NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
519124 | 2l43 | 17244 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1HT ALA 1 -3.587 -2.246 9.063 2 H2 ALA 1 2HT ALA 1 -2.202 -1.921 10.024 3 H3 ALA 1 3HT ALA 1 -2.608 -3.538 9.624 4 HA ALA 1 HA ALA 1 -0.794 -2.811 8.317 5 HB1 ALA 1 2HB ALA 1 -3.318 -2.963 6.672 6 HB2 ALA 1 3HB ALA 1 -2.456 -4.347 7.345 7 HB3 ALA 1 1HB ALA 1 -1.681 -3.332 6.130 8 H ARG 2 H ARG 2 0.234 -1.305 7.054 9 HA ARG 2 HA ARG 2 -0.673 1.405 7.288 10 HB2 ARG 2 2HB ARG 2 1.714 0.155 5.927 11 HB3 ARG 2 1HB ARG 2 1.395 1.881 5.873 12 HG2 ARG 2 2HG ARG 2 2.868 1.739 7.624 13 HG3 ARG 2 1HG ARG 2 1.320 1.678 8.468 14 HD2 ARG 2 2HD ARG 2 1.928 -0.252 9.384 15 HD3 ARG 2 1HD ARG 2 1.977 -0.976 7.778 16 HE ARG 2 HE ARG 2 4.220 -0.135 9.383 17 HH11 ARG 2 1HH1 ARG 2 3.128 -0.926 6.149 18 HH12 ARG 2 2HH1 ARG 2 4.712 -1.321 5.579 19 HH21 ARG 2 1HH2 ARG 2 6.301 -0.671 8.623 20 HH22 ARG 2 2HH2 ARG 2 6.510 -1.177 6.977 21 H THR 3 H THR 3 -2.189 2.238 6.016 22 HA THR 3 HA THR 3 -2.211 1.478 3.169 23 HB THR 3 HB THR 3 -4.696 2.404 4.577 24 HG1 THR 3 1HG THR 3 -4.085 0.688 5.845 25 HG21 THR 3 3HG2 THR 3 -5.183 0.279 2.806 26 HG22 THR 3 1HG2 THR 3 -4.092 1.396 1.986 27 HG23 THR 3 2HG2 THR 3 -5.627 1.976 2.629 28 H LYS 4 H LYS 4 -1.811 3.102 1.819 29 HA LYS 4 HA LYS 4 -2.218 5.861 2.769 30 HB2 LYS 4 2HB LYS 4 -0.080 4.564 1.236 31 HB3 LYS 4 1HB LYS 4 -0.648 6.061 0.508 32 HG2 LYS 4 2HG LYS 4 -0.242 7.229 2.632 33 HG3 LYS 4 1HG LYS 4 0.379 5.728 3.321 34 HD2 LYS 4 2HD LYS 4 2.293 5.770 2.026 35 HD3 LYS 4 1HD LYS 4 1.551 6.774 0.778 36 HE2 LYS 4 2HE LYS 4 1.490 8.623 2.531 37 HE3 LYS 4 1HE LYS 4 2.566 7.605 3.487 38 HZ1 LYS 4 3HZ LYS 4 4.192 7.682 1.737 39 HZ2 LYS 4 1HZ LYS 4 3.749 9.267 2.134 40 HZ3 LYS 4 2HZ LYS 4 3.145 8.546 0.731 41 H GLN 5 H GLN 5 -3.653 7.137 1.743 42 HA GLN 5 HA GLN 5 -4.926 6.061 -0.684 43 HB2 GLN 5 2HB GLN 5 -6.318 6.392 1.394 44 HB3 GLN 5 1HB GLN 5 -6.058 8.121 1.213 45 HG2 GLN 5 2HG GLN 5 -7.091 7.941 -1.066 46 HG3 GLN 5 1HG GLN 5 -7.519 6.280 -0.662 47 HE21 GLN 5 1HE2 GLN 5 -9.712 7.087 -1.076 48 HE22 GLN 5 2HE2 GLN 5 -10.569 7.854 0.214 49 H THR 6 H THR 6 -5.131 7.261 -2.510 50 HA THR 6 HA THR 6 -4.192 10.037 -2.495 51 HB THR 6 HB THR 6 -2.737 9.697 -4.385 52 HG1 THR 6 1HG THR 6 -3.774 8.094 -5.518 53 HG21 THR 6 3HG2 THR 6 -0.972 8.708 -3.371 54 HG22 THR 6 1HG2 THR 6 -1.919 7.328 -2.814 55 HG23 THR 6 2HG2 THR 6 -2.027 8.871 -1.968 56 H ALA 7 H ALA 7 -5.272 11.379 -3.869 57 HA ALA 7 HA ALA 7 -7.321 10.144 -5.596 58 HB1 ALA 7 1HB ALA 7 -7.645 12.923 -4.562 59 HB2 ALA 7 2HB ALA 7 -7.971 11.561 -3.489 60 HB3 ALA 7 3HB ALA 7 -8.868 11.730 -4.998 61 H ARG 8 H ARG 8 -7.468 10.765 -7.683 62 HA ARG 8 HA ARG 8 -5.328 12.423 -8.742 63 HB2 ARG 8 2HB ARG 8 -6.121 11.661 -10.950 64 HB3 ARG 8 1HB ARG 8 -5.781 10.318 -9.869 65 HG2 ARG 8 2HG ARG 8 -7.778 9.528 -10.435 66 HG3 ARG 8 1HG ARG 8 -8.462 10.819 -9.446 67 HD2 ARG 8 2HD ARG 8 -9.406 11.680 -11.259 68 HD3 ARG 8 1HD ARG 8 -7.805 11.959 -11.942 69 HE ARG 8 HE ARG 8 -8.256 9.364 -12.523 70 HH11 ARG 8 1HH1 ARG 8 -10.154 12.264 -13.035 71 HH12 ARG 8 2HH1 ARG 8 -10.935 11.651 -14.453 72 HH21 ARG 8 1HH2 ARG 8 -9.285 8.564 -14.397 73 HH22 ARG 8 2HH2 ARG 8 -10.441 9.550 -15.226 74 H LYS 9 H LYS 9 -5.632 14.244 -10.067 75 HA LYS 9 HA LYS 9 -8.212 15.358 -10.579 76 HB2 LYS 9 2HB LYS 9 -7.965 15.869 -8.157 77 HB3 LYS 9 1HB LYS 9 -6.493 16.757 -8.518 78 HG2 LYS 9 2HG LYS 9 -7.662 18.586 -8.940 79 HG3 LYS 9 1HG LYS 9 -8.594 17.742 -10.178 80 HD2 LYS 9 2HD LYS 9 -9.976 16.799 -8.250 81 HD3 LYS 9 1HD LYS 9 -9.196 18.025 -7.248 82 HE2 LYS 9 2HE LYS 9 -9.971 19.672 -9.090 83 HE3 LYS 9 1HE LYS 9 -11.077 18.379 -9.552 84 HZ1 LYS 9 3HZ LYS 9 -11.875 18.386 -7.212 85 HZ2 LYS 9 1HZ LYS 9 -12.203 19.818 -8.053 86 HZ3 LYS 9 2HZ LYS 9 -10.937 19.765 -6.932 87 H SER 10 H SER 10 -8.131 17.068 -12.047 88 HA SER 10 HA SER 10 -5.905 17.234 -13.733 89 HB2 SER 10 2HB SER 10 -8.432 18.790 -13.428 90 HB3 SER 10 1HB SER 10 -7.146 19.497 -14.405 91 HG SER 10 HG SER 10 -8.294 16.924 -14.764 92 H THR 11 H THR 11 -6.988 19.412 -11.144 93 HA THR 11 HA THR 11 -4.266 20.395 -10.866 94 HB THR 11 HB THR 11 -6.590 22.301 -11.232 95 HG1 THR 11 1HG THR 11 -6.092 21.668 -13.244 96 HG21 THR 11 3HG2 THR 11 -4.859 24.038 -11.332 97 HG22 THR 11 1HG2 THR 11 -3.649 22.834 -10.887 98 HG23 THR 11 2HG2 THR 11 -4.939 23.247 -9.758 99 H GLY 12 H GLY 12 -4.320 19.228 -8.906 100 HA2 GLY 12 2HA GLY 12 -6.193 20.213 -6.862 101 HA3 GLY 12 1HA GLY 12 -5.289 18.709 -6.777 102 H GLY 13 H GLY 13 -4.099 18.903 -4.975 103 HA2 GLY 13 2HA GLY 13 -2.851 21.416 -4.256 104 HA3 GLY 13 1HA GLY 13 -2.778 19.911 -3.350 105 H SER 14 H SER 14 -1.473 21.622 -6.150 106 HA SER 14 HA SER 14 1.118 20.426 -5.665 107 HB2 SER 14 2HB SER 14 -0.422 19.036 -7.378 108 HB3 SER 14 1HB SER 14 0.264 20.208 -8.504 109 HG SER 14 HG SER 14 1.404 18.032 -7.619 110 H SER 15 H SER 15 2.454 21.175 -7.925 111 HA SER 15 HA