2.272 0.418 18.168 629 HD21 ASN 78 HD21 ASN 78 0.390 -0.029 21.185 630 HD22 ASN 78 HD22 ASN 78 1.194 1.191 22.049 631 H ASP 79 HN ASP 79 2.209 2.080 17.347 632 HA ASP 79 HA ASP 79 1.777 4.716 18.140 633 HB2 ASP 79 HB2 ASP 79 3.824 3.831 16.962 634 HB3 ASP 79 HB1 ASP 79 2.917 3.914 15.452 635 H ARG 80 HN ARG 80 1.167 3.707 14.769 636 HA ARG 80 HA ARG 80 -1.328 5.365 14.795 637 HB2 ARG 80 HB2 ARG 80 0.825 5.372 12.665 638 HB3 ARG 80 HB1 ARG 80 -0.718 6.221 12.558 639 HG2 ARG 80 HG2 ARG 80 -0.145 7.528 14.564 640 HG3 ARG 80 HG1 ARG 80 1.398 6.684 14.675 641 HD2 ARG 80 HD2 ARG 80 0.541 8.265 12.237 642 HD3 ARG 80 HD1 ARG 80 1.519 8.943 13.538 643 HE ARG 80 HE ARG 80 2.798 6.570 12.702 644 HH11 ARG 80 HH21 ARG 80 1.907 9.671 11.468 645 HH12 ARG 80 HH22 ARG 80 3.223 9.742 10.343 646 HH21 ARG 80 HH11 ARG 80 4.512 6.656 11.242 647 HH22 ARG 80 HH12 ARG 80 4.694 8.038 10.215 648 H PHE 81 HN PHE 81 -1.008 4.667 11.711 649 HA PHE 81 HA PHE 81 -2.140 1.900 11.904 650 HB2 PHE 81 HB2 PHE 81 -3.135 4.182 10.174 651 HB3 PHE 81 HB1 PHE 81 -3.790 2.545 10.201 652 HD1 PHE 81 HD2 PHE 81 -4.980 1.694 12.194 653 HD2 PHE 81 HD1 PHE 81 -3.590 5.751 11.967 654 HE1 PHE 81 HE2 PHE 81 -6.435 2.300 14.108 655 HE2 PHE 81 HE1 PHE 81 -5.045 6.357 13.882 656 HZ PHE 81 HZ PHE 81 -6.468 4.631 14.952 657 H GLN 82 HN GLN 82 -1.857 0.616 10.009 658 HA GLN 82 HA GLN 82 0.151 1.643 8.031 659 HB2 GLN 82 HB2 GLN 82 0.183 -1.011 9.489 660 HB3 GLN 82 HB1 GLN 82 1.223 -0.616 8.118 661 HG2 GLN 82 HG2 GLN 82 2.136 1.306 9.375 662 HG3 GLN 82 HG1 GLN 82 1.121 0.884 10.750 663 HE21 GLN 82 HE21 GLN 82 3.577 0.801 11.616 664 HE22 GLN 82 HE22 GLN 82 4.285 -0.741 11.581 665 H VAL 83 HN VAL 83 0.180 0.364 6.019 666 HA VAL 83 HA VAL 83 -2.550 -0.676 5.380 667 HB VAL 83 HB VAL 83 -2.060 -0.175 3.065 668 HG11 VAL 83 HG11 VAL 83 -2.885 1.710 4.288 669 HG12 VAL 83 HG12 VAL 83 -1.565 2.304 3.283 670 HG13 VAL 83 HG13 VAL 83 -1.305 2.022 5.003 671 HG21 VAL 83 HG21 VAL 83 0.219 -0.720 2.792 672 HG22 VAL 83 HG22 VAL 83 0.724 0.314 4.127 673 HG23 VAL 83 HG23 VAL 83 0.184 1.032 2.609 674 H GLN 84 HN GLN 84 -2.801 -2.789 5.010 675 HA GLN 84 HA GLN 84 -0.353 -4.486 4.721 676 HB2 GLN 84 HB2 GLN 84 -3.155 -5.123 5.671 677 HB3 GLN 84 HB1 GLN 84 -1.897 -6.338 5.436 678 HG2 GLN 84 HG2 GLN 84 -0.448 -5.150 7.045 679 HG3 GLN 84 HG1 GLN 84 -1.705 -3.936 7.281 680 HE21 GLN 84 HE21 GLN 84 -1.324 -4.905 9.629 681 HE22 GLN 84 HE22 GLN 84 -2.337 -6.197 10.057 682 H VAL 85 HN VAL 85 0.011 -5.418 2.803 683 HA VAL 85 HA VAL 85 -2.189 -5.456 0.782 684 HB VAL 85 HB VAL 85 0.802 -5.735 0.388 685 HG11 VAL 85 HG11 VAL 85 -0.325 -6.820 -1.411 686 HG12 VAL 85 HG12 VAL 85 0.067 -5.210 -2.012 687 HG13 VAL 85 HG13 VAL 85 -1.574 -5.577 -1.480 688 HG21 VAL 85 HG21 VAL 85 0.438 -3.417 -0.678 689 HG22 VAL 85 HG22 VAL 85 0.405 -3.488 1.084 690 HG23 VAL 85 HG23 VAL 85 -1.104 -3.392 0.177 691 H ASN 86 HN ASN 86 -3.139 -7.368 0.482 692 HA ASN 86 HA ASN 86 -1.522 -9.849 0.498 693 HB2 ASN 86 HB2 ASN 86 -3.278 -10.959 1.945 694 HB3 ASN 86 HB1 ASN 86 -2.243 -9.806 2.786 695 HD21 ASN 86 HD21 ASN 86 -3.244 -7.419 2.720 696 HD22 ASN 86 HD22 ASN 86 -4.910 -7.334 3.031 697 H LYS 87 HN LYS 87 -3.300 -11.731 0.131 698 HA LYS 87 HA LYS 87 -4.092 -11.769 -2.469 699 HB2 LYS 87 HB2 LYS 87 -4.352 -13.643 -0.801 700 HB3 LYS 87 HB1 LYS 87 -5.856 -12.884 -0.280 701 HG2 LYS 87 HG2 LYS 87 -6.803 -13.107 -2.510 702 HG3 LYS 87 HG1 LYS 87 -5.272 -13.717 -3.137 703 HD2 LYS 87 HD2 LYS 87 -5.445 -15.679 -1.652 704 HD3 LYS 87 HD1 LYS 87 -6.979 -15.073 -1.027 705 HE2 LYS 87 HE2 LYS 87 -7.963 -15.196 -3.277 706 HE3 LYS 87 HE1 LYS 87 -6.427 -15.763 -3.931 707 HZ1 LYS 87 HZ1 LYS 87 -7.689 -17.201 -1.695 708 HZ2 LYS 87 HZ2 LYS 87 -6.619 -17.783 -2.880 709 HZ3 LYS 87 HZ3 LYS 87 -8.239 -17.463 -3.278 710 H ASN 88 HN ASN 88 -6.098 -11.464 -3.600 711 HA ASN 88 HA ASN 88 -8.093 -10.349 -4.129 712 HB2 ASN 88 HB2 ASN 88 -8.454 -10.713 -1.494 713 HB3 ASN 88 HB1 ASN 88 -8.215 -8.968 -1.460 714 HD21 ASN 88 HD21 ASN 88 -9.430 -9.032 -4.373 715 HD22 ASN 88 HD22 ASN 88 -11.099 -9.063 -4.070 716 H SER 89 HN SER 89 -5.452 -8.769 -2.508 717 HA SER 89 HA SER 89 -6.087 -6.088 -3.421 718 HB2 SER 89 HB2 SER 89 -4.659 -6.660 -1.415 719 HB3 SER 89 HB1 SER 89 -3.396 -7.141 -2.543 720 HG SER 89 HG SER 89 -4.279 -4.647 -1.815 721 H SER 90 HN SER 90 -4.983 -4.899 -5.049 722 HA SER 90 HA SER 90 -3.465 -6.532 -7.055 723 HB2 SER 90 HB2 SER 90 -5.830 -6.220 -7.785 724 HB3 SER 90 HB1 SER 90 -5.597 -4.477 -7.695 725 HG SER 90 HG SER 90 -3.582 -5.414 -9.072 726 H ILE 91 HN ILE 91 -1.774 -5.478 -8.010 727 HA ILE 91 HA ILE 91 -1.272 -2.629 -7.214 728 HB ILE 91 HB ILE 91 0.706 -4.912 -7.465 729 HG12 ILE 91 HG12 ILE 91 0.030 -3.183 -5.070 730 HG13 ILE 91 HG11 ILE 91 -0.727 -4.746 -5.369 731 HG21 ILE 91 HG21 ILE 91 1.839 -2.992 -8.274 732 HG22 ILE 91 HG22 ILE 91 2.283 -3.071 -6.570 733 HG23 ILE 91 HG23 ILE 91 1.050 -1.930 -7.110 734 HD11 ILE 91 HD11 ILE 91 1.384 -4.660 -3.841 735 HD12 ILE 91 HD12 ILE 91 2.277 -4.494 -5.350 736 HD13 ILE 91 HD13 ILE 91 1.283 -5.923 -5.065 737 H GLU 92 HN GLU 92 -0.884 -1.287 -8.881 738 HA GLU 92 HA GLU 92 -0.120 -2.470 -11.534 739 HB2 GLU 92 HB2 GLU 92 -2.506 -1.812 -11.525 740 HB3 GLU 92 HB1 GLU 92 -2.041 -0.173 -11.061 741 HG2 GLU 92 HG2 GLU 92 -0.747 0.076 -13.122 742 HG3 GLU 92 HG1 GLU 92 -1.111 -1.590 -13.576 743 H LYS 93 HN LYS 93 1.586 -1.525 -12.479 744 HA LYS 93 HA LYS 93 3.013 0.595 -11.061 745 HB2 LYS 93 HB2 LYS 93 4.200 -1.313 -12.105 746 HB3 LYS 93 HB1 LYS 93 3.645 -0.773 -13.690 747 HG2 LYS 93 HG2 LYS 93 4.836 1.355 -13.406 748 HG3 LYS 93 HG1 LYS 93 5.352 0.866 -11.792 749 HD2 LYS 93 HD2 LYS 93 6.573 -1.051 -12.768 750 HD3 LYS 93 HD1 LYS 93 6.070 -0.543 -14.381 751 HE2 LYS 93 HE2 LYS 93 7.239 1.607 -14.077 752 HE3 LYS 93 HE1 LYS 93 7.737 1.110 -12.460 753 HZ1 LYS 93 HZ1 LYS 93 9.362 0.764 -14.384 754 HZ2 LYS 93 HZ2 LYS 93 8.370 -0.546 -14.818 755 HZ3 LYS 93 HZ3 LYS 93 9.131 -0.521 -13.299 756 H LEU 94 HN LEU 94 2.873 2.711 -11.492 757 HA LEU 94 HA LEU 94 1.400 3.595 -13.936 758 HB2 LEU 94 HB2 LEU 94 1.824 4.741 -11.191 759 HB3 LEU 94 HB1 LEU 94 1.444 5.829 -12.526 760 HG LEU 94 HG LEU 94 -0.583 4.534 -13.024 761 HD11 LEU 94 HD11 LEU 94 -0.092 2.316 -12.420 762 HD12 LEU 94 HD12 LEU 94 -1.236 2.815 -11.180 763 HD13 LEU 94 HD13 LEU 94 0.490 2.773 -10.820 764 HD21 LEU 94 HD21 LEU 94 -0.721 6.383 -11.401 765 HD22 LEU 94 HD22 LEU 94 -0.333 5.269 -10.090 766 HD23 LEU 94 HD23 LEU 94 -1.847 5.094 -10.977 767 H SER 95 HN SER 95 2.422 4.694 -15.487 768 HA SER 95 HA SER 95 5.308 5.087 -15.358 769 HB2 SER 95 HB2 SER 95 4.014 4.453 -17.448 770 HB3 SER 95 HB1 SER 95 3.362 6.087 -17.454 771 HG SER 95 HG SER 95 5.573 6.816 -17.485 772 H GLU 96 HN GLU 96 2.670 6.843 -14.244 773 HA GLU 96 HA GLU 96 4.000 9.469 -14.687 774 HB2 GLU 96 HB2 GLU 96 1.236 8.826 -13.644 775 HB3 GLU 96 HB1 GLU 96 1.891 10.450 -13.880 776 HG2 GLU 96 HG2 GLU 96 2.364 9.750 -16.304 777 HG3 GLU 96 HG1 GLU 96 1.334 8.354 -15.986 778 HA PRO 97 HA PRO 97 5.357 8.761 -10.398 779 HB2 PRO 97 HB2 PRO 97 7.310 10.666 -10.348 780 HB3 PRO 97 HB1 PRO 97 7.521 9.094 -11.145 781 HG2 PRO 97 HG2 PRO 97 6.922 11.755 -12.343 782 HG3 PRO 97 HG1 PRO 97 7.963 10.454 -12.947 783 HD2 PRO 97 HD2 PRO 97 5.394 10.937 -13.848 784 HD3 PRO 97 HD1 PRO 97 6.208 9.365 -13.975 785 H ILE 98 HN ILE 98 5.102 9.867 -8.423 786 HA ILE 98 HA ILE 98 3.162 12.056 -8.499 787 HB ILE 98 HB ILE 98 4.454 10.736 -6.101 788 HG12 ILE 98 HG12 ILE 98 1.835 10.097 -7.501 789 HG13 ILE 98 HG11 ILE 98 3.301 9.127 -7.632 790 HG21 ILE 98 HG21 ILE 98 3.304 12.938 -5.725 791 HG22 ILE 98 HG22 ILE 98 2.511 11.595 -4.900 792 HG23 ILE 98 HG23 ILE 98 1.831 12.236 -6.396 793 HD11 ILE 98 HD11 ILE 98 1.612 9.619 -5.174 794 HD12 ILE 98 HD12 ILE 98 3.252 8.975 -5.075 795 HD13 ILE 98 HD13 ILE 98 2.001 8.076 -5.936 796 H GLU 99 HN GLU 99 3.518 14.133 -7.979 797 HA GLU 99 HA GLU 99 5.961 15.412 -8.317 798 HB2 GLU 99 HB2 GLU 99 3.660 16.269 -6.537 799 HB3 GLU 99 HB1 GLU 99 4.959 17.327 -7.084 800 HG2 GLU 99 HG2 GLU 99 3.306 17.752 -8.684 801 HG3 GLU 99 HG1 GLU 99 4.258 16.505 -9.486 802 H VAL 100 HN VAL 100 4.508 15.539 -5.102 803 HA VAL 100 HA VAL 100 5.672 15.804 -3.050 804 HB VAL 100 HB VAL 100 6.680 13.537 -2.420 805 HG11 VAL 100 HG11 VAL 100 4.359 14.094 -1.930 806 HG12 VAL 100 HG12 VAL 100 4.436 12.428 -2.504 807 HG13 VAL 100 HG13 VAL 100 3.884 13.709 -3.584 808 HG21 VAL 100 HG21 VAL 100 6.355 11.700 -3.968 809 HG22 VAL 100 HG22 VAL 100 7.292 12.941 -4.798 810 HG23 VAL 100 HG23 VAL 100 5.571 12.761 -5.139 811 H GLY 101 HN GLY 101 7.170 17.096 -4.995 812 HA2 GLY 101 HA2 GLY 101 9.722 17.311 -3.805 813 HA3 GLY 101 HA1 GLY 101 9.887 16.230 -5.193 814 H LEU 102 HN LEU 102 8.103 19.271 -4.554 815 HA LEU 102 HA LEU 102 8.715 20.210 -7.285 816 HB2 LEU 102 HB2 LEU 102 7.226 21.578 -5.019 817 HB3 LEU 102 HB1 LEU 102 7.253 22.103 -6.704 818 HG LEU 102 HG LEU 102 6.184 19.437 -5.720 819 HD11 LEU 102 HD11 LEU 102 4.665 21.823 -6.813 820 HD12 LEU 102 HD12 LEU 102 4.804 21.445 -5.096 821 HD13 LEU 102 HD13 LEU 102 3.979 20.326 -6.181 822 HD21 LEU 102 HD21 LEU 102 6.848 19.017 -7.926 823 HD22 LEU 102 HD22 LEU 102 6.550 20.678 -8.442 824 HD23 LEU 102 HD23 LEU 102 5.196 19.579 -8.170 825 H GLU 103 HN GLU 103 10.215 20.281 -4.284 826 HA GLU 103 HA GLU 103 11.892 21.633 -3.343 827 HB2 GLU 103 HB2 GLU 103 12.535 21.753 -6.308 828 HB3 GLU 103 HB1 GLU 103 13.636 22.306 -5.042 829 HG2 GLU 103 HG2 GLU 103 13.651 20.076 -4.031 830 HG3 GLU 103 HG1 GLU 103 12.479 19.506 -5.219 831 H HIS 104 HN HIS 104 9.538 23.042 -3.475 832 HA HIS 104 HA HIS 104 9.627 25.506 -4.892 833 HB2 HIS 104 HB2 HIS 104 8.058 26.301 -3.031 834 HB3 HIS 104 HB1 HIS 104 7.546 24.877 -3.933 835 HD1 HIS 104 HD1 HIS 104 8.395 26.034 -0.539 836 HD2 HIS 104 HD2 HIS 104 7.958 22.364 -2.471 837 HE1 HIS 104 HE1 HIS 104 8.182 24.286 1.282 838 H HIS 105 HN HIS 105 11.746 26.303 -4.742 839 HA HIS 105 HA HIS 105 12.879 27.013 -2.127 840 HB2 HIS 105 HB2 HIS 105 14.791 27.809 -3.436 841 HB3 HIS 105 HB1 HIS 105 14.309 26.214 -4.014 842 HD1 HIS 105 HD1 HIS 105 13.179 26.072 -6.358 843 HD2 HIS 105 HD2 HIS 105 14.313 29.936 -5.272 844 HE1 HIS 105 HE1 HIS 105 13.030 27.483 -8.458 845 H HIS 106 HN HIS 106 10.820 28.422 -4.462 846 HA HIS 106 HA HIS 106 11.501 31.200 -3.689 847 HB2 HIS 106 HB2 HIS 106 9.858 31.840 -5.407 848 HB3 HIS 106 HB1 HIS 106 11.025 30.692 -6.060 849 HD1 HIS 106 HD1 HIS 106 10.174 28.102 -6.106 850 HD2 HIS 106 HD2 HIS 106 7.221 31.012 -5.649 851 HE1 HIS 106 HE1 HIS 106 7.969 26.983 -6.659 852 H HIS 107 HN HIS 107 10.779 31.536 -1.629 853 HA HIS 107 HA HIS 107 8.329 30.484 -0.545 854 HB2 HIS 107 HB2 HIS 107 10.155 32.744 0.289 855 HB3 HIS 107 HB1 HIS 107 8.732 32.284 1.222 856 HD1 HIS 107 HD1 HIS 107 12.025 30.852 -0.010 857 HD2 HIS 107 HD2 HIS 107 9.073 30.010 2.809 858 HE1 HIS 107 HE1 HIS 107 12.899 28.932 1.391 859 H HIS 108 HN HIS 108 9.209 33.623 -1.950 860 HA HIS 108 HA HIS 108 6.475 34.077 -2.815 861 HB2 HIS 108 HB2 HIS 108 6.118 36.151 -1.499 862 HB3 HIS 108 HB1 HIS 108 6.243 34.735 -0.457 863 HD1 HIS 108 HD1 HIS 108 8.723 34.331 0.608 864 HD2 HIS 108 HD2 HIS 108 7.945 38.145 -0.888 865 HE1 HIS 108 HE1 HIS 108 10.461 35.869 1.623 866 H HIS 109 HN HIS 109 9.327 34.015 -3.769 867 HA HIS 109 HA HIS 109 9.133 36.280 -5.577 868 HB2 HIS 109 HB2 HIS 109 11.191 37.415 -4.938 869 HB3 HIS 109 HB1 HIS 109 10.105 37.373 -3.551 870 HD1 HIS 109 HD1 HIS 109 10.692 35.662 -1.630 871 HD2 HIS 109 HD2 HIS 109 13.592 35.976 -4.609 872 HE1 HIS 109 HE1 HIS 109 12.787 34.576 -0.710 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -16.622 6.230 -10.614 2 H2 MET 1 HT2 MET 1 -17.956 5.273 -11.054 3 H3 MET 1 HT3 MET 1 -17.514 6.613 -12.002 4 HA MET 1 HA MET 1 -16.587 3.939 -12.155 5 HB2 MET 1 HB2 MET 1 -16.088 6.486 -13.737 6 HB3 MET 1 HB1 MET 1 -15.525 4.894 -14.243 7 HG2 MET 1 HG2 MET 1 -17.823 4.065 -14.321 8 HG3 MET 1 HG1 MET 1 -18.424 5.603 -13.704 9 HE1 MET 1 HE1 MET 1 -16.699 4.557 -17.777 10 HE2 MET 1 HE2 MET 1 -16.540 3.711 -16.240 11 HE3 MET 1 HE3 MET 1 -15.504 5.092 -16.588 12 H GLU 2 HN GLU 2 -15.299 6.804 -10.772 13 HA GLU 2 HA GLU 2 -12.493 6.132 -11.129 14 HB2 GLU 2 HB2 GLU 2 -13.840 8.079 -9.234 15 HB3 GLU 2 HB1 GLU 2 -12.105 8.000 -9.535 16 HG2 GLU 2 HG2 GLU 2 -14.120 8.413 -11.749 17 HG3 GLU 2 HG1 GLU 2 -13.392 9.757 -10.870 18 HA PRO 3 HA PRO 3 -12.138 3.329 -7.686 19 HB2 PRO 3 HB2 PRO 3 -9.488 3.612 -7.070 20 HB3 PRO 3 HB1 PRO 3 -10.053 2.787 -8.540 21 HG2 PRO 3 HG2 PRO 3 -9.075 5.596 -8.213 22 HG3 PRO 3 HG1 PRO 3 -8.677 4.409 -9.469 23 HD2 PRO 3 HD2 PRO 3 -10.503 6.374 -9.889 24 HD3 PRO 3 HD1 PRO 3 -10.661 4.770 -10.633 25 H GLN 4 HN GLN 4 -12.091 3.308 -5.414 26 HA GLN 4 HA GLN 4 -12.543 5.880 -4.133 27 HB2 GLN 4 HB2 GLN 4 -12.249 3.156 -2.837 28 HB3 GLN 4 HB1 GLN 4 -13.045 4.577 -2.156 29 HG2 GLN 4 HG2 GLN 4 -14.836 3.276 -2.994 30 HG3 GLN 4 HG1 GLN 4 -14.571 4.486 -4.247 31 HE21 GLN 4 HE21 GLN 4 -13.784 1.083 -3.400 32 HE22 GLN 4 HE22 GLN 4 -13.570 0.578 -5.006 33 H LEU 5 HN LEU 5 -10.575 6.979 -4.305 34 HA LEU 5 HA LEU 5 -8.096 5.820 -3.258 35 HB2 LEU 5 HB2 LEU 5 -8.763 8.654 -4.107 36 HB3 LEU 5 HB1 LEU 5 -7.142 8.043 -3.771 37 HG LEU 5 HG LEU 5 -9.000 6.958 -5.909 38 HD11 LEU 5 HD11 LEU 5 -6.666 8.875 -6.013 39 HD12 LEU 5 HD12 LEU 5 -8.294 9.108 -6.647 40 HD13 LEU 5 HD13 LEU 5 -7.199 7.969 -7.427 41 HD21 LEU 5 HD21 LEU 5 -7.592 5.162 -5.385 42 HD22 LEU 5 HD22 LEU 5 -6.248 6.211 -4.929 43 HD23 LEU 5 HD23 LEU 5 -6.651 5.975 -6.631 44 H THR 6 HN THR 6 -7.187 6.230 -1.286 45 HA THR 6 HA THR 6 -8.688 8.026 0.589 46 HB THR 6 HB THR 6 -7.456 5.334 1.225 47 HG1 THR 6 HG1 THR 6 -10.087 6.301 0.895 48 HG21 THR 6 HG21 THR 6 -7.182 6.778 3.114 49 HG22 THR 6 HG22 THR 6 -8.608 5.794 3.449 50 HG23 THR 6 HG23 THR 6 -8.793 7.461 2.904 51 H LYS 7 HN LYS 7 -7.473 9.473 1.586 52 HA LYS 7 HA LYS 7 -4.598 9.607 1.040 53 HB2 LYS 7 HB2 LYS 7 -6.318 11.398 2.774 54 HB3 LYS 7 HB1 LYS 7 -4.728 11.780 2.122 55 HG2 LYS 7 HG2 LYS 7 -7.191 11.206 0.447 56 HG3 LYS 7 HG1 LYS 7 -6.570 12.818 0.799 57 HD2 LYS 7 HD2 LYS 7 -4.341 11.973 -0.203 58 HD3 LYS 7 HD1 LYS 7 -5.289 10.636 -0.851 59 HE2 LYS 7 HE2 LYS 7 -6.763 12.198 -2.015 60 HE3 LYS 7 HE1 LYS 7 -5.882 13.566 -1.333 61 HZ1 LYS 7 HZ1 LYS 7 -3.853 12.399 -2.395 62 HZ2 LYS 7 HZ2 LYS 7 -4.891 13.318 -3.376 63 HZ3 LYS 7 HZ3 LYS 7 -5.008 11.623 -3.363 64 H ILE 8 HN ILE 8 -2.985 9.720 2.676 65 HA ILE 8 HA ILE 8 -3.210 7.749 4.723 66 HB ILE 8 HB ILE 8 -1.226 10.000 4.317 67 HG12 ILE 8 HG12 ILE 8 -0.940 7.020 3.838 68 HG13 ILE 8 HG11 ILE 8 -1.422 8.160 2.581 69 HG21 ILE 8 HG21 ILE 8 -1.237 7.691 6.275 70 HG22 ILE 8 HG22 ILE 8 -1.090 9.410 6.639 71 HG23 ILE 8 HG23 ILE 8 0.231 8.564 5.833 72 HD11 ILE 8 HD11 ILE 8 0.987 7.776 2.452 73 HD12 ILE 8 HD12 ILE 8 1.174 8.217 4.150 74 HD13 ILE 8 HD13 ILE 8 0.684 9.434 2.970 75 H VAL 9 HN VAL 9 -3.360 11.288 4.834 76 HA VAL 9 HA VAL 9 -3.656 11.508 7.683 77 HB VAL 9 HB VAL 9 -3.033 13.388 6.157 78 HG11 VAL 9 HG11 VAL 9 -5.974 13.507 5.456 79 HG12 VAL 9 HG12 VAL 9 -4.779 12.735 4.415 80 HG13 VAL 9 HG13 VAL 9 -4.655 14.457 4.771 81 HG21 VAL 9 HG21 VAL 9 -4.217 15.085 7.368 82 HG22 VAL 9 HG22 VAL 9 -4.027 13.722 8.470 83 HG23 VAL 9 HG23 VAL 9 -5.577 14.006 7.678 84 H ASP 10 HN ASP 10 -5.869 10.673 5.144 85 HA ASP 10 HA ASP 10 -8.298 11.237 6.675 86 HB2 ASP 10 HB2 ASP 10 -8.191 11.267 4.171 87 HB3 ASP 10 HB1 ASP 10 -7.924 9.526 4.198 88 H ILE 11 HN ILE 11 -5.939 8.913 6.982 89 HA ILE 11 HA ILE 11 -7.655 6.600 7.489 90 HB ILE 11 HB ILE 11 -4.732 7.120 8.115 91 HG12 ILE 11 HG12 ILE 11 -6.012 5.321 6.037 92 HG13 ILE 11 HG11 ILE 11 -5.474 6.964 5.695 93 HG21 ILE 11 HG21 ILE 11 -6.466 4.663 8.466 94 HG22 ILE 11 HG22 ILE 11 -5.477 5.469 9.682 95 HG23 ILE 11 HG23 ILE 11 -4.707 4.576 8.370 96 HD11 ILE 11 HD11 ILE 11 -3.770 4.629 6.599 97 HD12 ILE 11 HD12 ILE 11 -3.184 6.290 6.542 98 HD13 ILE 11 HD13 ILE 11 -3.685 5.479 5.058 99 H VAL 12 HN VAL 12 -8.871 6.437 9.246 100 HA VAL 12 HA VAL 12 -7.831 7.396 11.875 101 HB VAL 12 HB VAL 12 -10.278 8.061 12.362 102 HG11 VAL 12 HG11 VAL 12 -9.947 10.295 11.333 103 HG12 VAL 12 HG12 VAL 12 -8.639 9.630 10.353 104 HG13 VAL 12 HG13 VAL 12 -8.478 9.699 12.109 105 HG21 VAL 12 HG21 VAL 12 -11.723 8.508 10.529 106 HG22 VAL 12 HG22 VAL 12 -11.050 6.918 10.174 107 HG23 VAL 12 HG23 VAL 12 -10.418 8.346 9.352 108 H GLU 13 HN GLU 13 -9.038 4.895 10.021 109 HA GLU 13 HA GLU 13 -9.713 3.343 12.477 110 HB2 GLU 13 HB2 GLU 13 -11.386 3.502 9.961 111 HB3 GLU 13 HB1 GLU 13 -11.600 2.264 11.197 112 HG2 GLU 13 HG2 GLU 13 -11.770 5.252 11.697 113 HG3 GLU 13 HG1 GLU 13 -13.162 4.188 11.490 114 H ASN 14 HN ASN 14 -8.948 1.313 12.464 115 HA ASN 14 HA ASN 14 -7.253 0.496 10.180 116 HB2 ASN 14 HB2 ASN 14 -6.440 -1.251 11.738 117 HB3 ASN 14 HB1 ASN 14 -6.303 0.360 12.439 118 HD21 ASN 14 HD21 ASN 14 -6.803 -2.495 13.633 119 HD22 ASN 14 HD22 ASN 14 -8.106 -2.242 14.690 120 H GLY 15 HN GLY 15 -7.378 -1.722 9.381 121 HA2 GLY 15 HA2 GLY 15 -8.507 -3.687 8.714 122 HA3 GLY 15 HA1 GLY 15 -9.770 -3.324 9.892 123 H GLN 16 HN GLN 16 -9.262 -0.565 8.158 124 HA GLN 16 HA GLN 16 -11.770 -0.879 6.701 125 HB2 GLN 16 HB2 GLN 16 -11.177 1.261 7.749 126 HB3 GLN 16 HB1 GLN 16 -9.763 1.389 6.704 127 HG2 GLN 16 HG2 GLN 16 -11.153 1.517 4.727 128 HG3 GLN 16 HG1 GLN 16 -12.602 1.165 5.669 129 HE21 GLN 16 HE21 GLN 16 -10.416 3.703 4.681 130 HE22 GLN 16 HE22 GLN 16 -11.200 4.965 5.500 131 H TRP 17 HN TRP 17 -12.064 -1.192 4.556 132 HA TRP 17 HA TRP 17 -9.699 -1.943 2.936 133 HB2 TRP 17 HB2 TRP 17 -12.679 -2.248 2.504 134 HB3 TRP 17 HB1 TRP 17 -11.469 -2.732 1.318 135 HD1 TRP 17 HD1 TRP 17 -12.540 -3.503 4.939 136 HE1 TRP 17 HE1 TRP 17 -11.826 -5.918 5.493 137 HE3 TRP 17 HE3 TRP 17 -9.981 -4.667 0.677 138 HZ2 TRP 17 HZ2 TRP 17 -10.366 -8.061 4.287 139 HZ3 TRP 17 HZ3 TRP 17 -8.941 -6.899 0.404 140 HH2 TRP 17 HH2 TRP 17 -9.129 -8.597 2.202 141 H ALA 18 HN ALA 18 -8.944 -0.680 1.304 142 HA ALA 18 HA ALA 18 -10.581 1.115 -0.233 143 HB1 ALA 18 HB1 ALA 18 -10.629 2.482 1.781 144 HB2 ALA 18 HB2 ALA 18 -9.609 3.263 0.575 145 HB3 ALA 18 HB3 ALA 18 -8.874 2.391 1.917 146 H ASN 19 HN ASN 19 -9.052 2.754 -1.437 147 HA ASN 19 HA ASN 19 -6.652 1.194 -2.300 148 HB2 ASN 19 HB2 ASN 19 -8.139 3.424 -3.716 149 HB3 ASN 19 HB1 ASN 19 -6.820 2.467 -4.388 150 HD21 ASN 19 HD21 ASN 19 -9.075 2.280 -5.872 151 HD22 ASN 19 HD22 ASN 19 -9.897 0.822 -5.591 152 H LEU 20 HN LEU 20 -4.652 2.130 -2.348 153 HA LEU 20 HA LEU 20 -4.374 4.948 -1.393 154 HB2 LEU 20 HB2 LEU 20 -3.980 3.390 0.501 155 HB3 LEU 20 HB1 LEU 20 -2.738 2.576 -0.447 156 HG LEU 20 HG LEU 20 -1.482 4.737 -0.591 157 HD11 LEU 20 HD11 LEU 20 -3.851 5.673 1.014 158 HD12 LEU 20 HD12 LEU 20 -3.025 6.471 -0.325 159 HD13 LEU 20 HD13 LEU 20 -2.278 6.429 1.268 160 HD21 LEU 20 HD21 LEU 20 -1.121 2.999 1.222 161 HD22 LEU 20 HD22 LEU 20 -2.107 4.012 2.279 162 HD23 LEU 20 HD23 LEU 20 -0.590 4.631 1.628 163 H LYS 21 HN LYS 21 -2.791 6.086 -2.430 164 HA LYS 21 HA LYS 21 -1.079 4.620 -4.417 165 HB2 LYS 21 HB2 LYS 21 -2.748 5.976 -5.572 166 HB3 LYS 21 HB1 LYS 21 -2.295 7.388 -4.614 167 HG2 LYS 21 HG2 LYS 21 -0.109 7.466 -5.603 168 HG3 LYS 21 HG1 LYS 21 -0.328 5.886 -6.356 169 HD2 LYS 21 HD2 LYS 21 -0.628 7.700 -8.000 170 HD3 LYS 21 HD1 LYS 21 -2.122 6.798 -7.769 171 HE2 LYS 21 HE2 LYS 21 -2.280 9.376 -7.782 172 HE3 LYS 21 HE1 LYS 21 -3.100 8.524 -6.475 173 HZ1 LYS 21 HZ1 LYS 21 -1.123 8.889 -5.093 174 HZ2 LYS 21 HZ2 LYS 21 -1.834 10.349 -5.594 175 HZ3 LYS 21 HZ3 LYS 21 -0.418 9.789 -6.345 176 H ALA 22 HN ALA 22 1.078 5.003 -4.289 177 HA ALA 22 HA ALA 22 2.123 7.425 -3.012 178 HB1 ALA 22 HB1 ALA 22 3.198 6.391 -1.138 179 HB2 ALA 22 HB2 ALA 22 2.710 4.783 -1.673 180 HB3 ALA 22 HB3 ALA 22 1.499 5.917 -1.081 181 H LYS 23 HN LYS 23 4.589 7.235 -2.822 182 HA LYS 23 HA LYS 23 5.641 5.693 -5.169 183 HB2 LYS 23 HB2 LYS 23 5.666 8.162 -5.435 184 HB3 LYS 23 HB1 LYS 23 6.683 8.277 -4.000 185 HG2 LYS 23 HG2 LYS 23 8.415 6.929 -5.081 186 HG3 LYS 23 HG1 LYS 23 7.389 6.715 -6.500 187 HD2 LYS 23 HD2 LYS 23 7.408 9.156 -6.878 188 HD3 LYS 23 HD1 LYS 23 8.452 9.362 -5.470 189 HE2 LYS 23 HE2 LYS 23 10.175 7.952 -6.533 190 HE3 LYS 23 HE1 LYS 23 9.134 7.743 -7.942 191 HZ1 LYS 23 HZ1 LYS 23 9.953 10.413 -6.964 192 HZ2 LYS 23 HZ2 LYS 23 9.286 10.006 -8.473 193 HZ3 LYS 23 HZ3 LYS 23 10.876 9.540 -8.089 194 H VAL 24 HN VAL 24 7.483 4.517 -4.939 195 HA VAL 24 HA VAL 24 8.271 3.847 -2.187 196 HB VAL 24 HB VAL 24 9.367 2.771 -4.797 197 HG11 VAL 24 HG11 VAL 24 9.359 1.761 -1.940 198 HG12 VAL 24 HG12 VAL 24 10.765 2.202 -2.906 199 HG13 VAL 24 HG13 VAL 24 9.823 0.772 -3.325 200 HG21 VAL 24 HG21 VAL 24 7.162 1.590 -3.088 201 HG22 VAL 24 HG22 VAL 24 7.693 1.049 -4.678 202 HG23 VAL 24 HG23 VAL 24 6.837 2.579 -4.509 203 H ILE 25 HN ILE 25 9.789 4.968 -1.173 204 HA ILE 25 HA ILE 25 11.950 6.315 -2.750 205 HB ILE 25 HB ILE 25 12.261 7.662 -0.655 206 HG12 ILE 25 HG12 ILE 25 9.642 6.366 0.170 207 HG13 ILE 25 HG11 ILE 25 11.209 5.937 0.855 208 HG21 ILE 25 HG21 ILE 25 9.452 7.729 -1.792 209 HG22 ILE 25 HG22 ILE 25 10.866 8.420 -2.587 210 HG23 ILE 25 HG23 ILE 25 10.317 9.070 -1.042 211 HD11 ILE 25 HD11 ILE 25 10.137 8.763 0.853 212 HD12 ILE 25 HD12 ILE 25 11.533 8.140 1.732 213 HD13 ILE 25 HD13 ILE 25 9.905 7.640 2.193 214 H GLN 26 HN GLN 26 11.238 4.055 -0.176 215 HA GLN 26 HA GLN 26 13.896 2.897 -0.385 216 HB2 GLN 26 HB2 GLN 26 14.399 4.817 1.076 217 HB3 GLN 26 HB1 GLN 26 13.138 4.296 2.196 218 HG2 GLN 26 HG2 GLN 26 14.313 2.249 2.684 219 HG3 GLN 26 HG1 GLN 26 15.482 2.550 1.398 220 HE21 GLN 26 HE21 GLN 26 14.219 4.843 3.867 221 HE22 GLN 26 HE22 GLN 26 15.739 5.192 4.534 222 H LEU 27 HN LEU 27 13.776 0.794 0.141 223 HA LEU 27 HA LEU 27 11.692 -0.163 2.009 224 HB2 LEU 27 HB2 LEU 27 10.820 -1.812 0.484 225 HB3 LEU 27 HB1 LEU 27 10.742 -0.249 -0.323 226 HG LEU 27 HG LEU 27 12.874 -2.375 -0.745 227 HD11 LEU 27 HD11 LEU 27 10.813 -2.985 -1.826 228 HD12 LEU 27 HD12 LEU 27 11.893 -2.353 -3.068 229 HD13 LEU 27 HD13 LEU 27 10.587 -1.347 -2.439 230 HD21 LEU 27 HD21 LEU 27 13.413 -0.716 -2.710 231 HD22 LEU 27 HD22 LEU 27 14.038 -0.364 -1.103 232 HD23 LEU 27 HD23 LEU 27 12.604 0.479 -1.694 233 H TRP 28 HN TRP 28 12.346 -1.898 3.203 234 HA TRP 28 HA TRP 28 15.027 -3.078 2.524 235 HB2 TRP 28 HB2 TRP 28 13.808 -2.931 5.284 236 HB3 TRP 28 HB1 TRP 28 15.481 -3.275 4.850 237 HD1 TRP 28 HD1 TRP 28 16.463 -1.072 3.146 238 HE1 TRP 28 HE1 TRP 28 16.454 1.408 3.854 239 HE3 TRP 28 HE3 TRP 28 12.855 -1.202 6.756 240 HZ2 TRP 28 HZ2 TRP 28 15.093 3.109 5.712 241 HZ3 TRP 28 HZ3 TRP 28 12.221 0.859 7.976 242 HH2 TRP 28 HH2 TRP 28 13.333 3.012 7.458 243 H GLU 29 HN GLU 29 15.113 -5.228 2.288 244 HA GLU 29 HA GLU 29 12.723 -6.823 2.176 245 HB2 GLU 29 HB2 GLU 29 15.659 -7.579 2.211 246 HB3 GLU 29 HB1 GLU 29 14.357 -8.729 1.910 247 HG2 GLU 29 HG2 GLU 29 14.843 -6.223 0.275 248 HG3 GLU 29 HG1 GLU 29 15.373 -7.837 -0.194 249 H ASN 30 HN ASN 30 11.860 -8.236 3.669 250 HA ASN 30 HA ASN 30 13.006 -8.113 6.429 251 HB2 ASN 30 HB2 ASN 30 10.588 -7.440 5.953 252 HB3 ASN 30 HB1 ASN 30 10.288 -9.137 5.578 253 HD21 ASN 30 HD21 ASN 30 8.802 -8.490 7.650 254 HD22 ASN 30 HD22 ASN 30 9.493 -8.933 9.134 255 H THR 31 HN THR 31 12.171 -10.245 3.785 256 HA THR 31 HA THR 31 12.475 -12.548 3.480 257 HB THR 31 HB THR 31 14.586 -13.439 4.305 258 HG1 THR 31 HG1 THR 31 14.525 -12.775 6.421 259 HG21 THR 31 HG21 THR 31 16.083 -11.816 3.387 260 HG22 THR 31 HG22 THR 31 15.012 -10.485 3.822 261 HG23 THR 31 HG23 THR 31 14.551 -11.601 2.538 262 H HIS 32 HN HIS 32 11.009 -11.353 6.017 263 HA HIS 32 HA HIS 32 11.148 -13.547 7.933 264 HB2 HIS 32 HB2 HIS 32 9.472 -11.070 7.615 265 HB3 HIS 32 HB1 HIS 32 9.013 -12.293 8.800 266 HD1 HIS 32 HD1 HIS 32 12.647 -11.842 8.148 267 HD2 HIS 32 HD2 HIS 32 9.827 -10.453 10.887 268 HE1 HIS 32 HE1 HIS 32 13.950 -10.809 10.060 269 H GLU 33 HN GLU 33 9.627 -15.142 8.281 270 HA GLU 33 HA GLU 33 8.340 -16.311 6.041 271 HB2 GLU 33 HB2 GLU 33 8.974 -17.523 8.136 272 HB3 GLU 33 HB1 GLU 33 7.663 -16.693 8.972 273 HG2 GLU 33 HG2 GLU 33 6.021 -17.689 7.448 274 HG3 GLU 33 HG1 GLU 33 7.314 -18.480 6.550 275 H SER 34 HN SER 34 6.920 -14.469 8.747 276 HA SER 34 HA SER 34 4.245 -14.515 7.638 277 HB2 SER 34 HB2 SER 34 5.558 -12.848 9.786 278 HB3 SER 34 HB1 SER 34 3.862 -12.673 9.351 279 HG SER 34 HG SER 34 3.438 -14.593 10.190 280 H ILE 35 HN ILE 35 6.954 -12.245 7.462 281 HA ILE 35 HA ILE 35 5.358 -10.609 5.507 282 HB ILE 35 HB ILE 35 7.450 -9.672 7.484 283 HG12 ILE 35 HG12 ILE 35 4.519 -8.925 7.271 284 HG13 ILE 35 HG11 ILE 35 5.095 -10.216 8.324 285 HG21 ILE 35 HG21 ILE 35 6.644 -7.397 6.585 286 HG22 ILE 35 HG22 ILE 35 5.962 -8.304 5.234 287 HG23 ILE 35 HG23 ILE 35 7.699 -8.337 5.530 288 HD11 ILE 35 HD11 ILE 35 4.960 -8.212 9.656 289 HD12 ILE 35 HD12 ILE 35 5.846 -7.286 8.444 290 HD13 ILE 35 HD13 ILE 35 6.670 -8.541 9.370 291 H SER 36 HN SER 36 6.194 -10.514 3.534 292 HA SER 36 HA SER 36 8.729 -11.788 2.873 293 HB2 SER 36 HB2 SER 36 6.797 -11.859 1.334 294 HB3 SER 36 HB1 SER 36 6.837 -10.105 1.203 295 HG SER 36 HG SER 36 8.577 -12.037 0.171 296 H GLN 37 HN GLN 37 7.499 -8.448 2.584 297 HA GLN 37 HA GLN 37 10.237 -7.439 3.134 298 HB2 GLN 37 HB2 GLN 37 10.224 -7.586 0.712 299 HB3 GLN 37 HB1 GLN 37 8.660 -6.771 0.631 300 HG2 GLN 37 HG2 GLN 37 10.865 -5.336 2.069 301 HG3 GLN 37 HG1 GLN 37 10.982 -5.428 0.314 302 HE21 GLN 37 HE21 GLN 37 9.295 -4.368 -0.955 303 HE22 GLN 37 HE22 GLN 37 8.249 -3.233 -0.253 304 H VAL 38 HN VAL 38 10.247 -5.349 3.976 305 HA VAL 38 HA VAL 38 7.602 -4.008 4.378 306 HB VAL 38 HB VAL 38 8.311 -5.356 6.403 307 HG11 VAL 38 HG11 VAL 38 10.196 -4.690 7.687 308 HG12 VAL 38 HG12 VAL 38 10.401 -3.201 6.766 309 HG13 VAL 38 HG13 VAL 38 10.792 -4.756 6.030 310 HG21 VAL 38 HG21 VAL 38 8.011 -3.347 7.962 311 HG22 VAL 38 HG22 VAL 38 6.763 -3.572 6.736 312 HG23 VAL 38 HG23 VAL 38 8.012 -2.348 6.511 313 H GLY 39 HN GLY 39 7.684 -1.804 4.187 314 HA2 GLY 39 HA2 GLY 39 10.220 -0.351 4.405 315 HA3 GLY 39 HA1 GLY 39 9.601 -0.475 2.762 316 H LEU 40 HN LEU 40 9.561 1.933 3.019 317 HA LEU 40 HA LEU 40 6.914 2.791 4.120 318 HB2 LEU 40 HB2 LEU 40 8.040 4.992 4.685 319 HB3 LEU 40 HB1 LEU 40 8.473 3.634 5.721 320 HG LEU 40 HG LEU 40 10.186 4.069 3.292 321 HD11 LEU 40 HD11 LEU 40 11.537 5.779 4.454 322 HD12 LEU 40 HD12 LEU 40 10.357 5.820 5.765 323 HD13 LEU 40 HD13 LEU 40 9.899 6.361 4.151 324 HD21 LEU 40 HD21 LEU 40 10.767 3.380 6.196 325 HD22 LEU 40 HD22 LEU 40 11.956 3.384 4.894 326 HD23 LEU 40 HD23 LEU 40 10.635 2.218 4.877 327 H LEU 41 HN LEU 41 5.819 4.270 2.888 328 HA LEU 41 HA LEU 41 7.018 4.937 0.221 329 HB2 LEU 41 HB2 LEU 41 4.082 4.657 0.890 330 HB3 LEU 41 HB1 LEU 41 4.815 4.787 -0.707 331 HG LEU 41 HG LEU 41 5.318 2.499 1.219 332 HD11 LEU 41 HD11 LEU 41 3.842 1.183 -0.153 333 HD12 LEU 41 HD12 LEU 41 3.661 2.497 -1.316 334 HD13 LEU 41 HD13 LEU 41 2.967 2.646 0.299 335 HD21 LEU 41 HD21 LEU 41 6.165 1.463 -0.982 336 HD22 LEU 41 HD22 LEU 41 7.187 2.693 -0.244 337 HD23 LEU 41 HD23 LEU 41 6.161 3.107 -1.618 338 H GLY 42 HN GLY 42 7.039 7.007 -0.388 339 HA2 GLY 42 HA2 GLY 42 6.321 9.066 1.564 340 HA3 GLY 42 HA1 GLY 42 7.148 9.328 0.034 341 H ASP 43 HN ASP 43 5.108 10.988 0.921 342 HA ASP 43 HA ASP 43 3.384 11.074 -1.362 343 HB2 ASP 43 HB2 ASP 43 2.296 9.178 -0.155 344 HB3 ASP 43 HB1 ASP 43 2.029 10.246 1.221 345 H GLU 44 HN GLU 44 2.337 13.060 -1.464 346 HA GLU 44 HA GLU 44 3.358 15.250 -0.015 347 HB2 GLU 44 HB2 GLU 44 0.728 14.925 -1.489 348 HB3 GLU 44 HB1 GLU 44 1.340 16.477 -0.917 349 HG2 GLU 44 HG2 GLU 44 3.381 16.173 -2.272 350 HG3 GLU 44 HG1 GLU 44 2.771 14.622 -2.843 351 H THR 45 HN THR 45 1.061 12.918 0.987 352 HA THR 45 HA THR 45 -0.156 14.702 3.022 353 HB THR 45 HB THR 45 -1.654 12.853 3.470 354 HG1 THR 45 HG1 THR 45 -1.244 10.894 2.158 355 HG21 THR 45 HG21 THR 45 -2.713 12.652 1.345 356 HG22 THR 45 HG22 THR 45 -1.185 12.842 0.487 357 HG23 THR 45 HG23 THR 45 -1.901 14.217 1.329 358 H GLY 46 HN GLY 46 2.519 12.629 2.712 359 HA2 GLY 46 HA2 GLY 46 3.917 12.945 4.911 360 HA3 GLY 46 HA1 GLY 46 2.588 12.060 5.654 361 H ILE 47 HN ILE 47 4.164 10.445 6.239 362 HA ILE 47 HA ILE 47 4.891 8.605 3.985 363 HB ILE 47 HB ILE 47 6.443 9.173 6.528 364 HG12 ILE 47 HG12 ILE 47 7.227 9.577 3.627 365 HG13 ILE 47 HG11 ILE 47 6.588 10.864 4.644 366 HG21 ILE 47 HG21 ILE 47 6.814 7.154 4.303 367 HG22 ILE 47 HG22 ILE 47 6.654 6.834 6.029 368 HG23 ILE 47 HG23 ILE 47 8.113 7.604 5.408 369 HD11 ILE 47 HD11 ILE 47 8.463 10.705 6.149 370 HD12 ILE 47 HD12 ILE 47 9.115 10.772 4.513 371 HD13 ILE 47 HD13 ILE 47 9.034 9.231 5.368 372 H ILE 48 HN ILE 48 4.211 6.542 4.213 373 HA ILE 48 HA ILE 48 3.173 5.656 6.888 374 HB ILE 48 HB ILE 48 1.282 6.236 5.413 375 HG12 ILE 48 HG12 ILE 48 1.547 3.229 5.637 376 HG13 ILE 48 HG11 ILE 48 1.263 4.269 7.033 377 HG21 ILE 48 HG21 ILE 48 2.632 5.677 3.290 378 HG22 ILE 48 HG22 ILE 48 0.935 5.199 3.307 379 HG23 ILE 48 HG23 ILE 48 2.192 3.996 3.597 380 HD11 ILE 48 HD11 ILE 48 -0.857 3.364 6.114 381 HD12 ILE 48 HD12 ILE 48 -0.503 4.143 4.572 382 HD13 ILE 48 HD13 ILE 48 -0.794 5.123 6.008 383 H LYS 49 HN LYS 49 3.608 3.578 7.441 384 HA LYS 49 HA LYS 49 5.668 2.185 5.879 385 HB2 LYS 49 HB2 LYS 49 4.406 1.621 8.560 386 HB3 LYS 49 HB1 LYS 49 5.668 0.619 7.845 387 HG2 LYS 49 HG2 LYS 49 7.084 2.718 7.663 388 HG3 LYS 49 HG1 LYS 49 5.862 3.536 8.638 389 HD2 LYS 49 HD2 LYS 49 7.292 1.006 9.497 390 HD3 LYS 49 HD1 LYS 49 7.794 2.626 9.977 391 HE2 LYS 49 HE2 LYS 49 5.370 2.921 10.830 392 HE3 LYS 49 HE1 LYS 49 5.243 1.171 10.679 393 HZ1 LYS 49 HZ1 LYS 49 6.022 1.279 12.778 394 HZ2 LYS 49 HZ2 LYS 49 6.810 2.766 12.545 395 HZ3 LYS 49 HZ3 LYS 49 7.520 1.329 11.984 396 H PHE 50 HN PHE 50 5.463 0.008 5.144 397 HA PHE 50 HA PHE 50 2.713 -1.131 5.125 398 HB2 PHE 50 HB2 PHE 50 2.627 -1.374 2.765 399 HB3 PHE 50 HB1 PHE 50 3.115 0.294 3.051 400 HD1 PHE 50 HD1 PHE 50 5.597 0.891 2.891 401 HD2 PHE 50 HD2 PHE 50 4.010 -2.872 1.559 402 HE1 PHE 50 HE1 PHE 50 7.622 0.525 1.501 403 HE2 PHE 50 HE2 PHE 50 6.035 -3.239 0.177 404 HZ PHE 50 HZ PHE 50 7.841 -1.546 0.147 405 H THR 51 HN THR 51 2.666 -3.365 4.444 406 HA THR 51 HA THR 51 5.297 -4.785 4.560 407 HB THR 51 HB THR 51 4.510 -4.897 6.834 408 HG1 THR 51 HG1 THR 51 4.134 -7.151 5.228 409 HG21 THR 51 HG21 THR 51 2.264 -5.617 7.419 410 HG22 THR 51 HG22 THR 51 1.868 -5.863 5.719 411 HG23 THR 51 HG23 THR 51 2.163 -4.234 6.330 412 H ILE 52 HN ILE 52 5.383 -6.525 3.202 413 HA ILE 52 HA ILE 52 2.915 -7.159 1.636 414 HB ILE 52 HB ILE 52 5.828 -7.647 0.966 415 HG12 ILE 52 HG12 ILE 52 3.851 -5.712 -0.276 416 HG13 ILE 52 HG11 ILE 52 5.019 -5.242 0.956 417 HG21 ILE 52 HG21 ILE 52 4.769 -8.093 -1.329 418 HG22 ILE 52 HG22 ILE 52 3.229 -8.207 -0.477 419 HG23 ILE 52 HG23 ILE 52 4.531 -9.336 -0.103 420 HD11 ILE 52 HD11 ILE 52 6.869 -5.735 -0.459 421 HD12 ILE 52 HD12 ILE 52 5.722 -4.867 -1.480 422 HD13 ILE 52 HD13 ILE 52 5.856 -6.621 -1.601 423 H TRP 53 HN TRP 53 1.922 -8.978 2.212 424 HA TRP 53 HA TRP 53 3.350 -11.046 3.753 425 HB2 TRP 53 HB2 TRP 53 0.475 -10.772 2.842 426 HB3 TRP 53 HB1 TRP 53 1.074 -12.117 3.814 427 HD1 TRP 53 HD1 TRP 53 0.711 -8.283 3.951 428 HE1 TRP 53 HE1 TRP 53 0.614 -7.562 6.428 429 HE3 TRP 53 HE3 TRP 53 1.556 -12.787 6.207 430 HZ2 TRP 53 HZ2 TRP 53 0.856 -8.750 9.022 431 HZ3 TRP 53 HZ3 TRP 53 1.616 -12.963 8.679 432 HH2 TRP 53 HH2 TRP 53 1.268 -10.954 10.088 433 H LYS 54 HN LYS 54 3.823 -13.089 3.007 434 HA LYS 54 HA LYS 54 4.355 -13.447 0.229 435 HB2 LYS 54 HB2 LYS 54 4.146 -15.433 2.506 436 HB3 LYS 54 HB1 LYS 54 4.717 -15.863 0.893 437 HG2 LYS 54 HG2 LYS 54 6.505 -14.170 1.076 438 HG3 LYS 54 HG1 LYS 54 5.940 -13.750 2.693 439 HD2 LYS 54 HD2 LYS 54 6.390 -16.049 3.456 440 HD3 LYS 54 HD1 LYS 54 6.938 -16.483 1.837 441 HE2 LYS 54 HE2 LYS 54 8.738 -14.809 1.987 442 HE3 LYS 54 HE1 LYS 54 8.191 -14.357 3.602 443 HZ1 LYS 54 HZ1 LYS 54 8.527 -17.154 3.449 444 HZ2 LYS 54 HZ2 LYS 54 9.318 -16.039 4.457 445 HZ3 LYS 54 HZ3 LYS 54 9.946 -16.391 2.920 446 H ASN 55 HN ASN 55 1.413 -13.609 1.865 447 HA ASN 55 HA ASN 55 0.181 -15.737 0.302 448 HB2 ASN 55 HB2 ASN 55 -0.598 -14.935 2.583 449 HB3 ASN 55 HB1 ASN 55 -1.203 -13.485 1.778 450 HD21 ASN 55 HD21 ASN 55 -1.362 -17.055 1.221 451 HD22 ASN 55 HD22 ASN 55 -3.014 -17.061 0.834 452 H ALA 56 HN ALA 56 1.110 -12.557 -0.346 453 HA ALA 56 HA ALA 56 -0.969 -12.092 -2.422 454 HB1 ALA 56 HB1 ALA 56 -0.144 -9.867 -2.527 455 HB2 ALA 56 HB2 ALA 56 1.415 -10.326 -1.838 456 HB3 ALA 56 HB3 ALA 56 -0.019 -10.285 -0.817 457 H GLU 57 HN GLU 57 2.255 -13.217 -2.014 458 HA GLU 57 HA GLU 57 3.993 -13.689 -3.530 459 HB2 GLU 57 HB2 GLU 57 1.561 -14.734 -5.014 460 HB3 GLU 57 HB1 GLU 57 3.232 -15.184 -5.359 461 HG2 GLU 57 HG2 GLU 57 2.584 -16.917 -3.913 462 HG3 GLU 57 HG1 GLU 57 3.323 -15.779 -2.791 463 H LEU 58 HN LEU 58 3.557 -11.079 -3.749 464 HA LEU 58 HA LEU 58 3.086 -10.431 -6.593 465 HB2 LEU 58 HB2 LEU 58 3.472 -8.775 -4.099 466 HB3 LEU 58 HB1 LEU 58 3.460 -8.045 -5.706 467 HG LEU 58 HG LEU 58 1.219 -9.897 -4.896 468 HD11 LEU 58 HD11 LEU 58 1.336 -6.935 -4.262 469 HD12 LEU 58 HD12 LEU 58 1.437 -8.230 -3.071 470 HD13 LEU 58 HD13 LEU 58 -0.045 -8.002 -4.002 471 HD21 LEU 58 HD21 LEU 58 -0.050 -8.386 -6.438 472 HD22 LEU 58 HD22 LEU 58 1.314 -9.165 -7.236 473 HD23 LEU 58 HD23 LEU 58 1.436 -7.481 -6.730 474 HA PRO 59 HA PRO 59 7.427 -10.303 -7.474 475 HB2 PRO 59 HB2 PRO 59 7.488 -8.352 -9.445 476 HB3 PRO 59 HB1 PRO 59 6.975 -10.028 -9.719 477 HG2 PRO 59 HG2 PRO 59 5.321 -7.580 -9.356 478 HG3 PRO 59 HG1 PRO 59 5.029 -8.999 -10.376 479 HD2 PRO 59 HD2 PRO 59 3.763 -8.573 -7.964 480 HD3 PRO 59 HD1 PRO 59 4.030 -10.182 -8.669 481 H LEU 60 HN LEU 60 6.217 -8.431 -5.454 482 HA LEU 60 HA LEU 60 6.921 -6.693 -4.068 483 HB2 LEU 60 HB2 LEU 60 9.611 -7.164 -5.380 484 HB3 LEU 60 HB1 LEU 60 9.316 -6.363 -3.841 485 HG LEU 60 HG LEU 60 8.622 -9.251 -4.456 486 HD11 LEU 60 HD11 LEU 60 11.027 -8.982 -4.331 487 HD12 LEU 60 HD12 LEU 60 10.479 -9.704 -2.818 488 HD13 LEU 60 HD13 LEU 60 10.883 -7.989 -2.881 489 HD21 LEU 60 HD21 LEU 60 8.287 -7.473 -2.033 490 HD22 LEU 60 HD22 LEU 60 8.467 -9.216 -1.840 491 HD23 LEU 60 HD23 LEU 60 7.116 -8.569 -2.766 492 H LEU 61 HN LEU 61 7.354 -4.452 -4.066 493 HA LEU 61 HA LEU 61 6.863 -3.169 -6.666 494 HB2 LEU 61 HB2 LEU 61 6.945 -2.201 -3.810 495 HB3 LEU 61 HB1 LEU 61 6.838 -1.073 -5.161 496 HG LEU 61 HG LEU 61 4.805 -2.207 -5.965 497 HD11 LEU 61 HD11 LEU 61 3.766 -3.859 -4.228 498 HD12 LEU 61 HD12 LEU 61 5.420 -4.032 -3.642 499 HD13 LEU 61 HD13 LEU 61 5.025 -4.456 -5.306 500 HD21 LEU 61 HD21 LEU 61 4.659 -0.342 -4.290 501 HD22 LEU 61 HD22 LEU 61 4.597 -1.554 -3.009 502 HD23 LEU 61 HD23 LEU 61 3.301 -1.466 -4.201 503 H GLU 62 HN GLU 62 8.272 -1.782 -7.704 504 HA GLU 62 HA GLU 62 11.116 -2.117 -7.026 505 HB2 GLU 62 HB2 GLU 62 9.733 -0.751 -9.346 506 HB3 GLU 62 HB1 GLU 62 11.479 -0.957 -9.202 507 HG2 GLU 62 HG2 GLU 62 9.482 -3.240 -9.175 508 HG3 GLU 62 HG1 GLU 62 10.394 -2.736 -10.598 509 H GLN 63 HN GLN 63 12.551 -0.412 -6.699 510 HA GLN 63 HA GLN 63 11.498 1.778 -5.124 511 HB2 GLN 63 HB2 GLN 63 13.633 0.662 -4.591 512 HB3 GLN 63 HB1 GLN 63 14.314 1.248 -6.109 513 HG2 GLN 63 HG2 GLN 63 14.073 3.552 -5.399 514 HG3 GLN 63 HG1 GLN 63 13.195 3.059 -3.952 515 HE21 GLN 63 HE21 GLN 63 15.616 4.596 -3.799 516 HE22 GLN 63 HE22 GLN 63 16.811 3.632 -3.078 517 H GLY 64 HN GLY 64 11.095 3.819 -5.720 518 HA2 GLY 64 HA2 GLY 64 11.438 5.859 -6.920 519 HA3 GLY 64 HA1 GLY 64 12.325 4.969 -8.154 520 H GLU 65 HN GLU 65 9.687 3.110 -7.681 521 HA GLU 65 HA GLU 65 8.227 4.439 -9.932 522 HB2 GLU 65 HB2 GLU 65 8.211 1.587 -8.925 523 HB3 GLU 65 HB1 GLU 65 7.152 2.184 -10.198 524 HG2 GLU 65 HG2 GLU 65 8.955 1.293 -11.412 525 HG3 GLU 65 HG1 GLU 65 9.366 3.004 -11.331 526 H SER 66 HN SER 66 6.006 4.734 -9.863 527 HA SER 66 HA SER 66 4.846 5.011 -7.156 528 HB2 SER 66 HB2 SER 66 2.991 6.172 -8.484 529 HB3 SER 66 HB1 SER 66 4.565 6.965 -8.481 530 HG SER 66 HG SER 66 4.410 6.812 -10.570 531 H TYR 67 HN TYR 67 3.211 3.735 -6.419 532 HA TYR 67 HA TYR 67 2.001 1.771 -8.340 533 HB2 TYR 67 HB2 TYR 67 2.914 1.321 -5.493 534 HB3 TYR 67 HB1 TYR 67 1.957 0.165 -6.422 535 HD1 TYR 67 HD2 TYR 67 2.880 -0.777 -8.561 536 HD2 TYR 67 HD1 TYR 67 5.260 1.569 -5.875 537 HE1 TYR 67 HE2 TYR 67 4.934 -1.628 -9.652 538 HE2 TYR 67 HE1 TYR 67 7.323 0.722 -6.960 539 HH TYR 67 HH TYR 67 7.276 -1.901 -9.203 540 H LEU 68 HN LEU 68 -0.116 1.349 -8.149 541 HA LEU 68 HA LEU 68 -1.715 3.076 -6.310 542 HB2 LEU 68 HB2 LEU 68 -2.267 3.527 -8.594 543 HB3 LEU 68 HB1 LEU 68 -2.284 1.816 -9.006 544 HG LEU 68 HG LEU 68 -4.309 1.466 -7.728 545 HD11 LEU 68 HD11 LEU 68 -3.997 2.860 -5.820 546 HD12 LEU 68 HD12 LEU 68 -5.397 3.525 -6.657 547 HD13 LEU 68 HD13 LEU 68 -3.824 4.304 -6.814 548 HD21 LEU 68 HD21 LEU 68 -4.507 4.017 -9.359 549 HD22 LEU 68 HD22 LEU 68 -5.862 2.978 -8.919 550 HD23 LEU 68 HD23 LEU 68 -4.604 2.377 -9.997 551 H LEU 69 HN LEU 69 -2.068 1.866 -4.503 552 HA LEU 69 HA LEU 69 -2.464 -1.029 -4.614 553 HB2 LEU 69 HB2 LEU 69 -2.918 0.867 -2.293 554 HB3 LEU 69 HB1 LEU 69 -2.716 -0.882 -2.202 555 HG LEU 69 HG LEU 69 -0.634 1.122 -3.124 556 HD11 LEU 69 HD11 LEU 69 0.588 0.374 -1.122 557 HD12 LEU 69 HD12 LEU 69 -0.742 -0.708 -0.706 558 HD13 LEU 69 HD13 LEU 69 -0.984 1.039 -0.678 559 HD21 LEU 69 HD21 LEU 69 -0.740 -1.894 -3.181 560 HD22 LEU 69 HD22 LEU 69 0.808 -1.068 -2.998 561 HD23 LEU 69 HD23 LEU 69 -0.180 -0.778 -4.427 562 H ARG 70 HN ARG 70 -4.383 -2.124 -4.431 563 HA ARG 70 HA ARG 70 -6.893 -0.528 -4.191 564 HB2 ARG 70 HB2 ARG 70 -6.268 -2.599 -6.299 565 HB3 ARG 70 HB1 ARG 70 -7.873 -1.930 -6.014 566 HG2 ARG 70 HG2 ARG 70 -7.075 0.314 -6.531 567 HG3 ARG 70 HG1 ARG 70 -5.425 -0.283 -6.699 568 HD2 ARG 70 HD2 ARG 70 -6.422 -0.032 -8.918 569 HD3 ARG 70 HD1 ARG 70 -6.182 -1.747 -8.576 570 HE ARG 70 HE ARG 70 -8.817 -0.969 -7.758 571 HH11 ARG 70 HH21 ARG 70 -6.860 -1.524 -10.555 572 HH12 ARG 70 HH22 ARG 70 -8.200 -1.982 -11.552 573 HH21 ARG 70 HH11 ARG 70 -10.557 -1.562 -9.053 574 HH22 ARG 70 HH12 ARG 70 -10.286 -2.003 -10.704 575 H SER 71 HN SER 71 -8.530 -1.510 -3.131 576 HA SER 71 HA SER 71 -9.549 -2.962 -1.623 577 HB2 SER 71 HB2 SER 71 -8.349 -5.214 -3.228 578 HB3 SER 71 HB1 SER 71 -9.918 -5.144 -2.429 579 HG SER 71 HG SER 71 -9.044 -3.874 -4.789 580 H VAL 72 HN VAL 72 -7.082 -2.042 -0.696 581 HA VAL 72 HA VAL 72 -5.768 -4.447 0.496 582 HB VAL 72 HB VAL 72 -4.106 -2.719 1.344 583 HG11 VAL 72 HG11 VAL 72 -4.430 -2.774 -1.664 584 HG12 VAL 72 HG12 VAL 72 -3.862 -4.162 -0.735 585 HG13 VAL 72 HG13 VAL 72 -2.932 -2.667 -0.741 586 HG21 VAL 72 HG21 VAL 72 -4.119 -0.529 0.270 587 HG22 VAL 72 HG22 VAL 72 -5.663 -0.765 1.086 588 HG23 VAL 72 HG23 VAL 72 -5.552 -0.954 -0.664 589 H VAL 73 HN VAL 73 -5.268 -4.359 2.820 590 HA VAL 73 HA VAL 73 -7.545 -3.155 4.343 591 HB VAL 73 HB VAL 73 -7.275 -5.667 4.314 592 HG11 VAL 73 HG11 VAL 73 -5.469 -6.716 5.421 593 HG12 VAL 73 HG12 VAL 73 -4.947 -5.217 6.185 594 HG13 VAL 73 HG13 VAL 73 -4.692 -5.460 4.458 595 HG21 VAL 73 HG21 VAL 73 -7.042 -4.179 6.942 596 HG22 VAL 73 HG22 VAL 73 -7.549 -5.862 6.801 597 HG23 VAL 73 HG23 VAL 73 -8.528 -4.581 6.085 598 H VAL 74 HN VAL 74 -7.153 -1.769 5.976 599 HA VAL 74 HA VAL 74 -4.450 -0.704 6.282 600 HB VAL 74 HB VAL 74 -7.019 -0.056 7.757 601 HG11 VAL 74 HG11 VAL 74 -5.111 0.630 9.083 602 HG12 VAL 74 HG12 VAL 74 -5.776 2.067 8.307 603 HG13 VAL 74 HG13 VAL 74 -4.316 1.313 7.664 604 HG21 VAL 74 HG21 VAL 74 -6.942 0.360 5.246 605 HG22 VAL 74 HG22 VAL 74 -5.627 1.493 5.554 606 HG23 VAL 74 HG23 VAL 74 -7.227 1.795 6.232 607 H GLY 75 HN GLY 75 -3.006 -1.407 7.701 608 HA2 GLY 75 HA2 GLY 75 -3.721 -3.447 9.679 609 HA3 GLY 75 HA1 GLY 75 -2.098 -2.854 9.329 610 H GLU 76 HN GLU 76 -2.956 -3.229 11.931 611 HA GLU 76 HA GLU 76 -3.325 -0.436 12.955 612 HB2 GLU 76 HB2 GLU 76 -4.093 -1.627 15.071 613 HB3 GLU 76 HB1 GLU 76 -5.171 -1.751 13.684 614 HG2 GLU 76 HG2 GLU 76 -4.210 -3.976 13.147 615 HG3 GLU 76 HG1 GLU 76 -3.171 -3.856 14.568 616 H TYR 77 HN TYR 77 -1.671 0.409 14.019 617 HA TYR 77 HA TYR 77 0.349 -1.386 15.297 618 HB2 TYR 77 HB2 TYR 77 0.814 0.893 13.370 619 HB3 TYR 77 HB1 TYR 77 2.054 0.412 14.528 620 HD1 TYR 77 HD2 TYR 77 -0.112 -0.855 11.763 621 HD2 TYR 77 HD1 TYR 77 3.380 -1.523 14.170 622 HE1 TYR 77 HE2 TYR 77 0.543 -2.740 10.293 623 HE2 TYR 77 HE1 TYR 77 4.033 -3.407 12.699 624 HH TYR 77 HH TYR 77 2.343 -4.075 9.706 625 H ASN 78 HN ASN 78 -0.878 -0.864 17.199 626 HA ASN 78 HA ASN 78 -1.352 0.374 19.126 627 HB2 ASN 78 HB2 ASN 78 1.317 1.540 18.302 628 HB3 ASN 78 HB1 ASN 78 0.539 1.889 19.845 629 HD21 ASN 78 HD21 ASN 78 2.946 0.022 18.720 630 HD22 ASN 78 HD22 ASN 78 2.761 -1.358 19.691 631 H ASP 79 HN ASP 79 0.246 3.267 18.512 632 HA ASP 79 HA ASP 79 -2.339 4.655 18.093 633 HB2 ASP 79 HB2 ASP 79 0.467 5.660 18.657 634 HB3 ASP 79 HB1 ASP 79 -0.928 6.717 18.448 635 H ARG 80 HN ARG 80 0.123 3.410 16.190 636 HA ARG 80 HA ARG 80 -0.166 5.491 14.065 637 HB2 ARG 80 HB2 ARG 80 1.787 3.211 14.428 638 HB3 ARG 80 HB1 ARG 80 1.717 4.213 12.979 639 HG2 ARG 80 HG2 ARG 80 2.117 6.226 14.348 640 HG3 ARG 80 HG1 ARG 80 2.191 5.224 15.798 641 HD2 ARG 80 HD2 ARG 80 4.120 4.007 14.870 642 HD3 ARG 80 HD1 ARG 80 4.044 4.990 13.408 643 HE ARG 80 HE ARG 80 4.292 6.595 15.825 644 HH11 ARG 80 HH21 ARG 80 5.950 4.735 13.426 645 HH12 ARG 80 HH22 ARG 80 7.446 5.584 13.625 646 HH21 ARG 80 HH11 ARG 80 6.233 7.695 16.087 647 HH22 ARG 80 HH12 ARG 80 7.606 7.254 15.128 648 H PHE 81 HN PHE 81 -0.317 4.650 11.816 649 HA PHE 81 HA PHE 81 -1.960 2.144 11.625 650 HB2 PHE 81 HB2 PHE 81 -2.429 4.806 10.258 651 HB3 PHE 81 HB1 PHE 81 -3.275 3.315 9.846 652 HD1 PHE 81 HD2 PHE 81 -4.742 2.200 11.518 653 HD2 PHE 81 HD1 PHE 81 -2.970 6.043 12.247 654 HE1 PHE 81 HE2 PHE 81 -6.348 2.589 13.367 655 HE2 PHE 81 HE1 PHE 81 -4.575 6.432 14.097 656 HZ PHE 81 HZ PHE 81 -6.264 4.706 14.657 657 H GLN 82 HN GLN 82 -1.725 0.990 9.676 658 HA GLN 82 HA GLN 82 0.306 1.960 7.726 659 HB2 GLN 82 HB2 GLN 82 0.471 -0.716 9.137 660 HB3 GLN 82 HB1 GLN 82 1.516 -0.186 7.818 661 HG2 GLN 82 HG2 GLN 82 2.195 1.773 9.235 662 HG3 GLN 82 HG1 GLN 82 1.282 1.064 10.565 663 HE21 GLN 82 HE21 GLN 82 2.861 0.231 11.966 664 HE22 GLN 82 HE22 GLN 82 4.129 -0.788 11.485 665 H VAL 83 HN VAL 83 0.480 0.162 5.942 666 HA VAL 83 HA VAL 83 -2.295 -0.830 5.342 667 HB VAL 83 HB VAL 83 -1.471 -0.585 2.890 668 HG11 VAL 83 HG11 VAL 83 -3.195 0.836 3.987 669 HG12 VAL 83 HG12 VAL 83 -2.214 1.744 2.839 670 HG13 VAL 83 HG13 VAL 83 -1.915 1.901 4.569 671 HG21 VAL 83 HG21 VAL 83 0.931 -0.127 3.762 672 HG22 VAL 83 HG22 VAL 83 0.347 1.497 4.122 673 HG23 VAL 83 HG23 VAL 83 0.326 0.899 2.463 674 H GLN 84 HN GLN 84 -2.482 -2.947 4.895 675 HA GLN 84 HA GLN 84 0.037 -4.556 4.663 676 HB2 GLN 84 HB2 GLN 84 -2.676 -5.357 5.746 677 HB3 GLN 84 HB1 GLN 84 -1.266 -6.409 5.640 678 HG2 GLN 84 HG2 GLN 84 -0.006 -4.878 7.105 679 HG3 GLN 84 HG1 GLN 84 -1.412 -3.823 7.220 680 HE21 GLN 84 HE21 GLN 84 -0.926 -4.473 9.652 681 HE22 GLN 84 HE22 GLN 84 -1.762 -5.833 10.222 682 H VAL 85 HN VAL 85 0.357 -5.436 2.757 683 HA VAL 85 HA VAL 85 -1.826 -5.583 0.773 684 HB VAL 85 HB VAL 85 1.092 -6.328 0.464 685 HG11 VAL 85 HG11 VAL 85 -1.123 -5.659 -1.490 686 HG12 VAL 85 HG12 VAL 85 -0.327 -7.221 -1.291 687 HG13 VAL 85 HG13 VAL 85 0.571 -5.850 -1.941 688 HG21 VAL 85 HG21 VAL 85 1.021 -4.018 1.154 689 HG22 VAL 85 HG22 VAL 85 -0.350 -3.688 0.096 690 HG23 VAL 85 HG23 VAL 85 1.236 -4.024 -0.597 691 H ASN 86 HN ASN 86 -2.870 -7.437 0.320 692 HA ASN 86 HA ASN 86 -1.590 -10.050 0.889 693 HB2 ASN 86 HB2 ASN 86 -3.691 -10.801 2.070 694 HB3 ASN 86 HB1 ASN 86 -2.714 -9.642 2.969 695 HD21 ASN 86 HD21 ASN 86 -3.439 -7.268 2.734 696 HD22 ASN 86 HD22 ASN 86 -5.101 -6.970 2.566 697 H LYS 87 HN LYS 87 -3.138 -11.838 0.182 698 HA LYS 87 HA LYS 87 -3.601 -11.814 -2.525 699 HB2 LYS 87 HB2 LYS 87 -3.777 -13.807 -1.042 700 HB3 LYS 87 HB1 LYS 87 -5.358 -13.238 -0.509 701 HG2 LYS 87 HG2 LYS 87 -6.224 -13.390 -2.785 702 HG3 LYS 87 HG1 LYS 87 -4.631 -13.837 -3.391 703 HD2 LYS 87 HD2 LYS 87 -4.685 -15.882 -1.998 704 HD3 LYS 87 HD1 LYS 87 -6.292 -15.436 -1.422 705 HE2 LYS 87 HE2 LYS 87 -7.163 -15.531 -3.718 706 HE3 LYS 87 HE1 LYS 87 -5.556 -15.930 -4.324 707 HZ1 LYS 87 HZ1 LYS 87 -7.445 -17.582 -2.830 708 HZ2 LYS 87 HZ2 LYS 87 -5.792 -17.813 -2.516 709 HZ3 LYS 87 HZ3 LYS 87 -6.396 -18.008 -4.092 710 H ASN 88 HN ASN 88 -5.510 -11.653 -3.832 711 HA ASN 88 HA ASN 88 -7.571 -10.759 -4.504 712 HB2 ASN 88 HB2 ASN 88 -8.150 -11.267 -1.945 713 HB3 ASN 88 HB1 ASN 88 -8.076 -9.510 -1.808 714 HD21 ASN 88 HD21 ASN 88 -9.637 -12.091 -3.765 715 HD22 ASN 88 HD22 ASN 88 -11.041 -11.195 -4.093 716 H SER 89 HN SER 89 -5.169 -8.964 -2.771 717 HA SER 89 HA SER 89 -6.136 -6.331 -3.525 718 HB2 SER 89 HB2 SER 89 -3.308 -7.082 -2.770 719 HB3 SER 89 HB1 SER 89 -4.067 -5.498 -2.643 720 HG SER 89 HG SER 89 -4.667 -6.117 -0.735 721 H SER 90 HN SER 90 -5.352 -4.984 -5.161 722 HA SER 90 HA SER 90 -3.736 -6.330 -7.309 723 HB2 SER 90 HB2 SER 90 -6.167 -4.553 -7.559 724 HB3 SER 90 HB1 SER 90 -5.106 -4.933 -8.912 725 HG SER 90 HG SER 90 -5.549 -7.222 -7.887 726 H ILE 91 HN ILE 91 -2.333 -5.002 -8.460 727 HA ILE 91 HA ILE 91 -1.897 -2.238 -7.394 728 HB ILE 91 HB ILE 91 0.197 -4.370 -7.894 729 HG12 ILE 91 HG12 ILE 91 -0.565 -2.876 -5.365 730 HG13 ILE 91 HG11 ILE 91 -1.132 -4.498 -5.759 731 HG21 ILE 91 HG21 ILE 91 0.402 -1.421 -7.239 732 HG22 ILE 91 HG22 ILE 91 1.097 -2.267 -8.620 733 HG23 ILE 91 HG23 ILE 91 1.738 -2.550 -7.004 734 HD11 ILE 91 HD11 ILE 91 1.239 -5.257 -5.894 735 HD12 ILE 91 HD12 ILE 91 0.811 -4.655 -4.293 736 HD13 ILE 91 HD13 ILE 91 1.753 -3.647 -5.390 737 H GLU 92 HN GLU 92 -1.525 -0.740 -8.940 738 HA GLU 92 HA GLU 92 -0.936 -1.680 -11.735 739 HB2 GLU 92 HB2 GLU 92 -3.328 -1.070 -11.519 740 HB3 GLU 92 HB1 GLU 92 -2.857 0.530 -10.944 741 HG2 GLU 92 HG2 GLU 92 -1.698 0.975 -13.062 742 HG3 GLU 92 HG1 GLU 92 -2.092 -0.645 -13.633 743 H LYS 93 HN LYS 93 0.830 -0.749 -12.533 744 HA LYS 93 HA LYS 93 2.263 1.306 -11.072 745 HB2 LYS 93 HB2 LYS 93 2.681 -0.122 -13.692 746 HB3 LYS 93 HB1 LYS 93 3.733 1.208 -13.210 747 HG2 LYS 93 HG2 LYS 93 4.279 0.053 -11.124 748 HG3 LYS 93 HG1 LYS 93 3.201 -1.275 -11.553 749 HD2 LYS 93 HD2 LYS 93 5.391 -0.498 -13.473 750 HD3 LYS 93 HD1 LYS 93 5.801 -1.453 -12.049 751 HE2 LYS 93 HE2 LYS 93 3.637 -2.210 -14.036 752 HE3 LYS 93 HE1 LYS 93 5.280 -2.854 -14.061 753 HZ1 LYS 93 HZ1 LYS 93 4.937 -4.071 -12.198 754 HZ2 LYS 93 HZ2 LYS 93 3.337 -4.046 -12.768 755 HZ3 LYS 93 HZ3 LYS 93 3.819 -2.979 -11.536 756 H LEU 94 HN LEU 94 2.318 3.448 -11.421 757 HA LEU 94 HA LEU 94 0.584 4.553 -13.600 758 HB2 LEU 94 HB2 LEU 94 1.311 5.451 -10.838 759 HB3 LEU 94 HB1 LEU 94 0.959 6.694 -12.039 760 HG LEU 94 HG LEU 94 -1.208 5.648 -12.511 761 HD11 LEU 94 HD11 LEU 94 -0.839 3.340 -12.168 762 HD12 LEU 94 HD12 LEU 94 -1.933 3.801 -10.869 763 HD13 LEU 94 HD13 LEU 94 -0.213 3.591 -10.539 764 HD21 LEU 94 HD21 LEU 94 -2.314 6.213 -10.445 765 HD22 LEU 94 HD22 LEU 94 -0.935 7.298 -10.622 766 HD23 LEU 94 HD23 LEU 94 -0.841 5.925 -9.518 767 H SER 95 HN SER 95 1.427 5.775 -15.150 768 HA SER 95 HA SER 95 4.343 6.004 -15.357 769 HB2 SER 95 HB2 SER 95 3.901 6.811 -17.608 770 HB3 SER 95 HB1 SER 95 2.866 5.418 -17.307 771 HG SER 95 HG SER 95 2.063 7.697 -18.126 772 H GLU 96 HN GLU 96 2.008 7.800 -13.843 773 HA GLU 96 HA GLU 96 3.504 10.375 -14.263 774 HB2 GLU 96 HB2 GLU 96 1.269 11.369 -13.364 775 HB3 GLU 96 HB1 GLU 96 1.339 10.823 -15.037 776 HG2 GLU 96 HG2 GLU 96 0.243 8.754 -14.499 777 HG3 GLU 96 HG1 GLU 96 0.368 9.072 -12.767 778 HA PRO 97 HA PRO 97 4.410 8.994 -9.935 779 HB2 PRO 97 HB2 PRO 97 6.559 11.031 -10.322 780 HB3 PRO 97 HB1 PRO 97 6.679 9.367 -9.715 781 HG2 PRO 97 HG2 PRO 97 7.519 10.032 -12.167 782 HG3 PRO 97 HG1 PRO 97 6.766 8.461 -11.831 783 HD2 PRO 97 HD2 PRO 97 5.590 10.862 -13.192 784 HD3 PRO 97 HD1 PRO 97 5.323 9.137 -13.514 785 H ILE 98 HN ILE 98 4.084 10.065 -7.976 786 HA ILE 98 HA ILE 98 2.474 12.472 -8.084 787 HB ILE 98 HB ILE 98 2.434 12.244 -5.611 788 HG12 ILE 98 HG12 ILE 98 4.185 9.825 -6.156 789 HG13 ILE 98 HG11 ILE 98 4.740 11.316 -5.392 790 HG21 ILE 98 HG21 ILE 98 1.946 9.672 -7.144 791 HG22 ILE 98 HG22 ILE 98 0.833 11.037 -7.071 792 HG23 ILE 98 HG23 ILE 98 1.202 10.123 -5.610 793 HD11 ILE 98 HD11 ILE 98 2.798 9.270 -4.344 794 HD12 ILE 98 HD12 ILE 98 2.777 10.921 -3.727 795 HD13 ILE 98 HD13 ILE 98 4.228 9.935 -3.557 796 H GLU 99 HN GLU 99 2.987 14.524 -7.391 797 HA GLU 99 HA GLU 99 5.817 15.246 -7.489 798 HB2 GLU 99 HB2 GLU 99 3.274 16.850 -7.133 799 HB3 GLU 99 HB1 GLU 99 4.879 17.587 -7.154 800 HG2 GLU 99 HG2 GLU 99 5.296 16.684 -9.389 801 HG3 GLU 99 HG1 GLU 99 3.741 15.853 -9.370 802 H VAL 100 HN VAL 100 7.074 15.139 -5.743 803 HA VAL 100 HA VAL 100 5.875 15.508 -3.022 804 HB VAL 100 HB VAL 100 7.862 14.273 -2.200 805 HG11 VAL 100 HG11 VAL 100 7.167 12.106 -2.925 806 HG12 VAL 100 HG12 VAL 100 6.582 12.733 -4.466 807 HG13 VAL 100 HG13 VAL 100 5.724 13.120 -2.975 808 HG21 VAL 100 HG21 VAL 100 9.279 13.104 -3.937 809 HG22 VAL 100 HG22 VAL 100 9.510 14.850 -3.873 810 HG23 VAL 100 HG23 VAL 100 8.531 14.135 -5.156 811 H GLY 101 HN GLY 101 7.600 17.098 -5.380 812 HA2 GLY 101 HA2 GLY 101 8.310 19.271 -3.617 813 HA3 GLY 101 HA1 GLY 101 9.752 18.373 -4.094 814 H LEU 102 HN LEU 102 7.968 20.987 -4.894 815 HA LEU 102 HA LEU 102 8.125 20.749 -7.831 816 HB2 LEU 102 HB2 LEU 102 7.128 22.846 -5.896 817 HB3 LEU 102 HB1 LEU 102 7.351 23.236 -7.601 818 HG LEU 102 HG LEU 102 5.850 21.388 -8.230 819 HD11 LEU 102 HD11 LEU 102 6.184 19.787 -6.502 820 HD12 LEU 102 HD12 LEU 102 4.522 20.336 -6.299 821 HD13 LEU 102 HD13 LEU 102 5.788 20.952 -5.239 822 HD21 LEU 102 HD21 LEU 102 3.804 22.425 -7.584 823 HD22 LEU 102 HD22 LEU 102 4.994 23.725 -7.591 824 HD23 LEU 102 HD23 LEU 102 4.487 23.002 -6.065 825 H GLU 103 HN GLU 103 10.307 21.245 -5.462 826 HA GLU 103 HA GLU 103 11.783 23.547 -6.055 827 HB2 GLU 103 HB2 GLU 103 13.803 22.175 -5.336 828 HB3 GLU 103 HB1 GLU 103 12.456 22.198 -4.196 829 HG2 GLU 103 HG2 GLU 103 11.673 20.028 -5.064 830 HG3 GLU 103 HG1 GLU 103 13.000 20.005 -6.223 831 H HIS 104 HN HIS 104 14.188 23.172 -7.030 832 HA HIS 104 HA HIS 104 13.722 22.550 -9.892 833 HB2 HIS 104 HB2 HIS 104 16.013 23.892 -8.425 834 HB3 HIS 104 HB1 HIS 104 15.957 23.664 -10.172 835 HD1 HIS 104 HD1 HIS 104 14.219 25.528 -7.374 836 HD2 HIS 104 HD2 HIS 104 14.252 25.445 -11.543 837 HE1 HIS 104 HE1 HIS 104 12.886 27.540 -8.143 838 H HIS 105 HN HIS 105 14.360 20.684 -7.415 839 HA HIS 105 HA HIS 105 16.849 19.379 -7.951 840 HB2 HIS 105 HB2 HIS 105 15.482 19.043 -5.879 841 HB3 HIS 105 HB1 HIS 105 14.303 18.159 -6.846 842 HD1 HIS 105 HD1 HIS 105 15.104 15.872 -7.907 843 HD2 HIS 105 HD2 HIS 105 17.790 17.581 -5.218 844 HE1 HIS 105 HE1 HIS 105 16.795 14.073 -7.344 845 H HIS 106 HN HIS 106 13.549 18.735 -9.093 846 HA HIS 106 HA HIS 106 14.184 16.422 -10.658 847 HB2 HIS 106 HB2 HIS 106 11.977 18.485 -10.876 848 HB3 HIS 106 HB1 HIS 106 12.044 17.040 -11.886 849 HD1 HIS 106 HD1 HIS 106 11.888 14.711 -10.625 850 HD2 HIS 106 HD2 HIS 106 11.084 18.041 -8.248 851 HE1 HIS 106 HE1 HIS 106 10.799 13.836 -8.513 852 H HIS 107 HN HIS 107 14.108 19.883 -11.435 853 HA HIS 107 HA HIS 107 14.889 19.401 -14.223 854 HB2 HIS 107 HB2 HIS 107 13.445 21.338 -13.464 855 HB3 HIS 107 HB1 HIS 107 14.892 22.033 -12.734 856 HD1 HIS 107 HD1 HIS 107 16.714 22.961 -14.319 857 HD2 HIS 107 HD2 HIS 107 13.456 21.305 -16.326 858 HE1 HIS 107 HE1 HIS 107 16.960 23.621 -16.752 859 H HIS 108 HN HIS 108 16.888 20.257 -15.133 860 HA HIS 108 HA HIS 108 19.116 20.665 -13.192 861 HB2 HIS 108 HB2 HIS 108 19.054 18.604 -15.410 862 HB3 HIS 108 HB1 HIS 108 20.516 19.079 -14.547 863 HD1 HIS 108 HD1 HIS 108 17.313 17.179 -14.124 864 HD2 HIS 108 HD2 HIS 108 20.636 18.208 -11.828 865 HE1 HIS 108 HE1 HIS 108 17.202 15.762 -12.027 866 H HIS 109 HN HIS 109 20.824 21.897 -14.020 867 HA HIS 109 HA HIS 109 20.845 22.721 -16.841 868 HB2 HIS 109 HB2 HIS 109 19.176 24.261 -15.932 869 HB3 HIS 109 HB1 HIS 109 20.264 24.702 -14.617 870 HD1 HIS 109 HD1 HIS 109 20.100 24.846 -18.416 871 HD2 HIS 109 HD2 HIS 109 22.005 26.774 -15.250 872 HE1 HIS 109 HE1 HIS 109 21.339 26.814 -19.418 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -15.875 4.422 -10.976 2 H2 MET 1 HT2 MET 1 -17.005 4.601 -12.231 3 H3 MET 1 HT3 MET 1 -17.521 4.611 -10.612 4 HA MET 1 HA MET 1 -16.527 6.753 -12.222 5 HB2 MET 1 HB2 MET 1 -17.850 6.567 -9.497 6 HB3 MET 1 HB1 MET 1 -17.603 8.064 -10.395 7 HG2 MET 1 HG2 MET 1 -19.158 5.677 -11.438 8 HG3 MET 1 HG1 MET 1 -19.897 7.101 -10.711 9 HE1 MET 1 HE1 MET 1 -19.316 9.351 -11.283 10 HE2 MET 1 HE2 MET 1 -20.657 9.238 -12.416 11 HE3 MET 1 HE3 MET 1 -19.144 9.978 -12.928 12 H GLU 2 HN GLU 2 -14.226 6.323 -12.123 13 HA GLU 2 HA GLU 2 -12.085 6.686 -11.330 14 HB2 GLU 2 HB2 GLU 2 -13.685 8.666 -9.710 15 HB3 GLU 2 HB1 GLU 2 -11.944 8.518 -9.496 16 HG2 GLU 2 HG2 GLU 2 -12.430 10.265 -11.139 17 HG3 GLU 2 HG1 GLU 2 -11.636 8.904 -11.933 18 HA PRO 3 HA PRO 3 -11.565 3.884 -7.937 19 HB2 PRO 3 HB2 PRO 3 -8.970 4.376 -7.223 20 HB3 PRO 3 HB1 PRO 3 -9.412 3.549 -8.731 21 HG2 PRO 3 HG2 PRO 3 -8.684 6.419 -8.298 22 HG3 PRO 3 HG1 PRO 3 -8.156 5.304 -9.574 23 HD2 PRO 3 HD2 PRO 3 -10.128 7.132 -9.989 24 HD3 PRO 3 HD1 PRO 3 -10.123 5.546 -10.794 25 H GLN 4 HN GLN 4 -11.545 3.784 -5.641 26 HA GLN 4 HA GLN 4 -12.104 6.355 -4.306 27 HB2 GLN 4 HB2 GLN 4 -13.533 4.360 -3.900 28 HB3 GLN 4 HB1 GLN 4 -12.138 3.513 -3.232 29 HG2 GLN 4 HG2 GLN 4 -11.930 5.192 -1.463 30 HG3 GLN 4 HG1 GLN 4 -13.266 6.112 -2.154 31 HE21 GLN 4 HE21 GLN 4 -13.372 5.071 0.522 32 HE22 GLN 4 HE22 GLN 4 -14.578 3.878 0.580 33 H LEU 5 HN LEU 5 -9.886 7.149 -4.512 34 HA LEU 5 HA LEU 5 -7.689 5.763 -3.212 35 HB2 LEU 5 HB2 LEU 5 -7.919 8.668 -4.055 36 HB3 LEU 5 HB1 LEU 5 -6.425 7.801 -3.696 37 HG LEU 5 HG LEU 5 -8.370 7.098 -5.916 38 HD11 LEU 5 HD11 LEU 5 -5.702 8.524 -5.894 39 HD12 LEU 5 HD12 LEU 5 -7.238 9.107 -6.537 40 HD13 LEU 5 HD13 LEU 5 -6.380 7.800 -7.353 41 HD21 LEU 5 HD21 LEU 5 -7.343 5.062 -5.380 42 HD22 LEU 5 HD22 LEU 5 -5.837 5.832 -4.878 43 HD23 LEU 5 HD23 LEU 5 -6.235 5.701 -6.590 44 H THR 6 HN THR 6 -6.720 6.252 -1.233 45 HA THR 6 HA THR 6 -8.284 8.040 0.606 46 HB THR 6 HB THR 6 -6.900 5.419 1.250 47 HG1 THR 6 HG1 THR 6 -9.373 6.070 0.421 48 HG21 THR 6 HG21 THR 6 -8.109 5.835 3.477 49 HG22 THR 6 HG22 THR 6 -8.282 7.506 2.940 50 HG23 THR 6 HG23 THR 6 -6.675 6.810 3.160 51 H LYS 7 HN LYS 7 -7.090 9.600 1.550 52 HA LYS 7 HA LYS 7 -4.254 9.814 0.913 53 HB2 LYS 7 HB2 LYS 7 -6.093 11.532 2.597 54 HB3 LYS 7 HB1 LYS 7 -4.424 11.945 2.213 55 HG2 LYS 7 HG2 LYS 7 -4.948 11.887 -0.191 56 HG3 LYS 7 HG1 LYS 7 -6.616 11.449 0.177 57 HD2 LYS 7 HD2 LYS 7 -6.914 13.567 1.400 58 HD3 LYS 7 HD1 LYS 7 -5.244 14.010 1.047 59 HE2 LYS 7 HE2 LYS 7 -5.732 13.942 -1.371 60 HE3 LYS 7 HE1 LYS 7 -7.402 13.498 -1.021 61 HZ1 LYS 7 HZ1 LYS 7 -7.851 15.563 -0.114 62 HZ2 LYS 7 HZ2 LYS 7 -6.847 15.952 -1.428 63 HZ3 LYS 7 HZ3 LYS 7 -6.216 15.931 0.149 64 H ILE 8 HN ILE 8 -2.568 10.020 2.495 65 HA ILE 8 HA ILE 8 -2.593 8.024 4.532 66 HB ILE 8 HB ILE 8 -0.741 10.368 4.012 67 HG12 ILE 8 HG12 ILE 8 0.766 8.411 3.299 68 HG13 ILE 8 HG11 ILE 8 -0.675 7.402 3.367 69 HG21 ILE 8 HG21 ILE 8 0.853 8.990 5.475 70 HG22 ILE 8 HG22 ILE 8 -0.584 8.139 6.044 71 HG23 ILE 8 HG23 ILE 8 -0.424 9.875 6.312 72 HD11 ILE 8 HD11 ILE 8 -0.702 9.955 1.765 73 HD12 ILE 8 HD12 ILE 8 -1.689 8.509 1.563 74 HD13 ILE 8 HD13 ILE 8 0.007 8.491 1.091 75 H VAL 9 HN VAL 9 -2.925 11.565 4.684 76 HA VAL 9 HA VAL 9 -3.073 11.697 7.548 77 HB VAL 9 HB VAL 9 -2.577 13.641 6.064 78 HG11 VAL 9 HG11 VAL 9 -5.548 13.714 5.523 79 HG12 VAL 9 HG12 VAL 9 -4.408 12.969 4.403 80 HG13 VAL 9 HG13 VAL 9 -4.281 14.687 4.776 81 HG21 VAL 9 HG21 VAL 9 -5.056 14.083 7.748 82 HG22 VAL 9 HG22 VAL 9 -3.786 15.254 7.391 83 HG23 VAL 9 HG23 VAL 9 -3.443 13.869 8.428 84 H ASP 10 HN ASP 10 -5.336 10.749 5.120 85 HA ASP 10 HA ASP 10 -7.706 11.207 6.786 86 HB2 ASP 10 HB2 ASP 10 -7.258 9.785 4.150 87 HB3 ASP 10 HB1 ASP 10 -8.832 9.872 4.941 88 H ILE 11 HN ILE 11 -5.225 9.014 6.915 89 HA ILE 11 HA ILE 11 -6.841 6.626 7.487 90 HB ILE 11 HB ILE 11 -3.876 7.198 7.765 91 HG12 ILE 11 HG12 ILE 11 -5.385 5.448 5.797 92 HG13 ILE 11 HG11 ILE 11 -4.880 7.100 5.447 93 HG21 ILE 11 HG21 ILE 11 -4.411 5.492 9.367 94 HG22 ILE 11 HG22 ILE 11 -3.755 4.660 7.958 95 HG23 ILE 11 HG23 ILE 11 -5.496 4.685 8.236 96 HD11 ILE 11 HD11 ILE 11 -3.143 4.686 5.963 97 HD12 ILE 11 HD12 ILE 11 -2.506 6.321 6.105 98 HD13 ILE 11 HD13 ILE 11 -3.142 5.753 4.561 99 H VAL 12 HN VAL 12 -7.944 6.593 9.362 100 HA VAL 12 HA VAL 12 -6.512 7.031 11.892 101 HB VAL 12 HB VAL 12 -8.272 8.599 12.747 102 HG11 VAL 12 HG11 VAL 12 -6.023 9.322 11.768 103 HG12 VAL 12 HG12 VAL 12 -7.280 10.559 11.817 104 HG13 VAL 12 HG13 VAL 12 -6.908 9.740 10.301 105 HG21 VAL 12 HG21 VAL 12 -9.504 9.860 10.837 106 HG22 VAL 12 HG22 VAL 12 -10.126 8.284 11.315 107 HG23 VAL 12 HG23 VAL 12 -9.148 8.438 9.858 108 H GLU 13 HN GLU 13 -8.134 4.995 10.206 109 HA GLU 13 HA GLU 13 -9.807 4.020 12.489 110 HB2 GLU 13 HB2 GLU 13 -10.591 4.168 9.566 111 HB3 GLU 13 HB1 GLU 13 -11.447 3.183 10.753 112 HG2 GLU 13 HG2 GLU 13 -11.887 5.186 12.114 113 HG3 GLU 13 HG1 GLU 13 -11.020 6.175 10.942 114 H ASN 14 HN ASN 14 -9.788 1.798 12.782 115 HA ASN 14 HA ASN 14 -7.653 0.350 11.319 116 HB2 ASN 14 HB2 ASN 14 -7.799 -1.285 13.101 117 HB3 ASN 14 HB1 ASN 14 -7.737 0.324 13.816 118 HD21 ASN 14 HD21 ASN 14 -8.840 -1.844 15.275 119 HD22 ASN 14 HD22 ASN 14 -10.512 -1.599 15.443 120 H GLY 15 HN GLY 15 -8.032 -1.372 9.983 121 HA2 GLY 15 HA2 GLY 15 -9.240 -3.083 8.881 122 HA3 GLY 15 HA1 GLY 15 -10.622 -2.732 9.922 123 H GLN 16 HN GLN 16 -9.171 -0.027 8.353 124 HA GLN 16 HA GLN 16 -11.625 0.540 6.924 125 HB2 GLN 16 HB2 GLN 16 -10.123 2.313 7.835 126 HB3 GLN 16 HB1 GLN 16 -8.910 1.860 6.636 127 HG2 GLN 16 HG2 GLN 16 -10.480 2.385 4.819 128 HG3 GLN 16 HG1 GLN 16 -11.724 2.799 5.999 129 HE21 GLN 16 HE21 GLN 16 -11.863 5.004 6.373 130 HE22 GLN 16 HE22 GLN 16 -10.575 6.103 6.255 131 H TRP 17 HN TRP 17 -12.129 0.095 4.828 132 HA TRP 17 HA TRP 17 -10.080 -1.336 3.177 133 HB2 TRP 17 HB2 TRP 17 -13.109 -1.339 3.127 134 HB3 TRP 17 HB1 TRP 17 -12.109 -2.124 1.901 135 HD1 TRP 17 HD1 TRP 17 -13.087 -2.353 5.579 136 HE1 TRP 17 HE1 TRP 17 -12.380 -4.659 6.487 137 HE3 TRP 17 HE3 TRP 17 -10.444 -4.102 1.577 138 HZ2 TRP 17 HZ2 TRP 17 -10.891 -6.946 5.627 139 HZ3 TRP 17 HZ3 TRP 17 -9.392 -6.344 1.647 140 HH2 TRP 17 HH2 TRP 17 -9.613 -7.767 3.665 141 H ALA 18 HN ALA 18 -9.362 -0.369 1.338 142 HA ALA 18 HA ALA 18 -10.914 1.262 -0.389 143 HB1 ALA 18 HB1 ALA 18 -9.653 3.482 0.185 144 HB2 ALA 18 HB2 ALA 18 -9.420 2.745 1.770 145 HB3 ALA 18 HB3 ALA 18 -11.049 3.027 1.159 146 H ASN 19 HN ASN 19 -9.163 2.879 -1.600 147 HA ASN 19 HA ASN 19 -6.990 1.023 -2.448 148 HB2 ASN 19 HB2 ASN 19 -8.164 3.512 -3.722 149 HB3 ASN 19 HB1 ASN 19 -6.831 2.577 -4.402 150 HD21 ASN 19 HD21 ASN 19 -9.106 2.733 -5.962 151 HD22 ASN 19 HD22 ASN 19 -9.944 1.257 -5.944 152 H LEU 20 HN LEU 20 -4.804 1.825 -2.645 153 HA LEU 20 HA LEU 20 -4.251 4.430 -1.282 154 HB2 LEU 20 HB2 LEU 20 -4.008 2.240 0.176 155 HB3 LEU 20 HB1 LEU 20 -2.525 2.015 -0.739 156 HG LEU 20 HG LEU 20 -2.000 3.205 1.307 157 HD11 LEU 20 HD11 LEU 20 -1.980 5.311 -0.854 158 HD12 LEU 20 HD12 LEU 20 -0.945 3.884 -0.936 159 HD13 LEU 20 HD13 LEU 20 -0.781 5.017 0.404 160 HD21 LEU 20 HD21 LEU 20 -3.205 4.956 2.183 161 HD22 LEU 20 HD22 LEU 20 -4.508 4.250 1.234 162 HD23 LEU 20 HD23 LEU 20 -3.607 5.628 0.606 163 H LYS 21 HN LYS 21 -3.140 5.621 -2.712 164 HA LYS 21 HA LYS 21 -1.176 4.261 -4.535 165 HB2 LYS 21 HB2 LYS 21 -3.016 5.304 -5.780 166 HB3 LYS 21 HB1 LYS 21 -2.733 6.833 -4.950 167 HG2 LYS 21 HG2 LYS 21 -0.522 7.028 -5.936 168 HG3 LYS 21 HG1 LYS 21 -0.644 5.413 -6.630 169 HD2 LYS 21 HD2 LYS 21 -1.102 7.055 -8.363 170 HD3 LYS 21 HD1 LYS 21 -2.592 6.198 -7.983 171 HE2 LYS 21 HE2 LYS 21 -3.489 8.030 -6.799 172 HE3 LYS 21 HE1 LYS 21 -1.908 8.788 -6.593 173 HZ1 LYS 21 HZ1 LYS 21 -2.030 9.750 -8.587 174 HZ2 LYS 21 HZ2 LYS 21 -3.697 9.425 -8.505 175 HZ3 LYS 21 HZ3 LYS 21 -2.661 8.367 -9.339 176 H ALA 22 HN ALA 22 0.927 4.961 -4.411 177 HA ALA 22 HA ALA 22 1.605 7.607 -3.427 178 HB1 ALA 22 HB1 ALA 22 2.016 5.241 -1.584 179 HB2 ALA 22 HB2 ALA 22 1.095 6.710 -1.255 180 HB3 ALA 22 HB3 ALA 22 2.851 6.784 -1.393 181 H LYS 23 HN LYS 23 4.109 7.650 -2.953 182 HA LYS 23 HA LYS 23 5.411 6.097 -5.149 183 HB2 LYS 23 HB2 LYS 23 5.552 8.544 -5.312 184 HB3 LYS 23 HB1 LYS 23 6.287 8.615 -3.712 185 HG2 LYS 23 HG2 LYS 23 8.209 7.310 -4.509 186 HG3 LYS 23 HG1 LYS 23 7.462 7.157 -6.100 187 HD2 LYS 23 HD2 LYS 23 7.516 9.614 -6.355 188 HD3 LYS 23 HD1 LYS 23 8.276 9.760 -4.770 189 HE2 LYS 23 HE2 LYS 23 10.186 8.424 -5.551 190 HE3 LYS 23 HE1 LYS 23 9.429 8.254 -7.135 191 HZ1 LYS 23 HZ1 LYS 23 9.433 10.727 -7.258 192 HZ2 LYS 23 HZ2 LYS 23 10.979 10.021 -7.265 193 HZ3 LYS 23 HZ3 LYS 23 10.381 10.750 -5.851 194 H VAL 24 HN VAL 24 7.208 4.819 -4.740 195 HA VAL 24 HA VAL 24 7.585 4.002 -1.949 196 HB VAL 24 HB VAL 24 8.903 3.094 -4.520 197 HG11 VAL 24 HG11 VAL 24 9.528 1.099 -3.052 198 HG12 VAL 24 HG12 VAL 24 9.113 2.108 -1.667 199 HG13 VAL 24 HG13 VAL 24 10.423 2.589 -2.745 200 HG21 VAL 24 HG21 VAL 24 6.374 2.698 -4.049 201 HG22 VAL 24 HG22 VAL 24 6.932 1.561 -2.822 202 HG23 VAL 24 HG23 VAL 24 7.359 1.312 -4.515 203 H ILE 25 HN ILE 25 9.126 4.731 -0.618 204 HA ILE 25 HA ILE 25 11.256 6.514 -1.705 205 HB ILE 25 HB ILE 25 10.279 6.002 1.125 206 HG12 ILE 25 HG12 ILE 25 10.129 8.524 -0.552 207 HG13 ILE 25 HG11 ILE 25 8.812 7.357 -0.449 208 HG21 ILE 25 HG21 ILE 25 11.771 8.032 1.594 209 HG22 ILE 25 HG22 ILE 25 12.508 7.722 0.023 210 HG23 ILE 25 HG23 ILE 25 12.601 6.506 1.296 211 HD11 ILE 25 HD11 ILE 25 8.874 9.424 1.198 212 HD12 ILE 25 HD12 ILE 25 10.009 8.423 2.098 213 HD13 ILE 25 HD13 ILE 25 8.374 7.841 1.789 214 H GLN 26 HN GLN 26 10.974 3.969 0.819 215 HA GLN 26 HA GLN 26 13.456 2.728 -0.227 216 HB2 GLN 26 HB2 GLN 26 14.156 4.403 1.498 217 HB3 GLN 26 HB1 GLN 26 13.167 3.543 2.680 218 HG2 GLN 26 HG2 GLN 26 14.477 1.523 2.395 219 HG3 GLN 26 HG1 GLN 26 15.389 2.253 1.073 220 HE21 GLN 26 HE21 GLN 26 16.821 1.302 3.287 221 HE22 GLN 26 HE22 GLN 26 17.427 2.611 4.184 222 H LEU 27 HN LEU 27 13.645 0.551 0.306 223 HA LEU 27 HA LEU 27 11.339 -0.684 1.771 224 HB2 LEU 27 HB2 LEU 27 11.993 -2.666 0.057 225 HB3 LEU 27 HB1 LEU 27 10.813 -1.427 -0.358 226 HG LEU 27 HG LEU 27 13.719 -0.879 -0.930 227 HD11 LEU 27 HD11 LEU 27 13.374 -1.920 -3.197 228 HD12 LEU 27 HD12 LEU 27 11.909 -2.673 -2.566 229 HD13 LEU 27 HD13 LEU 27 13.479 -3.080 -1.872 230 HD21 LEU 27 HD21 LEU 27 12.880 0.649 -2.475 231 HD22 LEU 27 HD22 LEU 27 11.597 0.691 -1.269 232 HD23 LEU 27 HD23 LEU 27 11.394 -0.258 -2.739 233 H TRP 28 HN TRP 28 11.839 -2.583 2.948 234 HA TRP 28 HA TRP 28 14.764 -3.117 3.367 235 HB2 TRP 28 HB2 TRP 28 12.523 -2.887 5.390 236 HB3 TRP 28 HB1 TRP 28 14.075 -3.640 5.760 237 HD1 TRP 28 HD1 TRP 28 12.399 -0.326 5.499 238 HE1 TRP 28 HE1 TRP 28 14.119 1.567 5.838 239 HE3 TRP 28 HE3 TRP 28 16.733 -3.011 5.207 240 HZ2 TRP 28 HZ2 TRP 28 16.959 1.896 5.968 241 HZ3 TRP 28 HZ3 TRP 28 18.929 -1.885 5.440 242 HH2 TRP 28 HH2 TRP 28 19.048 0.562 5.819 243 H GLU 29 HN GLU 29 15.011 -5.018 2.334 244 HA GLU 29 HA GLU 29 13.041 -7.011 1.946 245 HB2 GLU 29 HB2 GLU 29 16.067 -7.206 1.999 246 HB3 GLU 29 HB1 GLU 29 15.008 -8.512 1.470 247 HG2 GLU 29 HG2 GLU 29 15.511 -7.454 -0.558 248 HG3 GLU 29 HG1 GLU 29 13.981 -6.696 -0.134 249 H ASN 30 HN ASN 30 12.426 -8.779 3.117 250 HA ASN 30 HA ASN 30 13.896 -9.518 5.573 251 HB2 ASN 30 HB2 ASN 30 12.374 -7.753 6.332 252 HB3 ASN 30 HB1 ASN 30 11.011 -8.566 5.568 253 HD21 ASN 30 HD21 ASN 30 9.779 -9.327 7.297 254 HD22 ASN 30 HD22 ASN 30 10.388 -10.254 8.582 255 H THR 31 HN THR 31 14.199 -11.619 4.973 256 HA THR 31 HA THR 31 12.041 -13.147 3.657 257 HB THR 31 HB THR 31 14.729 -14.206 4.556 258 HG1 THR 31 HG1 THR 31 14.724 -13.483 2.001 259 HG21 THR 31 HG21 THR 31 14.417 -15.837 2.882 260 HG22 THR 31 HG22 THR 31 13.166 -14.895 2.071 261 HG23 THR 31 HG23 THR 31 12.820 -15.678 3.614 262 H HIS 32 HN HIS 32 11.180 -12.407 6.141 263 HA HIS 32 HA HIS 32 11.802 -14.502 8.099 264 HB2 HIS 32 HB2 HIS 32 11.319 -12.172 8.807 265 HB3 HIS 32 HB1 HIS 32 9.685 -12.330 8.162 266 HD1 HIS 32 HD1 HIS 32 11.787 -14.659 10.345 267 HD2 HIS 32 HD2 HIS 32 8.055 -12.800 10.338 268 HE1 HIS 32 HE1 HIS 32 10.584 -15.459 12.424 269 H GLU 33 HN GLU 33 10.560 -15.222 5.475 270 HA GLU 33 HA GLU 33 8.946 -16.692 4.669 271 HB2 GLU 33 HB2 GLU 33 9.784 -17.985 6.674 272 HB3 GLU 33 HB1 GLU 33 8.433 -17.316 7.588 273 HG2 GLU 33 HG2 GLU 33 7.699 -19.437 6.777 274 HG3 GLU 33 HG1 GLU 33 6.910 -18.225 5.771 275 H SER 34 HN SER 34 7.426 -15.692 7.747 276 HA SER 34 HA SER 34 4.832 -15.395 6.626 277 HB2 SER 34 HB2 SER 34 4.320 -14.155 8.711 278 HB3 SER 34 HB1 SER 34 5.218 -15.637 9.034 279 HG SER 34 HG SER 34 5.863 -13.188 9.722 280 H ILE 35 HN ILE 35 7.483 -13.068 7.030 281 HA ILE 35 HA ILE 35 5.821 -11.016 5.594 282 HB ILE 35 HB ILE 35 8.193 -10.668 7.452 283 HG12 ILE 35 HG12 ILE 35 5.317 -9.755 7.749 284 HG13 ILE 35 HG11 ILE 35 5.931 -11.250 8.452 285 HG21 ILE 35 HG21 ILE 35 6.594 -8.729 5.768 286 HG22 ILE 35 HG22 ILE 35 8.343 -8.949 5.803 287 HG23 ILE 35 HG23 ILE 35 7.521 -8.208 7.174 288 HD11 ILE 35 HD11 ILE 35 7.446 -10.085 9.870 289 HD12 ILE 35 HD12 ILE 35 5.931 -9.189 9.978 290 HD13 ILE 35 HD13 ILE 35 7.245 -8.579 8.974 291 H SER 36 HN SER 36 6.439 -10.483 3.605 292 HA SER 36 HA SER 36 8.868 -11.664 2.452 293 HB2 SER 36 HB2 SER 36 7.038 -9.763 0.996 294 HB3 SER 36 HB1 SER 36 7.933 -11.146 0.368 295 HG SER 36 HG SER 36 5.872 -11.387 2.296 296 H GLN 37 HN GLN 37 7.522 -8.353 2.234 297 HA GLN 37 HA GLN 37 10.229 -7.259 2.862 298 HB2 GLN 37 HB2 GLN 37 9.971 -7.389 0.379 299 HB3 GLN 37 HB1 GLN 37 8.526 -6.383 0.504 300 HG2 GLN 37 HG2 GLN 37 9.841 -4.571 1.503 301 HG3 GLN 37 HG1 GLN 37 11.289 -5.572 1.453 302 HE21 GLN 37 HE21 GLN 37 12.583 -5.172 -0.334 303 HE22 GLN 37 HE22 GLN 37 12.031 -4.596 -1.833 304 H VAL 38 HN VAL 38 10.170 -5.130 3.709 305 HA VAL 38 HA VAL 38 7.469 -3.987 4.295 306 HB VAL 38 HB VAL 38 8.196 -5.268 6.279 307 HG11 VAL 38 HG11 VAL 38 10.251 -4.883 7.382 308 HG12 VAL 38 HG12 VAL 38 10.539 -3.378 6.511 309 HG13 VAL 38 HG13 VAL 38 10.693 -4.924 5.675 310 HG21 VAL 38 HG21 VAL 38 7.010 -2.993 6.407 311 HG22 VAL 38 HG22 VAL 38 8.585 -2.318 6.821 312 HG23 VAL 38 HG23 VAL 38 7.841 -3.525 7.869 313 H GLY 39 HN GLY 39 7.426 -1.742 4.181 314 HA2 GLY 39 HA2 GLY 39 9.883 -0.179 4.342 315 HA3 GLY 39 HA1 GLY 39 9.276 -0.328 2.695 316 H LEU 40 HN LEU 40 9.058 2.058 2.881 317 HA LEU 40 HA LEU 40 6.367 2.746 3.969 318 HB2 LEU 40 HB2 LEU 40 7.141 4.766 4.993 319 HB3 LEU 40 HB1 LEU 40 8.205 3.486 5.558 320 HG LEU 40 HG LEU 40 8.825 5.427 3.302 321 HD11 LEU 40 HD11 LEU 40 9.749 5.191 6.167 322 HD12 LEU 40 HD12 LEU 40 9.027 6.585 5.364 323 HD13 LEU 40 HD13 LEU 40 10.664 6.080 4.949 324 HD21 LEU 40 HD21 LEU 40 11.175 4.300 3.723 325 HD22 LEU 40 HD22 LEU 40 9.999 3.489 2.699 326 HD23 LEU 40 HD23 LEU 40 10.215 2.970 4.372 327 H LEU 41 HN LEU 41 5.227 4.287 2.773 328 HA LEU 41 HA LEU 41 6.429 4.929 0.098 329 HB2 LEU 41 HB2 LEU 41 3.501 4.863 0.870 330 HB3 LEU 41 HB1 LEU 41 4.179 4.985 -0.751 331 HG LEU 41 HG LEU 41 4.588 2.628 1.099 332 HD11 LEU 41 HD11 LEU 41 2.771 2.959 -1.303 333 HD12 LEU 41 HD12 LEU 41 2.248 2.807 0.374 334 HD13 LEU 41 HD13 LEU 41 3.040 1.451 -0.429 335 HD21 LEU 41 HD21 LEU 41 5.270 1.591 -1.176 336 HD22 LEU 41 HD22 LEU 41 6.417 2.684 -0.411 337 HD23 LEU 41 HD23 LEU 41 5.404 3.256 -1.739 338 H GLY 42 HN GLY 42 6.699 7.006 -0.449 339 HA2 GLY 42 HA2 GLY 42 6.153 9.094 1.505 340 HA3 GLY 42 HA1 GLY 42 6.930 9.314 -0.060 341 H ASP 43 HN ASP 43 5.028 11.118 0.862 342 HA ASP 43 HA ASP 43 3.214 11.189 -1.358 343 HB2 ASP 43 HB2 ASP 43 2.085 9.458 0.086 344 HB3 ASP 43 HB1 ASP 43 1.912 10.694 1.335 345 H GLU 44 HN GLU 44 2.507 13.292 -1.627 346 HA GLU 44 HA GLU 44 3.710 15.400 -0.183 347 HB2 GLU 44 HB2 GLU 44 2.168 16.871 -1.362 348 HB3 GLU 44 HB1 GLU 44 2.682 15.590 -2.459 349 HG2 GLU 44 HG2 GLU 44 0.595 14.324 -1.859 350 HG3 GLU 44 HG1 GLU 44 0.063 15.732 -0.940 351 H THR 45 HN THR 45 1.136 13.371 0.715 352 HA THR 45 HA THR 45 0.011 15.338 2.648 353 HB THR 45 HB THR 45 -1.609 13.401 3.075 354 HG1 THR 45 HG1 THR 45 -1.200 12.266 0.701 355 HG21 THR 45 HG21 THR 45 -2.912 13.904 1.099 356 HG22 THR 45 HG22 THR 45 -1.470 14.408 0.222 357 HG23 THR 45 HG23 THR 45 -2.061 15.373 1.573 358 H GLY 46 HN GLY 46 2.395 12.922 2.499 359 HA2 GLY 46 HA2 GLY 46 3.557 13.053 4.883 360 HA3 GLY 46 HA1 GLY 46 2.101 12.189 5.371 361 H ILE 47 HN ILE 47 3.493 10.422 6.004 362 HA ILE 47 HA ILE 47 4.393 8.730 3.691 363 HB ILE 47 HB ILE 47 6.173 7.855 5.172 364 HG12 ILE 47 HG12 ILE 47 5.312 10.057 7.082 365 HG13 ILE 47 HG11 ILE 47 4.999 8.343 7.339 366 HG21 ILE 47 HG21 ILE 47 7.649 9.673 4.892 367 HG22 ILE 47 HG22 ILE 47 6.380 10.866 5.164 368 HG23 ILE 47 HG23 ILE 47 6.416 9.943 3.663 369 HD11 ILE 47 HD11 ILE 47 7.521 7.989 7.097 370 HD12 ILE 47 HD12 ILE 47 6.985 8.808 8.565 371 HD13 ILE 47 HD13 ILE 47 7.674 9.741 7.237 372 H ILE 48 HN ILE 48 4.137 6.430 4.026 373 HA ILE 48 HA ILE 48 2.542 5.628 6.399 374 HB ILE 48 HB ILE 48 1.220 6.234 4.094 375 HG12 ILE 48 HG12 ILE 48 0.111 5.736 6.192 376 HG13 ILE 48 HG11 ILE 48 -0.594 4.736 4.939 377 HG21 ILE 48 HG21 ILE 48 2.446 4.381 2.884 378 HG22 ILE 48 HG22 ILE 48 0.690 4.277 2.813 379 HG23 ILE 48 HG23 ILE 48 1.592 3.234 3.911 380 HD11 ILE 48 HD11 ILE 48 1.158 3.934 7.212 381 HD12 ILE 48 HD12 ILE 48 1.213 2.991 5.725 382 HD13 ILE 48 HD13 ILE 48 -0.299 3.165 6.600 383 H LYS 49 HN LYS 49 2.884 3.542 7.028 384 HA LYS 49 HA LYS 49 5.163 2.154 5.758 385 HB2 LYS 49 HB2 LYS 49 3.674 1.677 8.343 386 HB3 LYS 49 HB1 LYS 49 5.025 0.690 7.780 387 HG2 LYS 49 HG2 LYS 49 6.457 2.706 7.702 388 HG3 LYS 49 HG1 LYS 49 5.111 3.675 8.302 389 HD2 LYS 49 HD2 LYS 49 5.031 2.307 10.346 390 HD3 LYS 49 HD1 LYS 49 6.378 1.340 9.748 391 HE2 LYS 49 HE2 LYS 49 7.813 3.339 9.708 392 HE3 LYS 49 HE1 LYS 49 6.469 4.319 10.294 393 HZ1 LYS 49 HZ1 LYS 49 6.681 3.529 12.369 394 HZ2 LYS 49 HZ2 LYS 49 8.266 3.157 11.882 395 HZ3 LYS 49 HZ3 LYS 49 7.063 1.957 11.861 396 H PHE 50 HN PHE 50 4.994 0.071 4.850 397 HA PHE 50 HA PHE 50 2.267 -1.157 4.776 398 HB2 PHE 50 HB2 PHE 50 2.368 -1.467 2.395 399 HB3 PHE 50 HB1 PHE 50 2.690 0.238 2.702 400 HD1 PHE 50 HD2 PHE 50 5.104 1.051 2.714 401 HD2 PHE 50 HD1 PHE 50 3.975 -2.854 1.344 402 HE1 PHE 50 HE2 PHE 50 7.264 0.847 1.507 403 HE2 PHE 50 HE1 PHE 50 6.133 -3.065 0.148 404 HZ PHE 50 HZ PHE 50 7.780 -1.216 0.228 405 H THR 51 HN THR 51 2.279 -3.401 4.395 406 HA THR 51 HA THR 51 4.947 -4.752 4.599 407 HB THR 51 HB THR 51 2.388 -5.488 6.056 408 HG1 THR 51 HG1 THR 51 4.700 -4.086 6.712 409 HG21 THR 51 HG21 THR 51 3.993 -7.115 7.188 410 HG22 THR 51 HG22 THR 51 5.124 -6.760 5.882 411 HG23 THR 51 HG23 THR 51 3.562 -7.496 5.520 412 H ILE 52 HN ILE 52 5.209 -6.371 3.136 413 HA ILE 52 HA ILE 52 2.884 -7.052 1.391 414 HB ILE 52 HB ILE 52 5.848 -7.584 1.038 415 HG12 ILE 52 HG12 ILE 52 5.408 -5.191 0.998 416 HG13 ILE 52 HG11 ILE 52 5.706 -5.744 -0.647 417 HG21 ILE 52 HG21 ILE 52 4.715 -9.187 -0.275 418 HG22 ILE 52 HG22 ILE 52 5.045 -7.866 -1.400 419 HG23 ILE 52 HG23 ILE 52 3.434 -8.051 -0.708 420 HD11 ILE 52 HD11 ILE 52 3.079 -6.008 -0.734 421 HD12 ILE 52 HD12 ILE 52 3.804 -4.416 -0.933 422 HD13 ILE 52 HD13 ILE 52 3.119 -4.881 0.620 423 H TRP 53 HN TRP 53 1.852 -8.909 1.757 424 HA TRP 53 HA TRP 53 3.057 -10.940 3.504 425 HB2 TRP 53 HB2 TRP 53 0.393 -10.678 2.089 426 HB3 TRP 53 HB1 TRP 53 0.849 -12.138 2.968 427 HD1 TRP 53 HD1 TRP 53 -0.608 -8.771 3.473 428 HE1 TRP 53 HE1 TRP 53 -0.823 -8.249 5.987 429 HE3 TRP 53 HE3 TRP 53 2.230 -12.550 5.402 430 HZ2 TRP 53 HZ2 TRP 53 0.091 -9.296 8.489 431 HZ3 TRP 53 HZ3 TRP 53 2.543 -12.764 7.851 432 HH2 TRP 53 HH2 TRP 53 1.479 -11.142 9.395 433 H LYS 54 HN LYS 54 4.268 -12.574 2.748 434 HA LYS 54 HA LYS 54 4.887 -12.899 -0.013 435 HB2 LYS 54 HB2 LYS 54 5.968 -13.774 2.350 436 HB3 LYS 54 HB1 LYS 54 5.250 -15.273 1.772 437 HG2 LYS 54 HG2 LYS 54 6.466 -15.047 -0.352 438 HG3 LYS 54 HG1 LYS 54 7.139 -13.511 0.178 439 HD2 LYS 54 HD2 LYS 54 8.253 -14.623 2.071 440 HD3 LYS 54 HD1 LYS 54 7.584 -16.172 1.560 441 HE2 LYS 54 HE2 LYS 54 8.777 -15.988 -0.587 442 HE3 LYS 54 HE1 LYS 54 9.445 -14.435 -0.084 443 HZ1 LYS 54 HZ1 LYS 54 10.032 -17.128 0.950 444 HZ2 LYS 54 HZ2 LYS 54 10.262 -15.771 1.946 445 HZ3 LYS 54 HZ3 LYS 54 11.107 -15.904 0.478 446 H ASN 55 HN ASN 55 2.206 -13.920 1.828 447 HA ASN 55 HA ASN 55 1.503 -16.355 0.514 448 HB2 ASN 55 HB2 ASN 55 -0.157 -14.210 1.863 449 HB3 ASN 55 HB1 ASN 55 -0.841 -15.723 1.269 450 HD21 ASN 55 HD21 ASN 55 -0.844 -15.043 4.067 451 HD22 ASN 55 HD22 ASN 55 0.169 -16.136 4.879 452 H ALA 56 HN ALA 56 0.796 -12.957 -0.241 453 HA ALA 56 HA ALA 56 -0.967 -13.461 -2.438 454 HB1 ALA 56 HB1 ALA 56 -0.520 -11.248 -1.179 455 HB2 ALA 56 HB2 ALA 56 -0.758 -11.154 -2.924 456 HB3 ALA 56 HB3 ALA 56 0.870 -11.070 -2.249 457 H GLU 57 HN GLU 57 2.525 -13.299 -2.148 458 HA GLU 57 HA GLU 57 4.236 -13.804 -3.641 459 HB2 GLU 57 HB2 GLU 57 2.003 -15.302 -5.052 460 HB3 GLU 57 HB1 GLU 57 3.715 -15.455 -5.430 461 HG2 GLU 57 HG2 GLU 57 2.514 -16.002 -2.703 462 HG3 GLU 57 HG1 GLU 57 2.894 -17.247 -3.892 463 H LEU 58 HN LEU 58 3.282 -11.295 -3.934 464 HA LEU 58 HA LEU 58 2.822 -10.888 -6.835 465 HB2 LEU 58 HB2 LEU 58 2.647 -8.967 -4.506 466 HB3 LEU 58 HB1 LEU 58 2.283 -8.554 -6.179 467 HG LEU 58 HG LEU 58 0.896 -10.843 -4.768 468 HD11 LEU 58 HD11 LEU 58 -0.980 -9.233 -4.374 469 HD12 LEU 58 HD12 LEU 58 0.094 -7.923 -4.864 470 HD13 LEU 58 HD13 LEU 58 0.461 -8.872 -3.423 471 HD21 LEU 58 HD21 LEU 58 0.561 -10.924 -7.139 472 HD22 LEU 58 HD22 LEU 58 0.338 -9.179 -7.243 473 HD23 LEU 58 HD23 LEU 58 -0.895 -10.183 -6.487 474 HA PRO 59 HA PRO 59 7.002 -9.622 -7.699 475 HB2 PRO 59 HB2 PRO 59 5.876 -7.095 -8.852 476 HB3 PRO 59 HB1 PRO 59 6.979 -8.275 -9.586 477 HG2 PRO 59 HG2 PRO 59 4.377 -8.137 -10.248 478 HG3 PRO 59 HG1 PRO 59 5.273 -9.666 -10.232 479 HD2 PRO 59 HD2 PRO 59 3.203 -8.691 -8.325 480 HD3 PRO 59 HD1 PRO 59 3.680 -10.350 -8.748 481 H LEU 60 HN LEU 60 8.630 -8.289 -6.830 482 HA LEU 60 HA LEU 60 7.996 -6.891 -4.396 483 HB2 LEU 60 HB2 LEU 60 10.565 -6.858 -6.002 484 HB3 LEU 60 HB1 LEU 60 10.388 -6.375 -4.316 485 HG LEU 60 HG LEU 60 9.816 -9.146 -5.408 486 HD11 LEU 60 HD11 LEU 60 12.250 -8.361 -5.306 487 HD12 LEU 60 HD12 LEU 60 11.870 -9.830 -4.410 488 HD13 LEU 60 HD13 LEU 60 12.050 -8.298 -3.555 489 HD21 LEU 60 HD21 LEU 60 9.924 -9.581 -2.803 490 HD22 LEU 60 HD22 LEU 60 8.437 -8.972 -3.518 491 HD23 LEU 60 HD23 LEU 60 9.531 -7.864 -2.690 492 H LEU 61 HN LEU 61 8.333 -4.677 -3.922 493 HA LEU 61 HA LEU 61 7.348 -2.913 -6.009 494 HB2 LEU 61 HB2 LEU 61 8.156 -2.481 -3.125 495 HB3 LEU 61 HB1 LEU 61 7.573 -1.178 -4.158 496 HG LEU 61 HG LEU 61 5.743 -2.130 -2.802 497 HD11 LEU 61 HD11 LEU 61 5.553 -1.432 -5.381 498 HD12 LEU 61 HD12 LEU 61 4.175 -2.054 -4.482 499 HD13 LEU 61 HD13 LEU 61 5.082 -3.123 -5.548 500 HD21 LEU 61 HD21 LEU 61 6.883 -4.482 -2.856 501 HD22 LEU 61 HD22 LEU 61 5.979 -4.704 -4.356 502 HD23 LEU 61 HD23 LEU 61 5.124 -4.394 -2.851 503 H GLU 62 HN GLU 62 8.404 -1.099 -6.867 504 HA GLU 62 HA GLU 62 11.389 -1.292 -6.829 505 HB2 GLU 62 HB2 GLU 62 9.507 -0.032 -8.844 506 HB3 GLU 62 HB1 GLU 62 11.264 -0.092 -8.986 507 HG2 GLU 62 HG2 GLU 62 9.474 -2.529 -8.756 508 HG3 GLU 62 HG1 GLU 62 10.145 -1.918 -10.269 509 H GLN 63 HN GLN 63 12.628 0.528 -6.496 510 HA GLN 63 HA GLN 63 11.408 2.612 -4.860 511 HB2 GLN 63 HB2 GLN 63 13.683 1.525 -4.485 512 HB3 GLN 63 HB1 GLN 63 14.260 2.480 -5.849 513 HG2 GLN 63 HG2 GLN 63 13.506 4.547 -4.694 514 HG3 GLN 63 HG1 GLN 63 13.015 3.567 -3.310 515 HE21 GLN 63 HE21 GLN 63 14.585 4.174 -1.759 516 HE22 GLN 63 HE22 GLN 63 16.257 3.997 -1.992 517 H GLY 64 HN GLY 64 10.913 4.673 -5.487 518 HA2 GLY 64 HA2 GLY 64 11.115 6.673 -6.773 519 HA3 GLY 64 HA1 GLY 64 12.087 5.801 -7.953 520 H GLU 65 HN GLU 65 9.615 3.749 -7.495 521 HA GLU 65 HA GLU 65 8.072 4.913 -9.780 522 HB2 GLU 65 HB2 GLU 65 8.375 2.073 -8.782 523 HB3 GLU 65 HB1 GLU 65 7.254 2.552 -10.060 524 HG2 GLU 65 HG2 GLU 65 9.131 3.473 -11.368 525 HG3 GLU 65 HG1 GLU 65 10.254 2.995 -10.095 526 H SER 66 HN SER 66 5.801 4.927 -9.745 527 HA SER 66 HA SER 66 4.624 5.073 -7.024 528 HB2 SER 66 HB2 SER 66 3.796 6.110 -9.729 529 HB3 SER 66 HB1 SER 66 2.640 6.031 -8.401 530 HG SER 66 HG SER 66 5.192 7.270 -8.244 531 H TYR 67 HN TYR 67 3.088 3.677 -6.329 532 HA TYR 67 HA TYR 67 2.137 1.569 -8.240 533 HB2 TYR 67 HB2 TYR 67 2.987 1.366 -5.343 534 HB3 TYR 67 HB1 TYR 67 2.039 0.114 -6.149 535 HD1 TYR 67 HD1 TYR 67 2.961 -1.071 -8.135 536 HD2 TYR 67 HD2 TYR 67 5.320 1.663 -5.821 537 HE1 TYR 67 HE1 TYR 67 5.022 -1.995 -9.152 538 HE2 TYR 67 HE2 TYR 67 7.388 0.740 -6.833 539 HH TYR 67 HH TYR 67 7.803 -0.578 -9.274 540 H LEU 68 HN LEU 68 0.035 0.961 -8.108 541 HA LEU 68 HA LEU 68 -1.766 2.660 -6.422 542 HB2 LEU 68 HB2 LEU 68 -2.224 3.079 -8.716 543 HB3 LEU 68 HB1 LEU 68 -2.076 1.380 -9.150 544 HG LEU 68 HG LEU 68 -4.152 0.863 -7.965 545 HD11 LEU 68 HD11 LEU 68 -4.039 3.790 -7.213 546 HD12 LEU 68 HD12 LEU 68 -4.062 2.409 -6.118 547 HD13 LEU 68 HD13 LEU 68 -5.496 2.814 -7.060 548 HD21 LEU 68 HD21 LEU 68 -5.700 2.030 -9.409 549 HD22 LEU 68 HD22 LEU 68 -4.216 1.756 -10.323 550 HD23 LEU 68 HD23 LEU 68 -4.553 3.349 -9.647 551 H LEU 69 HN LEU 69 -2.376 1.515 -4.670 552 HA LEU 69 HA LEU 69 -2.629 -1.445 -4.827 553 HB2 LEU 69 HB2 LEU 69 -2.880 0.409 -2.435 554 HB3 LEU 69 HB1 LEU 69 -2.754 -1.347 -2.396 555 HG LEU 69 HG LEU 69 -0.631 0.553 -3.429 556 HD11 LEU 69 HD11 LEU 69 -0.945 -1.035 -0.876 557 HD12 LEU 69 HD12 LEU 69 -0.625 0.690 -1.059 558 HD13 LEU 69 HD13 LEU 69 0.632 -0.485 -1.442 559 HD21 LEU 69 HD21 LEU 69 -0.874 -2.456 -3.378 560 HD22 LEU 69 HD22 LEU 69 0.714 -1.692 -3.305 561 HD23 LEU 69 HD23 LEU 69 -0.334 -1.409 -4.691 562 H ARG 70 HN ARG 70 -4.605 -2.420 -4.892 563 HA ARG 70 HA ARG 70 -7.025 -0.709 -4.384 564 HB2 ARG 70 HB2 ARG 70 -6.602 -2.852 -6.482 565 HB3 ARG 70 HB1 ARG 70 -8.152 -2.081 -6.133 566 HG2 ARG 70 HG2 ARG 70 -7.235 0.109 -6.702 567 HG3 ARG 70 HG1 ARG 70 -5.641 -0.601 -6.950 568 HD2 ARG 70 HD2 ARG 70 -6.732 -0.293 -9.115 569 HD3 ARG 70 HD1 ARG 70 -6.579 -2.013 -8.768 570 HE ARG 70 HE ARG 70 -8.943 -2.150 -8.510 571 HH11 ARG 70 HH21 ARG 70 -7.809 1.101 -8.848 572 HH12 ARG 70 HH22 ARG 70 -9.389 1.757 -9.113 573 HH21 ARG 70 HH11 ARG 70 -11.000 -1.300 -8.855 574 HH22 ARG 70 HH12 ARG 70 -11.192 0.402 -9.116 575 H SER 71 HN SER 71 -8.652 -1.590 -3.217 576 HA SER 71 HA SER 71 -9.707 -2.982 -1.684 577 HB2 SER 71 HB2 SER 71 -10.252 -4.448 -3.445 578 HB3 SER 71 HB1 SER 71 -8.585 -4.971 -3.653 579 HG SER 71 HG SER 71 -8.717 -6.117 -1.773 580 H VAL 72 HN VAL 72 -7.798 -2.022 -0.321 581 HA VAL 72 HA VAL 72 -6.261 -4.323 0.857 582 HB VAL 72 HB VAL 72 -4.656 -2.448 1.622 583 HG11 VAL 72 HG11 VAL 72 -3.453 -2.533 -0.544 584 HG12 VAL 72 HG12 VAL 72 -4.907 -3.172 -1.312 585 HG13 VAL 72 HG13 VAL 72 -4.074 -4.113 -0.074 586 HG21 VAL 72 HG21 VAL 72 -6.285 -0.621 0.943 587 HG22 VAL 72 HG22 VAL 72 -5.920 -1.021 -0.735 588 HG23 VAL 72 HG23 VAL 72 -4.645 -0.419 0.324 589 H VAL 73 HN VAL 73 -5.854 -4.095 3.173 590 HA VAL 73 HA VAL 73 -8.029 -2.564 4.569 591 HB VAL 73 HB VAL 73 -8.326 -5.040 4.586 592 HG11 VAL 73 HG11 VAL 73 -5.822 -5.119 6.283 593 HG12 VAL 73 HG12 VAL 73 -5.812 -5.488 4.557 594 HG13 VAL 73 HG13 VAL 73 -6.758 -6.480 5.667 595 HG21 VAL 73 HG21 VAL 73 -8.611 -5.233 7.032 596 HG22 VAL 73 HG22 VAL 73 -9.158 -3.660 6.449 597 HG23 VAL 73 HG23 VAL 73 -7.599 -3.807 7.262 598 H VAL 74 HN VAL 74 -7.394 -1.207 6.147 599 HA VAL 74 HA VAL 74 -4.517 -0.849 6.620 600 HB VAL 74 HB VAL 74 -6.825 0.670 7.864 601 HG11 VAL 74 HG11 VAL 74 -5.227 2.361 8.293 602 HG12 VAL 74 HG12 VAL 74 -4.060 1.669 7.167 603 HG13 VAL 74 HG13 VAL 74 -4.386 0.869 8.702 604 HG21 VAL 74 HG21 VAL 74 -6.593 2.243 5.979 605 HG22 VAL 74 HG22 VAL 74 -7.039 0.642 5.392 606 HG23 VAL 74 HG23 VAL 74 -5.374 1.201 5.251 607 H GLY 75 HN GLY 75 -3.492 -1.857 8.243 608 HA2 GLY 75 HA2 GLY 75 -5.073 -3.015 10.486 609 HA3 GLY 75 HA1 GLY 75 -3.429 -3.470 10.042 610 H GLU 76 HN GLU 76 -3.329 -3.110 12.519 611 HA GLU 76 HA GLU 76 -2.749 -0.230 13.133 612 HB2 GLU 76 HB2 GLU 76 -3.474 -2.569 14.921 613 HB3 GLU 76 HB1 GLU 76 -2.970 -0.987 15.521 614 HG2 GLU 76 HG2 GLU 76 -4.838 0.081 14.354 615 HG3 GLU 76 HG1 GLU 76 -5.327 -1.472 13.680 616 H TYR 77 HN TYR 77 -0.626 0.241 13.197 617 HA TYR 77 HA TYR 77 1.340 -1.947 13.786 618 HB2 TYR 77 HB2 TYR 77 1.584 -0.815 11.589 619 HB3 TYR 77 HB1 TYR 77 1.763 0.730 12.417 620 HD1 TYR 77 HD2 TYR 77 3.222 -2.703 12.205 621 HD2 TYR 77 HD1 TYR 77 3.879 1.420 13.216 622 HE1 TYR 77 HE2 TYR 77 5.635 -3.167 12.530 623 HE2 TYR 77 HE1 TYR 77 6.294 0.954 13.542 624 HH TYR 77 HH TYR 77 7.703 -2.131 12.669 625 H ASN 78 HN ASN 78 0.867 -1.633 16.083 626 HA ASN 78 HA ASN 78 1.004 -0.499 18.170 627 HB2 ASN 78 HB2 ASN 78 3.780 -0.382 16.966 628 HB3 ASN 78 HB1 ASN 78 3.431 -0.070 18.666 629 HD21 ASN 78 HD21 ASN 78 5.000 -2.341 17.473 630 HD22 ASN 78 HD22 ASN 78 4.227 -3.754 18.006 631 H ASP 79 HN ASP 79 3.564 1.456 16.833 632 HA ASP 79 HA ASP 79 2.736 3.881 17.940 633 HB2 ASP 79 HB2 ASP 79 4.960 3.495 16.923 634 HB3 ASP 79 HB1 ASP 79 4.216 3.488 15.324 635 H ARG 80 HN ARG 80 2.486 3.238 14.418 636 HA ARG 80 HA ARG 80 -0.071 4.823 14.411 637 HB2 ARG 80 HB2 ARG 80 2.140 4.709 12.337 638 HB3 ARG 80 HB1 ARG 80 0.581 5.500 12.089 639 HG2 ARG 80 HG2 ARG 80 1.003 7.006 13.970 640 HG3 ARG 80 HG1 ARG 80 2.521 6.179 14.319 641 HD2 ARG 80 HD2 ARG 80 2.996 8.213 13.057 642 HD3 ARG 80 HD1 ARG 80 3.343 6.812 12.044 643 HE ARG 80 HE ARG 80 0.634 7.671 11.620 644 HH11 ARG 80 HH21 ARG 80 3.932 8.527 11.033 645 HH12 ARG 80 HH22 ARG 80 3.583 9.374 9.562 646 HH21 ARG 80 HH11 ARG 80 0.174 8.774 9.705 647 HH22 ARG 80 HH12 ARG 80 1.461 9.513 8.811 648 H PHE 81 HN PHE 81 -0.782 4.351 11.776 649 HA PHE 81 HA PHE 81 -1.592 1.489 11.928 650 HB2 PHE 81 HB2 PHE 81 -2.623 3.738 10.171 651 HB3 PHE 81 HB1 PHE 81 -3.332 2.132 10.339 652 HD1 PHE 81 HD1 PHE 81 -4.467 1.453 12.409 653 HD2 PHE 81 HD2 PHE 81 -2.826 5.395 11.939 654 HE1 PHE 81 HE1 PHE 81 -5.757 2.227 14.381 655 HE2 PHE 81 HE2 PHE 81 -4.114 6.167 13.911 656 HZ PHE 81 HZ PHE 81 -5.581 4.583 15.131 657 H GLN 82 HN GLN 82 -1.643 0.271 9.841 658 HA GLN 82 HA GLN 82 0.314 1.217 7.803 659 HB2 GLN 82 HB2 GLN 82 1.435 -0.996 7.829 660 HB3 GLN 82 HB1 GLN 82 1.624 -0.148 9.362 661 HG2 GLN 82 HG2 GLN 82 -0.276 -1.444 10.297 662 HG3 GLN 82 HG1 GLN 82 -0.411 -2.321 8.773 663 HE21 GLN 82 HE21 GLN 82 2.408 -2.630 8.226 664 HE22 GLN 82 HE22 GLN 82 3.055 -3.677 9.395 665 H VAL 83 HN VAL 83 0.201 -0.092 5.813 666 HA VAL 83 HA VAL 83 -2.556 -1.191 5.387 667 HB VAL 83 HB VAL 83 -1.897 -0.767 2.912 668 HG11 VAL 83 HG11 VAL 83 -2.395 1.402 4.961 669 HG12 VAL 83 HG12 VAL 83 -3.562 0.611 3.903 670 HG13 VAL 83 HG13 VAL 83 -2.387 1.738 3.229 671 HG21 VAL 83 HG21 VAL 83 0.127 1.012 4.319 672 HG22 VAL 83 HG22 VAL 83 -0.189 0.971 2.585 673 HG23 VAL 83 HG23 VAL 83 0.526 -0.427 3.384 674 H GLN 84 HN GLN 84 -2.748 -3.298 4.871 675 HA GLN 84 HA GLN 84 -0.234 -4.866 4.418 676 HB2 GLN 84 HB2 GLN 84 -2.966 -5.653 5.465 677 HB3 GLN 84 HB1 GLN 84 -1.673 -6.805 5.124 678 HG2 GLN 84 HG2 GLN 84 -0.193 -5.597 6.696 679 HG3 GLN 84 HG1 GLN 84 -1.502 -4.473 7.054 680 HE21 GLN 84 HE21 GLN 84 -2.190 -5.018 9.136 681 HE22 GLN 84 HE22 GLN 84 -2.575 -6.592 9.645 682 H VAL 85 HN VAL 85 0.066 -5.875 2.506 683 HA VAL 85 HA VAL 85 -2.153 -5.769 0.500 684 HB VAL 85 HB VAL 85 0.839 -6.167 0.170 685 HG11 VAL 85 HG11 VAL 85 -1.461 -6.131 -1.791 686 HG12 VAL 85 HG12 VAL 85 -0.213 -7.361 -1.603 687 HG13 VAL 85 HG13 VAL 85 0.195 -5.788 -2.287 688 HG21 VAL 85 HG21 VAL 85 0.795 -3.932 -0.790 689 HG22 VAL 85 HG22 VAL 85 0.062 -3.870 0.814 690 HG23 VAL 85 HG23 VAL 85 -0.959 -3.859 -0.623 691 H ASN 86 HN ASN 86 -3.180 -7.621 0.069 692 HA ASN 86 HA ASN 86 -1.797 -10.237 0.586 693 HB2 ASN 86 HB2 ASN 86 -4.682 -9.438 1.078 694 HB3 ASN 86 HB1 ASN 86 -4.106 -11.104 1.119 695 HD21 ASN 86 HD21 ASN 86 -4.967 -8.830 3.236 696 HD22 ASN 86 HD22 ASN 86 -3.826 -9.075 4.469 697 H LYS 87 HN LYS 87 -3.366 -11.992 -0.537 698 HA LYS 87 HA LYS 87 -3.019 -11.719 -3.340 699 HB2 LYS 87 HB2 LYS 87 -4.381 -13.763 -3.486 700 HB3 LYS 87 HB1 LYS 87 -3.243 -13.881 -2.145 701 HG2 LYS 87 HG2 LYS 87 -5.043 -13.123 -0.590 702 HG3 LYS 87 HG1 LYS 87 -6.179 -13.148 -1.938 703 HD2 LYS 87 HD2 LYS 87 -5.750 -15.545 -2.274 704 HD3 LYS 87 HD1 LYS 87 -4.608 -15.532 -0.928 705 HE2 LYS 87 HE2 LYS 87 -6.415 -14.820 0.599 706 HE3 LYS 87 HE1 LYS 87 -7.557 -14.842 -0.746 707 HZ1 LYS 87 HZ1 LYS 87 -6.083 -17.280 -0.533 708 HZ2 LYS 87 HZ2 LYS 87 -7.762 -17.033 -0.603 709 HZ3 LYS 87 HZ3 LYS 87 -6.949 -16.942 0.885 710 H ASN 88 HN ASN 88 -5.762 -10.979 -1.251 711 HA ASN 88 HA ASN 88 -7.735 -10.660 -3.290 712 HB2 ASN 88 HB2 ASN 88 -8.315 -10.786 -0.907 713 HB3 ASN 88 HB1 ASN 88 -7.468 -9.268 -0.605 714 HD21 ASN 88 HD21 ASN 88 -10.068 -9.142 0.123 715 HD22 ASN 88 HD22 ASN 88 -11.012 -8.315 -1.020 716 H SER 89 HN SER 89 -5.335 -8.433 -1.926 717 HA SER 89 HA SER 89 -6.341 -6.150 -3.414 718 HB2 SER 89 HB2 SER 89 -5.149 -5.726 -1.369 719 HB3 SER 89 HB1 SER 89 -3.756 -6.651 -1.921 720 HG SER 89 HG SER 89 -4.756 -4.384 -3.297 721 H SER 90 HN SER 90 -4.946 -4.979 -4.997 722 HA SER 90 HA SER 90 -3.264 -6.821 -6.667 723 HB2 SER 90 HB2 SER 90 -4.312 -5.969 -8.682 724 HB3 SER 90 HB1 SER 90 -5.573 -6.589 -7.622 725 HG SER 90 HG SER 90 -6.073 -4.515 -8.467 726 H ILE 91 HN ILE 91 -1.736 -5.657 -8.035 727 HA ILE 91 HA ILE 91 -1.125 -2.879 -7.067 728 HB ILE 91 HB ILE 91 0.801 -5.142 -7.678 729 HG12 ILE 91 HG12 ILE 91 0.331 -3.608 -5.110 730 HG13 ILE 91 HG11 ILE 91 -0.433 -5.156 -5.462 731 HG21 ILE 91 HG21 ILE 91 2.488 -3.416 -6.846 732 HG22 ILE 91 HG22 ILE 91 1.219 -2.210 -7.054 733 HG23 ILE 91 HG23 ILE 91 1.813 -3.113 -8.447 734 HD11 ILE 91 HD11 ILE 91 1.661 -5.377 -4.108 735 HD12 ILE 91 HD12 ILE 91 2.562 -4.692 -5.460 736 HD13 ILE 91 HD13 ILE 91 1.736 -6.239 -5.645 737 H GLU 92 HN GLU 92 -0.822 -1.401 -8.650 738 HA GLU 92 HA GLU 92 -0.203 -2.356 -11.419 739 HB2 GLU 92 HB2 GLU 92 -2.226 -0.169 -10.907 740 HB3 GLU 92 HB1 GLU 92 -1.943 -1.079 -12.390 741 HG2 GLU 92 HG2 GLU 92 -3.065 -2.225 -9.812 742 HG3 GLU 92 HG1 GLU 92 -4.001 -1.840 -11.254 743 H LYS 93 HN LYS 93 1.289 -1.100 -12.435 744 HA LYS 93 HA LYS 93 2.514 1.088 -10.904 745 HB2 LYS 93 HB2 LYS 93 3.164 -0.281 -13.518 746 HB3 LYS 93 HB1 LYS 93 4.062 1.125 -12.947 747 HG2 LYS 93 HG2 LYS 93 4.666 -0.038 -10.895 748 HG3 LYS 93 HG1 LYS 93 3.682 -1.427 -11.363 749 HD2 LYS 93 HD2 LYS 93 5.107 -1.745 -13.368 750 HD3 LYS 93 HD1 LYS 93 6.109 -0.387 -12.854 751 HE2 LYS 93 HE2 LYS 93 6.692 -1.565 -10.790 752 HE3 LYS 93 HE1 LYS 93 5.641 -2.908 -11.234 753 HZ1 LYS 93 HZ1 LYS 93 8.167 -3.008 -11.751 754 HZ2 LYS 93 HZ2 LYS 93 7.751 -2.046 -13.089 755 HZ3 LYS 93 HZ3 LYS 93 7.050 -3.580 -12.893 756 H LEU 94 HN LEU 94 2.311 3.236 -11.348 757 HA LEU 94 HA LEU 94 0.523 4.007 -13.638 758 HB2 LEU 94 HB2 LEU 94 0.961 5.116 -10.880 759 HB3 LEU 94 HB1 LEU 94 0.478 6.225 -12.164 760 HG LEU 94 HG LEU 94 -1.509 4.915 -12.631 761 HD11 LEU 94 HD11 LEU 94 -1.989 2.951 -11.011 762 HD12 LEU 94 HD12 LEU 94 -0.255 2.969 -10.693 763 HD13 LEU 94 HD13 LEU 94 -0.853 2.668 -12.323 764 HD21 LEU 94 HD21 LEU 94 -2.737 5.373 -10.646 765 HD22 LEU 94 HD22 LEU 94 -1.409 6.533 -10.629 766 HD23 LEU 94 HD23 LEU 94 -1.332 5.090 -9.618 767 H SER 95 HN SER 95 1.313 5.282 -15.206 768 HA SER 95 HA SER 95 4.164 5.857 -15.269 769 HB2 SER 95 HB2 SER 95 3.709 6.766 -17.487 770 HB3 SER 95 HB1 SER 95 2.832 5.249 -17.301 771 HG SER 95 HG SER 95 1.700 7.265 -18.119 772 H GLU 96 HN GLU 96 1.715 7.269 -13.646 773 HA GLU 96 HA GLU 96 2.712 10.059 -14.023 774 HB2 GLU 96 HB2 GLU 96 0.261 9.612 -14.352 775 HB3 GLU 96 HB1 GLU 96 0.174 9.155 -12.651 776 HG2 GLU 96 HG2 GLU 96 1.323 11.821 -13.504 777 HG3 GLU 96 HG1 GLU 96 -0.407 11.603 -13.255 778 HA PRO 97 HA PRO 97 4.373 8.813 -9.911 779 HB2 PRO 97 HB2 PRO 97 6.639 10.326 -9.957 780 HB3 PRO 97 HB1 PRO 97 6.512 8.764 -10.789 781 HG2 PRO 97 HG2 PRO 97 6.371 11.519 -11.909 782 HG3 PRO 97 HG1 PRO 97 7.074 10.049 -12.607 783 HD2 PRO 97 HD2 PRO 97 4.576 11.089 -13.279 784 HD3 PRO 97 HD1 PRO 97 5.074 9.406 -13.557 785 H ILE 98 HN ILE 98 4.667 10.005 -7.894 786 HA ILE 98 HA ILE 98 3.250 12.640 -7.927 787 HB ILE 98 HB ILE 98 3.712 10.662 -5.675 788 HG12 ILE 98 HG12 ILE 98 1.132 11.417 -7.069 789 HG13 ILE 98 HG11 ILE 98 2.109 10.039 -7.573 790 HG21 ILE 98 HG21 ILE 98 3.555 12.835 -4.706 791 HG22 ILE 98 HG22 ILE 98 1.932 12.158 -4.587 792 HG23 ILE 98 HG23 ILE 98 2.306 13.335 -5.846 793 HD11 ILE 98 HD11 ILE 98 0.201 9.575 -5.905 794 HD12 ILE 98 HD12 ILE 98 1.218 10.375 -4.708 795 HD13 ILE 98 HD13 ILE 98 1.788 8.913 -5.515 796 H GLU 99 HN GLU 99 4.371 14.432 -7.451 797 HA GLU 99 HA GLU 99 7.201 14.365 -6.995 798 HB2 GLU 99 HB2 GLU 99 7.017 16.795 -6.776 799 HB3 GLU 99 HB1 GLU 99 6.029 16.237 -8.126 800 HG2 GLU 99 HG2 GLU 99 4.038 16.244 -6.606 801 HG3 GLU 99 HG1 GLU 99 5.050 16.951 -5.344 802 H VAL 100 HN VAL 100 8.372 14.523 -5.128 803 HA VAL 100 HA VAL 100 6.860 14.345 -2.560 804 HB VAL 100 HB VAL 100 9.166 13.616 -1.697 805 HG11 VAL 100 HG11 VAL 100 8.863 11.339 -2.565 806 HG12 VAL 100 HG12 VAL 100 7.862 11.956 -3.881 807 HG13 VAL 100 HG13 VAL 100 7.291 12.059 -2.215 808 HG21 VAL 100 HG21 VAL 100 10.777 12.882 -3.365 809 HG22 VAL 100 HG22 VAL 100 10.399 14.577 -3.675 810 HG23 VAL 100 HG23 VAL 100 9.678 13.316 -4.675 811 H GLY 101 HN GLY 101 7.292 16.866 -4.025 812 HA2 GLY 101 HA2 GLY 101 7.478 19.026 -2.918 813 HA3 GLY 101 HA1 GLY 101 8.713 18.352 -1.857 814 H LEU 102 HN LEU 102 8.407 20.539 -4.170 815 HA LEU 102 HA LEU 102 10.750 19.820 -5.826 816 HB2 LEU 102 HB2 LEU 102 8.766 22.100 -5.791 817 HB3 LEU 102 HB1 LEU 102 10.250 22.213 -6.737 818 HG LEU 102 HG LEU 102 9.648 20.092 -7.894 819 HD11 LEU 102 HD11 LEU 102 7.182 19.402 -7.606 820 HD12 LEU 102 HD12 LEU 102 7.218 20.339 -6.111 821 HD13 LEU 102 HD13 LEU 102 8.290 18.952 -6.309 822 HD21 LEU 102 HD21 LEU 102 9.017 22.121 -9.016 823 HD22 LEU 102 HD22 LEU 102 7.644 22.366 -7.936 824 HD23 LEU 102 HD23 LEU 102 7.618 21.050 -9.110 825 H GLU 103 HN GLU 103 10.245 21.070 -2.794 826 HA GLU 103 HA GLU 103 12.269 23.175 -2.810 827 HB2 GLU 103 HB2 GLU 103 11.909 23.220 -0.384 828 HB3 GLU 103 HB1 GLU 103 10.356 23.178 -1.217 829 HG2 GLU 103 HG2 GLU 103 10.303 20.698 -0.894 830 HG3 GLU 103 HG1 GLU 103 11.781 20.824 0.060 831 H HIS 104 HN HIS 104 12.422 19.854 -2.977 832 HA HIS 104 HA HIS 104 14.558 19.228 -1.175 833 HB2 HIS 104 HB2 HIS 104 13.150 17.515 -2.283 834 HB3 HIS 104 HB1 HIS 104 13.853 17.953 -3.839 835 HD1 HIS 104 HD1 HIS 104 14.796 16.419 -0.509 836 HD2 HIS 104 HD2 HIS 104 16.388 16.862 -4.336 837 HE1 HIS 104 HE1 HIS 104 16.879 14.981 -0.588 838 H HIS 105 HN HIS 105 14.503 20.305 -4.560 839 HA HIS 105 HA HIS 105 17.385 20.168 -4.852 840 HB2 HIS 105 HB2 HIS 105 15.738 20.022 -6.749 841 HB3 HIS 105 HB1 HIS 105 15.407 21.740 -6.524 842 HD1 HIS 105 HD1 HIS 105 17.264 23.422 -7.193 843 HD2 HIS 105 HD2 HIS 105 18.303 19.439 -7.859 844 HE1 HIS 105 HE1 HIS 105 19.360 23.455 -8.615 845 H HIS 106 HN HIS 106 18.852 21.662 -4.292 846 HA HIS 106 HA HIS 106 18.135 24.510 -4.067 847 HB2 HIS 106 HB2 HIS 106 18.995 24.692 -1.755 848 HB3 HIS 106 HB1 HIS 106 17.595 23.623 -1.819 849 HD1 HIS 106 HD1 HIS 106 18.105 21.007 -1.733 850 HD2 HIS 106 HD2 HIS 106 21.360 23.468 -0.884 851 HE1 HIS 106 HE1 HIS 106 19.847 19.536 -0.630 852 H HIS 107 HN HIS 107 19.991 22.382 -5.401 853 HA HIS 107 HA HIS 107 22.665 23.278 -4.648 854 HB2 HIS 107 HB2 HIS 107 22.403 20.999 -5.416 855 HB3 HIS 107 HB1 HIS 107 21.646 21.538 -6.915 856 HD1 HIS 107 HD1 HIS 107 24.979 21.803 -5.089 857 HD2 HIS 107 HD2 HIS 107 23.454 22.061 -8.962 858 HE1 HIS 107 HE1 HIS 107 26.974 22.028 -6.632 859 H HIS 108 HN HIS 108 23.692 25.022 -5.463 860 HA HIS 108 HA HIS 108 23.151 25.947 -8.202 861 HB2 HIS 108 HB2 HIS 108 22.655 28.275 -7.446 862 HB3 HIS 108 HB1 HIS 108 21.404 27.126 -6.976 863 HD1 HIS 108 HD1 HIS 108 24.677 28.331 -5.391 864 HD2 HIS 108 HD2 HIS 108 20.720 27.533 -4.350 865 HE1 HIS 108 HE1 HIS 108 24.464 28.861 -2.923 866 H HIS 109 HN HIS 109 24.685 27.718 -8.801 867 HA HIS 109 HA HIS 109 26.959 28.203 -7.019 868 HB2 HIS 109 HB2 HIS 109 27.559 26.000 -7.922 869 HB3 HIS 109 HB1 HIS 109 27.290 26.580 -9.565 870 HD1 HIS 109 HD1 HIS 109 29.512 27.354 -6.564 871 HD2 HIS 109 HD2 HIS 109 29.525 27.749 -10.714 872 HE1 HIS 109 HE1 HIS 109 31.804 28.231 -7.194 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -12.703 3.595 -12.382 2 H2 MET 1 HT2 MET 1 -11.313 4.571 -12.410 3 H3 MET 1 HT3 MET 1 -11.768 3.697 -13.794 4 HA MET 1 HA MET 1 -12.409 5.924 -14.191 5 HB2 MET 1 HB2 MET 1 -14.805 4.348 -13.197 6 HB3 MET 1 HB1 MET 1 -14.864 5.710 -14.315 7 HG2 MET 1 HG2 MET 1 -14.915 3.847 -15.749 8 HG3 MET 1 HG1 MET 1 -13.211 4.300 -15.760 9 HE1 MET 1 HE1 MET 1 -14.148 1.738 -16.773 10 HE2 MET 1 HE2 MET 1 -15.443 1.308 -15.658 11 HE3 MET 1 HE3 MET 1 -14.009 0.290 -15.765 12 H GLU 2 HN GLU 2 -13.347 4.751 -11.000 13 HA GLU 2 HA GLU 2 -12.960 7.405 -9.869 14 HB2 GLU 2 HB2 GLU 2 -15.338 7.415 -10.856 15 HB3 GLU 2 HB1 GLU 2 -15.741 6.243 -9.599 16 HG2 GLU 2 HG2 GLU 2 -14.838 7.872 -7.900 17 HG3 GLU 2 HG1 GLU 2 -14.686 9.055 -9.197 18 HA PRO 3 HA PRO 3 -12.549 3.457 -7.237 19 HB2 PRO 3 HB2 PRO 3 -9.813 3.678 -6.829 20 HB3 PRO 3 HB1 PRO 3 -10.556 2.714 -8.122 21 HG2 PRO 3 HG2 PRO 3 -9.368 5.449 -8.246 22 HG3 PRO 3 HG1 PRO 3 -9.265 4.122 -9.416 23 HD2 PRO 3 HD2 PRO 3 -10.945 6.233 -9.776 24 HD3 PRO 3 HD1 PRO 3 -11.351 4.599 -10.344 25 H GLN 4 HN GLN 4 -12.519 3.533 -4.996 26 HA GLN 4 HA GLN 4 -12.635 6.148 -3.757 27 HB2 GLN 4 HB2 GLN 4 -12.538 3.401 -2.480 28 HB3 GLN 4 HB1 GLN 4 -13.058 4.891 -1.694 29 HG2 GLN 4 HG2 GLN 4 -15.083 3.854 -2.371 30 HG3 GLN 4 HG1 GLN 4 -14.790 5.080 -3.604 31 HE21 GLN 4 HE21 GLN 4 -15.698 4.035 -5.436 32 HE22 GLN 4 HE22 GLN 4 -15.161 2.536 -6.024 33 H LEU 5 HN LEU 5 -10.591 7.109 -4.000 34 HA LEU 5 HA LEU 5 -8.136 5.769 -3.204 35 HB2 LEU 5 HB2 LEU 5 -8.696 8.722 -3.614 36 HB3 LEU 5 HB1 LEU 5 -7.099 7.979 -3.521 37 HG LEU 5 HG LEU 5 -9.208 7.360 -5.612 38 HD11 LEU 5 HD11 LEU 5 -7.468 8.427 -7.134 39 HD12 LEU 5 HD12 LEU 5 -6.669 9.009 -5.672 40 HD13 LEU 5 HD13 LEU 5 -8.310 9.538 -6.052 41 HD21 LEU 5 HD21 LEU 5 -6.496 6.209 -4.973 42 HD22 LEU 5 HD22 LEU 5 -7.021 6.277 -6.655 43 HD23 LEU 5 HD23 LEU 5 -7.971 5.381 -5.475 44 H THR 6 HN THR 6 -6.933 6.106 -1.312 45 HA THR 6 HA THR 6 -8.374 7.480 0.936 46 HB THR 6 HB THR 6 -6.725 4.943 1.039 47 HG1 THR 6 HG1 THR 6 -8.584 4.077 0.655 48 HG21 THR 6 HG21 THR 6 -6.379 6.141 3.073 49 HG22 THR 6 HG22 THR 6 -7.628 4.947 3.426 50 HG23 THR 6 HG23 THR 6 -8.070 6.633 3.152 51 H LYS 7 HN LYS 7 -7.211 8.987 1.954 52 HA LYS 7 HA LYS 7 -4.342 9.318 1.237 53 HB2 LYS 7 HB2 LYS 7 -6.377 11.171 2.498 54 HB3 LYS 7 HB1 LYS 7 -4.678 11.593 2.277 55 HG2 LYS 7 HG2 LYS 7 -4.897 11.224 -0.152 56 HG3 LYS 7 HG1 LYS 7 -6.593 10.791 0.064 57 HD2 LYS 7 HD2 LYS 7 -7.019 13.048 1.022 58 HD3 LYS 7 HD1 LYS 7 -5.338 13.476 0.703 59 HE2 LYS 7 HE2 LYS 7 -7.293 12.561 -1.426 60 HE3 LYS 7 HE1 LYS 7 -6.911 14.250 -1.090 61 HZ1 LYS 7 HZ1 LYS 7 -4.819 14.044 -1.926 62 HZ2 LYS 7 HZ2 LYS 7 -5.609 12.896 -2.897 63 HZ3 LYS 7 HZ3 LYS 7 -4.694 12.393 -1.557 64 H ILE 8 HN ILE 8 -2.821 9.875 2.955 65 HA ILE 8 HA ILE 8 -2.950 8.095 5.188 66 HB ILE 8 HB ILE 8 -1.209 10.516 4.678 67 HG12 ILE 8 HG12 ILE 8 -0.567 7.560 4.499 68 HG13 ILE 8 HG11 ILE 8 -1.072 8.523 3.112 69 HG21 ILE 8 HG21 ILE 8 -1.157 8.417 6.858 70 HG22 ILE 8 HG22 ILE 8 -1.141 10.172 7.038 71 HG23 ILE 8 HG23 ILE 8 0.280 9.336 6.412 72 HD11 ILE 8 HD11 ILE 8 0.844 10.073 3.547 73 HD12 ILE 8 HD12 ILE 8 1.362 8.431 3.164 74 HD13 ILE 8 HD13 ILE 8 1.379 8.994 4.835 75 H VAL 9 HN VAL 9 -3.529 11.590 4.914 76 HA VAL 9 HA VAL 9 -3.982 12.069 7.699 77 HB VAL 9 HB VAL 9 -3.585 13.861 6.024 78 HG11 VAL 9 HG11 VAL 9 -6.443 13.309 5.165 79 HG12 VAL 9 HG12 VAL 9 -5.017 12.848 4.234 80 HG13 VAL 9 HG13 VAL 9 -5.368 14.551 4.523 81 HG21 VAL 9 HG21 VAL 9 -4.692 14.349 8.208 82 HG22 VAL 9 HG22 VAL 9 -6.260 14.130 7.431 83 HG23 VAL 9 HG23 VAL 9 -5.202 15.447 6.926 84 H ASP 10 HN ASP 10 -5.943 10.621 5.235 85 HA ASP 10 HA ASP 10 -8.481 10.969 6.655 86 HB2 ASP 10 HB2 ASP 10 -7.643 9.188 4.349 87 HB3 ASP 10 HB1 ASP 10 -9.298 9.301 4.951 88 H ILE 11 HN ILE 11 -5.778 9.093 7.222 89 HA ILE 11 HA ILE 11 -6.999 6.584 7.945 90 HB ILE 11 HB ILE 11 -4.422 7.846 8.930 91 HG12 ILE 11 HG12 ILE 11 -4.825 7.381 6.381 92 HG13 ILE 11 HG11 ILE 11 -3.319 6.857 7.120 93 HG21 ILE 11 HG21 ILE 11 -5.578 5.075 9.178 94 HG22 ILE 11 HG22 ILE 11 -4.880 6.091 10.438 95 HG23 ILE 11 HG23 ILE 11 -3.837 5.341 9.231 96 HD11 ILE 11 HD11 ILE 11 -3.976 4.600 7.155 97 HD12 ILE 11 HD12 ILE 11 -4.603 5.171 5.609 98 HD13 ILE 11 HD13 ILE 11 -5.685 4.992 6.987 99 H VAL 12 HN VAL 12 -8.727 6.816 9.325 100 HA VAL 12 HA VAL 12 -8.230 8.138 11.959 101 HB VAL 12 HB VAL 12 -9.997 9.289 10.794 102 HG11 VAL 12 HG11 VAL 12 -11.296 6.580 10.355 103 HG12 VAL 12 HG12 VAL 12 -10.421 7.473 9.112 104 HG13 VAL 12 HG13 VAL 12 -11.901 8.137 9.798 105 HG21 VAL 12 HG21 VAL 12 -10.341 8.501 13.230 106 HG22 VAL 12 HG22 VAL 12 -11.452 7.314 12.549 107 HG23 VAL 12 HG23 VAL 12 -11.768 9.036 12.344 108 H GLU 13 HN GLU 13 -9.704 5.348 10.308 109 HA GLU 13 HA GLU 13 -9.594 3.861 12.919 110 HB2 GLU 13 HB2 GLU 13 -11.922 4.403 12.266 111 HB3 GLU 13 HB1 GLU 13 -11.669 3.570 10.732 112 HG2 GLU 13 HG2 GLU 13 -11.223 1.470 11.907 113 HG3 GLU 13 HG1 GLU 13 -11.372 2.286 13.463 114 H ASN 14 HN ASN 14 -8.828 1.779 12.842 115 HA ASN 14 HA ASN 14 -7.338 1.045 10.411 116 HB2 ASN 14 HB2 ASN 14 -6.349 -0.709 11.803 117 HB3 ASN 14 HB1 ASN 14 -6.275 0.844 12.631 118 HD21 ASN 14 HD21 ASN 14 -6.111 -0.544 14.650 119 HD22 ASN 14 HD22 ASN 14 -7.540 -1.139 15.346 120 H GLY 15 HN GLY 15 -7.446 -1.210 9.603 121 HA2 GLY 15 HA2 GLY 15 -8.621 -3.142 8.920 122 HA3 GLY 15 HA1 GLY 15 -9.856 -2.782 10.129 123 H GLN 16 HN GLN 16 -9.089 -0.112 8.170 124 HA GLN 16 HA GLN 16 -11.737 -0.233 6.908 125 HB2 GLN 16 HB2 GLN 16 -10.842 1.885 7.821 126 HB3 GLN 16 HB1 GLN 16 -9.536 1.831 6.639 127 HG2 GLN 16 HG2 GLN 16 -11.163 1.927 4.804 128 HG3 GLN 16 HG1 GLN 16 -12.490 1.914 5.964 129 HE21 GLN 16 HE21 GLN 16 -10.052 3.676 7.414 130 HE22 GLN 16 HE22 GLN 16 -10.512 5.233 6.918 131 H TRP 17 HN TRP 17 -12.129 -0.907 4.861 132 HA TRP 17 HA TRP 17 -9.834 -1.766 3.192 133 HB2 TRP 17 HB2 TRP 17 -12.821 -2.207 2.996 134 HB3 TRP 17 HB1 TRP 17 -11.674 -2.783 1.785 135 HD1 TRP 17 HD1 TRP 17 -12.668 -3.272 5.451 136 HE1 TRP 17 HE1 TRP 17 -11.704 -5.518 6.273 137 HE3 TRP 17 HE3 TRP 17 -9.853 -4.559 1.393 138 HZ2 TRP 17 HZ2 TRP 17 -9.966 -7.588 5.331 139 HZ3 TRP 17 HZ3 TRP 17 -8.555 -6.671 1.379 140 HH2 TRP 17 HH2 TRP 17 -8.608 -8.186 3.341 141 H ALA 18 HN ALA 18 -9.164 -0.622 1.461 142 HA ALA 18 HA ALA 18 -10.898 0.887 -0.257 143 HB1 ALA 18 HB1 ALA 18 -9.208 2.538 1.649 144 HB2 ALA 18 HB2 ALA 18 -10.970 2.459 1.653 145 HB3 ALA 18 HB3 ALA 18 -10.122 3.167 0.279 146 H ASN 19 HN ASN 19 -9.260 2.640 -1.449 147 HA ASN 19 HA ASN 19 -6.936 0.956 -2.300 148 HB2 ASN 19 HB2 ASN 19 -8.383 3.220 -3.698 149 HB3 ASN 19 HB1 ASN 19 -7.011 2.331 -4.365 150 HD21 ASN 19 HD21 ASN 19 -9.382 2.208 -5.811 151 HD22 ASN 19 HD22 ASN 19 -10.094 0.677 -5.641 152 H LEU 20 HN LEU 20 -4.866 1.852 -2.390 153 HA LEU 20 HA LEU 20 -4.551 4.619 -1.278 154 HB2 LEU 20 HB2 LEU 20 -3.985 3.017 0.478 155 HB3 LEU 20 HB1 LEU 20 -2.909 2.157 -0.623 156 HG LEU 20 HG LEU 20 -1.441 4.106 -0.783 157 HD11 LEU 20 HD11 LEU 20 -2.022 6.026 0.927 158 HD12 LEU 20 HD12 LEU 20 -3.672 5.425 0.755 159 HD13 LEU 20 HD13 LEU 20 -2.794 6.013 -0.656 160 HD21 LEU 20 HD21 LEU 20 -2.097 3.748 2.143 161 HD22 LEU 20 HD22 LEU 20 -0.521 4.034 1.406 162 HD23 LEU 20 HD23 LEU 20 -1.323 2.477 1.196 163 H LYS 21 HN LYS 21 -3.251 5.904 -2.444 164 HA LYS 21 HA LYS 21 -1.566 4.677 -4.608 165 HB2 LYS 21 HB2 LYS 21 -3.487 6.033 -5.404 166 HB3 LYS 21 HB1 LYS 21 -2.861 7.416 -4.508 167 HG2 LYS 21 HG2 LYS 21 -0.768 7.315 -5.822 168 HG3 LYS 21 HG1 LYS 21 -1.410 5.950 -6.732 169 HD2 LYS 21 HD2 LYS 21 -2.850 8.606 -6.583 170 HD3 LYS 21 HD1 LYS 21 -1.639 8.269 -7.818 171 HE2 LYS 21 HE2 LYS 21 -3.016 6.173 -8.380 172 HE3 LYS 21 HE1 LYS 21 -4.286 6.870 -7.377 173 HZ1 LYS 21 HZ1 LYS 21 -4.881 7.877 -9.257 174 HZ2 LYS 21 HZ2 LYS 21 -3.366 7.654 -9.993 175 HZ3 LYS 21 HZ3 LYS 21 -3.610 8.946 -8.917 176 H ALA 22 HN ALA 22 0.623 5.092 -4.436 177 HA ALA 22 HA ALA 22 1.593 7.573 -3.251 178 HB1 ALA 22 HB1 ALA 22 1.918 5.008 -1.674 179 HB2 ALA 22 HB2 ALA 22 1.010 6.436 -1.174 180 HB3 ALA 22 HB3 ALA 22 2.765 6.516 -1.329 181 H LYS 23 HN LYS 23 4.093 7.259 -2.774 182 HA LYS 23 HA LYS 23 5.253 5.727 -5.072 183 HB2 LYS 23 HB2 LYS 23 5.410 8.203 -5.252 184 HB3 LYS 23 HB1 LYS 23 6.306 8.228 -3.734 185 HG2 LYS 23 HG2 LYS 23 8.065 6.831 -4.723 186 HG3 LYS 23 HG1 LYS 23 7.161 6.743 -6.235 187 HD2 LYS 23 HD2 LYS 23 7.327 9.186 -6.490 188 HD3 LYS 23 HD1 LYS 23 8.219 9.289 -4.971 189 HE2 LYS 23 HE2 LYS 23 9.803 9.310 -6.822 190 HE3 LYS 23 HE1 LYS 23 9.965 7.789 -5.945 191 HZ1 LYS 23 HZ1 LYS 23 8.017 7.744 -8.075 192 HZ2 LYS 23 HZ2 LYS 23 9.225 6.616 -7.680 193 HZ3 LYS 23 HZ3 LYS 23 9.610 7.992 -8.599 194 H VAL 24 HN VAL 24 6.966 4.375 -4.691 195 HA VAL 24 HA VAL 24 7.472 3.659 -1.895 196 HB VAL 24 HB VAL 24 8.633 2.614 -4.490 197 HG11 VAL 24 HG11 VAL 24 8.863 1.640 -1.629 198 HG12 VAL 24 HG12 VAL 24 10.178 2.114 -2.701 199 HG13 VAL 24 HG13 VAL 24 9.260 0.644 -3.029 200 HG21 VAL 24 HG21 VAL 24 7.007 0.889 -4.345 201 HG22 VAL 24 HG22 VAL 24 6.111 2.354 -3.944 202 HG23 VAL 24 HG23 VAL 24 6.636 1.265 -2.662 203 H ILE 25 HN ILE 25 8.910 4.779 -0.706 204 HA ILE 25 HA ILE 25 11.124 6.244 -2.034 205 HB ILE 25 HB ILE 25 10.441 6.182 0.910 206 HG12 ILE 25 HG12 ILE 25 8.404 6.839 -0.201 207 HG13 ILE 25 HG11 ILE 25 9.162 8.305 0.414 208 HG21 ILE 25 HG21 ILE 25 11.658 8.425 -0.709 209 HG22 ILE 25 HG22 ILE 25 12.649 7.147 -0.009 210 HG23 ILE 25 HG23 ILE 25 11.691 8.192 1.039 211 HD11 ILE 25 HD11 ILE 25 10.268 8.464 -1.933 212 HD12 ILE 25 HD12 ILE 25 8.563 8.886 -1.789 213 HD13 ILE 25 HD13 ILE 25 9.030 7.309 -2.427 214 H GLN 26 HN GLN 26 10.665 3.879 0.613 215 HA GLN 26 HA GLN 26 13.333 2.735 -0.038 216 HB2 GLN 26 HB2 GLN 26 12.525 3.831 2.662 217 HB3 GLN 26 HB1 GLN 26 13.835 2.666 2.464 218 HG2 GLN 26 HG2 GLN 26 14.990 4.199 0.931 219 HG3 GLN 26 HG1 GLN 26 13.670 5.355 1.072 220 HE21 GLN 26 HE21 GLN 26 16.705 4.617 2.321 221 HE22 GLN 26 HE22 GLN 26 16.589 5.456 3.791 222 H LEU 27 HN LEU 27 13.523 0.577 0.450 223 HA LEU 27 HA LEU 27 11.307 -0.790 1.864 224 HB2 LEU 27 HB2 LEU 27 10.936 -2.383 0.099 225 HB3 LEU 27 HB1 LEU 27 10.778 -0.775 -0.595 226 HG LEU 27 HG LEU 27 13.213 -2.580 -0.790 227 HD11 LEU 27 HD11 LEU 27 11.275 -1.587 -2.896 228 HD12 LEU 27 HD12 LEU 27 11.273 -3.210 -2.203 229 HD13 LEU 27 HD13 LEU 27 12.647 -2.663 -3.164 230 HD21 LEU 27 HD21 LEU 27 14.146 -0.421 -0.798 231 HD22 LEU 27 HD22 LEU 27 12.728 0.298 -1.564 232 HD23 LEU 27 HD23 LEU 27 13.841 -0.689 -2.509 233 H TRP 28 HN TRP 28 12.050 -2.421 3.143 234 HA TRP 28 HA TRP 28 14.908 -3.275 2.770 235 HB2 TRP 28 HB2 TRP 28 13.394 -3.219 5.382 236 HB3 TRP 28 HB1 TRP 28 15.133 -3.405 5.138 237 HD1 TRP 28 HD1 TRP 28 15.926 -1.153 3.298 238 HE1 TRP 28 HE1 TRP 28 15.650 1.329 3.940 239 HE3 TRP 28 HE3 TRP 28 12.331 -1.571 6.898 240 HZ2 TRP 28 HZ2 TRP 28 14.104 2.925 5.744 241 HZ3 TRP 28 HZ3 TRP 28 11.473 0.442 8.060 242 HH2 TRP 28 HH2 TRP 28 12.354 2.687 7.488 243 H GLU 29 HN GLU 29 15.377 -5.454 3.027 244 HA GLU 29 HA GLU 29 13.076 -7.284 2.711 245 HB2 GLU 29 HB2 GLU 29 15.085 -7.400 1.208 246 HB3 GLU 29 HB1 GLU 29 16.045 -7.880 2.606 247 HG2 GLU 29 HG2 GLU 29 15.387 -9.891 1.446 248 HG3 GLU 29 HG1 GLU 29 14.446 -9.808 2.934 249 H ASN 30 HN ASN 30 12.404 -8.658 4.282 250 HA ASN 30 HA ASN 30 13.692 -8.461 6.934 251 HB2 ASN 30 HB2 ASN 30 11.703 -9.456 7.794 252 HB3 ASN 30 HB1 ASN 30 11.174 -8.344 6.534 253 HD21 ASN 30 HD21 ASN 30 10.156 -11.122 7.637 254 HD22 ASN 30 HD22 ASN 30 9.825 -11.986 6.214 255 H THR 31 HN THR 31 13.203 -10.874 8.056 256 HA THR 31 HA THR 31 14.864 -12.806 6.470 257 HB THR 31 HB THR 31 14.721 -12.388 9.469 258 HG1 THR 31 HG1 THR 31 15.882 -10.793 8.257 259 HG21 THR 31 HG21 THR 31 15.165 -14.687 9.114 260 HG22 THR 31 HG22 THR 31 16.752 -13.955 9.349 261 HG23 THR 31 HG23 THR 31 16.199 -14.356 7.723 262 H HIS 32 HN HIS 32 11.885 -12.199 8.051 263 HA HIS 32 HA HIS 32 11.269 -14.995 8.647 264 HB2 HIS 32 HB2 HIS 32 9.488 -12.545 8.535 265 HB3 HIS 32 HB1 HIS 32 8.986 -14.129 9.126 266 HD1 HIS 32 HD1 HIS 32 10.391 -15.061 11.240 267 HD2 HIS 32 HD2 HIS 32 10.825 -10.996 10.425 268 HE1 HIS 32 HE1 HIS 32 11.398 -14.019 13.316 269 H GLU 33 HN GLU 33 10.093 -16.404 7.401 270 HA GLU 33 HA GLU 33 9.980 -15.975 4.550 271 HB2 GLU 33 HB2 GLU 33 8.679 -18.083 6.296 272 HB3 GLU 33 HB1 GLU 33 8.800 -18.167 4.540 273 HG2 GLU 33 HG2 GLU 33 11.195 -17.926 6.384 274 HG3 GLU 33 HG1 GLU 33 10.588 -19.458 5.757 275 H SER 34 HN SER 34 7.611 -15.753 7.150 276 HA SER 34 HA SER 34 5.247 -15.621 5.562 277 HB2 SER 34 HB2 SER 34 5.237 -15.882 8.022 278 HB3 SER 34 HB1 SER 34 5.839 -14.237 8.189 279 HG SER 34 HG SER 34 3.636 -14.453 6.573 280 H ILE 35 HN ILE 35 7.447 -13.035 6.640 281 HA ILE 35 HA ILE 35 5.924 -11.099 4.946 282 HB ILE 35 HB ILE 35 7.982 -10.673 7.124 283 HG12 ILE 35 HG12 ILE 35 5.067 -9.846 6.979 284 HG13 ILE 35 HG11 ILE 35 5.607 -11.342 7.742 285 HG21 ILE 35 HG21 ILE 35 6.684 -8.784 5.163 286 HG22 ILE 35 HG22 ILE 35 8.378 -8.891 5.634 287 HG23 ILE 35 HG23 ILE 35 7.195 -8.215 6.753 288 HD11 ILE 35 HD11 ILE 35 7.069 -10.024 9.253 289 HD12 ILE 35 HD12 ILE 35 5.373 -9.574 9.428 290 HD13 ILE 35 HD13 ILE 35 6.470 -8.538 8.515 291 H SER 36 HN SER 36 6.795 -10.288 3.126 292 HA SER 36 HA SER 36 9.371 -11.374 2.192 293 HB2 SER 36 HB2 SER 36 7.541 -11.298 0.605 294 HB3 SER 36 HB1 SER 36 7.283 -9.587 0.926 295 HG SER 36 HG SER 36 9.363 -9.197 0.073 296 H GLN 37 HN GLN 37 8.036 -8.069 1.979 297 HA GLN 37 HA GLN 37 10.590 -7.008 3.106 298 HB2 GLN 37 HB2 GLN 37 10.736 -5.366 1.265 299 HB3 GLN 37 HB1 GLN 37 10.875 -7.019 0.667 300 HG2 GLN 37 HG2 GLN 37 8.450 -6.982 0.094 301 HG3 GLN 37 HG1 GLN 37 8.379 -5.296 0.613 302 HE21 GLN 37 HE21 GLN 37 7.947 -4.452 -1.539 303 HE22 GLN 37 HE22 GLN 37 9.121 -4.489 -2.763 304 H VAL 38 HN VAL 38 10.421 -4.864 3.917 305 HA VAL 38 HA VAL 38 7.663 -3.724 4.092 306 HB VAL 38 HB VAL 38 8.067 -3.227 6.496 307 HG11 VAL 38 HG11 VAL 38 7.803 -5.589 7.287 308 HG12 VAL 38 HG12 VAL 38 8.220 -6.136 5.663 309 HG13 VAL 38 HG13 VAL 38 6.758 -5.188 5.926 310 HG21 VAL 38 HG21 VAL 38 10.466 -3.243 6.624 311 HG22 VAL 38 HG22 VAL 38 10.553 -4.880 5.977 312 HG23 VAL 38 HG23 VAL 38 9.909 -4.605 7.595 313 H GLY 39 HN GLY 39 7.695 -1.414 4.630 314 HA2 GLY 39 HA2 GLY 39 10.119 0.083 4.883 315 HA3 GLY 39 HA1 GLY 39 9.654 0.036 3.185 316 H LEU 40 HN LEU 40 9.216 2.276 3.148 317 HA LEU 40 HA LEU 40 6.611 3.010 4.417 318 HB2 LEU 40 HB2 LEU 40 7.675 5.370 4.634 319 HB3 LEU 40 HB1 LEU 40 8.084 4.155 5.842 320 HG LEU 40 HG LEU 40 9.824 4.273 3.397 321 HD11 LEU 40 HD11 LEU 40 9.956 6.311 5.638 322 HD12 LEU 40 HD12 LEU 40 9.585 6.646 3.947 323 HD13 LEU 40 HD13 LEU 40 11.193 6.082 4.401 324 HD21 LEU 40 HD21 LEU 40 10.703 4.115 6.286 325 HD22 LEU 40 HD22 LEU 40 11.485 3.447 4.854 326 HD23 LEU 40 HD23 LEU 40 10.022 2.702 5.490 327 H LEU 41 HN LEU 41 5.340 4.431 3.191 328 HA LEU 41 HA LEU 41 6.257 4.811 0.359 329 HB2 LEU 41 HB2 LEU 41 3.428 4.722 1.433 330 HB3 LEU 41 HB1 LEU 41 3.907 4.786 -0.261 331 HG LEU 41 HG LEU 41 4.537 2.537 1.670 332 HD11 LEU 41 HD11 LEU 41 3.001 1.245 0.175 333 HD12 LEU 41 HD12 LEU 41 2.606 2.750 -0.657 334 HD13 LEU 41 HD13 LEU 41 2.187 2.547 1.044 335 HD21 LEU 41 HD21 LEU 41 5.318 3.101 -1.192 336 HD22 LEU 41 HD22 LEU 41 5.166 1.437 -0.629 337 HD23 LEU 41 HD23 LEU 41 6.324 2.518 0.136 338 H GLY 42 HN GLY 42 6.526 6.833 -0.307 339 HA2 GLY 42 HA2 GLY 42 5.971 9.062 1.492 340 HA3 GLY 42 HA1 GLY 42 6.747 9.171 -0.082 341 H ASP 43 HN ASP 43 4.709 10.939 0.847 342 HA ASP 43 HA ASP 43 2.948 10.896 -1.425 343 HB2 ASP 43 HB2 ASP 43 1.895 9.076 -0.065 344 HB3 ASP 43 HB1 ASP 43 1.663 10.232 1.245 345 H GLU 44 HN GLU 44 1.958 12.908 -1.647 346 HA GLU 44 HA GLU 44 3.008 15.137 -0.268 347 HB2 GLU 44 HB2 GLU 44 0.409 14.803 -1.785 348 HB3 GLU 44 HB1 GLU 44 1.017 16.365 -1.234 349 HG2 GLU 44 HG2 GLU 44 3.058 16.065 -2.548 350 HG3 GLU 44 HG1 GLU 44 2.529 14.458 -3.043 351 H THR 45 HN THR 45 0.674 12.882 0.781 352 HA THR 45 HA THR 45 -0.544 14.754 2.738 353 HB THR 45 HB THR 45 -2.057 12.939 3.251 354 HG1 THR 45 HG1 THR 45 -0.774 11.236 1.452 355 HG21 THR 45 HG21 THR 45 -2.938 12.426 0.973 356 HG22 THR 45 HG22 THR 45 -1.460 13.090 0.283 357 HG23 THR 45 HG23 THR 45 -2.557 14.133 1.187 358 H GLY 46 HN GLY 46 2.093 12.597 2.518 359 HA2 GLY 46 HA2 GLY 46 3.486 13.010 4.722 360 HA3 GLY 46 HA1 GLY 46 2.145 12.149 5.475 361 H ILE 47 HN ILE 47 3.678 10.519 6.126 362 HA ILE 47 HA ILE 47 4.435 8.637 3.913 363 HB ILE 47 HB ILE 47 6.410 8.018 5.247 364 HG12 ILE 47 HG12 ILE 47 5.595 10.297 7.091 365 HG13 ILE 47 HG11 ILE 47 5.429 8.587 7.496 366 HG21 ILE 47 HG21 ILE 47 7.661 10.120 4.934 367 HG22 ILE 47 HG22 ILE 47 6.141 11.007 4.811 368 HG23 ILE 47 HG23 ILE 47 6.576 9.826 3.580 369 HD11 ILE 47 HD11 ILE 47 7.894 8.317 7.104 370 HD12 ILE 47 HD12 ILE 47 7.511 9.389 8.449 371 HD13 ILE 47 HD13 ILE 47 8.006 10.064 6.897 372 H ILE 48 HN ILE 48 4.219 6.406 4.406 373 HA ILE 48 HA ILE 48 3.009 5.682 7.018 374 HB ILE 48 HB ILE 48 1.126 6.288 5.489 375 HG12 ILE 48 HG12 ILE 48 1.226 3.308 6.010 376 HG13 ILE 48 HG11 ILE 48 1.014 4.492 7.300 377 HG21 ILE 48 HG21 ILE 48 1.974 3.851 3.910 378 HG22 ILE 48 HG22 ILE 48 2.374 5.496 3.417 379 HG23 ILE 48 HG23 ILE 48 0.687 4.992 3.521 380 HD11 ILE 48 HD11 ILE 48 -0.779 4.226 4.870 381 HD12 ILE 48 HD12 ILE 48 -0.995 5.366 6.198 382 HD13 ILE 48 HD13 ILE 48 -1.163 3.634 6.486 383 H LYS 49 HN LYS 49 3.212 3.457 7.498 384 HA LYS 49 HA LYS 49 5.401 2.118 6.086 385 HB2 LYS 49 HB2 LYS 49 3.754 1.226 8.455 386 HB3 LYS 49 HB1 LYS 49 5.255 0.483 7.905 387 HG2 LYS 49 HG2 LYS 49 5.113 3.402 8.672 388 HG3 LYS 49 HG1 LYS 49 5.429 2.146 9.865 389 HD2 LYS 49 HD2 LYS 49 7.372 1.383 8.499 390 HD3 LYS 49 HD1 LYS 49 7.086 2.718 7.389 391 HE2 LYS 49 HE2 LYS 49 7.367 4.319 9.257 392 HE3 LYS 49 HE1 LYS 49 7.738 2.967 10.330 393 HZ1 LYS 49 HZ1 LYS 49 9.355 2.589 8.163 394 HZ2 LYS 49 HZ2 LYS 49 9.830 3.211 9.672 395 HZ3 LYS 49 HZ3 LYS 49 9.405 4.266 8.409 396 H PHE 50 HN PHE 50 5.278 0.059 5.106 397 HA PHE 50 HA PHE 50 2.565 -1.084 4.699 398 HB2 PHE 50 HB2 PHE 50 2.701 -1.071 2.323 399 HB3 PHE 50 HB1 PHE 50 3.140 0.560 2.820 400 HD1 PHE 50 HD2 PHE 50 5.684 1.081 3.089 401 HD2 PHE 50 HD1 PHE 50 4.162 -2.339 0.987 402 HE1 PHE 50 HE2 PHE 50 7.843 0.850 1.883 403 HE2 PHE 50 HE1 PHE 50 6.321 -2.573 -0.206 404 HZ PHE 50 HZ PHE 50 8.163 -0.977 0.243 405 H THR 51 HN THR 51 2.623 -3.296 4.103 406 HA THR 51 HA THR 51 5.312 -4.616 4.175 407 HB THR 51 HB THR 51 2.847 -5.391 5.751 408 HG1 THR 51 HG1 THR 51 4.476 -3.755 6.467 409 HG21 THR 51 HG21 THR 51 3.699 -7.459 5.033 410 HG22 THR 51 HG22 THR 51 4.506 -7.214 6.581 411 HG23 THR 51 HG23 THR 51 5.367 -6.893 5.076 412 H ILE 52 HN ILE 52 5.533 -6.258 2.707 413 HA ILE 52 HA ILE 52 3.206 -6.775 0.918 414 HB ILE 52 HB ILE 52 6.099 -7.581 0.544 415 HG12 ILE 52 HG12 ILE 52 6.039 -5.164 0.735 416 HG13 ILE 52 HG11 ILE 52 6.187 -5.568 -0.974 417 HG21 ILE 52 HG21 ILE 52 5.455 -7.806 -1.795 418 HG22 ILE 52 HG22 ILE 52 3.835 -7.209 -1.436 419 HG23 ILE 52 HG23 ILE 52 4.360 -8.768 -0.802 420 HD11 ILE 52 HD11 ILE 52 3.593 -5.422 -1.016 421 HD12 ILE 52 HD12 ILE 52 4.506 -3.916 -0.936 422 HD13 ILE 52 HD13 ILE 52 3.766 -4.575 0.520 423 H TRP 53 HN TRP 53 2.079 -8.587 1.175 424 HA TRP 53 HA TRP 53 3.233 -10.825 2.764 425 HB2 TRP 53 HB2 TRP 53 0.420 -10.179 1.852 426 HB3 TRP 53 HB1 TRP 53 0.849 -11.632 2.755 427 HD1 TRP 53 HD1 TRP 53 -0.148 -8.111 3.237 428 HE1 TRP 53 HE1 TRP 53 0.161 -7.409 5.700 429 HE3 TRP 53 HE3 TRP 53 2.648 -12.033 4.925 430 HZ2 TRP 53 HZ2 TRP 53 1.431 -8.385 8.072 431 HZ3 TRP 53 HZ3 TRP 53 3.396 -12.122 7.284 432 HH2 TRP 53 HH2 TRP 53 2.793 -10.305 8.860 433 H LYS 54 HN LYS 54 3.525 -12.853 1.874 434 HA LYS 54 HA LYS 54 3.552 -13.039 -1.059 435 HB2 LYS 54 HB2 LYS 54 4.438 -14.841 1.189 436 HB3 LYS 54 HB1 LYS 54 4.450 -15.387 -0.486 437 HG2 LYS 54 HG2 LYS 54 5.762 -12.763 0.208 438 HG3 LYS 54 HG1 LYS 54 6.610 -14.266 0.563 439 HD2 LYS 54 HD2 LYS 54 6.366 -14.965 -1.797 440 HD3 LYS 54 HD1 LYS 54 5.539 -13.451 -2.159 441 HE2 LYS 54 HE2 LYS 54 8.296 -13.496 -0.931 442 HE3 LYS 54 HE1 LYS 54 8.051 -13.547 -2.677 443 HZ1 LYS 54 HZ1 LYS 54 6.488 -11.529 -1.362 444 HZ2 LYS 54 HZ2 LYS 54 7.487 -11.409 -2.731 445 HZ3 LYS 54 HZ3 LYS 54 8.157 -11.298 -1.173 446 H ASN 55 HN ASN 55 1.331 -13.698 1.401 447 HA ASN 55 HA ASN 55 0.085 -16.091 0.470 448 HB2 ASN 55 HB2 ASN 55 -0.920 -13.688 1.990 449 HB3 ASN 55 HB1 ASN 55 -1.991 -15.028 1.585 450 HD21 ASN 55 HD21 ASN 55 -1.339 -14.387 4.311 451 HD22 ASN 55 HD22 ASN 55 -0.419 -15.663 4.947 452 H ALA 56 HN ALA 56 -0.428 -12.690 -0.400 453 HA ALA 56 HA ALA 56 -2.564 -13.308 -2.291 454 HB1 ALA 56 HB1 ALA 56 -0.961 -10.857 -1.584 455 HB2 ALA 56 HB2 ALA 56 -2.690 -11.133 -1.386 456 HB3 ALA 56 HB3 ALA 56 -2.022 -10.852 -2.993 457 H GLU 57 HN GLU 57 0.770 -13.660 -2.312 458 HA GLU 57 HA GLU 57 2.336 -14.114 -3.982 459 HB2 GLU 57 HB2 GLU 57 -0.210 -14.735 -5.518 460 HB3 GLU 57 HB1 GLU 57 1.410 -15.061 -6.131 461 HG2 GLU 57 HG2 GLU 57 1.886 -16.505 -4.230 462 HG3 GLU 57 HG1 GLU 57 0.323 -16.117 -3.510 463 H LEU 58 HN LEU 58 2.250 -11.547 -3.661 464 HA LEU 58 HA LEU 58 1.720 -10.263 -6.308 465 HB2 LEU 58 HB2 LEU 58 2.352 -8.885 -3.694 466 HB3 LEU 58 HB1 LEU 58 1.655 -8.170 -5.147 467 HG LEU 58 HG LEU 58 0.344 -10.294 -3.428 468 HD11 LEU 58 HD11 LEU 58 -1.129 -8.562 -2.681 469 HD12 LEU 58 HD12 LEU 58 -0.481 -7.417 -3.856 470 HD13 LEU 58 HD13 LEU 58 0.509 -7.937 -2.491 471 HD21 LEU 58 HD21 LEU 58 -0.438 -8.913 -6.003 472 HD22 LEU 58 HD22 LEU 58 -1.658 -9.580 -4.920 473 HD23 LEU 58 HD23 LEU 58 -0.449 -10.640 -5.638 474 HA PRO 59 HA PRO 59 6.105 -10.075 -7.022 475 HB2 PRO 59 HB2 PRO 59 6.246 -7.935 -8.726 476 HB3 PRO 59 HB1 PRO 59 5.569 -9.506 -9.202 477 HG2 PRO 59 HG2 PRO 59 4.141 -7.029 -8.322 478 HG3 PRO 59 HG1 PRO 59 3.775 -8.116 -9.676 479 HD2 PRO 59 HD2 PRO 59 2.436 -8.269 -7.320 480 HD3 PRO 59 HD1 PRO 59 2.773 -9.708 -8.307 481 H LEU 60 HN LEU 60 8.023 -8.770 -6.632 482 HA LEU 60 HA LEU 60 7.803 -7.105 -4.275 483 HB2 LEU 60 HB2 LEU 60 10.153 -7.604 -6.123 484 HB3 LEU 60 HB1 LEU 60 10.257 -6.815 -4.550 485 HG LEU 60 HG LEU 60 9.267 -9.646 -5.026 486 HD11 LEU 60 HD11 LEU 60 11.727 -9.319 -5.375 487 HD12 LEU 60 HD12 LEU 60 11.360 -10.355 -3.996 488 HD13 LEU 60 HD13 LEU 60 11.834 -8.678 -3.736 489 HD21 LEU 60 HD21 LEU 60 8.179 -9.008 -3.056 490 HD22 LEU 60 HD22 LEU 60 9.452 -7.877 -2.597 491 HD23 LEU 60 HD23 LEU 60 9.700 -9.611 -2.405 492 H LEU 61 HN LEU 61 7.960 -4.904 -4.079 493 HA LEU 61 HA LEU 61 7.274 -3.317 -6.430 494 HB2 LEU 61 HB2 LEU 61 7.644 -2.708 -3.498 495 HB3 LEU 61 HB1 LEU 61 7.394 -1.418 -4.673 496 HG LEU 61 HG LEU 61 5.308 -2.603 -5.434 497 HD11 LEU 61 HD11 LEU 61 4.420 -4.261 -3.645 498 HD12 LEU 61 HD12 LEU 61 6.104 -4.413 -3.148 499 HD13 LEU 61 HD13 LEU 61 5.622 -4.854 -4.787 500 HD21 LEU 61 HD21 LEU 61 4.033 -2.090 -3.265 501 HD22 LEU 61 HD22 LEU 61 4.985 -0.774 -3.949 502 HD23 LEU 61 HD23 LEU 61 5.602 -1.684 -2.571 503 H GLU 62 HN GLU 62 8.489 -1.615 -7.318 504 HA GLU 62 HA GLU 62 11.439 -1.812 -6.864 505 HB2 GLU 62 HB2 GLU 62 9.812 -0.762 -9.196 506 HB3 GLU 62 HB1 GLU 62 11.574 -0.710 -9.115 507 HG2 GLU 62 HG2 GLU 62 9.910 -3.242 -8.934 508 HG3 GLU 62 HG1 GLU 62 10.736 -2.687 -10.389 509 H GLN 63 HN GLN 63 12.433 -0.172 -5.886 510 HA GLN 63 HA GLN 63 11.066 2.106 -4.845 511 HB2 GLN 63 HB2 GLN 63 13.109 1.156 -3.835 512 HB3 GLN 63 HB1 GLN 63 14.036 1.688 -5.237 513 HG2 GLN 63 HG2 GLN 63 13.537 4.021 -4.754 514 HG3 GLN 63 HG1 GLN 63 12.455 3.553 -3.444 515 HE21 GLN 63 HE21 GLN 63 14.741 5.255 -3.030 516 HE22 GLN 63 HE22 GLN 63 15.843 4.421 -2.045 517 H GLY 64 HN GLY 64 11.143 4.282 -5.394 518 HA2 GLY 64 HA2 GLY 64 11.552 6.184 -6.726 519 HA3 GLY 64 HA1 GLY 64 12.603 5.209 -7.752 520 H GLU 65 HN GLU 65 9.411 4.035 -7.058 521 HA GLU 65 HA GLU 65 8.402 5.056 -9.675 522 HB2 GLU 65 HB2 GLU 65 8.512 2.153 -8.835 523 HB3 GLU 65 HB1 GLU 65 7.535 2.748 -10.177 524 HG2 GLU 65 HG2 GLU 65 9.545 3.620 -11.280 525 HG3 GLU 65 HG1 GLU 65 10.536 3.087 -9.922 526 H SER 66 HN SER 66 6.201 5.304 -9.777 527 HA SER 66 HA SER 66 4.800 5.394 -7.213 528 HB2 SER 66 HB2 SER 66 2.943 6.339 -8.679 529 HB3 SER 66 HB1 SER 66 4.434 7.276 -8.610 530 HG SER 66 HG SER 66 5.033 6.418 -10.576 531 H TYR 67 HN TYR 67 2.869 4.252 -6.747 532 HA TYR 67 HA TYR 67 2.082 2.099 -8.642 533 HB2 TYR 67 HB2 TYR 67 3.008 1.683 -5.795 534 HB3 TYR 67 HB1 TYR 67 2.063 0.488 -6.683 535 HD1 TYR 67 HD2 TYR 67 2.944 -0.227 -9.008 536 HD2 TYR 67 HD1 TYR 67 5.351 1.754 -6.057 537 HE1 TYR 67 HE2 TYR 67 4.995 -1.037 -10.136 538 HE2 TYR 67 HE1 TYR 67 7.403 0.943 -7.185 539 HH TYR 67 HH TYR 67 8.069 -0.880 -8.695 540 H LEU 68 HN LEU 68 0.007 1.299 -8.299 541 HA LEU 68 HA LEU 68 -1.730 2.979 -6.531 542 HB2 LEU 68 HB2 LEU 68 -2.277 3.337 -8.854 543 HB3 LEU 68 HB1 LEU 68 -2.281 1.605 -9.177 544 HG LEU 68 HG LEU 68 -4.244 1.294 -7.784 545 HD11 LEU 68 HD11 LEU 68 -5.347 3.480 -6.895 546 HD12 LEU 68 HD12 LEU 68 -3.736 4.178 -7.057 547 HD13 LEU 68 HD13 LEU 68 -3.998 2.798 -5.989 548 HD21 LEU 68 HD21 LEU 68 -4.490 2.136 -10.161 549 HD22 LEU 68 HD22 LEU 68 -4.705 3.753 -9.490 550 HD23 LEU 68 HD23 LEU 68 -5.864 2.479 -9.110 551 H LEU 69 HN LEU 69 -2.532 1.885 -4.831 552 HA LEU 69 HA LEU 69 -2.528 -1.098 -4.880 553 HB2 LEU 69 HB2 LEU 69 -2.922 0.806 -2.558 554 HB3 LEU 69 HB1 LEU 69 -2.681 -0.936 -2.455 555 HG LEU 69 HG LEU 69 -0.687 1.061 -3.561 556 HD11 LEU 69 HD11 LEU 69 -0.759 1.270 -1.175 557 HD12 LEU 69 HD12 LEU 69 0.639 0.258 -1.539 558 HD13 LEU 69 HD13 LEU 69 -0.856 -0.477 -0.959 559 HD21 LEU 69 HD21 LEU 69 0.802 -1.089 -3.337 560 HD22 LEU 69 HD22 LEU 69 -0.249 -0.927 -4.738 561 HD23 LEU 69 HD23 LEU 69 -0.736 -1.953 -3.387 562 H ARG 70 HN ARG 70 -4.393 -2.212 -4.961 563 HA ARG 70 HA ARG 70 -6.953 -0.754 -4.393 564 HB2 ARG 70 HB2 ARG 70 -6.338 -2.690 -6.629 565 HB3 ARG 70 HB1 ARG 70 -7.970 -2.172 -6.203 566 HG2 ARG 70 HG2 ARG 70 -7.384 0.158 -6.630 567 HG3 ARG 70 HG1 ARG 70 -5.712 -0.298 -6.952 568 HD2 ARG 70 HD2 ARG 70 -6.925 0.006 -9.063 569 HD3 ARG 70 HD1 ARG 70 -6.473 -1.686 -8.861 570 HE ARG 70 HE ARG 70 -9.096 -1.246 -7.781 571 HH11 ARG 70 HH21 ARG 70 -7.326 -1.468 -10.732 572 HH12 ARG 70 HH22 ARG 70 -8.681 -2.031 -11.651 573 HH21 ARG 70 HH11 ARG 70 -10.865 -1.978 -8.964 574 HH22 ARG 70 HH12 ARG 70 -10.683 -2.320 -10.651 575 H SER 71 HN SER 71 -8.531 -1.899 -3.340 576 HA SER 71 HA SER 71 -9.422 -3.499 -1.906 577 HB2 SER 71 HB2 SER 71 -7.861 -5.591 -3.411 578 HB3 SER 71 HB1 SER 71 -9.456 -5.722 -2.675 579 HG SER 71 HG SER 71 -8.736 -4.130 -4.916 580 H VAL 72 HN VAL 72 -7.513 -2.272 -0.606 581 HA VAL 72 HA VAL 72 -5.820 -4.431 0.627 582 HB VAL 72 HB VAL 72 -4.293 -2.568 1.323 583 HG11 VAL 72 HG11 VAL 72 -3.175 -2.462 -0.783 584 HG12 VAL 72 HG12 VAL 72 -4.683 -2.668 -1.674 585 HG13 VAL 72 HG13 VAL 72 -4.006 -4.013 -0.757 586 HG21 VAL 72 HG21 VAL 72 -5.802 -0.919 -0.720 587 HG22 VAL 72 HG22 VAL 72 -4.524 -0.387 0.371 588 HG23 VAL 72 HG23 VAL 72 -6.114 -0.791 1.011 589 H VAL 73 HN VAL 73 -5.352 -4.041 2.944 590 HA VAL 73 HA VAL 73 -7.672 -2.743 4.333 591 HB VAL 73 HB VAL 73 -7.677 -5.244 4.414 592 HG11 VAL 73 HG11 VAL 73 -5.973 -6.449 5.556 593 HG12 VAL 73 HG12 VAL 73 -5.233 -4.972 6.175 594 HG13 VAL 73 HG13 VAL 73 -5.114 -5.368 4.460 595 HG21 VAL 73 HG21 VAL 73 -7.118 -3.910 7.075 596 HG22 VAL 73 HG22 VAL 73 -8.090 -5.357 6.805 597 HG23 VAL 73 HG23 VAL 73 -8.647 -3.795 6.204 598 H VAL 74 HN VAL 74 -7.180 -1.341 5.941 599 HA VAL 74 HA VAL 74 -4.386 -0.543 6.243 600 HB VAL 74 HB VAL 74 -6.902 0.470 7.582 601 HG11 VAL 74 HG11 VAL 74 -5.053 1.139 8.929 602 HG12 VAL 74 HG12 VAL 74 -5.406 2.525 7.898 603 HG13 VAL 74 HG13 VAL 74 -4.048 1.465 7.517 604 HG21 VAL 74 HG21 VAL 74 -5.327 1.725 5.322 605 HG22 VAL 74 HG22 VAL 74 -6.941 2.156 5.889 606 HG23 VAL 74 HG23 VAL 74 -6.686 0.638 5.030 607 H GLY 75 HN GLY 75 -3.085 -1.592 7.607 608 HA2 GLY 75 HA2 GLY 75 -4.162 -3.152 9.852 609 HA3 GLY 75 HA1 GLY 75 -2.473 -3.075 9.353 610 H GLU 76 HN GLU 76 -3.064 -2.908 12.034 611 HA GLU 76 HA GLU 76 -2.839 0.001 12.708 612 HB2 GLU 76 HB2 GLU 76 -4.638 -1.267 13.849 613 HB3 GLU 76 HB1 GLU 76 -3.424 -2.359 14.518 614 HG2 GLU 76 HG2 GLU 76 -2.347 -0.504 15.689 615 HG3 GLU 76 HG1 GLU 76 -3.468 0.642 14.954 616 H TYR 77 HN TYR 77 -0.875 0.744 13.203 617 HA TYR 77 HA TYR 77 1.213 -1.176 14.179 618 HB2 TYR 77 HB2 TYR 77 1.544 -0.255 11.848 619 HB3 TYR 77 HB1 TYR 77 1.685 1.347 12.574 620 HD1 TYR 77 HD1 TYR 77 3.200 -2.022 12.355 621 HD2 TYR 77 HD2 TYR 77 3.638 1.987 13.833 622 HE1 TYR 77 HE1 TYR 77 5.577 -2.482 12.893 623 HE2 TYR 77 HE2 TYR 77 6.015 1.528 14.369 624 HH TYR 77 HH TYR 77 7.727 -0.970 13.149 625 H ASN 78 HN ASN 78 0.474 -0.670 16.321 626 HA ASN 78 HA ASN 78 0.364 0.562 18.317 627 HB2 ASN 78 HB2 ASN 78 2.768 0.036 18.082 628 HB3 ASN 78 HB1 ASN 78 3.005 1.561 17.226 629 HD21 ASN 78 HD21 ASN 78 4.448 2.294 19.004 630 HD22 ASN 78 HD22 ASN 78 3.784 2.816 20.477 631 H ASP 79 HN ASP 79 2.269 3.206 17.772 632 HA ASP 79 HA ASP 79 0.071 5.051 18.050 633 HB2 ASP 79 HB2 ASP 79 2.473 5.354 18.871 634 HB3 ASP 79 HB1 ASP 79 2.885 5.747 17.203 635 H ARG 80 HN ARG 80 2.043 3.989 15.328 636 HA ARG 80 HA ARG 80 0.574 5.855 13.515 637 HB2 ARG 80 HB2 ARG 80 3.048 4.167 13.137 638 HB3 ARG 80 HB1 ARG 80 2.274 5.063 11.831 639 HG2 ARG 80 HG2 ARG 80 2.563 7.162 13.082 640 HG3 ARG 80 HG1 ARG 80 3.317 6.274 14.408 641 HD2 ARG 80 HD2 ARG 80 5.115 5.533 12.896 642 HD3 ARG 80 HD1 ARG 80 4.358 6.402 11.564 643 HE ARG 80 HE ARG 80 5.117 8.454 12.506 644 HH11 ARG 80 HH21 ARG 80 5.621 5.750 14.591 645 HH12 ARG 80 HH22 ARG 80 6.660 6.614 15.671 646 HH21 ARG 80 HH11 ARG 80 6.468 9.587 13.902 647 HH22 ARG 80 HH12 ARG 80 7.141 8.786 15.282 648 H PHE 81 HN PHE 81 0.574 4.544 11.171 649 HA PHE 81 HA PHE 81 -0.938 2.000 11.670 650 HB2 PHE 81 HB2 PHE 81 -1.611 4.273 9.792 651 HB3 PHE 81 HB1 PHE 81 -2.428 2.708 9.791 652 HD1 PHE 81 HD2 PHE 81 -3.729 1.967 11.764 653 HD2 PHE 81 HD1 PHE 81 -2.005 5.894 11.535 654 HE1 PHE 81 HE2 PHE 81 -5.172 2.709 13.639 655 HE2 PHE 81 HE1 PHE 81 -3.448 6.638 13.412 656 HZ PHE 81 HZ PHE 81 -5.032 5.044 14.463 657 H GLN 82 HN GLN 82 -0.786 0.442 10.043 658 HA GLN 82 HA GLN 82 1.226 0.931 7.883 659 HB2 GLN 82 HB2 GLN 82 2.378 -0.250 9.666 660 HB3 GLN 82 HB1 GLN 82 1.078 -1.436 9.771 661 HG2 GLN 82 HG2 GLN 82 1.569 -2.248 7.535 662 HG3 GLN 82 HG1 GLN 82 2.754 -0.965 7.290 663 HE21 GLN 82 HE21 GLN 82 2.578 -4.186 7.992 664 HE22 GLN 82 HE22 GLN 82 4.003 -4.362 8.896 665 H VAL 83 HN VAL 83 0.421 0.371 5.946 666 HA VAL 83 HA VAL 83 -2.156 -1.001 5.775 667 HB VAL 83 HB VAL 83 -1.938 -0.609 3.347 668 HG11 VAL 83 HG11 VAL 83 -1.108 1.807 4.977 669 HG12 VAL 83 HG12 VAL 83 -2.753 1.177 4.894 670 HG13 VAL 83 HG13 VAL 83 -1.981 1.818 3.445 671 HG21 VAL 83 HG21 VAL 83 0.058 0.685 2.552 672 HG22 VAL 83 HG22 VAL 83 0.466 -0.945 3.084 673 HG23 VAL 83 HG23 VAL 83 0.807 0.433 4.129 674 H GLN 84 HN GLN 84 -2.508 -3.074 5.019 675 HA GLN 84 HA GLN 84 -0.069 -4.787 4.674 676 HB2 GLN 84 HB2 GLN 84 -2.853 -5.444 5.667 677 HB3 GLN 84 HB1 GLN 84 -1.600 -6.651 5.368 678 HG2 GLN 84 HG2 GLN 84 -0.126 -5.564 6.993 679 HG3 GLN 84 HG1 GLN 84 -1.325 -4.298 7.262 680 HE21 GLN 84 HE21 GLN 84 -0.933 -5.347 9.586 681 HE22 GLN 84 HE22 GLN 84 -2.011 -6.588 10.007 682 H VAL 85 HN VAL 85 0.265 -5.453 2.655 683 HA VAL 85 HA VAL 85 -1.950 -5.373 0.684 684 HB VAL 85 HB VAL 85 0.937 -6.101 0.166 685 HG11 VAL 85 HG11 VAL 85 -0.975 -6.381 -1.559 686 HG12 VAL 85 HG12 VAL 85 0.462 -5.500 -2.076 687 HG13 VAL 85 HG13 VAL 85 -0.997 -4.620 -1.622 688 HG21 VAL 85 HG21 VAL 85 0.954 -3.977 1.376 689 HG22 VAL 85 HG22 VAL 85 -0.323 -3.343 0.339 690 HG23 VAL 85 HG23 VAL 85 1.276 -3.668 -0.330 691 H ASN 86 HN ASN 86 -3.177 -7.200 1.062 692 HA ASN 86 HA ASN 86 -1.922 -9.793 0.417 693 HB2 ASN 86 HB2 ASN 86 -3.055 -10.863 2.415 694 HB3 ASN 86 HB1 ASN 86 -1.681 -9.837 2.813 695 HD21 ASN 86 HD21 ASN 86 -4.607 -8.187 1.825 696 HD22 ASN 86 HD22 ASN 86 -5.071 -7.680 3.376 697 H LYS 87 HN LYS 87 -3.894 -11.492 0.701 698 HA LYS 87 HA LYS 87 -5.956 -12.195 -0.104 699 HB2 LYS 87 HB2 LYS 87 -6.694 -10.208 1.439 700 HB3 LYS 87 HB1 LYS 87 -6.956 -9.347 -0.076 701 HG2 LYS 87 HG2 LYS 87 -9.055 -10.315 0.201 702 HG3 LYS 87 HG1 LYS 87 -8.257 -11.572 -0.744 703 HD2 LYS 87 HD2 LYS 87 -7.665 -12.752 1.358 704 HD3 LYS 87 HD1 LYS 87 -8.513 -11.511 2.277 705 HE2 LYS 87 HE2 LYS 87 -9.796 -13.244 0.148 706 HE3 LYS 87 HE1 LYS 87 -9.906 -13.543 1.882 707 HZ1 LYS 87 HZ1 LYS 87 -11.635 -12.181 1.889 708 HZ2 LYS 87 HZ2 LYS 87 -11.360 -11.699 0.282 709 HZ3 LYS 87 HZ3 LYS 87 -10.572 -10.901 1.559 710 H ASN 88 HN ASN 88 -7.605 -10.112 -1.695 711 HA ASN 88 HA ASN 88 -6.428 -10.812 -4.300 712 HB2 ASN 88 HB2 ASN 88 -8.983 -9.393 -3.489 713 HB3 ASN 88 HB1 ASN 88 -8.533 -9.702 -5.166 714 HD21 ASN 88 HD21 ASN 88 -7.301 -12.349 -4.584 715 HD22 ASN 88 HD22 ASN 88 -8.585 -13.403 -4.240 716 H SER 89 HN SER 89 -5.229 -8.746 -2.380 717 HA SER 89 HA SER 89 -5.587 -6.126 -3.410 718 HB2 SER 89 HB2 SER 89 -4.355 -6.512 -1.350 719 HB3 SER 89 HB1 SER 89 -3.131 -7.431 -2.217 720 HG SER 89 HG SER 89 -3.761 -4.676 -2.488 721 H SER 90 HN SER 90 -4.646 -5.024 -5.118 722 HA SER 90 HA SER 90 -2.867 -6.594 -6.963 723 HB2 SER 90 HB2 SER 90 -5.195 -4.782 -7.637 724 HB3 SER 90 HB1 SER 90 -4.037 -5.374 -8.825 725 HG SER 90 HG SER 90 -5.389 -7.000 -8.894 726 H ILE 91 HN ILE 91 -1.353 -5.329 -8.129 727 HA ILE 91 HA ILE 91 -0.971 -2.524 -7.140 728 HB ILE 91 HB ILE 91 1.143 -4.650 -7.584 729 HG12 ILE 91 HG12 ILE 91 0.360 -3.159 -5.065 730 HG13 ILE 91 HG11 ILE 91 -0.246 -4.763 -5.466 731 HG21 ILE 91 HG21 ILE 91 1.281 -1.694 -6.960 732 HG22 ILE 91 HG22 ILE 91 2.066 -2.560 -8.280 733 HG23 ILE 91 HG23 ILE 91 2.620 -2.789 -6.621 734 HD11 ILE 91 HD11 ILE 91 1.778 -4.741 -3.943 735 HD12 ILE 91 HD12 ILE 91 2.703 -4.102 -5.302 736 HD13 ILE 91 HD13 ILE 91 1.966 -5.700 -5.411 737 H GLU 92 HN GLU 92 -0.684 -1.070 -8.740 738 HA GLU 92 HA GLU 92 0.113 -2.052 -11.457 739 HB2 GLU 92 HB2 GLU 92 -2.337 -1.697 -11.380 740 HB3 GLU 92 HB1 GLU 92 -2.067 -0.036 -10.851 741 HG2 GLU 92 HG2 GLU 92 -0.865 0.464 -12.920 742 HG3 GLU 92 HG1 GLU 92 -1.020 -1.214 -13.441 743 H LYS 93 HN LYS 93 1.706 -0.860 -12.345 744 HA LYS 93 HA LYS 93 2.818 1.361 -10.817 745 HB2 LYS 93 HB2 LYS 93 4.086 -0.452 -12.199 746 HB3 LYS 93 HB1 LYS 93 3.729 0.578 -13.582 747 HG2 LYS 93 HG2 LYS 93 4.860 2.464 -12.528 748 HG3 LYS 93 HG1 LYS 93 5.116 1.528 -11.055 749 HD2 LYS 93 HD2 LYS 93 7.164 1.519 -12.365 750 HD3 LYS 93 HD1 LYS 93 6.470 -0.101 -12.364 751 HE2 LYS 93 HE2 LYS 93 5.721 1.779 -14.589 752 HE3 LYS 93 HE1 LYS 93 7.297 0.989 -14.631 753 HZ1 LYS 93 HZ1 LYS 93 5.025 -0.703 -13.988 754 HZ2 LYS 93 HZ2 LYS 93 6.391 -1.028 -14.943 755 HZ3 LYS 93 HZ3 LYS 93 5.098 -0.130 -15.583 756 H LEU 94 HN LEU 94 2.673 3.505 -11.269 757 HA LEU 94 HA LEU 94 0.792 4.309 -13.436 758 HB2 LEU 94 HB2 LEU 94 1.945 5.932 -11.152 759 HB3 LEU 94 HB1 LEU 94 0.625 6.417 -12.217 760 HG LEU 94 HG LEU 94 0.598 4.026 -10.348 761 HD11 LEU 94 HD11 LEU 94 -0.877 5.281 -8.957 762 HD12 LEU 94 HD12 LEU 94 -1.063 6.546 -10.171 763 HD13 LEU 94 HD13 LEU 94 0.470 6.360 -9.319 764 HD21 LEU 94 HD21 LEU 94 -1.952 4.238 -11.000 765 HD22 LEU 94 HD22 LEU 94 -0.846 3.405 -12.087 766 HD23 LEU 94 HD23 LEU 94 -1.325 5.069 -12.423 767 H SER 95 HN SER 95 1.479 5.393 -15.197 768 HA SER 95 HA SER 95 4.331 5.733 -15.670 769 HB2 SER 95 HB2 SER 95 2.883 5.117 -17.522 770 HB3 SER 95 HB1 SER 95 1.881 6.540 -17.259 771 HG SER 95 HG SER 95 4.568 6.402 -18.146 772 H GLU 96 HN GLU 96 2.307 7.467 -13.812 773 HA GLU 96 HA GLU 96 3.592 10.100 -14.492 774 HB2 GLU 96 HB2 GLU 96 1.079 9.978 -14.741 775 HB3 GLU 96 HB1 GLU 96 0.991 9.688 -13.002 776 HG2 GLU 96 HG2 GLU 96 2.144 11.804 -12.561 777 HG3 GLU 96 HG1 GLU 96 2.325 12.087 -14.292 778 HA PRO 97 HA PRO 97 5.425 8.666 -10.474 779 HB2 PRO 97 HB2 PRO 97 7.310 10.864 -11.244 780 HB3 PRO 97 HB1 PRO 97 7.668 9.221 -10.672 781 HG2 PRO 97 HG2 PRO 97 7.971 9.858 -13.231 782 HG3 PRO 97 HG1 PRO 97 7.319 8.278 -12.756 783 HD2 PRO 97 HD2 PRO 97 5.851 10.673 -13.821 784 HD3 PRO 97 HD1 PRO 97 5.583 8.945 -14.145 785 H ILE 98 HN ILE 98 5.342 9.645 -8.429 786 HA ILE 98 HA ILE 98 3.887 12.235 -8.327 787 HB ILE 98 HB ILE 98 4.410 10.147 -6.198 788 HG12 ILE 98 HG12 ILE 98 1.854 10.840 -7.677 789 HG13 ILE 98 HG11 ILE 98 2.913 9.508 -8.137 790 HG21 ILE 98 HG21 ILE 98 4.108 12.333 -5.183 791 HG22 ILE 98 HG22 ILE 98 2.617 11.413 -4.976 792 HG23 ILE 98 HG23 ILE 98 2.718 12.663 -6.217 793 HD11 ILE 98 HD11 ILE 98 1.521 9.840 -5.463 794 HD12 ILE 98 HD12 ILE 98 2.638 8.536 -5.865 795 HD13 ILE 98 HD13 ILE 98 1.101 8.674 -6.718 796 H GLU 99 HN GLU 99 4.925 14.048 -7.789 797 HA GLU 99 HA GLU 99 7.729 13.922 -6.871 798 HB2 GLU 99 HB2 GLU 99 7.070 15.440 -8.720 799 HB3 GLU 99 HB1 GLU 99 5.992 16.293 -7.615 800 HG2 GLU 99 HG2 GLU 99 7.885 16.926 -6.203 801 HG3 GLU 99 HG1 GLU 99 8.985 16.004 -7.228 802 H VAL 100 HN VAL 100 8.237 14.104 -4.762 803 HA VAL 100 HA VAL 100 6.219 15.225 -2.852 804 HB VAL 100 HB VAL 100 8.621 13.445 -2.350 805 HG11 VAL 100 HG11 VAL 100 8.221 14.705 -0.375 806 HG12 VAL 100 HG12 VAL 100 7.392 13.171 -0.107 807 HG13 VAL 100 HG13 VAL 100 6.471 14.603 -0.569 808 HG21 VAL 100 HG21 VAL 100 6.742 12.349 -3.594 809 HG22 VAL 100 HG22 VAL 100 5.660 12.783 -2.272 810 HG23 VAL 100 HG23 VAL 100 6.993 11.665 -1.988 811 H GLY 101 HN GLY 101 9.229 15.814 -4.365 812 HA2 GLY 101 HA2 GLY 101 10.422 17.413 -2.242 813 HA3 GLY 101 HA1 GLY 101 10.954 17.373 -3.924 814 H LEU 102 HN LEU 102 7.941 18.370 -2.266 815 HA LEU 102 HA LEU 102 7.724 20.692 -4.085 816 HB2 LEU 102 HB2 LEU 102 5.934 19.808 -1.798 817 HB3 LEU 102 HB1 LEU 102 5.537 21.027 -3.008 818 HG LEU 102 HG LEU 102 6.086 18.093 -3.567 819 HD11 LEU 102 HD11 LEU 102 3.890 18.702 -2.413 820 HD12 LEU 102 HD12 LEU 102 3.739 17.855 -3.952 821 HD13 LEU 102 HD13 LEU 102 3.477 19.597 -3.876 822 HD21 LEU 102 HD21 LEU 102 6.744 19.185 -5.540 823 HD22 LEU 102 HD22 LEU 102 5.568 20.483 -5.333 824 HD23 LEU 102 HD23 LEU 102 5.037 18.883 -5.853 825 H GLU 103 HN GLU 103 9.360 20.015 -1.292 826 HA GLU 103 HA GLU 103 8.846 22.199 0.433 827 HB2 GLU 103 HB2 GLU 103 11.425 20.714 -0.119 828 HB3 GLU 103 HB1 GLU 103 11.227 21.876 1.195 829 HG2 GLU 103 HG2 GLU 103 9.394 20.543 2.129 830 HG3 GLU 103 HG1 GLU 103 9.522 19.401 0.794 831 H HIS 104 HN HIS 104 9.444 24.322 0.427 832 HA HIS 104 HA HIS 104 11.431 25.292 -1.554 833 HB2 HIS 104 HB2 HIS 104 9.135 25.384 -2.610 834 HB3 HIS 104 HB1 HIS 104 8.671 26.517 -1.340 835 HD1 HIS 104 HD1 HIS 104 9.879 28.850 -1.319 836 HD2 HIS 104 HD2 HIS 104 10.829 26.458 -4.597 837 HE1 HIS 104 HE1 HIS 104 11.035 30.357 -2.995 838 H HIS 105 HN HIS 105 12.439 27.203 -0.867 839 HA HIS 105 HA HIS 105 11.734 28.118 1.904 840 HB2 HIS 105 HB2 HIS 105 14.399 28.182 0.470 841 HB3 HIS 105 HB1 HIS 105 14.107 28.688 2.135 842 HD1 HIS 105 HD1 HIS 105 13.161 26.733 3.762 843 HD2 HIS 105 HD2 HIS 105 14.900 25.462 0.194 844 HE1 HIS 105 HE1 HIS 105 13.654 24.267 4.047 845 H HIS 106 HN HIS 106 13.338 30.368 1.958 846 HA HIS 106 HA HIS 106 11.635 32.300 0.680 847 HB2 HIS 106 HB2 HIS 106 13.171 33.962 1.633 848 HB3 HIS 106 HB1 HIS 106 12.771 32.724 2.822 849 HD1 HIS 106 HD1 HIS 106 14.641 30.997 3.438 850 HD2 HIS 106 HD2 HIS 106 15.887 34.002 0.831 851 HE1 HIS 106 HE1 HIS 106 17.173 30.909 3.400 852 H HIS 107 HN HIS 107 11.931 33.514 -1.139 853 HA HIS 107 HA HIS 107 13.662 32.527 -3.217 854 HB2 HIS 107 HB2 HIS 107 12.104 35.113 -2.947 855 HB3 HIS 107 HB1 HIS 107 12.896 34.588 -4.432 856 HD1 HIS 107 HD1 HIS 107 9.963 33.864 -2.218 857 HD2 HIS 107 HD2 HIS 107 11.646 32.356 -5.721 858 HE1 HIS 107 HE1 HIS 107 8.251 32.283 -3.213 859 H HIS 108 HN HIS 108 13.812 35.359 -1.062 860 HA HIS 108 HA HIS 108 16.734 35.433 -1.397 861 HB2 HIS 108 HB2 HIS 108 16.781 37.806 -2.086 862 HB3 HIS 108 HB1 HIS 108 15.990 36.800 -3.300 863 HD1 HIS 108 HD1 HIS 108 14.600 38.348 -0.090 864 HD2 HIS 108 HD2 HIS 108 13.879 38.328 -4.196 865 HE1 HIS 108 HE1 HIS 108 12.504 39.724 -0.457 866 H HIS 109 HN HIS 109 17.704 37.104 0.072 867 HA HIS 109 HA HIS 109 16.452 36.986 2.682 868 HB2 HIS 109 HB2 HIS 109 18.893 36.958 2.411 869 HB3 HIS 109 HB1 HIS 109 18.841 38.567 1.692 870 HD1 HIS 109 HD1 HIS 109 18.260 40.571 3.273 871 HD2 HIS 109 HD2 HIS 109 18.633 36.907 5.227 872 HE1 HIS 109 HE1 HIS 109 18.390 41.089 5.749 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -9.167 8.191 -8.936 2 H2 MET 1 HT2 MET 1 -8.276 9.173 -9.997 3 H3 MET 1 HT3 MET 1 -9.001 7.746 -10.565 4 HA MET 1 HA MET 1 -10.380 10.210 -9.649 5 HB2 MET 1 HB2 MET 1 -10.107 8.793 -12.317 6 HB3 MET 1 HB1 MET 1 -11.288 10.067 -12.017 7 HG2 MET 1 HG2 MET 1 -9.498 11.638 -11.451 8 HG3 MET 1 HG1 MET 1 -8.294 10.367 -11.643 9 HE1 MET 1 HE1 MET 1 -11.093 12.286 -13.007 10 HE2 MET 1 HE2 MET 1 -11.508 11.077 -14.218 11 HE3 MET 1 HE3 MET 1 -10.758 12.590 -14.716 12 H GLU 2 HN GLU 2 -10.781 6.930 -10.973 13 HA GLU 2 HA GLU 2 -13.601 6.859 -10.102 14 HB2 GLU 2 HB2 GLU 2 -12.227 5.667 -12.218 15 HB3 GLU 2 HB1 GLU 2 -12.402 4.317 -11.100 16 HG2 GLU 2 HG2 GLU 2 -14.843 4.871 -10.906 17 HG3 GLU 2 HG1 GLU 2 -14.626 6.068 -12.182 18 HA PRO 3 HA PRO 3 -11.442 3.395 -7.400 19 HB2 PRO 3 HB2 PRO 3 -8.771 4.645 -6.977 20 HB3 PRO 3 HB1 PRO 3 -9.180 2.955 -7.332 21 HG2 PRO 3 HG2 PRO 3 -8.056 4.556 -9.163 22 HG3 PRO 3 HG1 PRO 3 -9.235 3.308 -9.608 23 HD2 PRO 3 HD2 PRO 3 -9.628 6.270 -9.361 24 HD3 PRO 3 HD1 PRO 3 -10.309 5.140 -10.550 25 H GLN 4 HN GLN 4 -11.618 3.460 -5.181 26 HA GLN 4 HA GLN 4 -12.360 6.005 -4.000 27 HB2 GLN 4 HB2 GLN 4 -12.563 4.539 -1.889 28 HB3 GLN 4 HB1 GLN 4 -13.616 4.143 -3.245 29 HG2 GLN 4 HG2 GLN 4 -12.120 2.347 -3.948 30 HG3 GLN 4 HG1 GLN 4 -10.953 2.791 -2.705 31 HE21 GLN 4 HE21 GLN 4 -13.558 3.351 -0.968 32 HE22 GLN 4 HE22 GLN 4 -13.934 1.805 -0.378 33 H LEU 5 HN LEU 5 -10.190 6.927 -4.478 34 HA LEU 5 HA LEU 5 -7.847 6.142 -3.029 35 HB2 LEU 5 HB2 LEU 5 -8.712 8.773 -4.273 36 HB3 LEU 5 HB1 LEU 5 -7.132 8.557 -3.522 37 HG LEU 5 HG LEU 5 -8.045 6.583 -5.615 38 HD11 LEU 5 HD11 LEU 5 -6.815 9.307 -6.161 39 HD12 LEU 5 HD12 LEU 5 -8.415 8.759 -6.667 40 HD13 LEU 5 HD13 LEU 5 -6.970 8.011 -7.349 41 HD21 LEU 5 HD21 LEU 5 -5.286 7.730 -5.131 42 HD22 LEU 5 HD22 LEU 5 -5.719 6.195 -5.883 43 HD23 LEU 5 HD23 LEU 5 -5.904 6.407 -4.149 44 H THR 6 HN THR 6 -7.153 6.662 -1.042 45 HA THR 6 HA THR 6 -8.806 8.532 0.620 46 HB THR 6 HB THR 6 -7.623 5.882 1.507 47 HG1 THR 6 HG1 THR 6 -9.473 5.603 0.269 48 HG21 THR 6 HG21 THR 6 -7.580 7.464 3.322 49 HG22 THR 6 HG22 THR 6 -8.977 6.419 3.577 50 HG23 THR 6 HG23 THR 6 -9.198 8.042 2.925 51 H LYS 7 HN LYS 7 -7.692 9.952 1.774 52 HA LYS 7 HA LYS 7 -4.856 10.301 1.304 53 HB2 LYS 7 HB2 LYS 7 -6.760 11.723 3.197 54 HB3 LYS 7 HB1 LYS 7 -5.099 12.222 2.880 55 HG2 LYS 7 HG2 LYS 7 -5.630 12.493 0.484 56 HG3 LYS 7 HG1 LYS 7 -7.297 12.008 0.801 57 HD2 LYS 7 HD2 LYS 7 -7.600 13.938 2.289 58 HD3 LYS 7 HD1 LYS 7 -5.918 14.409 2.048 59 HE2 LYS 7 HE2 LYS 7 -7.357 15.750 0.594 60 HE3 LYS 7 HE1 LYS 7 -6.374 14.667 -0.390 61 HZ1 LYS 7 HZ1 LYS 7 -9.109 14.881 -0.422 62 HZ2 LYS 7 HZ2 LYS 7 -8.808 13.428 0.407 63 HZ3 LYS 7 HZ3 LYS 7 -8.181 13.665 -1.155 64 H ILE 8 HN ILE 8 -3.201 10.225 2.838 65 HA ILE 8 HA ILE 8 -3.215 7.991 4.603 66 HB ILE 8 HB ILE 8 -1.335 10.367 4.391 67 HG12 ILE 8 HG12 ILE 8 -0.965 7.484 3.509 68 HG13 ILE 8 HG11 ILE 8 -1.558 8.752 2.437 69 HG21 ILE 8 HG21 ILE 8 0.240 8.734 5.625 70 HG22 ILE 8 HG22 ILE 8 -1.226 7.869 6.088 71 HG23 ILE 8 HG23 ILE 8 -0.997 9.546 6.586 72 HD11 ILE 8 HD11 ILE 8 0.813 8.593 2.075 73 HD12 ILE 8 HD12 ILE 8 1.140 8.617 3.808 74 HD13 ILE 8 HD13 ILE 8 0.540 10.068 3.003 75 H VAL 9 HN VAL 9 -3.478 11.468 5.179 76 HA VAL 9 HA VAL 9 -3.550 11.361 8.037 77 HB VAL 9 HB VAL 9 -3.125 13.406 6.615 78 HG11 VAL 9 HG11 VAL 9 -6.131 13.582 6.387 79 HG12 VAL 9 HG12 VAL 9 -5.139 12.887 5.110 80 HG13 VAL 9 HG13 VAL 9 -4.914 14.570 5.580 81 HG21 VAL 9 HG21 VAL 9 -5.333 13.576 8.687 82 HG22 VAL 9 HG22 VAL 9 -4.370 14.943 8.126 83 HG23 VAL 9 HG23 VAL 9 -3.599 13.622 9.004 84 H ASP 10 HN ASP 10 -5.930 10.738 5.580 85 HA ASP 10 HA ASP 10 -8.259 11.042 7.324 86 HB2 ASP 10 HB2 ASP 10 -8.375 11.336 4.850 87 HB3 ASP 10 HB1 ASP 10 -8.005 9.623 4.647 88 H ILE 11 HN ILE 11 -5.828 8.749 7.079 89 HA ILE 11 HA ILE 11 -7.513 6.399 7.661 90 HB ILE 11 HB ILE 11 -4.497 6.757 7.579 91 HG12 ILE 11 HG12 ILE 11 -6.382 5.324 5.678 92 HG13 ILE 11 HG11 ILE 11 -5.777 6.957 5.410 93 HG21 ILE 11 HG21 ILE 11 -4.554 4.216 7.535 94 HG22 ILE 11 HG22 ILE 11 -6.247 4.323 8.012 95 HG23 ILE 11 HG23 ILE 11 -4.989 4.942 9.082 96 HD11 ILE 11 HD11 ILE 11 -4.301 5.548 4.189 97 HD12 ILE 11 HD12 ILE 11 -4.204 4.380 5.506 98 HD13 ILE 11 HD13 ILE 11 -3.424 5.950 5.664 99 H VAL 12 HN VAL 12 -8.327 6.202 9.625 100 HA VAL 12 HA VAL 12 -6.587 6.492 12.000 101 HB VAL 12 HB VAL 12 -8.195 7.929 13.172 102 HG11 VAL 12 HG11 VAL 12 -7.660 9.988 12.054 103 HG12 VAL 12 HG12 VAL 12 -7.505 9.177 10.499 104 HG13 VAL 12 HG13 VAL 12 -6.313 8.889 11.766 105 HG21 VAL 12 HG21 VAL 12 -10.288 7.427 12.173 106 HG22 VAL 12 HG22 VAL 12 -9.685 7.741 10.546 107 HG23 VAL 12 HG23 VAL 12 -9.952 9.080 11.663 108 H GLU 13 HN GLU 13 -8.478 4.575 10.318 109 HA GLU 13 HA GLU 13 -9.785 3.345 12.733 110 HB2 GLU 13 HB2 GLU 13 -10.804 3.502 9.883 111 HB3 GLU 13 HB1 GLU 13 -11.508 2.472 11.131 112 HG2 GLU 13 HG2 GLU 13 -11.925 4.452 12.542 113 HG3 GLU 13 HG1 GLU 13 -11.221 5.485 11.301 114 H ASN 14 HN ASN 14 -9.418 1.248 13.058 115 HA ASN 14 HA ASN 14 -7.385 -0.095 11.419 116 HB2 ASN 14 HB2 ASN 14 -7.391 -1.789 13.168 117 HB3 ASN 14 HB1 ASN 14 -7.355 -0.198 13.919 118 HD21 ASN 14 HD21 ASN 14 -8.290 -2.403 15.410 119 HD22 ASN 14 HD22 ASN 14 -9.964 -2.249 15.656 120 H GLY 15 HN GLY 15 -7.714 -1.845 10.148 121 HA2 GLY 15 HA2 GLY 15 -8.832 -3.545 8.977 122 HA3 GLY 15 HA1 GLY 15 -10.191 -3.365 10.086 123 H GLN 16 HN GLN 16 -9.043 -0.490 8.573 124 HA GLN 16 HA GLN 16 -11.592 -0.135 7.195 125 HB2 GLN 16 HB2 GLN 16 -10.378 1.747 8.306 126 HB3 GLN 16 HB1 GLN 16 -9.103 1.603 7.094 127 HG2 GLN 16 HG2 GLN 16 -10.775 2.023 5.308 128 HG3 GLN 16 HG1 GLN 16 -12.024 2.208 6.539 129 HE21 GLN 16 HE21 GLN 16 -12.466 4.443 6.456 130 HE22 GLN 16 HE22 GLN 16 -11.290 5.653 6.645 131 H TRP 17 HN TRP 17 -12.015 -0.430 5.106 132 HA TRP 17 HA TRP 17 -9.817 -1.416 3.337 133 HB2 TRP 17 HB2 TRP 17 -12.819 -1.835 3.241 134 HB3 TRP 17 HB1 TRP 17 -11.702 -2.381 1.988 135 HD1 TRP 17 HD1 TRP 17 -12.582 -2.963 5.672 136 HE1 TRP 17 HE1 TRP 17 -11.639 -5.252 6.389 137 HE3 TRP 17 HE3 TRP 17 -9.955 -4.196 1.466 138 HZ2 TRP 17 HZ2 TRP 17 -9.992 -7.330 5.323 139 HZ3 TRP 17 HZ3 TRP 17 -8.711 -6.337 1.346 140 HH2 TRP 17 HH2 TRP 17 -8.727 -7.904 3.267 141 H ALA 18 HN ALA 18 -9.245 -0.257 1.620 142 HA ALA 18 HA ALA 18 -10.988 1.316 0.004 143 HB1 ALA 18 HB1 ALA 18 -10.008 3.593 0.658 144 HB2 ALA 18 HB2 ALA 18 -9.491 2.814 2.155 145 HB3 ALA 18 HB3 ALA 18 -11.205 2.905 1.750 146 H ASN 19 HN ASN 19 -9.628 2.939 -1.358 147 HA ASN 19 HA ASN 19 -7.112 1.535 -2.155 148 HB2 ASN 19 HB2 ASN 19 -8.902 1.812 -3.866 149 HB3 ASN 19 HB1 ASN 19 -8.772 3.562 -3.694 150 HD21 ASN 19 HD21 ASN 19 -6.510 4.498 -4.186 151 HD22 ASN 19 HD22 ASN 19 -5.573 3.716 -5.368 152 H LEU 20 HN LEU 20 -5.230 2.694 -2.539 153 HA LEU 20 HA LEU 20 -5.124 5.553 -1.813 154 HB2 LEU 20 HB2 LEU 20 -4.807 4.184 0.284 155 HB3 LEU 20 HB1 LEU 20 -3.362 3.499 -0.448 156 HG LEU 20 HG LEU 20 -3.519 6.495 -0.511 157 HD11 LEU 20 HD11 LEU 20 -2.821 6.719 1.826 158 HD12 LEU 20 HD12 LEU 20 -3.053 4.988 2.071 159 HD13 LEU 20 HD13 LEU 20 -4.437 6.023 1.718 160 HD21 LEU 20 HD21 LEU 20 -1.365 4.487 0.234 161 HD22 LEU 20 HD22 LEU 20 -1.130 6.226 0.116 162 HD23 LEU 20 HD23 LEU 20 -1.532 5.299 -1.319 163 H LYS 21 HN LYS 21 -3.565 6.632 -2.887 164 HA LYS 21 HA LYS 21 -1.746 5.060 -4.691 165 HB2 LYS 21 HB2 LYS 21 -3.398 6.516 -5.819 166 HB3 LYS 21 HB1 LYS 21 -2.765 7.910 -4.949 167 HG2 LYS 21 HG2 LYS 21 -0.501 7.407 -5.970 168 HG3 LYS 21 HG1 LYS 21 -1.286 6.170 -6.945 169 HD2 LYS 21 HD2 LYS 21 -2.274 9.027 -6.923 170 HD3 LYS 21 HD1 LYS 21 -0.977 8.512 -7.995 171 HE2 LYS 21 HE2 LYS 21 -2.508 6.699 -8.844 172 HE3 LYS 21 HE1 LYS 21 -3.805 7.427 -7.901 173 HZ1 LYS 21 HZ1 LYS 21 -3.484 8.096 -10.352 174 HZ2 LYS 21 HZ2 LYS 21 -2.226 9.070 -9.757 175 HZ3 LYS 21 HZ3 LYS 21 -3.816 9.299 -9.204 176 H ALA 22 HN ALA 22 0.403 5.294 -4.438 177 HA ALA 22 HA ALA 22 1.609 7.682 -3.273 178 HB1 ALA 22 HB1 ALA 22 2.546 6.653 -1.294 179 HB2 ALA 22 HB2 ALA 22 1.816 5.099 -1.705 180 HB3 ALA 22 HB3 ALA 22 0.795 6.462 -1.247 181 H LYS 23 HN LYS 23 4.011 7.326 -2.966 182 HA LYS 23 HA LYS 23 5.068 5.507 -5.104 183 HB2 LYS 23 HB2 LYS 23 5.320 7.908 -5.609 184 HB3 LYS 23 HB1 LYS 23 6.178 8.141 -4.087 185 HG2 LYS 23 HG2 LYS 23 7.953 6.623 -4.808 186 HG3 LYS 23 HG1 LYS 23 7.077 6.266 -6.289 187 HD2 LYS 23 HD2 LYS 23 7.701 9.142 -5.663 188 HD3 LYS 23 HD1 LYS 23 9.004 8.109 -6.250 189 HE2 LYS 23 HE2 LYS 23 6.337 8.262 -7.666 190 HE3 LYS 23 HE1 LYS 23 7.657 9.369 -8.033 191 HZ1 LYS 23 HZ1 LYS 23 7.805 7.542 -9.516 192 HZ2 LYS 23 HZ2 LYS 23 7.671 6.412 -8.255 193 HZ3 LYS 23 HZ3 LYS 23 9.067 7.369 -8.395 194 H VAL 24 HN VAL 24 6.791 4.233 -4.657 195 HA VAL 24 HA VAL 24 7.352 3.698 -1.823 196 HB VAL 24 HB VAL 24 8.433 2.427 -4.361 197 HG11 VAL 24 HG11 VAL 24 10.048 1.931 -2.729 198 HG12 VAL 24 HG12 VAL 24 8.942 0.563 -2.595 199 HG13 VAL 24 HG13 VAL 24 8.861 1.878 -1.426 200 HG21 VAL 24 HG21 VAL 24 6.763 0.802 -4.119 201 HG22 VAL 24 HG22 VAL 24 5.895 2.245 -3.609 202 HG23 VAL 24 HG23 VAL 24 6.536 1.134 -2.405 203 H ILE 25 HN ILE 25 8.911 4.642 -0.728 204 HA ILE 25 HA ILE 25 11.044 6.154 -2.133 205 HB ILE 25 HB ILE 25 10.508 5.984 0.851 206 HG12 ILE 25 HG12 ILE 25 8.447 6.733 -0.194 207 HG13 ILE 25 HG11 ILE 25 9.253 8.143 0.492 208 HG21 ILE 25 HG21 ILE 25 12.669 6.924 0.313 209 HG22 ILE 25 HG22 ILE 25 11.603 8.260 0.749 210 HG23 ILE 25 HG23 ILE 25 11.965 7.940 -0.946 211 HD11 ILE 25 HD11 ILE 25 8.640 8.873 -1.662 212 HD12 ILE 25 HD12 ILE 25 9.033 7.322 -2.399 213 HD13 ILE 25 HD13 ILE 25 10.324 8.402 -1.876 214 H GLN 26 HN GLN 26 10.720 3.597 0.343 215 HA GLN 26 HA GLN 26 13.267 2.431 -0.540 216 HB2 GLN 26 HB2 GLN 26 14.002 4.193 1.013 217 HB3 GLN 26 HB1 GLN 26 12.979 3.501 2.275 218 HG2 GLN 26 HG2 GLN 26 14.241 1.413 2.214 219 HG3 GLN 26 HG1 GLN 26 15.198 2.001 0.855 220 HE21 GLN 26 HE21 GLN 26 16.447 1.209 3.304 221 HE22 GLN 26 HE22 GLN 26 17.108 2.588 4.043 222 H LEU 27 HN LEU 27 13.505 0.346 0.156 223 HA LEU 27 HA LEU 27 11.214 -0.930 1.591 224 HB2 LEU 27 HB2 LEU 27 12.625 -2.911 0.037 225 HB3 LEU 27 HB1 LEU 27 10.988 -2.318 -0.210 226 HG LEU 27 HG LEU 27 12.364 -2.022 -2.230 227 HD11 LEU 27 HD11 LEU 27 12.164 0.801 -1.680 228 HD12 LEU 27 HD12 LEU 27 10.804 -0.010 -0.923 229 HD13 LEU 27 HD13 LEU 27 11.105 -0.207 -2.641 230 HD21 LEU 27 HD21 LEU 27 14.052 0.174 -1.417 231 HD22 LEU 27 HD22 LEU 27 14.533 -1.381 -2.069 232 HD23 LEU 27 HD23 LEU 27 14.369 -1.182 -0.332 233 H TRP 28 HN TRP 28 11.707 -2.639 2.981 234 HA TRP 28 HA TRP 28 14.578 -3.080 3.669 235 HB2 TRP 28 HB2 TRP 28 13.464 -1.294 5.149 236 HB3 TRP 28 HB1 TRP 28 12.482 -2.608 5.799 237 HD1 TRP 28 HD1 TRP 28 16.190 -1.614 5.393 238 HE1 TRP 28 HE1 TRP 28 17.534 -2.734 7.289 239 HE3 TRP 28 HE3 TRP 28 12.503 -4.402 7.558 240 HZ2 TRP 28 HZ2 TRP 28 17.100 -4.572 9.439 241 HZ3 TRP 28 HZ3 TRP 28 12.992 -5.826 9.525 242 HH2 TRP 28 HH2 TRP 28 15.283 -5.916 10.467 243 H GLU 29 HN GLU 29 14.809 -5.171 3.330 244 HA GLU 29 HA GLU 29 12.846 -7.170 3.205 245 HB2 GLU 29 HB2 GLU 29 15.774 -7.392 3.975 246 HB3 GLU 29 HB1 GLU 29 14.745 -8.770 3.580 247 HG2 GLU 29 HG2 GLU 29 15.254 -6.430 1.722 248 HG3 GLU 29 HG1 GLU 29 16.098 -7.974 1.632 249 H ASN 30 HN ASN 30 11.740 -8.290 4.652 250 HA ASN 30 HA ASN 30 12.083 -7.644 7.517 251 HB2 ASN 30 HB2 ASN 30 9.831 -7.748 6.263 252 HB3 ASN 30 HB1 ASN 30 10.007 -9.504 6.337 253 HD21 ASN 30 HD21 ASN 30 8.528 -10.080 7.973 254 HD22 ASN 30 HD22 ASN 30 8.541 -9.433 9.542 255 H THR 31 HN THR 31 11.741 -9.566 9.045 256 HA THR 31 HA THR 31 13.720 -11.679 8.300 257 HB THR 31 HB THR 31 13.965 -12.029 10.698 258 HG1 THR 31 HG1 THR 31 12.278 -11.611 11.850 259 HG21 THR 31 HG21 THR 31 15.251 -10.186 9.706 260 HG22 THR 31 HG22 THR 31 14.788 -9.798 11.362 261 HG23 THR 31 HG23 THR 31 13.914 -9.077 10.009 262 H HIS 32 HN HIS 32 10.444 -11.287 8.271 263 HA HIS 32 HA HIS 32 9.855 -14.066 9.229 264 HB2 HIS 32 HB2 HIS 32 8.040 -11.696 8.693 265 HB3 HIS 32 HB1 HIS 32 7.469 -13.311 9.115 266 HD1 HIS 32 HD1 HIS 32 9.839 -10.671 10.527 267 HD2 HIS 32 HD2 HIS 32 7.355 -13.750 11.837 268 HE1 HIS 32 HE1 HIS 32 9.870 -10.588 13.059 269 H GLU 33 HN GLU 33 9.090 -15.574 7.894 270 HA GLU 33 HA GLU 33 9.522 -15.358 5.061 271 HB2 GLU 33 HB2 GLU 33 8.510 -17.643 4.999 272 HB3 GLU 33 HB1 GLU 33 9.776 -17.498 6.216 273 HG2 GLU 33 HG2 GLU 33 8.024 -17.105 7.950 274 HG3 GLU 33 HG1 GLU 33 6.786 -17.355 6.720 275 H SER 34 HN SER 34 6.650 -15.241 7.112 276 HA SER 34 HA SER 34 4.670 -15.334 5.057 277 HB2 SER 34 HB2 SER 34 4.491 -13.835 7.690 278 HB3 SER 34 HB1 SER 34 3.148 -14.435 6.720 279 HG SER 34 HG SER 34 4.126 -15.718 8.627 280 H ILE 35 HN ILE 35 6.560 -12.691 6.433 281 HA ILE 35 HA ILE 35 5.240 -10.761 4.564 282 HB ILE 35 HB ILE 35 7.068 -10.270 6.941 283 HG12 ILE 35 HG12 ILE 35 4.113 -9.669 6.651 284 HG13 ILE 35 HG11 ILE 35 4.707 -11.166 7.368 285 HG21 ILE 35 HG21 ILE 35 5.587 -8.417 5.055 286 HG22 ILE 35 HG22 ILE 35 7.327 -8.486 5.338 287 HG23 ILE 35 HG23 ILE 35 6.250 -7.894 6.604 288 HD11 ILE 35 HD11 ILE 35 4.183 -9.256 8.997 289 HD12 ILE 35 HD12 ILE 35 5.609 -8.449 8.344 290 HD13 ILE 35 HD13 ILE 35 5.772 -10.006 9.158 291 H SER 36 HN SER 36 6.287 -10.106 2.828 292 HA SER 36 HA SER 36 8.891 -11.167 2.125 293 HB2 SER 36 HB2 SER 36 7.264 -10.835 0.364 294 HB3 SER 36 HB1 SER 36 7.073 -9.140 0.788 295 HG SER 36 HG SER 36 9.141 -10.449 -0.550 296 H GLN 37 HN GLN 37 7.882 -7.765 1.906 297 HA GLN 37 HA GLN 37 10.321 -6.954 3.434 298 HB2 GLN 37 HB2 GLN 37 10.800 -5.245 1.695 299 HB3 GLN 37 HB1 GLN 37 10.954 -6.886 1.072 300 HG2 GLN 37 HG2 GLN 37 8.669 -6.725 0.120 301 HG3 GLN 37 HG1 GLN 37 8.547 -5.069 0.718 302 HE21 GLN 37 HE21 GLN 37 8.476 -4.089 -1.403 303 HE22 GLN 37 HE22 GLN 37 9.817 -4.092 -2.445 304 H VAL 38 HN VAL 38 10.242 -4.816 4.216 305 HA VAL 38 HA VAL 38 7.538 -3.521 4.256 306 HB VAL 38 HB VAL 38 9.384 -4.087 6.597 307 HG11 VAL 38 HG11 VAL 38 8.616 -1.848 6.924 308 HG12 VAL 38 HG12 VAL 38 7.532 -2.861 7.876 309 HG13 VAL 38 HG13 VAL 38 7.008 -2.237 6.314 310 HG21 VAL 38 HG21 VAL 38 7.883 -5.921 5.959 311 HG22 VAL 38 HG22 VAL 38 6.513 -4.816 5.965 312 HG23 VAL 38 HG23 VAL 38 7.340 -5.198 7.473 313 H GLY 39 HN GLY 39 7.599 -1.358 3.997 314 HA2 GLY 39 HA2 GLY 39 10.067 0.180 4.492 315 HA3 GLY 39 HA1 GLY 39 9.549 0.096 2.816 316 H LEU 40 HN LEU 40 9.150 2.328 2.757 317 HA LEU 40 HA LEU 40 6.595 3.156 4.093 318 HB2 LEU 40 HB2 LEU 40 7.720 5.498 4.185 319 HB3 LEU 40 HB1 LEU 40 8.128 4.326 5.424 320 HG LEU 40 HG LEU 40 9.823 4.320 2.943 321 HD11 LEU 40 HD11 LEU 40 9.785 6.677 3.297 322 HD12 LEU 40 HD12 LEU 40 11.260 6.113 4.081 323 HD13 LEU 40 HD13 LEU 40 9.836 6.493 5.050 324 HD21 LEU 40 HD21 LEU 40 11.494 3.546 4.435 325 HD22 LEU 40 HD22 LEU 40 10.023 2.801 5.050 326 HD23 LEU 40 HD23 LEU 40 10.681 4.225 5.844 327 H LEU 41 HN LEU 41 5.394 4.675 2.960 328 HA LEU 41 HA LEU 41 6.118 4.979 0.059 329 HB2 LEU 41 HB2 LEU 41 3.335 4.907 1.262 330 HB3 LEU 41 HB1 LEU 41 3.775 4.866 -0.445 331 HG LEU 41 HG LEU 41 4.471 2.750 1.586 332 HD11 LEU 41 HD11 LEU 41 2.914 1.348 0.216 333 HD12 LEU 41 HD12 LEU 41 2.459 2.805 -0.669 334 HD13 LEU 41 HD13 LEU 41 2.109 2.676 1.054 335 HD21 LEU 41 HD21 LEU 41 6.208 2.674 -0.003 336 HD22 LEU 41 HD22 LEU 41 5.139 3.144 -1.326 337 HD23 LEU 41 HD23 LEU 41 5.046 1.519 -0.651 338 H GLY 42 HN GLY 42 6.389 6.964 -0.597 339 HA2 GLY 42 HA2 GLY 42 5.828 9.244 1.158 340 HA3 GLY 42 HA1 GLY 42 6.695 9.296 -0.370 341 H ASP 43 HN ASP 43 4.549 11.003 0.607 342 HA ASP 43 HA ASP 43 2.981 11.169 -1.810 343 HB2 ASP 43 HB2 ASP 43 1.836 9.295 -0.518 344 HB3 ASP 43 HB1 ASP 43 1.417 10.505 0.695 345 H GLU 44 HN GLU 44 1.429 12.985 -1.667 346 HA GLU 44 HA GLU 44 2.631 15.285 -0.456 347 HB2 GLU 44 HB2 GLU 44 1.273 15.369 -2.534 348 HB3 GLU 44 HB1 GLU 44 -0.170 14.972 -1.597 349 HG2 GLU 44 HG2 GLU 44 0.100 17.014 -0.268 350 HG3 GLU 44 HG1 GLU 44 1.591 17.397 -1.126 351 H THR 45 HN THR 45 0.272 12.993 0.683 352 HA THR 45 HA THR 45 -0.716 14.797 2.811 353 HB THR 45 HB THR 45 -2.152 12.937 3.457 354 HG1 THR 45 HG1 THR 45 -0.632 11.488 1.554 355 HG21 THR 45 HG21 THR 45 -3.272 12.526 1.212 356 HG22 THR 45 HG22 THR 45 -1.941 13.424 0.481 357 HG23 THR 45 HG23 THR 45 -3.013 14.218 1.635 358 H GLY 46 HN GLY 46 1.990 12.853 2.363 359 HA2 GLY 46 HA2 GLY 46 3.503 13.158 4.448 360 HA3 GLY 46 HA1 GLY 46 2.242 12.277 5.300 361 H ILE 47 HN ILE 47 3.827 10.711 5.828 362 HA ILE 47 HA ILE 47 4.436 8.783 3.611 363 HB ILE 47 HB ILE 47 6.162 9.432 6.025 364 HG12 ILE 47 HG12 ILE 47 7.702 9.978 3.835 365 HG13 ILE 47 HG11 ILE 47 6.121 10.361 3.165 366 HG21 ILE 47 HG21 ILE 47 6.443 7.127 5.500 367 HG22 ILE 47 HG22 ILE 47 7.792 7.957 4.724 368 HG23 ILE 47 HG23 ILE 47 6.404 7.442 3.765 369 HD11 ILE 47 HD11 ILE 47 5.695 11.918 5.017 370 HD12 ILE 47 HD12 ILE 47 7.195 12.338 4.198 371 HD13 ILE 47 HD13 ILE 47 7.243 11.496 5.746 372 H ILE 48 HN ILE 48 3.806 6.748 3.972 373 HA ILE 48 HA ILE 48 2.956 5.954 6.739 374 HB ILE 48 HB ILE 48 1.004 6.473 5.268 375 HG12 ILE 48 HG12 ILE 48 1.213 3.503 5.804 376 HG13 ILE 48 HG11 ILE 48 1.039 4.687 7.100 377 HG21 ILE 48 HG21 ILE 48 1.859 4.046 3.672 378 HG22 ILE 48 HG22 ILE 48 2.182 5.698 3.144 379 HG23 ILE 48 HG23 ILE 48 0.520 5.143 3.337 380 HD11 ILE 48 HD11 ILE 48 -0.865 4.497 4.750 381 HD12 ILE 48 HD12 ILE 48 -1.072 5.450 6.221 382 HD13 ILE 48 HD13 ILE 48 -1.142 3.688 6.293 383 H LYS 49 HN LYS 49 3.161 3.778 7.242 384 HA LYS 49 HA LYS 49 5.373 2.411 5.888 385 HB2 LYS 49 HB2 LYS 49 3.718 1.560 8.289 386 HB3 LYS 49 HB1 LYS 49 5.236 0.839 7.767 387 HG2 LYS 49 HG2 LYS 49 4.951 3.757 8.535 388 HG3 LYS 49 HG1 LYS 49 5.468 2.502 9.660 389 HD2 LYS 49 HD2 LYS 49 7.267 1.939 7.849 390 HD3 LYS 49 HD1 LYS 49 6.882 3.532 7.205 391 HE2 LYS 49 HE2 LYS 49 8.680 3.925 8.681 392 HE3 LYS 49 HE1 LYS 49 7.253 4.400 9.601 393 HZ1 LYS 49 HZ1 LYS 49 8.215 3.043 11.113 394 HZ2 LYS 49 HZ2 LYS 49 9.010 2.097 9.946 395 HZ3 LYS 49 HZ3 LYS 49 7.356 1.856 10.257 396 H PHE 50 HN PHE 50 5.241 0.272 5.065 397 HA PHE 50 HA PHE 50 2.537 -0.866 4.636 398 HB2 PHE 50 HB2 PHE 50 2.622 -0.862 2.284 399 HB3 PHE 50 HB1 PHE 50 3.159 0.754 2.726 400 HD1 PHE 50 HD2 PHE 50 5.663 1.238 2.788 401 HD2 PHE 50 HD1 PHE 50 4.035 -2.354 1.094 402 HE1 PHE 50 HE2 PHE 50 7.773 0.861 1.552 403 HE2 PHE 50 HE1 PHE 50 6.166 -2.749 -0.116 404 HZ PHE 50 HZ PHE 50 8.035 -1.140 0.119 405 H THR 51 HN THR 51 2.570 -3.036 3.956 406 HA THR 51 HA THR 51 5.189 -4.448 3.951 407 HB THR 51 HB THR 51 4.255 -4.397 6.307 408 HG1 THR 51 HG1 THR 51 5.213 -6.242 6.482 409 HG21 THR 51 HG21 THR 51 1.848 -4.590 5.557 410 HG22 THR 51 HG22 THR 51 2.319 -5.690 6.853 411 HG23 THR 51 HG23 THR 51 2.176 -6.286 5.201 412 H ILE 52 HN ILE 52 5.222 -6.190 2.637 413 HA ILE 52 HA ILE 52 2.713 -6.788 1.107 414 HB ILE 52 HB ILE 52 5.607 -7.380 0.414 415 HG12 ILE 52 HG12 ILE 52 3.718 -5.360 -0.823 416 HG13 ILE 52 HG11 ILE 52 4.907 -4.939 0.407 417 HG21 ILE 52 HG21 ILE 52 4.583 -7.847 -1.848 418 HG22 ILE 52 HG22 ILE 52 2.999 -7.752 -1.080 419 HG23 ILE 52 HG23 ILE 52 4.137 -9.010 -0.599 420 HD11 ILE 52 HD11 ILE 52 6.675 -5.957 -1.113 421 HD12 ILE 52 HD12 ILE 52 5.928 -4.480 -1.720 422 HD13 ILE 52 HD13 ILE 52 5.435 -6.046 -2.365 423 H TRP 53 HN TRP 53 1.672 -8.525 1.751 424 HA TRP 53 HA TRP 53 3.017 -10.669 3.263 425 HB2 TRP 53 HB2 TRP 53 0.122 -10.284 2.412 426 HB3 TRP 53 HB1 TRP 53 0.705 -11.624 3.400 427 HD1 TRP 53 HD1 TRP 53 0.438 -7.785 3.470 428 HE1 TRP 53 HE1 TRP 53 0.365 -7.014 5.930 429 HE3 TRP 53 HE3 TRP 53 1.186 -12.261 5.825 430 HZ2 TRP 53 HZ2 TRP 53 0.595 -8.143 8.544 431 HZ3 TRP 53 HZ3 TRP 53 1.254 -12.380 8.300 432 HH2 TRP 53 HH2 TRP 53 0.959 -10.328 9.661 433 H LYS 54 HN LYS 54 3.457 -12.662 2.483 434 HA LYS 54 HA LYS 54 3.327 -13.045 -0.444 435 HB2 LYS 54 HB2 LYS 54 4.632 -14.621 1.804 436 HB3 LYS 54 HB1 LYS 54 4.667 -15.120 0.114 437 HG2 LYS 54 HG2 LYS 54 5.498 -12.306 0.797 438 HG3 LYS 54 HG1 LYS 54 6.628 -13.615 1.124 439 HD2 LYS 54 HD2 LYS 54 5.284 -13.490 -1.576 440 HD3 LYS 54 HD1 LYS 54 6.637 -12.415 -1.241 441 HE2 LYS 54 HE2 LYS 54 8.016 -14.378 -0.602 442 HE3 LYS 54 HE1 LYS 54 6.668 -15.441 -0.995 443 HZ1 LYS 54 HZ1 LYS 54 7.931 -15.427 -2.913 444 HZ2 LYS 54 HZ2 LYS 54 8.286 -13.769 -2.801 445 HZ3 LYS 54 HZ3 LYS 54 6.729 -14.279 -3.251 446 H ASN 55 HN ASN 55 0.822 -13.021 0.542 447 HA ASN 55 HA ASN 55 -0.205 -15.605 1.329 448 HB2 ASN 55 HB2 ASN 55 -1.528 -13.157 0.114 449 HB3 ASN 55 HB1 ASN 55 -2.421 -14.591 0.617 450 HD21 ASN 55 HD21 ASN 55 -2.950 -12.132 1.888 451 HD22 ASN 55 HD22 ASN 55 -2.377 -12.188 3.486 452 H ALA 56 HN ALA 56 1.191 -14.607 -1.505 453 HA ALA 56 HA ALA 56 0.169 -16.931 -2.969 454 HB1 ALA 56 HB1 ALA 56 -0.416 -14.104 -3.880 455 HB2 ALA 56 HB2 ALA 56 -1.565 -15.417 -3.625 456 HB3 ALA 56 HB3 ALA 56 -0.438 -15.486 -4.977 457 H GLU 57 HN GLU 57 1.388 -14.022 -4.506 458 HA GLU 57 HA GLU 57 4.183 -14.479 -4.361 459 HB2 GLU 57 HB2 GLU 57 4.476 -15.400 -6.736 460 HB3 GLU 57 HB1 GLU 57 3.956 -16.547 -5.509 461 HG2 GLU 57 HG2 GLU 57 1.636 -16.352 -6.240 462 HG3 GLU 57 HG1 GLU 57 2.069 -15.089 -7.389 463 H LEU 58 HN LEU 58 3.454 -12.161 -4.176 464 HA LEU 58 HA LEU 58 2.871 -10.820 -6.718 465 HB2 LEU 58 HB2 LEU 58 3.391 -9.471 -4.067 466 HB3 LEU 58 HB1 LEU 58 2.462 -8.861 -5.439 467 HG LEU 58 HG LEU 58 1.717 -11.194 -3.650 468 HD11 LEU 58 HD11 LEU 58 -0.310 -9.690 -3.270 469 HD12 LEU 58 HD12 LEU 58 0.605 -8.410 -4.068 470 HD13 LEU 58 HD13 LEU 58 1.204 -9.118 -2.568 471 HD21 LEU 58 HD21 LEU 58 0.978 -11.797 -5.831 472 HD22 LEU 58 HD22 LEU 58 0.527 -10.137 -6.222 473 HD23 LEU 58 HD23 LEU 58 -0.431 -11.065 -5.068 474 HA PRO 59 HA PRO 59 7.178 -9.957 -7.423 475 HB2 PRO 59 HB2 PRO 59 6.959 -7.848 -9.160 476 HB3 PRO 59 HB1 PRO 59 6.611 -9.526 -9.619 477 HG2 PRO 59 HG2 PRO 59 4.718 -7.331 -8.898 478 HG3 PRO 59 HG1 PRO 59 4.579 -8.577 -10.154 479 HD2 PRO 59 HD2 PRO 59 3.288 -8.737 -7.735 480 HD3 PRO 59 HD1 PRO 59 3.775 -10.160 -8.689 481 H LEU 60 HN LEU 60 8.816 -8.425 -6.997 482 HA LEU 60 HA LEU 60 8.306 -6.731 -4.715 483 HB2 LEU 60 HB2 LEU 60 10.784 -6.921 -6.456 484 HB3 LEU 60 HB1 LEU 60 10.694 -6.218 -4.841 485 HG LEU 60 HG LEU 60 10.077 -9.112 -5.511 486 HD11 LEU 60 HD11 LEU 60 12.181 -9.575 -4.278 487 HD12 LEU 60 HD12 LEU 60 12.465 -7.841 -4.139 488 HD13 LEU 60 HD13 LEU 60 12.473 -8.609 -5.725 489 HD21 LEU 60 HD21 LEU 60 8.822 -8.673 -3.586 490 HD22 LEU 60 HD22 LEU 60 9.951 -7.453 -2.993 491 HD23 LEU 60 HD23 LEU 60 10.356 -9.164 -2.878 492 H LEU 61 HN LEU 61 8.335 -4.546 -4.557 493 HA LEU 61 HA LEU 61 7.601 -3.053 -6.985 494 HB2 LEU 61 HB2 LEU 61 7.591 -2.452 -4.019 495 HB3 LEU 61 HB1 LEU 61 7.349 -1.173 -5.208 496 HG LEU 61 HG LEU 61 5.447 -2.406 -6.171 497 HD11 LEU 61 HD11 LEU 61 6.223 -4.423 -4.057 498 HD12 LEU 61 HD12 LEU 61 5.980 -4.687 -5.785 499 HD13 LEU 61 HD13 LEU 61 4.597 -4.377 -4.739 500 HD21 LEU 61 HD21 LEU 61 3.957 -2.312 -4.088 501 HD22 LEU 61 HD22 LEU 61 4.846 -0.837 -4.467 502 HD23 LEU 61 HD23 LEU 61 5.416 -1.906 -3.185 503 H GLU 62 HN GLU 62 8.841 -1.546 -7.945 504 HA GLU 62 HA GLU 62 11.688 -1.466 -7.288 505 HB2 GLU 62 HB2 GLU 62 10.032 -0.124 -9.446 506 HB3 GLU 62 HB1 GLU 62 11.781 0.067 -9.296 507 HG2 GLU 62 HG2 GLU 62 12.098 -2.351 -9.525 508 HG3 GLU 62 HG1 GLU 62 10.354 -2.593 -9.598 509 H GLN 63 HN GLN 63 12.832 0.285 -6.576 510 HA GLN 63 HA GLN 63 11.370 2.213 -4.938 511 HB2 GLN 63 HB2 GLN 63 13.470 1.187 -4.132 512 HB3 GLN 63 HB1 GLN 63 14.349 1.931 -5.469 513 HG2 GLN 63 HG2 GLN 63 13.841 4.151 -4.659 514 HG3 GLN 63 HG1 GLN 63 12.753 3.504 -3.432 515 HE21 GLN 63 HE21 GLN 63 14.978 5.146 -2.699 516 HE22 GLN 63 HE22 GLN 63 16.099 4.193 -1.851 517 H GLY 64 HN GLY 64 10.774 4.162 -5.565 518 HA2 GLY 64 HA2 GLY 64 11.128 6.330 -6.531 519 HA3 GLY 64 HA1 GLY 64 12.322 5.638 -7.631 520 H GLU 65 HN GLU 65 9.163 4.211 -7.030 521 HA GLU 65 HA GLU 65 8.163 5.210 -9.658 522 HB2 GLU 65 HB2 GLU 65 8.313 2.298 -8.816 523 HB3 GLU 65 HB1 GLU 65 7.372 2.889 -10.180 524 HG2 GLU 65 HG2 GLU 65 9.371 2.264 -11.219 525 HG3 GLU 65 HG1 GLU 65 9.637 3.981 -10.947 526 H SER 66 HN SER 66 5.974 5.378 -9.789 527 HA SER 66 HA SER 66 4.497 5.576 -7.303 528 HB2 SER 66 HB2 SER 66 4.075 7.193 -9.064 529 HB3 SER 66 HB1 SER 66 3.649 5.908 -10.191 530 HG SER 66 HG SER 66 1.870 5.433 -8.913 531 H TYR 67 HN TYR 67 2.789 4.315 -6.618 532 HA TYR 67 HA TYR 67 2.154 1.849 -8.182 533 HB2 TYR 67 HB2 TYR 67 2.968 1.976 -5.265 534 HB3 TYR 67 HB1 TYR 67 2.225 0.566 -6.027 535 HD1 TYR 67 HD1 TYR 67 3.385 -0.683 -7.795 536 HD2 TYR 67 HD2 TYR 67 5.252 2.627 -5.799 537 HE1 TYR 67 HE1 TYR 67 5.585 -1.383 -8.698 538 HE2 TYR 67 HE2 TYR 67 7.455 1.923 -6.689 539 HH TYR 67 HH TYR 67 8.106 0.418 -8.987 540 H LEU 68 HN LEU 68 0.108 1.102 -7.955 541 HA LEU 68 HA LEU 68 -1.779 2.885 -6.493 542 HB2 LEU 68 HB2 LEU 68 -1.836 2.325 -9.114 543 HB3 LEU 68 HB1 LEU 68 -2.687 0.893 -8.560 544 HG LEU 68 HG LEU 68 -4.354 2.575 -9.014 545 HD11 LEU 68 HD11 LEU 68 -4.496 1.209 -6.839 546 HD12 LEU 68 HD12 LEU 68 -5.486 2.657 -6.929 547 HD13 LEU 68 HD13 LEU 68 -3.989 2.678 -6.014 548 HD21 LEU 68 HD21 LEU 68 -2.442 4.430 -8.542 549 HD22 LEU 68 HD22 LEU 68 -3.274 4.510 -6.997 550 HD23 LEU 68 HD23 LEU 68 -4.155 4.808 -8.487 551 H LEU 69 HN LEU 69 -2.569 2.091 -4.685 552 HA LEU 69 HA LEU 69 -2.475 -0.825 -4.132 553 HB2 LEU 69 HB2 LEU 69 -3.255 1.475 -2.304 554 HB3 LEU 69 HB1 LEU 69 -2.917 -0.185 -1.829 555 HG LEU 69 HG LEU 69 -0.919 1.684 -3.125 556 HD11 LEU 69 HD11 LEU 69 0.186 1.515 -0.858 557 HD12 LEU 69 HD12 LEU 69 -1.290 0.751 -0.267 558 HD13 LEU 69 HD13 LEU 69 -1.333 2.408 -0.864 559 HD21 LEU 69 HD21 LEU 69 -0.253 -0.492 -3.735 560 HD22 LEU 69 HD22 LEU 69 -0.834 -1.199 -2.224 561 HD23 LEU 69 HD23 LEU 69 0.637 -0.227 -2.240 562 H ARG 70 HN ARG 70 -4.179 -1.899 -4.859 563 HA ARG 70 HA ARG 70 -6.875 -0.615 -4.767 564 HB2 ARG 70 HB2 ARG 70 -5.865 -3.057 -6.245 565 HB3 ARG 70 HB1 ARG 70 -7.539 -2.507 -6.253 566 HG2 ARG 70 HG2 ARG 70 -6.765 -0.300 -7.139 567 HG3 ARG 70 HG1 ARG 70 -5.132 -0.962 -7.245 568 HD2 ARG 70 HD2 ARG 70 -5.943 -2.738 -8.762 569 HD3 ARG 70 HD1 ARG 70 -7.568 -2.060 -8.678 570 HE ARG 70 HE ARG 70 -5.571 -0.114 -9.547 571 HH11 ARG 70 HH21 ARG 70 -7.720 -2.677 -10.491 572 HH12 ARG 70 HH22 ARG 70 -7.820 -2.143 -12.137 573 HH21 ARG 70 HH11 ARG 70 -5.715 0.569 -11.686 574 HH22 ARG 70 HH12 ARG 70 -6.692 -0.319 -12.809 575 H SER 71 HN SER 71 -8.407 -1.335 -3.511 576 HA SER 71 HA SER 71 -9.316 -2.282 -1.577 577 HB2 SER 71 HB2 SER 71 -8.676 -4.831 -3.075 578 HB3 SER 71 HB1 SER 71 -9.984 -4.562 -1.926 579 HG SER 71 HG SER 71 -10.257 -4.334 -4.413 580 H VAL 72 HN VAL 72 -7.551 -1.620 -0.197 581 HA VAL 72 HA VAL 72 -5.919 -3.950 0.779 582 HB VAL 72 HB VAL 72 -4.269 -2.257 1.573 583 HG11 VAL 72 HG11 VAL 72 -3.185 -2.067 -0.511 584 HG12 VAL 72 HG12 VAL 72 -4.704 -1.928 -1.396 585 HG13 VAL 72 HG13 VAL 72 -4.219 -3.474 -0.708 586 HG21 VAL 72 HG21 VAL 72 -4.386 0.029 0.845 587 HG22 VAL 72 HG22 VAL 72 -5.959 -0.340 1.549 588 HG23 VAL 72 HG23 VAL 72 -5.763 -0.306 -0.203 589 H VAL 73 HN VAL 73 -5.381 -3.824 3.064 590 HA VAL 73 HA VAL 73 -7.559 -2.537 4.686 591 HB VAL 73 HB VAL 73 -7.681 -5.064 4.460 592 HG11 VAL 73 HG11 VAL 73 -5.123 -5.309 4.558 593 HG12 VAL 73 HG12 VAL 73 -6.058 -6.442 5.532 594 HG13 VAL 73 HG13 VAL 73 -5.275 -5.060 6.298 595 HG21 VAL 73 HG21 VAL 73 -8.040 -5.391 6.894 596 HG22 VAL 73 HG22 VAL 73 -8.710 -3.859 6.338 597 HG23 VAL 73 HG23 VAL 73 -7.178 -3.885 7.211 598 H VAL 74 HN VAL 74 -6.946 -1.380 6.400 599 HA VAL 74 HA VAL 74 -4.043 -0.953 6.831 600 HB VAL 74 HB VAL 74 -6.329 0.479 8.211 601 HG11 VAL 74 HG11 VAL 74 -3.888 0.636 8.990 602 HG12 VAL 74 HG12 VAL 74 -4.691 2.161 8.629 603 HG13 VAL 74 HG13 VAL 74 -3.567 1.460 7.465 604 HG21 VAL 74 HG21 VAL 74 -6.026 2.205 6.397 605 HG22 VAL 74 HG22 VAL 74 -6.733 0.695 5.822 606 HG23 VAL 74 HG23 VAL 74 -5.029 1.042 5.525 607 H GLY 75 HN GLY 75 -3.062 -2.171 8.267 608 HA2 GLY 75 HA2 GLY 75 -4.563 -3.346 10.559 609 HA3 GLY 75 HA1 GLY 75 -2.996 -3.891 9.964 610 H GLU 76 HN GLU 76 -3.022 -3.593 12.548 611 HA GLU 76 HA GLU 76 -2.027 -0.852 13.216 612 HB2 GLU 76 HB2 GLU 76 -2.951 -3.156 14.966 613 HB3 GLU 76 HB1 GLU 76 -2.226 -1.673 15.591 614 HG2 GLU 76 HG2 GLU 76 -4.002 -0.333 14.581 615 HG3 GLU 76 HG1 GLU 76 -4.708 -1.773 13.851 616 H TYR 77 HN TYR 77 0.072 -0.618 13.061 617 HA TYR 77 HA TYR 77 1.887 -2.868 13.877 618 HB2 TYR 77 HB2 TYR 77 1.985 -2.615 11.463 619 HB3 TYR 77 HB1 TYR 77 2.235 -0.874 11.614 620 HD1 TYR 77 HD1 TYR 77 3.728 -4.206 12.276 621 HD2 TYR 77 HD2 TYR 77 4.384 0.039 12.163 622 HE1 TYR 77 HE1 TYR 77 6.171 -4.578 12.492 623 HE2 TYR 77 HE2 TYR 77 6.827 -0.333 12.375 624 HH TYR 77 HH TYR 77 8.163 -3.266 13.317 625 H ASN 78 HN ASN 78 2.999 -2.346 15.601 626 HA ASN 78 HA ASN 78 4.079 -1.136 17.269 627 HB2 ASN 78 HB2 ASN 78 5.585 -0.733 15.289 628 HB3 ASN 78 HB1 ASN 78 4.737 0.792 15.027 629 HD21 ASN 78 HD21 ASN 78 6.024 -0.890 17.969 630 HD22 ASN 78 HD22 ASN 78 6.863 0.466 18.551 631 H ASP 79 HN ASP 79 1.337 -0.684 17.066 632 HA ASP 79 HA ASP 79 -0.267 0.724 18.010 633 HB2 ASP 79 HB2 ASP 79 1.797 1.259 19.516 634 HB3 ASP 79 HB1 ASP 79 1.890 2.758 18.593 635 H ARG 80 HN ARG 80 1.576 1.343 15.377 636 HA ARG 80 HA ARG 80 0.184 3.891 14.659 637 HB2 ARG 80 HB2 ARG 80 2.497 2.489 13.274 638 HB3 ARG 80 HB1 ARG 80 1.850 4.077 12.877 639 HG2 ARG 80 HG2 ARG 80 2.814 3.522 15.681 640 HG3 ARG 80 HG1 ARG 80 3.977 3.908 14.419 641 HD2 ARG 80 HD2 ARG 80 1.581 5.620 15.163 642 HD3 ARG 80 HD1 ARG 80 3.243 5.935 15.645 643 HE ARG 80 HE ARG 80 3.176 5.675 12.808 644 HH11 ARG 80 HH21 ARG 80 2.052 7.761 15.353 645 HH12 ARG 80 HH22 ARG 80 2.068 9.176 14.352 646 HH21 ARG 80 HH11 ARG 80 3.194 7.515 11.529 647 HH22 ARG 80 HH12 ARG 80 2.713 9.036 12.200 648 H PHE 81 HN PHE 81 0.131 3.765 11.982 649 HA PHE 81 HA PHE 81 -1.582 1.371 11.367 650 HB2 PHE 81 HB2 PHE 81 -1.951 4.285 10.617 651 HB3 PHE 81 HB1 PHE 81 -2.828 2.967 9.839 652 HD1 PHE 81 HD1 PHE 81 -4.362 1.516 11.169 653 HD2 PHE 81 HD2 PHE 81 -2.497 5.002 12.855 654 HE1 PHE 81 HE1 PHE 81 -5.987 1.483 13.041 655 HE2 PHE 81 HE2 PHE 81 -4.124 4.965 14.727 656 HZ PHE 81 HZ PHE 81 -5.869 3.206 14.820 657 H GLN 82 HN GLN 82 -1.279 0.380 9.474 658 HA GLN 82 HA GLN 82 0.426 1.585 7.370 659 HB2 GLN 82 HB2 GLN 82 2.042 -0.144 7.345 660 HB3 GLN 82 HB1 GLN 82 1.888 0.284 9.044 661 HG2 GLN 82 HG2 GLN 82 0.738 -2.125 7.612 662 HG3 GLN 82 HG1 GLN 82 1.856 -2.105 8.973 663 HE21 GLN 82 HE21 GLN 82 0.673 -0.422 10.809 664 HE22 GLN 82 HE22 GLN 82 -0.870 -0.983 11.238 665 H VAL 83 HN VAL 83 0.180 0.557 5.354 666 HA VAL 83 HA VAL 83 -2.402 -0.840 5.051 667 HB VAL 83 HB VAL 83 -2.083 -0.462 2.654 668 HG11 VAL 83 HG11 VAL 83 -2.935 1.357 4.165 669 HG12 VAL 83 HG12 VAL 83 -2.171 1.958 2.694 670 HG13 VAL 83 HG13 VAL 83 -1.298 2.009 4.226 671 HG21 VAL 83 HG21 VAL 83 0.656 0.532 3.508 672 HG22 VAL 83 HG22 VAL 83 -0.054 0.875 1.930 673 HG23 VAL 83 HG23 VAL 83 0.294 -0.789 2.396 674 H GLN 84 HN GLN 84 -2.639 -2.919 4.640 675 HA GLN 84 HA GLN 84 -0.188 -4.606 4.263 676 HB2 GLN 84 HB2 GLN 84 -2.908 -5.260 5.443 677 HB3 GLN 84 HB1 GLN 84 -1.638 -6.450 5.147 678 HG2 GLN 84 HG2 GLN 84 -0.117 -5.241 6.635 679 HG3 GLN 84 HG1 GLN 84 -1.338 -3.997 6.906 680 HE21 GLN 84 HE21 GLN 84 -0.776 -4.935 9.256 681 HE22 GLN 84 HE22 GLN 84 -1.802 -6.177 9.794 682 H VAL 85 HN VAL 85 0.067 -5.464 2.341 683 HA VAL 85 HA VAL 85 -2.181 -5.558 0.406 684 HB VAL 85 HB VAL 85 0.773 -6.163 0.032 685 HG11 VAL 85 HG11 VAL 85 -1.516 -5.839 -1.925 686 HG12 VAL 85 HG12 VAL 85 -0.618 -7.322 -1.606 687 HG13 VAL 85 HG13 VAL 85 0.181 -5.959 -2.385 688 HG21 VAL 85 HG21 VAL 85 0.292 -3.789 0.602 689 HG22 VAL 85 HG22 VAL 85 -0.867 -3.725 -0.726 690 HG23 VAL 85 HG23 VAL 85 0.846 -3.962 -1.062 691 H ASN 86 HN ASN 86 -3.192 -7.399 -0.076 692 HA ASN 86 HA ASN 86 -1.973 -10.013 0.760 693 HB2 ASN 86 HB2 ASN 86 -4.838 -9.075 1.082 694 HB3 ASN 86 HB1 ASN 86 -4.306 -10.742 1.307 695 HD21 ASN 86 HD21 ASN 86 -5.385 -8.826 3.367 696 HD22 ASN 86 HD22 ASN 86 -4.182 -8.729 4.562 697 H LYS 87 HN LYS 87 -3.543 -11.794 -0.225 698 HA LYS 87 HA LYS 87 -3.058 -11.891 -2.997 699 HB2 LYS 87 HB2 LYS 87 -3.514 -13.911 -1.692 700 HB3 LYS 87 HB1 LYS 87 -5.156 -13.360 -1.352 701 HG2 LYS 87 HG2 LYS 87 -5.739 -13.475 -3.715 702 HG3 LYS 87 HG1 LYS 87 -4.070 -13.886 -4.135 703 HD2 LYS 87 HD2 LYS 87 -4.255 -15.972 -2.830 704 HD3 LYS 87 HD1 LYS 87 -5.915 -15.557 -2.397 705 HE2 LYS 87 HE2 LYS 87 -5.957 -17.109 -4.275 706 HE3 LYS 87 HE1 LYS 87 -6.492 -15.524 -4.833 707 HZ1 LYS 87 HZ1 LYS 87 -3.662 -15.810 -5.014 708 HZ2 LYS 87 HZ2 LYS 87 -4.784 -15.392 -6.220 709 HZ3 LYS 87 HZ3 LYS 87 -4.459 -17.026 -5.888 710 H ASN 88 HN ASN 88 -6.034 -11.050 -1.253 711 HA ASN 88 HA ASN 88 -7.668 -10.618 -3.550 712 HB2 ASN 88 HB2 ASN 88 -7.822 -9.519 -0.728 713 HB3 ASN 88 HB1 ASN 88 -9.045 -9.214 -1.956 714 HD21 ASN 88 HD21 ASN 88 -9.693 -10.674 0.410 715 HD22 ASN 88 HD22 ASN 88 -10.032 -12.280 -0.021 716 H SER 89 HN SER 89 -5.440 -8.504 -1.793 717 HA SER 89 HA SER 89 -6.213 -6.080 -3.183 718 HB2 SER 89 HB2 SER 89 -3.659 -6.780 -1.704 719 HB3 SER 89 HB1 SER 89 -4.076 -5.173 -2.286 720 HG SER 89 HG SER 89 -4.636 -5.760 -0.020 721 H SER 90 HN SER 90 -5.068 -4.997 -4.800 722 HA SER 90 HA SER 90 -3.153 -6.650 -6.424 723 HB2 SER 90 HB2 SER 90 -5.405 -6.728 -7.468 724 HB3 SER 90 HB1 SER 90 -5.443 -4.970 -7.504 725 HG SER 90 HG SER 90 -3.398 -6.537 -8.688 726 H ILE 91 HN ILE 91 -1.571 -5.495 -7.459 727 HA ILE 91 HA ILE 91 -1.395 -2.567 -6.826 728 HB ILE 91 HB ILE 91 0.832 -4.620 -6.956 729 HG12 ILE 91 HG12 ILE 91 -0.089 -2.883 -4.645 730 HG13 ILE 91 HG11 ILE 91 -0.646 -4.540 -4.881 731 HG21 ILE 91 HG21 ILE 91 0.803 -1.605 -6.716 732 HG22 ILE 91 HG22 ILE 91 1.715 -2.601 -7.851 733 HG23 ILE 91 HG23 ILE 91 2.166 -2.566 -6.147 734 HD11 ILE 91 HD11 ILE 91 1.503 -5.442 -4.524 735 HD12 ILE 91 HD12 ILE 91 1.398 -4.153 -3.328 736 HD13 ILE 91 HD13 ILE 91 2.302 -3.897 -4.817 737 H GLU 92 HN GLU 92 -1.088 -1.245 -8.480 738 HA GLU 92 HA GLU 92 -0.302 -2.395 -11.146 739 HB2 GLU 92 HB2 GLU 92 -2.676 -1.807 -11.163 740 HB3 GLU 92 HB1 GLU 92 -2.306 -0.197 -10.553 741 HG2 GLU 92 HG2 GLU 92 -1.062 0.353 -12.552 742 HG3 GLU 92 HG1 GLU 92 -1.214 -1.301 -13.149 743 H LYS 93 HN LYS 93 1.574 -1.629 -11.759 744 HA LYS 93 HA LYS 93 2.834 0.685 -10.527 745 HB2 LYS 93 HB2 LYS 93 4.093 -1.316 -11.294 746 HB3 LYS 93 HB1 LYS 93 3.678 -0.923 -12.961 747 HG2 LYS 93 HG2 LYS 93 4.798 1.286 -12.696 748 HG3 LYS 93 HG1 LYS 93 5.258 0.831 -11.060 749 HD2 LYS 93 HD2 LYS 93 5.985 -0.902 -13.427 750 HD3 LYS 93 HD1 LYS 93 6.995 0.464 -12.956 751 HE2 LYS 93 HE2 LYS 93 7.077 -0.522 -10.622 752 HE3 LYS 93 HE1 LYS 93 6.282 -1.953 -11.270 753 HZ1 LYS 93 HZ1 LYS 93 8.581 -1.033 -12.757 754 HZ2 LYS 93 HZ2 LYS 93 8.118 -2.609 -12.325 755 HZ3 LYS 93 HZ3 LYS 93 8.916 -1.617 -11.201 756 H LEU 94 HN LEU 94 2.821 2.721 -11.246 757 HA LEU 94 HA LEU 94 1.501 3.312 -13.873 758 HB2 LEU 94 HB2 LEU 94 1.825 5.107 -11.445 759 HB3 LEU 94 HB1 LEU 94 0.943 5.491 -12.923 760 HG LEU 94 HG LEU 94 0.272 3.199 -11.047 761 HD11 LEU 94 HD11 LEU 94 -0.846 5.985 -11.385 762 HD12 LEU 94 HD12 LEU 94 -0.391 5.153 -9.897 763 HD13 LEU 94 HD13 LEU 94 -1.850 4.674 -10.765 764 HD21 LEU 94 HD21 LEU 94 -0.861 4.178 -13.667 765 HD22 LEU 94 HD22 LEU 94 -1.907 3.366 -12.502 766 HD23 LEU 94 HD23 LEU 94 -0.513 2.527 -13.159 767 H SER 95 HN SER 95 2.494 4.544 -15.339 768 HA SER 95 HA SER 95 5.391 4.842 -15.150 769 HB2 SER 95 HB2 SER 95 5.215 5.596 -17.488 770 HB3 SER 95 HB1 SER 95 4.274 4.129 -17.246 771 HG SER 95 HG SER 95 3.444 6.753 -17.719 772 H GLU 96 HN GLU 96 2.820 6.676 -14.116 773 HA GLU 96 HA GLU 96 4.078 9.292 -14.630 774 HB2 GLU 96 HB2 GLU 96 1.477 8.691 -13.243 775 HB3 GLU 96 HB1 GLU 96 2.045 10.271 -13.789 776 HG2 GLU 96 HG2 GLU 96 2.120 9.392 -16.126 777 HG3 GLU 96 HG1 GLU 96 1.420 7.881 -15.546 778 HA PRO 97 HA PRO 97 5.745 8.716 -10.429 779 HB2 PRO 97 HB2 PRO 97 7.543 10.759 -10.488 780 HB3 PRO 97 HB1 PRO 97 7.825 9.216 -11.320 781 HG2 PRO 97 HG2 PRO 97 6.927 11.834 -12.438 782 HG3 PRO 97 HG1 PRO 97 8.039 10.632 -13.125 783 HD2 PRO 97 HD2 PRO 97 5.393 10.897 -13.857 784 HD3 PRO 97 HD1 PRO 97 6.335 9.394 -14.047 785 H ILE 98 HN ILE 98 5.617 9.873 -8.444 786 HA ILE 98 HA ILE 98 3.689 12.166 -8.508 787 HB ILE 98 HB ILE 98 4.319 10.201 -6.285 788 HG12 ILE 98 HG12 ILE 98 1.807 10.521 -7.957 789 HG13 ILE 98 HG11 ILE 98 3.060 9.333 -8.316 790 HG21 ILE 98 HG21 ILE 98 3.657 12.308 -5.328 791 HG22 ILE 98 HG22 ILE 98 2.234 11.267 -5.295 792 HG23 ILE 98 HG23 ILE 98 2.383 12.518 -6.529 793 HD11 ILE 98 HD11 ILE 98 2.762 8.513 -5.904 794 HD12 ILE 98 HD12 ILE 98 1.441 8.168 -7.016 795 HD13 ILE 98 HD13 ILE 98 1.298 9.496 -5.865 796 H GLU 99 HN GLU 99 4.324 14.073 -7.836 797 HA GLU 99 HA GLU 99 7.078 14.496 -6.945 798 HB2 GLU 99 HB2 GLU 99 4.774 16.426 -7.405 799 HB3 GLU 99 HB1 GLU 99 6.418 16.911 -6.998 800 HG2 GLU 99 HG2 GLU 99 6.449 17.047 -9.336 801 HG3 GLU 99 HG1 GLU 99 7.107 15.437 -9.063 802 H VAL 100 HN VAL 100 7.682 14.476 -4.924 803 HA VAL 100 HA VAL 100 5.662 14.859 -2.743 804 HB VAL 100 HB VAL 100 7.339 13.705 -1.314 805 HG11 VAL 100 HG11 VAL 100 5.582 12.414 -2.492 806 HG12 VAL 100 HG12 VAL 100 7.062 11.474 -2.306 807 HG13 VAL 100 HG13 VAL 100 6.671 12.202 -3.864 808 HG21 VAL 100 HG21 VAL 100 8.872 13.477 -3.926 809 HG22 VAL 100 HG22 VAL 100 9.254 12.564 -2.468 810 HG23 VAL 100 HG23 VAL 100 9.396 14.322 -2.468 811 H GLY 101 HN GLY 101 8.016 16.472 -4.443 812 HA2 GLY 101 HA2 GLY 101 8.133 18.636 -2.498 813 HA3 GLY 101 HA1 GLY 101 9.684 17.823 -2.701 814 H LEU 102 HN LEU 102 7.886 20.355 -3.764 815 HA LEU 102 HA LEU 102 8.725 20.307 -6.599 816 HB2 LEU 102 HB2 LEU 102 7.058 22.165 -4.887 817 HB3 LEU 102 HB1 LEU 102 7.621 22.671 -6.481 818 HG LEU 102 HG LEU 102 6.543 20.730 -7.513 819 HD11 LEU 102 HD11 LEU 102 6.684 19.030 -5.865 820 HD12 LEU 102 HD12 LEU 102 4.961 19.389 -5.970 821 HD13 LEU 102 HD13 LEU 102 5.918 20.039 -4.638 822 HD21 LEU 102 HD21 LEU 102 4.613 22.093 -5.611 823 HD22 LEU 102 HD22 LEU 102 4.236 21.402 -7.191 824 HD23 LEU 102 HD23 LEU 102 5.243 22.846 -7.077 825 H GLU 103 HN GLU 103 10.181 21.030 -3.711 826 HA GLU 103 HA GLU 103 11.493 23.507 -4.089 827 HB2 GLU 103 HB2 GLU 103 12.496 20.982 -2.727 828 HB3 GLU 103 HB1 GLU 103 13.250 22.570 -2.571 829 HG2 GLU 103 HG2 GLU 103 10.352 22.015 -1.883 830 HG3 GLU 103 HG1 GLU 103 11.657 22.004 -0.697 831 H HIS 104 HN HIS 104 13.306 24.128 -5.162 832 HA HIS 104 HA HIS 104 14.111 22.584 -7.481 833 HB2 HIS 104 HB2 HIS 104 15.565 24.462 -7.981 834 HB3 HIS 104 HB1 HIS 104 14.034 25.104 -7.393 835 HD1 HIS 104 HD1 HIS 104 17.249 26.123 -7.123 836 HD2 HIS 104 HD2 HIS 104 14.571 24.943 -4.154 837 HE1 HIS 104 HE1 HIS 104 18.085 27.138 -4.959 838 H HIS 105 HN HIS 105 15.068 22.669 -4.229 839 HA HIS 105 HA HIS 105 17.864 22.009 -4.517 840 HB2 HIS 105 HB2 HIS 105 17.091 22.895 -2.403 841 HB3 HIS 105 HB1 HIS 105 15.898 21.606 -2.236 842 HD1 HIS 105 HD1 HIS 105 16.770 19.241 -1.582 843 HD2 HIS 105 HD2 HIS 105 19.765 22.133 -1.797 844 HE1 HIS 105 HE1 HIS 105 18.834 18.215 -0.531 845 H HIS 106 HN HIS 106 18.787 20.098 -4.908 846 HA HIS 106 HA HIS 106 17.033 17.671 -5.124 847 HB2 HIS 106 HB2 HIS 106 19.575 18.421 -6.604 848 HB3 HIS 106 HB1 HIS 106 18.767 16.859 -6.734 849 HD1 HIS 106 HD1 HIS 106 18.332 20.497 -7.602 850 HD2 HIS 106 HD2 HIS 106 16.378 16.872 -8.250 851 HE1 HIS 106 HE1 HIS 106 16.581 20.935 -9.380 852 H HIS 107 HN HIS 107 17.788 15.740 -4.323 853 HA HIS 107 HA HIS 107 19.462 15.900 -1.970 854 HB2 HIS 107 HB2 HIS 107 18.272 13.515 -3.425 855 HB3 HIS 107 HB1 HIS 107 19.071 13.436 -1.855 856 HD1 HIS 107 HD1 HIS 107 15.821 13.314 -2.958 857 HD2 HIS 107 HD2 HIS 107 17.694 15.885 -0.261 858 HE1 HIS 107 HE1 HIS 107 13.986 14.304 -1.519 859 H HIS 108 HN HIS 108 21.487 15.085 -1.646 860 HA HIS 108 HA HIS 108 22.946 13.760 -3.836 861 HB2 HIS 108 HB2 HIS 108 24.770 15.418 -3.815 862 HB3 HIS 108 HB1 HIS 108 23.256 16.149 -4.336 863 HD1 HIS 108 HD1 HIS 108 21.905 17.469 -2.351 864 HD2 HIS 108 HD2 HIS 108 25.945 16.708 -1.661 865 HE1 HIS 108 HE1 HIS 108 22.619 19.023 -0.482 866 H HIS 109 HN HIS 109 25.122 13.084 -3.107 867 HA HIS 109 HA HIS 109 25.795 13.125 -0.280 868 HB2 HIS 109 HB2 HIS 109 23.918 11.465 -0.339 869 HB3 HIS 109 HB1 HIS 109 24.868 10.486 -1.458 870 HD1 HIS 109 HD1 HIS 109 26.657 9.001 -0.465 871 HD2 HIS 109 HD2 HIS 109 25.187 11.760 2.292 872 HE1 HIS 109 HE1 HIS 109 27.662 8.380 1.775 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -16.484 0.854 -10.416 2 H2 MET 1 HT2 MET 1 -17.971 1.342 -9.752 3 H3 MET 1 HT3 MET 1 -16.534 1.550 -8.871 4 HA MET 1 HA MET 1 -16.716 2.819 -11.496 5 HB2 MET 1 HB2 MET 1 -18.893 3.307 -10.382 6 HB3 MET 1 HB1 MET 1 -18.014 3.940 -8.992 7 HG2 MET 1 HG2 MET 1 -18.680 5.794 -10.432 8 HG3 MET 1 HG1 MET 1 -16.928 5.619 -10.494 9 HE1 MET 1 HE1 MET 1 -19.967 6.229 -12.760 10 HE2 MET 1 HE2 MET 1 -20.250 4.723 -11.890 11 HE3 MET 1 HE3 MET 1 -20.077 4.699 -13.643 12 H GLU 2 HN GLU 2 -14.446 2.732 -11.364 13 HA GLU 2 HA GLU 2 -12.325 3.472 -10.815 14 HB2 GLU 2 HB2 GLU 2 -14.039 5.765 -9.855 15 HB3 GLU 2 HB1 GLU 2 -12.289 5.805 -9.673 16 HG2 GLU 2 HG2 GLU 2 -13.654 5.251 -12.317 17 HG3 GLU 2 HG1 GLU 2 -13.174 6.869 -11.803 18 HA PRO 3 HA PRO 3 -11.520 1.951 -6.738 19 HB2 PRO 3 HB2 PRO 3 -8.987 2.924 -6.300 20 HB3 PRO 3 HB1 PRO 3 -9.337 1.583 -7.408 21 HG2 PRO 3 HG2 PRO 3 -8.889 4.474 -8.026 22 HG3 PRO 3 HG1 PRO 3 -8.274 3.033 -8.862 23 HD2 PRO 3 HD2 PRO 3 -10.405 4.436 -9.800 24 HD3 PRO 3 HD1 PRO 3 -10.272 2.676 -10.005 25 H GLN 4 HN GLN 4 -11.657 2.581 -4.566 26 HA GLN 4 HA GLN 4 -12.508 5.324 -4.078 27 HB2 GLN 4 HB2 GLN 4 -12.089 2.947 -2.240 28 HB3 GLN 4 HB1 GLN 4 -12.739 4.499 -1.707 29 HG2 GLN 4 HG2 GLN 4 -14.584 4.300 -3.322 30 HG3 GLN 4 HG1 GLN 4 -13.929 2.765 -3.892 31 HE21 GLN 4 HE21 GLN 4 -16.229 4.035 -1.820 32 HE22 GLN 4 HE22 GLN 4 -16.380 2.727 -0.749 33 H LEU 5 HN LEU 5 -10.669 6.602 -4.478 34 HA LEU 5 HA LEU 5 -8.096 6.058 -3.268 35 HB2 LEU 5 HB2 LEU 5 -9.195 8.657 -4.383 36 HB3 LEU 5 HB1 LEU 5 -7.495 8.279 -4.107 37 HG LEU 5 HG LEU 5 -9.335 6.775 -5.993 38 HD11 LEU 5 HD11 LEU 5 -8.632 9.162 -6.625 39 HD12 LEU 5 HD12 LEU 5 -8.247 7.893 -7.786 40 HD13 LEU 5 HD13 LEU 5 -6.987 8.532 -6.730 41 HD21 LEU 5 HD21 LEU 5 -6.950 5.950 -6.765 42 HD22 LEU 5 HD22 LEU 5 -7.713 5.201 -5.369 43 HD23 LEU 5 HD23 LEU 5 -6.463 6.423 -5.136 44 H THR 6 HN THR 6 -7.495 6.451 -1.224 45 HA THR 6 HA THR 6 -8.990 8.524 0.355 46 HB THR 6 HB THR 6 -7.993 5.831 1.331 47 HG1 THR 6 HG1 THR 6 -9.884 5.257 0.662 48 HG21 THR 6 HG21 THR 6 -7.747 7.376 3.119 49 HG22 THR 6 HG22 THR 6 -9.297 6.583 3.401 50 HG23 THR 6 HG23 THR 6 -9.249 8.204 2.708 51 H LYS 7 HN LYS 7 -7.706 9.980 1.342 52 HA LYS 7 HA LYS 7 -4.853 9.945 0.843 53 HB2 LYS 7 HB2 LYS 7 -6.599 11.771 2.516 54 HB3 LYS 7 HB1 LYS 7 -4.892 12.063 2.176 55 HG2 LYS 7 HG2 LYS 7 -5.357 12.091 -0.236 56 HG3 LYS 7 HG1 LYS 7 -7.058 11.751 0.076 57 HD2 LYS 7 HD2 LYS 7 -7.212 13.866 1.383 58 HD3 LYS 7 HD1 LYS 7 -5.537 14.220 0.957 59 HE2 LYS 7 HE2 LYS 7 -7.735 13.751 -1.077 60 HE3 LYS 7 HE1 LYS 7 -7.215 15.347 -0.540 61 HZ1 LYS 7 HZ1 LYS 7 -5.987 14.938 -2.459 62 HZ2 LYS 7 HZ2 LYS 7 -5.675 13.321 -2.043 63 HZ3 LYS 7 HZ3 LYS 7 -4.902 14.581 -1.205 64 H ILE 8 HN ILE 8 -3.180 9.913 2.454 65 HA ILE 8 HA ILE 8 -3.444 7.893 4.450 66 HB ILE 8 HB ILE 8 -1.392 10.096 4.090 67 HG12 ILE 8 HG12 ILE 8 -1.220 7.127 3.472 68 HG13 ILE 8 HG11 ILE 8 -1.649 8.347 2.274 69 HG21 ILE 8 HG21 ILE 8 -1.176 9.452 6.360 70 HG22 ILE 8 HG22 ILE 8 0.029 8.479 5.518 71 HG23 ILE 8 HG23 ILE 8 -1.506 7.760 6.001 72 HD11 ILE 8 HD11 ILE 8 0.974 7.973 3.714 73 HD12 ILE 8 HD12 ILE 8 0.557 9.525 2.991 74 HD13 ILE 8 HD13 ILE 8 0.679 8.086 1.981 75 H VAL 9 HN VAL 9 -3.420 11.438 4.677 76 HA VAL 9 HA VAL 9 -3.599 11.600 7.522 77 HB VAL 9 HB VAL 9 -2.971 13.467 5.978 78 HG11 VAL 9 HG11 VAL 9 -4.656 14.650 4.748 79 HG12 VAL 9 HG12 VAL 9 -5.947 13.705 5.490 80 HG13 VAL 9 HG13 VAL 9 -4.840 12.942 4.349 81 HG21 VAL 9 HG21 VAL 9 -3.734 13.842 8.347 82 HG22 VAL 9 HG22 VAL 9 -5.359 14.127 7.725 83 HG23 VAL 9 HG23 VAL 9 -4.041 15.209 7.277 84 H ASP 10 HN ASP 10 -5.977 10.914 5.073 85 HA ASP 10 HA ASP 10 -8.292 11.581 6.706 86 HB2 ASP 10 HB2 ASP 10 -8.251 11.482 4.179 87 HB3 ASP 10 HB1 ASP 10 -8.151 9.728 4.311 88 H ILE 11 HN ILE 11 -6.022 9.102 6.882 89 HA ILE 11 HA ILE 11 -7.893 6.982 7.687 90 HB ILE 11 HB ILE 11 -4.866 7.156 7.771 91 HG12 ILE 11 HG12 ILE 11 -6.703 5.505 6.013 92 HG13 ILE 11 HG11 ILE 11 -6.032 7.061 5.525 93 HG21 ILE 11 HG21 ILE 11 -5.090 4.633 8.111 94 HG22 ILE 11 HG22 ILE 11 -6.780 4.930 8.513 95 HG23 ILE 11 HG23 ILE 11 -5.500 5.631 9.505 96 HD11 ILE 11 HD11 ILE 11 -3.737 6.133 5.946 97 HD12 ILE 11 HD12 ILE 11 -4.603 5.305 4.652 98 HD13 ILE 11 HD13 ILE 11 -4.477 4.562 6.246 99 H VAL 12 HN VAL 12 -8.764 6.910 9.664 100 HA VAL 12 HA VAL 12 -7.163 7.838 12.012 101 HB VAL 12 HB VAL 12 -9.308 8.783 12.958 102 HG11 VAL 12 HG11 VAL 12 -9.200 10.860 11.593 103 HG12 VAL 12 HG12 VAL 12 -8.255 9.994 10.383 104 HG13 VAL 12 HG13 VAL 12 -7.595 10.251 11.998 105 HG21 VAL 12 HG21 VAL 12 -10.839 7.546 11.434 106 HG22 VAL 12 HG22 VAL 12 -10.230 8.495 10.079 107 HG23 VAL 12 HG23 VAL 12 -11.122 9.285 11.378 108 H GLU 13 HN GLU 13 -8.761 5.355 10.524 109 HA GLU 13 HA GLU 13 -9.156 3.956 13.129 110 HB2 GLU 13 HB2 GLU 13 -11.373 4.804 12.298 111 HB3 GLU 13 HB1 GLU 13 -11.150 3.827 10.847 112 HG2 GLU 13 HG2 GLU 13 -12.497 2.544 12.383 113 HG3 GLU 13 HG1 GLU 13 -10.898 1.806 12.346 114 H ASN 14 HN ASN 14 -8.591 1.812 13.083 115 HA ASN 14 HA ASN 14 -7.116 0.901 10.699 116 HB2 ASN 14 HB2 ASN 14 -6.361 -0.927 12.137 117 HB3 ASN 14 HB1 ASN 14 -6.162 0.614 12.970 118 HD21 ASN 14 HD21 ASN 14 -6.225 -1.052 14.896 119 HD22 ASN 14 HD22 ASN 14 -7.756 -1.366 15.558 120 H GLY 15 HN GLY 15 -7.480 -1.305 9.846 121 HA2 GLY 15 HA2 GLY 15 -8.853 -3.131 9.215 122 HA3 GLY 15 HA1 GLY 15 -10.072 -2.575 10.367 123 H GLN 16 HN GLN 16 -8.856 -0.122 8.346 124 HA GLN 16 HA GLN 16 -11.451 0.172 7.050 125 HB2 GLN 16 HB2 GLN 16 -8.865 1.722 7.022 126 HB3 GLN 16 HB1 GLN 16 -10.138 2.098 5.861 127 HG2 GLN 16 HG2 GLN 16 -11.735 2.380 7.755 128 HG3 GLN 16 HG1 GLN 16 -10.406 2.107 8.883 129 HE21 GLN 16 HE21 GLN 16 -11.936 4.455 6.830 130 HE22 GLN 16 HE22 GLN 16 -10.842 5.723 7.105 131 H TRP 17 HN TRP 17 -12.006 -0.454 5.046 132 HA TRP 17 HA TRP 17 -9.936 -1.789 3.349 133 HB2 TRP 17 HB2 TRP 17 -12.957 -2.039 3.459 134 HB3 TRP 17 HB1 TRP 17 -11.954 -2.810 2.229 135 HD1 TRP 17 HD1 TRP 17 -12.784 -2.936 5.944 136 HE1 TRP 17 HE1 TRP 17 -11.842 -5.120 6.939 137 HE3 TRP 17 HE3 TRP 17 -10.096 -4.635 1.950 138 HZ2 TRP 17 HZ2 TRP 17 -10.168 -7.301 6.144 139 HZ3 TRP 17 HZ3 TRP 17 -8.840 -6.765 2.094 140 HH2 TRP 17 HH2 TRP 17 -8.872 -8.100 4.184 141 H ALA 18 HN ALA 18 -9.133 -0.258 1.952 142 HA ALA 18 HA ALA 18 -11.024 0.990 0.074 143 HB1 ALA 18 HB1 ALA 18 -10.813 2.533 2.145 144 HB2 ALA 18 HB2 ALA 18 -10.548 3.260 0.560 145 HB3 ALA 18 HB3 ALA 18 -9.170 2.846 1.581 146 H ASN 19 HN ASN 19 -9.554 2.607 -1.365 147 HA ASN 19 HA ASN 19 -7.193 0.966 -2.188 148 HB2 ASN 19 HB2 ASN 19 -8.865 1.259 -3.924 149 HB3 ASN 19 HB1 ASN 19 -8.874 3.004 -3.677 150 HD21 ASN 19 HD21 ASN 19 -6.560 4.038 -3.943 151 HD22 ASN 19 HD22 ASN 19 -5.629 3.447 -5.233 152 H LEU 20 HN LEU 20 -5.163 1.902 -2.335 153 HA LEU 20 HA LEU 20 -4.897 4.809 -1.676 154 HB2 LEU 20 HB2 LEU 20 -3.336 2.517 -0.455 155 HB3 LEU 20 HB1 LEU 20 -2.970 4.224 -0.215 156 HG LEU 20 HG LEU 20 -5.639 2.954 0.466 157 HD11 LEU 20 HD11 LEU 20 -3.647 2.119 1.817 158 HD12 LEU 20 HD12 LEU 20 -4.935 2.877 2.751 159 HD13 LEU 20 HD13 LEU 20 -3.460 3.774 2.396 160 HD21 LEU 20 HD21 LEU 20 -6.038 5.258 0.225 161 HD22 LEU 20 HD22 LEU 20 -4.437 5.704 0.809 162 HD23 LEU 20 HD23 LEU 20 -5.662 5.133 1.939 163 H LYS 21 HN LYS 21 -3.063 5.807 -2.520 164 HA LYS 21 HA LYS 21 -1.389 4.213 -4.417 165 HB2 LYS 21 HB2 LYS 21 -3.121 5.303 -5.756 166 HB3 LYS 21 HB1 LYS 21 -2.776 6.850 -4.982 167 HG2 LYS 21 HG2 LYS 21 -0.591 6.956 -5.960 168 HG3 LYS 21 HG1 LYS 21 -0.686 5.282 -6.505 169 HD2 LYS 21 HD2 LYS 21 -1.100 6.761 -8.396 170 HD3 LYS 21 HD1 LYS 21 -2.589 5.913 -7.987 171 HE2 LYS 21 HE2 LYS 21 -3.529 7.828 -6.952 172 HE3 LYS 21 HE1 LYS 21 -1.966 8.640 -6.846 173 HZ1 LYS 21 HZ1 LYS 21 -2.148 8.257 -9.466 174 HZ2 LYS 21 HZ2 LYS 21 -2.715 9.657 -8.690 175 HZ3 LYS 21 HZ3 LYS 21 -3.795 8.407 -9.091 176 H ALA 22 HN ALA 22 0.771 4.835 -4.395 177 HA ALA 22 HA ALA 22 1.601 7.442 -3.421 178 HB1 ALA 22 HB1 ALA 22 1.112 6.555 -1.246 179 HB2 ALA 22 HB2 ALA 22 2.863 6.512 -1.439 180 HB3 ALA 22 HB3 ALA 22 1.920 5.032 -1.623 181 H LYS 23 HN LYS 23 4.154 7.036 -2.701 182 HA LYS 23 HA LYS 23 5.364 5.470 -4.956 183 HB2 LYS 23 HB2 LYS 23 7.052 7.189 -5.153 184 HB3 LYS 23 HB1 LYS 23 5.469 7.956 -5.257 185 HG2 LYS 23 HG2 LYS 23 5.628 8.446 -2.788 186 HG3 LYS 23 HG1 LYS 23 7.292 7.865 -2.833 187 HD2 LYS 23 HD2 LYS 23 6.229 10.114 -4.569 188 HD3 LYS 23 HD1 LYS 23 7.103 10.357 -3.058 189 HE2 LYS 23 HE2 LYS 23 8.959 8.899 -4.106 190 HE3 LYS 23 HE1 LYS 23 8.126 9.165 -5.637 191 HZ1 LYS 23 HZ1 LYS 23 9.117 11.115 -5.775 192 HZ2 LYS 23 HZ2 LYS 23 9.849 10.903 -4.257 193 HZ3 LYS 23 HZ3 LYS 23 8.316 11.627 -4.371 194 H VAL 24 HN VAL 24 7.212 4.287 -4.493 195 HA VAL 24 HA VAL 24 7.588 3.648 -1.651 196 HB VAL 24 HB VAL 24 8.896 2.582 -4.167 197 HG11 VAL 24 HG11 VAL 24 10.462 2.237 -2.388 198 HG12 VAL 24 HG12 VAL 24 9.595 0.713 -2.572 199 HG13 VAL 24 HG13 VAL 24 9.182 1.809 -1.253 200 HG21 VAL 24 HG21 VAL 24 6.932 1.251 -2.287 201 HG22 VAL 24 HG22 VAL 24 7.427 0.711 -3.891 202 HG23 VAL 24 HG23 VAL 24 6.419 2.149 -3.716 203 H ILE 25 HN ILE 25 9.134 4.452 -0.363 204 HA ILE 25 HA ILE 25 11.256 6.184 -1.557 205 HB ILE 25 HB ILE 25 10.162 5.944 1.263 206 HG12 ILE 25 HG12 ILE 25 10.119 8.287 -0.663 207 HG13 ILE 25 HG11 ILE 25 8.790 7.139 -0.505 208 HG21 ILE 25 HG21 ILE 25 12.456 6.462 1.554 209 HG22 ILE 25 HG22 ILE 25 11.648 8.028 1.591 210 HG23 ILE 25 HG23 ILE 25 12.490 7.505 0.133 211 HD11 ILE 25 HD11 ILE 25 9.867 8.463 1.974 212 HD12 ILE 25 HD12 ILE 25 8.244 7.857 1.644 213 HD13 ILE 25 HD13 ILE 25 8.785 9.366 0.916 214 H GLN 26 HN GLN 26 10.833 3.703 0.991 215 HA GLN 26 HA GLN 26 13.492 2.591 0.278 216 HB2 GLN 26 HB2 GLN 26 13.912 4.229 2.103 217 HB3 GLN 26 HB1 GLN 26 12.739 3.384 3.113 218 HG2 GLN 26 HG2 GLN 26 14.090 1.330 2.997 219 HG3 GLN 26 HG1 GLN 26 15.251 2.142 1.948 220 HE21 GLN 26 HE21 GLN 26 17.039 2.887 3.072 221 HE22 GLN 26 HE22 GLN 26 17.039 3.397 4.690 222 H LEU 27 HN LEU 27 13.637 0.386 0.705 223 HA LEU 27 HA LEU 27 11.276 -0.925 1.995 224 HB2 LEU 27 HB2 LEU 27 11.651 -2.759 0.204 225 HB3 LEU 27 HB1 LEU 27 10.798 -1.294 -0.275 226 HG LEU 27 HG LEU 27 13.788 -1.279 -0.571 227 HD11 LEU 27 HD11 LEU 27 11.908 -2.897 -2.303 228 HD12 LEU 27 HD12 LEU 27 13.385 -3.439 -1.505 229 HD13 LEU 27 HD13 LEU 27 13.477 -2.328 -2.872 230 HD21 LEU 27 HD21 LEU 27 12.102 0.611 -1.167 231 HD22 LEU 27 HD22 LEU 27 11.681 -0.391 -2.552 232 HD23 LEU 27 HD23 LEU 27 13.331 0.201 -2.362 233 H TRP 28 HN TRP 28 11.828 -2.456 3.447 234 HA TRP 28 HA TRP 28 14.700 -3.318 3.575 235 HB2 TRP 28 HB2 TRP 28 12.597 -2.920 5.716 236 HB3 TRP 28 HB1 TRP 28 14.103 -3.794 6.010 237 HD1 TRP 28 HD1 TRP 28 12.687 -0.340 5.685 238 HE1 TRP 28 HE1 TRP 28 14.565 1.405 5.966 239 HE3 TRP 28 HE3 TRP 28 16.768 -3.402 5.498 240 HZ2 TRP 28 HZ2 TRP 28 17.424 1.488 6.096 241 HZ3 TRP 28 HZ3 TRP 28 19.053 -2.466 5.702 242 HH2 TRP 28 HH2 TRP 28 19.386 -0.028 6.000 243 H GLU 29 HN GLU 29 15.129 -5.478 3.488 244 HA GLU 29 HA GLU 29 12.861 -7.296 2.951 245 HB2 GLU 29 HB2 GLU 29 14.832 -7.309 1.453 246 HB3 GLU 29 HB1 GLU 29 15.850 -7.779 2.813 247 HG2 GLU 29 HG2 GLU 29 14.581 -9.855 3.090 248 HG3 GLU 29 HG1 GLU 29 13.480 -9.377 1.797 249 H ASN 30 HN ASN 30 12.216 -8.920 4.299 250 HA ASN 30 HA ASN 30 13.558 -9.067 6.969 251 HB2 ASN 30 HB2 ASN 30 11.486 -9.890 7.822 252 HB3 ASN 30 HB1 ASN 30 11.072 -8.543 6.763 253 HD21 ASN 30 HD21 ASN 30 9.579 -11.150 7.527 254 HD22 ASN 30 HD22 ASN 30 9.113 -11.797 6.028 255 H THR 31 HN THR 31 13.226 -11.404 7.946 256 HA THR 31 HA THR 31 14.379 -13.337 5.971 257 HB THR 31 HB THR 31 14.447 -13.282 9.006 258 HG1 THR 31 HG1 THR 31 15.866 -12.019 7.205 259 HG21 THR 31 HG21 THR 31 16.206 -15.103 8.585 260 HG22 THR 31 HG22 THR 31 15.516 -15.234 6.968 261 HG23 THR 31 HG23 THR 31 14.517 -15.569 8.383 262 H HIS 32 HN HIS 32 11.524 -12.626 7.689 263 HA HIS 32 HA HIS 32 10.654 -15.404 8.023 264 HB2 HIS 32 HB2 HIS 32 9.148 -12.785 8.288 265 HB3 HIS 32 HB1 HIS 32 8.503 -14.369 8.718 266 HD1 HIS 32 HD1 HIS 32 9.965 -15.711 10.593 267 HD2 HIS 32 HD2 HIS 32 10.646 -11.607 10.310 268 HE1 HIS 32 HE1 HIS 32 11.146 -15.032 12.727 269 H GLU 33 HN GLU 33 9.370 -16.560 6.647 270 HA GLU 33 HA GLU 33 9.108 -15.717 3.897 271 HB2 GLU 33 HB2 GLU 33 7.935 -18.052 5.435 272 HB3 GLU 33 HB1 GLU 33 7.763 -17.843 3.691 273 HG2 GLU 33 HG2 GLU 33 10.202 -17.872 3.422 274 HG3 GLU 33 HG1 GLU 33 10.409 -18.006 5.168 275 H SER 34 HN SER 34 6.961 -15.695 6.685 276 HA SER 34 HA SER 34 4.471 -15.382 5.376 277 HB2 SER 34 HB2 SER 34 3.708 -14.352 7.461 278 HB3 SER 34 HB1 SER 34 4.758 -15.719 7.825 279 HG SER 34 HG SER 34 5.727 -13.072 7.586 280 H ILE 35 HN ILE 35 7.015 -13.031 6.068 281 HA ILE 35 HA ILE 35 5.469 -10.978 4.515 282 HB ILE 35 HB ILE 35 7.387 -10.593 6.826 283 HG12 ILE 35 HG12 ILE 35 4.485 -9.781 6.544 284 HG13 ILE 35 HG11 ILE 35 4.988 -11.299 7.288 285 HG21 ILE 35 HG21 ILE 35 7.850 -8.778 5.398 286 HG22 ILE 35 HG22 ILE 35 6.595 -8.136 6.457 287 HG23 ILE 35 HG23 ILE 35 6.185 -8.679 4.829 288 HD11 ILE 35 HD11 ILE 35 4.637 -9.503 8.972 289 HD12 ILE 35 HD12 ILE 35 5.892 -8.547 8.184 290 HD13 ILE 35 HD13 ILE 35 6.302 -10.081 8.953 291 H SER 36 HN SER 36 6.470 -10.138 2.777 292 HA SER 36 HA SER 36 9.086 -11.229 2.003 293 HB2 SER 36 HB2 SER 36 7.223 -11.008 0.365 294 HB3 SER 36 HB1 SER 36 7.278 -9.258 0.565 295 HG SER 36 HG SER 36 9.311 -10.979 -0.425 296 H GLN 37 HN GLN 37 7.850 -7.873 1.763 297 HA GLN 37 HA GLN 37 10.404 -6.923 3.018 298 HB2 GLN 37 HB2 GLN 37 9.099 -5.823 0.509 299 HB3 GLN 37 HB1 GLN 37 10.512 -5.140 1.317 300 HG2 GLN 37 HG2 GLN 37 11.669 -7.351 0.999 301 HG3 GLN 37 HG1 GLN 37 10.298 -7.873 0.030 302 HE21 GLN 37 HE21 GLN 37 10.028 -6.925 -2.089 303 HE22 GLN 37 HE22 GLN 37 11.235 -5.973 -2.807 304 H VAL 38 HN VAL 38 10.274 -4.813 3.937 305 HA VAL 38 HA VAL 38 7.543 -3.676 4.312 306 HB VAL 38 HB VAL 38 7.836 -5.075 6.266 307 HG11 VAL 38 HG11 VAL 38 10.307 -5.340 6.033 308 HG12 VAL 38 HG12 VAL 38 9.822 -4.949 7.682 309 HG13 VAL 38 HG13 VAL 38 10.514 -3.700 6.647 310 HG21 VAL 38 HG21 VAL 38 7.064 -2.639 6.526 311 HG22 VAL 38 HG22 VAL 38 8.684 -2.304 7.138 312 HG23 VAL 38 HG23 VAL 38 7.637 -3.439 7.990 313 H GLY 39 HN GLY 39 7.577 -1.427 4.428 314 HA2 GLY 39 HA2 GLY 39 9.996 0.036 5.094 315 HA3 GLY 39 HA1 GLY 39 9.696 0.031 3.359 316 H LEU 40 HN LEU 40 9.235 2.254 3.239 317 HA LEU 40 HA LEU 40 6.589 3.032 4.403 318 HB2 LEU 40 HB2 LEU 40 7.705 5.403 4.539 319 HB3 LEU 40 HB1 LEU 40 7.990 4.241 5.830 320 HG LEU 40 HG LEU 40 9.880 4.145 3.499 321 HD11 LEU 40 HD11 LEU 40 9.744 6.546 3.836 322 HD12 LEU 40 HD12 LEU 40 11.260 5.959 4.519 323 HD13 LEU 40 HD13 LEU 40 9.907 6.348 5.581 324 HD21 LEU 40 HD21 LEU 40 10.480 4.132 6.465 325 HD22 LEU 40 HD22 LEU 40 11.443 3.454 5.153 326 HD23 LEU 40 HD23 LEU 40 9.932 2.682 5.626 327 H LEU 41 HN LEU 41 5.406 4.552 3.164 328 HA LEU 41 HA LEU 41 6.343 4.841 0.323 329 HB2 LEU 41 HB2 LEU 41 3.495 4.757 1.362 330 HB3 LEU 41 HB1 LEU 41 4.004 4.805 -0.325 331 HG LEU 41 HG LEU 41 4.640 2.583 1.629 332 HD11 LEU 41 HD11 LEU 41 2.755 2.642 -0.743 333 HD12 LEU 41 HD12 LEU 41 2.255 2.687 0.949 334 HD13 LEU 41 HD13 LEU 41 3.063 1.257 0.305 335 HD21 LEU 41 HD21 LEU 41 6.411 2.571 0.069 336 HD22 LEU 41 HD22 LEU 41 5.369 3.103 -1.253 337 HD23 LEU 41 HD23 LEU 41 5.255 1.452 -0.649 338 H GLY 42 HN GLY 42 6.546 6.854 -0.423 339 HA2 GLY 42 HA2 GLY 42 6.071 9.102 1.370 340 HA3 GLY 42 HA1 GLY 42 6.783 9.189 -0.236 341 H ASP 43 HN ASP 43 4.879 11.016 0.688 342 HA ASP 43 HA ASP 43 3.013 11.022 -1.479 343 HB2 ASP 43 HB2 ASP 43 1.934 9.267 -0.035 344 HB3 ASP 43 HB1 ASP 43 1.788 10.475 1.242 345 H GLU 44 HN GLU 44 2.021 13.067 -1.627 346 HA GLU 44 HA GLU 44 3.291 15.249 -0.352 347 HB2 GLU 44 HB2 GLU 44 0.583 15.053 -1.701 348 HB3 GLU 44 HB1 GLU 44 1.337 16.577 -1.229 349 HG2 GLU 44 HG2 GLU 44 3.268 16.100 -2.661 350 HG3 GLU 44 HG1 GLU 44 2.587 14.530 -3.088 351 H THR 45 HN THR 45 0.875 13.137 0.857 352 HA THR 45 HA THR 45 -0.096 15.108 2.857 353 HB THR 45 HB THR 45 -1.723 13.423 3.455 354 HG1 THR 45 HG1 THR 45 -1.462 11.430 1.971 355 HG21 THR 45 HG21 THR 45 -2.200 14.694 1.416 356 HG22 THR 45 HG22 THR 45 -2.796 13.042 1.250 357 HG23 THR 45 HG23 THR 45 -1.297 13.523 0.456 358 H GLY 46 HN GLY 46 2.435 12.876 2.549 359 HA2 GLY 46 HA2 GLY 46 3.884 13.146 4.717 360 HA3 GLY 46 HA1 GLY 46 2.525 12.336 5.491 361 H ILE 47 HN ILE 47 3.990 10.624 6.080 362 HA ILE 47 HA ILE 47 4.603 8.735 3.825 363 HB ILE 47 HB ILE 47 6.546 7.970 5.148 364 HG12 ILE 47 HG12 ILE 47 5.913 10.309 6.982 365 HG13 ILE 47 HG11 ILE 47 5.632 8.620 7.397 366 HG21 ILE 47 HG21 ILE 47 7.973 9.768 4.583 367 HG22 ILE 47 HG22 ILE 47 6.723 10.973 4.892 368 HG23 ILE 47 HG23 ILE 47 6.613 9.932 3.475 369 HD11 ILE 47 HD11 ILE 47 8.277 9.982 6.878 370 HD12 ILE 47 HD12 ILE 47 8.107 8.227 6.887 371 HD13 ILE 47 HD13 ILE 47 7.751 9.156 8.343 372 H ILE 48 HN ILE 48 4.364 6.477 4.360 373 HA ILE 48 HA ILE 48 3.121 5.835 6.976 374 HB ILE 48 HB ILE 48 1.238 6.448 5.467 375 HG12 ILE 48 HG12 ILE 48 1.327 3.465 5.985 376 HG13 ILE 48 HG11 ILE 48 1.122 4.654 7.272 377 HG21 ILE 48 HG21 ILE 48 2.502 5.614 3.391 378 HG22 ILE 48 HG22 ILE 48 0.786 5.214 3.480 379 HG23 ILE 48 HG23 ILE 48 1.999 3.994 3.872 380 HD11 ILE 48 HD11 ILE 48 -0.675 4.422 4.843 381 HD12 ILE 48 HD12 ILE 48 -0.899 5.512 6.211 382 HD13 ILE 48 HD13 ILE 48 -1.056 3.771 6.437 383 H LYS 49 HN LYS 49 3.269 3.632 7.512 384 HA LYS 49 HA LYS 49 5.412 2.194 6.134 385 HB2 LYS 49 HB2 LYS 49 3.730 1.521 8.557 386 HB3 LYS 49 HB1 LYS 49 5.089 0.549 7.988 387 HG2 LYS 49 HG2 LYS 49 5.506 3.494 8.475 388 HG3 LYS 49 HG1 LYS 49 5.456 2.405 9.857 389 HD2 LYS 49 HD2 LYS 49 7.203 1.672 7.514 390 HD3 LYS 49 HD1 LYS 49 7.757 2.917 8.631 391 HE2 LYS 49 HE2 LYS 49 7.560 1.391 10.513 392 HE3 LYS 49 HE1 LYS 49 6.850 0.151 9.478 393 HZ1 LYS 49 HZ1 LYS 49 8.837 -0.420 8.666 394 HZ2 LYS 49 HZ2 LYS 49 9.472 0.373 10.028 395 HZ3 LYS 49 HZ3 LYS 49 9.374 1.184 8.539 396 H PHE 50 HN PHE 50 5.197 0.141 5.137 397 HA PHE 50 HA PHE 50 2.443 -0.921 4.776 398 HB2 PHE 50 HB2 PHE 50 2.551 -0.916 2.399 399 HB3 PHE 50 HB1 PHE 50 3.036 0.705 2.888 400 HD1 PHE 50 HD1 PHE 50 5.600 1.133 3.171 401 HD2 PHE 50 HD2 PHE 50 3.950 -2.200 1.020 402 HE1 PHE 50 HE1 PHE 50 7.745 0.848 1.953 403 HE2 PHE 50 HE2 PHE 50 6.095 -2.486 -0.185 404 HZ PHE 50 HZ PHE 50 7.992 -0.962 0.281 405 H THR 51 HN THR 51 2.424 -3.121 4.108 406 HA THR 51 HA THR 51 5.058 -4.537 4.161 407 HB THR 51 HB THR 51 2.562 -5.384 5.663 408 HG1 THR 51 HG1 THR 51 4.885 -4.935 7.028 409 HG21 THR 51 HG21 THR 51 5.298 -6.589 5.271 410 HG22 THR 51 HG22 THR 51 3.727 -7.341 4.996 411 HG23 THR 51 HG23 THR 51 4.280 -7.027 6.641 412 H ILE 52 HN ILE 52 5.211 -6.118 2.628 413 HA ILE 52 HA ILE 52 2.805 -6.596 0.920 414 HB ILE 52 HB ILE 52 5.742 -7.154 0.405 415 HG12 ILE 52 HG12 ILE 52 3.908 -5.060 -0.793 416 HG13 ILE 52 HG11 ILE 52 5.039 -4.732 0.517 417 HG21 ILE 52 HG21 ILE 52 4.893 -7.468 -1.956 418 HG22 ILE 52 HG22 ILE 52 3.255 -7.443 -1.305 419 HG23 ILE 52 HG23 ILE 52 4.374 -8.720 -0.829 420 HD11 ILE 52 HD11 ILE 52 6.927 -5.290 -0.869 421 HD12 ILE 52 HD12 ILE 52 5.914 -4.180 -1.793 422 HD13 ILE 52 HD13 ILE 52 5.877 -5.907 -2.144 423 H TRP 53 HN TRP 53 1.785 -8.506 1.075 424 HA TRP 53 HA TRP 53 3.061 -10.698 2.626 425 HB2 TRP 53 HB2 TRP 53 0.221 -10.227 1.677 426 HB3 TRP 53 HB1 TRP 53 0.743 -11.673 2.546 427 HD1 TRP 53 HD1 TRP 53 0.145 -7.939 3.004 428 HE1 TRP 53 HE1 TRP 53 0.161 -7.390 5.522 429 HE3 TRP 53 HE3 TRP 53 1.683 -12.434 4.873 430 HZ2 TRP 53 HZ2 TRP 53 0.756 -8.686 8.003 431 HZ3 TRP 53 HZ3 TRP 53 1.969 -12.749 7.315 432 HH2 TRP 53 HH2 TRP 53 1.508 -10.882 8.880 433 H LYS 54 HN LYS 54 3.553 -12.662 1.708 434 HA LYS 54 HA LYS 54 3.742 -12.774 -1.203 435 HB2 LYS 54 HB2 LYS 54 4.407 -14.801 0.954 436 HB3 LYS 54 HB1 LYS 54 4.777 -15.001 -0.760 437 HG2 LYS 54 HG2 LYS 54 6.141 -12.935 -0.704 438 HG3 LYS 54 HG1 LYS 54 5.769 -12.743 1.006 439 HD2 LYS 54 HD2 LYS 54 7.872 -13.797 1.046 440 HD3 LYS 54 HD1 LYS 54 6.749 -15.136 1.280 441 HE2 LYS 54 HE2 LYS 54 6.928 -15.786 -1.040 442 HE3 LYS 54 HE1 LYS 54 7.836 -14.328 -1.435 443 HZ1 LYS 54 HZ1 LYS 54 9.588 -15.663 -1.122 444 HZ2 LYS 54 HZ2 LYS 54 8.723 -16.779 -0.178 445 HZ3 LYS 54 HZ3 LYS 54 9.325 -15.354 0.524 446 H ASN 55 HN ASN 55 1.386 -13.565 1.091 447 HA ASN 55 HA ASN 55 0.237 -15.937 0.007 448 HB2 ASN 55 HB2 ASN 55 -0.911 -13.599 1.547 449 HB3 ASN 55 HB1 ASN 55 -1.906 -14.971 1.061 450 HD21 ASN 55 HD21 ASN 55 -1.412 -14.380 3.824 451 HD22 ASN 55 HD22 ASN 55 -0.469 -15.630 4.480 452 H ALA 56 HN ALA 56 -0.265 -12.504 -0.766 453 HA ALA 56 HA ALA 56 -2.310 -13.045 -2.761 454 HB1 ALA 56 HB1 ALA 56 -2.381 -10.885 -1.766 455 HB2 ALA 56 HB2 ALA 56 -1.768 -10.606 -3.396 456 HB3 ALA 56 HB3 ALA 56 -0.659 -10.623 -2.024 457 H GLU 57 HN GLU 57 1.053 -13.379 -2.665 458 HA GLU 57 HA GLU 57 2.674 -13.773 -4.290 459 HB2 GLU 57 HB2 GLU 57 0.176 -14.565 -5.808 460 HB3 GLU 57 HB1 GLU 57 1.812 -14.820 -6.422 461 HG2 GLU 57 HG2 GLU 57 2.375 -16.160 -4.459 462 HG3 GLU 57 HG1 GLU 57 0.782 -15.858 -3.768 463 H LEU 58 HN LEU 58 2.606 -11.235 -4.082 464 HA LEU 58 HA LEU 58 1.965 -10.012 -6.724 465 HB2 LEU 58 HB2 LEU 58 2.727 -8.595 -4.161 466 HB3 LEU 58 HB1 LEU 58 1.988 -7.891 -5.597 467 HG LEU 58 HG LEU 58 0.700 -9.965 -3.805 468 HD11 LEU 58 HD11 LEU 58 -0.135 -7.092 -4.220 469 HD12 LEU 58 HD12 LEU 58 0.978 -7.562 -2.935 470 HD13 LEU 58 HD13 LEU 58 -0.662 -8.210 -2.963 471 HD21 LEU 58 HD21 LEU 58 -1.347 -9.200 -5.220 472 HD22 LEU 58 HD22 LEU 58 -0.202 -10.311 -5.965 473 HD23 LEU 58 HD23 LEU 58 -0.147 -8.594 -6.362 474 HA PRO 59 HA PRO 59 6.329 -9.822 -7.636 475 HB2 PRO 59 HB2 PRO 59 6.381 -7.716 -9.388 476 HB3 PRO 59 HB1 PRO 59 5.711 -9.306 -9.806 477 HG2 PRO 59 HG2 PRO 59 4.281 -6.824 -8.945 478 HG3 PRO 59 HG1 PRO 59 3.876 -7.964 -10.243 479 HD2 PRO 59 HD2 PRO 59 2.639 -8.042 -7.823 480 HD3 PRO 59 HD1 PRO 59 2.932 -9.508 -8.783 481 H LEU 60 HN LEU 60 8.249 -8.437 -7.432 482 HA LEU 60 HA LEU 60 8.199 -6.823 -5.049 483 HB2 LEU 60 HB2 LEU 60 10.372 -7.012 -7.154 484 HB3 LEU 60 HB1 LEU 60 10.569 -6.483 -5.483 485 HG LEU 60 HG LEU 60 9.673 -9.243 -6.365 486 HD11 LEU 60 HD11 LEU 60 12.278 -8.248 -5.173 487 HD12 LEU 60 HD12 LEU 60 12.045 -8.873 -6.806 488 HD13 LEU 60 HD13 LEU 60 11.868 -9.946 -5.417 489 HD21 LEU 60 HD21 LEU 60 10.201 -9.646 -3.818 490 HD22 LEU 60 HD22 LEU 60 8.653 -8.943 -4.271 491 HD23 LEU 60 HD23 LEU 60 9.948 -7.907 -3.674 492 H LEU 61 HN LEU 61 8.333 -4.622 -4.792 493 HA LEU 61 HA LEU 61 7.455 -2.992 -7.104 494 HB2 LEU 61 HB2 LEU 61 7.552 -2.591 -4.113 495 HB3 LEU 61 HB1 LEU 61 7.285 -1.227 -5.199 496 HG LEU 61 HG LEU 61 5.344 -2.363 -6.185 497 HD11 LEU 61 HD11 LEU 61 4.543 -4.463 -4.900 498 HD12 LEU 61 HD12 LEU 61 6.200 -4.574 -4.310 499 HD13 LEU 61 HD13 LEU 61 5.870 -4.668 -6.040 500 HD21 LEU 61 HD21 LEU 61 5.305 -2.303 -3.151 501 HD22 LEU 61 HD22 LEU 61 3.873 -2.323 -4.180 502 HD23 LEU 61 HD23 LEU 61 4.968 -0.942 -4.220 503 H GLU 62 HN GLU 62 8.660 -1.308 -7.956 504 HA GLU 62 HA GLU 62 11.543 -1.355 -7.388 505 HB2 GLU 62 HB2 GLU 62 9.861 0.146 -9.404 506 HB3 GLU 62 HB1 GLU 62 11.612 0.316 -9.278 507 HG2 GLU 62 HG2 GLU 62 11.897 -2.087 -9.671 508 HG3 GLU 62 HG1 GLU 62 10.147 -2.297 -9.741 509 H GLN 63 HN GLN 63 12.756 0.487 -6.765 510 HA GLN 63 HA GLN 63 11.369 2.213 -4.858 511 HB2 GLN 63 HB2 GLN 63 13.634 1.209 -4.452 512 HB3 GLN 63 HB1 GLN 63 14.276 2.271 -5.706 513 HG2 GLN 63 HG2 GLN 63 13.446 4.239 -4.440 514 HG3 GLN 63 HG1 GLN 63 12.869 3.159 -3.171 515 HE21 GLN 63 HE21 GLN 63 14.310 3.513 -1.460 516 HE22 GLN 63 HE22 GLN 63 15.999 3.422 -1.595 517 H GLY 64 HN GLY 64 10.937 4.374 -5.086 518 HA2 GLY 64 HA2 GLY 64 10.945 6.533 -6.037 519 HA3 GLY 64 HA1 GLY 64 12.150 5.978 -7.199 520 H GLU 65 HN GLU 65 9.226 4.132 -6.810 521 HA GLU 65 HA GLU 65 8.151 5.289 -9.362 522 HB2 GLU 65 HB2 GLU 65 8.351 2.376 -8.550 523 HB3 GLU 65 HB1 GLU 65 7.418 2.957 -9.930 524 HG2 GLU 65 HG2 GLU 65 10.389 3.443 -9.548 525 HG3 GLU 65 HG1 GLU 65 9.712 2.170 -10.562 526 H SER 66 HN SER 66 5.936 5.410 -9.548 527 HA SER 66 HA SER 66 4.446 5.445 -7.028 528 HB2 SER 66 HB2 SER 66 2.576 6.238 -8.565 529 HB3 SER 66 HB1 SER 66 4.008 7.265 -8.511 530 HG SER 66 HG SER 66 4.683 6.390 -10.440 531 H TYR 67 HN TYR 67 2.663 4.113 -6.543 532 HA TYR 67 HA TYR 67 2.043 1.898 -8.441 533 HB2 TYR 67 HB2 TYR 67 2.913 1.590 -5.557 534 HB3 TYR 67 HB1 TYR 67 2.076 0.321 -6.455 535 HD1 TYR 67 HD2 TYR 67 3.068 -0.354 -8.744 536 HD2 TYR 67 HD1 TYR 67 5.258 1.802 -5.743 537 HE1 TYR 67 HE2 TYR 67 5.199 -1.040 -9.808 538 HE2 TYR 67 HE1 TYR 67 7.390 1.117 -6.810 539 HH TYR 67 HH TYR 67 7.710 -1.339 -8.854 540 H LEU 68 HN LEU 68 -0.042 1.144 -8.296 541 HA LEU 68 HA LEU 68 -1.887 2.716 -6.538 542 HB2 LEU 68 HB2 LEU 68 -2.458 2.994 -8.851 543 HB3 LEU 68 HB1 LEU 68 -2.278 1.274 -9.173 544 HG LEU 68 HG LEU 68 -4.237 0.773 -7.811 545 HD11 LEU 68 HD11 LEU 68 -4.092 3.721 -7.184 546 HD12 LEU 68 HD12 LEU 68 -4.153 2.366 -6.057 547 HD13 LEU 68 HD13 LEU 68 -5.586 2.807 -6.982 548 HD21 LEU 68 HD21 LEU 68 -4.530 1.485 -10.200 549 HD22 LEU 68 HD22 LEU 68 -4.855 3.119 -9.619 550 HD23 LEU 68 HD23 LEU 68 -5.941 1.798 -9.189 551 H LEU 69 HN LEU 69 -2.694 1.639 -4.842 552 HA LEU 69 HA LEU 69 -2.589 -1.349 -4.817 553 HB2 LEU 69 HB2 LEU 69 -3.003 0.593 -2.522 554 HB3 LEU 69 HB1 LEU 69 -2.701 -1.140 -2.403 555 HG LEU 69 HG LEU 69 -0.791 0.896 -3.582 556 HD11 LEU 69 HD11 LEU 69 -1.120 0.925 -1.064 557 HD12 LEU 69 HD12 LEU 69 0.527 0.595 -1.598 558 HD13 LEU 69 HD13 LEU 69 -0.500 -0.726 -1.041 559 HD21 LEU 69 HD21 LEU 69 -0.308 -1.107 -4.712 560 HD22 LEU 69 HD22 LEU 69 -0.741 -2.111 -3.325 561 HD23 LEU 69 HD23 LEU 69 0.770 -1.201 -3.321 562 H ARG 70 HN ARG 70 -4.459 -2.422 -5.058 563 HA ARG 70 HA ARG 70 -7.037 -0.956 -4.586 564 HB2 ARG 70 HB2 ARG 70 -6.313 -3.153 -6.540 565 HB3 ARG 70 HB1 ARG 70 -7.975 -2.657 -6.211 566 HG2 ARG 70 HG2 ARG 70 -7.485 -0.380 -6.924 567 HG3 ARG 70 HG1 ARG 70 -5.784 -0.784 -7.131 568 HD2 ARG 70 HD2 ARG 70 -6.917 -0.800 -9.305 569 HD3 ARG 70 HD1 ARG 70 -6.402 -2.431 -8.879 570 HE ARG 70 HE ARG 70 -9.083 -1.999 -7.956 571 HH11 ARG 70 HH21 ARG 70 -7.188 -2.448 -10.814 572 HH12 ARG 70 HH22 ARG 70 -8.482 -3.171 -11.709 573 HH21 ARG 70 HH11 ARG 70 -10.770 -2.939 -9.118 574 HH22 ARG 70 HH12 ARG 70 -10.506 -3.449 -10.752 575 H SER 71 HN SER 71 -8.441 -1.799 -3.182 576 HA SER 71 HA SER 71 -9.359 -3.157 -1.536 577 HB2 SER 71 HB2 SER 71 -9.666 -4.710 -3.450 578 HB3 SER 71 HB1 SER 71 -8.083 -5.404 -3.121 579 HG SER 71 HG SER 71 -9.599 -5.257 -0.882 580 H VAL 72 HN VAL 72 -7.655 -2.085 -0.142 581 HA VAL 72 HA VAL 72 -5.794 -4.170 0.966 582 HB VAL 72 HB VAL 72 -4.393 -2.150 1.712 583 HG11 VAL 72 HG11 VAL 72 -4.600 -2.610 -1.273 584 HG12 VAL 72 HG12 VAL 72 -3.827 -3.732 -0.159 585 HG13 VAL 72 HG13 VAL 72 -3.174 -2.113 -0.365 586 HG21 VAL 72 HG21 VAL 72 -4.652 -0.098 0.455 587 HG22 VAL 72 HG22 VAL 72 -6.208 -0.483 1.190 588 HG23 VAL 72 HG23 VAL 72 -5.939 -0.804 -0.523 589 H VAL 73 HN VAL 73 -5.382 -3.950 3.256 590 HA VAL 73 HA VAL 73 -7.615 -2.605 4.743 591 HB VAL 73 HB VAL 73 -7.829 -5.082 4.695 592 HG11 VAL 73 HG11 VAL 73 -5.344 -5.504 4.531 593 HG12 VAL 73 HG12 VAL 73 -6.170 -6.491 5.735 594 HG13 VAL 73 HG13 VAL 73 -5.221 -5.094 6.241 595 HG21 VAL 73 HG21 VAL 73 -7.010 -3.977 7.400 596 HG22 VAL 73 HG22 VAL 73 -8.070 -5.358 7.116 597 HG23 VAL 73 HG23 VAL 73 -8.587 -3.739 6.648 598 H VAL 74 HN VAL 74 -7.000 -1.312 6.414 599 HA VAL 74 HA VAL 74 -4.124 -0.824 6.765 600 HB VAL 74 HB VAL 74 -6.429 0.481 8.226 601 HG11 VAL 74 HG11 VAL 74 -3.701 1.561 7.473 602 HG12 VAL 74 HG12 VAL 74 -4.037 0.800 9.027 603 HG13 VAL 74 HG13 VAL 74 -4.876 2.283 8.573 604 HG21 VAL 74 HG21 VAL 74 -6.289 2.203 6.420 605 HG22 VAL 74 HG22 VAL 74 -6.827 0.636 5.816 606 HG23 VAL 74 HG23 VAL 74 -5.163 1.159 5.552 607 H GLY 75 HN GLY 75 -2.951 -1.928 8.204 608 HA2 GLY 75 HA2 GLY 75 -4.300 -3.264 10.497 609 HA3 GLY 75 HA1 GLY 75 -2.674 -3.615 9.908 610 H GLU 76 HN GLU 76 -2.918 -3.243 12.579 611 HA GLU 76 HA GLU 76 -1.984 -0.436 13.089 612 HB2 GLU 76 HB2 GLU 76 -3.993 -1.117 14.360 613 HB3 GLU 76 HB1 GLU 76 -3.098 -2.480 15.034 614 HG2 GLU 76 HG2 GLU 76 -1.508 -0.965 16.099 615 HG3 GLU 76 HG1 GLU 76 -2.284 0.427 15.343 616 H TYR 77 HN TYR 77 0.146 -0.243 13.376 617 HA TYR 77 HA TYR 77 1.659 -2.454 14.706 618 HB2 TYR 77 HB2 TYR 77 2.173 -2.746 12.388 619 HB3 TYR 77 HB1 TYR 77 2.360 -1.012 12.133 620 HD1 TYR 77 HD2 TYR 77 3.834 -3.988 13.807 621 HD2 TYR 77 HD1 TYR 77 4.413 0.102 12.626 622 HE1 TYR 77 HE2 TYR 77 6.240 -4.164 14.382 623 HE2 TYR 77 HE1 TYR 77 6.819 -0.075 13.199 624 HH TYR 77 HH TYR 77 8.117 -2.907 14.820 625 H ASN 78 HN ASN 78 2.741 -1.687 16.412 626 HA ASN 78 HA ASN 78 3.642 -0.189 17.958 627 HB2 ASN 78 HB2 ASN 78 4.700 0.981 15.372 628 HB3 ASN 78 HB1 ASN 78 5.239 1.478 16.976 629 HD21 ASN 78 HD21 ASN 78 4.596 -1.644 17.563 630 HD22 ASN 78 HD22 ASN 78 6.072 -2.365 17.143 631 H ASP 79 HN ASP 79 1.029 0.373 17.672 632 HA ASP 79 HA ASP 79 -0.574 2.056 17.937 633 HB2 ASP 79 HB2 ASP 79 1.948 3.512 18.779 634 HB3 ASP 79 HB1 ASP 79 0.342 4.224 18.907 635 H ARG 80 HN ARG 80 1.568 2.064 15.465 636 HA ARG 80 HA ARG 80 0.637 4.660 14.317 637 HB2 ARG 80 HB2 ARG 80 2.883 2.784 13.530 638 HB3 ARG 80 HB1 ARG 80 2.430 4.217 12.609 639 HG2 ARG 80 HG2 ARG 80 2.992 4.497 15.557 640 HG3 ARG 80 HG1 ARG 80 4.346 4.359 14.438 641 HD2 ARG 80 HD2 ARG 80 2.117 6.388 14.112 642 HD3 ARG 80 HD1 ARG 80 3.647 6.732 14.914 643 HE ARG 80 HE ARG 80 4.295 5.637 12.404 644 HH11 ARG 80 HH21 ARG 80 2.606 8.346 13.723 645 HH12 ARG 80 HH22 ARG 80 2.987 9.392 12.394 646 HH21 ARG 80 HH11 ARG 80 4.794 6.984 10.673 647 HH22 ARG 80 HH12 ARG 80 4.225 8.620 10.669 648 H PHE 81 HN PHE 81 0.021 4.617 12.008 649 HA PHE 81 HA PHE 81 -1.708 2.262 11.469 650 HB2 PHE 81 HB2 PHE 81 -1.564 5.076 10.361 651 HB3 PHE 81 HB1 PHE 81 -2.578 3.829 9.633 652 HD1 PHE 81 HD1 PHE 81 -4.489 2.889 10.837 653 HD2 PHE 81 HD2 PHE 81 -2.065 5.979 12.574 654 HE1 PHE 81 HE1 PHE 81 -6.226 3.280 12.561 655 HE2 PHE 81 HE2 PHE 81 -3.804 6.372 14.299 656 HZ PHE 81 HZ PHE 81 -5.885 5.022 14.292 657 H GLN 82 HN GLN 82 -1.499 1.014 9.617 658 HA GLN 82 HA GLN 82 0.606 1.708 7.643 659 HB2 GLN 82 HB2 GLN 82 1.568 -0.592 7.823 660 HB3 GLN 82 HB1 GLN 82 1.817 0.368 9.282 661 HG2 GLN 82 HG2 GLN 82 -0.072 -0.728 10.373 662 HG3 GLN 82 HG1 GLN 82 -0.437 -1.628 8.902 663 HE21 GLN 82 HE21 GLN 82 2.925 -1.297 9.209 664 HE22 GLN 82 HE22 GLN 82 3.257 -2.804 9.918 665 H VAL 83 HN VAL 83 0.438 0.352 5.695 666 HA VAL 83 HA VAL 83 -2.335 -0.732 5.318 667 HB VAL 83 HB VAL 83 -2.048 -0.186 2.942 668 HG11 VAL 83 HG11 VAL 83 -1.822 2.351 3.263 669 HG12 VAL 83 HG12 VAL 83 -1.519 2.002 4.963 670 HG13 VAL 83 HG13 VAL 83 -3.057 1.546 4.230 671 HG21 VAL 83 HG21 VAL 83 -0.014 1.319 2.409 672 HG22 VAL 83 HG22 VAL 83 0.283 -0.413 2.558 673 HG23 VAL 83 HG23 VAL 83 0.694 0.669 3.889 674 H GLN 84 HN GLN 84 -2.492 -2.866 4.918 675 HA GLN 84 HA GLN 84 0.009 -4.384 4.259 676 HB2 GLN 84 HB2 GLN 84 -2.540 -5.193 5.681 677 HB3 GLN 84 HB1 GLN 84 -1.305 -6.347 5.173 678 HG2 GLN 84 HG2 GLN 84 0.379 -5.140 6.509 679 HG3 GLN 84 HG1 GLN 84 -0.850 -3.982 7.017 680 HE21 GLN 84 HE21 GLN 84 -1.228 -4.473 9.196 681 HE22 GLN 84 HE22 GLN 84 -1.574 -6.027 9.785 682 H VAL 85 HN VAL 85 0.121 -5.221 2.258 683 HA VAL 85 HA VAL 85 -2.343 -5.311 0.598 684 HB VAL 85 HB VAL 85 0.512 -5.793 -0.280 685 HG11 VAL 85 HG11 VAL 85 -0.317 -5.338 -2.462 686 HG12 VAL 85 HG12 VAL 85 -1.825 -4.675 -1.837 687 HG13 VAL 85 HG13 VAL 85 -1.513 -6.408 -1.736 688 HG21 VAL 85 HG21 VAL 85 0.335 -3.332 -1.009 689 HG22 VAL 85 HG22 VAL 85 0.574 -3.624 0.713 690 HG23 VAL 85 HG23 VAL 85 -1.030 -3.215 0.104 691 H ASN 86 HN ASN 86 -3.414 -7.212 0.895 692 HA ASN 86 HA ASN 86 -1.989 -9.710 0.237 693 HB2 ASN 86 HB2 ASN 86 -2.705 -10.883 2.248 694 HB3 ASN 86 HB1 ASN 86 -1.758 -9.474 2.716 695 HD21 ASN 86 HD21 ASN 86 -3.305 -7.382 2.965 696 HD22 ASN 86 HD22 ASN 86 -4.723 -7.665 3.857 697 H LYS 87 HN LYS 87 -3.773 -11.566 0.586 698 HA LYS 87 HA LYS 87 -5.780 -12.485 -0.126 699 HB2 LYS 87 HB2 LYS 87 -6.629 -10.557 1.441 700 HB3 LYS 87 HB1 LYS 87 -7.086 -9.762 -0.064 701 HG2 LYS 87 HG2 LYS 87 -8.441 -11.712 -0.709 702 HG3 LYS 87 HG1 LYS 87 -7.935 -12.561 0.748 703 HD2 LYS 87 HD2 LYS 87 -9.001 -10.832 2.140 704 HD3 LYS 87 HD1 LYS 87 -9.506 -9.971 0.685 705 HE2 LYS 87 HE2 LYS 87 -10.818 -11.930 -0.030 706 HE3 LYS 87 HE1 LYS 87 -10.312 -12.800 1.419 707 HZ1 LYS 87 HZ1 LYS 87 -11.270 -10.436 2.365 708 HZ2 LYS 87 HZ2 LYS 87 -12.097 -11.921 2.372 709 HZ3 LYS 87 HZ3 LYS 87 -12.344 -10.813 1.108 710 H ASN 88 HN ASN 88 -7.648 -10.433 -1.648 711 HA ASN 88 HA ASN 88 -6.579 -11.145 -4.300 712 HB2 ASN 88 HB2 ASN 88 -9.161 -9.810 -3.418 713 HB3 ASN 88 HB1 ASN 88 -8.772 -10.222 -5.089 714 HD21 ASN 88 HD21 ASN 88 -7.350 -12.761 -4.196 715 HD22 ASN 88 HD22 ASN 88 -8.595 -13.841 -3.795 716 H SER 89 HN SER 89 -5.461 -8.970 -2.435 717 HA SER 89 HA SER 89 -5.985 -6.407 -3.544 718 HB2 SER 89 HB2 SER 89 -3.590 -7.583 -2.135 719 HB3 SER 89 HB1 SER 89 -3.589 -5.919 -2.711 720 HG SER 89 HG SER 89 -5.882 -6.553 -1.405 721 H SER 90 HN SER 90 -4.934 -5.232 -5.189 722 HA SER 90 HA SER 90 -3.156 -6.823 -7.023 723 HB2 SER 90 HB2 SER 90 -5.537 -5.085 -7.689 724 HB3 SER 90 HB1 SER 90 -4.307 -5.492 -8.883 725 HG SER 90 HG SER 90 -5.710 -7.394 -7.309 726 H ILE 91 HN ILE 91 -1.618 -5.579 -8.184 727 HA ILE 91 HA ILE 91 -1.241 -2.756 -7.243 728 HB ILE 91 HB ILE 91 0.896 -4.880 -7.606 729 HG12 ILE 91 HG12 ILE 91 -0.012 -3.393 -5.125 730 HG13 ILE 91 HG11 ILE 91 -0.498 -5.039 -5.521 731 HG21 ILE 91 HG21 ILE 91 2.373 -3.034 -6.686 732 HG22 ILE 91 HG22 ILE 91 1.023 -1.928 -6.926 733 HG23 ILE 91 HG23 ILE 91 1.759 -2.734 -8.310 734 HD11 ILE 91 HD11 ILE 91 2.260 -4.011 -4.860 735 HD12 ILE 91 HD12 ILE 91 2.024 -5.555 -5.675 736 HD13 ILE 91 HD13 ILE 91 1.359 -5.299 -4.065 737 H GLU 92 HN GLU 92 -0.861 -1.338 -8.866 738 HA GLU 92 HA GLU 92 -0.132 -2.434 -11.571 739 HB2 GLU 92 HB2 GLU 92 -2.518 -1.807 -11.515 740 HB3 GLU 92 HB1 GLU 92 -2.084 -0.195 -10.951 741 HG2 GLU 92 HG2 GLU 92 -0.834 0.228 -13.007 742 HG3 GLU 92 HG1 GLU 92 -1.162 -1.413 -13.568 743 H LYS 93 HN LYS 93 1.547 -1.402 -12.537 744 HA LYS 93 HA LYS 93 2.988 0.625 -11.010 745 HB2 LYS 93 HB2 LYS 93 4.170 -1.155 -12.265 746 HB3 LYS 93 HB1 LYS 93 3.536 -0.496 -13.773 747 HG2 LYS 93 HG2 LYS 93 4.696 1.624 -13.372 748 HG3 LYS 93 HG1 LYS 93 5.276 1.034 -11.814 749 HD2 LYS 93 HD2 LYS 93 6.504 -0.776 -12.963 750 HD3 LYS 93 HD1 LYS 93 5.935 -0.170 -14.519 751 HE2 LYS 93 HE2 LYS 93 8.200 0.664 -14.065 752 HE3 LYS 93 HE1 LYS 93 7.047 1.999 -14.065 753 HZ1 LYS 93 HZ1 LYS 93 8.048 0.591 -11.650 754 HZ2 LYS 93 HZ2 LYS 93 6.959 1.894 -11.662 755 HZ3 LYS 93 HZ3 LYS 93 8.562 2.118 -12.181 756 H LEU 94 HN LEU 94 2.848 2.786 -11.284 757 HA LEU 94 HA LEU 94 1.204 3.810 -13.553 758 HB2 LEU 94 HB2 LEU 94 1.897 4.820 -10.807 759 HB3 LEU 94 HB1 LEU 94 1.413 5.974 -12.049 760 HG LEU 94 HG LEU 94 -0.492 5.109 -10.627 761 HD11 LEU 94 HD11 LEU 94 -0.551 5.792 -13.238 762 HD12 LEU 94 HD12 LEU 94 -1.981 5.232 -12.379 763 HD13 LEU 94 HD13 LEU 94 -1.075 4.114 -13.393 764 HD21 LEU 94 HD21 LEU 94 -1.185 2.846 -10.765 765 HD22 LEU 94 HD22 LEU 94 0.563 2.749 -10.577 766 HD23 LEU 94 HD23 LEU 94 -0.169 2.528 -12.166 767 H SER 95 HN SER 95 2.069 5.001 -15.118 768 HA SER 95 HA SER 95 4.983 5.358 -15.191 769 HB2 SER 95 HB2 SER 95 3.639 4.588 -17.172 770 HB3 SER 95 HB1 SER 95 2.887 6.179 -17.222 771 HG SER 95 HG SER 95 4.858 7.083 -17.658 772 H GLU 96 HN GLU 96 2.756 7.013 -13.601 773 HA GLU 96 HA GLU 96 3.849 9.713 -14.342 774 HB2 GLU 96 HB2 GLU 96 1.347 9.279 -14.676 775 HB3 GLU 96 HB1 GLU 96 1.233 9.209 -12.916 776 HG2 GLU 96 HG2 GLU 96 2.444 11.472 -12.903 777 HG3 GLU 96 HG1 GLU 96 2.110 11.540 -14.634 778 HA PRO 97 HA PRO 97 5.597 8.684 -10.161 779 HB2 PRO 97 HB2 PRO 97 7.301 11.007 -10.986 780 HB3 PRO 97 HB1 PRO 97 7.785 9.440 -10.305 781 HG2 PRO 97 HG2 PRO 97 8.140 9.990 -12.887 782 HG3 PRO 97 HG1 PRO 97 7.666 8.368 -12.347 783 HD2 PRO 97 HD2 PRO 97 5.983 10.491 -13.639 784 HD3 PRO 97 HD1 PRO 97 5.917 8.725 -13.829 785 H ILE 98 HN ILE 98 5.294 9.771 -8.190 786 HA ILE 98 HA ILE 98 3.668 12.267 -8.346 787 HB ILE 98 HB ILE 98 4.094 10.300 -6.078 788 HG12 ILE 98 HG12 ILE 98 1.637 10.818 -7.776 789 HG13 ILE 98 HG11 ILE 98 2.786 9.524 -8.112 790 HG21 ILE 98 HG21 ILE 98 3.609 12.421 -5.103 791 HG22 ILE 98 HG22 ILE 98 2.064 11.573 -5.163 792 HG23 ILE 98 HG23 ILE 98 2.435 12.813 -6.361 793 HD11 ILE 98 HD11 ILE 98 0.955 8.614 -6.801 794 HD12 ILE 98 HD12 ILE 98 1.151 9.876 -5.585 795 HD13 ILE 98 HD13 ILE 98 2.403 8.653 -5.796 796 H GLU 99 HN GLU 99 4.524 14.161 -7.739 797 HA GLU 99 HA GLU 99 7.270 14.291 -6.765 798 HB2 GLU 99 HB2 GLU 99 5.179 16.424 -7.285 799 HB3 GLU 99 HB1 GLU 99 6.841 16.770 -6.808 800 HG2 GLU 99 HG2 GLU 99 6.063 15.176 -9.267 801 HG3 GLU 99 HG1 GLU 99 6.493 16.887 -9.284 802 H VAL 100 HN VAL 100 7.935 15.095 -4.741 803 HA VAL 100 HA VAL 100 5.899 14.828 -2.580 804 HB VAL 100 HB VAL 100 8.876 15.142 -2.163 805 HG11 VAL 100 HG11 VAL 100 6.674 13.648 -0.702 806 HG12 VAL 100 HG12 VAL 100 7.403 15.172 -0.194 807 HG13 VAL 100 HG13 VAL 100 8.367 13.695 -0.212 808 HG21 VAL 100 HG21 VAL 100 7.362 12.694 -3.095 809 HG22 VAL 100 HG22 VAL 100 8.895 12.575 -2.230 810 HG23 VAL 100 HG23 VAL 100 8.822 13.399 -3.787 811 H GLY 101 HN GLY 101 7.049 17.227 -4.485 812 HA2 GLY 101 HA2 GLY 101 6.631 19.559 -4.189 813 HA3 GLY 101 HA1 GLY 101 6.452 19.290 -2.454 814 H LEU 102 HN LEU 102 9.064 18.683 -4.830 815 HA LEU 102 HA LEU 102 11.182 19.188 -2.973 816 HB2 LEU 102 HB2 LEU 102 10.978 19.103 -5.983 817 HB3 LEU 102 HB1 LEU 102 12.489 19.585 -5.213 818 HG LEU 102 HG LEU 102 12.475 17.461 -3.915 819 HD11 LEU 102 HD11 LEU 102 10.873 15.676 -4.806 820 HD12 LEU 102 HD12 LEU 102 9.973 16.996 -5.552 821 HD13 LEU 102 HD13 LEU 102 10.147 16.928 -3.799 822 HD21 LEU 102 HD21 LEU 102 12.196 17.069 -6.913 823 HD22 LEU 102 HD22 LEU 102 13.057 16.003 -5.803 824 HD23 LEU 102 HD23 LEU 102 13.657 17.635 -6.101 825 H GLU 103 HN GLU 103 9.524 21.241 -5.333 826 HA GLU 103 HA GLU 103 9.332 23.557 -5.488 827 HB2 GLU 103 HB2 GLU 103 9.081 23.287 -2.925 828 HB3 GLU 103 HB1 GLU 103 10.763 23.812 -2.839 829 HG2 GLU 103 HG2 GLU 103 10.213 25.877 -4.037 830 HG3 GLU 103 HG1 GLU 103 8.537 25.353 -4.200 831 H HIS 104 HN HIS 104 11.470 22.331 -6.777 832 HA HIS 104 HA HIS 104 13.930 23.835 -6.206 833 HB2 HIS 104 HB2 HIS 104 14.888 22.579 -8.045 834 HB3 HIS 104 HB1 HIS 104 13.930 21.467 -7.069 835 HD1 HIS 104 HD1 HIS 104 13.701 23.473 -10.286 836 HD2 HIS 104 HD2 HIS 104 11.834 20.235 -8.440 837 HE1 HIS 104 HE1 HIS 104 12.118 22.487 -11.999 838 H HIS 105 HN HIS 105 11.068 24.284 -8.024 839 HA HIS 105 HA HIS 105 12.066 25.868 -10.194 840 HB2 HIS 105 HB2 HIS 105 9.771 24.951 -10.142 841 HB3 HIS 105 HB1 HIS 105 9.381 26.006 -8.785 842 HD1 HIS 105 HD1 HIS 105 10.740 26.393 -12.341 843 HD2 HIS 105 HD2 HIS 105 8.316 28.409 -9.612 844 HE1 HIS 105 HE1 HIS 105 9.870 28.450 -13.537 845 H HIS 106 HN HIS 106 11.007 26.686 -6.901 846 HA HIS 106 HA HIS 106 12.297 29.374 -7.238 847 HB2 HIS 106 HB2 HIS 106 9.792 29.522 -7.298 848 HB3 HIS 106 HB1 HIS 106 9.755 28.821 -5.679 849 HD1 HIS 106 HD1 HIS 106 10.586 30.286 -3.715 850 HD2 HIS 106 HD2 HIS 106 10.789 32.201 -7.413 851 HE1 HIS 106 HE1 HIS 106 11.035 32.731 -3.232 852 H HIS 107 HN HIS 107 13.760 29.802 -5.699 853 HA HIS 107 HA HIS 107 13.483 28.736 -2.981 854 HB2 HIS 107 HB2 HIS 107 14.569 26.843 -4.126 855 HB3 HIS 107 HB1 HIS 107 15.823 27.922 -4.741 856 HD1 HIS 107 HD1 HIS 107 14.411 26.760 -1.396 857 HD2 HIS 107 HD2 HIS 107 17.963 28.235 -3.008 858 HE1 HIS 107 HE1 HIS 107 16.133 26.667 0.459 859 H HIS 108 HN HIS 108 13.325 31.200 -2.996 860 HA HIS 108 HA HIS 108 15.981 32.304 -2.337 861 HB2 HIS 108 HB2 HIS 108 15.563 32.742 -4.814 862 HB3 HIS 108 HB1 HIS 108 14.213 33.764 -4.319 863 HD1 HIS 108 HD1 HIS 108 14.758 36.090 -3.477 864 HD2 HIS 108 HD2 HIS 108 18.156 33.701 -3.833 865 HE1 HIS 108 HE1 HIS 108 16.745 37.609 -3.080 866 H HIS 109 HN HIS 109 15.833 33.846 -0.733 867 HA HIS 109 HA HIS 109 13.211 34.195 0.535 868 HB2 HIS 109 HB2 HIS 109 15.994 35.145 1.269 869 HB3 HIS 109 HB1 HIS 109 14.563 35.417 2.266 870 HD1 HIS 109 HD1 HIS 109 13.192 33.049 2.805 871 HD2 HIS 109 HD2 HIS 109 17.243 32.755 1.866 872 HE1 HIS 109 HE1 HIS 109 13.954 30.780 3.628 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -17.579 7.383 -11.018 2 H2 MET 1 HT2 MET 1 -17.132 6.414 -9.695 3 H3 MET 1 HT3 MET 1 -18.590 6.118 -10.514 4 HA MET 1 HA MET 1 -17.383 4.525 -11.530 5 HB2 MET 1 HB2 MET 1 -16.566 7.082 -12.950 6 HB3 MET 1 HB1 MET 1 -16.280 5.468 -13.605 7 HG2 MET 1 HG2 MET 1 -18.679 4.994 -13.579 8 HG3 MET 1 HG1 MET 1 -19.004 6.552 -12.825 9 HE1 MET 1 HE1 MET 1 -17.562 4.603 -15.570 10 HE2 MET 1 HE2 MET 1 -16.380 5.847 -15.960 11 HE3 MET 1 HE3 MET 1 -17.726 5.546 -17.056 12 H GLU 2 HN GLU 2 -15.251 7.308 -10.947 13 HA GLU 2 HA GLU 2 -12.776 5.988 -11.156 14 HB2 GLU 2 HB2 GLU 2 -13.675 8.403 -9.573 15 HB3 GLU 2 HB1 GLU 2 -12.003 7.858 -9.527 16 HG2 GLU 2 HG2 GLU 2 -13.446 8.352 -12.137 17 HG3 GLU 2 HG1 GLU 2 -12.581 9.635 -11.291 18 HA PRO 3 HA PRO 3 -12.586 3.380 -7.605 19 HB2 PRO 3 HB2 PRO 3 -9.882 3.524 -6.993 20 HB3 PRO 3 HB1 PRO 3 -10.564 2.538 -8.300 21 HG2 PRO 3 HG2 PRO 3 -9.237 5.204 -8.437 22 HG3 PRO 3 HG1 PRO 3 -9.151 3.837 -9.564 23 HD2 PRO 3 HD2 PRO 3 -10.682 6.042 -10.047 24 HD3 PRO 3 HD1 PRO 3 -11.114 4.430 -10.648 25 H GLN 4 HN GLN 4 -12.486 3.399 -5.372 26 HA GLN 4 HA GLN 4 -12.828 5.973 -4.107 27 HB2 GLN 4 HB2 GLN 4 -12.898 4.435 -1.993 28 HB3 GLN 4 HB1 GLN 4 -14.174 4.283 -3.197 29 HG2 GLN 4 HG2 GLN 4 -13.173 2.322 -4.151 30 HG3 GLN 4 HG1 GLN 4 -11.685 2.558 -3.232 31 HE21 GLN 4 HE21 GLN 4 -14.272 0.569 -3.273 32 HE22 GLN 4 HE22 GLN 4 -14.465 0.267 -1.613 33 H LEU 5 HN LEU 5 -10.842 7.031 -4.356 34 HA LEU 5 HA LEU 5 -8.360 5.884 -3.322 35 HB2 LEU 5 HB2 LEU 5 -8.980 8.754 -4.104 36 HB3 LEU 5 HB1 LEU 5 -7.379 8.053 -3.876 37 HG LEU 5 HG LEU 5 -9.392 7.154 -5.958 38 HD11 LEU 5 HD11 LEU 5 -8.290 9.437 -6.277 39 HD12 LEU 5 HD12 LEU 5 -8.023 8.270 -7.573 40 HD13 LEU 5 HD13 LEU 5 -6.755 8.577 -6.387 41 HD21 LEU 5 HD21 LEU 5 -6.644 6.210 -5.138 42 HD22 LEU 5 HD22 LEU 5 -7.167 6.032 -6.812 43 HD23 LEU 5 HD23 LEU 5 -8.078 5.258 -5.522 44 H THR 6 HN THR 6 -7.422 6.286 -1.395 45 HA THR 6 HA THR 6 -8.850 8.076 0.548 46 HB THR 6 HB THR 6 -7.627 5.350 1.085 47 HG1 THR 6 HG1 THR 6 -10.215 6.364 0.792 48 HG21 THR 6 HG21 THR 6 -7.193 6.712 2.994 49 HG22 THR 6 HG22 THR 6 -8.646 5.794 3.387 50 HG23 THR 6 HG23 THR 6 -8.776 7.482 2.892 51 H LYS 7 HN LYS 7 -7.571 9.510 1.504 52 HA LYS 7 HA LYS 7 -4.696 9.538 0.888 53 HB2 LYS 7 HB2 LYS 7 -6.467 11.471 2.425 54 HB3 LYS 7 HB1 LYS 7 -4.746 11.721 2.125 55 HG2 LYS 7 HG2 LYS 7 -5.138 11.626 -0.301 56 HG3 LYS 7 HG1 LYS 7 -6.859 11.360 -0.020 57 HD2 LYS 7 HD2 LYS 7 -7.033 13.540 1.098 58 HD3 LYS 7 HD1 LYS 7 -5.303 13.807 0.873 59 HE2 LYS 7 HE2 LYS 7 -6.562 14.980 -0.875 60 HE3 LYS 7 HE1 LYS 7 -5.620 13.670 -1.587 61 HZ1 LYS 7 HZ1 LYS 7 -7.767 13.522 -2.504 62 HZ2 LYS 7 HZ2 LYS 7 -8.524 13.712 -0.995 63 HZ3 LYS 7 HZ3 LYS 7 -7.681 12.280 -1.351 64 H ILE 8 HN ILE 8 -3.099 9.745 2.530 65 HA ILE 8 HA ILE 8 -3.258 7.774 4.578 66 HB ILE 8 HB ILE 8 -1.318 10.076 4.167 67 HG12 ILE 8 HG12 ILE 8 -0.990 7.101 3.660 68 HG13 ILE 8 HG11 ILE 8 -1.474 8.248 2.412 69 HG21 ILE 8 HG21 ILE 8 0.161 8.616 5.669 70 HG22 ILE 8 HG22 ILE 8 -1.315 7.763 6.115 71 HG23 ILE 8 HG23 ILE 8 -1.148 9.481 6.475 72 HD11 ILE 8 HD11 ILE 8 0.904 8.001 2.212 73 HD12 ILE 8 HD12 ILE 8 1.132 8.191 3.950 74 HD13 ILE 8 HD13 ILE 8 0.630 9.569 2.973 75 H VAL 9 HN VAL 9 -3.508 11.315 4.681 76 HA VAL 9 HA VAL 9 -3.719 11.549 7.527 77 HB VAL 9 HB VAL 9 -3.200 13.446 5.994 78 HG11 VAL 9 HG11 VAL 9 -4.916 14.486 4.668 79 HG12 VAL 9 HG12 VAL 9 -6.157 13.425 5.332 80 HG13 VAL 9 HG13 VAL 9 -4.920 12.771 4.258 81 HG21 VAL 9 HG21 VAL 9 -4.567 15.105 7.182 82 HG22 VAL 9 HG22 VAL 9 -4.049 13.835 8.290 83 HG23 VAL 9 HG23 VAL 9 -5.699 13.842 7.666 84 H ASP 10 HN ASP 10 -5.989 10.637 5.058 85 HA ASP 10 HA ASP 10 -8.381 11.178 6.634 86 HB2 ASP 10 HB2 ASP 10 -7.890 9.524 4.135 87 HB3 ASP 10 HB1 ASP 10 -9.485 9.750 4.855 88 H ILE 11 HN ILE 11 -5.945 8.894 6.828 89 HA ILE 11 HA ILE 11 -7.678 6.699 7.832 90 HB ILE 11 HB ILE 11 -4.670 6.896 7.482 91 HG12 ILE 11 HG12 ILE 11 -6.734 5.304 5.925 92 HG13 ILE 11 HG11 ILE 11 -6.087 6.855 5.389 93 HG21 ILE 11 HG21 ILE 11 -4.825 4.387 7.813 94 HG22 ILE 11 HG22 ILE 11 -6.484 4.635 8.356 95 HG23 ILE 11 HG23 ILE 11 -5.145 5.342 9.260 96 HD11 ILE 11 HD11 ILE 11 -3.760 5.783 5.654 97 HD12 ILE 11 HD12 ILE 11 -4.739 5.228 4.298 98 HD13 ILE 11 HD13 ILE 11 -4.612 4.245 5.755 99 H VAL 12 HN VAL 12 -8.286 6.802 9.886 100 HA VAL 12 HA VAL 12 -6.322 7.375 12.011 101 HB VAL 12 HB VAL 12 -7.855 8.999 13.123 102 HG11 VAL 12 HG11 VAL 12 -5.898 9.641 11.640 103 HG12 VAL 12 HG12 VAL 12 -7.140 10.880 11.820 104 HG13 VAL 12 HG13 VAL 12 -7.067 9.914 10.347 105 HG21 VAL 12 HG21 VAL 12 -9.590 10.095 11.688 106 HG22 VAL 12 HG22 VAL 12 -9.960 8.405 12.027 107 HG23 VAL 12 HG23 VAL 12 -9.308 8.866 10.454 108 H GLU 13 HN GLU 13 -8.337 5.312 10.819 109 HA GLU 13 HA GLU 13 -9.300 4.355 13.476 110 HB2 GLU 13 HB2 GLU 13 -11.413 3.594 12.362 111 HB3 GLU 13 HB1 GLU 13 -11.265 5.347 12.452 112 HG2 GLU 13 HG2 GLU 13 -10.443 5.394 10.114 113 HG3 GLU 13 HG1 GLU 13 -10.612 3.641 10.024 114 H ASN 14 HN ASN 14 -9.005 2.218 13.757 115 HA ASN 14 HA ASN 14 -7.386 0.767 11.852 116 HB2 ASN 14 HB2 ASN 14 -7.358 0.597 14.433 117 HB3 ASN 14 HB1 ASN 14 -8.772 -0.444 14.256 118 HD21 ASN 14 HD21 ASN 14 -5.715 -0.136 12.363 119 HD22 ASN 14 HD22 ASN 14 -5.325 -1.782 12.450 120 H GLY 15 HN GLY 15 -7.954 -1.044 10.681 121 HA2 GLY 15 HA2 GLY 15 -9.316 -2.516 9.487 122 HA3 GLY 15 HA1 GLY 15 -10.587 -2.235 10.680 123 H GLN 16 HN GLN 16 -9.383 -1.435 7.562 124 HA GLN 16 HA GLN 16 -11.874 -0.150 6.820 125 HB2 GLN 16 HB2 GLN 16 -10.765 1.750 7.937 126 HB3 GLN 16 HB1 GLN 16 -9.370 1.560 6.870 127 HG2 GLN 16 HG2 GLN 16 -10.704 2.059 4.918 128 HG3 GLN 16 HG1 GLN 16 -12.189 2.030 5.868 129 HE21 GLN 16 HE21 GLN 16 -9.125 3.859 5.467 130 HE22 GLN 16 HE22 GLN 16 -9.736 5.320 6.080 131 H TRP 17 HN TRP 17 -12.234 -0.673 4.786 132 HA TRP 17 HA TRP 17 -10.009 -1.649 3.076 133 HB2 TRP 17 HB2 TRP 17 -13.024 -1.902 2.915 134 HB3 TRP 17 HB1 TRP 17 -11.952 -2.413 1.612 135 HD1 TRP 17 HD1 TRP 17 -13.293 -3.480 4.943 136 HE1 TRP 17 HE1 TRP 17 -12.299 -5.771 5.591 137 HE3 TRP 17 HE3 TRP 17 -9.660 -3.907 1.379 138 HZ2 TRP 17 HZ2 TRP 17 -10.237 -7.549 4.711 139 HZ3 TRP 17 HZ3 TRP 17 -8.199 -5.908 1.305 140 HH2 TRP 17 HH2 TRP 17 -8.483 -7.728 2.965 141 H ALA 18 HN ALA 18 -9.264 -0.461 1.442 142 HA ALA 18 HA ALA 18 -10.852 1.266 -0.210 143 HB1 ALA 18 HB1 ALA 18 -10.254 3.422 0.518 144 HB2 ALA 18 HB2 ALA 18 -8.968 2.816 1.566 145 HB3 ALA 18 HB3 ALA 18 -10.657 2.580 2.009 146 H ASN 19 HN ASN 19 -9.308 2.811 -1.466 147 HA ASN 19 HA ASN 19 -6.965 1.185 -2.338 148 HB2 ASN 19 HB2 ASN 19 -8.385 3.517 -3.681 149 HB3 ASN 19 HB1 ASN 19 -7.040 2.609 -4.367 150 HD21 ASN 19 HD21 ASN 19 -8.590 0.232 -2.774 151 HD22 ASN 19 HD22 ASN 19 -9.698 -0.273 -3.956 152 H LEU 20 HN LEU 20 -4.931 2.123 -2.547 153 HA LEU 20 HA LEU 20 -4.551 4.856 -1.452 154 HB2 LEU 20 HB2 LEU 20 -4.219 3.326 0.440 155 HB3 LEU 20 HB1 LEU 20 -3.059 2.386 -0.500 156 HG LEU 20 HG LEU 20 -1.573 4.345 -0.660 157 HD11 LEU 20 HD11 LEU 20 -2.913 6.257 -0.673 158 HD12 LEU 20 HD12 LEU 20 -2.290 6.302 0.969 159 HD13 LEU 20 HD13 LEU 20 -3.918 5.695 0.663 160 HD21 LEU 20 HD21 LEU 20 -1.580 2.777 1.367 161 HD22 LEU 20 HD22 LEU 20 -2.421 4.072 2.222 162 HD23 LEU 20 HD23 LEU 20 -0.804 4.346 1.577 163 H LYS 21 HN LYS 21 -3.034 5.980 -2.454 164 HA LYS 21 HA LYS 21 -1.228 4.589 -4.408 165 HB2 LYS 21 HB2 LYS 21 -3.126 5.975 -5.405 166 HB3 LYS 21 HB1 LYS 21 -2.329 7.391 -4.728 167 HG2 LYS 21 HG2 LYS 21 -0.229 6.716 -5.920 168 HG3 LYS 21 HG1 LYS 21 -1.132 5.418 -6.694 169 HD2 LYS 21 HD2 LYS 21 -2.018 8.302 -6.868 170 HD3 LYS 21 HD1 LYS 21 -0.883 7.606 -8.024 171 HE2 LYS 21 HE2 LYS 21 -2.595 5.781 -8.453 172 HE3 LYS 21 HE1 LYS 21 -3.733 6.726 -7.494 173 HZ1 LYS 21 HZ1 LYS 21 -2.273 8.016 -9.689 174 HZ2 LYS 21 HZ2 LYS 21 -3.790 8.403 -9.028 175 HZ3 LYS 21 HZ3 LYS 21 -3.621 7.048 -10.041 176 H ALA 22 HN ALA 22 0.860 5.026 -4.180 177 HA ALA 22 HA ALA 22 1.820 7.527 -3.003 178 HB1 ALA 22 HB1 ALA 22 2.930 6.537 -1.078 179 HB2 ALA 22 HB2 ALA 22 2.316 4.939 -1.506 180 HB3 ALA 22 HB3 ALA 22 1.202 6.203 -0.986 181 H LYS 23 HN LYS 23 4.305 7.223 -2.603 182 HA LYS 23 HA LYS 23 5.425 5.760 -4.964 183 HB2 LYS 23 HB2 LYS 23 5.530 8.235 -5.106 184 HB3 LYS 23 HB1 LYS 23 6.469 8.258 -3.611 185 HG2 LYS 23 HG2 LYS 23 8.221 6.903 -4.660 186 HG3 LYS 23 HG1 LYS 23 7.271 6.794 -6.143 187 HD2 LYS 23 HD2 LYS 23 7.383 9.250 -6.391 188 HD3 LYS 23 HD1 LYS 23 8.346 9.350 -4.916 189 HE2 LYS 23 HE2 LYS 23 9.792 9.392 -6.914 190 HE3 LYS 23 HE1 LYS 23 10.086 7.947 -5.949 191 HZ1 LYS 23 HZ1 LYS 23 9.843 7.591 -8.409 192 HZ2 LYS 23 HZ2 LYS 23 8.203 7.996 -8.236 193 HZ3 LYS 23 HZ3 LYS 23 8.835 6.638 -7.434 194 H VAL 24 HN VAL 24 7.276 4.600 -4.735 195 HA VAL 24 HA VAL 24 7.880 3.652 -2.017 196 HB VAL 24 HB VAL 24 8.996 2.844 -4.722 197 HG11 VAL 24 HG11 VAL 24 9.384 1.752 -1.925 198 HG12 VAL 24 HG12 VAL 24 10.627 2.284 -3.056 199 HG13 VAL 24 HG13 VAL 24 9.723 0.803 -3.372 200 HG21 VAL 24 HG21 VAL 24 6.493 2.426 -4.065 201 HG22 VAL 24 HG22 VAL 24 7.151 1.231 -2.950 202 HG23 VAL 24 HG23 VAL 24 7.437 1.072 -4.684 203 H ILE 25 HN ILE 25 9.132 4.902 -0.829 204 HA ILE 25 HA ILE 25 11.398 6.413 -2.020 205 HB ILE 25 HB ILE 25 10.433 6.361 0.860 206 HG12 ILE 25 HG12 ILE 25 8.580 7.107 -0.526 207 HG13 ILE 25 HG11 ILE 25 9.291 8.518 0.251 208 HG21 ILE 25 HG21 ILE 25 12.194 8.232 -0.741 209 HG22 ILE 25 HG22 ILE 25 12.675 7.228 0.627 210 HG23 ILE 25 HG23 ILE 25 11.591 8.597 0.876 211 HD11 ILE 25 HD11 ILE 25 9.516 7.643 -2.623 212 HD12 ILE 25 HD12 ILE 25 10.724 8.717 -1.919 213 HD13 ILE 25 HD13 ILE 25 9.034 9.211 -1.981 214 H GLN 26 HN GLN 26 10.786 4.027 0.577 215 HA GLN 26 HA GLN 26 13.485 2.898 0.113 216 HB2 GLN 26 HB2 GLN 26 13.809 4.640 1.852 217 HB3 GLN 26 HB1 GLN 26 12.589 3.849 2.853 218 HG2 GLN 26 HG2 GLN 26 13.921 1.839 3.013 219 HG3 GLN 26 HG1 GLN 26 15.073 2.449 1.827 220 HE21 GLN 26 HE21 GLN 26 14.452 5.192 3.460 221 HE22 GLN 26 HE22 GLN 26 15.591 5.082 4.713 222 H LEU 27 HN LEU 27 13.595 0.778 0.531 223 HA LEU 27 HA LEU 27 11.303 -0.576 1.882 224 HB2 LEU 27 HB2 LEU 27 11.500 -2.354 0.074 225 HB3 LEU 27 HB1 LEU 27 10.751 -0.839 -0.412 226 HG LEU 27 HG LEU 27 13.737 -1.080 -0.746 227 HD11 LEU 27 HD11 LEU 27 11.672 -2.430 -2.504 228 HD12 LEU 27 HD12 LEU 27 13.025 -3.193 -1.667 229 HD13 LEU 27 HD13 LEU 27 13.326 -2.099 -3.018 230 HD21 LEU 27 HD21 LEU 27 11.838 0.010 -2.802 231 HD22 LEU 27 HD22 LEU 27 13.430 0.588 -2.320 232 HD23 LEU 27 HD23 LEU 27 12.034 0.929 -1.315 233 H TRP 28 HN TRP 28 11.810 -2.423 2.935 234 HA TRP 28 HA TRP 28 14.719 -3.133 3.140 235 HB2 TRP 28 HB2 TRP 28 12.504 -3.304 5.208 236 HB3 TRP 28 HB1 TRP 28 14.123 -3.974 5.420 237 HD1 TRP 28 HD1 TRP 28 16.075 -1.907 4.598 238 HE1 TRP 28 HE1 TRP 28 16.191 0.453 5.632 239 HE3 TRP 28 HE3 TRP 28 11.352 -1.547 6.499 240 HZ2 TRP 28 HZ2 TRP 28 14.499 2.256 7.074 241 HZ3 TRP 28 HZ3 TRP 28 10.630 0.498 7.697 242 HH2 TRP 28 HH2 TRP 28 12.195 2.398 7.988 243 H GLU 29 HN GLU 29 15.269 -5.242 2.965 244 HA GLU 29 HA GLU 29 13.346 -7.030 1.682 245 HB2 GLU 29 HB2 GLU 29 15.743 -6.894 0.968 246 HB3 GLU 29 HB1 GLU 29 16.213 -7.586 2.523 247 HG2 GLU 29 HG2 GLU 29 14.888 -9.596 2.059 248 HG3 GLU 29 HG1 GLU 29 14.341 -8.904 0.534 249 H ASN 30 HN ASN 30 12.043 -8.282 2.772 250 HA ASN 30 HA ASN 30 11.052 -9.454 4.538 251 HB2 ASN 30 HB2 ASN 30 12.831 -11.009 3.661 252 HB3 ASN 30 HB1 ASN 30 13.890 -10.429 4.946 253 HD21 ASN 30 HD21 ASN 30 10.716 -12.015 4.406 254 HD22 ASN 30 HD22 ASN 30 10.689 -12.822 5.900 255 H THR 31 HN THR 31 11.572 -10.123 6.975 256 HA THR 31 HA THR 31 13.144 -8.295 8.548 257 HB THR 31 HB THR 31 10.168 -7.750 8.301 258 HG1 THR 31 HG1 THR 31 12.278 -5.896 8.289 259 HG21 THR 31 HG21 THR 31 10.671 -6.054 10.155 260 HG22 THR 31 HG22 THR 31 12.145 -6.976 10.450 261 HG23 THR 31 HG23 THR 31 10.570 -7.744 10.647 262 H HIS 32 HN HIS 32 10.263 -10.374 8.444 263 HA HIS 32 HA HIS 32 11.076 -11.549 11.096 264 HB2 HIS 32 HB2 HIS 32 8.853 -10.457 11.144 265 HB3 HIS 32 HB1 HIS 32 8.326 -11.472 9.800 266 HD1 HIS 32 HD1 HIS 32 9.874 -11.984 13.256 267 HD2 HIS 32 HD2 HIS 32 7.158 -13.816 10.677 268 HE1 HIS 32 HE1 HIS 32 8.978 -14.011 14.481 269 H GLU 33 HN GLU 33 8.805 -12.795 8.693 270 HA GLU 33 HA GLU 33 10.654 -14.720 7.586 271 HB2 GLU 33 HB2 GLU 33 10.061 -15.568 9.968 272 HB3 GLU 33 HB1 GLU 33 8.458 -15.900 9.311 273 HG2 GLU 33 HG2 GLU 33 11.025 -16.930 8.075 274 HG3 GLU 33 HG1 GLU 33 10.050 -17.858 9.209 275 H SER 34 HN SER 34 7.180 -14.400 8.388 276 HA SER 34 HA SER 34 6.370 -15.413 5.765 277 HB2 SER 34 HB2 SER 34 4.885 -14.331 8.171 278 HB3 SER 34 HB1 SER 34 4.049 -14.656 6.655 279 HG SER 34 HG SER 34 4.027 -16.470 8.041 280 H ILE 35 HN ILE 35 7.489 -12.470 6.884 281 HA ILE 35 HA ILE 35 5.833 -10.816 5.053 282 HB ILE 35 HB ILE 35 8.049 -10.089 6.997 283 HG12 ILE 35 HG12 ILE 35 5.084 -9.460 7.087 284 HG13 ILE 35 HG11 ILE 35 5.807 -10.836 7.923 285 HG21 ILE 35 HG21 ILE 35 8.115 -8.479 5.226 286 HG22 ILE 35 HG22 ILE 35 7.181 -7.734 6.521 287 HG23 ILE 35 HG23 ILE 35 6.356 -8.422 5.122 288 HD11 ILE 35 HD11 ILE 35 6.589 -7.933 8.326 289 HD12 ILE 35 HD12 ILE 35 7.288 -9.314 9.171 290 HD13 ILE 35 HD13 ILE 35 5.597 -8.885 9.430 291 H SER 36 HN SER 36 6.439 -10.623 3.030 292 HA SER 36 HA SER 36 9.002 -11.495 2.021 293 HB2 SER 36 HB2 SER 36 6.680 -11.367 0.823 294 HB3 SER 36 HB1 SER 36 7.110 -9.692 0.496 295 HG SER 36 HG SER 36 8.096 -12.023 -0.563 296 H GLN 37 HN GLN 37 7.438 -8.277 2.119 297 HA GLN 37 HA GLN 37 10.086 -7.040 2.625 298 HB2 GLN 37 HB2 GLN 37 8.356 -6.479 0.205 299 HB3 GLN 37 HB1 GLN 37 9.598 -5.361 0.775 300 HG2 GLN 37 HG2 GLN 37 11.286 -7.164 0.582 301 HG3 GLN 37 HG1 GLN 37 10.047 -8.249 -0.034 302 HE21 GLN 37 HE21 GLN 37 12.476 -6.199 -1.044 303 HE22 GLN 37 HE22 GLN 37 11.914 -5.866 -2.611 304 H VAL 38 HN VAL 38 9.973 -5.052 3.579 305 HA VAL 38 HA VAL 38 7.314 -3.838 4.123 306 HB VAL 38 HB VAL 38 7.613 -5.282 6.032 307 HG11 VAL 38 HG11 VAL 38 10.405 -4.099 6.172 308 HG12 VAL 38 HG12 VAL 38 9.982 -5.782 5.848 309 HG13 VAL 38 HG13 VAL 38 9.682 -5.085 7.441 310 HG21 VAL 38 HG21 VAL 38 8.619 -2.580 6.942 311 HG22 VAL 38 HG22 VAL 38 7.520 -3.675 7.780 312 HG23 VAL 38 HG23 VAL 38 6.974 -2.806 6.348 313 H GLY 39 HN GLY 39 7.412 -1.639 4.377 314 HA2 GLY 39 HA2 GLY 39 9.837 -0.187 4.963 315 HA3 GLY 39 HA1 GLY 39 9.517 -0.179 3.235 316 H LEU 40 HN LEU 40 9.227 2.090 3.346 317 HA LEU 40 HA LEU 40 6.518 2.893 4.320 318 HB2 LEU 40 HB2 LEU 40 7.481 5.103 4.930 319 HB3 LEU 40 HB1 LEU 40 8.055 3.791 5.941 320 HG LEU 40 HG LEU 40 9.694 4.389 3.492 321 HD11 LEU 40 HD11 LEU 40 9.474 6.224 5.884 322 HD12 LEU 40 HD12 LEU 40 9.346 6.644 4.177 323 HD13 LEU 40 HD13 LEU 40 10.906 6.179 4.855 324 HD21 LEU 40 HD21 LEU 40 10.305 2.602 5.101 325 HD22 LEU 40 HD22 LEU 40 10.368 3.795 6.395 326 HD23 LEU 40 HD23 LEU 40 11.526 3.871 5.067 327 H LEU 41 HN LEU 41 5.457 4.388 3.101 328 HA LEU 41 HA LEU 41 6.643 4.986 0.406 329 HB2 LEU 41 HB2 LEU 41 3.700 4.692 1.107 330 HB3 LEU 41 HB1 LEU 41 4.414 4.826 -0.498 331 HG LEU 41 HG LEU 41 5.005 2.556 1.418 332 HD11 LEU 41 HD11 LEU 41 3.181 2.554 -1.002 333 HD12 LEU 41 HD12 LEU 41 2.617 2.603 0.668 334 HD13 LEU 41 HD13 LEU 41 3.502 1.196 0.077 335 HD21 LEU 41 HD21 LEU 41 5.748 1.509 -0.822 336 HD22 LEU 41 HD22 LEU 41 6.794 2.748 -0.138 337 HD23 LEU 41 HD23 LEU 41 5.699 3.150 -1.462 338 H GLY 42 HN GLY 42 6.801 7.047 -0.125 339 HA2 GLY 42 HA2 GLY 42 5.994 9.140 1.756 340 HA3 GLY 42 HA1 GLY 42 6.938 9.367 0.291 341 H ASP 43 HN ASP 43 4.862 11.072 1.047 342 HA ASP 43 HA ASP 43 3.317 11.204 -1.367 343 HB2 ASP 43 HB2 ASP 43 2.143 9.311 -0.170 344 HB3 ASP 43 HB1 ASP 43 1.725 10.454 1.100 345 H GLU 44 HN GLU 44 2.144 13.101 -1.511 346 HA GLU 44 HA GLU 44 3.082 15.369 -0.085 347 HB2 GLU 44 HB2 GLU 44 0.591 14.956 -1.783 348 HB3 GLU 44 HB1 GLU 44 1.124 16.532 -1.198 349 HG2 GLU 44 HG2 GLU 44 3.269 16.269 -2.367 350 HG3 GLU 44 HG1 GLU 44 2.792 14.665 -2.916 351 H THR 45 HN THR 45 0.689 13.033 0.695 352 HA THR 45 HA THR 45 -0.714 14.811 2.616 353 HB THR 45 HB THR 45 -2.224 12.950 2.949 354 HG1 THR 45 HG1 THR 45 -1.393 11.113 1.303 355 HG21 THR 45 HG21 THR 45 -2.947 12.518 0.608 356 HG22 THR 45 HG22 THR 45 -1.430 13.211 0.037 357 HG23 THR 45 HG23 THR 45 -2.590 14.220 0.901 358 H GLY 46 HN GLY 46 1.994 12.753 2.538 359 HA2 GLY 46 HA2 GLY 46 3.187 13.096 4.851 360 HA3 GLY 46 HA1 GLY 46 1.820 12.174 5.468 361 H ILE 47 HN ILE 47 3.396 10.659 6.204 362 HA ILE 47 HA ILE 47 4.363 8.779 4.068 363 HB ILE 47 HB ILE 47 5.701 9.494 6.702 364 HG12 ILE 47 HG12 ILE 47 6.675 9.878 3.857 365 HG13 ILE 47 HG11 ILE 47 5.862 11.145 4.771 366 HG21 ILE 47 HG21 ILE 47 6.050 7.150 6.240 367 HG22 ILE 47 HG22 ILE 47 7.518 7.999 5.760 368 HG23 ILE 47 HG23 ILE 47 6.360 7.480 4.535 369 HD11 ILE 47 HD11 ILE 47 7.599 11.111 6.468 370 HD12 ILE 47 HD12 ILE 47 8.365 11.281 4.890 371 HD13 ILE 47 HD13 ILE 47 8.368 9.718 5.707 372 H ILE 48 HN ILE 48 3.733 6.740 4.288 373 HA ILE 48 HA ILE 48 2.624 5.791 6.908 374 HB ILE 48 HB ILE 48 0.764 6.354 5.376 375 HG12 ILE 48 HG12 ILE 48 1.111 3.352 5.612 376 HG13 ILE 48 HG11 ILE 48 0.723 4.386 6.987 377 HG21 ILE 48 HG21 ILE 48 1.797 4.152 3.576 378 HG22 ILE 48 HG22 ILE 48 2.176 5.851 3.286 379 HG23 ILE 48 HG23 ILE 48 0.501 5.305 3.258 380 HD11 ILE 48 HD11 ILE 48 -1.346 3.480 6.089 381 HD12 ILE 48 HD12 ILE 48 -0.927 4.034 4.468 382 HD13 ILE 48 HD13 ILE 48 -1.287 5.207 5.735 383 H LYS 49 HN LYS 49 2.904 3.635 7.345 384 HA LYS 49 HA LYS 49 5.084 2.286 5.880 385 HB2 LYS 49 HB2 LYS 49 3.789 1.846 8.563 386 HB3 LYS 49 HB1 LYS 49 4.912 0.684 7.859 387 HG2 LYS 49 HG2 LYS 49 6.666 2.355 7.747 388 HG3 LYS 49 HG1 LYS 49 5.555 3.614 8.276 389 HD2 LYS 49 HD2 LYS 49 6.795 2.981 10.215 390 HD3 LYS 49 HD1 LYS 49 5.199 2.254 10.396 391 HE2 LYS 49 HE2 LYS 49 5.999 0.094 9.790 392 HE3 LYS 49 HE1 LYS 49 7.512 0.745 9.161 393 HZ1 LYS 49 HZ1 LYS 49 8.229 1.280 11.325 394 HZ2 LYS 49 HZ2 LYS 49 7.639 -0.312 11.399 395 HZ3 LYS 49 HZ3 LYS 49 6.702 0.972 11.998 396 H PHE 50 HN PHE 50 4.918 0.161 5.123 397 HA PHE 50 HA PHE 50 2.208 -1.060 5.039 398 HB2 PHE 50 HB2 PHE 50 2.216 -1.319 2.658 399 HB3 PHE 50 HB1 PHE 50 2.525 0.381 2.987 400 HD1 PHE 50 HD1 PHE 50 5.163 0.958 3.269 401 HD2 PHE 50 HD2 PHE 50 3.558 -2.358 1.051 402 HE1 PHE 50 HE1 PHE 50 7.242 0.846 1.919 403 HE2 PHE 50 HE2 PHE 50 5.639 -2.466 -0.287 404 HZ PHE 50 HZ PHE 50 7.481 -0.869 0.145 405 H THR 51 HN THR 51 2.217 -3.268 4.576 406 HA THR 51 HA THR 51 4.883 -4.633 4.647 407 HB THR 51 HB THR 51 2.427 -5.436 6.242 408 HG1 THR 51 HG1 THR 51 4.830 -4.101 6.857 409 HG21 THR 51 HG21 THR 51 3.721 -7.362 5.537 410 HG22 THR 51 HG22 THR 51 4.065 -7.060 7.241 411 HG23 THR 51 HG23 THR 51 5.224 -6.569 6.006 412 H ILE 52 HN ILE 52 5.087 -6.156 3.177 413 HA ILE 52 HA ILE 52 2.723 -6.897 1.522 414 HB ILE 52 HB ILE 52 5.705 -7.161 1.027 415 HG12 ILE 52 HG12 ILE 52 3.638 -5.464 -0.400 416 HG13 ILE 52 HG11 ILE 52 4.593 -4.860 0.952 417 HG21 ILE 52 HG21 ILE 52 4.699 -8.980 -0.118 418 HG22 ILE 52 HG22 ILE 52 4.818 -7.711 -1.336 419 HG23 ILE 52 HG23 ILE 52 3.275 -8.033 -0.547 420 HD11 ILE 52 HD11 ILE 52 5.463 -4.458 -1.477 421 HD12 ILE 52 HD12 ILE 52 5.958 -6.146 -1.407 422 HD13 ILE 52 HD13 ILE 52 6.606 -4.988 -0.244 423 H TRP 53 HN TRP 53 1.811 -8.788 1.858 424 HA TRP 53 HA TRP 53 3.276 -10.918 3.344 425 HB2 TRP 53 HB2 TRP 53 0.332 -10.649 2.636 426 HB3 TRP 53 HB1 TRP 53 1.041 -11.948 3.595 427 HD1 TRP 53 HD1 TRP 53 -0.344 -8.515 3.883 428 HE1 TRP 53 HE1 TRP 53 -0.027 -7.618 6.280 429 HE3 TRP 53 HE3 TRP 53 2.881 -12.029 5.713 430 HZ2 TRP 53 HZ2 TRP 53 1.414 -8.303 8.659 431 HZ3 TRP 53 HZ3 TRP 53 3.709 -11.882 8.045 432 HH2 TRP 53 HH2 TRP 53 2.979 -10.027 9.519 433 H LYS 54 HN LYS 54 3.883 -12.756 2.369 434 HA LYS 54 HA LYS 54 3.486 -13.026 -0.557 435 HB2 LYS 54 HB2 LYS 54 5.085 -14.960 -0.250 436 HB3 LYS 54 HB1 LYS 54 5.728 -13.395 0.219 437 HG2 LYS 54 HG2 LYS 54 5.378 -13.864 2.559 438 HG3 LYS 54 HG1 LYS 54 4.465 -15.324 2.184 439 HD2 LYS 54 HD2 LYS 54 6.698 -16.011 2.804 440 HD3 LYS 54 HD1 LYS 54 6.538 -16.235 1.064 441 HE2 LYS 54 HE2 LYS 54 7.828 -14.312 0.577 442 HE3 LYS 54 HE1 LYS 54 7.665 -13.679 2.215 443 HZ1 LYS 54 HZ1 LYS 54 8.848 -16.297 2.084 444 HZ2 LYS 54 HZ2 LYS 54 9.349 -14.916 2.939 445 HZ3 LYS 54 HZ3 LYS 54 9.762 -15.101 1.303 446 H ASN 55 HN ASN 55 1.076 -13.365 0.553 447 HA ASN 55 HA ASN 55 0.513 -16.137 1.290 448 HB2 ASN 55 HB2 ASN 55 -1.260 -13.768 0.604 449 HB3 ASN 55 HB1 ASN 55 -1.901 -15.359 1.018 450 HD21 ASN 55 HD21 ASN 55 -2.360 -13.000 2.648 451 HD22 ASN 55 HD22 ASN 55 -1.596 -13.251 4.144 452 H ALA 56 HN ALA 56 1.314 -14.717 -1.586 453 HA ALA 56 HA ALA 56 0.252 -16.990 -3.134 454 HB1 ALA 56 HB1 ALA 56 -0.494 -14.111 -3.744 455 HB2 ALA 56 HB2 ALA 56 -1.597 -15.428 -3.344 456 HB3 ALA 56 HB3 ALA 56 -0.717 -15.452 -4.871 457 H GLU 57 HN GLU 57 1.164 -13.886 -4.498 458 HA GLU 57 HA GLU 57 3.968 -14.231 -4.725 459 HB2 GLU 57 HB2 GLU 57 3.975 -14.906 -7.214 460 HB3 GLU 57 HB1 GLU 57 3.690 -16.180 -6.036 461 HG2 GLU 57 HG2 GLU 57 1.315 -16.146 -6.444 462 HG3 GLU 57 HG1 GLU 57 1.439 -14.675 -7.402 463 H LEU 58 HN LEU 58 3.414 -11.956 -4.287 464 HA LEU 58 HA LEU 58 2.356 -10.397 -6.554 465 HB2 LEU 58 HB2 LEU 58 3.494 -9.233 -4.005 466 HB3 LEU 58 HB1 LEU 58 2.269 -8.551 -5.068 467 HG LEU 58 HG LEU 58 1.948 -10.966 -3.270 468 HD11 LEU 58 HD11 LEU 58 0.459 -9.615 -2.007 469 HD12 LEU 58 HD12 LEU 58 0.361 -8.391 -3.271 470 HD13 LEU 58 HD13 LEU 58 1.839 -8.565 -2.326 471 HD21 LEU 58 HD21 LEU 58 0.712 -11.419 -5.281 472 HD22 LEU 58 HD22 LEU 58 0.136 -9.755 -5.376 473 HD23 LEU 58 HD23 LEU 58 -0.457 -10.823 -4.104 474 HA PRO 59 HA PRO 59 6.406 -9.555 -8.150 475 HB2 PRO 59 HB2 PRO 59 5.989 -7.118 -9.357 476 HB3 PRO 59 HB1 PRO 59 5.405 -8.656 -10.024 477 HG2 PRO 59 HG2 PRO 59 3.921 -6.585 -8.465 478 HG3 PRO 59 HG1 PRO 59 3.392 -7.542 -9.863 479 HD2 PRO 59 HD2 PRO 59 2.661 -8.148 -7.303 480 HD3 PRO 59 HD1 PRO 59 2.837 -9.379 -8.571 481 H LEU 60 HN LEU 60 8.265 -8.295 -7.809 482 HA LEU 60 HA LEU 60 8.388 -6.982 -5.235 483 HB2 LEU 60 HB2 LEU 60 10.482 -7.031 -7.434 484 HB3 LEU 60 HB1 LEU 60 10.750 -6.670 -5.728 485 HG LEU 60 HG LEU 60 9.731 -9.318 -6.805 486 HD11 LEU 60 HD11 LEU 60 12.110 -8.879 -7.351 487 HD12 LEU 60 HD12 LEU 60 11.947 -10.172 -6.162 488 HD13 LEU 60 HD13 LEU 60 12.432 -8.557 -5.647 489 HD21 LEU 60 HD21 LEU 60 10.412 -9.958 -4.354 490 HD22 LEU 60 HD22 LEU 60 8.872 -9.151 -4.620 491 HD23 LEU 60 HD23 LEU 60 10.259 -8.229 -4.037 492 H LEU 61 HN LEU 61 8.615 -4.855 -4.772 493 HA LEU 61 HA LEU 61 7.670 -2.956 -6.824 494 HB2 LEU 61 HB2 LEU 61 8.103 -2.812 -3.834 495 HB3 LEU 61 HB1 LEU 61 7.836 -1.349 -4.782 496 HG LEU 61 HG LEU 61 5.733 -2.342 -5.672 497 HD11 LEU 61 HD11 LEU 61 4.858 -4.332 -4.289 498 HD12 LEU 61 HD12 LEU 61 6.535 -4.574 -3.799 499 HD13 LEU 61 HD13 LEU 61 6.090 -4.685 -5.501 500 HD21 LEU 61 HD21 LEU 61 5.822 -0.880 -3.610 501 HD22 LEU 61 HD22 LEU 61 5.814 -2.355 -2.641 502 HD23 LEU 61 HD23 LEU 61 4.435 -1.967 -3.667 503 H GLU 62 HN GLU 62 8.892 -1.457 -7.771 504 HA GLU 62 HA GLU 62 11.823 -1.521 -7.299 505 HB2 GLU 62 HB2 GLU 62 10.841 -1.699 -9.626 506 HB3 GLU 62 HB1 GLU 62 10.293 -0.033 -9.446 507 HG2 GLU 62 HG2 GLU 62 12.417 0.058 -10.569 508 HG3 GLU 62 HG1 GLU 62 12.694 0.595 -8.917 509 H GLN 63 HN GLN 63 12.981 0.258 -6.726 510 HA GLN 63 HA GLN 63 11.570 2.300 -5.202 511 HB2 GLN 63 HB2 GLN 63 13.766 1.276 -4.501 512 HB3 GLN 63 HB1 GLN 63 14.536 2.139 -5.831 513 HG2 GLN 63 HG2 GLN 63 13.778 4.283 -4.914 514 HG3 GLN 63 HG1 GLN 63 12.938 3.442 -3.610 515 HE21 GLN 63 HE21 GLN 63 15.017 5.364 -3.096 516 HE22 GLN 63 HE22 GLN 63 16.334 4.547 -2.407 517 H GLY 64 HN GLY 64 11.418 4.441 -5.663 518 HA2 GLY 64 HA2 GLY 64 11.611 6.449 -6.872 519 HA3 GLY 64 HA1 GLY 64 12.685 5.641 -8.009 520 H GLU 65 HN GLU 65 9.622 4.190 -7.230 521 HA GLU 65 HA GLU 65 8.409 5.240 -9.755 522 HB2 GLU 65 HB2 GLU 65 8.692 2.329 -8.961 523 HB3 GLU 65 HB1 GLU 65 7.595 2.899 -10.221 524 HG2 GLU 65 HG2 GLU 65 9.495 3.882 -11.443 525 HG3 GLU 65 HG1 GLU 65 10.598 3.329 -10.182 526 H SER 66 HN SER 66 6.209 5.411 -9.712 527 HA SER 66 HA SER 66 4.929 5.307 -7.073 528 HB2 SER 66 HB2 SER 66 3.029 6.418 -8.343 529 HB3 SER 66 HB1 SER 66 4.529 7.332 -8.256 530 HG SER 66 HG SER 66 4.948 6.858 -10.337 531 H TYR 67 HN TYR 67 3.135 4.102 -6.581 532 HA TYR 67 HA TYR 67 2.172 2.120 -8.596 533 HB2 TYR 67 HB2 TYR 67 3.076 1.487 -5.770 534 HB3 TYR 67 HB1 TYR 67 2.228 0.361 -6.832 535 HD1 TYR 67 HD2 TYR 67 3.290 -0.399 -8.961 536 HD2 TYR 67 HD1 TYR 67 5.407 1.976 -6.077 537 HE1 TYR 67 HE2 TYR 67 5.440 -1.013 -10.034 538 HE2 TYR 67 HE1 TYR 67 7.558 1.361 -7.148 539 HH TYR 67 HH TYR 67 8.140 -1.025 -8.859 540 H LEU 68 HN LEU 68 0.112 1.326 -8.210 541 HA LEU 68 HA LEU 68 -1.577 2.975 -6.369 542 HB2 LEU 68 HB2 LEU 68 -2.152 3.331 -8.703 543 HB3 LEU 68 HB1 LEU 68 -2.232 1.597 -8.994 544 HG LEU 68 HG LEU 68 -4.150 1.391 -7.501 545 HD11 LEU 68 HD11 LEU 68 -5.153 3.660 -6.685 546 HD12 LEU 68 HD12 LEU 68 -3.513 4.269 -6.910 547 HD13 LEU 68 HD13 LEU 68 -3.819 2.950 -5.779 548 HD21 LEU 68 HD21 LEU 68 -4.660 3.793 -9.257 549 HD22 LEU 68 HD22 LEU 68 -5.783 2.502 -8.829 550 HD23 LEU 68 HD23 LEU 68 -4.433 2.173 -9.916 551 H LEU 69 HN LEU 69 -2.346 1.922 -4.683 552 HA LEU 69 HA LEU 69 -2.498 -1.064 -4.716 553 HB2 LEU 69 HB2 LEU 69 -2.664 0.835 -2.349 554 HB3 LEU 69 HB1 LEU 69 -2.532 -0.921 -2.294 555 HG LEU 69 HG LEU 69 -0.452 0.939 -3.480 556 HD11 LEU 69 HD11 LEU 69 -0.657 1.034 -0.980 557 HD12 LEU 69 HD12 LEU 69 0.893 0.396 -1.529 558 HD13 LEU 69 HD13 LEU 69 -0.351 -0.702 -0.929 559 HD21 LEU 69 HD21 LEU 69 -0.182 -1.083 -4.631 560 HD22 LEU 69 HD22 LEU 69 -0.717 -2.059 -3.261 561 HD23 LEU 69 HD23 LEU 69 0.884 -1.321 -3.249 562 H ARG 70 HN ARG 70 -4.404 -2.055 -4.641 563 HA ARG 70 HA ARG 70 -6.869 -0.443 -4.042 564 HB2 ARG 70 HB2 ARG 70 -6.520 -2.520 -6.230 565 HB3 ARG 70 HB1 ARG 70 -8.006 -1.643 -5.851 566 HG2 ARG 70 HG2 ARG 70 -6.868 0.497 -6.333 567 HG3 ARG 70 HG1 ARG 70 -5.398 -0.390 -6.734 568 HD2 ARG 70 HD2 ARG 70 -8.048 -0.774 -8.148 569 HD3 ARG 70 HD1 ARG 70 -6.742 0.242 -8.754 570 HE ARG 70 HE ARG 70 -5.649 -2.325 -8.235 571 HH11 ARG 70 HH21 ARG 70 -7.968 -0.777 -10.309 572 HH12 ARG 70 HH22 ARG 70 -7.734 -1.906 -11.603 573 HH21 ARG 70 HH11 ARG 70 -5.361 -3.782 -9.924 574 HH22 ARG 70 HH12 ARG 70 -6.275 -3.599 -11.383 575 H SER 71 HN SER 71 -8.498 -1.515 -3.036 576 HA SER 71 HA SER 71 -9.487 -2.993 -1.549 577 HB2 SER 71 HB2 SER 71 -8.126 -5.237 -3.013 578 HB3 SER 71 HB1 SER 71 -9.723 -5.205 -2.277 579 HG SER 71 HG SER 71 -10.310 -4.760 -4.255 580 H VAL 72 HN VAL 72 -7.452 -1.881 -0.338 581 HA VAL 72 HA VAL 72 -5.857 -4.104 0.904 582 HB VAL 72 HB VAL 72 -4.381 -2.222 1.721 583 HG11 VAL 72 HG11 VAL 72 -4.653 -2.403 -1.290 584 HG12 VAL 72 HG12 VAL 72 -3.913 -3.654 -0.290 585 HG13 VAL 72 HG13 VAL 72 -3.190 -2.051 -0.371 586 HG21 VAL 72 HG21 VAL 72 -4.590 -0.038 0.827 587 HG22 VAL 72 HG22 VAL 72 -6.242 -0.473 1.263 588 HG23 VAL 72 HG23 VAL 72 -5.722 -0.561 -0.420 589 H VAL 73 HN VAL 73 -5.534 -3.992 3.187 590 HA VAL 73 HA VAL 73 -7.796 -2.671 4.658 591 HB VAL 73 HB VAL 73 -7.900 -5.171 4.596 592 HG11 VAL 73 HG11 VAL 73 -5.344 -5.416 4.596 593 HG12 VAL 73 HG12 VAL 73 -6.233 -6.514 5.651 594 HG13 VAL 73 HG13 VAL 73 -5.418 -5.106 6.332 595 HG21 VAL 73 HG21 VAL 73 -7.236 -4.084 7.346 596 HG22 VAL 73 HG22 VAL 73 -8.347 -5.399 6.959 597 HG23 VAL 73 HG23 VAL 73 -8.747 -3.742 6.504 598 H VAL 74 HN VAL 74 -7.301 -1.405 6.313 599 HA VAL 74 HA VAL 74 -4.464 -0.803 6.830 600 HB VAL 74 HB VAL 74 -6.883 0.458 8.142 601 HG11 VAL 74 HG11 VAL 74 -5.392 2.261 8.609 602 HG12 VAL 74 HG12 VAL 74 -4.175 1.641 7.492 603 HG13 VAL 74 HG13 VAL 74 -4.488 0.802 9.011 604 HG21 VAL 74 HG21 VAL 74 -6.732 2.163 6.341 605 HG22 VAL 74 HG22 VAL 74 -7.136 0.573 5.689 606 HG23 VAL 74 HG23 VAL 74 -5.491 1.196 5.545 607 H GLY 75 HN GLY 75 -3.407 -1.931 8.263 608 HA2 GLY 75 HA2 GLY 75 -4.817 -3.206 10.559 609 HA3 GLY 75 HA1 GLY 75 -3.226 -3.656 9.948 610 H GLU 76 HN GLU 76 -3.319 -3.340 12.546 611 HA GLU 76 HA GLU 76 -2.292 -0.585 13.146 612 HB2 GLU 76 HB2 GLU 76 -4.307 -1.380 14.436 613 HB3 GLU 76 HB1 GLU 76 -3.302 -2.665 15.106 614 HG2 GLU 76 HG2 GLU 76 -3.276 -0.847 16.689 615 HG3 GLU 76 HG1 GLU 76 -1.701 -0.869 15.901 616 H TYR 77 HN TYR 77 -0.190 -0.449 13.347 617 HA TYR 77 HA TYR 77 1.358 -2.717 14.526 618 HB2 TYR 77 HB2 TYR 77 1.626 -2.878 12.101 619 HB3 TYR 77 HB1 TYR 77 2.082 -1.175 12.015 620 HD1 TYR 77 HD2 TYR 77 3.050 -4.404 13.648 621 HD2 TYR 77 HD1 TYR 77 4.336 -0.546 12.266 622 HE1 TYR 77 HE2 TYR 77 5.406 -5.016 14.131 623 HE2 TYR 77 HE1 TYR 77 6.689 -1.157 12.748 624 HH TYR 77 HH TYR 77 7.796 -4.090 13.064 625 H ASN 78 HN ASN 78 2.549 -2.033 16.137 626 HA ASN 78 HA ASN 78 3.687 -0.652 17.627 627 HB2 ASN 78 HB2 ASN 78 5.166 -0.574 15.564 628 HB3 ASN 78 HB1 ASN 78 4.403 0.968 15.174 629 HD21 ASN 78 HD21 ASN 78 6.120 -0.670 17.891 630 HD22 ASN 78 HD22 ASN 78 6.854 0.744 18.476 631 H ASP 79 HN ASP 79 0.976 -0.131 17.410 632 HA ASP 79 HA ASP 79 -0.612 1.464 18.039 633 HB2 ASP 79 HB2 ASP 79 1.255 1.999 19.694 634 HB3 ASP 79 HB1 ASP 79 1.731 3.299 18.603 635 H ARG 80 HN ARG 80 1.417 1.739 15.455 636 HA ARG 80 HA ARG 80 0.285 4.329 14.488 637 HB2 ARG 80 HB2 ARG 80 2.544 2.584 13.452 638 HB3 ARG 80 HB1 ARG 80 1.927 3.993 12.591 639 HG2 ARG 80 HG2 ARG 80 2.493 5.447 14.461 640 HG3 ARG 80 HG1 ARG 80 2.998 4.060 15.425 641 HD2 ARG 80 HD2 ARG 80 4.972 5.157 14.467 642 HD3 ARG 80 HD1 ARG 80 4.770 3.564 13.740 643 HE ARG 80 HE ARG 80 3.432 5.577 12.160 644 HH11 ARG 80 HH21 ARG 80 6.544 4.276 12.996 645 HH12 ARG 80 HH22 ARG 80 7.267 4.728 11.487 646 HH21 ARG 80 HH11 ARG 80 4.386 6.157 10.206 647 HH22 ARG 80 HH12 ARG 80 6.054 5.791 9.919 648 H PHE 81 HN PHE 81 -0.065 4.196 11.966 649 HA PHE 81 HA PHE 81 -1.903 1.871 11.465 650 HB2 PHE 81 HB2 PHE 81 -2.019 4.755 10.546 651 HB3 PHE 81 HB1 PHE 81 -3.015 3.478 9.850 652 HD1 PHE 81 HD1 PHE 81 -4.714 2.313 11.200 653 HD2 PHE 81 HD2 PHE 81 -2.421 5.573 12.804 654 HE1 PHE 81 HE1 PHE 81 -6.323 2.522 13.076 655 HE2 PHE 81 HE2 PHE 81 -4.032 5.780 14.681 656 HZ PHE 81 HZ PHE 81 -5.982 4.254 14.815 657 H GLN 82 HN GLN 82 -1.668 0.718 9.667 658 HA GLN 82 HA GLN 82 0.094 1.646 7.475 659 HB2 GLN 82 HB2 GLN 82 1.353 -0.504 7.517 660 HB3 GLN 82 HB1 GLN 82 1.645 0.490 8.944 661 HG2 GLN 82 HG2 GLN 82 0.085 -0.842 10.255 662 HG3 GLN 82 HG1 GLN 82 -0.372 -1.777 8.832 663 HE21 GLN 82 HE21 GLN 82 0.466 -3.829 9.330 664 HE22 GLN 82 HE22 GLN 82 2.097 -4.133 9.695 665 H VAL 83 HN VAL 83 -0.020 0.217 5.611 666 HA VAL 83 HA VAL 83 -2.718 -1.057 5.347 667 HB VAL 83 HB VAL 83 -2.139 -0.785 2.827 668 HG11 VAL 83 HG11 VAL 83 -2.919 1.558 2.853 669 HG12 VAL 83 HG12 VAL 83 -2.566 1.652 4.579 670 HG13 VAL 83 HG13 VAL 83 -3.824 0.565 3.993 671 HG21 VAL 83 HG21 VAL 83 0.314 -0.230 3.450 672 HG22 VAL 83 HG22 VAL 83 -0.290 1.369 3.877 673 HG23 VAL 83 HG23 VAL 83 -0.460 0.775 2.225 674 H GLN 84 HN GLN 84 -2.841 -3.176 4.961 675 HA GLN 84 HA GLN 84 -0.288 -4.688 4.554 676 HB2 GLN 84 HB2 GLN 84 -2.980 -5.552 5.656 677 HB3 GLN 84 HB1 GLN 84 -1.601 -6.627 5.407 678 HG2 GLN 84 HG2 GLN 84 -0.231 -5.279 6.923 679 HG3 GLN 84 HG1 GLN 84 -1.560 -4.141 7.143 680 HE21 GLN 84 HE21 GLN 84 -1.013 -4.970 9.520 681 HE22 GLN 84 HE22 GLN 84 -1.934 -6.291 10.056 682 H VAL 85 HN VAL 85 0.091 -5.486 2.655 683 HA VAL 85 HA VAL 85 -2.051 -5.691 0.615 684 HB VAL 85 HB VAL 85 0.928 -6.136 0.267 685 HG11 VAL 85 HG11 VAL 85 0.452 -5.780 -2.072 686 HG12 VAL 85 HG12 VAL 85 -1.209 -5.313 -1.711 687 HG13 VAL 85 HG13 VAL 85 -0.693 -6.982 -1.479 688 HG21 VAL 85 HG21 VAL 85 0.957 -3.778 -0.557 689 HG22 VAL 85 HG22 VAL 85 0.566 -3.880 1.160 690 HG23 VAL 85 HG23 VAL 85 -0.713 -3.597 -0.021 691 H ASN 86 HN ASN 86 -2.888 -7.555 0.029 692 HA ASN 86 HA ASN 86 -1.467 -10.119 0.622 693 HB2 ASN 86 HB2 ASN 86 -4.384 -9.476 1.197 694 HB3 ASN 86 HB1 ASN 86 -3.676 -11.089 1.282 695 HD21 ASN 86 HD21 ASN 86 -4.634 -8.750 3.326 696 HD22 ASN 86 HD22 ASN 86 -3.460 -8.886 4.545 697 H LYS 87 HN LYS 87 -3.086 -11.902 -0.450 698 HA LYS 87 HA LYS 87 -2.769 -11.654 -3.255 699 HB2 LYS 87 HB2 LYS 87 -4.233 -13.662 -3.385 700 HB3 LYS 87 HB1 LYS 87 -2.998 -13.832 -2.140 701 HG2 LYS 87 HG2 LYS 87 -4.662 -13.108 -0.432 702 HG3 LYS 87 HG1 LYS 87 -5.892 -13.036 -1.691 703 HD2 LYS 87 HD2 LYS 87 -5.519 -15.443 -2.173 704 HD3 LYS 87 HD1 LYS 87 -4.344 -15.507 -0.859 705 HE2 LYS 87 HE2 LYS 87 -7.275 -14.774 -0.573 706 HE3 LYS 87 HE1 LYS 87 -6.546 -16.307 -0.094 707 HZ1 LYS 87 HZ1 LYS 87 -6.764 -14.813 1.788 708 HZ2 LYS 87 HZ2 LYS 87 -5.835 -13.634 0.991 709 HZ3 LYS 87 HZ3 LYS 87 -5.127 -15.109 1.452 710 H ASN 88 HN ASN 88 -5.503 -10.905 -1.158 711 HA ASN 88 HA ASN 88 -7.485 -10.523 -3.193 712 HB2 ASN 88 HB2 ASN 88 -8.062 -10.715 -0.801 713 HB3 ASN 88 HB1 ASN 88 -7.233 -9.193 -0.470 714 HD21 ASN 88 HD21 ASN 88 -9.035 -7.890 0.080 715 HD22 ASN 88 HD22 ASN 88 -10.327 -7.570 -0.974 716 H SER 89 HN SER 89 -5.064 -8.404 -1.746 717 HA SER 89 HA SER 89 -5.947 -5.996 -3.078 718 HB2 SER 89 HB2 SER 89 -3.185 -6.557 -1.982 719 HB3 SER 89 HB1 SER 89 -3.958 -4.990 -2.201 720 HG SER 89 HG SER 89 -4.395 -6.972 -0.272 721 H SER 90 HN SER 90 -4.812 -4.862 -4.725 722 HA SER 90 HA SER 90 -3.154 -6.573 -6.549 723 HB2 SER 90 HB2 SER 90 -4.326 -5.582 -8.458 724 HB3 SER 90 HB1 SER 90 -5.469 -6.406 -7.407 725 HG SER 90 HG SER 90 -5.922 -4.341 -6.475 726 H ILE 91 HN ILE 91 -1.641 -5.461 -7.782 727 HA ILE 91 HA ILE 91 -1.060 -2.634 -6.943 728 HB ILE 91 HB ILE 91 0.905 -4.891 -7.469 729 HG12 ILE 91 HG12 ILE 91 0.418 -3.332 -4.919 730 HG13 ILE 91 HG11 ILE 91 -0.367 -4.874 -5.255 731 HG21 ILE 91 HG21 ILE 91 1.267 -1.949 -6.838 732 HG22 ILE 91 HG22 ILE 91 1.848 -2.818 -8.259 733 HG23 ILE 91 HG23 ILE 91 2.560 -3.137 -6.680 734 HD11 ILE 91 HD11 ILE 91 2.637 -4.484 -5.316 735 HD12 ILE 91 HD12 ILE 91 1.756 -6.010 -5.382 736 HD13 ILE 91 HD13 ILE 91 1.759 -5.059 -3.898 737 H GLU 92 HN GLU 92 -0.763 -1.249 -8.563 738 HA GLU 92 HA GLU 92 -0.229 -2.306 -11.322 739 HB2 GLU 92 HB2 GLU 92 -2.627 -1.716 -11.094 740 HB3 GLU 92 HB1 GLU 92 -2.170 -0.085 -10.607 741 HG2 GLU 92 HG2 GLU 92 -1.047 0.279 -12.754 742 HG3 GLU 92 HG1 GLU 92 -1.400 -1.378 -13.241 743 H LYS 93 HN LYS 93 1.305 -1.278 -12.388 744 HA LYS 93 HA LYS 93 2.865 0.797 -11.050 745 HB2 LYS 93 HB2 LYS 93 3.998 -0.988 -12.325 746 HB3 LYS 93 HB1 LYS 93 3.197 -0.445 -13.802 747 HG2 LYS 93 HG2 LYS 93 4.300 1.736 -13.644 748 HG3 LYS 93 HG1 LYS 93 5.029 1.279 -12.105 749 HD2 LYS 93 HD2 LYS 93 6.277 -0.522 -13.231 750 HD3 LYS 93 HD1 LYS 93 5.531 -0.085 -14.768 751 HE2 LYS 93 HE2 LYS 93 7.781 0.912 -14.569 752 HE3 LYS 93 HE1 LYS 93 6.541 2.165 -14.622 753 HZ1 LYS 93 HZ1 LYS 93 6.752 2.585 -12.373 754 HZ2 LYS 93 HZ2 LYS 93 8.361 2.303 -12.839 755 HZ3 LYS 93 HZ3 LYS 93 7.478 1.088 -12.043 756 H LEU 94 HN LEU 94 2.864 2.892 -11.462 757 HA LEU 94 HA LEU 94 0.935 3.962 -13.477 758 HB2 LEU 94 HB2 LEU 94 2.337 5.378 -11.182 759 HB3 LEU 94 HB1 LEU 94 1.035 6.024 -12.182 760 HG LEU 94 HG LEU 94 0.818 3.589 -10.384 761 HD11 LEU 94 HD11 LEU 94 -0.441 4.936 -8.888 762 HD12 LEU 94 HD12 LEU 94 -0.593 6.243 -10.063 763 HD13 LEU 94 HD13 LEU 94 0.962 5.921 -9.300 764 HD21 LEU 94 HD21 LEU 94 -0.732 3.201 -12.095 765 HD22 LEU 94 HD22 LEU 94 -1.043 4.920 -12.349 766 HD23 LEU 94 HD23 LEU 94 -1.708 4.099 -10.939 767 H SER 95 HN SER 95 1.624 5.066 -15.190 768 HA SER 95 HA SER 95 4.474 5.144 -15.823 769 HB2 SER 95 HB2 SER 95 3.722 6.082 -17.972 770 HB3 SER 95 HB1 SER 95 2.757 4.670 -17.556 771 HG SER 95 HG SER 95 1.096 5.941 -17.664 772 H GLU 96 HN GLU 96 2.444 7.110 -14.050 773 HA GLU 96 HA GLU 96 3.979 9.557 -14.719 774 HB2 GLU 96 HB2 GLU 96 1.495 9.639 -14.953 775 HB3 GLU 96 HB1 GLU 96 1.394 9.459 -13.201 776 HG2 GLU 96 HG2 GLU 96 1.353 11.803 -13.530 777 HG3 GLU 96 HG1 GLU 96 3.028 11.468 -13.094 778 HA PRO 97 HA PRO 97 5.761 8.765 -10.630 779 HB2 PRO 97 HB2 PRO 97 7.599 10.792 -10.659 780 HB3 PRO 97 HB1 PRO 97 7.821 9.276 -11.555 781 HG2 PRO 97 HG2 PRO 97 6.967 11.954 -12.545 782 HG3 PRO 97 HG1 PRO 97 7.993 10.736 -13.323 783 HD2 PRO 97 HD2 PRO 97 5.328 11.142 -13.920 784 HD3 PRO 97 HD1 PRO 97 6.206 9.613 -14.219 785 H ILE 98 HN ILE 98 5.724 9.787 -8.568 786 HA ILE 98 HA ILE 98 3.912 12.175 -8.418 787 HB ILE 98 HB ILE 98 4.424 9.943 -6.430 788 HG12 ILE 98 HG12 ILE 98 1.893 10.713 -7.912 789 HG13 ILE 98 HG11 ILE 98 3.003 9.466 -8.481 790 HG21 ILE 98 HG21 ILE 98 2.499 11.083 -5.217 791 HG22 ILE 98 HG22 ILE 98 2.753 12.463 -6.284 792 HG23 ILE 98 HG23 ILE 98 4.031 11.956 -5.181 793 HD11 ILE 98 HD11 ILE 98 2.729 8.307 -6.266 794 HD12 ILE 98 HD12 ILE 98 1.244 8.384 -7.215 795 HD13 ILE 98 HD13 ILE 98 1.482 9.487 -5.860 796 H GLU 99 HN GLU 99 4.693 13.992 -7.644 797 HA GLU 99 HA GLU 99 7.459 14.136 -6.654 798 HB2 GLU 99 HB2 GLU 99 5.390 16.271 -7.281 799 HB3 GLU 99 HB1 GLU 99 7.019 16.622 -6.701 800 HG2 GLU 99 HG2 GLU 99 7.983 15.458 -8.640 801 HG3 GLU 99 HG1 GLU 99 6.371 15.051 -9.217 802 H VAL 100 HN VAL 100 8.063 14.531 -4.620 803 HA VAL 100 HA VAL 100 5.937 14.742 -2.516 804 HB VAL 100 HB VAL 100 7.737 13.882 -0.990 805 HG11 VAL 100 HG11 VAL 100 6.151 12.293 -1.806 806 HG12 VAL 100 HG12 VAL 100 7.736 11.547 -2.015 807 HG13 VAL 100 HG13 VAL 100 6.902 12.256 -3.401 808 HG21 VAL 100 HG21 VAL 100 9.786 13.003 -1.887 809 HG22 VAL 100 HG22 VAL 100 9.635 14.643 -2.518 810 HG23 VAL 100 HG23 VAL 100 9.249 13.263 -3.547 811 H GLY 101 HN GLY 101 8.189 16.576 -4.172 812 HA2 GLY 101 HA2 GLY 101 7.941 19.015 -3.217 813 HA3 GLY 101 HA1 GLY 101 8.816 18.343 -1.840 814 H LEU 102 HN LEU 102 9.239 17.710 -5.314 815 HA LEU 102 HA LEU 102 12.145 18.208 -5.066 816 HB2 LEU 102 HB2 LEU 102 10.333 17.102 -7.228 817 HB3 LEU 102 HB1 LEU 102 12.005 17.543 -7.587 818 HG LEU 102 HG LEU 102 12.789 16.049 -5.788 819 HD11 LEU 102 HD11 LEU 102 10.982 14.401 -4.917 820 HD12 LEU 102 HD12 LEU 102 9.820 15.623 -5.435 821 HD13 LEU 102 HD13 LEU 102 11.029 16.016 -4.213 822 HD21 LEU 102 HD21 LEU 102 12.311 13.945 -6.919 823 HD22 LEU 102 HD22 LEU 102 12.475 15.215 -8.132 824 HD23 LEU 102 HD23 LEU 102 10.873 14.637 -7.672 825 H GLU 103 HN GLU 103 9.398 19.979 -5.693 826 HA GLU 103 HA GLU 103 10.234 21.713 -7.819 827 HB2 GLU 103 HB2 GLU 103 8.487 23.263 -6.861 828 HB3 GLU 103 HB1 GLU 103 7.898 21.634 -7.196 829 HG2 GLU 103 HG2 GLU 103 8.209 21.026 -4.823 830 HG3 GLU 103 HG1 GLU 103 8.813 22.644 -4.482 831 H HIS 104 HN HIS 104 10.377 24.165 -7.273 832 HA HIS 104 HA HIS 104 12.884 24.683 -6.083 833 HB2 HIS 104 HB2 HIS 104 12.138 27.093 -6.126 834 HB3 HIS 104 HB1 HIS 104 11.914 26.254 -7.659 835 HD1 HIS 104 HD1 HIS 104 9.397 25.280 -8.050 836 HD2 HIS 104 HD2 HIS 104 9.812 28.205 -5.111 837 HE1 HIS 104 HE1 HIS 104 7.072 26.175 -7.599 838 H HIS 105 HN HIS 105 9.600 25.031 -4.744 839 HA HIS 105 HA HIS 105 10.668 24.685 -2.033 840 HB2 HIS 105 HB2 HIS 105 9.461 27.306 -2.944 841 HB3 HIS 105 HB1 HIS 105 9.521 26.826 -1.248 842 HD1 HIS 105 HD1 HIS 105 11.963 26.403 -0.232 843 HD2 HIS 105 HD2 HIS 105 11.889 28.264 -3.963 844 HE1 HIS 105 HE1 HIS 105 14.275 27.372 -0.597 845 H HIS 106 HN HIS 106 9.306 23.287 -1.172 846 HA HIS 106 HA HIS 106 6.485 23.132 -2.080 847 HB2 HIS 106 HB2 HIS 106 7.768 21.037 -1.907 848 HB3 HIS 106 HB1 HIS 106 8.090 21.358 -0.201 849 HD1 HIS 106 HD1 HIS 106 5.097 20.915 -2.524 850 HD2 HIS 106 HD2 HIS 106 6.117 20.394 1.484 851 HE1 HIS 106 HE1 HIS 106 3.100 19.822 -1.413 852 H HIS 107 HN HIS 107 8.266 24.682 0.291 853 HA HIS 107 HA HIS 107 6.654 24.440 2.631 854 HB2 HIS 107 HB2 HIS 107 8.898 25.476 2.635 855 HB3 HIS 107 HB1 HIS 107 8.286 26.817 1.664 856 HD1 HIS 107 HD1 HIS 107 7.705 25.176 5.047 857 HD2 HIS 107 HD2 HIS 107 7.096 28.842 3.158 858 HE1 HIS 107 HE1 HIS 107 6.862 26.768 6.827 859 H HIS 108 HN HIS 108 6.517 26.673 -0.112 860 HA HIS 108 HA HIS 108 4.236 28.142 0.940 861 HB2 HIS 108 HB2 HIS 108 5.985 29.089 -0.619 862 HB3 HIS 108 HB1 HIS 108 5.292 28.098 -1.904 863 HD1 HIS 108 HD1 HIS 108 2.894 28.719 -2.735 864 HD2 HIS 108 HD2 HIS 108 4.413 31.315 0.152 865 HE1 HIS 108 HE1 HIS 108 1.382 30.752 -2.731 866 H HIS 109 HN HIS 109 2.161 27.640 0.722 867 HA HIS 109 HA HIS 109 1.062 26.258 -1.570 868 HB2 HIS 109 HB2 HIS 109 0.363 24.202 -0.478 869 HB3 HIS 109 HB1 HIS 109 2.109 24.363 -0.312 870 HD1 HIS 109 HD1 HIS 109 2.985 25.267 2.035 871 HD2 HIS 109 HD2 HIS 109 -1.016 24.100 1.981 872 HE1 HIS 109 HE1 HIS 109 2.279 25.031 4.452 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -10.897 3.880 -12.822 2 H2 MET 1 HT2 MET 1 -11.783 2.602 -13.505 3 H3 MET 1 HT3 MET 1 -12.116 3.121 -11.922 4 HA MET 1 HA MET 1 -12.362 5.014 -14.159 5 HB2 MET 1 HB2 MET 1 -13.642 2.984 -14.791 6 HB3 MET 1 HB1 MET 1 -14.488 3.052 -13.246 7 HG2 MET 1 HG2 MET 1 -15.415 5.246 -13.818 8 HG3 MET 1 HG1 MET 1 -14.515 5.251 -15.335 9 HE1 MET 1 HE1 MET 1 -18.219 2.842 -14.179 10 HE2 MET 1 HE2 MET 1 -17.809 4.475 -13.660 11 HE3 MET 1 HE3 MET 1 -16.821 3.117 -13.131 12 H GLU 2 HN GLU 2 -13.055 3.836 -10.928 13 HA GLU 2 HA GLU 2 -13.368 6.570 -9.966 14 HB2 GLU 2 HB2 GLU 2 -15.674 5.871 -10.880 15 HB3 GLU 2 HB1 GLU 2 -15.733 4.736 -9.530 16 HG2 GLU 2 HG2 GLU 2 -15.451 6.569 -7.934 17 HG3 GLU 2 HG1 GLU 2 -15.283 7.725 -9.255 18 HA PRO 3 HA PRO 3 -11.888 3.005 -7.143 19 HB2 PRO 3 HB2 PRO 3 -9.281 3.921 -6.908 20 HB3 PRO 3 HB1 PRO 3 -9.812 2.732 -8.116 21 HG2 PRO 3 HG2 PRO 3 -9.418 5.682 -8.424 22 HG3 PRO 3 HG1 PRO 3 -8.944 4.366 -9.512 23 HD2 PRO 3 HD2 PRO 3 -11.141 5.850 -9.994 24 HD3 PRO 3 HD1 PRO 3 -11.113 4.106 -10.352 25 H GLN 4 HN GLN 4 -11.813 3.263 -4.903 26 HA GLN 4 HA GLN 4 -12.334 5.973 -3.891 27 HB2 GLN 4 HB2 GLN 4 -12.258 3.246 -2.576 28 HB3 GLN 4 HB1 GLN 4 -12.603 4.737 -1.698 29 HG2 GLN 4 HG2 GLN 4 -14.726 3.786 -2.315 30 HG3 GLN 4 HG1 GLN 4 -14.460 5.171 -3.373 31 HE21 GLN 4 HE21 GLN 4 -15.593 4.401 -5.237 32 HE22 GLN 4 HE22 GLN 4 -15.133 3.008 -6.090 33 H LEU 5 HN LEU 5 -10.299 6.984 -4.182 34 HA LEU 5 HA LEU 5 -7.863 5.866 -3.047 35 HB2 LEU 5 HB2 LEU 5 -8.671 8.498 -4.252 36 HB3 LEU 5 HB1 LEU 5 -7.163 8.421 -3.344 37 HG LEU 5 HG LEU 5 -6.917 8.007 -5.821 38 HD11 LEU 5 HD11 LEU 5 -6.124 5.430 -4.518 39 HD12 LEU 5 HD12 LEU 5 -5.493 6.914 -3.807 40 HD13 LEU 5 HD13 LEU 5 -5.176 6.546 -5.497 41 HD21 LEU 5 HD21 LEU 5 -8.200 5.329 -5.264 42 HD22 LEU 5 HD22 LEU 5 -7.784 6.040 -6.820 43 HD23 LEU 5 HD23 LEU 5 -9.129 6.694 -5.885 44 H THR 6 HN THR 6 -6.914 6.315 -1.100 45 HA THR 6 HA THR 6 -8.510 7.950 0.857 46 HB THR 6 HB THR 6 -6.936 5.411 1.374 47 HG1 THR 6 HG1 THR 6 -9.458 5.898 0.605 48 HG21 THR 6 HG21 THR 6 -8.142 5.686 3.639 49 HG22 THR 6 HG22 THR 6 -8.392 7.364 3.156 50 HG23 THR 6 HG23 THR 6 -6.755 6.730 3.328 51 H LYS 7 HN LYS 7 -7.414 9.556 1.782 52 HA LYS 7 HA LYS 7 -4.554 9.908 1.200 53 HB2 LYS 7 HB2 LYS 7 -6.602 11.618 2.630 54 HB3 LYS 7 HB1 LYS 7 -4.917 12.091 2.419 55 HG2 LYS 7 HG2 LYS 7 -5.164 11.917 -0.025 56 HG3 LYS 7 HG1 LYS 7 -6.845 11.423 0.174 57 HD2 LYS 7 HD2 LYS 7 -7.360 13.570 1.262 58 HD3 LYS 7 HD1 LYS 7 -5.676 14.067 1.093 59 HE2 LYS 7 HE2 LYS 7 -5.865 13.904 -1.359 60 HE3 LYS 7 HE1 LYS 7 -7.545 13.392 -1.199 61 HZ1 LYS 7 HZ1 LYS 7 -8.172 15.493 -1.017 62 HZ2 LYS 7 HZ2 LYS 7 -6.574 15.982 -1.318 63 HZ3 LYS 7 HZ3 LYS 7 -7.109 15.758 0.278 64 H ILE 8 HN ILE 8 -3.011 10.396 2.929 65 HA ILE 8 HA ILE 8 -3.044 8.460 5.036 66 HB ILE 8 HB ILE 8 -1.406 11.008 4.913 67 HG12 ILE 8 HG12 ILE 8 -1.172 9.865 2.787 68 HG13 ILE 8 HG11 ILE 8 0.283 9.563 3.735 69 HG21 ILE 8 HG21 ILE 8 0.259 9.544 6.114 70 HG22 ILE 8 HG22 ILE 8 -1.005 8.323 6.254 71 HG23 ILE 8 HG23 ILE 8 -1.202 9.888 7.041 72 HD11 ILE 8 HD11 ILE 8 -1.974 7.687 3.083 73 HD12 ILE 8 HD12 ILE 8 -0.997 7.407 4.521 74 HD13 ILE 8 HD13 ILE 8 -0.237 7.427 2.930 75 H VAL 9 HN VAL 9 -3.706 11.951 4.995 76 HA VAL 9 HA VAL 9 -4.141 12.200 7.814 77 HB VAL 9 HB VAL 9 -3.741 14.110 6.251 78 HG11 VAL 9 HG11 VAL 9 -5.345 13.146 4.505 79 HG12 VAL 9 HG12 VAL 9 -5.442 14.885 4.782 80 HG13 VAL 9 HG13 VAL 9 -6.648 13.810 5.490 81 HG21 VAL 9 HG21 VAL 9 -4.814 14.359 8.528 82 HG22 VAL 9 HG22 VAL 9 -6.381 14.358 7.718 83 HG23 VAL 9 HG23 VAL 9 -5.217 15.642 7.386 84 H ASP 10 HN ASP 10 -6.105 10.921 5.245 85 HA ASP 10 HA ASP 10 -8.648 11.218 6.635 86 HB2 ASP 10 HB2 ASP 10 -7.764 9.466 4.325 87 HB3 ASP 10 HB1 ASP 10 -9.415 9.486 4.945 88 H ILE 11 HN ILE 11 -5.946 9.295 7.190 89 HA ILE 11 HA ILE 11 -7.403 6.910 8.109 90 HB ILE 11 HB ILE 11 -4.494 7.740 8.370 91 HG12 ILE 11 HG12 ILE 11 -5.769 5.568 6.681 92 HG13 ILE 11 HG11 ILE 11 -5.426 7.186 6.070 93 HG21 ILE 11 HG21 ILE 11 -5.969 5.235 9.207 94 HG22 ILE 11 HG22 ILE 11 -4.952 6.275 10.203 95 HG23 ILE 11 HG23 ILE 11 -4.225 5.265 8.953 96 HD11 ILE 11 HD11 ILE 11 -3.026 6.861 6.742 97 HD12 ILE 11 HD12 ILE 11 -3.565 5.750 5.482 98 HD13 ILE 11 HD13 ILE 11 -3.418 5.191 7.148 99 H VAL 12 HN VAL 12 -8.395 6.845 10.044 100 HA VAL 12 HA VAL 12 -7.239 8.389 12.335 101 HB VAL 12 HB VAL 12 -9.616 8.883 13.034 102 HG11 VAL 12 HG11 VAL 12 -9.906 10.715 11.317 103 HG12 VAL 12 HG12 VAL 12 -8.556 10.009 10.427 104 HG13 VAL 12 HG13 VAL 12 -8.303 10.653 12.049 105 HG21 VAL 12 HG21 VAL 12 -10.192 8.052 10.171 106 HG22 VAL 12 HG22 VAL 12 -11.353 8.744 11.302 107 HG23 VAL 12 HG23 VAL 12 -10.675 7.145 11.603 108 H GLU 13 HN GLU 13 -9.045 5.606 11.157 109 HA GLU 13 HA GLU 13 -8.613 4.297 13.819 110 HB2 GLU 13 HB2 GLU 13 -11.152 4.297 12.174 111 HB3 GLU 13 HB1 GLU 13 -10.846 3.175 13.501 112 HG2 GLU 13 HG2 GLU 13 -10.566 5.040 15.058 113 HG3 GLU 13 HG1 GLU 13 -10.785 6.196 13.744 114 H ASN 14 HN ASN 14 -8.359 2.039 13.737 115 HA ASN 14 HA ASN 14 -7.090 1.080 11.295 116 HB2 ASN 14 HB2 ASN 14 -6.610 -0.931 12.618 117 HB3 ASN 14 HB1 ASN 14 -6.222 0.517 13.548 118 HD21 ASN 14 HD21 ASN 14 -6.546 -1.163 15.407 119 HD22 ASN 14 HD22 ASN 14 -8.123 -1.335 16.010 120 H GLY 15 HN GLY 15 -7.663 -1.105 10.411 121 HA2 GLY 15 HA2 GLY 15 -9.195 -2.636 9.513 122 HA3 GLY 15 HA1 GLY 15 -10.314 -2.185 10.797 123 H GLN 16 HN GLN 16 -9.326 -1.537 7.510 124 HA GLN 16 HA GLN 16 -11.931 -0.485 6.852 125 HB2 GLN 16 HB2 GLN 16 -11.029 1.543 7.920 126 HB3 GLN 16 HB1 GLN 16 -9.625 1.489 6.852 127 HG2 GLN 16 HG2 GLN 16 -11.026 1.814 4.897 128 HG3 GLN 16 HG1 GLN 16 -12.489 1.678 5.872 129 HE21 GLN 16 HE21 GLN 16 -9.438 3.624 5.962 130 HE22 GLN 16 HE22 GLN 16 -10.219 5.088 6.321 131 H TRP 17 HN TRP 17 -12.269 -0.944 4.738 132 HA TRP 17 HA TRP 17 -9.943 -1.812 3.099 133 HB2 TRP 17 HB2 TRP 17 -12.942 -2.149 2.847 134 HB3 TRP 17 HB1 TRP 17 -11.832 -2.600 1.553 135 HD1 TRP 17 HD1 TRP 17 -13.137 -3.726 4.891 136 HE1 TRP 17 HE1 TRP 17 -12.084 -5.999 5.507 137 HE3 TRP 17 HE3 TRP 17 -9.558 -4.046 1.266 138 HZ2 TRP 17 HZ2 TRP 17 -9.997 -7.725 4.580 139 HZ3 TRP 17 HZ3 TRP 17 -8.052 -6.011 1.154 140 HH2 TRP 17 HH2 TRP 17 -8.267 -7.850 2.805 141 H ALA 18 HN ALA 18 -9.239 -0.639 1.355 142 HA ALA 18 HA ALA 18 -10.923 1.094 -0.199 143 HB1 ALA 18 HB1 ALA 18 -9.805 3.271 0.492 144 HB2 ALA 18 HB2 ALA 18 -9.213 2.417 1.917 145 HB3 ALA 18 HB3 ALA 18 -10.947 2.607 1.660 146 H ASN 19 HN ASN 19 -9.414 2.658 -1.543 147 HA ASN 19 HA ASN 19 -7.040 1.035 -2.377 148 HB2 ASN 19 HB2 ASN 19 -8.689 3.130 -3.819 149 HB3 ASN 19 HB1 ASN 19 -7.221 2.408 -4.479 150 HD21 ASN 19 HD21 ASN 19 -9.675 2.015 -5.825 151 HD22 ASN 19 HD22 ASN 19 -10.141 0.391 -5.668 152 H LEU 20 HN LEU 20 -5.011 2.033 -2.541 153 HA LEU 20 HA LEU 20 -4.804 4.907 -1.779 154 HB2 LEU 20 HB2 LEU 20 -4.580 3.647 0.311 155 HB3 LEU 20 HB1 LEU 20 -3.322 2.644 -0.406 156 HG LEU 20 HG LEU 20 -2.805 5.570 -0.637 157 HD11 LEU 20 HD11 LEU 20 -2.079 5.785 1.726 158 HD12 LEU 20 HD12 LEU 20 -2.821 4.225 2.080 159 HD13 LEU 20 HD13 LEU 20 -3.824 5.586 1.578 160 HD21 LEU 20 HD21 LEU 20 -0.566 4.917 -0.230 161 HD22 LEU 20 HD22 LEU 20 -1.238 3.563 -1.134 162 HD23 LEU 20 HD23 LEU 20 -1.050 3.447 0.615 163 H LYS 21 HN LYS 21 -3.276 5.939 -2.928 164 HA LYS 21 HA LYS 21 -1.337 4.304 -4.545 165 HB2 LYS 21 HB2 LYS 21 -3.111 5.557 -5.830 166 HB3 LYS 21 HB1 LYS 21 -2.423 7.056 -5.205 167 HG2 LYS 21 HG2 LYS 21 -0.197 6.301 -6.158 168 HG3 LYS 21 HG1 LYS 21 -1.067 4.995 -6.960 169 HD2 LYS 21 HD2 LYS 21 -1.745 7.933 -7.277 170 HD3 LYS 21 HD1 LYS 21 -0.739 7.028 -8.405 171 HE2 LYS 21 HE2 LYS 21 -2.855 6.873 -9.398 172 HE3 LYS 21 HE1 LYS 21 -2.774 5.367 -8.485 173 HZ1 LYS 21 HZ1 LYS 21 -3.721 7.303 -6.745 174 HZ2 LYS 21 HZ2 LYS 21 -4.590 6.011 -7.423 175 HZ3 LYS 21 HZ3 LYS 21 -4.574 7.525 -8.194 176 H ALA 22 HN ALA 22 0.831 4.958 -4.465 177 HA ALA 22 HA ALA 22 1.579 7.532 -3.308 178 HB1 ALA 22 HB1 ALA 22 2.099 5.012 -1.718 179 HB2 ALA 22 HB2 ALA 22 0.996 6.307 -1.261 180 HB3 ALA 22 HB3 ALA 22 2.729 6.614 -1.336 181 H LYS 23 HN LYS 23 4.116 7.303 -2.704 182 HA LYS 23 HA LYS 23 5.391 5.943 -5.056 183 HB2 LYS 23 HB2 LYS 23 5.527 8.426 -5.038 184 HB3 LYS 23 HB1 LYS 23 6.355 8.343 -3.483 185 HG2 LYS 23 HG2 LYS 23 8.171 7.040 -4.493 186 HG3 LYS 23 HG1 LYS 23 7.334 7.053 -6.046 187 HD2 LYS 23 HD2 LYS 23 7.468 9.518 -6.095 188 HD3 LYS 23 HD1 LYS 23 8.324 9.499 -4.552 189 HE2 LYS 23 HE2 LYS 23 10.140 8.183 -5.557 190 HE3 LYS 23 HE1 LYS 23 9.283 8.159 -7.098 191 HZ1 LYS 23 HZ1 LYS 23 9.697 10.778 -5.914 192 HZ2 LYS 23 HZ2 LYS 23 9.821 10.284 -7.534 193 HZ3 LYS 23 HZ3 LYS 23 11.098 9.989 -6.454 194 H VAL 24 HN VAL 24 7.049 4.528 -4.684 195 HA VAL 24 HA VAL 24 7.491 3.689 -1.899 196 HB VAL 24 HB VAL 24 8.555 2.664 -4.544 197 HG11 VAL 24 HG11 VAL 24 9.169 0.647 -3.087 198 HG12 VAL 24 HG12 VAL 24 8.966 1.718 -1.701 199 HG13 VAL 24 HG13 VAL 24 10.195 2.072 -2.915 200 HG21 VAL 24 HG21 VAL 24 6.921 0.951 -4.326 201 HG22 VAL 24 HG22 VAL 24 6.066 2.430 -3.889 202 HG23 VAL 24 HG23 VAL 24 6.629 1.332 -2.630 203 H ILE 25 HN ILE 25 8.713 5.276 -0.878 204 HA ILE 25 HA ILE 25 10.995 6.583 -2.034 205 HB ILE 25 HB ILE 25 10.204 6.091 0.853 206 HG12 ILE 25 HG12 ILE 25 10.038 8.613 -0.822 207 HG13 ILE 25 HG11 ILE 25 8.694 7.488 -0.628 208 HG21 ILE 25 HG21 ILE 25 11.786 8.054 1.264 209 HG22 ILE 25 HG22 ILE 25 12.414 7.769 -0.360 210 HG23 ILE 25 HG23 ILE 25 12.561 6.519 0.875 211 HD11 ILE 25 HD11 ILE 25 8.464 7.951 1.662 212 HD12 ILE 25 HD12 ILE 25 8.847 9.533 0.987 213 HD13 ILE 25 HD13 ILE 25 10.098 8.598 1.799 214 H GLN 26 HN GLN 26 10.687 3.766 0.134 215 HA GLN 26 HA GLN 26 13.013 2.488 -0.985 216 HB2 GLN 26 HB2 GLN 26 14.482 2.621 0.978 217 HB3 GLN 26 HB1 GLN 26 14.169 4.226 0.320 218 HG2 GLN 26 HG2 GLN 26 12.317 4.467 2.002 219 HG3 GLN 26 HG1 GLN 26 12.860 2.958 2.734 220 HE21 GLN 26 HE21 GLN 26 13.683 3.864 4.695 221 HE22 GLN 26 HE22 GLN 26 15.005 4.927 4.734 222 H LEU 27 HN LEU 27 13.233 0.361 -0.236 223 HA LEU 27 HA LEU 27 11.486 -0.540 1.972 224 HB2 LEU 27 HB2 LEU 27 10.925 -2.543 0.219 225 HB3 LEU 27 HB1 LEU 27 9.896 -1.128 0.407 226 HG LEU 27 HG LEU 27 11.069 -0.017 -1.468 227 HD11 LEU 27 HD11 LEU 27 12.684 -2.569 -1.390 228 HD12 LEU 27 HD12 LEU 27 13.261 -0.907 -1.474 229 HD13 LEU 27 HD13 LEU 27 12.525 -1.651 -2.888 230 HD21 LEU 27 HD21 LEU 27 9.064 -1.378 -1.909 231 HD22 LEU 27 HD22 LEU 27 10.070 -2.815 -2.086 232 HD23 LEU 27 HD23 LEU 27 10.201 -1.498 -3.252 233 H TRP 28 HN TRP 28 12.358 -2.202 3.118 234 HA TRP 28 HA TRP 28 14.906 -3.397 2.054 235 HB2 TRP 28 HB2 TRP 28 14.147 -2.907 4.948 236 HB3 TRP 28 HB1 TRP 28 15.691 -3.514 4.346 237 HD1 TRP 28 HD1 TRP 28 16.478 -1.670 2.107 238 HE1 TRP 28 HE1 TRP 28 16.880 0.852 2.447 239 HE3 TRP 28 HE3 TRP 28 13.830 -0.928 6.408 240 HZ2 TRP 28 HZ2 TRP 28 16.175 2.913 4.299 241 HZ3 TRP 28 HZ3 TRP 28 13.709 1.323 7.438 242 HH2 TRP 28 HH2 TRP 28 14.878 3.243 6.390 243 H GLU 29 HN GLU 29 15.202 -5.583 2.340 244 HA GLU 29 HA GLU 29 12.896 -7.251 2.332 245 HB2 GLU 29 HB2 GLU 29 14.562 -9.129 2.507 246 HB3 GLU 29 HB1 GLU 29 14.898 -7.986 1.209 247 HG2 GLU 29 HG2 GLU 29 16.151 -7.644 3.937 248 HG3 GLU 29 HG1 GLU 29 16.873 -8.711 2.736 249 H ASN 30 HN ASN 30 12.010 -8.601 3.895 250 HA ASN 30 HA ASN 30 12.574 -7.820 6.697 251 HB2 ASN 30 HB2 ASN 30 10.458 -8.670 7.217 252 HB3 ASN 30 HB1 ASN 30 10.225 -8.115 5.563 253 HD21 ASN 30 HD21 ASN 30 11.363 -10.210 4.065 254 HD22 ASN 30 HD22 ASN 30 10.524 -11.651 4.371 255 H THR 31 HN THR 31 12.292 -9.817 8.276 256 HA THR 31 HA THR 31 14.185 -11.968 7.369 257 HB THR 31 HB THR 31 14.854 -12.143 9.730 258 HG1 THR 31 HG1 THR 31 13.891 -10.962 11.259 259 HG21 THR 31 HG21 THR 31 15.918 -9.901 9.952 260 HG22 THR 31 HG22 THR 31 14.885 -9.311 8.650 261 HG23 THR 31 HG23 THR 31 16.081 -10.565 8.327 262 H HIS 32 HN HIS 32 11.014 -11.475 7.725 263 HA HIS 32 HA HIS 32 10.448 -14.051 9.149 264 HB2 HIS 32 HB2 HIS 32 8.678 -11.683 8.480 265 HB3 HIS 32 HB1 HIS 32 8.085 -13.187 9.186 266 HD1 HIS 32 HD1 HIS 32 10.744 -10.551 9.932 267 HD2 HIS 32 HD2 HIS 32 8.244 -13.215 11.942 268 HE1 HIS 32 HE1 HIS 32 11.088 -10.129 12.406 269 H GLU 33 HN GLU 33 9.520 -15.727 8.059 270 HA GLU 33 HA GLU 33 9.627 -15.801 5.190 271 HB2 GLU 33 HB2 GLU 33 9.879 -17.786 6.697 272 HB3 GLU 33 HB1 GLU 33 8.164 -17.670 7.082 273 HG2 GLU 33 HG2 GLU 33 8.407 -19.323 5.345 274 HG3 GLU 33 HG1 GLU 33 7.683 -17.896 4.607 275 H SER 34 HN SER 34 6.965 -15.369 7.496 276 HA SER 34 HA SER 34 4.822 -15.554 5.627 277 HB2 SER 34 HB2 SER 34 4.237 -15.597 7.926 278 HB3 SER 34 HB1 SER 34 5.127 -14.115 8.264 279 HG SER 34 HG SER 34 2.840 -13.805 8.081 280 H ILE 35 HN ILE 35 6.773 -12.761 6.664 281 HA ILE 35 HA ILE 35 5.338 -11.042 4.694 282 HB ILE 35 HB ILE 35 7.380 -10.352 6.826 283 HG12 ILE 35 HG12 ILE 35 4.412 -9.753 6.728 284 HG13 ILE 35 HG11 ILE 35 5.076 -11.158 7.560 285 HG21 ILE 35 HG21 ILE 35 5.759 -8.675 4.896 286 HG22 ILE 35 HG22 ILE 35 7.515 -8.730 5.055 287 HG23 ILE 35 HG23 ILE 35 6.537 -8.008 6.332 288 HD11 ILE 35 HD11 ILE 35 6.062 -8.359 8.129 289 HD12 ILE 35 HD12 ILE 35 6.278 -9.811 9.107 290 HD13 ILE 35 HD13 ILE 35 4.688 -9.057 8.986 291 H SER 36 HN SER 36 6.269 -10.396 2.834 292 HA SER 36 HA SER 36 8.835 -11.562 2.045 293 HB2 SER 36 HB2 SER 36 6.781 -9.844 0.647 294 HB3 SER 36 HB1 SER 36 8.313 -10.266 -0.113 295 HG SER 36 HG SER 36 7.301 -12.033 -0.632 296 H GLN 37 HN GLN 37 7.675 -8.199 1.657 297 HA GLN 37 HA GLN 37 10.333 -7.238 2.677 298 HB2 GLN 37 HB2 GLN 37 8.841 -6.252 0.223 299 HB3 GLN 37 HB1 GLN 37 10.309 -5.527 0.882 300 HG2 GLN 37 HG2 GLN 37 11.472 -7.718 0.579 301 HG3 GLN 37 HG1 GLN 37 10.020 -8.347 -0.193 302 HE21 GLN 37 HE21 GLN 37 9.206 -6.746 -2.068 303 HE22 GLN 37 HE22 GLN 37 10.431 -6.187 -3.101 304 H VAL 38 HN VAL 38 10.271 -5.094 3.549 305 HA VAL 38 HA VAL 38 7.558 -3.961 4.088 306 HB VAL 38 HB VAL 38 8.206 -5.356 6.026 307 HG11 VAL 38 HG11 VAL 38 10.186 -4.818 7.336 308 HG12 VAL 38 HG12 VAL 38 10.587 -3.489 6.249 309 HG13 VAL 38 HG13 VAL 38 10.676 -5.155 5.676 310 HG21 VAL 38 HG21 VAL 38 8.463 -2.391 6.602 311 HG22 VAL 38 HG22 VAL 38 7.917 -3.634 7.727 312 HG23 VAL 38 HG23 VAL 38 6.936 -3.227 6.319 313 H GLY 39 HN GLY 39 7.549 -1.710 4.131 314 HA2 GLY 39 HA2 GLY 39 10.017 -0.176 4.413 315 HA3 GLY 39 HA1 GLY 39 9.443 -0.253 2.749 316 H LEU 40 HN LEU 40 9.160 2.087 2.902 317 HA LEU 40 HA LEU 40 6.495 2.736 4.078 318 HB2 LEU 40 HB2 LEU 40 7.544 5.063 4.610 319 HB3 LEU 40 HB1 LEU 40 7.833 3.730 5.719 320 HG LEU 40 HG LEU 40 10.003 3.279 4.536 321 HD11 LEU 40 HD11 LEU 40 10.720 5.561 3.265 322 HD12 LEU 40 HD12 LEU 40 9.007 5.548 2.863 323 HD13 LEU 40 HD13 LEU 40 10.026 4.179 2.424 324 HD21 LEU 40 HD21 LEU 40 10.019 4.539 6.596 325 HD22 LEU 40 HD22 LEU 40 9.549 6.014 5.752 326 HD23 LEU 40 HD23 LEU 40 11.143 5.311 5.477 327 H LEU 41 HN LEU 41 5.351 4.393 3.006 328 HA LEU 41 HA LEU 41 6.349 4.940 0.222 329 HB2 LEU 41 HB2 LEU 41 3.472 4.881 1.175 330 HB3 LEU 41 HB1 LEU 41 4.059 4.942 -0.485 331 HG LEU 41 HG LEU 41 4.536 2.654 1.430 332 HD11 LEU 41 HD11 LEU 41 2.158 2.939 0.668 333 HD12 LEU 41 HD12 LEU 41 2.900 1.435 0.123 334 HD13 LEU 41 HD13 LEU 41 2.726 2.788 -0.995 335 HD21 LEU 41 HD21 LEU 41 6.329 2.667 -0.131 336 HD22 LEU 41 HD22 LEU 41 5.274 3.170 -1.453 337 HD23 LEU 41 HD23 LEU 41 5.166 1.533 -0.812 338 H GLY 42 HN GLY 42 6.338 7.036 -0.481 339 HA2 GLY 42 HA2 GLY 42 5.828 9.121 1.568 340 HA3 GLY 42 HA1 GLY 42 6.716 9.345 0.067 341 H ASP 43 HN ASP 43 4.061 10.357 1.513 342 HA ASP 43 HA ASP 43 2.529 10.661 -1.045 343 HB2 ASP 43 HB2 ASP 43 1.510 9.988 1.721 344 HB3 ASP 43 HB1 ASP 43 0.470 10.781 0.539 345 H GLU 44 HN GLU 44 1.752 12.716 -1.419 346 HA GLU 44 HA GLU 44 3.066 14.931 -0.255 347 HB2 GLU 44 HB2 GLU 44 0.432 14.749 -1.743 348 HB3 GLU 44 HB1 GLU 44 1.221 16.275 -1.338 349 HG2 GLU 44 HG2 GLU 44 3.202 15.633 -2.613 350 HG3 GLU 44 HG1 GLU 44 2.505 14.048 -2.948 351 H THR 45 HN THR 45 0.495 13.037 0.972 352 HA THR 45 HA THR 45 -0.423 15.201 2.809 353 HB THR 45 HB THR 45 -2.123 13.410 3.469 354 HG1 THR 45 HG1 THR 45 -2.277 11.663 2.102 355 HG21 THR 45 HG21 THR 45 -3.329 13.641 1.202 356 HG22 THR 45 HG22 THR 45 -1.910 14.550 0.680 357 HG23 THR 45 HG23 THR 45 -2.883 15.133 2.030 358 H GLY 46 HN GLY 46 1.843 12.674 2.730 359 HA2 GLY 46 HA2 GLY 46 3.009 12.995 5.159 360 HA3 GLY 46 HA1 GLY 46 1.614 12.013 5.602 361 H ILE 47 HN ILE 47 3.419 10.515 6.260 362 HA ILE 47 HA ILE 47 4.263 8.777 3.953 363 HB ILE 47 HB ILE 47 5.771 9.396 6.515 364 HG12 ILE 47 HG12 ILE 47 6.564 9.880 3.633 365 HG13 ILE 47 HG11 ILE 47 5.806 11.110 4.643 366 HG21 ILE 47 HG21 ILE 47 6.254 7.415 4.284 367 HG22 ILE 47 HG22 ILE 47 6.159 7.096 6.014 368 HG23 ILE 47 HG23 ILE 47 7.544 7.962 5.353 369 HD11 ILE 47 HD11 ILE 47 8.219 11.401 4.735 370 HD12 ILE 47 HD12 ILE 47 8.440 9.706 5.170 371 HD13 ILE 47 HD13 ILE 47 7.659 10.812 6.301 372 H ILE 48 HN ILE 48 3.679 6.627 4.192 373 HA ILE 48 HA ILE 48 2.761 5.728 6.909 374 HB ILE 48 HB ILE 48 0.817 6.287 5.450 375 HG12 ILE 48 HG12 ILE 48 1.084 3.305 5.897 376 HG13 ILE 48 HG11 ILE 48 0.840 4.449 7.216 377 HG21 ILE 48 HG21 ILE 48 1.676 3.915 3.781 378 HG22 ILE 48 HG22 ILE 48 2.066 5.575 3.324 379 HG23 ILE 48 HG23 ILE 48 0.382 5.066 3.451 380 HD11 ILE 48 HD11 ILE 48 -1.009 3.946 4.873 381 HD12 ILE 48 HD12 ILE 48 -1.216 5.276 6.012 382 HD13 ILE 48 HD13 ILE 48 -1.327 3.609 6.575 383 H LYS 49 HN LYS 49 3.182 3.615 7.426 384 HA LYS 49 HA LYS 49 5.268 2.301 5.848 385 HB2 LYS 49 HB2 LYS 49 3.956 1.587 8.469 386 HB3 LYS 49 HB1 LYS 49 5.279 0.672 7.744 387 HG2 LYS 49 HG2 LYS 49 6.575 2.883 7.676 388 HG3 LYS 49 HG1 LYS 49 5.318 3.533 8.727 389 HD2 LYS 49 HD2 LYS 49 6.929 1.047 9.354 390 HD3 LYS 49 HD1 LYS 49 7.324 2.654 9.957 391 HE2 LYS 49 HE2 LYS 49 4.948 2.737 10.898 392 HE3 LYS 49 HE1 LYS 49 4.851 1.013 10.541 393 HZ1 LYS 49 HZ1 LYS 49 6.363 0.496 12.130 394 HZ2 LYS 49 HZ2 LYS 49 5.718 1.896 12.844 395 HZ3 LYS 49 HZ3 LYS 49 7.193 1.970 12.003 396 H PHE 50 HN PHE 50 5.118 0.044 5.172 397 HA PHE 50 HA PHE 50 2.423 -1.153 5.058 398 HB2 PHE 50 HB2 PHE 50 2.298 -1.300 2.673 399 HB3 PHE 50 HB1 PHE 50 2.611 0.391 3.054 400 HD1 PHE 50 HD2 PHE 50 5.120 1.130 3.075 401 HD2 PHE 50 HD1 PHE 50 3.692 -2.442 1.175 402 HE1 PHE 50 HE2 PHE 50 7.153 1.065 1.652 403 HE2 PHE 50 HE1 PHE 50 5.730 -2.510 -0.234 404 HZ PHE 50 HZ PHE 50 7.461 -0.758 0.005 405 H THR 51 HN THR 51 2.520 -3.355 4.090 406 HA THR 51 HA THR 51 5.260 -4.566 4.102 407 HB THR 51 HB THR 51 4.455 -4.948 6.353 408 HG1 THR 51 HG1 THR 51 3.704 -7.380 5.395 409 HG21 THR 51 HG21 THR 51 2.038 -4.510 5.795 410 HG22 THR 51 HG22 THR 51 2.302 -5.898 6.848 411 HG23 THR 51 HG23 THR 51 1.959 -6.144 5.136 412 H ILE 52 HN ILE 52 5.405 -6.453 2.817 413 HA ILE 52 HA ILE 52 3.091 -6.860 0.952 414 HB ILE 52 HB ILE 52 6.000 -7.627 0.592 415 HG12 ILE 52 HG12 ILE 52 5.833 -5.205 0.715 416 HG13 ILE 52 HG11 ILE 52 6.048 -5.665 -0.973 417 HG21 ILE 52 HG21 ILE 52 3.623 -7.545 -1.284 418 HG22 ILE 52 HG22 ILE 52 4.515 -8.974 -0.765 419 HG23 ILE 52 HG23 ILE 52 5.288 -7.783 -1.812 420 HD11 ILE 52 HD11 ILE 52 3.415 -5.637 -1.035 421 HD12 ILE 52 HD12 ILE 52 4.298 -4.116 -1.111 422 HD13 ILE 52 HD13 ILE 52 3.582 -4.641 0.410 423 H TRP 53 HN TRP 53 2.002 -8.710 1.094 424 HA TRP 53 HA TRP 53 3.102 -10.919 2.767 425 HB2 TRP 53 HB2 TRP 53 0.337 -10.317 1.699 426 HB3 TRP 53 HB1 TRP 53 0.739 -11.763 2.627 427 HD1 TRP 53 HD1 TRP 53 0.642 -7.933 2.971 428 HE1 TRP 53 HE1 TRP 53 0.470 -7.339 5.475 429 HE3 TRP 53 HE3 TRP 53 1.102 -12.593 5.005 430 HZ2 TRP 53 HZ2 TRP 53 0.520 -8.676 8.008 431 HZ3 TRP 53 HZ3 TRP 53 1.035 -12.906 7.461 432 HH2 TRP 53 HH2 TRP 53 0.745 -10.956 8.965 433 H LYS 54 HN LYS 54 3.272 -13.027 1.956 434 HA LYS 54 HA LYS 54 3.757 -13.247 -0.916 435 HB2 LYS 54 HB2 LYS 54 3.834 -15.261 1.352 436 HB3 LYS 54 HB1 LYS 54 4.291 -15.636 -0.309 437 HG2 LYS 54 HG2 LYS 54 6.029 -13.894 -0.238 438 HG3 LYS 54 HG1 LYS 54 5.568 -13.490 1.416 439 HD2 LYS 54 HD2 LYS 54 6.180 -15.737 2.169 440 HD3 LYS 54 HD1 LYS 54 6.562 -16.210 0.514 441 HE2 LYS 54 HE2 LYS 54 8.628 -15.645 1.686 442 HE3 LYS 54 HE1 LYS 54 8.312 -14.431 0.447 443 HZ1 LYS 54 HZ1 LYS 54 7.382 -12.984 2.116 444 HZ2 LYS 54 HZ2 LYS 54 8.952 -13.445 2.575 445 HZ3 LYS 54 HZ3 LYS 54 7.602 -14.161 3.318 446 H ASN 55 HN ASN 55 1.069 -13.627 1.130 447 HA ASN 55 HA ASN 55 -0.328 -15.795 -0.072 448 HB2 ASN 55 HB2 ASN 55 -1.024 -14.794 2.046 449 HB3 ASN 55 HB1 ASN 55 -1.380 -13.270 1.237 450 HD21 ASN 55 HD21 ASN 55 -2.320 -16.750 1.118 451 HD22 ASN 55 HD22 ASN 55 -3.926 -16.448 0.658 452 H ALA 56 HN ALA 56 -0.306 -12.324 -0.884 453 HA ALA 56 HA ALA 56 -2.227 -12.643 -3.045 454 HB1 ALA 56 HB1 ALA 56 -2.088 -10.488 -2.011 455 HB2 ALA 56 HB2 ALA 56 -1.417 -10.298 -3.631 456 HB3 ALA 56 HB3 ALA 56 -0.340 -10.421 -2.239 457 H GLU 57 HN GLU 57 1.088 -13.320 -2.700 458 HA GLU 57 HA GLU 57 2.792 -13.814 -4.234 459 HB2 GLU 57 HB2 GLU 57 0.323 -14.598 -5.808 460 HB3 GLU 57 HB1 GLU 57 1.972 -14.976 -6.317 461 HG2 GLU 57 HG2 GLU 57 2.364 -16.204 -4.235 462 HG3 GLU 57 HG1 GLU 57 0.750 -15.787 -3.664 463 H LEU 58 HN LEU 58 2.802 -11.253 -4.218 464 HA LEU 58 HA LEU 58 2.293 -10.237 -6.978 465 HB2 LEU 58 HB2 LEU 58 2.575 -8.890 -4.295 466 HB3 LEU 58 HB1 LEU 58 2.683 -7.971 -5.797 467 HG LEU 58 HG LEU 58 0.348 -9.844 -5.399 468 HD11 LEU 58 HD11 LEU 58 -0.930 -8.077 -4.294 469 HD12 LEU 58 HD12 LEU 58 0.483 -7.022 -4.297 470 HD13 LEU 58 HD13 LEU 58 0.481 -8.492 -3.322 471 HD21 LEU 58 HD21 LEU 58 0.599 -7.124 -6.732 472 HD22 LEU 58 HD22 LEU 58 -0.775 -8.221 -6.832 473 HD23 LEU 58 HD23 LEU 58 0.751 -8.662 -7.578 474 HA PRO 59 HA PRO 59 6.658 -10.130 -7.754 475 HB2 PRO 59 HB2 PRO 59 6.834 -8.092 -9.570 476 HB3 PRO 59 HB1 PRO 59 6.113 -9.670 -9.948 477 HG2 PRO 59 HG2 PRO 59 4.759 -7.108 -9.209 478 HG3 PRO 59 HG1 PRO 59 4.345 -8.273 -10.479 479 HD2 PRO 59 HD2 PRO 59 3.043 -8.224 -8.089 480 HD3 PRO 59 HD1 PRO 59 3.305 -9.729 -8.999 481 H LEU 60 HN LEU 60 8.610 -8.777 -7.665 482 HA LEU 60 HA LEU 60 8.753 -7.206 -5.276 483 HB2 LEU 60 HB2 LEU 60 10.738 -7.335 -7.563 484 HB3 LEU 60 HB1 LEU 60 11.083 -6.854 -5.900 485 HG LEU 60 HG LEU 60 10.096 -9.587 -6.778 486 HD11 LEU 60 HD11 LEU 60 12.452 -9.107 -7.400 487 HD12 LEU 60 HD12 LEU 60 12.340 -10.355 -6.158 488 HD13 LEU 60 HD13 LEU 60 12.800 -8.711 -5.717 489 HD21 LEU 60 HD21 LEU 60 10.632 -8.331 -4.086 490 HD22 LEU 60 HD22 LEU 60 10.848 -10.067 -4.306 491 HD23 LEU 60 HD23 LEU 60 9.273 -9.336 -4.591 492 H LEU 61 HN LEU 61 8.835 -5.041 -4.943 493 HA LEU 61 HA LEU 61 7.779 -3.302 -7.073 494 HB2 LEU 61 HB2 LEU 61 8.287 -3.008 -4.113 495 HB3 LEU 61 HB1 LEU 61 7.905 -1.601 -5.106 496 HG LEU 61 HG LEU 61 5.816 -2.648 -5.834 497 HD11 LEU 61 HD11 LEU 61 6.311 -4.968 -5.890 498 HD12 LEU 61 HD12 LEU 61 5.154 -4.802 -4.571 499 HD13 LEU 61 HD13 LEU 61 6.873 -4.974 -4.219 500 HD21 LEU 61 HD21 LEU 61 5.912 -1.352 -3.682 501 HD22 LEU 61 HD22 LEU 61 6.117 -2.880 -2.825 502 HD23 LEU 61 HD23 LEU 61 4.628 -2.561 -3.714 503 H GLU 62 HN GLU 62 8.880 -1.511 -7.920 504 HA GLU 62 HA GLU 62 11.846 -1.563 -7.590 505 HB2 GLU 62 HB2 GLU 62 10.915 -1.707 -9.888 506 HB3 GLU 62 HB1 GLU 62 10.132 -0.144 -9.654 507 HG2 GLU 62 HG2 GLU 62 12.309 0.927 -9.312 508 HG3 GLU 62 HG1 GLU 62 13.117 -0.633 -9.465 509 H GLN 63 HN GLN 63 12.807 -0.010 -6.417 510 HA GLN 63 HA GLN 63 11.303 2.025 -5.058 511 HB2 GLN 63 HB2 GLN 63 13.482 0.874 -4.327 512 HB3 GLN 63 HB1 GLN 63 14.306 2.010 -5.392 513 HG2 GLN 63 HG2 GLN 63 12.399 2.856 -3.194 514 HG3 GLN 63 HG1 GLN 63 14.149 2.767 -2.992 515 HE21 GLN 63 HE21 GLN 63 11.999 5.095 -3.288 516 HE22 GLN 63 HE22 GLN 63 12.776 6.159 -4.360 517 H GLY 64 HN GLY 64 11.104 4.200 -5.450 518 HA2 GLY 64 HA2 GLY 64 11.615 6.296 -6.476 519 HA3 GLY 64 HA1 GLY 64 12.651 5.463 -7.632 520 H GLU 65 HN GLU 65 9.475 4.134 -7.113 521 HA GLU 65 HA GLU 65 8.425 5.566 -9.519 522 HB2 GLU 65 HB2 GLU 65 8.557 2.556 -9.187 523 HB3 GLU 65 HB1 GLU 65 7.608 3.377 -10.422 524 HG2 GLU 65 HG2 GLU 65 9.604 2.922 -11.569 525 HG3 GLU 65 HG1 GLU 65 9.872 4.572 -11.018 526 H SER 66 HN SER 66 6.139 5.480 -9.736 527 HA SER 66 HA SER 66 4.750 5.482 -7.174 528 HB2 SER 66 HB2 SER 66 2.778 6.122 -8.648 529 HB3 SER 66 HB1 SER 66 4.153 7.219 -8.688 530 HG SER 66 HG SER 66 3.106 6.311 -10.754 531 H TYR 67 HN TYR 67 2.812 4.255 -6.745 532 HA TYR 67 HA TYR 67 2.344 1.848 -8.419 533 HB2 TYR 67 HB2 TYR 67 3.112 1.788 -5.490 534 HB3 TYR 67 HB1 TYR 67 2.385 0.422 -6.336 535 HD1 TYR 67 HD2 TYR 67 5.365 2.598 -6.111 536 HD2 TYR 67 HD1 TYR 67 3.608 -0.843 -7.969 537 HE1 TYR 67 HE2 TYR 67 7.587 1.950 -7.007 538 HE2 TYR 67 HE1 TYR 67 5.824 -1.495 -8.871 539 HH TYR 67 HH TYR 67 8.015 -1.074 -8.830 540 H LEU 68 HN LEU 68 0.242 1.087 -8.262 541 HA LEU 68 HA LEU 68 -1.638 2.702 -6.564 542 HB2 LEU 68 HB2 LEU 68 -2.125 3.047 -8.900 543 HB3 LEU 68 HB1 LEU 68 -1.989 1.327 -9.242 544 HG LEU 68 HG LEU 68 -4.006 0.843 -8.008 545 HD11 LEU 68 HD11 LEU 68 -5.292 2.856 -7.034 546 HD12 LEU 68 HD12 LEU 68 -3.762 3.727 -7.137 547 HD13 LEU 68 HD13 LEU 68 -3.892 2.289 -6.125 548 HD21 LEU 68 HD21 LEU 68 -4.195 1.794 -10.341 549 HD22 LEU 68 HD22 LEU 68 -4.507 3.367 -9.607 550 HD23 LEU 68 HD23 LEU 68 -5.630 2.034 -9.344 551 H LEU 69 HN LEU 69 -2.344 1.548 -4.855 552 HA LEU 69 HA LEU 69 -2.381 -1.438 -5.021 553 HB2 LEU 69 HB2 LEU 69 -2.575 0.377 -2.597 554 HB3 LEU 69 HB1 LEU 69 -2.433 -1.380 -2.584 555 HG LEU 69 HG LEU 69 -0.255 -0.801 -4.106 556 HD11 LEU 69 HD11 LEU 69 0.891 1.173 -3.146 557 HD12 LEU 69 HD12 LEU 69 -0.563 1.564 -2.229 558 HD13 LEU 69 HD13 LEU 69 -0.584 1.636 -3.989 559 HD21 LEU 69 HD21 LEU 69 -0.322 -0.656 -1.077 560 HD22 LEU 69 HD22 LEU 69 1.098 -1.010 -2.063 561 HD23 LEU 69 HD23 LEU 69 -0.257 -2.138 -2.032 562 H ARG 70 HN ARG 70 -4.317 -2.428 -5.196 563 HA ARG 70 HA ARG 70 -6.790 -0.848 -4.561 564 HB2 ARG 70 HB2 ARG 70 -6.350 -3.053 -6.586 565 HB3 ARG 70 HB1 ARG 70 -7.899 -2.279 -6.258 566 HG2 ARG 70 HG2 ARG 70 -6.946 -0.094 -6.886 567 HG3 ARG 70 HG1 ARG 70 -5.393 -0.861 -7.212 568 HD2 ARG 70 HD2 ARG 70 -7.980 -1.580 -8.614 569 HD3 ARG 70 HD1 ARG 70 -6.762 -0.494 -9.278 570 HE ARG 70 HE ARG 70 -6.540 -3.418 -9.062 571 HH11 ARG 70 HH21 ARG 70 -4.979 -0.363 -9.478 572 HH12 ARG 70 HH22 ARG 70 -3.589 -1.037 -10.258 573 HH21 ARG 70 HH11 ARG 70 -4.734 -4.303 -10.082 574 HH22 ARG 70 HH12 ARG 70 -3.449 -3.265 -10.599 575 H SER 71 HN SER 71 -8.326 -1.756 -3.294 576 HA SER 71 HA SER 71 -9.282 -3.155 -1.703 577 HB2 SER 71 HB2 SER 71 -9.517 -5.426 -2.267 578 HB3 SER 71 HB1 SER 71 -9.319 -4.628 -3.823 579 HG SER 71 HG SER 71 -7.419 -5.537 -4.047 580 H VAL 72 HN VAL 72 -7.459 -2.043 -0.381 581 HA VAL 72 HA VAL 72 -5.665 -4.158 0.784 582 HB VAL 72 HB VAL 72 -4.266 -2.231 1.594 583 HG11 VAL 72 HG11 VAL 72 -3.888 -3.566 -0.575 584 HG12 VAL 72 HG12 VAL 72 -3.083 -2.004 -0.444 585 HG13 VAL 72 HG13 VAL 72 -4.549 -2.162 -1.413 586 HG21 VAL 72 HG21 VAL 72 -6.260 -0.584 1.245 587 HG22 VAL 72 HG22 VAL 72 -5.729 -0.539 -0.436 588 HG23 VAL 72 HG23 VAL 72 -4.636 -0.027 0.849 589 H VAL 73 HN VAL 73 -5.315 -3.955 3.113 590 HA VAL 73 HA VAL 73 -7.707 -2.827 4.540 591 HB VAL 73 HB VAL 73 -7.661 -5.291 4.537 592 HG11 VAL 73 HG11 VAL 73 -5.053 -5.121 6.064 593 HG12 VAL 73 HG12 VAL 73 -5.100 -5.371 4.319 594 HG13 VAL 73 HG13 VAL 73 -5.835 -6.555 5.399 595 HG21 VAL 73 HG21 VAL 73 -7.867 -5.604 6.926 596 HG22 VAL 73 HG22 VAL 73 -8.430 -3.976 6.547 597 HG23 VAL 73 HG23 VAL 73 -6.827 -4.214 7.244 598 H VAL 74 HN VAL 74 -7.281 -1.414 6.170 599 HA VAL 74 HA VAL 74 -4.466 -0.695 6.679 600 HB VAL 74 HB VAL 74 -6.954 0.551 7.866 601 HG11 VAL 74 HG11 VAL 74 -5.423 2.552 7.931 602 HG12 VAL 74 HG12 VAL 74 -4.108 1.497 7.417 603 HG13 VAL 74 HG13 VAL 74 -4.900 1.225 8.967 604 HG21 VAL 74 HG21 VAL 74 -7.279 0.663 5.501 605 HG22 VAL 74 HG22 VAL 74 -5.570 0.987 5.207 606 HG23 VAL 74 HG23 VAL 74 -6.587 2.223 5.948 607 H GLY 75 HN GLY 75 -3.431 -1.923 8.156 608 HA2 GLY 75 HA2 GLY 75 -4.903 -3.142 10.406 609 HA3 GLY 75 HA1 GLY 75 -3.210 -3.418 10.001 610 H GLU 76 HN GLU 76 -3.722 -3.008 12.603 611 HA GLU 76 HA GLU 76 -3.213 -0.126 13.197 612 HB2 GLU 76 HB2 GLU 76 -5.006 -1.310 14.461 613 HB3 GLU 76 HB1 GLU 76 -3.801 -2.444 15.070 614 HG2 GLU 76 HG2 GLU 76 -2.583 -0.615 16.151 615 HG3 GLU 76 HG1 GLU 76 -3.725 0.558 15.494 616 H TYR 77 HN TYR 77 -1.114 0.449 13.403 617 HA TYR 77 HA TYR 77 0.877 -1.623 14.286 618 HB2 TYR 77 HB2 TYR 77 1.104 -0.683 11.941 619 HB3 TYR 77 HB1 TYR 77 1.442 0.883 12.681 620 HD1 TYR 77 HD2 TYR 77 3.455 1.208 14.077 621 HD2 TYR 77 HD1 TYR 77 2.700 -2.494 12.033 622 HE1 TYR 77 HE2 TYR 77 5.809 0.525 14.445 623 HE2 TYR 77 HE1 TYR 77 5.056 -3.178 12.403 624 HH TYR 77 HH TYR 77 7.452 -0.983 13.524 625 H ASN 78 HN ASN 78 1.085 -1.269 16.446 626 HA ASN 78 HA ASN 78 1.359 -0.120 18.482 627 HB2 ASN 78 HB2 ASN 78 3.361 1.170 16.623 628 HB3 ASN 78 HB1 ASN 78 3.330 1.473 18.360 629 HD21 ASN 78 HD21 ASN 78 5.569 0.207 17.132 630 HD22 ASN 78 HD22 ASN 78 5.642 -1.400 17.673 631 H ASP 79 HN ASP 79 2.502 2.852 17.564 632 HA ASP 79 HA ASP 79 -0.070 4.141 18.291 633 HB2 ASP 79 HB2 ASP 79 1.360 6.186 18.510 634 HB3 ASP 79 HB1 ASP 79 1.907 4.851 19.525 635 H ARG 80 HN ARG 80 1.609 3.337 15.479 636 HA ARG 80 HA ARG 80 0.380 5.610 13.944 637 HB2 ARG 80 HB2 ARG 80 2.755 3.838 13.338 638 HB3 ARG 80 HB1 ARG 80 2.016 4.904 12.143 639 HG2 ARG 80 HG2 ARG 80 2.410 6.837 13.631 640 HG3 ARG 80 HG1 ARG 80 3.176 5.769 14.808 641 HD2 ARG 80 HD2 ARG 80 4.887 5.150 13.148 642 HD3 ARG 80 HD1 ARG 80 4.121 6.205 11.959 643 HE ARG 80 HE ARG 80 4.809 7.623 14.400 644 HH11 ARG 80 HH21 ARG 80 5.940 6.370 11.389 645 HH12 ARG 80 HH22 ARG 80 7.228 7.520 11.247 646 HH21 ARG 80 HH11 ARG 80 6.481 9.130 14.226 647 HH22 ARG 80 HH12 ARG 80 7.534 9.081 12.851 648 H PHE 81 HN PHE 81 -0.034 4.822 11.568 649 HA PHE 81 HA PHE 81 -1.693 2.328 11.730 650 HB2 PHE 81 HB2 PHE 81 -1.924 4.847 10.065 651 HB3 PHE 81 HB1 PHE 81 -2.853 3.387 9.718 652 HD1 PHE 81 HD1 PHE 81 -4.464 2.499 11.384 653 HD2 PHE 81 HD2 PHE 81 -2.446 6.246 11.956 654 HE1 PHE 81 HE1 PHE 81 -6.102 3.112 13.141 655 HE2 PHE 81 HE2 PHE 81 -4.084 6.861 13.712 656 HZ PHE 81 HZ PHE 81 -5.913 5.294 14.305 657 H GLN 82 HN GLN 82 -1.553 0.823 10.013 658 HA GLN 82 HA GLN 82 0.584 1.281 7.967 659 HB2 GLN 82 HB2 GLN 82 1.637 0.006 9.767 660 HB3 GLN 82 HB1 GLN 82 0.318 -1.164 9.742 661 HG2 GLN 82 HG2 GLN 82 0.900 -1.877 7.508 662 HG3 GLN 82 HG1 GLN 82 2.079 -0.577 7.352 663 HE21 GLN 82 HE21 GLN 82 2.818 -3.327 7.047 664 HE22 GLN 82 HE22 GLN 82 3.845 -3.747 8.331 665 H VAL 83 HN VAL 83 0.326 -0.010 6.069 666 HA VAL 83 HA VAL 83 -2.433 -1.133 5.717 667 HB VAL 83 HB VAL 83 -2.203 -0.549 3.342 668 HG11 VAL 83 HG11 VAL 83 -1.689 1.641 5.364 669 HG12 VAL 83 HG12 VAL 83 -3.236 1.137 4.685 670 HG13 VAL 83 HG13 VAL 83 -2.063 1.983 3.675 671 HG21 VAL 83 HG21 VAL 83 0.095 -0.693 2.869 672 HG22 VAL 83 HG22 VAL 83 0.550 0.299 4.255 673 HG23 VAL 83 HG23 VAL 83 -0.194 1.044 2.839 674 H GLN 84 HN GLN 84 -2.593 -3.221 5.125 675 HA GLN 84 HA GLN 84 -0.051 -4.725 4.604 676 HB2 GLN 84 HB2 GLN 84 -2.753 -5.622 5.648 677 HB3 GLN 84 HB1 GLN 84 -1.415 -6.717 5.289 678 HG2 GLN 84 HG2 GLN 84 0.012 -5.493 6.890 679 HG3 GLN 84 HG1 GLN 84 -1.331 -4.417 7.262 680 HE21 GLN 84 HE21 GLN 84 -1.933 -5.029 9.363 681 HE22 GLN 84 HE22 GLN 84 -2.304 -6.618 9.826 682 H VAL 85 HN VAL 85 0.259 -5.547 2.623 683 HA VAL 85 HA VAL 85 -1.959 -5.440 0.646 684 HB VAL 85 HB VAL 85 0.955 -6.135 0.193 685 HG11 VAL 85 HG11 VAL 85 -1.082 -4.947 -1.702 686 HG12 VAL 85 HG12 VAL 85 -0.822 -6.685 -1.555 687 HG13 VAL 85 HG13 VAL 85 0.489 -5.639 -2.101 688 HG21 VAL 85 HG21 VAL 85 1.119 -3.715 -0.525 689 HG22 VAL 85 HG22 VAL 85 0.896 -3.943 1.210 690 HG23 VAL 85 HG23 VAL 85 -0.467 -3.459 0.201 691 H ASN 86 HN ASN 86 -3.198 -7.264 1.072 692 HA ASN 86 HA ASN 86 -1.965 -9.858 0.371 693 HB2 ASN 86 HB2 ASN 86 -2.999 -10.948 2.390 694 HB3 ASN 86 HB1 ASN 86 -1.663 -9.866 2.775 695 HD21 ASN 86 HD21 ASN 86 -4.526 -8.194 1.809 696 HD22 ASN 86 HD22 ASN 86 -5.052 -7.756 3.361 697 H LYS 87 HN LYS 87 -3.833 -11.584 0.528 698 HA LYS 87 HA LYS 87 -5.880 -12.322 -0.320 699 HB2 LYS 87 HB2 LYS 87 -6.962 -9.584 0.363 700 HB3 LYS 87 HB1 LYS 87 -7.840 -11.106 0.294 701 HG2 LYS 87 HG2 LYS 87 -5.653 -10.468 2.292 702 HG3 LYS 87 HG1 LYS 87 -7.382 -10.370 2.620 703 HD2 LYS 87 HD2 LYS 87 -7.573 -12.801 2.006 704 HD3 LYS 87 HD1 LYS 87 -5.816 -12.858 1.879 705 HE2 LYS 87 HE2 LYS 87 -5.571 -12.235 4.213 706 HE3 LYS 87 HE1 LYS 87 -7.316 -12.029 4.373 707 HZ1 LYS 87 HZ1 LYS 87 -6.207 -14.590 3.435 708 HZ2 LYS 87 HZ2 LYS 87 -7.690 -14.281 4.205 709 HZ3 LYS 87 HZ3 LYS 87 -6.243 -14.242 5.094 710 H ASN 88 HN ASN 88 -7.834 -10.270 -1.417 711 HA ASN 88 HA ASN 88 -7.090 -10.518 -4.173 712 HB2 ASN 88 HB2 ASN 88 -9.423 -10.364 -3.504 713 HB3 ASN 88 HB1 ASN 88 -9.149 -8.773 -2.788 714 HD21 ASN 88 HD21 ASN 88 -9.982 -7.185 -4.156 715 HD22 ASN 88 HD22 ASN 88 -9.897 -7.206 -5.851 716 H SER 89 HN SER 89 -5.524 -8.754 -2.006 717 HA SER 89 HA SER 89 -5.441 -6.090 -2.968 718 HB2 SER 89 HB2 SER 89 -3.081 -6.122 -2.021 719 HB3 SER 89 HB1 SER 89 -4.353 -6.598 -0.900 720 HG SER 89 HG SER 89 -2.998 -8.492 -2.499 721 H SER 90 HN SER 90 -4.246 -5.091 -4.588 722 HA SER 90 HA SER 90 -2.507 -6.802 -6.310 723 HB2 SER 90 HB2 SER 90 -3.620 -5.755 -8.328 724 HB3 SER 90 HB1 SER 90 -4.620 -6.908 -7.450 725 HG SER 90 HG SER 90 -4.999 -4.270 -7.893 726 H ILE 91 HN ILE 91 -1.054 -5.553 -7.640 727 HA ILE 91 HA ILE 91 -0.783 -2.667 -6.877 728 HB ILE 91 HB ILE 91 1.413 -4.758 -6.965 729 HG12 ILE 91 HG12 ILE 91 0.521 -2.938 -4.709 730 HG13 ILE 91 HG11 ILE 91 -0.036 -4.602 -4.895 731 HG21 ILE 91 HG21 ILE 91 2.823 -2.739 -6.231 732 HG22 ILE 91 HG22 ILE 91 1.484 -1.741 -6.800 733 HG23 ILE 91 HG23 ILE 91 2.341 -2.794 -7.926 734 HD11 ILE 91 HD11 ILE 91 2.893 -3.851 -4.759 735 HD12 ILE 91 HD12 ILE 91 2.193 -5.465 -4.648 736 HD13 ILE 91 HD13 ILE 91 1.950 -4.306 -3.341 737 H GLU 92 HN GLU 92 -0.374 -1.358 -8.589 738 HA GLU 92 HA GLU 92 0.437 -2.613 -11.196 739 HB2 GLU 92 HB2 GLU 92 -1.948 -2.045 -11.278 740 HB3 GLU 92 HB1 GLU 92 -1.590 -0.400 -10.754 741 HG2 GLU 92 HG2 GLU 92 -0.307 0.025 -12.771 742 HG3 GLU 92 HG1 GLU 92 -0.476 -1.658 -13.276 743 H LYS 93 HN LYS 93 2.064 -1.564 -12.251 744 HA LYS 93 HA LYS 93 3.467 0.565 -10.821 745 HB2 LYS 93 HB2 LYS 93 4.674 -1.252 -12.017 746 HB3 LYS 93 HB1 LYS 93 4.032 -0.646 -13.544 747 HG2 LYS 93 HG2 LYS 93 5.149 1.504 -13.193 748 HG3 LYS 93 HG1 LYS 93 5.743 0.960 -11.624 749 HD2 LYS 93 HD2 LYS 93 7.002 -0.855 -12.736 750 HD3 LYS 93 HD1 LYS 93 6.420 -0.289 -14.303 751 HE2 LYS 93 HE2 LYS 93 7.506 1.893 -13.924 752 HE3 LYS 93 HE1 LYS 93 8.086 1.331 -12.358 753 HZ1 LYS 93 HZ1 LYS 93 9.606 1.161 -14.427 754 HZ2 LYS 93 HZ2 LYS 93 8.694 -0.230 -14.773 755 HZ3 LYS 93 HZ3 LYS 93 9.561 -0.119 -13.315 756 H LEU 94 HN LEU 94 3.246 2.706 -11.193 757 HA LEU 94 HA LEU 94 1.616 3.584 -13.552 758 HB2 LEU 94 HB2 LEU 94 2.050 4.657 -10.778 759 HB3 LEU 94 HB1 LEU 94 1.632 5.789 -12.064 760 HG LEU 94 HG LEU 94 -0.380 4.509 -12.584 761 HD11 LEU 94 HD11 LEU 94 0.752 2.618 -10.520 762 HD12 LEU 94 HD12 LEU 94 0.193 2.260 -12.154 763 HD13 LEU 94 HD13 LEU 94 -0.972 2.640 -10.890 764 HD21 LEU 94 HD21 LEU 94 -0.444 6.231 -10.777 765 HD22 LEU 94 HD22 LEU 94 -0.135 4.960 -9.593 766 HD23 LEU 94 HD23 LEU 94 -1.629 4.948 -10.530 767 H SER 95 HN SER 95 2.505 4.858 -15.070 768 HA SER 95 HA SER 95 5.399 5.435 -14.911 769 HB2 SER 95 HB2 SER 95 5.193 5.995 -17.267 770 HB3 SER 95 HB1 SER 95 4.343 4.481 -16.976 771 HG SER 95 HG SER 95 2.778 5.543 -17.931 772 H GLU 96 HN GLU 96 2.845 6.895 -13.651 773 HA GLU 96 HA GLU 96 3.742 9.683 -14.335 774 HB2 GLU 96 HB2 GLU 96 1.036 8.575 -13.561 775 HB3 GLU 96 HB1 GLU 96 1.411 10.299 -13.492 776 HG2 GLU 96 HG2 GLU 96 1.911 10.361 -15.851 777 HG3 GLU 96 HG1 GLU 96 1.808 8.605 -15.972 778 HA PRO 97 HA PRO 97 5.119 8.905 -9.968 779 HB2 PRO 97 HB2 PRO 97 6.632 11.396 -10.658 780 HB3 PRO 97 HB1 PRO 97 7.210 9.905 -9.886 781 HG2 PRO 97 HG2 PRO 97 7.790 10.451 -12.426 782 HG3 PRO 97 HG1 PRO 97 7.433 8.795 -11.902 783 HD2 PRO 97 HD2 PRO 97 5.690 10.705 -13.421 784 HD3 PRO 97 HD1 PRO 97 5.832 8.942 -13.572 785 H ILE 98 HN ILE 98 4.513 9.973 -8.061 786 HA ILE 98 HA ILE 98 2.470 12.052 -8.365 787 HB ILE 98 HB ILE 98 3.568 10.571 -5.962 788 HG12 ILE 98 HG12 ILE 98 0.838 10.412 -7.271 789 HG13 ILE 98 HG11 ILE 98 2.169 9.326 -7.671 790 HG21 ILE 98 HG21 ILE 98 2.825 12.558 -4.984 791 HG22 ILE 98 HG22 ILE 98 1.362 11.577 -4.933 792 HG23 ILE 98 HG23 ILE 98 1.558 12.801 -6.187 793 HD11 ILE 98 HD11 ILE 98 1.237 9.713 -4.824 794 HD12 ILE 98 HD12 ILE 98 2.222 8.407 -5.482 795 HD13 ILE 98 HD13 ILE 98 0.509 8.509 -5.886 796 H GLU 99 HN GLU 99 5.698 12.127 -8.267 797 HA GLU 99 HA GLU 99 7.329 13.692 -7.583 798 HB2 GLU 99 HB2 GLU 99 4.950 15.434 -8.283 799 HB3 GLU 99 HB1 GLU 99 6.569 16.070 -7.982 800 HG2 GLU 99 HG2 GLU 99 7.480 14.709 -9.798 801 HG3 GLU 99 HG1 GLU 99 5.901 13.977 -10.072 802 H VAL 100 HN VAL 100 7.470 13.052 -5.375 803 HA VAL 100 HA VAL 100 5.825 14.582 -3.411 804 HB VAL 100 HB VAL 100 6.720 12.978 -1.758 805 HG11 VAL 100 HG11 VAL 100 5.557 11.842 -4.311 806 HG12 VAL 100 HG12 VAL 100 4.692 12.309 -2.847 807 HG13 VAL 100 HG13 VAL 100 5.737 10.888 -2.838 808 HG21 VAL 100 HG21 VAL 100 8.286 11.999 -4.160 809 HG22 VAL 100 HG22 VAL 100 8.013 10.992 -2.740 810 HG23 VAL 100 HG23 VAL 100 8.914 12.499 -2.590 811 H GLY 101 HN GLY 101 7.736 16.067 -4.834 812 HA2 GLY 101 HA2 GLY 101 9.023 17.639 -3.022 813 HA3 GLY 101 HA1 GLY 101 10.166 16.304 -3.194 814 H LEU 102 HN LEU 102 9.001 16.104 -6.080 815 HA LEU 102 HA LEU 102 11.061 17.822 -7.277 816 HB2 LEU 102 HB2 LEU 102 9.158 15.714 -8.312 817 HB3 LEU 102 HB1 LEU 102 10.025 16.758 -9.438 818 HG LEU 102 HG LEU 102 12.172 16.071 -8.386 819 HD11 LEU 102 HD11 LEU 102 12.015 13.979 -6.907 820 HD12 LEU 102 HD12 LEU 102 10.305 14.370 -6.722 821 HD13 LEU 102 HD13 LEU 102 11.534 15.503 -6.161 822 HD21 LEU 102 HD21 LEU 102 11.365 14.852 -10.354 823 HD22 LEU 102 HD22 LEU 102 10.394 13.797 -9.327 824 HD23 LEU 102 HD23 LEU 102 12.155 13.732 -9.245 825 H GLU 103 HN GLU 103 8.045 18.411 -6.166 826 HA GLU 103 HA GLU 103 6.882 19.899 -8.369 827 HB2 GLU 103 HB2 GLU 103 6.357 19.936 -5.377 828 HB3 GLU 103 HB1 GLU 103 5.391 20.825 -6.555 829 HG2 GLU 103 HG2 GLU 103 4.788 18.742 -7.687 830 HG3 GLU 103 HG1 GLU 103 5.824 17.822 -6.595 831 H HIS 104 HN HIS 104 9.567 20.452 -6.482 832 HA HIS 104 HA HIS 104 9.366 23.256 -5.899 833 HB2 HIS 104 HB2 HIS 104 11.051 21.747 -4.875 834 HB3 HIS 104 HB1 HIS 104 11.844 21.593 -6.441 835 HD1 HIS 104 HD1 HIS 104 11.131 24.130 -3.728 836 HD2 HIS 104 HD2 HIS 104 13.473 23.772 -7.158 837 HE1 HIS 104 HE1 HIS 104 12.708 26.114 -3.731 838 H HIS 105 HN HIS 105 10.639 21.484 -8.729 839 HA HIS 105 HA HIS 105 11.194 24.072 -10.087 840 HB2 HIS 105 HB2 HIS 105 11.744 21.193 -10.866 841 HB3 HIS 105 HB1 HIS 105 12.122 22.579 -11.891 842 HD1 HIS 105 HD1 HIS 105 13.189 20.839 -8.751 843 HD2 HIS 105 HD2 HIS 105 14.260 24.226 -10.934 844 HE1 HIS 105 HE1 HIS 105 15.395 21.639 -7.797 845 H HIS 106 HN HIS 106 9.313 24.942 -10.797 846 HA HIS 106 HA HIS 106 7.880 23.564 -12.947 847 HB2 HIS 106 HB2 HIS 106 5.668 23.730 -11.908 848 HB3 HIS 106 HB1 HIS 106 6.721 22.738 -10.899 849 HD1 HIS 106 HD1 HIS 106 7.515 23.737 -8.637 850 HD2 HIS 106 HD2 HIS 106 4.965 26.247 -10.776 851 HE1 HIS 106 HE1 HIS 106 6.811 25.572 -7.040 852 H HIS 107 HN HIS 107 9.136 26.243 -11.484 853 HA HIS 107 HA HIS 107 7.296 28.311 -12.264 854 HB2 HIS 107 HB2 HIS 107 10.291 28.355 -11.780 855 HB3 HIS 107 HB1 HIS 107 9.319 29.801 -12.055 856 HD1 HIS 107 HD1 HIS 107 7.226 30.078 -10.299 857 HD2 HIS 107 HD2 HIS 107 10.332 27.557 -9.130 858 HE1 HIS 107 HE1 HIS 107 7.000 29.778 -7.794 859 H HIS 108 HN HIS 108 10.066 26.780 -13.870 860 HA HIS 108 HA HIS 108 9.889 28.523 -16.200 861 HB2 HIS 108 HB2 HIS 108 11.402 25.960 -15.639 862 HB3 HIS 108 HB1 HIS 108 11.517 26.832 -17.167 863 HD1 HIS 108 HD1 HIS 108 12.273 27.224 -13.482 864 HD2 HIS 108 HD2 HIS 108 13.076 29.173 -17.078 865 HE1 HIS 108 HE1 HIS 108 13.995 29.006 -12.961 866 H HIS 109 HN HIS 109 8.692 28.196 -18.009 867 HA HIS 109 HA HIS 109 7.848 25.614 -18.956 868 HB2 HIS 109 HB2 HIS 109 5.424 25.855 -18.555 869 HB3 HIS 109 HB1 HIS 109 6.308 25.767 -17.033 870 HD1 HIS 109 HD1 HIS 109 6.461 27.924 -15.602 871 HD2 HIS 109 HD2 HIS 109 4.270 28.405 -19.116 872 HE1 HIS 109 HE1 HIS 109 5.253 30.140 -15.394 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -12.557 0.786 -12.699 2 H2 MET 1 HT2 MET 1 -14.013 1.113 -13.512 3 H3 MET 1 HT3 MET 1 -13.875 1.428 -11.848 4 HA MET 1 HA MET 1 -11.816 2.811 -13.131 5 HB2 MET 1 HB2 MET 1 -14.570 3.151 -14.357 6 HB3 MET 1 HB1 MET 1 -13.259 4.317 -14.544 7 HG2 MET 1 HG2 MET 1 -11.845 2.561 -15.558 8 HG3 MET 1 HG1 MET 1 -13.161 1.402 -15.381 9 HE1 MET 1 HE1 MET 1 -13.406 1.730 -19.128 10 HE2 MET 1 HE2 MET 1 -13.267 0.706 -17.701 11 HE3 MET 1 HE3 MET 1 -11.908 1.717 -18.187 12 H GLU 2 HN GLU 2 -13.450 2.252 -10.639 13 HA GLU 2 HA GLU 2 -13.797 5.106 -9.807 14 HB2 GLU 2 HB2 GLU 2 -15.736 2.814 -9.396 15 HB3 GLU 2 HB1 GLU 2 -15.790 4.296 -8.443 16 HG2 GLU 2 HG2 GLU 2 -15.851 4.313 -11.466 17 HG3 GLU 2 HG1 GLU 2 -17.317 4.228 -10.489 18 HA PRO 3 HA PRO 3 -11.413 2.298 -6.833 19 HB2 PRO 3 HB2 PRO 3 -9.036 3.674 -6.861 20 HB3 PRO 3 HB1 PRO 3 -9.414 2.366 -7.999 21 HG2 PRO 3 HG2 PRO 3 -9.569 5.323 -8.407 22 HG3 PRO 3 HG1 PRO 3 -8.964 4.066 -9.497 23 HD2 PRO 3 HD2 PRO 3 -11.455 5.159 -9.771 24 HD3 PRO 3 HD1 PRO 3 -11.096 3.477 -10.226 25 H GLN 4 HN GLN 4 -11.501 2.769 -4.649 26 HA GLN 4 HA GLN 4 -12.247 5.523 -3.886 27 HB2 GLN 4 HB2 GLN 4 -12.078 2.925 -2.327 28 HB3 GLN 4 HB1 GLN 4 -12.583 4.462 -1.625 29 HG2 GLN 4 HG2 GLN 4 -13.913 3.169 -4.024 30 HG3 GLN 4 HG1 GLN 4 -14.511 3.035 -2.371 31 HE21 GLN 4 HE21 GLN 4 -15.223 4.673 -5.088 32 HE22 GLN 4 HE22 GLN 4 -15.705 6.168 -4.444 33 H LEU 5 HN LEU 5 -10.246 6.574 -4.235 34 HA LEU 5 HA LEU 5 -7.783 5.692 -3.008 35 HB2 LEU 5 HB2 LEU 5 -8.759 8.257 -4.247 36 HB3 LEU 5 HB1 LEU 5 -7.216 8.246 -3.393 37 HG LEU 5 HG LEU 5 -7.062 7.812 -5.884 38 HD11 LEU 5 HD11 LEU 5 -5.250 6.418 -5.631 39 HD12 LEU 5 HD12 LEU 5 -6.091 5.309 -4.550 40 HD13 LEU 5 HD13 LEU 5 -5.483 6.848 -3.939 41 HD21 LEU 5 HD21 LEU 5 -9.204 6.406 -5.841 42 HD22 LEU 5 HD22 LEU 5 -8.206 5.098 -5.206 43 HD23 LEU 5 HD23 LEU 5 -7.869 5.769 -6.804 44 H THR 6 HN THR 6 -6.980 6.086 -1.022 45 HA THR 6 HA THR 6 -8.557 7.853 0.833 46 HB THR 6 HB THR 6 -7.178 5.229 1.477 47 HG1 THR 6 HG1 THR 6 -9.562 4.897 2.053 48 HG21 THR 6 HG21 THR 6 -8.678 7.253 3.148 49 HG22 THR 6 HG22 THR 6 -7.021 6.691 3.369 50 HG23 THR 6 HG23 THR 6 -8.372 5.601 3.688 51 H LYS 7 HN LYS 7 -7.366 9.423 1.747 52 HA LYS 7 HA LYS 7 -4.479 9.541 1.222 53 HB2 LYS 7 HB2 LYS 7 -6.387 11.430 2.621 54 HB3 LYS 7 HB1 LYS 7 -4.679 11.773 2.345 55 HG2 LYS 7 HG2 LYS 7 -5.028 11.504 -0.093 56 HG3 LYS 7 HG1 LYS 7 -6.742 11.207 0.196 57 HD2 LYS 7 HD2 LYS 7 -6.961 13.439 1.226 58 HD3 LYS 7 HD1 LYS 7 -5.248 13.741 0.932 59 HE2 LYS 7 HE2 LYS 7 -5.619 13.484 -1.497 60 HE3 LYS 7 HE1 LYS 7 -7.333 13.192 -1.202 61 HZ1 LYS 7 HZ1 LYS 7 -5.948 15.656 -1.363 62 HZ2 LYS 7 HZ2 LYS 7 -6.707 15.515 0.150 63 HZ3 LYS 7 HZ3 LYS 7 -7.618 15.374 -1.276 64 H ILE 8 HN ILE 8 -2.903 9.871 2.939 65 HA ILE 8 HA ILE 8 -3.129 8.021 5.095 66 HB ILE 8 HB ILE 8 -1.263 10.399 4.876 67 HG12 ILE 8 HG12 ILE 8 -0.813 7.550 3.938 68 HG13 ILE 8 HG11 ILE 8 -1.302 8.859 2.862 69 HG21 ILE 8 HG21 ILE 8 -1.243 9.396 7.090 70 HG22 ILE 8 HG22 ILE 8 0.227 8.917 6.238 71 HG23 ILE 8 HG23 ILE 8 -1.114 7.782 6.393 72 HD11 ILE 8 HD11 ILE 8 0.716 10.146 3.596 73 HD12 ILE 8 HD12 ILE 8 1.114 8.645 2.762 74 HD13 ILE 8 HD13 ILE 8 1.231 8.736 4.520 75 H VAL 9 HN VAL 9 -3.447 11.572 5.009 76 HA VAL 9 HA VAL 9 -3.886 11.896 7.819 77 HB VAL 9 HB VAL 9 -3.294 13.739 6.243 78 HG11 VAL 9 HG11 VAL 9 -6.201 13.712 5.426 79 HG12 VAL 9 HG12 VAL 9 -4.965 12.870 4.489 80 HG13 VAL 9 HG13 VAL 9 -4.870 14.617 4.706 81 HG21 VAL 9 HG21 VAL 9 -4.422 14.098 8.500 82 HG22 VAL 9 HG22 VAL 9 -5.937 14.286 7.616 83 HG23 VAL 9 HG23 VAL 9 -4.611 15.416 7.342 84 H ASP 10 HN ASP 10 -5.943 10.816 5.229 85 HA ASP 10 HA ASP 10 -8.439 11.320 6.666 86 HB2 ASP 10 HB2 ASP 10 -7.767 9.678 4.209 87 HB3 ASP 10 HB1 ASP 10 -9.403 9.848 4.849 88 H ILE 11 HN ILE 11 -5.957 9.117 7.096 89 HA ILE 11 HA ILE 11 -7.618 6.782 7.702 90 HB ILE 11 HB ILE 11 -4.698 7.380 8.267 91 HG12 ILE 11 HG12 ILE 11 -5.996 5.527 6.241 92 HG13 ILE 11 HG11 ILE 11 -5.435 7.154 5.861 93 HG21 ILE 11 HG21 ILE 11 -4.631 4.843 8.601 94 HG22 ILE 11 HG22 ILE 11 -6.390 4.909 8.712 95 HG23 ILE 11 HG23 ILE 11 -5.399 5.767 9.891 96 HD11 ILE 11 HD11 ILE 11 -3.159 6.417 6.802 97 HD12 ILE 11 HD12 ILE 11 -3.633 5.726 5.251 98 HD13 ILE 11 HD13 ILE 11 -3.790 4.772 6.726 99 H VAL 12 HN VAL 12 -9.002 7.088 9.366 100 HA VAL 12 HA VAL 12 -7.881 8.029 11.991 101 HB VAL 12 HB VAL 12 -10.117 8.897 12.511 102 HG11 VAL 12 HG11 VAL 12 -9.275 9.870 9.766 103 HG12 VAL 12 HG12 VAL 12 -8.427 10.304 11.252 104 HG13 VAL 12 HG13 VAL 12 -10.106 10.794 11.018 105 HG21 VAL 12 HG21 VAL 12 -11.776 8.986 10.571 106 HG22 VAL 12 HG22 VAL 12 -11.535 7.394 11.295 107 HG23 VAL 12 HG23 VAL 12 -10.755 7.796 9.764 108 H GLU 13 HN GLU 13 -9.216 5.486 10.214 109 HA GLU 13 HA GLU 13 -9.751 3.954 12.726 110 HB2 GLU 13 HB2 GLU 13 -11.676 2.859 11.551 111 HB3 GLU 13 HB1 GLU 13 -11.937 4.571 11.886 112 HG2 GLU 13 HG2 GLU 13 -11.245 5.119 9.571 113 HG3 GLU 13 HG1 GLU 13 -11.021 3.401 9.240 114 H ASN 14 HN ASN 14 -8.921 1.902 12.688 115 HA ASN 14 HA ASN 14 -7.321 1.141 10.301 116 HB2 ASN 14 HB2 ASN 14 -6.274 -0.489 11.817 117 HB3 ASN 14 HB1 ASN 14 -6.235 1.129 12.512 118 HD21 ASN 14 HD21 ASN 14 -6.296 0.505 14.740 119 HD22 ASN 14 HD22 ASN 14 -7.619 -0.301 15.434 120 H GLY 15 HN GLY 15 -7.342 -1.165 9.620 121 HA2 GLY 15 HA2 GLY 15 -8.415 -3.214 9.136 122 HA3 GLY 15 HA1 GLY 15 -9.650 -2.808 10.330 123 H GLN 16 HN GLN 16 -9.305 -0.157 8.359 124 HA GLN 16 HA GLN 16 -11.846 -0.737 7.028 125 HB2 GLN 16 HB2 GLN 16 -11.591 1.559 6.109 126 HB3 GLN 16 HB1 GLN 16 -11.420 1.516 7.863 127 HG2 GLN 16 HG2 GLN 16 -8.962 1.505 7.626 128 HG3 GLN 16 HG1 GLN 16 -9.135 1.551 5.870 129 HE21 GLN 16 HE21 GLN 16 -7.756 3.681 6.752 130 HE22 GLN 16 HE22 GLN 16 -8.711 5.079 6.845 131 H TRP 17 HN TRP 17 -12.165 -1.040 4.821 132 HA TRP 17 HA TRP 17 -9.758 -1.879 3.277 133 HB2 TRP 17 HB2 TRP 17 -12.732 -2.327 2.888 134 HB3 TRP 17 HB1 TRP 17 -11.515 -2.824 1.711 135 HD1 TRP 17 HD1 TRP 17 -12.762 -3.569 5.239 136 HE1 TRP 17 HE1 TRP 17 -11.804 -5.841 5.991 137 HE3 TRP 17 HE3 TRP 17 -9.573 -4.502 1.366 138 HZ2 TRP 17 HZ2 TRP 17 -9.931 -7.798 5.066 139 HZ3 TRP 17 HZ3 TRP 17 -8.215 -6.574 1.324 140 HH2 TRP 17 HH2 TRP 17 -8.389 -8.222 3.168 141 H ALA 18 HN ALA 18 -9.120 -0.775 1.429 142 HA ALA 18 HA ALA 18 -10.843 0.898 -0.126 143 HB1 ALA 18 HB1 ALA 18 -9.711 3.115 0.548 144 HB2 ALA 18 HB2 ALA 18 -9.228 2.278 2.022 145 HB3 ALA 18 HB3 ALA 18 -10.939 2.476 1.641 146 H ASN 19 HN ASN 19 -9.324 2.561 -1.416 147 HA ASN 19 HA ASN 19 -6.952 0.965 -2.312 148 HB2 ASN 19 HB2 ASN 19 -8.426 3.202 -3.743 149 HB3 ASN 19 HB1 ASN 19 -7.190 2.142 -4.426 150 HD21 ASN 19 HD21 ASN 19 -10.378 1.872 -2.755 151 HD22 ASN 19 HD22 ASN 19 -10.913 0.551 -3.678 152 H LEU 20 HN LEU 20 -4.929 2.030 -2.499 153 HA LEU 20 HA LEU 20 -4.781 4.891 -1.685 154 HB2 LEU 20 HB2 LEU 20 -4.531 3.605 0.394 155 HB3 LEU 20 HB1 LEU 20 -3.236 2.654 -0.330 156 HG LEU 20 HG LEU 20 -2.826 5.604 -0.501 157 HD11 LEU 20 HD11 LEU 20 -2.823 4.180 2.175 158 HD12 LEU 20 HD12 LEU 20 -3.815 5.563 1.712 159 HD13 LEU 20 HD13 LEU 20 -2.069 5.746 1.879 160 HD21 LEU 20 HD21 LEU 20 -0.997 3.501 0.679 161 HD22 LEU 20 HD22 LEU 20 -0.560 5.027 -0.085 162 HD23 LEU 20 HD23 LEU 20 -1.175 3.696 -1.064 163 H LYS 21 HN LYS 21 -3.243 5.970 -2.819 164 HA LYS 21 HA LYS 21 -1.314 4.355 -4.470 165 HB2 LYS 21 HB2 LYS 21 -3.075 5.614 -5.745 166 HB3 LYS 21 HB1 LYS 21 -2.427 7.107 -5.068 167 HG2 LYS 21 HG2 LYS 21 -0.283 6.730 -6.108 168 HG3 LYS 21 HG1 LYS 21 -0.767 5.116 -6.627 169 HD2 LYS 21 HD2 LYS 21 -0.937 6.668 -8.509 170 HD3 LYS 21 HD1 LYS 21 -2.545 6.124 -8.038 171 HE2 LYS 21 HE2 LYS 21 -3.083 8.178 -7.028 172 HE3 LYS 21 HE1 LYS 21 -1.392 8.661 -6.885 173 HZ1 LYS 21 HZ1 LYS 21 -1.374 8.616 -9.398 174 HZ2 LYS 21 HZ2 LYS 21 -2.243 9.882 -8.670 175 HZ3 LYS 21 HZ3 LYS 21 -3.067 8.546 -9.322 176 H ALA 22 HN ALA 22 0.859 4.949 -4.351 177 HA ALA 22 HA ALA 22 1.620 7.534 -3.194 178 HB1 ALA 22 HB1 ALA 22 2.831 6.612 -1.268 179 HB2 ALA 22 HB2 ALA 22 2.227 4.999 -1.654 180 HB3 ALA 22 HB3 ALA 22 1.107 6.265 -1.150 181 H LYS 23 HN LYS 23 4.160 7.392 -2.736 182 HA LYS 23 HA LYS 23 5.362 6.004 -5.108 183 HB2 LYS 23 HB2 LYS 23 5.403 8.464 -5.230 184 HB3 LYS 23 HB1 LYS 23 6.265 8.518 -3.692 185 HG2 LYS 23 HG2 LYS 23 8.143 7.296 -4.653 186 HG3 LYS 23 HG1 LYS 23 7.269 7.100 -6.175 187 HD2 LYS 23 HD2 LYS 23 7.203 9.550 -6.452 188 HD3 LYS 23 HD1 LYS 23 8.094 9.742 -4.941 189 HE2 LYS 23 HE2 LYS 23 9.131 8.159 -7.305 190 HE3 LYS 23 HE1 LYS 23 9.533 9.851 -7.012 191 HZ1 LYS 23 HZ1 LYS 23 11.205 8.359 -6.098 192 HZ2 LYS 23 HZ2 LYS 23 10.030 7.610 -5.126 193 HZ3 LYS 23 HZ3 LYS 23 10.440 9.239 -4.867 194 H VAL 24 HN VAL 24 7.202 4.772 -4.812 195 HA VAL 24 HA VAL 24 7.731 3.936 -2.048 196 HB VAL 24 HB VAL 24 8.945 3.071 -4.686 197 HG11 VAL 24 HG11 VAL 24 10.523 2.600 -2.914 198 HG12 VAL 24 HG12 VAL 24 9.702 1.091 -3.312 199 HG13 VAL 24 HG13 VAL 24 9.241 1.993 -1.869 200 HG21 VAL 24 HG21 VAL 24 6.998 1.611 -2.887 201 HG22 VAL 24 HG22 VAL 24 7.455 1.201 -4.541 202 HG23 VAL 24 HG23 VAL 24 6.473 2.632 -4.225 203 H ILE 25 HN ILE 25 9.254 4.766 -0.774 204 HA ILE 25 HA ILE 25 11.379 6.501 -1.964 205 HB ILE 25 HB ILE 25 10.351 6.222 0.877 206 HG12 ILE 25 HG12 ILE 25 10.227 8.584 -1.024 207 HG13 ILE 25 HG11 ILE 25 8.907 7.432 -0.817 208 HG21 ILE 25 HG21 ILE 25 12.611 7.837 -0.314 209 HG22 ILE 25 HG22 ILE 25 12.666 6.736 1.062 210 HG23 ILE 25 HG23 ILE 25 11.839 8.286 1.206 211 HD11 ILE 25 HD11 ILE 25 8.474 8.109 1.376 212 HD12 ILE 25 HD12 ILE 25 8.926 9.633 0.615 213 HD13 ILE 25 HD13 ILE 25 10.094 8.767 1.608 214 H GLN 26 HN GLN 26 10.940 3.995 0.552 215 HA GLN 26 HA GLN 26 13.543 2.812 -0.227 216 HB2 GLN 26 HB2 GLN 26 14.083 4.465 1.546 217 HB3 GLN 26 HB1 GLN 26 12.927 3.676 2.619 218 HG2 GLN 26 HG2 GLN 26 14.215 1.578 2.478 219 HG3 GLN 26 HG1 GLN 26 15.361 2.351 1.383 220 HE21 GLN 26 HE21 GLN 26 16.159 4.633 2.426 221 HE22 GLN 26 HE22 GLN 26 16.653 4.509 4.045 222 H LEU 27 HN LEU 27 13.650 0.635 0.237 223 HA LEU 27 HA LEU 27 11.380 -0.629 1.686 224 HB2 LEU 27 HB2 LEU 27 11.017 -2.241 -0.051 225 HB3 LEU 27 HB1 LEU 27 10.958 -0.650 -0.800 226 HG LEU 27 HG LEU 27 13.325 -2.556 -0.828 227 HD11 LEU 27 HD11 LEU 27 11.388 -3.138 -2.293 228 HD12 LEU 27 HD12 LEU 27 12.848 -2.744 -3.202 229 HD13 LEU 27 HD13 LEU 27 11.545 -1.561 -3.069 230 HD21 LEU 27 HD21 LEU 27 14.352 -0.446 -0.882 231 HD22 LEU 27 HD22 LEU 27 12.987 0.314 -1.705 232 HD23 LEU 27 HD23 LEU 27 14.079 -0.746 -2.595 233 H TRP 28 HN TRP 28 11.978 -2.383 2.919 234 HA TRP 28 HA TRP 28 14.809 -3.360 2.651 235 HB2 TRP 28 HB2 TRP 28 14.592 -1.811 4.567 236 HB3 TRP 28 HB1 TRP 28 13.293 -2.810 5.219 237 HD1 TRP 28 HD1 TRP 28 17.034 -3.008 4.344 238 HE1 TRP 28 HE1 TRP 28 18.114 -4.817 5.830 239 HE3 TRP 28 HE3 TRP 28 12.878 -4.814 6.687 240 HZ2 TRP 28 HZ2 TRP 28 17.317 -6.771 7.761 241 HZ3 TRP 28 HZ3 TRP 28 13.064 -6.643 8.347 242 HH2 TRP 28 HH2 TRP 28 15.276 -7.626 8.885 243 H GLU 29 HN GLU 29 14.847 -5.514 2.297 244 HA GLU 29 HA GLU 29 12.491 -7.132 2.345 245 HB2 GLU 29 HB2 GLU 29 15.424 -7.856 2.237 246 HB3 GLU 29 HB1 GLU 29 14.126 -9.041 2.083 247 HG2 GLU 29 HG2 GLU 29 13.223 -7.847 0.147 248 HG3 GLU 29 HG1 GLU 29 14.457 -6.599 0.317 249 H ASN 30 HN ASN 30 11.671 -8.505 3.874 250 HA ASN 30 HA ASN 30 12.635 -8.157 6.623 251 HB2 ASN 30 HB2 ASN 30 10.169 -8.262 5.797 252 HB3 ASN 30 HB1 ASN 30 10.408 -10.009 5.781 253 HD21 ASN 30 HD21 ASN 30 9.023 -10.427 7.609 254 HD22 ASN 30 HD22 ASN 30 9.417 -9.921 9.180 255 H THR 31 HN THR 31 12.731 -10.195 8.023 256 HA THR 31 HA THR 31 14.419 -12.230 6.630 257 HB THR 31 HB THR 31 15.227 -12.777 8.892 258 HG1 THR 31 HG1 THR 31 13.204 -10.947 9.576 259 HG21 THR 31 HG21 THR 31 16.164 -10.462 9.460 260 HG22 THR 31 HG22 THR 31 15.205 -9.859 8.107 261 HG23 THR 31 HG23 THR 31 16.476 -11.050 7.826 262 H HIS 32 HN HIS 32 11.267 -11.817 7.397 263 HA HIS 32 HA HIS 32 10.825 -14.642 8.292 264 HB2 HIS 32 HB2 HIS 32 9.010 -12.216 8.313 265 HB3 HIS 32 HB1 HIS 32 8.493 -13.842 8.758 266 HD1 HIS 32 HD1 HIS 32 9.720 -14.936 10.852 267 HD2 HIS 32 HD2 HIS 32 10.438 -10.865 10.320 268 HE1 HIS 32 HE1 HIS 32 10.710 -14.093 13.026 269 H GLU 33 HN GLU 33 9.809 -16.062 6.956 270 HA GLU 33 HA GLU 33 9.582 -15.491 4.152 271 HB2 GLU 33 HB2 GLU 33 10.021 -17.751 5.175 272 HB3 GLU 33 HB1 GLU 33 8.336 -17.792 5.690 273 HG2 GLU 33 HG2 GLU 33 8.463 -18.983 3.605 274 HG3 GLU 33 HG1 GLU 33 7.700 -17.430 3.257 275 H SER 34 HN SER 34 7.284 -15.467 6.825 276 HA SER 34 HA SER 34 4.879 -15.466 5.313 277 HB2 SER 34 HB2 SER 34 4.949 -15.718 7.774 278 HB3 SER 34 HB1 SER 34 5.459 -14.040 7.928 279 HG SER 34 HG SER 34 3.267 -14.042 8.147 280 H ILE 35 HN ILE 35 6.993 -12.772 6.324 281 HA ILE 35 HA ILE 35 5.369 -10.921 4.609 282 HB ILE 35 HB ILE 35 7.457 -10.315 6.726 283 HG12 ILE 35 HG12 ILE 35 4.458 -9.884 6.800 284 HG13 ILE 35 HG11 ILE 35 5.246 -11.297 7.506 285 HG21 ILE 35 HG21 ILE 35 7.469 -8.521 5.165 286 HG22 ILE 35 HG22 ILE 35 6.395 -7.986 6.458 287 HG23 ILE 35 HG23 ILE 35 5.721 -8.595 4.947 288 HD11 ILE 35 HD11 ILE 35 6.070 -8.478 8.221 289 HD12 ILE 35 HD12 ILE 35 6.441 -9.972 9.082 290 HD13 ILE 35 HD13 ILE 35 4.797 -9.333 9.092 291 H SER 36 HN SER 36 6.198 -10.391 2.671 292 HA SER 36 HA SER 36 8.765 -11.345 1.790 293 HB2 SER 36 HB2 SER 36 6.618 -10.790 0.421 294 HB3 SER 36 HB1 SER 36 7.243 -9.145 0.403 295 HG SER 36 HG SER 36 9.073 -9.875 -0.620 296 H GLN 37 HN GLN 37 7.590 -7.976 2.239 297 HA GLN 37 HA GLN 37 10.216 -7.214 3.328 298 HB2 GLN 37 HB2 GLN 37 10.581 -5.462 1.593 299 HB3 GLN 37 HB1 GLN 37 10.656 -7.093 0.925 300 HG2 GLN 37 HG2 GLN 37 8.307 -6.897 0.188 301 HG3 GLN 37 HG1 GLN 37 8.249 -5.251 0.825 302 HE21 GLN 37 HE21 GLN 37 11.329 -5.342 -0.160 303 HE22 GLN 37 HE22 GLN 37 11.170 -4.873 -1.783 304 H VAL 38 HN VAL 38 10.190 -5.033 4.192 305 HA VAL 38 HA VAL 38 7.478 -3.776 4.408 306 HB VAL 38 HB VAL 38 7.986 -3.311 6.812 307 HG11 VAL 38 HG11 VAL 38 7.302 -5.452 7.586 308 HG12 VAL 38 HG12 VAL 38 8.144 -6.284 6.281 309 HG13 VAL 38 HG13 VAL 38 6.684 -5.358 5.938 310 HG21 VAL 38 HG21 VAL 38 10.406 -3.468 6.788 311 HG22 VAL 38 HG22 VAL 38 10.338 -5.138 6.224 312 HG23 VAL 38 HG23 VAL 38 9.794 -4.733 7.853 313 H GLY 39 HN GLY 39 7.537 -1.567 4.185 314 HA2 GLY 39 HA2 GLY 39 10.002 -0.058 4.693 315 HA3 GLY 39 HA1 GLY 39 9.576 -0.181 2.989 316 H LEU 40 HN LEU 40 9.291 2.195 3.052 317 HA LEU 40 HA LEU 40 6.550 2.887 4.030 318 HB2 LEU 40 HB2 LEU 40 7.264 4.914 5.041 319 HB3 LEU 40 HB1 LEU 40 8.379 3.674 5.611 320 HG LEU 40 HG LEU 40 9.684 4.500 3.329 321 HD11 LEU 40 HD11 LEU 40 8.651 7.072 4.534 322 HD12 LEU 40 HD12 LEU 40 7.874 6.333 3.134 323 HD13 LEU 40 HD13 LEU 40 9.559 6.844 3.039 324 HD21 LEU 40 HD21 LEU 40 10.681 4.251 5.567 325 HD22 LEU 40 HD22 LEU 40 9.910 5.751 6.086 326 HD23 LEU 40 HD23 LEU 40 11.155 5.784 4.837 327 H LEU 41 HN LEU 41 5.431 4.394 2.803 328 HA LEU 41 HA LEU 41 6.631 4.978 0.110 329 HB2 LEU 41 HB2 LEU 41 3.698 4.856 0.869 330 HB3 LEU 41 HB1 LEU 41 4.380 4.935 -0.753 331 HG LEU 41 HG LEU 41 4.839 2.645 1.181 332 HD11 LEU 41 HD11 LEU 41 2.467 2.900 0.359 333 HD12 LEU 41 HD12 LEU 41 3.246 1.397 -0.139 334 HD13 LEU 41 HD13 LEU 41 3.083 2.727 -1.285 335 HD21 LEU 41 HD21 LEU 41 5.542 1.534 -1.031 336 HD22 LEU 41 HD22 LEU 41 6.655 2.727 -0.369 337 HD23 LEU 41 HD23 LEU 41 5.585 3.162 -1.704 338 H GLY 42 HN GLY 42 6.639 7.087 -0.603 339 HA2 GLY 42 HA2 GLY 42 6.159 9.169 1.387 340 HA3 GLY 42 HA1 GLY 42 6.788 9.417 -0.238 341 H ASP 43 HN ASP 43 4.889 11.142 0.802 342 HA ASP 43 HA ASP 43 2.874 11.087 -1.246 343 HB2 ASP 43 HB2 ASP 43 1.942 9.322 0.266 344 HB3 ASP 43 HB1 ASP 43 1.862 10.524 1.556 345 H GLU 44 HN GLU 44 1.943 13.123 -1.431 346 HA GLU 44 HA GLU 44 3.169 15.349 -0.228 347 HB2 GLU 44 HB2 GLU 44 0.427 15.056 -1.480 348 HB3 GLU 44 HB1 GLU 44 1.137 16.611 -1.042 349 HG2 GLU 44 HG2 GLU 44 3.040 16.196 -2.526 350 HG3 GLU 44 HG1 GLU 44 2.410 14.596 -2.921 351 H THR 45 HN THR 45 0.742 13.260 1.083 352 HA THR 45 HA THR 45 -0.087 15.282 3.101 353 HB THR 45 HB THR 45 -1.764 13.681 3.757 354 HG1 THR 45 HG1 THR 45 -0.374 11.844 3.589 355 HG21 THR 45 HG21 THR 45 -1.456 13.576 0.744 356 HG22 THR 45 HG22 THR 45 -2.139 14.934 1.638 357 HG23 THR 45 HG23 THR 45 -2.955 13.371 1.650 358 H GLY 46 HN GLY 46 2.303 12.901 2.696 359 HA2 GLY 46 HA2 GLY 46 3.808 13.186 4.879 360 HA3 GLY 46 HA1 GLY 46 2.472 12.297 5.606 361 H ILE 47 HN ILE 47 3.886 10.541 6.077 362 HA ILE 47 HA ILE 47 4.594 8.841 3.700 363 HB ILE 47 HB ILE 47 6.507 8.004 5.039 364 HG12 ILE 47 HG12 ILE 47 5.761 10.215 6.985 365 HG13 ILE 47 HG11 ILE 47 5.514 8.495 7.288 366 HG21 ILE 47 HG21 ILE 47 7.921 9.892 4.688 367 HG22 ILE 47 HG22 ILE 47 6.593 11.024 4.939 368 HG23 ILE 47 HG23 ILE 47 6.641 10.031 3.486 369 HD11 ILE 47 HD11 ILE 47 8.158 9.907 6.853 370 HD12 ILE 47 HD12 ILE 47 7.982 8.154 6.917 371 HD13 ILE 47 HD13 ILE 47 7.595 9.130 8.334 372 H ILE 48 HN ILE 48 4.373 6.527 4.094 373 HA ILE 48 HA ILE 48 2.971 5.762 6.602 374 HB ILE 48 HB ILE 48 1.273 6.369 4.804 375 HG12 ILE 48 HG12 ILE 48 -0.044 4.242 5.194 376 HG13 ILE 48 HG11 ILE 48 1.400 3.555 5.929 377 HG21 ILE 48 HG21 ILE 48 0.987 4.939 2.923 378 HG22 ILE 48 HG22 ILE 48 2.125 3.752 3.560 379 HG23 ILE 48 HG23 ILE 48 2.712 5.306 2.967 380 HD11 ILE 48 HD11 ILE 48 1.217 4.836 7.826 381 HD12 ILE 48 HD12 ILE 48 -0.483 4.805 7.378 382 HD13 ILE 48 HD13 ILE 48 0.506 6.209 6.976 383 H LYS 49 HN LYS 49 3.337 3.674 7.235 384 HA LYS 49 HA LYS 49 5.527 2.252 5.904 385 HB2 LYS 49 HB2 LYS 49 3.935 1.768 8.424 386 HB3 LYS 49 HB1 LYS 49 5.167 0.647 7.843 387 HG2 LYS 49 HG2 LYS 49 6.873 2.367 7.957 388 HG3 LYS 49 HG1 LYS 49 5.668 3.593 8.341 389 HD2 LYS 49 HD2 LYS 49 6.597 3.069 10.434 390 HD3 LYS 49 HD1 LYS 49 5.115 2.117 10.401 391 HE2 LYS 49 HE2 LYS 49 7.058 0.795 11.209 392 HE3 LYS 49 HE1 LYS 49 6.382 0.125 9.728 393 HZ1 LYS 49 HZ1 LYS 49 8.323 2.062 9.085 394 HZ2 LYS 49 HZ2 LYS 49 8.319 0.401 8.726 395 HZ3 LYS 49 HZ3 LYS 49 8.991 0.956 10.184 396 H PHE 50 HN PHE 50 5.325 0.031 5.112 397 HA PHE 50 HA PHE 50 2.560 -1.017 4.831 398 HB2 PHE 50 HB2 PHE 50 2.634 -1.183 2.443 399 HB3 PHE 50 HB1 PHE 50 3.059 0.479 2.837 400 HD1 PHE 50 HD2 PHE 50 5.515 1.155 2.845 401 HD2 PHE 50 HD1 PHE 50 4.148 -2.615 1.305 402 HE1 PHE 50 HE2 PHE 50 7.646 0.885 1.601 403 HE2 PHE 50 HE1 PHE 50 6.279 -2.883 0.066 404 HZ PHE 50 HZ PHE 50 8.029 -1.134 0.214 405 H THR 51 HN THR 51 2.542 -3.248 4.021 406 HA THR 51 HA THR 51 5.163 -4.662 4.101 407 HB THR 51 HB THR 51 4.407 -4.790 6.414 408 HG1 THR 51 HG1 THR 51 4.583 -6.917 6.540 409 HG21 THR 51 HG21 THR 51 2.210 -5.594 7.022 410 HG22 THR 51 HG22 THR 51 1.821 -5.944 5.338 411 HG23 THR 51 HG23 THR 51 2.000 -4.274 5.871 412 H ILE 52 HN ILE 52 5.169 -6.437 2.726 413 HA ILE 52 HA ILE 52 2.640 -6.918 1.186 414 HB ILE 52 HB ILE 52 5.526 -7.554 0.510 415 HG12 ILE 52 HG12 ILE 52 3.632 -5.523 -0.708 416 HG13 ILE 52 HG11 ILE 52 4.838 -5.122 0.514 417 HG21 ILE 52 HG21 ILE 52 4.476 -7.975 -1.781 418 HG22 ILE 52 HG22 ILE 52 2.916 -7.988 -0.957 419 HG23 ILE 52 HG23 ILE 52 4.138 -9.189 -0.547 420 HD11 ILE 52 HD11 ILE 52 5.538 -4.757 -1.919 421 HD12 ILE 52 HD12 ILE 52 5.569 -6.514 -2.069 422 HD13 ILE 52 HD13 ILE 52 6.642 -5.706 -0.926 423 H TRP 53 HN TRP 53 1.555 -8.732 1.716 424 HA TRP 53 HA TRP 53 2.981 -10.916 3.148 425 HB2 TRP 53 HB2 TRP 53 0.033 -10.436 2.615 426 HB3 TRP 53 HB1 TRP 53 0.685 -11.779 3.554 427 HD1 TRP 53 HD1 TRP 53 0.001 -8.065 3.705 428 HE1 TRP 53 HE1 TRP 53 0.452 -7.204 6.090 429 HE3 TRP 53 HE3 TRP 53 2.171 -12.216 5.742 430 HZ2 TRP 53 HZ2 TRP 53 1.589 -8.150 8.542 431 HZ3 TRP 53 HZ3 TRP 53 2.928 -12.209 8.101 432 HH2 TRP 53 HH2 TRP 53 2.640 -10.183 9.503 433 H LYS 54 HN LYS 54 3.201 -12.964 2.264 434 HA LYS 54 HA LYS 54 2.833 -13.179 -0.648 435 HB2 LYS 54 HB2 LYS 54 4.068 -14.973 1.459 436 HB3 LYS 54 HB1 LYS 54 3.907 -15.467 -0.228 437 HG2 LYS 54 HG2 LYS 54 5.196 -13.486 -0.939 438 HG3 LYS 54 HG1 LYS 54 5.353 -12.981 0.743 439 HD2 LYS 54 HD2 LYS 54 6.561 -15.064 1.267 440 HD3 LYS 54 HD1 LYS 54 6.402 -15.583 -0.410 441 HE2 LYS 54 HE2 LYS 54 7.833 -13.069 0.504 442 HE3 LYS 54 HE1 LYS 54 8.625 -14.572 0.031 443 HZ1 LYS 54 HZ1 LYS 54 7.355 -14.325 -2.129 444 HZ2 LYS 54 HZ2 LYS 54 8.639 -13.244 -1.874 445 HZ3 LYS 54 HZ3 LYS 54 7.035 -12.730 -1.652 446 H ASN 55 HN ASN 55 0.362 -12.920 0.372 447 HA ASN 55 HA ASN 55 -0.884 -15.440 1.100 448 HB2 ASN 55 HB2 ASN 55 -1.736 -13.084 1.633 449 HB3 ASN 55 HB1 ASN 55 -2.259 -12.999 -0.048 450 HD21 ASN 55 HD21 ASN 55 -2.550 -16.210 0.669 451 HD22 ASN 55 HD22 ASN 55 -4.154 -16.239 1.221 452 H ALA 56 HN ALA 56 0.304 -14.188 -1.797 453 HA ALA 56 HA ALA 56 -0.830 -16.387 -3.337 454 HB1 ALA 56 HB1 ALA 56 -1.977 -14.986 -5.005 455 HB2 ALA 56 HB2 ALA 56 -1.620 -13.546 -4.052 456 HB3 ALA 56 HB3 ALA 56 -2.706 -14.777 -3.411 457 H GLU 57 HN GLU 57 0.150 -13.152 -4.447 458 HA GLU 57 HA GLU 57 2.897 -13.852 -4.911 459 HB2 GLU 57 HB2 GLU 57 2.606 -13.775 -7.507 460 HB3 GLU 57 HB1 GLU 57 2.272 -15.285 -6.662 461 HG2 GLU 57 HG2 GLU 57 -0.127 -14.798 -6.664 462 HG3 GLU 57 HG1 GLU 57 0.171 -13.231 -7.420 463 H LEU 58 HN LEU 58 3.755 -11.869 -4.605 464 HA LEU 58 HA LEU 58 2.680 -9.575 -6.181 465 HB2 LEU 58 HB2 LEU 58 3.208 -9.597 -3.201 466 HB3 LEU 58 HB1 LEU 58 3.004 -8.123 -4.149 467 HG LEU 58 HG LEU 58 0.954 -10.355 -3.997 468 HD11 LEU 58 HD11 LEU 58 1.133 -9.315 -1.822 469 HD12 LEU 58 HD12 LEU 58 -0.319 -8.688 -2.604 470 HD13 LEU 58 HD13 LEU 58 1.144 -7.705 -2.542 471 HD21 LEU 58 HD21 LEU 58 1.100 -7.704 -5.421 472 HD22 LEU 58 HD22 LEU 58 -0.468 -8.252 -4.822 473 HD23 LEU 58 HD23 LEU 58 0.425 -9.238 -5.974 474 HA PRO 59 HA PRO 59 7.227 -10.017 -6.843 475 HB2 PRO 59 HB2 PRO 59 6.540 -7.905 -8.854 476 HB3 PRO 59 HB1 PRO 59 7.517 -9.375 -9.052 477 HG2 PRO 59 HG2 PRO 59 5.034 -9.217 -10.019 478 HG3 PRO 59 HG1 PRO 59 5.668 -10.724 -9.335 479 HD2 PRO 59 HD2 PRO 59 3.713 -8.792 -8.147 480 HD3 PRO 59 HD1 PRO 59 3.809 -10.556 -7.965 481 H LEU 60 HN LEU 60 8.986 -8.549 -6.416 482 HA LEU 60 HA LEU 60 8.447 -6.587 -4.421 483 HB2 LEU 60 HB2 LEU 60 10.932 -6.827 -6.137 484 HB3 LEU 60 HB1 LEU 60 10.818 -6.069 -4.549 485 HG LEU 60 HG LEU 60 10.310 -9.002 -5.144 486 HD11 LEU 60 HD11 LEU 60 12.605 -7.568 -3.777 487 HD12 LEU 60 HD12 LEU 60 12.675 -8.456 -5.299 488 HD13 LEU 60 HD13 LEU 60 12.386 -9.319 -3.788 489 HD21 LEU 60 HD21 LEU 60 10.465 -9.033 -2.528 490 HD22 LEU 60 HD22 LEU 60 8.957 -8.517 -3.275 491 HD23 LEU 60 HD23 LEU 60 10.085 -7.314 -2.649 492 H LEU 61 HN LEU 61 8.241 -4.394 -4.502 493 HA LEU 61 HA LEU 61 7.517 -3.210 -7.075 494 HB2 LEU 61 HB2 LEU 61 7.527 -2.271 -4.207 495 HB3 LEU 61 HB1 LEU 61 7.225 -1.136 -5.524 496 HG LEU 61 HG LEU 61 5.345 -2.482 -6.304 497 HD11 LEU 61 HD11 LEU 61 6.283 -4.361 -4.128 498 HD12 LEU 61 HD12 LEU 61 5.990 -4.717 -5.831 499 HD13 LEU 61 HD13 LEU 61 4.632 -4.419 -4.749 500 HD21 LEU 61 HD21 LEU 61 3.878 -2.276 -4.273 501 HD22 LEU 61 HD22 LEU 61 4.834 -0.830 -4.596 502 HD23 LEU 61 HD23 LEU 61 5.323 -1.943 -3.319 503 H GLU 62 HN GLU 62 8.579 -1.429 -8.063 504 HA GLU 62 HA GLU 62 11.486 -1.395 -7.648 505 HB2 GLU 62 HB2 GLU 62 9.680 0.067 -9.600 506 HB3 GLU 62 HB1 GLU 62 11.444 0.145 -9.623 507 HG2 GLU 62 HG2 GLU 62 9.849 -2.424 -9.826 508 HG3 GLU 62 HG1 GLU 62 10.516 -1.560 -11.211 509 H GLN 63 HN GLN 63 12.663 0.275 -6.778 510 HA GLN 63 HA GLN 63 11.245 2.169 -5.088 511 HB2 GLN 63 HB2 GLN 63 13.357 1.141 -4.370 512 HB3 GLN 63 HB1 GLN 63 14.200 1.902 -5.721 513 HG2 GLN 63 HG2 GLN 63 13.755 4.105 -4.847 514 HG3 GLN 63 HG1 GLN 63 12.686 3.453 -3.605 515 HE21 GLN 63 HE21 GLN 63 14.980 5.025 -2.915 516 HE22 GLN 63 HE22 GLN 63 16.094 4.023 -2.118 517 H GLY 64 HN GLY 64 10.795 4.283 -5.495 518 HA2 GLY 64 HA2 GLY 64 11.197 6.449 -6.457 519 HA3 GLY 64 HA1 GLY 64 12.212 5.699 -7.690 520 H GLU 65 HN GLU 65 9.539 3.776 -7.454 521 HA GLU 65 HA GLU 65 8.165 5.225 -9.698 522 HB2 GLU 65 HB2 GLU 65 8.356 2.265 -9.065 523 HB3 GLU 65 HB1 GLU 65 7.311 2.941 -10.312 524 HG2 GLU 65 HG2 GLU 65 9.239 2.381 -11.528 525 HG3 GLU 65 HG1 GLU 65 9.497 4.090 -11.188 526 H SER 66 HN SER 66 5.898 5.270 -9.734 527 HA SER 66 HA SER 66 4.646 5.243 -7.074 528 HB2 SER 66 HB2 SER 66 3.821 6.230 -9.792 529 HB3 SER 66 HB1 SER 66 2.638 6.090 -8.494 530 HG SER 66 HG SER 66 5.121 7.387 -8.118 531 H TYR 67 HN TYR 67 2.745 4.043 -6.586 532 HA TYR 67 HA TYR 67 1.993 1.875 -8.477 533 HB2 TYR 67 HB2 TYR 67 2.976 1.479 -5.643 534 HB3 TYR 67 HB1 TYR 67 2.051 0.261 -6.518 535 HD1 TYR 67 HD2 TYR 67 2.923 -0.604 -8.724 536 HD2 TYR 67 HD1 TYR 67 5.299 1.795 -6.071 537 HE1 TYR 67 HE2 TYR 67 4.978 -1.347 -9.895 538 HE2 TYR 67 HE1 TYR 67 7.356 1.053 -7.242 539 HH TYR 67 HH TYR 67 7.374 -1.558 -9.434 540 H LEU 68 HN LEU 68 -0.111 1.186 -8.233 541 HA LEU 68 HA LEU 68 -1.823 2.826 -6.405 542 HB2 LEU 68 HB2 LEU 68 -2.457 3.118 -8.707 543 HB3 LEU 68 HB1 LEU 68 -2.367 1.391 -9.019 544 HG LEU 68 HG LEU 68 -4.306 0.987 -7.610 545 HD11 LEU 68 HD11 LEU 68 -4.078 2.585 -5.857 546 HD12 LEU 68 HD12 LEU 68 -5.534 3.064 -6.726 547 HD13 LEU 68 HD13 LEU 68 -4.022 3.928 -6.996 548 HD21 LEU 68 HD21 LEU 68 -4.791 3.357 -9.435 549 HD22 LEU 68 HD22 LEU 68 -5.998 2.180 -8.917 550 HD23 LEU 68 HD23 LEU 68 -4.672 1.679 -9.968 551 H LEU 69 HN LEU 69 -2.640 1.761 -4.692 552 HA LEU 69 HA LEU 69 -2.554 -1.226 -4.649 553 HB2 LEU 69 HB2 LEU 69 -3.038 0.737 -2.384 554 HB3 LEU 69 HB1 LEU 69 -2.703 -0.986 -2.237 555 HG LEU 69 HG LEU 69 -0.819 1.098 -3.376 556 HD11 LEU 69 HD11 LEU 69 -1.207 1.047 -0.857 557 HD12 LEU 69 HD12 LEU 69 0.462 0.817 -1.380 558 HD13 LEU 69 HD13 LEU 69 -0.502 -0.569 -0.872 559 HD21 LEU 69 HD21 LEU 69 -0.690 -1.911 -3.161 560 HD22 LEU 69 HD22 LEU 69 0.791 -0.953 -3.145 561 HD23 LEU 69 HD23 LEU 69 -0.287 -0.881 -4.535 562 H ARG 70 HN ARG 70 -4.446 -2.374 -4.708 563 HA ARG 70 HA ARG 70 -7.013 -0.868 -4.264 564 HB2 ARG 70 HB2 ARG 70 -6.468 -3.012 -6.333 565 HB3 ARG 70 HB1 ARG 70 -8.022 -2.231 -6.047 566 HG2 ARG 70 HG2 ARG 70 -6.993 -0.036 -6.584 567 HG3 ARG 70 HG1 ARG 70 -5.473 -0.859 -6.928 568 HD2 ARG 70 HD2 ARG 70 -8.077 -1.454 -8.351 569 HD3 ARG 70 HD1 ARG 70 -6.825 -0.387 -8.985 570 HE ARG 70 HE ARG 70 -5.470 -2.744 -8.442 571 HH11 ARG 70 HH21 ARG 70 -8.292 -1.828 -10.208 572 HH12 ARG 70 HH22 ARG 70 -8.117 -3.080 -11.392 573 HH21 ARG 70 HH11 ARG 70 -5.230 -4.383 -9.983 574 HH22 ARG 70 HH12 ARG 70 -6.386 -4.524 -11.264 575 H SER 71 HN SER 71 -8.557 -1.901 -3.099 576 HA SER 71 HA SER 71 -9.470 -3.408 -1.575 577 HB2 SER 71 HB2 SER 71 -8.225 -5.224 -3.627 578 HB3 SER 71 HB1 SER 71 -9.020 -5.893 -2.208 579 HG SER 71 HG SER 71 -10.868 -4.633 -2.817 580 H VAL 72 HN VAL 72 -7.420 -2.252 -0.380 581 HA VAL 72 HA VAL 72 -5.758 -4.477 0.788 582 HB VAL 72 HB VAL 72 -4.229 -2.615 1.533 583 HG11 VAL 72 HG11 VAL 72 -3.089 -2.503 -0.547 584 HG12 VAL 72 HG12 VAL 72 -4.588 -2.624 -1.470 585 HG13 VAL 72 HG13 VAL 72 -3.968 -4.028 -0.599 586 HG21 VAL 72 HG21 VAL 72 -6.091 -0.860 1.226 587 HG22 VAL 72 HG22 VAL 72 -5.712 -0.929 -0.495 588 HG23 VAL 72 HG23 VAL 72 -4.482 -0.416 0.660 589 H VAL 73 HN VAL 73 -5.320 -4.239 3.117 590 HA VAL 73 HA VAL 73 -7.627 -2.956 4.562 591 HB VAL 73 HB VAL 73 -7.568 -5.486 4.523 592 HG11 VAL 73 HG11 VAL 73 -5.188 -5.162 6.368 593 HG12 VAL 73 HG12 VAL 73 -5.022 -5.571 4.660 594 HG13 VAL 73 HG13 VAL 73 -5.879 -6.662 5.750 595 HG21 VAL 73 HG21 VAL 73 -8.721 -4.236 6.297 596 HG22 VAL 73 HG22 VAL 73 -7.212 -4.107 7.201 597 HG23 VAL 73 HG23 VAL 73 -7.965 -5.683 6.961 598 H VAL 74 HN VAL 74 -7.114 -1.557 6.171 599 HA VAL 74 HA VAL 74 -4.318 -0.813 6.521 600 HB VAL 74 HB VAL 74 -6.732 0.184 8.051 601 HG11 VAL 74 HG11 VAL 74 -5.290 2.239 8.215 602 HG12 VAL 74 HG12 VAL 74 -3.976 1.318 7.483 603 HG13 VAL 74 HG13 VAL 74 -4.617 0.841 9.055 604 HG21 VAL 74 HG21 VAL 74 -7.039 0.358 5.582 605 HG22 VAL 74 HG22 VAL 74 -5.500 1.214 5.474 606 HG23 VAL 74 HG23 VAL 74 -6.855 1.943 6.335 607 H GLY 75 HN GLY 75 -2.971 -1.732 7.956 608 HA2 GLY 75 HA2 GLY 75 -4.095 -3.397 10.150 609 HA3 GLY 75 HA1 GLY 75 -2.420 -3.411 9.596 610 H GLU 76 HN GLU 76 -2.773 -3.242 12.265 611 HA GLU 76 HA GLU 76 -2.487 -0.345 12.986 612 HB2 GLU 76 HB2 GLU 76 -3.053 -2.799 14.689 613 HB3 GLU 76 HB1 GLU 76 -2.851 -1.165 15.318 614 HG2 GLU 76 HG2 GLU 76 -5.183 -1.328 15.107 615 HG3 GLU 76 HG1 GLU 76 -4.728 -0.531 13.604 616 H TYR 77 HN TYR 77 -0.422 0.323 13.186 617 HA TYR 77 HA TYR 77 1.652 -1.651 14.116 618 HB2 TYR 77 HB2 TYR 77 1.889 -0.838 11.732 619 HB3 TYR 77 HB1 TYR 77 2.110 0.791 12.375 620 HD1 TYR 77 HD2 TYR 77 3.537 -2.613 12.188 621 HD2 TYR 77 HD1 TYR 77 4.123 1.414 13.563 622 HE1 TYR 77 HE2 TYR 77 5.923 -3.113 12.637 623 HE2 TYR 77 HE1 TYR 77 6.509 0.912 14.012 624 HH TYR 77 HH TYR 77 7.843 -2.343 13.424 625 H ASN 78 HN ASN 78 1.911 -1.183 16.247 626 HA ASN 78 HA ASN 78 2.127 0.079 18.221 627 HB2 ASN 78 HB2 ASN 78 3.828 1.626 16.251 628 HB3 ASN 78 HB1 ASN 78 3.840 1.912 17.991 629 HD21 ASN 78 HD21 ASN 78 6.179 1.002 16.626 630 HD22 ASN 78 HD22 ASN 78 6.524 -0.574 17.151 631 H ASP 79 HN ASP 79 2.745 3.159 17.420 632 HA ASP 79 HA ASP 79 -0.071 3.988 17.861 633 HB2 ASP 79 HB2 ASP 79 2.525 5.571 17.901 634 HB3 ASP 79 HB1 ASP 79 0.934 6.208 18.323 635 H ARG 80 HN ARG 80 2.013 3.454 15.310 636 HA ARG 80 HA ARG 80 0.906 5.650 13.623 637 HB2 ARG 80 HB2 ARG 80 3.174 3.683 13.201 638 HB3 ARG 80 HB1 ARG 80 2.604 4.793 11.955 639 HG2 ARG 80 HG2 ARG 80 3.068 6.707 13.441 640 HG3 ARG 80 HG1 ARG 80 3.646 5.601 14.687 641 HD2 ARG 80 HD2 ARG 80 4.835 5.749 11.906 642 HD3 ARG 80 HD1 ARG 80 5.480 6.632 13.291 643 HE ARG 80 HE ARG 80 5.262 3.908 14.048 644 HH11 ARG 80 HH21 ARG 80 6.929 5.936 11.802 645 HH12 ARG 80 HH22 ARG 80 8.347 4.943 11.760 646 HH21 ARG 80 HH11 ARG 80 7.109 2.609 14.005 647 HH22 ARG 80 HH12 ARG 80 8.449 3.060 13.007 648 H PHE 81 HN PHE 81 0.261 4.988 11.383 649 HA PHE 81 HA PHE 81 -1.425 2.526 11.508 650 HB2 PHE 81 HB2 PHE 81 -1.521 5.039 9.819 651 HB3 PHE 81 HB1 PHE 81 -2.527 3.627 9.489 652 HD1 PHE 81 HD1 PHE 81 -4.205 2.863 11.127 653 HD2 PHE 81 HD2 PHE 81 -1.931 6.454 11.736 654 HE1 PHE 81 HE1 PHE 81 -5.799 3.572 12.888 655 HE2 PHE 81 HE2 PHE 81 -3.526 7.166 13.497 656 HZ PHE 81 HZ PHE 81 -5.461 5.725 14.072 657 H GLN 82 HN GLN 82 -1.396 1.040 9.748 658 HA GLN 82 HA GLN 82 0.815 1.360 7.756 659 HB2 GLN 82 HB2 GLN 82 1.743 -0.012 9.546 660 HB3 GLN 82 HB1 GLN 82 0.330 -1.068 9.512 661 HG2 GLN 82 HG2 GLN 82 0.867 -1.850 7.302 662 HG3 GLN 82 HG1 GLN 82 2.127 -0.629 7.114 663 HE21 GLN 82 HE21 GLN 82 1.824 -3.852 7.626 664 HE22 GLN 82 HE22 GLN 82 3.194 -4.137 8.585 665 H VAL 83 HN VAL 83 0.531 0.007 5.870 666 HA VAL 83 HA VAL 83 -2.312 -0.864 5.449 667 HB VAL 83 HB VAL 83 -1.698 -0.482 2.975 668 HG11 VAL 83 HG11 VAL 83 -2.097 2.000 3.215 669 HG12 VAL 83 HG12 VAL 83 -1.894 1.809 4.957 670 HG13 VAL 83 HG13 VAL 83 -3.228 1.005 4.132 671 HG21 VAL 83 HG21 VAL 83 0.421 1.279 4.234 672 HG22 VAL 83 HG22 VAL 83 0.145 0.988 2.516 673 HG23 VAL 83 HG23 VAL 83 0.777 -0.299 3.536 674 H GLN 84 HN GLN 84 -2.606 -2.956 4.977 675 HA GLN 84 HA GLN 84 -0.182 -4.654 4.497 676 HB2 GLN 84 HB2 GLN 84 -2.901 -5.289 5.677 677 HB3 GLN 84 HB1 GLN 84 -1.640 -6.489 5.376 678 HG2 GLN 84 HG2 GLN 84 -0.104 -5.266 6.849 679 HG3 GLN 84 HG1 GLN 84 -1.335 -4.037 7.131 680 HE21 GLN 84 HE21 GLN 84 -0.711 -4.991 9.464 681 HE22 GLN 84 HE22 GLN 84 -1.734 -6.227 10.016 682 H VAL 85 HN VAL 85 -0.039 -5.765 2.622 683 HA VAL 85 HA VAL 85 -2.373 -5.672 0.743 684 HB VAL 85 HB VAL 85 0.480 -6.402 0.044 685 HG11 VAL 85 HG11 VAL 85 -1.479 -6.828 -1.532 686 HG12 VAL 85 HG12 VAL 85 -0.193 -5.810 -2.182 687 HG13 VAL 85 HG13 VAL 85 -1.690 -5.078 -1.602 688 HG21 VAL 85 HG21 VAL 85 0.716 -4.249 1.048 689 HG22 VAL 85 HG22 VAL 85 -0.800 -3.675 0.352 690 HG23 VAL 85 HG23 VAL 85 0.602 -3.941 -0.685 691 H ASN 86 HN ASN 86 -3.433 -7.551 0.372 692 HA ASN 86 HA ASN 86 -1.988 -10.132 0.623 693 HB2 ASN 86 HB2 ASN 86 -3.934 -11.041 1.979 694 HB3 ASN 86 HB1 ASN 86 -2.865 -9.933 2.841 695 HD21 ASN 86 HD21 ASN 86 -4.942 -8.483 0.457 696 HD22 ASN 86 HD22 ASN 86 -6.065 -7.817 1.540 697 H LYS 87 HN LYS 87 -3.856 -11.912 0.178 698 HA LYS 87 HA LYS 87 -4.416 -12.015 -2.476 699 HB2 LYS 87 HB2 LYS 87 -6.254 -13.531 -1.985 700 HB3 LYS 87 HB1 LYS 87 -4.931 -13.815 -0.854 701 HG2 LYS 87 HG2 LYS 87 -6.097 -12.308 0.789 702 HG3 LYS 87 HG1 LYS 87 -7.468 -12.235 -0.320 703 HD2 LYS 87 HD2 LYS 87 -6.334 -14.823 0.775 704 HD3 LYS 87 HD1 LYS 87 -7.696 -13.971 1.500 705 HE2 LYS 87 HE2 LYS 87 -8.792 -14.086 -0.826 706 HE3 LYS 87 HE1 LYS 87 -7.545 -15.266 -1.226 707 HZ1 LYS 87 HZ1 LYS 87 -9.436 -16.436 -0.434 708 HZ2 LYS 87 HZ2 LYS 87 -9.549 -15.454 0.949 709 HZ3 LYS 87 HZ3 LYS 87 -8.244 -16.526 0.769 710 H ASN 88 HN ASN 88 -6.384 -11.712 -3.752 711 HA ASN 88 HA ASN 88 -8.163 -10.456 -4.587 712 HB2 ASN 88 HB2 ASN 88 -9.007 -10.861 -2.131 713 HB3 ASN 88 HB1 ASN 88 -8.572 -9.173 -1.884 714 HD21 ASN 88 HD21 ASN 88 -9.873 -7.547 -2.918 715 HD22 ASN 88 HD22 ASN 88 -11.302 -7.916 -3.755 716 H SER 89 HN SER 89 -5.624 -8.982 -2.727 717 HA SER 89 HA SER 89 -6.175 -6.275 -3.638 718 HB2 SER 89 HB2 SER 89 -4.908 -6.887 -1.521 719 HB3 SER 89 HB1 SER 89 -3.563 -7.349 -2.559 720 HG SER 89 HG SER 89 -3.395 -5.271 -3.257 721 H SER 90 HN SER 90 -4.805 -5.082 -5.109 722 HA SER 90 HA SER 90 -3.102 -6.732 -6.934 723 HB2 SER 90 HB2 SER 90 -4.181 -5.561 -8.890 724 HB3 SER 90 HB1 SER 90 -5.242 -6.697 -8.065 725 HG SER 90 HG SER 90 -6.518 -5.053 -7.824 726 H ILE 91 HN ILE 91 -1.577 -5.431 -8.120 727 HA ILE 91 HA ILE 91 -1.280 -2.605 -7.152 728 HB ILE 91 HB ILE 91 0.897 -4.703 -7.443 729 HG12 ILE 91 HG12 ILE 91 -0.028 -3.157 -5.006 730 HG13 ILE 91 HG11 ILE 91 -0.578 -4.787 -5.388 731 HG21 ILE 91 HG21 ILE 91 2.267 -2.746 -6.425 732 HG22 ILE 91 HG22 ILE 91 0.949 -1.720 -6.987 733 HG23 ILE 91 HG23 ILE 91 1.879 -2.669 -8.143 734 HD11 ILE 91 HD11 ILE 91 1.865 -5.477 -5.452 735 HD12 ILE 91 HD12 ILE 91 1.256 -5.023 -3.860 736 HD13 ILE 91 HD13 ILE 91 2.248 -3.892 -4.781 737 H GLU 92 HN GLU 92 -0.928 -1.171 -8.792 738 HA GLU 92 HA GLU 92 -0.222 -2.303 -11.502 739 HB2 GLU 92 HB2 GLU 92 -1.945 0.113 -10.892 740 HB3 GLU 92 HB1 GLU 92 -1.616 -0.573 -12.483 741 HG2 GLU 92 HG2 GLU 92 -2.666 -2.707 -11.743 742 HG3 GLU 92 HG1 GLU 92 -3.073 -1.938 -10.209 743 H LYS 93 HN LYS 93 1.388 -1.233 -12.633 744 HA LYS 93 HA LYS 93 3.030 0.653 -11.084 745 HB2 LYS 93 HB2 LYS 93 4.048 -1.163 -12.442 746 HB3 LYS 93 HB1 LYS 93 3.413 -0.405 -13.903 747 HG2 LYS 93 HG2 LYS 93 4.686 1.645 -13.411 748 HG3 LYS 93 HG1 LYS 93 5.323 0.906 -11.941 749 HD2 LYS 93 HD2 LYS 93 5.692 -0.365 -14.658 750 HD3 LYS 93 HD1 LYS 93 6.824 0.833 -14.034 751 HE2 LYS 93 HE2 LYS 93 7.034 -0.651 -11.957 752 HE3 LYS 93 HE1 LYS 93 6.177 -1.889 -12.877 753 HZ1 LYS 93 HZ1 LYS 93 8.886 -0.982 -13.121 754 HZ2 LYS 93 HZ2 LYS 93 8.068 -1.030 -14.609 755 HZ3 LYS 93 HZ3 LYS 93 8.176 -2.428 -13.650 756 H LEU 94 HN LEU 94 2.761 2.812 -11.223 757 HA LEU 94 HA LEU 94 1.132 3.918 -13.452 758 HB2 LEU 94 HB2 LEU 94 1.928 4.873 -10.712 759 HB3 LEU 94 HB1 LEU 94 1.366 6.035 -11.913 760 HG LEU 94 HG LEU 94 -0.444 5.119 -10.400 761 HD11 LEU 94 HD11 LEU 94 -0.676 5.883 -12.959 762 HD12 LEU 94 HD12 LEU 94 -2.040 5.222 -12.062 763 HD13 LEU 94 HD13 LEU 94 -1.138 4.191 -13.168 764 HD21 LEU 94 HD21 LEU 94 -0.139 2.580 -12.008 765 HD22 LEU 94 HD22 LEU 94 -1.134 2.849 -10.582 766 HD23 LEU 94 HD23 LEU 94 0.620 2.784 -10.430 767 H SER 95 HN SER 95 1.952 5.265 -14.955 768 HA SER 95 HA SER 95 4.876 5.553 -15.110 769 HB2 SER 95 HB2 SER 95 4.442 6.411 -17.347 770 HB3 SER 95 HB1 SER 95 3.467 4.965 -17.100 771 HG SER 95 HG SER 95 1.893 6.251 -17.658 772 H GLU 96 HN GLU 96 2.450 7.198 -13.585 773 HA GLU 96 HA GLU 96 3.668 9.893 -14.025 774 HB2 GLU 96 HB2 GLU 96 0.999 9.114 -12.820 775 HB3 GLU 96 HB1 GLU 96 1.578 10.765 -13.054 776 HG2 GLU 96 HG2 GLU 96 1.302 8.756 -15.302 777 HG3 GLU 96 HG1 GLU 96 0.062 9.944 -14.897 778 HA PRO 97 HA PRO 97 5.186 8.714 -9.854 779 HB2 PRO 97 HB2 PRO 97 7.425 10.303 -9.843 780 HB3 PRO 97 HB1 PRO 97 7.365 8.698 -10.596 781 HG2 PRO 97 HG2 PRO 97 7.277 11.384 -11.861 782 HG3 PRO 97 HG1 PRO 97 7.958 9.868 -12.471 783 HD2 PRO 97 HD2 PRO 97 5.496 10.954 -13.238 784 HD3 PRO 97 HD1 PRO 97 5.976 9.260 -13.474 785 H ILE 98 HN ILE 98 5.297 9.844 -7.825 786 HA ILE 98 HA ILE 98 3.921 12.499 -7.871 787 HB ILE 98 HB ILE 98 4.247 10.456 -5.648 788 HG12 ILE 98 HG12 ILE 98 1.796 11.242 -7.247 789 HG13 ILE 98 HG11 ILE 98 2.781 9.823 -7.600 790 HG21 ILE 98 HG21 ILE 98 2.524 11.857 -4.505 791 HG22 ILE 98 HG22 ILE 98 2.687 13.049 -5.795 792 HG23 ILE 98 HG23 ILE 98 4.052 12.706 -4.734 793 HD11 ILE 98 HD11 ILE 98 2.323 8.911 -5.378 794 HD12 ILE 98 HD12 ILE 98 0.803 9.271 -6.197 795 HD13 ILE 98 HD13 ILE 98 1.412 10.359 -4.949 796 H GLU 99 HN GLU 99 5.137 14.250 -7.423 797 HA GLU 99 HA GLU 99 7.899 13.902 -6.466 798 HB2 GLU 99 HB2 GLU 99 6.312 16.295 -7.422 799 HB3 GLU 99 HB1 GLU 99 7.988 16.396 -6.879 800 HG2 GLU 99 HG2 GLU 99 8.673 14.789 -8.593 801 HG3 GLU 99 HG1 GLU 99 6.999 14.593 -9.108 802 H VAL 100 HN VAL 100 8.480 14.111 -4.377 803 HA VAL 100 HA VAL 100 6.579 15.444 -2.474 804 HB VAL 100 HB VAL 100 7.720 14.097 -0.723 805 HG11 VAL 100 HG11 VAL 100 6.709 12.477 -3.083 806 HG12 VAL 100 HG12 VAL 100 5.697 13.224 -1.847 807 HG13 VAL 100 HG13 VAL 100 6.797 11.914 -1.414 808 HG21 VAL 100 HG21 VAL 100 9.240 13.046 -3.123 809 HG22 VAL 100 HG22 VAL 100 9.186 12.207 -1.574 810 HG23 VAL 100 HG23 VAL 100 9.908 13.813 -1.683 811 H GLY 101 HN GLY 101 9.316 16.094 -4.174 812 HA2 GLY 101 HA2 GLY 101 10.377 17.923 -2.037 813 HA3 GLY 101 HA1 GLY 101 11.452 17.051 -3.135 814 H LEU 102 HN LEU 102 8.589 19.198 -3.342 815 HA LEU 102 HA LEU 102 9.534 20.230 -5.942 816 HB2 LEU 102 HB2 LEU 102 7.055 19.801 -5.161 817 HB3 LEU 102 HB1 LEU 102 7.215 21.368 -4.371 818 HG LEU 102 HG LEU 102 8.147 22.109 -6.767 819 HD11 LEU 102 HD11 LEU 102 6.286 19.817 -7.472 820 HD12 LEU 102 HD12 LEU 102 8.038 19.777 -7.676 821 HD13 LEU 102 HD13 LEU 102 7.067 20.923 -8.601 822 HD21 LEU 102 HD21 LEU 102 6.157 23.073 -5.725 823 HD22 LEU 102 HD22 LEU 102 5.214 21.641 -6.138 824 HD23 LEU 102 HD23 LEU 102 5.806 22.705 -7.414 825 H GLU 103 HN GLU 103 10.225 20.842 -2.742 826 HA GLU 103 HA GLU 103 10.169 23.632 -2.463 827 HB2 GLU 103 HB2 GLU 103 12.216 21.635 -1.461 828 HB3 GLU 103 HB1 GLU 103 12.110 23.306 -0.905 829 HG2 GLU 103 HG2 GLU 103 9.837 21.303 -0.751 830 HG3 GLU 103 HG1 GLU 103 10.906 21.702 0.596 831 H HIS 104 HN HIS 104 11.352 25.298 -3.263 832 HA HIS 104 HA HIS 104 13.414 24.653 -5.321 833 HB2 HIS 104 HB2 HIS 104 13.088 26.988 -6.047 834 HB3 HIS 104 HB1 HIS 104 11.554 26.121 -6.005 835 HD1 HIS 104 HD1 HIS 104 10.144 26.490 -3.669 836 HD2 HIS 104 HD2 HIS 104 13.064 29.327 -4.569 837 HE1 HIS 104 HE1 HIS 104 9.610 28.535 -2.272 838 H HIS 105 HN HIS 105 15.398 24.494 -4.369 839 HA HIS 105 HA HIS 105 16.151 26.031 -2.019 840 HB2 HIS 105 HB2 HIS 105 17.082 23.791 -2.463 841 HB3 HIS 105 HB1 HIS 105 17.843 24.394 -3.935 842 HD1 HIS 105 HD1 HIS 105 19.825 26.097 -3.646 843 HD2 HIS 105 HD2 HIS 105 18.405 24.487 -0.074 844 HE1 HIS 105 HE1 HIS 105 21.546 26.655 -1.875 845 H HIS 106 HN HIS 106 18.268 25.867 -4.814 846 HA HIS 106 HA HIS 106 17.941 28.706 -5.469 847 HB2 HIS 106 HB2 HIS 106 19.436 28.682 -3.445 848 HB3 HIS 106 HB1 HIS 106 20.591 27.718 -4.365 849 HD1 HIS 106 HD1 HIS 106 21.816 28.882 -6.341 850 HD2 HIS 106 HD2 HIS 106 19.287 31.418 -4.208 851 HE1 HIS 106 HE1 HIS 106 22.373 31.237 -7.083 852 H HIS 107 HN HIS 107 18.942 25.528 -6.100 853 HA HIS 107 HA HIS 107 20.771 25.905 -8.254 854 HB2 HIS 107 HB2 HIS 107 20.322 23.719 -7.134 855 HB3 HIS 107 HB1 HIS 107 18.734 23.684 -7.899 856 HD1 HIS 107 HD1 HIS 107 18.627 23.147 -10.414 857 HD2 HIS 107 HD2 HIS 107 22.521 23.309 -8.937 858 HE1 HIS 107 HE1 HIS 107 20.120 22.190 -12.223 859 H HIS 108 HN HIS 108 17.204 25.636 -8.208 860 HA HIS 108 HA HIS 108 17.093 27.213 -10.699 861 HB2 HIS 108 HB2 HIS 108 15.667 25.540 -11.852 862 HB3 HIS 108 HB1 HIS 108 17.293 24.926 -11.559 863 HD1 HIS 108 HD1 HIS 108 17.536 23.344 -9.368 864 HD2 HIS 108 HD2 HIS 108 13.652 23.992 -10.735 865 HE1 HIS 108 HE1 HIS 108 16.098 21.546 -8.315 866 H HIS 109 HN HIS 109 14.797 27.772 -11.230 867 HA HIS 109 HA HIS 109 12.789 27.342 -9.137 868 HB2 HIS 109 HB2 HIS 109 14.114 29.191 -8.176 869 HB3 HIS 109 HB1 HIS 109 13.892 30.121 -9.658 870 HD1 HIS 109 HD1 HIS 109 11.731 28.451 -6.986 871 HD2 HIS 109 HD2 HIS 109 11.607 31.676 -9.626 872 HE1 HIS 109 HE1 HIS 109 9.580 29.697 -6.495 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -9.458 8.918 -9.726 2 H2 MET 1 HT2 MET 1 -10.113 8.298 -8.286 3 H3 MET 1 HT3 MET 1 -9.557 9.903 -8.350 4 HA MET 1 HA MET 1 -11.753 10.328 -8.608 5 HB2 MET 1 HB2 MET 1 -10.550 11.000 -10.704 6 HB3 MET 1 HB1 MET 1 -11.016 9.459 -11.419 7 HG2 MET 1 HG2 MET 1 -12.616 11.129 -12.130 8 HG3 MET 1 HG1 MET 1 -13.421 10.057 -10.988 9 HE1 MET 1 HE1 MET 1 -14.130 13.128 -11.956 10 HE2 MET 1 HE2 MET 1 -12.424 13.566 -11.918 11 HE3 MET 1 HE3 MET 1 -13.564 14.404 -10.868 12 H GLU 2 HN GLU 2 -11.328 7.589 -10.857 13 HA GLU 2 HA GLU 2 -13.980 6.589 -10.376 14 HB2 GLU 2 HB2 GLU 2 -11.801 6.033 -12.155 15 HB3 GLU 2 HB1 GLU 2 -12.224 4.508 -11.386 16 HG2 GLU 2 HG2 GLU 2 -14.599 4.866 -12.026 17 HG3 GLU 2 HG1 GLU 2 -14.143 6.367 -12.832 18 HA PRO 3 HA PRO 3 -11.845 3.400 -7.564 19 HB2 PRO 3 HB2 PRO 3 -9.228 3.667 -6.891 20 HB3 PRO 3 HB1 PRO 3 -9.745 2.900 -8.406 21 HG2 PRO 3 HG2 PRO 3 -8.639 5.624 -7.945 22 HG3 PRO 3 HG1 PRO 3 -8.415 4.532 -9.321 23 HD2 PRO 3 HD2 PRO 3 -10.187 6.702 -9.246 24 HD3 PRO 3 HD1 PRO 3 -10.261 5.370 -10.421 25 H GLN 4 HN GLN 4 -11.841 3.355 -5.270 26 HA GLN 4 HA GLN 4 -12.332 5.940 -4.012 27 HB2 GLN 4 HB2 GLN 4 -13.664 3.976 -3.385 28 HB3 GLN 4 HB1 GLN 4 -12.207 3.139 -2.847 29 HG2 GLN 4 HG2 GLN 4 -11.845 4.765 -1.094 30 HG3 GLN 4 HG1 GLN 4 -13.156 5.778 -1.699 31 HE21 GLN 4 HE21 GLN 4 -13.145 4.726 0.986 32 HE22 GLN 4 HE22 GLN 4 -14.430 3.625 1.121 33 H LEU 5 HN LEU 5 -10.299 6.985 -4.156 34 HA LEU 5 HA LEU 5 -7.884 5.779 -3.066 35 HB2 LEU 5 HB2 LEU 5 -8.487 8.681 -3.716 36 HB3 LEU 5 HB1 LEU 5 -6.887 7.983 -3.464 37 HG LEU 5 HG LEU 5 -8.826 7.179 -5.656 38 HD11 LEU 5 HD11 LEU 5 -7.844 9.436 -5.963 39 HD12 LEU 5 HD12 LEU 5 -7.239 8.293 -7.163 40 HD13 LEU 5 HD13 LEU 5 -6.231 8.746 -5.790 41 HD21 LEU 5 HD21 LEU 5 -6.579 6.096 -6.497 42 HD22 LEU 5 HD22 LEU 5 -7.527 5.258 -5.273 43 HD23 LEU 5 HD23 LEU 5 -6.105 6.189 -4.799 44 H THR 6 HN THR 6 -6.920 6.209 -1.079 45 HA THR 6 HA THR 6 -8.584 7.727 0.911 46 HB THR 6 HB THR 6 -6.966 5.199 1.339 47 HG1 THR 6 HG1 THR 6 -9.638 5.803 0.903 48 HG21 THR 6 HG21 THR 6 -6.798 6.513 3.323 49 HG22 THR 6 HG22 THR 6 -8.096 5.356 3.626 50 HG23 THR 6 HG23 THR 6 -8.482 7.026 3.209 51 H LYS 7 HN LYS 7 -7.525 9.315 1.938 52 HA LYS 7 HA LYS 7 -4.709 9.805 1.308 53 HB2 LYS 7 HB2 LYS 7 -6.705 11.310 3.021 54 HB3 LYS 7 HB1 LYS 7 -5.072 11.872 2.663 55 HG2 LYS 7 HG2 LYS 7 -5.576 11.850 0.255 56 HG3 LYS 7 HG1 LYS 7 -7.205 11.265 0.594 57 HD2 LYS 7 HD2 LYS 7 -7.698 13.305 1.863 58 HD3 LYS 7 HD1 LYS 7 -6.057 13.890 1.591 59 HE2 LYS 7 HE2 LYS 7 -7.547 14.940 -0.026 60 HE3 LYS 7 HE1 LYS 7 -6.487 13.812 -0.871 61 HZ1 LYS 7 HZ1 LYS 7 -8.729 12.394 -0.016 62 HZ2 LYS 7 HZ2 LYS 7 -8.273 12.765 -1.610 63 HZ3 LYS 7 HZ3 LYS 7 -9.292 13.817 -0.748 64 H ILE 8 HN ILE 8 -3.024 9.914 2.836 65 HA ILE 8 HA ILE 8 -3.023 7.938 4.895 66 HB ILE 8 HB ILE 8 -1.185 10.288 4.355 67 HG12 ILE 8 HG12 ILE 8 -0.794 7.321 3.859 68 HG13 ILE 8 HG11 ILE 8 -1.396 8.438 2.635 69 HG21 ILE 8 HG21 ILE 8 -0.844 9.746 6.650 70 HG22 ILE 8 HG22 ILE 8 0.430 8.894 5.778 71 HG23 ILE 8 HG23 ILE 8 -0.993 8.017 6.341 72 HD11 ILE 8 HD11 ILE 8 0.967 8.273 2.280 73 HD12 ILE 8 HD12 ILE 8 1.305 8.471 3.998 74 HD13 ILE 8 HD13 ILE 8 0.696 9.832 3.056 75 H VAL 9 HN VAL 9 -3.349 11.486 5.021 76 HA VAL 9 HA VAL 9 -3.419 11.687 7.872 77 HB VAL 9 HB VAL 9 -3.085 13.598 6.282 78 HG11 VAL 9 HG11 VAL 9 -4.884 14.526 5.063 79 HG12 VAL 9 HG12 VAL 9 -6.088 13.615 5.973 80 HG13 VAL 9 HG13 VAL 9 -5.052 12.790 4.810 81 HG21 VAL 9 HG21 VAL 9 -3.640 14.030 8.625 82 HG22 VAL 9 HG22 VAL 9 -5.359 13.848 8.275 83 HG23 VAL 9 HG23 VAL 9 -4.460 15.206 7.598 84 H ASP 10 HN ASP 10 -5.809 10.691 5.542 85 HA ASP 10 HA ASP 10 -8.109 11.120 7.267 86 HB2 ASP 10 HB2 ASP 10 -8.235 10.951 4.765 87 HB3 ASP 10 HB1 ASP 10 -7.832 9.240 4.902 88 H ILE 11 HN ILE 11 -5.538 9.008 7.453 89 HA ILE 11 HA ILE 11 -6.902 6.581 8.216 90 HB ILE 11 HB ILE 11 -4.105 7.539 8.898 91 HG12 ILE 11 HG12 ILE 11 -4.874 7.263 6.403 92 HG13 ILE 11 HG11 ILE 11 -3.348 6.555 6.908 93 HG21 ILE 11 HG21 ILE 11 -5.518 4.895 9.188 94 HG22 ILE 11 HG22 ILE 11 -4.545 5.764 10.375 95 HG23 ILE 11 HG23 ILE 11 -3.767 4.968 9.007 96 HD11 ILE 11 HD11 ILE 11 -5.896 4.941 7.004 97 HD12 ILE 11 HD12 ILE 11 -4.231 4.373 6.935 98 HD13 ILE 11 HD13 ILE 11 -4.975 5.093 5.509 99 H VAL 12 HN VAL 12 -8.462 7.111 9.759 100 HA VAL 12 HA VAL 12 -7.449 8.107 12.403 101 HB VAL 12 HB VAL 12 -9.878 8.695 12.798 102 HG11 VAL 12 HG11 VAL 12 -9.797 10.690 11.247 103 HG12 VAL 12 HG12 VAL 12 -8.368 9.973 10.504 104 HG13 VAL 12 HG13 VAL 12 -8.333 10.450 12.201 105 HG21 VAL 12 HG21 VAL 12 -10.883 7.222 11.116 106 HG22 VAL 12 HG22 VAL 12 -10.033 8.074 9.828 107 HG23 VAL 12 HG23 VAL 12 -11.288 8.898 10.750 108 H GLU 13 HN GLU 13 -8.974 5.497 10.696 109 HA GLU 13 HA GLU 13 -9.125 3.966 13.255 110 HB2 GLU 13 HB2 GLU 13 -11.321 4.216 11.188 111 HB3 GLU 13 HB1 GLU 13 -11.278 2.941 12.406 112 HG2 GLU 13 HG2 GLU 13 -11.275 4.608 14.196 113 HG3 GLU 13 HG1 GLU 13 -11.233 5.913 13.011 114 H ASN 14 HN ASN 14 -8.510 1.846 13.062 115 HA ASN 14 HA ASN 14 -7.282 1.064 10.494 116 HB2 ASN 14 HB2 ASN 14 -6.306 -0.785 11.781 117 HB3 ASN 14 HB1 ASN 14 -6.017 0.754 12.589 118 HD21 ASN 14 HD21 ASN 14 -5.767 -0.823 14.527 119 HD22 ASN 14 HD22 ASN 14 -7.179 -1.216 15.384 120 H GLY 15 HN GLY 15 -7.575 -1.269 9.807 121 HA2 GLY 15 HA2 GLY 15 -8.940 -3.131 9.312 122 HA3 GLY 15 HA1 GLY 15 -10.098 -2.562 10.517 123 H GLN 16 HN GLN 16 -9.098 -0.172 8.274 124 HA GLN 16 HA GLN 16 -11.784 -0.271 6.999 125 HB2 GLN 16 HB2 GLN 16 -11.055 1.873 7.970 126 HB3 GLN 16 HB1 GLN 16 -9.635 1.870 6.922 127 HG2 GLN 16 HG2 GLN 16 -11.003 2.008 4.942 128 HG3 GLN 16 HG1 GLN 16 -12.476 1.751 5.881 129 HE21 GLN 16 HE21 GLN 16 -9.822 4.100 5.359 130 HE22 GLN 16 HE22 GLN 16 -10.693 5.445 5.918 131 H TRP 17 HN TRP 17 -12.048 -0.848 4.911 132 HA TRP 17 HA TRP 17 -9.651 -1.660 3.364 133 HB2 TRP 17 HB2 TRP 17 -12.620 -2.141 3.001 134 HB3 TRP 17 HB1 TRP 17 -11.400 -2.677 1.844 135 HD1 TRP 17 HD1 TRP 17 -12.480 -3.187 5.493 136 HE1 TRP 17 HE1 TRP 17 -11.560 -5.455 6.307 137 HE3 TRP 17 HE3 TRP 17 -9.664 -4.496 1.443 138 HZ2 TRP 17 HZ2 TRP 17 -9.856 -7.550 5.359 139 HZ3 TRP 17 HZ3 TRP 17 -8.405 -6.630 1.421 140 HH2 TRP 17 HH2 TRP 17 -8.497 -8.156 3.373 141 H ALA 18 HN ALA 18 -8.973 -0.574 1.563 142 HA ALA 18 HA ALA 18 -10.688 1.031 -0.091 143 HB1 ALA 18 HB1 ALA 18 -8.763 2.722 1.502 144 HB2 ALA 18 HB2 ALA 18 -10.405 2.444 2.072 145 HB3 ALA 18 HB3 ALA 18 -10.136 3.234 0.522 146 H ASN 19 HN ASN 19 -8.937 2.789 -1.218 147 HA ASN 19 HA ASN 19 -6.760 1.000 -2.239 148 HB2 ASN 19 HB2 ASN 19 -8.024 3.460 -3.484 149 HB3 ASN 19 HB1 ASN 19 -6.808 2.427 -4.234 150 HD21 ASN 19 HD21 ASN 19 -9.494 2.851 -5.300 151 HD22 ASN 19 HD22 ASN 19 -10.281 1.348 -5.281 152 H LEU 20 HN LEU 20 -4.639 1.925 -2.510 153 HA LEU 20 HA LEU 20 -4.210 4.569 -1.172 154 HB2 LEU 20 HB2 LEU 20 -3.685 2.361 0.218 155 HB3 LEU 20 HB1 LEU 20 -2.227 2.337 -0.768 156 HG LEU 20 HG LEU 20 -1.744 3.543 1.281 157 HD11 LEU 20 HD11 LEU 20 -0.921 4.410 -1.001 158 HD12 LEU 20 HD12 LEU 20 -0.823 5.519 0.366 159 HD13 LEU 20 HD13 LEU 20 -2.125 5.686 -0.807 160 HD21 LEU 20 HD21 LEU 20 -3.668 5.765 0.749 161 HD22 LEU 20 HD22 LEU 20 -3.133 5.075 2.279 162 HD23 LEU 20 HD23 LEU 20 -4.380 4.262 1.340 163 H LYS 21 HN LYS 21 -3.223 5.874 -2.554 164 HA LYS 21 HA LYS 21 -1.412 4.722 -4.651 165 HB2 LYS 21 HB2 LYS 21 -3.499 5.964 -5.393 166 HB3 LYS 21 HB1 LYS 21 -2.798 7.415 -4.681 167 HG2 LYS 21 HG2 LYS 21 -0.835 7.228 -6.115 168 HG3 LYS 21 HG1 LYS 21 -1.438 5.717 -6.792 169 HD2 LYS 21 HD2 LYS 21 -3.063 8.257 -6.952 170 HD3 LYS 21 HD1 LYS 21 -1.822 7.894 -8.149 171 HE2 LYS 21 HE2 LYS 21 -2.966 5.670 -8.535 172 HE3 LYS 21 HE1 LYS 21 -4.280 6.237 -7.506 173 HZ1 LYS 21 HZ1 LYS 21 -5.054 7.560 -9.097 174 HZ2 LYS 21 HZ2 LYS 21 -4.093 6.653 -10.164 175 HZ3 LYS 21 HZ3 LYS 21 -3.513 8.120 -9.532 176 H ALA 22 HN ALA 22 0.723 5.243 -4.405 177 HA ALA 22 HA ALA 22 1.559 7.850 -3.454 178 HB1 ALA 22 HB1 ALA 22 0.957 6.978 -1.280 179 HB2 ALA 22 HB2 ALA 22 2.716 7.015 -1.396 180 HB3 ALA 22 HB3 ALA 22 1.851 5.488 -1.583 181 H LYS 23 HN LYS 23 4.100 7.431 -2.671 182 HA LYS 23 HA LYS 23 5.318 5.808 -4.881 183 HB2 LYS 23 HB2 LYS 23 5.534 8.259 -5.209 184 HB3 LYS 23 HB1 LYS 23 6.355 8.370 -3.652 185 HG2 LYS 23 HG2 LYS 23 8.137 6.887 -4.458 186 HG3 LYS 23 HG1 LYS 23 7.304 6.706 -6.003 187 HD2 LYS 23 HD2 LYS 23 7.508 9.135 -6.395 188 HD3 LYS 23 HD1 LYS 23 8.358 9.308 -4.859 189 HE2 LYS 23 HE2 LYS 23 10.134 7.806 -5.663 190 HE3 LYS 23 HE1 LYS 23 9.285 7.609 -7.195 191 HZ1 LYS 23 HZ1 LYS 23 10.773 9.279 -7.666 192 HZ2 LYS 23 HZ2 LYS 23 10.661 9.979 -6.123 193 HZ3 LYS 23 HZ3 LYS 23 9.397 10.176 -7.241 194 H VAL 24 HN VAL 24 6.952 4.440 -4.361 195 HA VAL 24 HA VAL 24 7.395 3.933 -1.492 196 HB VAL 24 HB VAL 24 8.660 2.506 -3.844 197 HG11 VAL 24 HG11 VAL 24 9.491 2.128 -1.473 198 HG12 VAL 24 HG12 VAL 24 8.899 0.686 -2.298 199 HG13 VAL 24 HG13 VAL 24 7.889 1.491 -1.098 200 HG21 VAL 24 HG21 VAL 24 6.750 0.961 -3.757 201 HG22 VAL 24 HG22 VAL 24 6.185 2.592 -4.110 202 HG23 VAL 24 HG23 VAL 24 6.006 1.930 -2.487 203 H ILE 25 HN ILE 25 8.653 5.731 -0.831 204 HA ILE 25 HA ILE 25 11.039 6.576 -2.214 205 HB ILE 25 HB ILE 25 10.329 6.971 0.709 206 HG12 ILE 25 HG12 ILE 25 9.723 8.744 -1.683 207 HG13 ILE 25 HG11 ILE 25 8.538 7.710 -0.886 208 HG21 ILE 25 HG21 ILE 25 12.098 8.551 -1.187 209 HG22 ILE 25 HG22 ILE 25 12.682 7.482 0.086 210 HG23 ILE 25 HG23 ILE 25 11.788 8.942 0.504 211 HD11 ILE 25 HD11 ILE 25 8.674 8.948 1.149 212 HD12 ILE 25 HD12 ILE 25 8.578 10.154 -0.135 213 HD13 ILE 25 HD13 ILE 25 10.125 9.800 0.625 214 H GLN 26 HN GLN 26 10.443 4.440 0.572 215 HA GLN 26 HA GLN 26 13.245 3.402 0.276 216 HB2 GLN 26 HB2 GLN 26 11.662 3.934 2.806 217 HB3 GLN 26 HB1 GLN 26 13.167 3.015 2.763 218 HG2 GLN 26 HG2 GLN 26 12.875 5.851 1.745 219 HG3 GLN 26 HG1 GLN 26 13.498 5.432 3.340 220 HE21 GLN 26 HE21 GLN 26 14.636 6.388 0.443 221 HE22 GLN 26 HE22 GLN 26 16.094 5.522 0.373 222 H LEU 27 HN LEU 27 13.313 1.317 -0.141 223 HA LEU 27 HA LEU 27 11.027 -0.441 0.617 224 HB2 LEU 27 HB2 LEU 27 10.980 -0.210 -1.753 225 HB3 LEU 27 HB1 LEU 27 12.730 -0.325 -1.883 226 HG LEU 27 HG LEU 27 11.470 -2.674 -0.586 227 HD11 LEU 27 HD11 LEU 27 10.832 -1.968 -3.453 228 HD12 LEU 27 HD12 LEU 27 9.700 -2.363 -2.160 229 HD13 LEU 27 HD13 LEU 27 10.747 -3.615 -2.829 230 HD21 LEU 27 HD21 LEU 27 13.006 -3.881 -2.091 231 HD22 LEU 27 HD22 LEU 27 13.854 -2.579 -1.256 232 HD23 LEU 27 HD23 LEU 27 13.365 -2.376 -2.938 233 H TRP 28 HN TRP 28 11.597 -2.142 1.868 234 HA TRP 28 HA TRP 28 14.449 -3.036 1.912 235 HB2 TRP 28 HB2 TRP 28 12.700 -2.323 4.276 236 HB3 TRP 28 HB1 TRP 28 14.173 -3.284 4.423 237 HD1 TRP 28 HD1 TRP 28 12.948 0.240 4.014 238 HE1 TRP 28 HE1 TRP 28 14.959 1.851 3.910 239 HE3 TRP 28 HE3 TRP 28 16.753 -3.132 3.556 240 HZ2 TRP 28 HZ2 TRP 28 17.809 1.723 3.665 241 HZ3 TRP 28 HZ3 TRP 28 19.102 -2.364 3.388 242 HH2 TRP 28 HH2 TRP 28 19.635 0.057 3.441 243 H GLU 29 HN GLU 29 14.447 -5.131 1.367 244 HA GLU 29 HA GLU 29 12.022 -6.772 1.810 245 HB2 GLU 29 HB2 GLU 29 13.104 -6.793 -0.414 246 HB3 GLU 29 HB1 GLU 29 14.578 -7.420 0.326 247 HG2 GLU 29 HG2 GLU 29 13.382 -9.422 1.083 248 HG3 GLU 29 HG1 GLU 29 11.873 -8.788 0.424 249 H ASN 30 HN ASN 30 12.006 -8.637 3.076 250 HA ASN 30 HA ASN 30 14.415 -9.045 4.831 251 HB2 ASN 30 HB2 ASN 30 12.875 -9.766 6.577 252 HB3 ASN 30 HB1 ASN 30 12.428 -8.153 6.026 253 HD21 ASN 30 HD21 ASN 30 10.211 -8.724 6.886 254 HD22 ASN 30 HD22 ASN 30 9.172 -9.647 5.913 255 H THR 31 HN THR 31 14.601 -11.300 5.653 256 HA THR 31 HA THR 31 14.099 -13.230 3.456 257 HB THR 31 HB THR 31 15.701 -13.521 6.021 258 HG1 THR 31 HG1 THR 31 17.015 -13.409 3.634 259 HG21 THR 31 HG21 THR 31 15.301 -15.716 5.329 260 HG22 THR 31 HG22 THR 31 16.789 -15.339 4.462 261 HG23 THR 31 HG23 THR 31 15.242 -15.278 3.620 262 H HIS 32 HN HIS 32 12.401 -12.149 6.018 263 HA HIS 32 HA HIS 32 11.640 -14.506 7.435 264 HB2 HIS 32 HB2 HIS 32 10.271 -11.856 6.947 265 HB3 HIS 32 HB1 HIS 32 9.529 -13.121 7.927 266 HD1 HIS 32 HD1 HIS 32 12.755 -11.094 7.779 267 HD2 HIS 32 HD2 HIS 32 10.457 -13.204 10.543 268 HE1 HIS 32 HE1 HIS 32 13.818 -10.698 10.043 269 H GLU 33 HN GLU 33 10.283 -16.138 6.914 270 HA GLU 33 HA GLU 33 9.226 -16.328 4.210 271 HB2 GLU 33 HB2 GLU 33 10.121 -18.285 5.492 272 HB3 GLU 33 HB1 GLU 33 8.746 -18.150 6.588 273 HG2 GLU 33 HG2 GLU 33 7.194 -18.502 4.714 274 HG3 GLU 33 HG1 GLU 33 8.554 -18.594 3.593 275 H SER 34 HN SER 34 7.990 -15.338 7.307 276 HA SER 34 HA SER 34 5.176 -15.656 6.492 277 HB2 SER 34 HB2 SER 34 4.683 -14.694 8.701 278 HB3 SER 34 HB1 SER 34 5.849 -16.005 8.848 279 HG SER 34 HG SER 34 6.838 -14.449 9.939 280 H ILE 35 HN ILE 35 7.661 -13.291 6.266 281 HA ILE 35 HA ILE 35 5.652 -11.271 5.330 282 HB ILE 35 HB ILE 35 8.150 -10.701 6.963 283 HG12 ILE 35 HG12 ILE 35 5.231 -10.315 7.698 284 HG13 ILE 35 HG11 ILE 35 6.173 -11.721 8.192 285 HG21 ILE 35 HG21 ILE 35 5.959 -8.894 5.892 286 HG22 ILE 35 HG22 ILE 35 7.622 -8.936 5.312 287 HG23 ILE 35 HG23 ILE 35 7.274 -8.379 6.947 288 HD11 ILE 35 HD11 ILE 35 7.851 -10.095 9.202 289 HD12 ILE 35 HD12 ILE 35 6.284 -10.163 10.008 290 HD13 ILE 35 HD13 ILE 35 6.660 -8.826 8.924 291 H SER 36 HN SER 36 6.090 -10.525 3.341 292 HA SER 36 HA SER 36 8.379 -11.532 1.866 293 HB2 SER 36 HB2 SER 36 6.172 -11.155 0.802 294 HB3 SER 36 HB1 SER 36 6.340 -9.427 1.097 295 HG SER 36 HG SER 36 8.059 -11.073 -0.458 296 H GLN 37 HN GLN 37 7.310 -8.139 2.035 297 HA GLN 37 HA GLN 37 10.061 -7.339 2.846 298 HB2 GLN 37 HB2 GLN 37 10.152 -5.648 1.060 299 HB3 GLN 37 HB1 GLN 37 9.993 -7.261 0.366 300 HG2 GLN 37 HG2 GLN 37 7.531 -6.889 0.177 301 HG3 GLN 37 HG1 GLN 37 7.765 -5.242 0.765 302 HE21 GLN 37 HE21 GLN 37 7.931 -7.267 -2.048 303 HE22 GLN 37 HE22 GLN 37 8.553 -6.095 -3.107 304 H VAL 38 HN VAL 38 10.153 -5.063 3.506 305 HA VAL 38 HA VAL 38 7.507 -3.937 4.345 306 HB VAL 38 HB VAL 38 8.570 -3.282 6.499 307 HG11 VAL 38 HG11 VAL 38 8.705 -5.638 7.431 308 HG12 VAL 38 HG12 VAL 38 8.539 -6.222 5.774 309 HG13 VAL 38 HG13 VAL 38 7.241 -5.285 6.513 310 HG21 VAL 38 HG21 VAL 38 10.853 -4.980 5.436 311 HG22 VAL 38 HG22 VAL 38 10.713 -4.444 7.110 312 HG23 VAL 38 HG23 VAL 38 10.910 -3.259 5.819 313 H GLY 39 HN GLY 39 7.551 -1.610 4.583 314 HA2 GLY 39 HA2 GLY 39 9.886 -0.031 4.129 315 HA3 GLY 39 HA1 GLY 39 9.068 -0.274 2.586 316 H LEU 40 HN LEU 40 8.921 2.174 2.876 317 HA LEU 40 HA LEU 40 6.305 2.799 4.163 318 HB2 LEU 40 HB2 LEU 40 7.145 4.763 5.215 319 HB3 LEU 40 HB1 LEU 40 8.300 3.488 5.593 320 HG LEU 40 HG LEU 40 9.369 4.419 3.236 321 HD11 LEU 40 HD11 LEU 40 8.550 6.963 4.637 322 HD12 LEU 40 HD12 LEU 40 7.535 6.271 3.374 323 HD13 LEU 40 HD13 LEU 40 9.191 6.746 3.008 324 HD21 LEU 40 HD21 LEU 40 10.602 4.063 5.331 325 HD22 LEU 40 HD22 LEU 40 9.887 5.521 6.018 326 HD23 LEU 40 HD23 LEU 40 10.994 5.642 4.649 327 H LEU 41 HN LEU 41 5.133 4.463 3.162 328 HA LEU 41 HA LEU 41 6.019 5.050 0.361 329 HB2 LEU 41 HB2 LEU 41 3.236 5.237 1.541 330 HB3 LEU 41 HB1 LEU 41 3.685 5.308 -0.161 331 HG LEU 41 HG LEU 41 4.053 2.920 1.661 332 HD11 LEU 41 HD11 LEU 41 1.698 3.424 0.976 333 HD12 LEU 41 HD12 LEU 41 2.294 1.891 0.340 334 HD13 LEU 41 HD13 LEU 41 2.206 3.306 -0.709 335 HD21 LEU 41 HD21 LEU 41 5.806 2.769 0.091 336 HD22 LEU 41 HD22 LEU 41 4.841 3.496 -1.195 337 HD23 LEU 41 HD23 LEU 41 4.518 1.842 -0.674 338 H GLY 42 HN GLY 42 5.434 7.189 -0.475 339 HA2 GLY 42 HA2 GLY 42 5.112 9.303 1.602 340 HA3 GLY 42 HA1 GLY 42 6.481 9.392 0.497 341 H ASP 43 HN ASP 43 3.728 10.854 0.961 342 HA ASP 43 HA ASP 43 3.351 11.462 -1.899 343 HB2 ASP 43 HB2 ASP 43 0.919 11.110 -1.813 344 HB3 ASP 43 HB1 ASP 43 1.772 9.598 -1.500 345 H GLU 44 HN GLU 44 1.093 13.018 -1.691 346 HA GLU 44 HA GLU 44 2.123 15.338 -0.268 347 HB2 GLU 44 HB2 GLU 44 0.164 16.489 -1.203 348 HB3 GLU 44 HB1 GLU 44 0.957 15.528 -2.451 349 HG2 GLU 44 HG2 GLU 44 -0.683 13.696 -2.035 350 HG3 GLU 44 HG1 GLU 44 -1.517 14.740 -0.883 351 H THR 45 HN THR 45 0.161 12.695 0.574 352 HA THR 45 HA THR 45 -1.366 14.174 2.635 353 HB THR 45 HB THR 45 -2.525 12.090 3.006 354 HG1 THR 45 HG1 THR 45 -1.460 10.456 1.265 355 HG21 THR 45 HG21 THR 45 -1.946 12.512 0.059 356 HG22 THR 45 HG22 THR 45 -3.210 13.302 1.001 357 HG23 THR 45 HG23 THR 45 -3.292 11.568 0.694 358 H GLY 46 HN GLY 46 1.678 12.796 2.358 359 HA2 GLY 46 HA2 GLY 46 3.079 13.138 4.437 360 HA3 GLY 46 HA1 GLY 46 1.828 12.262 5.315 361 H ILE 47 HN ILE 47 3.207 10.596 5.972 362 HA ILE 47 HA ILE 47 4.090 8.722 3.806 363 HB ILE 47 HB ILE 47 6.032 8.142 5.238 364 HG12 ILE 47 HG12 ILE 47 5.190 10.534 6.913 365 HG13 ILE 47 HG11 ILE 47 4.950 8.859 7.407 366 HG21 ILE 47 HG21 ILE 47 7.267 10.300 4.905 367 HG22 ILE 47 HG22 ILE 47 5.729 11.073 4.522 368 HG23 ILE 47 HG23 ILE 47 6.356 9.794 3.488 369 HD11 ILE 47 HD11 ILE 47 7.403 8.478 7.191 370 HD12 ILE 47 HD12 ILE 47 7.011 9.701 8.400 371 HD13 ILE 47 HD13 ILE 47 7.607 10.188 6.813 372 H ILE 48 HN ILE 48 4.044 6.469 4.410 373 HA ILE 48 HA ILE 48 2.819 5.765 6.996 374 HB ILE 48 HB ILE 48 0.859 6.303 5.614 375 HG12 ILE 48 HG12 ILE 48 1.117 3.300 5.872 376 HG13 ILE 48 HG11 ILE 48 0.913 4.362 7.265 377 HG21 ILE 48 HG21 ILE 48 1.875 4.118 3.772 378 HG22 ILE 48 HG22 ILE 48 1.918 5.844 3.408 379 HG23 ILE 48 HG23 ILE 48 0.370 5.020 3.593 380 HD11 ILE 48 HD11 ILE 48 -1.253 3.437 6.430 381 HD12 ILE 48 HD12 ILE 48 -0.975 4.264 4.897 382 HD13 ILE 48 HD13 ILE 48 -1.194 5.199 6.376 383 H LYS 49 HN LYS 49 3.209 3.637 7.578 384 HA LYS 49 HA LYS 49 5.291 2.270 6.048 385 HB2 LYS 49 HB2 LYS 49 3.920 1.626 8.659 386 HB3 LYS 49 HB1 LYS 49 5.219 0.654 7.962 387 HG2 LYS 49 HG2 LYS 49 6.685 2.660 7.950 388 HG3 LYS 49 HG1 LYS 49 5.394 3.586 8.717 389 HD2 LYS 49 HD2 LYS 49 5.424 2.062 10.640 390 HD3 LYS 49 HD1 LYS 49 6.687 1.104 9.869 391 HE2 LYS 49 HE2 LYS 49 7.671 2.645 11.510 392 HE3 LYS 49 HE1 LYS 49 8.179 3.078 9.877 393 HZ1 LYS 49 HZ1 LYS 49 7.510 5.044 11.039 394 HZ2 LYS 49 HZ2 LYS 49 6.017 4.352 11.464 395 HZ3 LYS 49 HZ3 LYS 49 6.357 4.717 9.839 396 H PHE 50 HN PHE 50 5.101 0.124 5.191 397 HA PHE 50 HA PHE 50 2.355 -1.022 5.071 398 HB2 PHE 50 HB2 PHE 50 2.352 -1.203 2.689 399 HB3 PHE 50 HB1 PHE 50 2.776 0.468 3.047 400 HD1 PHE 50 HD2 PHE 50 5.152 1.235 2.826 401 HD2 PHE 50 HD1 PHE 50 3.907 -2.707 1.658 402 HE1 PHE 50 HE2 PHE 50 7.238 0.963 1.509 403 HE2 PHE 50 HE1 PHE 50 5.993 -2.979 0.350 404 HZ PHE 50 HZ PHE 50 7.659 -1.145 0.274 405 H THR 51 HN THR 51 2.330 -3.252 4.595 406 HA THR 51 HA THR 51 4.972 -4.645 4.531 407 HB THR 51 HB THR 51 2.640 -5.324 6.351 408 HG1 THR 51 HG1 THR 51 4.962 -3.880 6.617 409 HG21 THR 51 HG21 THR 51 3.696 -7.351 5.594 410 HG22 THR 51 HG22 THR 51 4.292 -7.027 7.223 411 HG23 THR 51 HG23 THR 51 5.301 -6.659 5.824 412 H ILE 52 HN ILE 52 5.004 -6.254 3.049 413 HA ILE 52 HA ILE 52 2.422 -7.000 1.737 414 HB ILE 52 HB ILE 52 5.275 -7.227 0.747 415 HG12 ILE 52 HG12 ILE 52 3.007 -5.453 -0.199 416 HG13 ILE 52 HG11 ILE 52 4.267 -4.912 0.907 417 HG21 ILE 52 HG21 ILE 52 4.066 -7.747 -1.433 418 HG22 ILE 52 HG22 ILE 52 2.603 -7.960 -0.473 419 HG23 ILE 52 HG23 ILE 52 3.992 -9.014 -0.210 420 HD11 ILE 52 HD11 ILE 52 5.965 -5.168 -0.728 421 HD12 ILE 52 HD12 ILE 52 4.625 -4.424 -1.596 422 HD13 ILE 52 HD13 ILE 52 4.935 -6.152 -1.766 423 H TRP 53 HN TRP 53 1.670 -9.022 1.978 424 HA TRP 53 HA TRP 53 3.366 -10.991 3.425 425 HB2 TRP 53 HB2 TRP 53 0.419 -10.978 2.713 426 HB3 TRP 53 HB1 TRP 53 1.228 -12.257 3.618 427 HD1 TRP 53 HD1 TRP 53 0.210 -8.581 3.878 428 HE1 TRP 53 HE1 TRP 53 0.266 -7.877 6.357 429 HE3 TRP 53 HE3 TRP 53 2.254 -12.783 5.935 430 HZ2 TRP 53 HZ2 TRP 53 1.078 -8.958 8.882 431 HZ3 TRP 53 HZ3 TRP 53 2.658 -12.919 8.375 432 HH2 TRP 53 HH2 TRP 53 2.073 -11.015 9.851 433 H LYS 54 HN LYS 54 3.904 -12.990 2.539 434 HA LYS 54 HA LYS 54 4.159 -13.144 -0.318 435 HB2 LYS 54 HB2 LYS 54 4.506 -15.220 1.863 436 HB3 LYS 54 HB1 LYS 54 4.888 -15.520 0.167 437 HG2 LYS 54 HG2 LYS 54 6.456 -13.586 0.204 438 HG3 LYS 54 HG1 LYS 54 6.110 -13.364 1.919 439 HD2 LYS 54 HD2 LYS 54 6.943 -15.638 2.388 440 HD3 LYS 54 HD1 LYS 54 7.290 -15.865 0.673 441 HE2 LYS 54 HE2 LYS 54 8.855 -13.944 0.748 442 HE3 LYS 54 HE1 LYS 54 8.530 -13.764 2.471 443 HZ1 LYS 54 HZ1 LYS 54 9.161 -16.420 2.086 444 HZ2 LYS 54 HZ2 LYS 54 10.122 -15.234 2.830 445 HZ3 LYS 54 HZ3 LYS 54 10.295 -15.553 1.170 446 H ASN 55 HN ASN 55 1.508 -13.636 1.669 447 HA ASN 55 HA ASN 55 0.240 -15.908 0.504 448 HB2 ASN 55 HB2 ASN 55 -0.815 -13.417 1.856 449 HB3 ASN 55 HB1 ASN 55 -1.893 -14.685 1.273 450 HD21 ASN 55 HD21 ASN 55 -1.701 -14.105 4.060 451 HD22 ASN 55 HD22 ASN 55 -0.971 -15.425 4.839 452 H ALA 56 HN ALA 56 0.231 -12.471 -0.406 453 HA ALA 56 HA ALA 56 -1.644 -12.827 -2.592 454 HB1 ALA 56 HB1 ALA 56 -1.197 -10.643 -1.418 455 HB2 ALA 56 HB2 ALA 56 -1.076 -10.540 -3.174 456 HB3 ALA 56 HB3 ALA 56 0.387 -10.609 -2.191 457 H GLU 57 HN GLU 57 1.618 -13.616 -2.135 458 HA GLU 57 HA GLU 57 3.364 -14.176 -3.599 459 HB2 GLU 57 HB2 GLU 57 0.946 -15.107 -5.179 460 HB3 GLU 57 HB1 GLU 57 2.610 -15.591 -5.508 461 HG2 GLU 57 HG2 GLU 57 1.201 -16.022 -2.859 462 HG3 GLU 57 HG1 GLU 57 1.370 -17.257 -4.108 463 H LEU 58 HN LEU 58 2.816 -11.491 -3.788 464 HA LEU 58 HA LEU 58 2.610 -10.866 -6.679 465 HB2 LEU 58 HB2 LEU 58 2.505 -9.227 -4.148 466 HB3 LEU 58 HB1 LEU 58 2.718 -8.451 -5.717 467 HG LEU 58 HG LEU 58 0.480 -10.434 -5.262 468 HD11 LEU 58 HD11 LEU 58 -1.002 -8.581 -4.674 469 HD12 LEU 58 HD12 LEU 58 0.342 -7.445 -4.779 470 HD13 LEU 58 HD13 LEU 58 0.323 -8.673 -3.514 471 HD21 LEU 58 HD21 LEU 58 0.741 -9.899 -7.572 472 HD22 LEU 58 HD22 LEU 58 1.040 -8.196 -7.231 473 HD23 LEU 58 HD23 LEU 58 -0.576 -8.868 -7.024 474 HA PRO 59 HA PRO 59 7.000 -10.406 -7.086 475 HB2 PRO 59 HB2 PRO 59 7.158 -8.505 -9.055 476 HB3 PRO 59 HB1 PRO 59 6.643 -10.178 -9.358 477 HG2 PRO 59 HG2 PRO 59 4.967 -7.729 -8.975 478 HG3 PRO 59 HG1 PRO 59 4.804 -9.027 -10.172 479 HD2 PRO 59 HD2 PRO 59 3.265 -8.942 -7.933 480 HD3 PRO 59 HD1 PRO 59 3.784 -10.478 -8.663 481 H LEU 60 HN LEU 60 8.790 -8.921 -6.739 482 HA LEU 60 HA LEU 60 8.356 -7.081 -4.597 483 HB2 LEU 60 HB2 LEU 60 10.756 -7.271 -6.436 484 HB3 LEU 60 HB1 LEU 60 10.728 -6.572 -4.817 485 HG LEU 60 HG LEU 60 10.132 -9.472 -5.483 486 HD11 LEU 60 HD11 LEU 60 12.563 -8.068 -4.359 487 HD12 LEU 60 HD12 LEU 60 12.473 -9.122 -5.770 488 HD13 LEU 60 HD13 LEU 60 12.291 -9.799 -4.151 489 HD21 LEU 60 HD21 LEU 60 10.469 -9.577 -2.877 490 HD22 LEU 60 HD22 LEU 60 8.919 -9.037 -3.514 491 HD23 LEU 60 HD23 LEU 60 10.093 -7.855 -2.933 492 H LEU 61 HN LEU 61 8.144 -4.897 -4.554 493 HA LEU 61 HA LEU 61 7.298 -3.551 -6.989 494 HB2 LEU 61 HB2 LEU 61 7.605 -2.745 -4.097 495 HB3 LEU 61 HB1 LEU 61 7.225 -1.546 -5.334 496 HG LEU 61 HG LEU 61 5.246 -2.844 -6.003 497 HD11 LEU 61 HD11 LEU 61 6.295 -4.743 -3.899 498 HD12 LEU 61 HD12 LEU 61 5.818 -5.096 -5.561 499 HD13 LEU 61 HD13 LEU 61 4.589 -4.733 -4.350 500 HD21 LEU 61 HD21 LEU 61 5.501 -2.225 -3.046 501 HD22 LEU 61 HD22 LEU 61 3.965 -2.594 -3.830 502 HD23 LEU 61 HD23 LEU 61 4.879 -1.166 -4.311 503 H GLU 62 HN GLU 62 8.321 -1.757 -7.978 504 HA GLU 62 HA GLU 62 11.245 -1.841 -7.878 505 HB2 GLU 62 HB2 GLU 62 9.906 -1.577 -10.001 506 HB3 GLU 62 HB1 GLU 62 9.451 0.034 -9.447 507 HG2 GLU 62 HG2 GLU 62 11.359 0.282 -10.902 508 HG3 GLU 62 HG1 GLU 62 11.914 0.568 -9.251 509 H GLN 63 HN GLN 63 12.366 -0.674 -6.443 510 HA GLN 63 HA GLN 63 11.226 1.292 -4.721 511 HB2 GLN 63 HB2 GLN 63 13.231 -0.037 -4.159 512 HB3 GLN 63 HB1 GLN 63 14.141 0.812 -5.410 513 HG2 GLN 63 HG2 GLN 63 13.874 2.921 -4.263 514 HG3 GLN 63 HG1 GLN 63 12.772 2.200 -3.092 515 HE21 GLN 63 HE21 GLN 63 15.257 3.504 -2.341 516 HE22 GLN 63 HE22 GLN 63 16.270 2.323 -1.665 517 H GLY 64 HN GLY 64 11.038 3.476 -4.896 518 HA2 GLY 64 HA2 GLY 64 11.481 5.667 -5.683 519 HA3 GLY 64 HA1 GLY 64 12.645 4.994 -6.827 520 H GLU 65 HN GLU 65 9.366 3.741 -6.587 521 HA GLU 65 HA GLU 65 8.623 5.193 -9.093 522 HB2 GLU 65 HB2 GLU 65 8.455 2.203 -8.630 523 HB3 GLU 65 HB1 GLU 65 7.686 3.042 -9.976 524 HG2 GLU 65 HG2 GLU 65 10.659 3.115 -9.383 525 HG3 GLU 65 HG1 GLU 65 9.904 2.074 -10.588 526 H SER 66 HN SER 66 6.378 5.341 -9.479 527 HA SER 66 HA SER 66 4.791 5.501 -7.037 528 HB2 SER 66 HB2 SER 66 4.346 6.253 -9.913 529 HB3 SER 66 HB1 SER 66 3.002 6.250 -8.773 530 HG SER 66 HG SER 66 5.147 7.435 -7.675 531 H TYR 67 HN TYR 67 3.044 4.209 -6.498 532 HA TYR 67 HA TYR 67 2.281 2.020 -8.369 533 HB2 TYR 67 HB2 TYR 67 3.424 1.717 -5.594 534 HB3 TYR 67 HB1 TYR 67 2.289 0.518 -6.213 535 HD1 TYR 67 HD1 TYR 67 2.773 -0.380 -8.624 536 HD2 TYR 67 HD2 TYR 67 5.712 1.488 -6.112 537 HE1 TYR 67 HE1 TYR 67 4.579 -1.448 -9.943 538 HE2 TYR 67 HE2 TYR 67 7.518 0.418 -7.429 539 HH TYR 67 HH TYR 67 6.871 -2.057 -9.756 540 H LEU 68 HN LEU 68 0.200 1.293 -8.111 541 HA LEU 68 HA LEU 68 -1.545 2.896 -6.283 542 HB2 LEU 68 HB2 LEU 68 -2.084 3.329 -8.592 543 HB3 LEU 68 HB1 LEU 68 -2.084 1.610 -8.978 544 HG LEU 68 HG LEU 68 -4.055 1.255 -7.597 545 HD11 LEU 68 HD11 LEU 68 -3.550 4.123 -6.807 546 HD12 LEU 68 HD12 LEU 68 -3.809 2.724 -5.764 547 HD13 LEU 68 HD13 LEU 68 -5.159 3.418 -6.658 548 HD21 LEU 68 HD21 LEU 68 -5.659 2.454 -8.917 549 HD22 LEU 68 HD22 LEU 68 -4.264 2.175 -9.959 550 HD23 LEU 68 HD23 LEU 68 -4.517 3.761 -9.229 551 H LEU 69 HN LEU 69 -2.323 1.751 -4.617 552 HA LEU 69 HA LEU 69 -2.421 -1.231 -4.798 553 HB2 LEU 69 HB2 LEU 69 -2.666 0.555 -2.357 554 HB3 LEU 69 HB1 LEU 69 -2.472 -1.195 -2.373 555 HG LEU 69 HG LEU 69 -0.453 0.812 -3.415 556 HD11 LEU 69 HD11 LEU 69 -0.641 -0.838 -0.889 557 HD12 LEU 69 HD12 LEU 69 -0.388 0.901 -1.044 558 HD13 LEU 69 HD13 LEU 69 0.900 -0.220 -1.482 559 HD21 LEU 69 HD21 LEU 69 -0.576 -2.205 -3.408 560 HD22 LEU 69 HD22 LEU 69 0.981 -1.377 -3.380 561 HD23 LEU 69 HD23 LEU 69 -0.126 -1.118 -4.724 562 H ARG 70 HN ARG 70 -4.364 -2.258 -4.793 563 HA ARG 70 HA ARG 70 -6.818 -0.653 -4.155 564 HB2 ARG 70 HB2 ARG 70 -6.378 -2.612 -6.418 565 HB3 ARG 70 HB1 ARG 70 -7.958 -1.978 -5.953 566 HG2 ARG 70 HG2 ARG 70 -7.217 0.303 -6.394 567 HG3 ARG 70 HG1 ARG 70 -5.588 -0.268 -6.746 568 HD2 ARG 70 HD2 ARG 70 -6.768 0.107 -8.846 569 HD3 ARG 70 HD1 ARG 70 -6.515 -1.624 -8.628 570 HE ARG 70 HE ARG 70 -9.060 -0.890 -7.535 571 HH11 ARG 70 HH21 ARG 70 -7.332 -1.262 -10.504 572 HH12 ARG 70 HH22 ARG 70 -8.743 -1.661 -11.426 573 HH21 ARG 70 HH11 ARG 70 -10.909 -1.408 -8.731 574 HH22 ARG 70 HH12 ARG 70 -10.765 -1.743 -10.423 575 H SER 71 HN SER 71 -8.506 -1.765 -3.203 576 HA SER 71 HA SER 71 -9.444 -3.279 -1.704 577 HB2 SER 71 HB2 SER 71 -9.013 -5.758 -2.418 578 HB3 SER 71 HB1 SER 71 -9.921 -4.702 -3.496 579 HG SER 71 HG SER 71 -8.136 -4.461 -4.758 580 H VAL 72 HN VAL 72 -7.432 -2.208 -0.426 581 HA VAL 72 HA VAL 72 -5.836 -4.480 0.723 582 HB VAL 72 HB VAL 72 -4.236 -2.705 1.484 583 HG11 VAL 72 HG11 VAL 72 -3.122 -2.558 -0.619 584 HG12 VAL 72 HG12 VAL 72 -4.639 -2.651 -1.514 585 HG13 VAL 72 HG13 VAL 72 -4.024 -4.070 -0.664 586 HG21 VAL 72 HG21 VAL 72 -5.670 -0.906 -0.484 587 HG22 VAL 72 HG22 VAL 72 -4.392 -0.475 0.652 588 HG23 VAL 72 HG23 VAL 72 -6.008 -0.853 1.246 589 H VAL 73 HN VAL 73 -5.338 -4.189 3.058 590 HA VAL 73 HA VAL 73 -7.677 -2.987 4.502 591 HB VAL 73 HB VAL 73 -7.459 -5.503 4.531 592 HG11 VAL 73 HG11 VAL 73 -5.088 -5.008 6.346 593 HG12 VAL 73 HG12 VAL 73 -4.898 -5.392 4.635 594 HG13 VAL 73 HG13 VAL 73 -5.673 -6.547 5.718 595 HG21 VAL 73 HG21 VAL 73 -7.804 -5.660 6.980 596 HG22 VAL 73 HG22 VAL 73 -8.657 -4.277 6.293 597 HG23 VAL 73 HG23 VAL 73 -7.145 -4.035 7.167 598 H VAL 74 HN VAL 74 -7.261 -1.608 6.168 599 HA VAL 74 HA VAL 74 -4.502 -0.657 6.481 600 HB VAL 74 HB VAL 74 -7.104 0.264 7.728 601 HG11 VAL 74 HG11 VAL 74 -5.260 0.915 9.154 602 HG12 VAL 74 HG12 VAL 74 -5.748 2.334 8.225 603 HG13 VAL 74 HG13 VAL 74 -4.306 1.429 7.762 604 HG21 VAL 74 HG21 VAL 74 -5.451 1.590 5.568 605 HG22 VAL 74 HG22 VAL 74 -7.104 1.966 6.051 606 HG23 VAL 74 HG23 VAL 74 -6.756 0.466 5.193 607 H GLY 75 HN GLY 75 -3.237 -1.875 7.793 608 HA2 GLY 75 HA2 GLY 75 -4.378 -3.264 10.128 609 HA3 GLY 75 HA1 GLY 75 -2.717 -3.390 9.553 610 H GLU 76 HN GLU 76 -2.819 -3.141 12.150 611 HA GLU 76 HA GLU 76 -2.512 -0.241 12.837 612 HB2 GLU 76 HB2 GLU 76 -2.793 -0.951 15.162 613 HB3 GLU 76 HB1 GLU 76 -4.138 -1.547 14.191 614 HG2 GLU 76 HG2 GLU 76 -2.884 -3.729 13.949 615 HG3 GLU 76 HG1 GLU 76 -1.725 -3.118 15.131 616 H TYR 77 HN TYR 77 -0.518 0.506 13.403 617 HA TYR 77 HA TYR 77 1.725 -1.475 13.492 618 HB2 TYR 77 HB2 TYR 77 1.804 0.212 11.665 619 HB3 TYR 77 HB1 TYR 77 1.812 1.493 12.878 620 HD1 TYR 77 HD2 TYR 77 3.606 -1.747 12.200 621 HD2 TYR 77 HD1 TYR 77 3.909 2.350 13.465 622 HE1 TYR 77 HE2 TYR 77 6.054 -2.005 12.453 623 HE2 TYR 77 HE1 TYR 77 6.363 2.088 13.710 624 HH TYR 77 HH TYR 77 8.150 0.292 12.481 625 H ASN 78 HN ASN 78 3.212 -1.383 15.167 626 HA ASN 78 HA ASN 78 2.259 -0.419 17.706 627 HB2 ASN 78 HB2 ASN 78 3.711 -2.409 17.452 628 HB3 ASN 78 HB1 ASN 78 5.024 -1.371 16.901 629 HD21 ASN 78 HD21 ASN 78 2.792 -1.721 19.716 630 HD22 ASN 78 HD22 ASN 78 3.933 -1.214 20.866 631 H ASP 79 HN ASP 79 2.055 1.852 16.547 632 HA ASP 79 HA ASP 79 3.487 3.783 17.867 633 HB2 ASP 79 HB2 ASP 79 5.626 3.295 17.050 634 HB3 ASP 79 HB1 ASP 79 5.016 2.779 15.480 635 H ARG 80 HN ARG 80 1.951 2.744 14.915 636 HA ARG 80 HA ARG 80 0.296 5.122 14.873 637 HB2 ARG 80 HB2 ARG 80 2.569 5.780 13.782 638 HB3 ARG 80 HB1 ARG 80 2.032 4.794 12.421 639 HG2 ARG 80 HG2 ARG 80 -0.109 6.154 12.403 640 HG3 ARG 80 HG1 ARG 80 0.637 7.215 13.594 641 HD2 ARG 80 HD2 ARG 80 1.858 6.598 10.891 642 HD3 ARG 80 HD1 ARG 80 0.887 8.031 11.231 643 HE ARG 80 HE ARG 80 2.953 7.898 13.174 644 HH11 ARG 80 HH21 ARG 80 2.474 8.312 9.779 645 HH12 ARG 80 HH22 ARG 80 3.867 9.320 9.574 646 HH21 ARG 80 HH11 ARG 80 4.767 9.209 12.923 647 HH22 ARG 80 HH12 ARG 80 5.165 9.828 11.356 648 H PHE 81 HN PHE 81 0.345 4.542 11.752 649 HA PHE 81 HA PHE 81 -1.297 2.036 11.839 650 HB2 PHE 81 HB2 PHE 81 -1.948 4.647 10.441 651 HB3 PHE 81 HB1 PHE 81 -2.818 3.135 10.178 652 HD1 PHE 81 HD2 PHE 81 -3.899 1.984 12.180 653 HD2 PHE 81 HD1 PHE 81 -2.454 6.028 12.305 654 HE1 PHE 81 HE2 PHE 81 -5.285 2.416 14.190 655 HE2 PHE 81 HE1 PHE 81 -3.840 6.460 14.316 656 HZ PHE 81 HZ PHE 81 -5.256 4.654 15.258 657 H GLN 82 HN GLN 82 -1.287 0.835 9.875 658 HA GLN 82 HA GLN 82 0.550 1.735 7.718 659 HB2 GLN 82 HB2 GLN 82 1.739 -0.440 7.766 660 HB3 GLN 82 HB1 GLN 82 1.976 0.461 9.263 661 HG2 GLN 82 HG2 GLN 82 0.152 -0.855 10.321 662 HG3 GLN 82 HG1 GLN 82 -0.014 -1.790 8.835 663 HE21 GLN 82 HE21 GLN 82 2.825 -1.963 8.211 664 HE22 GLN 82 HE22 GLN 82 3.538 -2.973 9.375 665 H VAL 83 HN VAL 83 0.340 0.318 5.781 666 HA VAL 83 HA VAL 83 -2.402 -0.876 5.610 667 HB VAL 83 HB VAL 83 -2.006 -0.514 3.089 668 HG11 VAL 83 HG11 VAL 83 -3.567 0.858 4.358 669 HG12 VAL 83 HG12 VAL 83 -2.634 1.908 3.292 670 HG13 VAL 83 HG13 VAL 83 -2.243 1.823 5.010 671 HG21 VAL 83 HG21 VAL 83 -0.310 0.995 2.414 672 HG22 VAL 83 HG22 VAL 83 0.507 -0.071 3.554 673 HG23 VAL 83 HG23 VAL 83 -0.007 1.535 4.066 674 H GLN 84 HN GLN 84 -2.582 -2.988 5.130 675 HA GLN 84 HA GLN 84 -0.065 -4.510 4.576 676 HB2 GLN 84 HB2 GLN 84 -2.722 -5.350 5.769 677 HB3 GLN 84 HB1 GLN 84 -1.388 -6.456 5.431 678 HG2 GLN 84 HG2 GLN 84 0.081 -5.169 6.920 679 HG3 GLN 84 HG1 GLN 84 -1.224 -4.028 7.239 680 HE21 GLN 84 HE21 GLN 84 -0.617 -4.933 9.559 681 HE22 GLN 84 HE22 GLN 84 -1.515 -6.275 10.079 682 H VAL 85 HN VAL 85 0.141 -5.594 2.689 683 HA VAL 85 HA VAL 85 -2.159 -5.555 0.788 684 HB VAL 85 HB VAL 85 0.797 -6.097 0.373 685 HG11 VAL 85 HG11 VAL 85 -0.361 -7.366 -1.271 686 HG12 VAL 85 HG12 VAL 85 0.090 -5.865 -2.077 687 HG13 VAL 85 HG13 VAL 85 -1.563 -6.098 -1.509 688 HG21 VAL 85 HG21 VAL 85 0.147 -3.734 0.886 689 HG22 VAL 85 HG22 VAL 85 -0.931 -3.768 -0.508 690 HG23 VAL 85 HG23 VAL 85 0.810 -3.932 -0.736 691 H ASN 86 HN ASN 86 -3.210 -7.423 0.337 692 HA ASN 86 HA ASN 86 -1.850 -10.031 0.783 693 HB2 ASN 86 HB2 ASN 86 -4.636 -9.567 1.854 694 HB3 ASN 86 HB1 ASN 86 -3.517 -10.878 2.226 695 HD21 ASN 86 HD21 ASN 86 -4.434 -7.607 3.043 696 HD22 ASN 86 HD22 ASN 86 -3.317 -7.399 4.304 697 H LYS 87 HN LYS 87 -3.492 -11.821 0.067 698 HA LYS 87 HA LYS 87 -3.919 -11.780 -2.639 699 HB2 LYS 87 HB2 LYS 87 -4.294 -13.726 -1.079 700 HB3 LYS 87 HB1 LYS 87 -5.874 -13.041 -0.702 701 HG2 LYS 87 HG2 LYS 87 -6.559 -13.207 -3.028 702 HG3 LYS 87 HG1 LYS 87 -4.948 -13.745 -3.500 703 HD2 LYS 87 HD2 LYS 87 -5.217 -15.758 -2.098 704 HD3 LYS 87 HD1 LYS 87 -6.833 -15.218 -1.640 705 HE2 LYS 87 HE2 LYS 87 -7.000 -16.838 -3.466 706 HE3 LYS 87 HE1 LYS 87 -7.494 -15.245 -4.037 707 HZ1 LYS 87 HZ1 LYS 87 -4.674 -15.972 -4.292 708 HZ2 LYS 87 HZ2 LYS 87 -5.643 -15.014 -5.306 709 HZ3 LYS 87 HZ3 LYS 87 -5.772 -16.707 -5.355 710 H ASN 88 HN ASN 88 -5.864 -11.523 -3.958 711 HA ASN 88 HA ASN 88 -7.822 -10.445 -4.654 712 HB2 ASN 88 HB2 ASN 88 -8.464 -10.900 -2.102 713 HB3 ASN 88 HB1 ASN 88 -8.227 -9.161 -1.958 714 HD21 ASN 88 HD21 ASN 88 -9.774 -7.764 -2.946 715 HD22 ASN 88 HD22 ASN 88 -11.188 -8.334 -3.691 716 H SER 89 HN SER 89 -5.319 -8.887 -2.826 717 HA SER 89 HA SER 89 -5.963 -6.178 -3.611 718 HB2 SER 89 HB2 SER 89 -3.779 -5.618 -2.715 719 HB3 SER 89 HB1 SER 89 -4.544 -6.782 -1.637 720 HG SER 89 HG SER 89 -3.353 -8.416 -2.797 721 H SER 90 HN SER 90 -4.800 -4.892 -5.160 722 HA SER 90 HA SER 90 -3.340 -6.446 -7.276 723 HB2 SER 90 HB2 SER 90 -5.515 -4.374 -7.687 724 HB3 SER 90 HB1 SER 90 -4.497 -5.019 -8.971 725 HG SER 90 HG SER 90 -6.300 -6.430 -7.290 726 H ILE 91 HN ILE 91 -1.754 -5.243 -8.395 727 HA ILE 91 HA ILE 91 -1.115 -2.530 -7.288 728 HB ILE 91 HB ILE 91 0.817 -4.801 -7.858 729 HG12 ILE 91 HG12 ILE 91 0.217 -3.366 -5.260 730 HG13 ILE 91 HG11 ILE 91 -0.536 -4.892 -5.715 731 HG21 ILE 91 HG21 ILE 91 2.471 -3.130 -6.877 732 HG22 ILE 91 HG22 ILE 91 1.220 -1.903 -7.079 733 HG23 ILE 91 HG23 ILE 91 1.872 -2.740 -8.489 734 HD11 ILE 91 HD11 ILE 91 2.441 -4.400 -5.416 735 HD12 ILE 91 HD12 ILE 91 1.709 -5.922 -5.921 736 HD13 ILE 91 HD13 ILE 91 1.424 -5.304 -4.295 737 H GLU 92 HN GLU 92 -0.779 -1.042 -8.868 738 HA GLU 92 HA GLU 92 -0.140 -2.028 -11.634 739 HB2 GLU 92 HB2 GLU 92 -2.527 -1.300 -11.399 740 HB3 GLU 92 HB1 GLU 92 -1.953 0.301 -10.930 741 HG2 GLU 92 HG2 GLU 92 -2.445 0.336 -13.302 742 HG3 GLU 92 HG1 GLU 92 -0.695 0.410 -13.105 743 H LYS 93 HN LYS 93 1.599 -1.070 -12.520 744 HA LYS 93 HA LYS 93 3.086 0.907 -10.970 745 HB2 LYS 93 HB2 LYS 93 4.203 -0.936 -12.203 746 HB3 LYS 93 HB1 LYS 93 3.644 -0.235 -13.722 747 HG2 LYS 93 HG2 LYS 93 4.892 1.823 -13.263 748 HG3 LYS 93 HG1 LYS 93 5.406 1.184 -11.702 749 HD2 LYS 93 HD2 LYS 93 6.567 -0.671 -12.847 750 HD3 LYS 93 HD1 LYS 93 6.064 -0.018 -14.407 751 HE2 LYS 93 HE2 LYS 93 8.347 0.708 -13.925 752 HE3 LYS 93 HE1 LYS 93 7.264 2.099 -13.868 753 HZ1 LYS 93 HZ1 LYS 93 8.862 0.975 -11.799 754 HZ2 LYS 93 HZ2 LYS 93 7.231 1.064 -11.330 755 HZ3 LYS 93 HZ3 LYS 93 8.049 2.464 -11.841 756 H LEU 94 HN LEU 94 3.096 3.073 -11.285 757 HA LEU 94 HA LEU 94 1.436 4.172 -13.496 758 HB2 LEU 94 HB2 LEU 94 2.452 5.237 -10.870 759 HB3 LEU 94 HB1 LEU 94 1.911 6.356 -12.118 760 HG LEU 94 HG LEU 94 0.123 5.683 -10.457 761 HD11 LEU 94 HD11 LEU 94 -0.188 6.296 -13.047 762 HD12 LEU 94 HD12 LEU 94 -1.548 5.795 -12.047 763 HD13 LEU 94 HD13 LEU 94 -0.778 4.634 -13.121 764 HD21 LEU 94 HD21 LEU 94 1.008 3.275 -10.378 765 HD22 LEU 94 HD22 LEU 94 0.157 3.028 -11.902 766 HD23 LEU 94 HD23 LEU 94 -0.743 3.466 -10.454 767 H SER 95 HN SER 95 2.269 5.331 -15.134 768 HA SER 95 HA SER 95 5.185 5.382 -15.468 769 HB2 SER 95 HB2 SER 95 2.917 6.300 -17.258 770 HB3 SER 95 HB1 SER 95 4.616 6.297 -17.720 771 HG SER 95 HG SER 95 4.633 4.123 -17.682 772 H GLU 96 HN GLU 96 2.963 7.373 -13.988 773 HA GLU 96 HA GLU 96 4.571 9.849 -14.554 774 HB2 GLU 96 HB2 GLU 96 2.131 9.865 -15.240 775 HB3 GLU 96 HB1 GLU 96 1.727 9.740 -13.526 776 HG2 GLU 96 HG2 GLU 96 1.706 12.077 -14.024 777 HG3 GLU 96 HG1 GLU 96 3.222 11.784 -13.171 778 HA PRO 97 HA PRO 97 5.592 8.615 -10.198 779 HB2 PRO 97 HB2 PRO 97 7.694 10.677 -10.716 780 HB3 PRO 97 HB1 PRO 97 7.859 9.043 -10.042 781 HG2 PRO 97 HG2 PRO 97 8.622 9.618 -12.542 782 HG3 PRO 97 HG1 PRO 97 7.911 8.050 -12.119 783 HD2 PRO 97 HD2 PRO 97 6.663 10.352 -13.573 784 HD3 PRO 97 HD1 PRO 97 6.399 8.608 -13.780 785 H ILE 98 HN ILE 98 5.227 9.721 -8.249 786 HA ILE 98 HA ILE 98 3.902 12.368 -8.523 787 HB ILE 98 HB ILE 98 4.014 10.390 -6.226 788 HG12 ILE 98 HG12 ILE 98 1.693 11.167 -8.012 789 HG13 ILE 98 HG11 ILE 98 2.719 9.767 -8.322 790 HG21 ILE 98 HG21 ILE 98 2.691 13.087 -6.559 791 HG22 ILE 98 HG22 ILE 98 3.703 12.521 -5.229 792 HG23 ILE 98 HG23 ILE 98 2.068 11.890 -5.422 793 HD11 ILE 98 HD11 ILE 98 2.098 8.749 -6.232 794 HD12 ILE 98 HD12 ILE 98 0.606 9.257 -7.025 795 HD13 ILE 98 HD13 ILE 98 1.271 10.213 -5.701 796 H GLU 99 HN GLU 99 4.878 14.193 -7.844 797 HA GLU 99 HA GLU 99 7.540 14.010 -6.576 798 HB2 GLU 99 HB2 GLU 99 5.945 16.346 -7.668 799 HB3 GLU 99 HB1 GLU 99 7.567 16.481 -6.991 800 HG2 GLU 99 HG2 GLU 99 6.833 14.691 -9.325 801 HG3 GLU 99 HG1 GLU 99 7.564 16.287 -9.488 802 H VAL 100 HN VAL 100 7.807 14.232 -4.435 803 HA VAL 100 HA VAL 100 5.544 15.287 -2.794 804 HB VAL 100 HB VAL 100 6.765 14.197 -0.904 805 HG11 VAL 100 HG11 VAL 100 6.399 12.271 -3.212 806 HG12 VAL 100 HG12 VAL 100 5.039 13.023 -2.380 807 HG13 VAL 100 HG13 VAL 100 6.136 11.961 -1.496 808 HG21 VAL 100 HG21 VAL 100 8.582 13.196 -3.122 809 HG22 VAL 100 HG22 VAL 100 8.660 12.714 -1.427 810 HG23 VAL 100 HG23 VAL 100 9.042 14.372 -1.890 811 H GLY 101 HN GLY 101 8.361 16.340 -4.200 812 HA2 GLY 101 HA2 GLY 101 8.415 18.851 -2.950 813 HA3 GLY 101 HA1 GLY 101 9.565 17.849 -2.063 814 H LEU 102 HN LEU 102 9.352 19.995 -4.550 815 HA LEU 102 HA LEU 102 11.353 18.727 -6.318 816 HB2 LEU 102 HB2 LEU 102 10.113 21.498 -6.413 817 HB3 LEU 102 HB1 LEU 102 11.062 20.737 -7.691 818 HG LEU 102 HG LEU 102 8.432 19.686 -6.605 819 HD11 LEU 102 HD11 LEU 102 8.047 21.696 -7.896 820 HD12 LEU 102 HD12 LEU 102 7.597 20.312 -8.893 821 HD13 LEU 102 HD13 LEU 102 9.129 21.139 -9.172 822 HD21 LEU 102 HD21 LEU 102 10.418 18.667 -8.632 823 HD22 LEU 102 HD22 LEU 102 8.703 18.314 -8.847 824 HD23 LEU 102 HD23 LEU 102 9.535 17.777 -7.391 825 H GLU 103 HN GLU 103 11.380 20.442 -3.450 826 HA GLU 103 HA GLU 103 13.739 22.086 -3.999 827 HB2 GLU 103 HB2 GLU 103 12.248 21.404 -1.451 828 HB3 GLU 103 HB1 GLU 103 13.649 22.476 -1.505 829 HG2 GLU 103 HG2 GLU 103 12.492 23.965 -3.064 830 HG3 GLU 103 HG1 GLU 103 11.104 22.878 -3.106 831 H HIS 104 HN HIS 104 15.594 20.994 -4.368 832 HA HIS 104 HA HIS 104 16.835 19.485 -2.256 833 HB2 HIS 104 HB2 HIS 104 15.338 17.705 -3.043 834 HB3 HIS 104 HB1 HIS 104 15.907 17.936 -4.696 835 HD1 HIS 104 HD1 HIS 104 17.650 16.281 -5.335 836 HD2 HIS 104 HD2 HIS 104 17.813 17.158 -1.263 837 HE1 HIS 104 HE1 HIS 104 19.533 14.886 -4.377 838 H HIS 105 HN HIS 105 18.136 21.442 -3.023 839 HA HIS 105 HA HIS 105 20.262 20.484 -4.798 840 HB2 HIS 105 HB2 HIS 105 18.584 21.462 -6.376 841 HB3 HIS 105 HB1 HIS 105 18.743 23.003 -5.534 842 HD1 HIS 105 HD1 HIS 105 20.876 24.377 -5.938 843 HD2 HIS 105 HD2 HIS 105 20.928 20.681 -7.867 844 HE1 HIS 105 HE1 HIS 105 22.864 24.415 -7.507 845 H HIS 106 HN HIS 106 22.185 21.337 -4.164 846 HA HIS 106 HA HIS 106 23.659 22.424 -2.685 847 HB2 HIS 106 HB2 HIS 106 23.395 24.064 -4.508 848 HB3 HIS 106 HB1 HIS 106 22.012 24.770 -3.674 849 HD1 HIS 106 HD1 HIS 106 22.485 26.168 -1.528 850 HD2 HIS 106 HD2 HIS 106 25.925 24.652 -3.330 851 HE1 HIS 106 HE1 HIS 106 24.445 27.342 -0.434 852 H HIS 107 HN HIS 107 21.653 25.075 -1.955 853 HA HIS 107 HA HIS 107 20.899 25.847 0.125 854 HB2 HIS 107 HB2 HIS 107 19.011 24.421 -0.645 855 HB3 HIS 107 HB1 HIS 107 19.725 23.052 0.207 856 HD1 HIS 107 HD1 HIS 107 18.608 26.617 1.001 857 HD2 HIS 107 HD2 HIS 107 18.885 22.882 2.834 858 HE1 HIS 107 HE1 HIS 107 17.597 26.875 3.309 859 H HIS 108 HN HIS 108 23.109 25.867 1.000 860 HA HIS 108 HA HIS 108 23.899 23.572 2.690 861 HB2 HIS 108 HB2 HIS 108 25.623 24.731 1.368 862 HB3 HIS 108 HB1 HIS 108 25.254 26.242 2.200 863 HD1 HIS 108 HD1 HIS 108 26.402 22.704 3.037 864 HD2 HIS 108 HD2 HIS 108 26.658 26.575 4.565 865 HE1 HIS 108 HE1 HIS 108 27.929 22.579 5.054 866 H HIS 109 HN HIS 109 23.471 23.474 4.822 867 HA HIS 109 HA HIS 109 21.888 25.487 6.137 868 HB2 HIS 109 HB2 HIS 109 22.034 24.056 8.081 869 HB3 HIS 109 HB1 HIS 109 21.863 23.024 6.662 870 HD1 HIS 109 HD1 HIS 109 24.123 21.892 5.759 871 HD2 HIS 109 HD2 HIS 109 24.388 23.649 9.531 872 HE1 HIS 109 HE1 HIS 109 26.230 20.978 6.830 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -11.347 1.986 -11.644 2 H2 MET 1 HT2 MET 1 -9.934 2.711 -12.251 3 H3 MET 1 HT3 MET 1 -10.834 1.652 -13.227 4 HA MET 1 HA MET 1 -11.058 4.172 -13.592 5 HB2 MET 1 HB2 MET 1 -13.646 3.750 -13.891 6 HB3 MET 1 HB1 MET 1 -12.492 2.847 -14.873 7 HG2 MET 1 HG2 MET 1 -12.611 0.949 -13.345 8 HG3 MET 1 HG1 MET 1 -13.684 1.847 -12.272 9 HE1 MET 1 HE1 MET 1 -15.902 -0.935 -13.875 10 HE2 MET 1 HE2 MET 1 -15.537 -0.098 -12.368 11 HE3 MET 1 HE3 MET 1 -14.251 -0.928 -13.239 12 H GLU 2 HN GLU 2 -10.956 5.802 -12.169 13 HA GLU 2 HA GLU 2 -11.468 7.187 -10.349 14 HB2 GLU 2 HB2 GLU 2 -14.273 6.087 -10.649 15 HB3 GLU 2 HB1 GLU 2 -13.793 7.680 -10.067 16 HG2 GLU 2 HG2 GLU 2 -13.477 6.616 -12.889 17 HG3 GLU 2 HG1 GLU 2 -14.573 7.891 -12.362 18 HA PRO 3 HA PRO 3 -11.700 3.408 -7.517 19 HB2 PRO 3 HB2 PRO 3 -9.108 3.481 -6.611 20 HB3 PRO 3 HB1 PRO 3 -9.612 2.572 -8.053 21 HG2 PRO 3 HG2 PRO 3 -8.328 5.265 -7.873 22 HG3 PRO 3 HG1 PRO 3 -7.995 3.933 -8.994 23 HD2 PRO 3 HD2 PRO 3 -9.509 6.086 -9.712 24 HD3 PRO 3 HD1 PRO 3 -9.798 4.460 -10.375 25 H GLN 4 HN GLN 4 -11.895 3.545 -5.246 26 HA GLN 4 HA GLN 4 -12.226 6.238 -4.202 27 HB2 GLN 4 HB2 GLN 4 -12.410 3.538 -2.838 28 HB3 GLN 4 HB1 GLN 4 -12.925 5.069 -2.129 29 HG2 GLN 4 HG2 GLN 4 -14.921 4.183 -3.034 30 HG3 GLN 4 HG1 GLN 4 -14.387 5.329 -4.263 31 HE21 GLN 4 HE21 GLN 4 -14.769 1.892 -3.535 32 HE22 GLN 4 HE22 GLN 4 -14.430 1.339 -5.104 33 H LEU 5 HN LEU 5 -10.145 7.138 -4.230 34 HA LEU 5 HA LEU 5 -7.896 5.877 -2.873 35 HB2 LEU 5 HB2 LEU 5 -8.265 8.760 -3.733 36 HB3 LEU 5 HB1 LEU 5 -6.735 7.986 -3.317 37 HG LEU 5 HG LEU 5 -8.549 7.177 -5.610 38 HD11 LEU 5 HD11 LEU 5 -6.722 8.055 -7.030 39 HD12 LEU 5 HD12 LEU 5 -5.863 8.588 -5.584 40 HD13 LEU 5 HD13 LEU 5 -7.410 9.321 -6.012 41 HD21 LEU 5 HD21 LEU 5 -6.322 5.890 -6.190 42 HD22 LEU 5 HD22 LEU 5 -7.436 5.198 -5.015 43 HD23 LEU 5 HD23 LEU 5 -5.995 6.053 -4.464 44 H THR 6 HN THR 6 -7.059 6.408 -0.860 45 HA THR 6 HA THR 6 -8.773 8.145 0.887 46 HB THR 6 HB THR 6 -7.379 5.568 1.651 47 HG1 THR 6 HG1 THR 6 -9.181 4.997 0.592 48 HG21 THR 6 HG21 THR 6 -8.807 5.962 3.751 49 HG22 THR 6 HG22 THR 6 -8.986 7.620 3.177 50 HG23 THR 6 HG23 THR 6 -7.384 6.985 3.554 51 H LYS 7 HN LYS 7 -7.707 9.673 1.965 52 HA LYS 7 HA LYS 7 -4.871 10.079 1.489 53 HB2 LYS 7 HB2 LYS 7 -6.883 11.539 3.217 54 HB3 LYS 7 HB1 LYS 7 -5.219 12.073 2.976 55 HG2 LYS 7 HG2 LYS 7 -5.596 12.203 0.550 56 HG3 LYS 7 HG1 LYS 7 -7.254 11.646 0.771 57 HD2 LYS 7 HD2 LYS 7 -7.713 13.633 2.191 58 HD3 LYS 7 HD1 LYS 7 -6.069 14.202 1.896 59 HE2 LYS 7 HE2 LYS 7 -8.074 13.642 -0.305 60 HE3 LYS 7 HE1 LYS 7 -7.792 15.241 0.380 61 HZ1 LYS 7 HZ1 LYS 7 -6.391 15.173 -1.447 62 HZ2 LYS 7 HZ2 LYS 7 -5.951 13.552 -1.191 63 HZ3 LYS 7 HZ3 LYS 7 -5.352 14.770 -0.168 64 H ILE 8 HN ILE 8 -3.217 10.072 3.030 65 HA ILE 8 HA ILE 8 -3.271 7.984 4.973 66 HB ILE 8 HB ILE 8 -1.394 10.332 4.608 67 HG12 ILE 8 HG12 ILE 8 -1.013 7.409 3.906 68 HG13 ILE 8 HG11 ILE 8 -1.625 8.599 2.760 69 HG21 ILE 8 HG21 ILE 8 0.187 8.797 5.928 70 HG22 ILE 8 HG22 ILE 8 -1.260 7.918 6.422 71 HG23 ILE 8 HG23 ILE 8 -1.070 9.616 6.856 72 HD11 ILE 8 HD11 ILE 8 0.750 8.432 2.403 73 HD12 ILE 8 HD12 ILE 8 1.078 8.598 4.128 74 HD13 ILE 8 HD13 ILE 8 0.456 9.970 3.213 75 H VAL 9 HN VAL 9 -3.515 11.498 5.274 76 HA VAL 9 HA VAL 9 -3.636 11.597 8.135 77 HB VAL 9 HB VAL 9 -3.204 13.528 6.554 78 HG11 VAL 9 HG11 VAL 9 -6.204 13.779 6.343 79 HG12 VAL 9 HG12 VAL 9 -5.298 12.848 5.151 80 HG13 VAL 9 HG13 VAL 9 -4.953 14.560 5.376 81 HG21 VAL 9 HG21 VAL 9 -3.657 13.928 8.921 82 HG22 VAL 9 HG22 VAL 9 -5.395 13.850 8.628 83 HG23 VAL 9 HG23 VAL 9 -4.443 15.172 7.950 84 H ASP 10 HN ASP 10 -6.000 10.802 5.709 85 HA ASP 10 HA ASP 10 -8.313 11.244 7.446 86 HB2 ASP 10 HB2 ASP 10 -8.443 11.384 4.959 87 HB3 ASP 10 HB1 ASP 10 -8.098 9.658 4.871 88 H ILE 11 HN ILE 11 -5.907 8.926 7.407 89 HA ILE 11 HA ILE 11 -7.634 6.635 8.082 90 HB ILE 11 HB ILE 11 -4.622 6.966 8.111 91 HG12 ILE 11 HG12 ILE 11 -6.423 5.405 6.236 92 HG13 ILE 11 HG11 ILE 11 -5.826 7.026 5.886 93 HG21 ILE 11 HG21 ILE 11 -5.205 5.250 9.709 94 HG22 ILE 11 HG22 ILE 11 -4.681 4.434 8.235 95 HG23 ILE 11 HG23 ILE 11 -6.399 4.561 8.610 96 HD11 ILE 11 HD11 ILE 11 -4.301 5.538 4.814 97 HD12 ILE 11 HD12 ILE 11 -4.222 4.486 6.226 98 HD13 ILE 11 HD13 ILE 11 -3.476 6.081 6.275 99 H VAL 12 HN VAL 12 -8.517 6.563 10.045 100 HA VAL 12 HA VAL 12 -6.844 7.001 12.438 101 HB VAL 12 HB VAL 12 -8.512 8.512 13.472 102 HG11 VAL 12 HG11 VAL 12 -7.843 10.493 12.303 103 HG12 VAL 12 HG12 VAL 12 -7.653 9.612 10.788 104 HG13 VAL 12 HG13 VAL 12 -6.523 9.337 12.113 105 HG21 VAL 12 HG21 VAL 12 -10.145 9.602 11.773 106 HG22 VAL 12 HG22 VAL 12 -10.553 7.999 12.383 107 HG23 VAL 12 HG23 VAL 12 -9.844 8.176 10.779 108 H GLU 13 HN GLU 13 -8.581 4.966 10.828 109 HA GLU 13 HA GLU 13 -10.003 3.855 13.227 110 HB2 GLU 13 HB2 GLU 13 -10.903 3.800 10.330 111 HB3 GLU 13 HB1 GLU 13 -11.688 2.918 11.641 112 HG2 GLU 13 HG2 GLU 13 -11.318 5.928 11.572 113 HG3 GLU 13 HG1 GLU 13 -12.811 5.094 11.145 114 H ASN 14 HN ASN 14 -9.469 1.781 13.692 115 HA ASN 14 HA ASN 14 -7.326 0.502 12.234 116 HB2 ASN 14 HB2 ASN 14 -9.105 -0.379 14.515 117 HB3 ASN 14 HB1 ASN 14 -7.799 -1.367 13.875 118 HD21 ASN 14 HD21 ASN 14 -6.045 1.029 13.353 119 HD22 ASN 14 HD22 ASN 14 -5.505 1.526 14.881 120 H GLY 15 HN GLY 15 -7.425 -1.245 10.866 121 HA2 GLY 15 HA2 GLY 15 -8.356 -2.709 9.306 122 HA3 GLY 15 HA1 GLY 15 -9.618 -3.001 10.500 123 H GLN 16 HN GLN 16 -8.988 -1.766 7.456 124 HA GLN 16 HA GLN 16 -11.748 -1.007 7.049 125 HB2 GLN 16 HB2 GLN 16 -11.011 1.051 8.175 126 HB3 GLN 16 HB1 GLN 16 -9.687 1.218 7.021 127 HG2 GLN 16 HG2 GLN 16 -11.239 1.495 5.181 128 HG3 GLN 16 HG1 GLN 16 -12.610 1.114 6.222 129 HE21 GLN 16 HE21 GLN 16 -10.119 3.589 5.583 130 HE22 GLN 16 HE22 GLN 16 -10.933 4.843 6.385 131 H TRP 17 HN TRP 17 -12.206 -1.289 4.921 132 HA TRP 17 HA TRP 17 -9.974 -1.962 3.116 133 HB2 TRP 17 HB2 TRP 17 -12.956 -2.054 2.593 134 HB3 TRP 17 HB1 TRP 17 -11.692 -2.832 1.638 135 HD1 TRP 17 HD1 TRP 17 -13.577 -3.120 4.936 136 HE1 TRP 17 HE1 TRP 17 -13.074 -5.419 5.990 137 HE3 TRP 17 HE3 TRP 17 -9.916 -4.765 1.774 138 HZ2 TRP 17 HZ2 TRP 17 -11.346 -7.657 5.553 139 HZ3 TRP 17 HZ3 TRP 17 -8.861 -6.981 2.115 140 HH2 TRP 17 HH2 TRP 17 -9.572 -8.429 3.999 141 H ALA 18 HN ALA 18 -9.331 -0.748 1.408 142 HA ALA 18 HA ALA 18 -10.889 1.255 0.092 143 HB1 ALA 18 HB1 ALA 18 -9.153 2.185 2.374 144 HB2 ALA 18 HB2 ALA 18 -10.813 2.643 1.998 145 HB3 ALA 18 HB3 ALA 18 -9.485 3.241 1.003 146 H ASN 19 HN ASN 19 -9.327 2.768 -1.215 147 HA ASN 19 HA ASN 19 -7.020 1.083 -2.130 148 HB2 ASN 19 HB2 ASN 19 -8.641 3.207 -3.557 149 HB3 ASN 19 HB1 ASN 19 -7.242 2.386 -4.251 150 HD21 ASN 19 HD21 ASN 19 -9.557 1.983 -5.651 151 HD22 ASN 19 HD22 ASN 19 -10.189 0.436 -5.358 152 H LEU 20 HN LEU 20 -4.987 2.013 -2.373 153 HA LEU 20 HA LEU 20 -4.674 4.855 -1.491 154 HB2 LEU 20 HB2 LEU 20 -4.167 3.383 0.417 155 HB3 LEU 20 HB1 LEU 20 -3.003 2.500 -0.571 156 HG LEU 20 HG LEU 20 -1.678 4.574 -0.859 157 HD11 LEU 20 HD11 LEU 20 -3.992 5.734 0.675 158 HD12 LEU 20 HD12 LEU 20 -3.135 6.391 -0.720 159 HD13 LEU 20 HD13 LEU 20 -2.390 6.449 0.874 160 HD21 LEU 20 HD21 LEU 20 -0.853 4.730 1.445 161 HD22 LEU 20 HD22 LEU 20 -1.194 3.052 1.026 162 HD23 LEU 20 HD23 LEU 20 -2.322 3.955 2.039 163 H LYS 21 HN LYS 21 -3.263 6.009 -2.680 164 HA LYS 21 HA LYS 21 -1.566 4.570 -4.697 165 HB2 LYS 21 HB2 LYS 21 -3.455 5.855 -5.669 166 HB3 LYS 21 HB1 LYS 21 -2.822 7.316 -4.915 167 HG2 LYS 21 HG2 LYS 21 -0.690 7.016 -6.162 168 HG3 LYS 21 HG1 LYS 21 -1.373 5.595 -6.951 169 HD2 LYS 21 HD2 LYS 21 -2.721 8.296 -7.074 170 HD3 LYS 21 HD1 LYS 21 -1.494 7.815 -8.245 171 HE2 LYS 21 HE2 LYS 21 -2.909 5.724 -8.667 172 HE3 LYS 21 HE1 LYS 21 -4.181 6.515 -7.736 173 HZ1 LYS 21 HZ1 LYS 21 -2.875 7.621 -10.155 174 HZ2 LYS 21 HZ2 LYS 21 -4.107 8.371 -9.257 175 HZ3 LYS 21 HZ3 LYS 21 -4.420 6.927 -10.094 176 H ALA 22 HN ALA 22 0.585 4.975 -4.555 177 HA ALA 22 HA ALA 22 1.643 7.541 -3.717 178 HB1 ALA 22 HB1 ALA 22 1.810 5.235 -1.765 179 HB2 ALA 22 HB2 ALA 22 1.060 6.805 -1.486 180 HB3 ALA 22 HB3 ALA 22 2.811 6.684 -1.669 181 H LYS 23 HN LYS 23 4.154 6.983 -3.011 182 HA LYS 23 HA LYS 23 5.199 5.076 -5.083 183 HB2 LYS 23 HB2 LYS 23 7.020 6.640 -5.511 184 HB3 LYS 23 HB1 LYS 23 5.476 7.453 -5.770 185 HG2 LYS 23 HG2 LYS 23 5.619 8.349 -3.427 186 HG3 LYS 23 HG1 LYS 23 7.236 7.656 -3.303 187 HD2 LYS 23 HD2 LYS 23 6.420 9.614 -5.464 188 HD3 LYS 23 HD1 LYS 23 7.189 10.102 -3.955 189 HE2 LYS 23 HE2 LYS 23 9.039 8.402 -4.562 190 HE3 LYS 23 HE1 LYS 23 8.335 8.407 -6.179 191 HZ1 LYS 23 HZ1 LYS 23 8.493 10.976 -5.847 192 HZ2 LYS 23 HZ2 LYS 23 9.836 10.080 -6.373 193 HZ3 LYS 23 HZ3 LYS 23 9.712 10.554 -4.747 194 H VAL 24 HN VAL 24 7.213 4.083 -4.589 195 HA VAL 24 HA VAL 24 7.552 3.652 -1.685 196 HB VAL 24 HB VAL 24 8.894 2.379 -4.080 197 HG11 VAL 24 HG11 VAL 24 9.486 0.634 -2.285 198 HG12 VAL 24 HG12 VAL 24 9.095 1.885 -1.103 199 HG13 VAL 24 HG13 VAL 24 10.404 2.138 -2.256 200 HG21 VAL 24 HG21 VAL 24 6.831 1.252 -2.170 201 HG22 VAL 24 HG22 VAL 24 7.401 0.536 -3.676 202 HG23 VAL 24 HG23 VAL 24 6.409 1.994 -3.713 203 H ILE 25 HN ILE 25 9.115 4.570 -0.496 204 HA ILE 25 HA ILE 25 11.202 6.199 -1.870 205 HB ILE 25 HB ILE 25 10.222 6.162 0.993 206 HG12 ILE 25 HG12 ILE 25 9.998 8.343 -1.097 207 HG13 ILE 25 HG11 ILE 25 8.725 7.158 -0.804 208 HG21 ILE 25 HG21 ILE 25 11.637 8.338 1.035 209 HG22 ILE 25 HG22 ILE 25 12.434 7.680 -0.395 210 HG23 ILE 25 HG23 ILE 25 12.491 6.801 1.132 211 HD11 ILE 25 HD11 ILE 25 8.244 7.995 1.320 212 HD12 ILE 25 HD12 ILE 25 8.666 9.470 0.455 213 HD13 ILE 25 HD13 ILE 25 9.845 8.708 1.519 214 H GLN 26 HN GLN 26 10.913 4.013 0.964 215 HA GLN 26 HA GLN 26 13.523 2.800 0.197 216 HB2 GLN 26 HB2 GLN 26 12.929 4.207 2.798 217 HB3 GLN 26 HB1 GLN 26 14.110 2.900 2.741 218 HG2 GLN 26 HG2 GLN 26 14.206 5.271 0.865 219 HG3 GLN 26 HG1 GLN 26 15.059 5.243 2.409 220 HE21 GLN 26 HE21 GLN 26 16.005 5.090 -0.562 221 HE22 GLN 26 HE22 GLN 26 17.062 3.762 -0.563 222 H LEU 27 HN LEU 27 13.631 0.665 0.640 223 HA LEU 27 HA LEU 27 11.637 -0.575 2.445 224 HB2 LEU 27 HB2 LEU 27 10.869 -2.162 0.813 225 HB3 LEU 27 HB1 LEU 27 10.685 -0.559 0.111 226 HG LEU 27 HG LEU 27 12.948 -2.509 -0.449 227 HD11 LEU 27 HD11 LEU 27 10.821 -3.101 -1.517 228 HD12 LEU 27 HD12 LEU 27 11.972 -2.523 -2.721 229 HD13 LEU 27 HD13 LEU 27 10.676 -1.467 -2.163 230 HD21 LEU 27 HD21 LEU 27 12.488 0.379 -1.212 231 HD22 LEU 27 HD22 LEU 27 13.375 -0.691 -2.299 232 HD23 LEU 27 HD23 LEU 27 13.975 -0.403 -0.668 233 H TRP 28 HN TRP 28 12.385 -2.358 3.478 234 HA TRP 28 HA TRP 28 15.175 -3.243 2.818 235 HB2 TRP 28 HB2 TRP 28 13.656 -3.199 5.437 236 HB3 TRP 28 HB1 TRP 28 15.223 -3.982 5.227 237 HD1 TRP 28 HD1 TRP 28 16.974 -2.088 3.754 238 HE1 TRP 28 HE1 TRP 28 17.534 0.287 4.587 239 HE3 TRP 28 HE3 TRP 28 13.039 -1.308 6.917 240 HZ2 TRP 28 HZ2 TRP 28 16.456 2.257 6.357 241 HZ3 TRP 28 HZ3 TRP 28 12.831 0.825 8.162 242 HH2 TRP 28 HH2 TRP 28 14.532 2.608 7.887 243 H GLU 29 HN GLU 29 15.536 -5.418 2.518 244 HA GLU 29 HA GLU 29 13.214 -7.097 1.979 245 HB2 GLU 29 HB2 GLU 29 16.191 -7.610 1.840 246 HB3 GLU 29 HB1 GLU 29 14.981 -8.818 1.405 247 HG2 GLU 29 HG2 GLU 29 14.060 -7.328 -0.304 248 HG3 GLU 29 HG1 GLU 29 15.190 -6.057 0.160 249 H ASN 30 HN ASN 30 12.195 -8.255 3.483 250 HA ASN 30 HA ASN 30 13.647 -9.057 5.973 251 HB2 ASN 30 HB2 ASN 30 11.630 -7.644 6.264 252 HB3 ASN 30 HB1 ASN 30 10.678 -8.851 5.401 253 HD21 ASN 30 HD21 ASN 30 9.688 -8.505 7.839 254 HD22 ASN 30 HD22 ASN 30 10.183 -9.704 8.933 255 H THR 31 HN THR 31 11.386 -10.231 3.484 256 HA THR 31 HA THR 31 10.671 -12.438 3.005 257 HB THR 31 HB THR 31 12.381 -13.579 1.920 258 HG1 THR 31 HG1 THR 31 13.901 -12.870 4.177 259 HG21 THR 31 HG21 THR 31 12.419 -11.041 1.466 260 HG22 THR 31 HG22 THR 31 13.831 -11.969 0.959 261 HG23 THR 31 HG23 THR 31 13.889 -11.016 2.441 262 H HIS 32 HN HIS 32 10.121 -12.140 5.572 263 HA HIS 32 HA HIS 32 11.505 -14.101 7.255 264 HB2 HIS 32 HB2 HIS 32 10.356 -11.862 7.984 265 HB3 HIS 32 HB1 HIS 32 8.873 -12.811 7.964 266 HD1 HIS 32 HD1 HIS 32 12.387 -13.145 9.416 267 HD2 HIS 32 HD2 HIS 32 8.443 -14.105 10.359 268 HE1 HIS 32 HE1 HIS 32 12.440 -14.214 11.711 269 H GLU 33 HN GLU 33 9.075 -14.919 8.641 270 HA GLU 33 HA GLU 33 8.502 -17.350 7.196 271 HB2 GLU 33 HB2 GLU 33 7.208 -16.073 9.617 272 HB3 GLU 33 HB1 GLU 33 6.827 -17.695 9.038 273 HG2 GLU 33 HG2 GLU 33 9.161 -18.378 9.347 274 HG3 GLU 33 HG1 GLU 33 9.588 -16.745 9.855 275 H SER 34 HN SER 34 6.752 -14.327 7.717 276 HA SER 34 HA SER 34 4.906 -15.074 5.488 277 HB2 SER 34 HB2 SER 34 4.007 -13.750 8.057 278 HB3 SER 34 HB1 SER 34 2.985 -14.297 6.730 279 HG SER 34 HG SER 34 3.419 -15.681 8.758 280 H ILE 35 HN ILE 35 7.181 -12.981 6.603 281 HA ILE 35 HA ILE 35 5.856 -10.561 5.422 282 HB ILE 35 HB ILE 35 8.351 -10.724 7.134 283 HG12 ILE 35 HG12 ILE 35 5.568 -9.768 7.875 284 HG13 ILE 35 HG11 ILE 35 6.173 -11.379 8.262 285 HG21 ILE 35 HG21 ILE 35 8.331 -8.773 5.677 286 HG22 ILE 35 HG22 ILE 35 7.954 -8.261 7.321 287 HG23 ILE 35 HG23 ILE 35 6.664 -8.416 6.129 288 HD11 ILE 35 HD11 ILE 35 6.460 -9.785 10.152 289 HD12 ILE 35 HD12 ILE 35 7.488 -8.786 9.123 290 HD13 ILE 35 HD13 ILE 35 8.001 -10.415 9.567 291 H SER 36 HN SER 36 6.494 -9.935 3.477 292 HA SER 36 HA SER 36 8.825 -11.222 2.179 293 HB2 SER 36 HB2 SER 36 7.042 -9.213 0.823 294 HB3 SER 36 HB1 SER 36 7.815 -10.645 0.150 295 HG SER 36 HG SER 36 6.278 -11.571 1.987 296 H GLN 37 HN GLN 37 7.551 -7.890 2.082 297 HA GLN 37 HA GLN 37 10.288 -6.863 2.714 298 HB2 GLN 37 HB2 GLN 37 8.580 -6.059 0.344 299 HB3 GLN 37 HB1 GLN 37 9.999 -5.165 0.888 300 HG2 GLN 37 HG2 GLN 37 11.409 -7.123 0.538 301 HG3 GLN 37 HG1 GLN 37 10.009 -8.087 0.085 302 HE21 GLN 37 HE21 GLN 37 12.482 -7.195 -1.512 303 HE22 GLN 37 HE22 GLN 37 11.832 -6.487 -2.911 304 H VAL 38 HN VAL 38 10.286 -4.714 3.552 305 HA VAL 38 HA VAL 38 7.616 -3.557 4.219 306 HB VAL 38 HB VAL 38 8.129 -4.868 6.168 307 HG11 VAL 38 HG11 VAL 38 10.277 -4.652 7.358 308 HG12 VAL 38 HG12 VAL 38 10.856 -3.536 6.120 309 HG13 VAL 38 HG13 VAL 38 10.529 -5.219 5.707 310 HG21 VAL 38 HG21 VAL 38 8.154 -3.169 7.845 311 HG22 VAL 38 HG22 VAL 38 7.404 -2.425 6.433 312 HG23 VAL 38 HG23 VAL 38 9.087 -2.074 6.826 313 H GLY 39 HN GLY 39 7.606 -1.354 4.282 314 HA2 GLY 39 HA2 GLY 39 9.986 0.256 4.638 315 HA3 GLY 39 HA1 GLY 39 9.542 0.153 2.935 316 H LEU 40 HN LEU 40 9.104 2.451 3.009 317 HA LEU 40 HA LEU 40 6.381 3.024 4.088 318 HB2 LEU 40 HB2 LEU 40 7.004 5.084 5.035 319 HB3 LEU 40 HB1 LEU 40 8.315 4.006 5.490 320 HG LEU 40 HG LEU 40 8.394 5.916 3.117 321 HD11 LEU 40 HD11 LEU 40 9.704 6.033 5.842 322 HD12 LEU 40 HD12 LEU 40 8.463 7.125 5.227 323 HD13 LEU 40 HD13 LEU 40 10.069 7.115 4.498 324 HD21 LEU 40 HD21 LEU 40 10.371 3.948 4.299 325 HD22 LEU 40 HD22 LEU 40 10.885 5.291 3.278 326 HD23 LEU 40 HD23 LEU 40 9.812 4.049 2.628 327 H LEU 41 HN LEU 41 5.143 4.499 2.919 328 HA LEU 41 HA LEU 41 6.090 4.893 0.105 329 HB2 LEU 41 HB2 LEU 41 3.250 4.878 1.148 330 HB3 LEU 41 HB1 LEU 41 3.759 4.898 -0.538 331 HG LEU 41 HG LEU 41 4.325 2.667 1.431 332 HD11 LEU 41 HD11 LEU 41 1.954 2.778 0.794 333 HD12 LEU 41 HD12 LEU 41 2.726 1.385 0.038 334 HD13 LEU 41 HD13 LEU 41 2.404 2.837 -0.910 335 HD21 LEU 41 HD21 LEU 41 5.058 3.148 -1.461 336 HD22 LEU 41 HD22 LEU 41 4.912 1.508 -0.834 337 HD23 LEU 41 HD23 LEU 41 6.093 2.611 -0.137 338 H GLY 42 HN GLY 42 6.225 6.901 -0.683 339 HA2 GLY 42 HA2 GLY 42 5.758 9.172 1.128 340 HA3 GLY 42 HA1 GLY 42 6.552 9.240 -0.441 341 H ASP 43 HN ASP 43 4.264 10.809 0.767 342 HA ASP 43 HA ASP 43 2.590 10.746 -1.655 343 HB2 ASP 43 HB2 ASP 43 1.572 9.114 -0.004 344 HB3 ASP 43 HB1 ASP 43 1.283 10.492 1.059 345 H GLU 44 HN GLU 44 1.037 12.578 -1.642 346 HA GLU 44 HA GLU 44 2.330 15.041 -0.992 347 HB2 GLU 44 HB2 GLU 44 -0.552 14.421 -1.698 348 HB3 GLU 44 HB1 GLU 44 0.122 16.050 -1.637 349 HG2 GLU 44 HG2 GLU 44 1.192 13.818 -3.392 350 HG3 GLU 44 HG1 GLU 44 0.094 15.082 -3.948 351 H THR 45 HN THR 45 0.337 12.975 0.932 352 HA THR 45 HA THR 45 -0.312 15.191 2.822 353 HB THR 45 HB THR 45 -1.629 13.345 3.983 354 HG1 THR 45 HG1 THR 45 -1.942 11.764 1.943 355 HG21 THR 45 HG21 THR 45 -3.445 13.462 2.356 356 HG22 THR 45 HG22 THR 45 -2.310 13.921 1.088 357 HG23 THR 45 HG23 THR 45 -2.622 15.020 2.432 358 H GLY 46 HN GLY 46 2.140 12.949 2.328 359 HA2 GLY 46 HA2 GLY 46 3.901 13.432 4.227 360 HA3 GLY 46 HA1 GLY 46 2.698 12.652 5.253 361 H ILE 47 HN ILE 47 3.413 10.673 5.709 362 HA ILE 47 HA ILE 47 4.130 8.853 3.477 363 HB ILE 47 HB ILE 47 6.162 8.084 4.503 364 HG12 ILE 47 HG12 ILE 47 5.559 8.214 6.871 365 HG13 ILE 47 HG11 ILE 47 7.036 9.130 6.603 366 HG21 ILE 47 HG21 ILE 47 6.157 11.109 4.635 367 HG22 ILE 47 HG22 ILE 47 6.276 10.176 3.146 368 HG23 ILE 47 HG23 ILE 47 7.553 10.070 4.355 369 HD11 ILE 47 HD11 ILE 47 5.793 10.591 7.932 370 HD12 ILE 47 HD12 ILE 47 4.263 10.142 7.175 371 HD13 ILE 47 HD13 ILE 47 5.410 11.171 6.310 372 H ILE 48 HN ILE 48 4.049 6.602 4.115 373 HA ILE 48 HA ILE 48 2.846 5.995 6.739 374 HB ILE 48 HB ILE 48 0.933 6.529 5.212 375 HG12 ILE 48 HG12 ILE 48 -0.286 4.380 5.635 376 HG13 ILE 48 HG11 ILE 48 1.242 3.642 6.095 377 HG21 ILE 48 HG21 ILE 48 0.490 5.195 3.294 378 HG22 ILE 48 HG22 ILE 48 1.737 4.024 3.725 379 HG23 ILE 48 HG23 ILE 48 2.192 5.636 3.170 380 HD11 ILE 48 HD11 ILE 48 -0.389 4.728 7.917 381 HD12 ILE 48 HD12 ILE 48 0.483 6.195 7.470 382 HD13 ILE 48 HD13 ILE 48 1.364 4.798 8.093 383 H LYS 49 HN LYS 49 3.140 3.826 7.326 384 HA LYS 49 HA LYS 49 5.264 2.447 5.852 385 HB2 LYS 49 HB2 LYS 49 3.856 1.804 8.435 386 HB3 LYS 49 HB1 LYS 49 5.187 0.857 7.764 387 HG2 LYS 49 HG2 LYS 49 6.611 2.891 7.764 388 HG3 LYS 49 HG1 LYS 49 5.290 3.797 8.502 389 HD2 LYS 49 HD2 LYS 49 5.310 2.179 10.403 390 HD3 LYS 49 HD1 LYS 49 6.719 1.408 9.678 391 HE2 LYS 49 HE2 LYS 49 6.600 4.337 10.440 392 HE3 LYS 49 HE1 LYS 49 7.306 3.079 11.455 393 HZ1 LYS 49 HZ1 LYS 49 8.413 4.392 9.192 394 HZ2 LYS 49 HZ2 LYS 49 8.401 2.708 8.963 395 HZ3 LYS 49 HZ3 LYS 49 9.171 3.379 10.321 396 H PHE 50 HN PHE 50 5.109 0.267 5.109 397 HA PHE 50 HA PHE 50 2.412 -0.925 4.945 398 HB2 PHE 50 HB2 PHE 50 2.338 -1.049 2.567 399 HB3 PHE 50 HB1 PHE 50 2.707 0.627 2.959 400 HD1 PHE 50 HD2 PHE 50 5.269 1.251 3.058 401 HD2 PHE 50 HD1 PHE 50 3.704 -2.212 1.059 402 HE1 PHE 50 HE2 PHE 50 7.321 1.123 1.665 403 HE2 PHE 50 HE1 PHE 50 5.753 -2.335 -0.328 404 HZ PHE 50 HZ PHE 50 7.560 -0.670 -0.026 405 H THR 51 HN THR 51 2.468 -3.144 4.388 406 HA THR 51 HA THR 51 5.177 -4.415 4.302 407 HB THR 51 HB THR 51 2.843 -5.277 6.037 408 HG1 THR 51 HG1 THR 51 5.431 -4.458 6.820 409 HG21 THR 51 HG21 THR 51 3.935 -7.263 5.382 410 HG22 THR 51 HG22 THR 51 4.707 -6.850 6.914 411 HG23 THR 51 HG23 THR 51 5.525 -6.499 5.391 412 H ILE 52 HN ILE 52 5.317 -5.932 2.748 413 HA ILE 52 HA ILE 52 2.830 -6.677 1.280 414 HB ILE 52 HB ILE 52 5.748 -6.958 0.521 415 HG12 ILE 52 HG12 ILE 52 3.625 -5.107 -0.592 416 HG13 ILE 52 HG11 ILE 52 4.766 -4.619 0.659 417 HG21 ILE 52 HG21 ILE 52 4.541 -8.672 -0.610 418 HG22 ILE 52 HG22 ILE 52 4.665 -7.352 -1.772 419 HG23 ILE 52 HG23 ILE 52 3.158 -7.618 -0.894 420 HD11 ILE 52 HD11 ILE 52 5.390 -4.100 -1.799 421 HD12 ILE 52 HD12 ILE 52 5.723 -5.825 -1.938 422 HD13 ILE 52 HD13 ILE 52 6.626 -4.844 -0.784 423 H TRP 53 HN TRP 53 2.000 -8.644 1.545 424 HA TRP 53 HA TRP 53 3.582 -10.712 2.983 425 HB2 TRP 53 HB2 TRP 53 0.676 -10.730 2.128 426 HB3 TRP 53 HB1 TRP 53 1.445 -11.853 3.249 427 HD1 TRP 53 HD1 TRP 53 0.487 -8.134 2.951 428 HE1 TRP 53 HE1 TRP 53 0.306 -7.147 5.324 429 HE3 TRP 53 HE3 TRP 53 2.081 -12.135 5.688 430 HZ2 TRP 53 HZ2 TRP 53 0.777 -7.950 8.030 431 HZ3 TRP 53 HZ3 TRP 53 2.205 -11.999 8.159 432 HH2 TRP 53 HH2 TRP 53 1.555 -9.914 9.333 433 H LYS 54 HN LYS 54 4.653 -12.167 1.799 434 HA LYS 54 HA LYS 54 4.324 -12.424 -1.058 435 HB2 LYS 54 HB2 LYS 54 5.905 -14.366 -0.773 436 HB3 LYS 54 HB1 LYS 54 6.500 -12.853 -0.095 437 HG2 LYS 54 HG2 LYS 54 5.636 -13.581 2.146 438 HG3 LYS 54 HG1 LYS 54 5.214 -15.134 1.432 439 HD2 LYS 54 HD2 LYS 54 8.014 -13.986 1.324 440 HD3 LYS 54 HD1 LYS 54 7.473 -15.050 2.620 441 HE2 LYS 54 HE2 LYS 54 6.789 -16.692 0.753 442 HE3 LYS 54 HE1 LYS 54 7.753 -15.683 -0.324 443 HZ1 LYS 54 HZ1 LYS 54 9.686 -16.118 0.891 444 HZ2 LYS 54 HZ2 LYS 54 8.916 -17.625 0.741 445 HZ3 LYS 54 HZ3 LYS 54 8.832 -16.767 2.206 446 H ASN 55 HN ASN 55 2.487 -13.523 1.470 447 HA ASN 55 HA ASN 55 1.804 -16.194 0.713 448 HB2 ASN 55 HB2 ASN 55 0.331 -14.004 2.183 449 HB3 ASN 55 HB1 ASN 55 -0.425 -15.567 1.882 450 HD21 ASN 55 HD21 ASN 55 1.987 -17.188 2.209 451 HD22 ASN 55 HD22 ASN 55 2.417 -17.119 3.848 452 H ALA 56 HN ALA 56 0.500 -13.040 -0.286 453 HA ALA 56 HA ALA 56 -1.505 -14.235 -2.048 454 HB1 ALA 56 HB1 ALA 56 -1.666 -11.793 -2.852 455 HB2 ALA 56 HB2 ALA 56 -0.488 -11.424 -1.594 456 HB3 ALA 56 HB3 ALA 56 -2.059 -12.091 -1.158 457 H GLU 57 HN GLU 57 1.824 -13.625 -2.215 458 HA GLU 57 HA GLU 57 3.387 -13.702 -3.950 459 HB2 GLU 57 HB2 GLU 57 1.127 -15.308 -5.177 460 HB3 GLU 57 HB1 GLU 57 2.730 -15.167 -5.902 461 HG2 GLU 57 HG2 GLU 57 3.758 -16.097 -3.884 462 HG3 GLU 57 HG1 GLU 57 2.184 -16.178 -3.096 463 H LEU 58 HN LEU 58 2.594 -11.289 -3.936 464 HA LEU 58 HA LEU 58 1.416 -10.575 -6.571 465 HB2 LEU 58 HB2 LEU 58 2.026 -8.728 -4.257 466 HB3 LEU 58 HB1 LEU 58 0.991 -8.401 -5.646 467 HG LEU 58 HG LEU 58 0.478 -10.544 -3.564 468 HD11 LEU 58 HD11 LEU 58 0.199 -8.181 -2.762 469 HD12 LEU 58 HD12 LEU 58 -1.302 -9.106 -2.770 470 HD13 LEU 58 HD13 LEU 58 -0.983 -7.934 -4.048 471 HD21 LEU 58 HD21 LEU 58 -1.831 -10.445 -4.757 472 HD22 LEU 58 HD22 LEU 58 -0.525 -11.285 -5.585 473 HD23 LEU 58 HD23 LEU 58 -0.965 -9.646 -6.069 474 HA PRO 59 HA PRO 59 5.283 -9.384 -8.390 475 HB2 PRO 59 HB2 PRO 59 4.076 -6.706 -8.978 476 HB3 PRO 59 HB1 PRO 59 4.851 -7.860 -10.081 477 HG2 PRO 59 HG2 PRO 59 2.197 -7.552 -10.020 478 HG3 PRO 59 HG1 PRO 59 2.948 -9.130 -10.308 479 HD2 PRO 59 HD2 PRO 59 1.582 -8.117 -7.854 480 HD3 PRO 59 HD1 PRO 59 1.695 -9.766 -8.503 481 H LEU 60 HN LEU 60 7.177 -8.361 -7.778 482 HA LEU 60 HA LEU 60 7.207 -6.994 -5.217 483 HB2 LEU 60 HB2 LEU 60 9.446 -7.328 -7.231 484 HB3 LEU 60 HB1 LEU 60 9.628 -6.890 -5.532 485 HG LEU 60 HG LEU 60 8.457 -9.495 -6.556 486 HD11 LEU 60 HD11 LEU 60 10.845 -9.453 -6.938 487 HD12 LEU 60 HD12 LEU 60 10.547 -10.449 -5.514 488 HD13 LEU 60 HD13 LEU 60 11.139 -8.799 -5.327 489 HD21 LEU 60 HD21 LEU 60 7.423 -9.162 -4.473 490 HD22 LEU 60 HD22 LEU 60 8.807 -8.291 -3.810 491 HD23 LEU 60 HD23 LEU 60 8.878 -10.042 -4.011 492 H LEU 61 HN LEU 61 7.538 -4.845 -4.800 493 HA LEU 61 HA LEU 61 6.975 -2.988 -7.013 494 HB2 LEU 61 HB2 LEU 61 7.164 -2.718 -4.017 495 HB3 LEU 61 HB1 LEU 61 7.080 -1.296 -5.057 496 HG LEU 61 HG LEU 61 4.997 -2.148 -6.063 497 HD11 LEU 61 HD11 LEU 61 3.909 -4.103 -4.746 498 HD12 LEU 61 HD12 LEU 61 5.547 -4.460 -4.201 499 HD13 LEU 61 HD13 LEU 61 5.161 -4.498 -5.922 500 HD21 LEU 61 HD21 LEU 61 3.549 -1.865 -4.075 501 HD22 LEU 61 HD22 LEU 61 4.855 -0.679 -4.090 502 HD23 LEU 61 HD23 LEU 61 4.951 -2.085 -3.029 503 H GLU 62 HN GLU 62 8.324 -1.292 -7.624 504 HA GLU 62 HA GLU 62 11.220 -1.778 -7.141 505 HB2 GLU 62 HB2 GLU 62 9.707 -0.234 -9.251 506 HB3 GLU 62 HB1 GLU 62 11.467 -0.237 -9.129 507 HG2 GLU 62 HG2 GLU 62 11.509 -2.669 -9.393 508 HG3 GLU 62 HG1 GLU 62 9.746 -2.717 -9.429 509 H GLN 63 HN GLN 63 12.581 -0.161 -6.432 510 HA GLN 63 HA GLN 63 11.405 1.874 -4.728 511 HB2 GLN 63 HB2 GLN 63 13.528 0.688 -4.185 512 HB3 GLN 63 HB1 GLN 63 14.297 1.498 -5.550 513 HG2 GLN 63 HG2 GLN 63 13.814 3.690 -4.538 514 HG3 GLN 63 HG1 GLN 63 13.012 2.895 -3.185 515 HE21 GLN 63 HE21 GLN 63 14.447 3.275 -1.461 516 HE22 GLN 63 HE22 GLN 63 16.095 2.864 -1.485 517 H GLY 64 HN GLY 64 11.135 4.004 -5.135 518 HA2 GLY 64 HA2 GLY 64 11.362 6.090 -6.217 519 HA3 GLY 64 HA1 GLY 64 12.525 5.363 -7.327 520 H GLU 65 HN GLU 65 9.555 3.663 -6.935 521 HA GLU 65 HA GLU 65 8.524 4.823 -9.507 522 HB2 GLU 65 HB2 GLU 65 8.608 1.926 -8.642 523 HB3 GLU 65 HB1 GLU 65 7.692 2.512 -10.029 524 HG2 GLU 65 HG2 GLU 65 10.679 2.890 -9.666 525 HG3 GLU 65 HG1 GLU 65 9.946 1.626 -10.653 526 H SER 66 HN SER 66 6.340 4.994 -9.737 527 HA SER 66 HA SER 66 4.805 5.221 -7.276 528 HB2 SER 66 HB2 SER 66 2.975 5.916 -8.894 529 HB3 SER 66 HB1 SER 66 4.422 6.919 -8.891 530 HG SER 66 HG SER 66 5.011 5.137 -10.602 531 H TYR 67 HN TYR 67 2.891 4.070 -6.805 532 HA TYR 67 HA TYR 67 2.255 1.694 -8.468 533 HB2 TYR 67 HB2 TYR 67 3.227 1.641 -5.612 534 HB3 TYR 67 HB1 TYR 67 2.182 0.363 -6.230 535 HD1 TYR 67 HD2 TYR 67 2.882 -0.807 -8.402 536 HD2 TYR 67 HD1 TYR 67 5.553 1.596 -6.052 537 HE1 TYR 67 HE2 TYR 67 4.819 -1.895 -9.497 538 HE2 TYR 67 HE1 TYR 67 7.494 0.508 -7.146 539 HH TYR 67 HH TYR 67 7.947 -0.678 -9.319 540 H LEU 68 HN LEU 68 0.142 1.053 -8.287 541 HA LEU 68 HA LEU 68 -1.615 2.765 -6.578 542 HB2 LEU 68 HB2 LEU 68 -2.089 3.101 -8.938 543 HB3 LEU 68 HB1 LEU 68 -2.180 1.362 -9.210 544 HG LEU 68 HG LEU 68 -4.163 1.187 -7.821 545 HD11 LEU 68 HD11 LEU 68 -3.884 2.711 -6.056 546 HD12 LEU 68 HD12 LEU 68 -5.157 3.474 -7.005 547 HD13 LEU 68 HD13 LEU 68 -3.495 4.046 -7.139 548 HD21 LEU 68 HD21 LEU 68 -5.676 2.850 -9.066 549 HD22 LEU 68 HD22 LEU 68 -4.725 1.747 -10.059 550 HD23 LEU 68 HD23 LEU 68 -4.207 3.421 -9.856 551 H LEU 69 HN LEU 69 -2.432 1.725 -4.895 552 HA LEU 69 HA LEU 69 -2.636 -1.258 -4.946 553 HB2 LEU 69 HB2 LEU 69 -2.736 0.639 -2.585 554 HB3 LEU 69 HB1 LEU 69 -2.630 -1.121 -2.516 555 HG LEU 69 HG LEU 69 -0.547 0.711 -3.743 556 HD11 LEU 69 HD11 LEU 69 0.834 -0.120 -1.796 557 HD12 LEU 69 HD12 LEU 69 -0.646 -0.801 -1.119 558 HD13 LEU 69 HD13 LEU 69 -0.499 0.942 -1.343 559 HD21 LEU 69 HD21 LEU 69 -0.346 -1.325 -4.907 560 HD22 LEU 69 HD22 LEU 69 -0.830 -2.285 -3.508 561 HD23 LEU 69 HD23 LEU 69 0.773 -1.549 -3.566 562 H ARG 70 HN ARG 70 -4.603 -2.157 -5.013 563 HA ARG 70 HA ARG 70 -6.967 -0.535 -4.170 564 HB2 ARG 70 HB2 ARG 70 -6.651 -2.212 -6.660 565 HB3 ARG 70 HB1 ARG 70 -8.223 -1.694 -6.050 566 HG2 ARG 70 HG2 ARG 70 -7.550 0.650 -6.221 567 HG3 ARG 70 HG1 ARG 70 -5.937 0.168 -6.744 568 HD2 ARG 70 HD2 ARG 70 -7.253 0.783 -8.702 569 HD3 ARG 70 HD1 ARG 70 -6.965 -0.957 -8.731 570 HE ARG 70 HE ARG 70 -9.448 -0.416 -7.398 571 HH11 ARG 70 HH21 ARG 70 -7.922 -0.412 -10.496 572 HH12 ARG 70 HH22 ARG 70 -9.394 -0.697 -11.361 573 HH21 ARG 70 HH11 ARG 70 -11.368 -0.783 -8.518 574 HH22 ARG 70 HH12 ARG 70 -11.341 -0.906 -10.245 575 H SER 71 HN SER 71 -8.434 -1.585 -2.971 576 HA SER 71 HA SER 71 -9.513 -3.289 -1.802 577 HB2 SER 71 HB2 SER 71 -7.953 -5.387 -3.301 578 HB3 SER 71 HB1 SER 71 -9.603 -5.453 -2.690 579 HG SER 71 HG SER 71 -9.881 -5.047 -4.794 580 H VAL 72 HN VAL 72 -7.485 -2.108 -0.499 581 HA VAL 72 HA VAL 72 -5.898 -4.363 0.702 582 HB VAL 72 HB VAL 72 -4.350 -2.575 1.506 583 HG11 VAL 72 HG11 VAL 72 -4.749 -2.532 -1.494 584 HG12 VAL 72 HG12 VAL 72 -4.046 -3.899 -0.628 585 HG13 VAL 72 HG13 VAL 72 -3.235 -2.333 -0.610 586 HG21 VAL 72 HG21 VAL 72 -4.531 -0.335 0.710 587 HG22 VAL 72 HG22 VAL 72 -6.151 -0.745 1.272 588 HG23 VAL 72 HG23 VAL 72 -5.784 -0.765 -0.453 589 H VAL 73 HN VAL 73 -5.518 -4.216 3.008 590 HA VAL 73 HA VAL 73 -7.821 -2.968 4.468 591 HB VAL 73 HB VAL 73 -7.747 -5.479 4.437 592 HG11 VAL 73 HG11 VAL 73 -5.175 -5.510 4.496 593 HG12 VAL 73 HG12 VAL 73 -6.002 -6.670 5.535 594 HG13 VAL 73 HG13 VAL 73 -5.322 -5.198 6.227 595 HG21 VAL 73 HG21 VAL 73 -7.228 -4.279 7.169 596 HG22 VAL 73 HG22 VAL 73 -8.197 -5.705 6.802 597 HG23 VAL 73 HG23 VAL 73 -8.751 -4.108 6.298 598 H VAL 74 HN VAL 74 -7.365 -1.734 6.246 599 HA VAL 74 HA VAL 74 -4.580 -0.853 6.552 600 HB VAL 74 HB VAL 74 -7.138 0.069 7.870 601 HG11 VAL 74 HG11 VAL 74 -5.352 0.658 9.337 602 HG12 VAL 74 HG12 VAL 74 -5.654 2.102 8.372 603 HG13 VAL 74 HG13 VAL 74 -4.281 1.060 7.995 604 HG21 VAL 74 HG21 VAL 74 -7.024 1.906 6.296 605 HG22 VAL 74 HG22 VAL 74 -6.877 0.411 5.372 606 HG23 VAL 74 HG23 VAL 74 -5.443 1.377 5.718 607 H GLY 75 HN GLY 75 -3.282 -1.964 7.826 608 HA2 GLY 75 HA2 GLY 75 -4.308 -3.553 10.082 609 HA3 GLY 75 HA1 GLY 75 -2.645 -3.521 9.499 610 H GLU 76 HN GLU 76 -2.778 -3.406 12.114 611 HA GLU 76 HA GLU 76 -2.614 -0.513 12.897 612 HB2 GLU 76 HB2 GLU 76 -3.033 -2.964 14.632 613 HB3 GLU 76 HB1 GLU 76 -2.992 -1.294 15.195 614 HG2 GLU 76 HG2 GLU 76 -5.296 -1.675 14.960 615 HG3 GLU 76 HG1 GLU 76 -4.890 -0.907 13.426 616 H TYR 77 HN TYR 77 -0.649 0.253 13.377 617 HA TYR 77 HA TYR 77 1.506 -1.662 14.189 618 HB2 TYR 77 HB2 TYR 77 1.760 -0.985 11.799 619 HB3 TYR 77 HB1 TYR 77 1.838 0.700 12.318 620 HD1 TYR 77 HD2 TYR 77 3.458 -2.628 12.743 621 HD2 TYR 77 HD1 TYR 77 3.863 1.627 13.131 622 HE1 TYR 77 HE2 TYR 77 5.870 -2.904 13.247 623 HE2 TYR 77 HE1 TYR 77 6.273 1.353 13.636 624 HH TYR 77 HH TYR 77 7.878 -1.734 13.299 625 H ASN 78 HN ASN 78 1.061 -1.003 16.344 626 HA ASN 78 HA ASN 78 1.407 0.296 18.254 627 HB2 ASN 78 HB2 ASN 78 3.712 0.378 17.124 628 HB3 ASN 78 HB1 ASN 78 3.257 1.987 16.570 629 HD21 ASN 78 HD21 ASN 78 4.735 3.153 17.941 630 HD22 ASN 78 HD22 ASN 78 4.585 3.170 19.632 631 H ASP 79 HN ASP 79 2.227 3.234 17.860 632 HA ASP 79 HA ASP 79 -0.495 4.293 17.926 633 HB2 ASP 79 HB2 ASP 79 2.238 5.594 18.051 634 HB3 ASP 79 HB1 ASP 79 0.730 6.499 18.182 635 H ARG 80 HN ARG 80 1.618 3.497 15.462 636 HA ARG 80 HA ARG 80 0.569 5.626 13.634 637 HB2 ARG 80 HB2 ARG 80 3.082 5.262 13.895 638 HB3 ARG 80 HB1 ARG 80 2.839 3.726 13.065 639 HG2 ARG 80 HG2 ARG 80 3.288 5.086 11.232 640 HG3 ARG 80 HG1 ARG 80 1.538 5.266 11.306 641 HD2 ARG 80 HD2 ARG 80 2.415 7.483 11.113 642 HD3 ARG 80 HD1 ARG 80 1.956 7.303 12.805 643 HE ARG 80 HE ARG 80 4.707 6.539 12.423 644 HH11 ARG 80 HH21 ARG 80 2.555 9.236 12.623 645 HH12 ARG 80 HH22 ARG 80 3.776 10.325 13.194 646 HH21 ARG 80 HH11 ARG 80 6.295 7.948 13.160 647 HH22 ARG 80 HH12 ARG 80 5.888 9.597 13.497 648 H PHE 81 HN PHE 81 -0.453 5.056 11.730 649 HA PHE 81 HA PHE 81 -1.728 2.408 11.724 650 HB2 PHE 81 HB2 PHE 81 -2.041 4.844 9.953 651 HB3 PHE 81 HB1 PHE 81 -2.994 3.368 9.778 652 HD1 PHE 81 HD2 PHE 81 -4.422 2.579 11.689 653 HD2 PHE 81 HD1 PHE 81 -2.519 6.429 11.674 654 HE1 PHE 81 HE2 PHE 81 -5.931 3.330 13.507 655 HE2 PHE 81 HE1 PHE 81 -4.027 7.181 13.494 656 HZ PHE 81 HZ PHE 81 -5.733 5.631 14.410 657 H GLN 82 HN GLN 82 -1.666 0.969 9.916 658 HA GLN 82 HA GLN 82 0.520 1.430 7.934 659 HB2 GLN 82 HB2 GLN 82 1.529 0.138 9.754 660 HB3 GLN 82 HB1 GLN 82 0.224 -1.045 9.655 661 HG2 GLN 82 HG2 GLN 82 0.884 -1.665 7.401 662 HG3 GLN 82 HG1 GLN 82 2.082 -0.374 7.361 663 HE21 GLN 82 HE21 GLN 82 4.148 -1.142 7.725 664 HE22 GLN 82 HE22 GLN 82 4.543 -2.460 8.719 665 H VAL 83 HN VAL 83 0.292 0.166 6.035 666 HA VAL 83 HA VAL 83 -2.460 -0.944 5.625 667 HB VAL 83 HB VAL 83 -2.225 -0.297 3.279 668 HG11 VAL 83 HG11 VAL 83 -3.090 1.321 4.972 669 HG12 VAL 83 HG12 VAL 83 -2.318 2.116 3.600 670 HG13 VAL 83 HG13 VAL 83 -1.460 1.975 5.135 671 HG21 VAL 83 HG21 VAL 83 -0.214 1.231 2.748 672 HG22 VAL 83 HG22 VAL 83 0.100 -0.501 2.835 673 HG23 VAL 83 HG23 VAL 83 0.537 0.541 4.188 674 H GLN 84 HN GLN 84 -2.608 -3.020 5.053 675 HA GLN 84 HA GLN 84 -0.080 -4.525 4.521 676 HB2 GLN 84 HB2 GLN 84 -2.796 -5.412 5.523 677 HB3 GLN 84 HB1 GLN 84 -1.456 -6.510 5.192 678 HG2 GLN 84 HG2 GLN 84 -0.061 -5.318 6.836 679 HG3 GLN 84 HG1 GLN 84 -1.386 -4.201 7.158 680 HE21 GLN 84 HE21 GLN 84 -0.883 -5.274 9.447 681 HE22 GLN 84 HE22 GLN 84 -1.809 -6.644 9.824 682 H VAL 85 HN VAL 85 0.259 -5.074 2.458 683 HA VAL 85 HA VAL 85 -2.008 -5.163 0.542 684 HB VAL 85 HB VAL 85 0.934 -5.560 -0.050 685 HG11 VAL 85 HG11 VAL 85 -1.356 -4.519 -1.741 686 HG12 VAL 85 HG12 VAL 85 -0.779 -6.185 -1.771 687 HG13 VAL 85 HG13 VAL 85 0.282 -4.875 -2.290 688 HG21 VAL 85 HG21 VAL 85 0.782 -3.429 1.074 689 HG22 VAL 85 HG22 VAL 85 -0.683 -3.006 0.190 690 HG23 VAL 85 HG23 VAL 85 0.861 -3.093 -0.656 691 H ASN 86 HN ASN 86 -3.040 -7.117 0.756 692 HA ASN 86 HA ASN 86 -1.477 -9.542 0.123 693 HB2 ASN 86 HB2 ASN 86 -2.554 -10.759 2.070 694 HB3 ASN 86 HB1 ASN 86 -1.301 -9.598 2.510 695 HD21 ASN 86 HD21 ASN 86 -4.738 -8.955 1.618 696 HD22 ASN 86 HD22 ASN 86 -5.123 -8.205 3.092 697 H LYS 87 HN LYS 87 -3.152 -11.472 0.285 698 HA LYS 87 HA LYS 87 -5.069 -12.479 -0.546 699 HB2 LYS 87 HB2 LYS 87 -6.153 -10.667 0.969 700 HB3 LYS 87 HB1 LYS 87 -6.485 -9.811 -0.538 701 HG2 LYS 87 HG2 LYS 87 -7.535 -11.997 -1.378 702 HG3 LYS 87 HG1 LYS 87 -7.449 -12.559 0.289 703 HD2 LYS 87 HD2 LYS 87 -8.817 -9.990 -0.558 704 HD3 LYS 87 HD1 LYS 87 -9.657 -11.522 -0.320 705 HE2 LYS 87 HE2 LYS 87 -8.624 -11.551 2.028 706 HE3 LYS 87 HE1 LYS 87 -8.194 -9.865 1.740 707 HZ1 LYS 87 HZ1 LYS 87 -10.805 -10.045 0.971 708 HZ2 LYS 87 HZ2 LYS 87 -10.229 -9.381 2.424 709 HZ3 LYS 87 HZ3 LYS 87 -10.733 -11.003 2.369 710 H ASN 88 HN ASN 88 -6.911 -10.476 -2.172 711 HA ASN 88 HA ASN 88 -5.593 -11.059 -4.763 712 HB2 ASN 88 HB2 ASN 88 -8.355 -10.026 -4.040 713 HB3 ASN 88 HB1 ASN 88 -7.813 -10.332 -5.690 714 HD21 ASN 88 HD21 ASN 88 -6.200 -12.745 -4.763 715 HD22 ASN 88 HD22 ASN 88 -7.355 -13.958 -4.498 716 H SER 89 HN SER 89 -5.175 -8.736 -2.617 717 HA SER 89 HA SER 89 -5.769 -6.224 -3.519 718 HB2 SER 89 HB2 SER 89 -4.345 -6.598 -1.584 719 HB3 SER 89 HB1 SER 89 -3.049 -7.193 -2.615 720 HG SER 89 HG SER 89 -2.551 -5.207 -3.109 721 H SER 90 HN SER 90 -5.839 -5.497 -5.547 722 HA SER 90 HA SER 90 -4.069 -6.501 -7.638 723 HB2 SER 90 HB2 SER 90 -5.879 -4.087 -7.794 724 HB3 SER 90 HB1 SER 90 -5.323 -5.103 -9.120 725 HG SER 90 HG SER 90 -7.386 -5.743 -8.584 726 H ILE 91 HN ILE 91 -2.395 -5.383 -8.652 727 HA ILE 91 HA ILE 91 -1.568 -2.757 -7.480 728 HB ILE 91 HB ILE 91 0.220 -5.161 -7.925 729 HG12 ILE 91 HG12 ILE 91 -0.411 -3.627 -5.384 730 HG13 ILE 91 HG11 ILE 91 -1.207 -5.133 -5.835 731 HG21 ILE 91 HG21 ILE 91 0.784 -2.271 -7.226 732 HG22 ILE 91 HG22 ILE 91 1.464 -3.220 -8.546 733 HG23 ILE 91 HG23 ILE 91 1.936 -3.562 -6.882 734 HD11 ILE 91 HD11 ILE 91 0.555 -5.824 -4.417 735 HD12 ILE 91 HD12 ILE 91 1.688 -4.679 -5.129 736 HD13 ILE 91 HD13 ILE 91 1.188 -6.103 -6.039 737 H GLU 92 HN GLU 92 -0.991 -1.321 -9.019 738 HA GLU 92 HA GLU 92 -0.267 -2.351 -11.748 739 HB2 GLU 92 HB2 GLU 92 -2.598 -1.521 -11.755 740 HB3 GLU 92 HB1 GLU 92 -2.034 0.037 -11.143 741 HG2 GLU 92 HG2 GLU 92 -0.663 0.365 -13.139 742 HG3 GLU 92 HG1 GLU 92 -1.108 -1.234 -13.737 743 H LYS 93 HN LYS 93 1.553 -1.492 -12.534 744 HA LYS 93 HA LYS 93 3.064 0.432 -10.926 745 HB2 LYS 93 HB2 LYS 93 4.128 -1.496 -12.066 746 HB3 LYS 93 HB1 LYS 93 3.695 -0.797 -13.624 747 HG2 LYS 93 HG2 LYS 93 5.022 1.227 -13.073 748 HG3 LYS 93 HG1 LYS 93 5.480 0.495 -11.536 749 HD2 LYS 93 HD2 LYS 93 6.017 -0.891 -14.165 750 HD3 LYS 93 HD1 LYS 93 7.149 0.281 -13.495 751 HE2 LYS 93 HE2 LYS 93 7.159 -1.097 -11.361 752 HE3 LYS 93 HE1 LYS 93 6.249 -2.325 -12.237 753 HZ1 LYS 93 HZ1 LYS 93 8.488 -2.918 -12.436 754 HZ2 LYS 93 HZ2 LYS 93 8.974 -1.332 -12.803 755 HZ3 LYS 93 HZ3 LYS 93 8.079 -2.233 -13.932 756 H LEU 94 HN LEU 94 3.007 2.592 -11.212 757 HA LEU 94 HA LEU 94 1.698 3.679 -13.670 758 HB2 LEU 94 HB2 LEU 94 2.099 4.687 -10.865 759 HB3 LEU 94 HB1 LEU 94 1.823 5.846 -12.166 760 HG LEU 94 HG LEU 94 -0.255 4.679 -12.776 761 HD11 LEU 94 HD11 LEU 94 0.129 2.419 -12.214 762 HD12 LEU 94 HD12 LEU 94 -1.069 2.942 -11.035 763 HD13 LEU 94 HD13 LEU 94 0.628 2.816 -10.569 764 HD21 LEU 94 HD21 LEU 94 -1.569 5.384 -10.889 765 HD22 LEU 94 HD22 LEU 94 -0.191 6.478 -10.990 766 HD23 LEU 94 HD23 LEU 94 -0.205 5.187 -9.790 767 H SER 95 HN SER 95 2.828 4.755 -15.137 768 HA SER 95 HA SER 95 5.732 5.009 -14.888 769 HB2 SER 95 HB2 SER 95 4.628 4.392 -17.036 770 HB3 SER 95 HB1 SER 95 3.833 5.960 -17.056 771 HG SER 95 HG SER 95 6.625 5.445 -17.098 772 H GLU 96 HN GLU 96 3.147 6.805 -13.824 773 HA GLU 96 HA GLU 96 4.494 9.435 -14.225 774 HB2 GLU 96 HB2 GLU 96 1.712 8.696 -13.299 775 HB3 GLU 96 HB1 GLU 96 2.342 10.346 -13.284 776 HG2 GLU 96 HG2 GLU 96 2.609 10.388 -15.643 777 HG3 GLU 96 HG1 GLU 96 2.417 8.639 -15.776 778 HA PRO 97 HA PRO 97 5.718 8.562 -9.901 779 HB2 PRO 97 HB2 PRO 97 7.826 10.295 -9.777 780 HB3 PRO 97 HB1 PRO 97 7.934 8.702 -10.552 781 HG2 PRO 97 HG2 PRO 97 7.655 11.392 -11.792 782 HG3 PRO 97 HG1 PRO 97 8.553 9.975 -12.360 783 HD2 PRO 97 HD2 PRO 97 6.056 10.758 -13.313 784 HD3 PRO 97 HD1 PRO 97 6.719 9.120 -13.471 785 H ILE 98 HN ILE 98 5.538 9.766 -7.926 786 HA ILE 98 HA ILE 98 3.988 12.302 -8.227 787 HB ILE 98 HB ILE 98 4.270 10.439 -5.855 788 HG12 ILE 98 HG12 ILE 98 1.875 10.944 -7.646 789 HG13 ILE 98 HG11 ILE 98 2.986 9.595 -7.884 790 HG21 ILE 98 HG21 ILE 98 2.306 11.829 -5.037 791 HG22 ILE 98 HG22 ILE 98 2.668 12.959 -6.343 792 HG23 ILE 98 HG23 ILE 98 3.857 12.670 -5.072 793 HD11 ILE 98 HD11 ILE 98 2.509 8.824 -5.570 794 HD12 ILE 98 HD12 ILE 98 1.053 8.862 -6.565 795 HD13 ILE 98 HD13 ILE 98 1.351 10.143 -5.388 796 H GLU 99 HN GLU 99 4.923 14.167 -7.701 797 HA GLU 99 HA GLU 99 7.623 14.162 -6.512 798 HB2 GLU 99 HB2 GLU 99 7.123 15.575 -8.486 799 HB3 GLU 99 HB1 GLU 99 5.921 16.452 -7.541 800 HG2 GLU 99 HG2 GLU 99 7.645 17.191 -5.972 801 HG3 GLU 99 HG1 GLU 99 8.861 16.248 -6.834 802 H VAL 100 HN VAL 100 7.893 14.381 -4.376 803 HA VAL 100 HA VAL 100 5.713 15.612 -2.730 804 HB VAL 100 HB VAL 100 7.944 13.743 -1.873 805 HG11 VAL 100 HG11 VAL 100 5.577 14.995 -0.464 806 HG12 VAL 100 HG12 VAL 100 7.275 15.050 0.002 807 HG13 VAL 100 HG13 VAL 100 6.370 13.546 0.154 808 HG21 VAL 100 HG21 VAL 100 6.314 12.620 -3.351 809 HG22 VAL 100 HG22 VAL 100 4.990 13.214 -2.348 810 HG23 VAL 100 HG23 VAL 100 6.143 12.053 -1.690 811 H GLY 101 HN GLY 101 8.882 16.051 -3.901 812 HA2 GLY 101 HA2 GLY 101 9.928 18.265 -3.632 813 HA3 GLY 101 HA1 GLY 101 9.305 18.320 -1.984 814 H LEU 102 HN LEU 102 11.615 16.630 -4.072 815 HA LEU 102 HA LEU 102 13.022 15.501 -1.722 816 HB2 LEU 102 HB2 LEU 102 13.695 15.361 -4.680 817 HB3 LEU 102 HB1 LEU 102 14.461 14.417 -3.402 818 HG LEU 102 HG LEU 102 11.513 14.319 -4.118 819 HD11 LEU 102 HD11 LEU 102 13.769 12.365 -4.661 820 HD12 LEU 102 HD12 LEU 102 12.880 13.297 -5.867 821 HD13 LEU 102 HD13 LEU 102 12.060 12.036 -4.947 822 HD21 LEU 102 HD21 LEU 102 11.585 13.709 -1.855 823 HD22 LEU 102 HD22 LEU 102 13.200 13.012 -1.988 824 HD23 LEU 102 HD23 LEU 102 11.808 12.146 -2.639 825 H GLU 103 HN GLU 103 12.933 18.405 -3.328 826 HA GLU 103 HA GLU 103 15.454 19.262 -2.088 827 HB2 GLU 103 HB2 GLU 103 15.968 18.342 -4.466 828 HB3 GLU 103 HB1 GLU 103 15.129 19.777 -5.048 829 HG2 GLU 103 HG2 GLU 103 17.451 19.877 -3.098 830 HG3 GLU 103 HG1 GLU 103 17.627 20.058 -4.842 831 H HIS 104 HN HIS 104 13.428 20.516 -4.750 832 HA HIS 104 HA HIS 104 12.398 22.632 -4.971 833 HB2 HIS 104 HB2 HIS 104 10.727 21.416 -3.625 834 HB3 HIS 104 HB1 HIS 104 11.553 21.910 -2.146 835 HD1 HIS 104 HD1 HIS 104 9.839 23.495 -5.163 836 HD2 HIS 104 HD2 HIS 104 10.737 24.396 -1.192 837 HE1 HIS 104 HE1 HIS 104 8.699 25.697 -4.653 838 H HIS 105 HN HIS 105 12.288 23.509 -1.705 839 HA HIS 105 HA HIS 105 14.867 24.946 -1.738 840 HB2 HIS 105 HB2 HIS 105 12.196 26.379 -1.688 841 HB3 HIS 105 HB1 HIS 105 13.746 27.140 -1.321 842 HD1 HIS 105 HD1 HIS 105 15.592 26.933 -3.330 843 HD2 HIS 105 HD2 HIS 105 11.608 26.338 -4.402 844 HE1 HIS 105 HE1 HIS 105 15.481 27.197 -5.846 845 H HIS 106 HN HIS 106 15.528 25.540 0.332 846 HA HIS 106 HA HIS 106 13.681 25.283 2.600 847 HB2 HIS 106 HB2 HIS 106 15.159 23.575 3.731 848 HB3 HIS 106 HB1 HIS 106 14.241 22.958 2.359 849 HD1 HIS 106 HD1 HIS 106 17.743 23.940 3.374 850 HD2 HIS 106 HD2 HIS 106 15.800 22.131 0.159 851 HE1 HIS 106 HE1 HIS 106 19.557 22.983 1.885 852 H HIS 107 HN HIS 107 14.525 26.202 4.501 853 HA HIS 107 HA HIS 107 17.066 27.760 4.150 854 HB2 HIS 107 HB2 HIS 107 14.572 28.398 5.749 855 HB3 HIS 107 HB1 HIS 107 16.048 29.364 5.772 856 HD1 HIS 107 HD1 HIS 107 16.806 30.358 3.375 857 HD2 HIS 107 HD2 HIS 107 12.879 28.978 3.611 858 HE1 HIS 107 HE1 HIS 107 15.589 31.318 1.372 859 H HIS 108 HN HIS 108 18.666 27.181 5.489 860 HA HIS 108 HA HIS 108 18.070 25.414 7.802 861 HB2 HIS 108 HB2 HIS 108 19.837 24.727 6.225 862 HB3 HIS 108 HB1 HIS 108 20.710 26.223 6.552 863 HD1 HIS 108 HD1 HIS 108 19.323 23.261 8.520 864 HD2 HIS 108 HD2 HIS 108 22.481 25.980 8.664 865 HE1 HIS 108 HE1 HIS 108 20.755 22.590 10.498 866 H HIS 109 HN HIS 109 18.134 26.161 9.846 867 HA HIS 109 HA HIS 109 19.900 28.259 10.744 868 HB2 HIS 109 HB2 HIS 109 18.050 29.870 11.372 869 HB3 HIS 109 HB1 HIS 109 18.376 29.770 9.641 870 HD1 HIS 109 HD1 HIS 109 15.775 29.051 12.206 871 HD2 HIS 109 HD2 HIS 109 16.358 28.343 8.139 872 HE1 HIS 109 HE1 HIS 109 13.529 28.343 11.273
Contact the webmaster for help, if required. Saturday, May 11, 2024 11:46:53 AM GMT (wattos1)