SER 15 3.507 22.936 -8.896 112 HB2 SER 15 2HB SER 15 0.898 23.210 -9.599 113 HB3 SER 15 1HB SER 15 1.171 24.749 -8.784 114 HG SER 15 HG SER 15 1.983 23.959 -11.222 115 H GLY 16 H GLY 16 3.880 22.727 -6.176 116 HA2 GLY 16 2HA GLY 16 5.211 24.266 -4.878 117 HA3 GLY 16 1HA GLY 16 4.148 25.561 -5.409 118 H SER 17 H SER 17 1.794 25.276 -4.723 119 HA SER 17 HA SER 17 0.216 25.123 -3.099 120 HB2 SER 17 2HB SER 17 1.578 22.641 -2.983 121 HB3 SER 17 1HB SER 17 1.334 23.162 -1.317 122 HG SER 17 HG SER 17 -0.483 22.279 -3.147 123 H SER 18 H SER 18 3.093 24.278 -1.164 124 HA SER 18 HA SER 18 2.767 26.815 0.302 125 HB2 SER 18 2HB SER 18 3.789 24.354 1.686 126 HB3 SER 18 1HB SER 18 2.999 25.772 2.372 127 HG SER 18 HG SER 18 1.867 23.545 1.085 128 H GLN 19 H GLN 19 4.676 25.604 -1.885 129 HA GLN 19 HA GLN 19 6.866 25.727 -2.475 130 HB2 GLN 19 2HB GLN 19 6.609 27.973 -0.492 131 HB3 GLN 19 1HB GLN 19 8.139 27.645 -1.295 132 HG2 GLN 19 2HG GLN 19 7.050 29.345 -2.530 133 HG3 GLN 19 1HG GLN 19 6.939 27.865 -3.480 134 HE21 GLN 19 1HE2 GLN 19 5.073 29.394 -0.856 135 HE22 GLN 19 2HE2 GLN 19 3.535 29.206 -1.620 136 H SER 20 H SER 20 6.146 23.850 -0.327 137 HA SER 20 HA SER 20 8.734 22.985 0.393 138 HB2 SER 20 2HB SER 20 8.412 24.916 2.009 139 HB3 SER 20 1HB SER 20 7.113 23.979 2.748 140 HG SER 20 HG SER 20 8.756 23.265 3.895 141 H LEU 21 H LEU 21 8.248 20.935 -0.153 142 HA LEU 21 HA LEU 21 6.278 19.525 1.488 143 HB2 LEU 21 2HB LEU 21 6.282 19.706 -1.502 144 HB3 LEU 21 1HB LEU 21 5.696 18.252 -0.717 145 HG LEU 21 HG LEU 21 4.311 20.173 0.636 146 HD11 LEU 21 1HD1 LEU 21 4.449 21.094 -2.230 147 HD12 LEU 21 2HD1 LEU 21 5.204 21.921 -0.868 148 HD13 LEU 21 3HD1 LEU 21 3.449 21.771 -0.944 149 HD21 LEU 21 3HD2 LEU 21 3.497 18.800 -1.922 150 HD22 LEU 21 1HD2 LEU 21 2.404 19.478 -0.714 151 HD23 LEU 21 2HD2 LEU 21 3.426 18.099 -0.305 152 H ILE 22 H ILE 22 6.978 17.599 2.177 153 HA ILE 22 HA ILE 22 9.118 16.230 0.722 154 HB ILE 22 HB ILE 22 10.275 15.743 2.915 155 HG12 ILE 22 2HG1 ILE 22 9.630 18.080 4.344 156 HG13 ILE 22 1HG1 ILE 22 8.077 17.355 3.903 157 HG21 ILE 22 1HG2 ILE 22 11.730 17.441 2.543 158 HG22 ILE 22 2HG2 ILE 22 10.466 18.670 2.521 159 HG23 ILE 22 3HG2 ILE 22 10.730 17.652 1.106 160 HD11 ILE 22 3HD1 ILE 22 10.206 16.352 5.706 161 HD12 ILE 22 1HD1 ILE 22 9.258 15.170 4.802 162 HD13 ILE 22 2HD1 ILE 22 8.451 16.309 5.881 163 H ASP 23 H ASP 23 8.087 14.403 0.182 164 HA ASP 23 HA ASP 23 7.344 12.542 2.239 165 HB2 ASP 23 2HB ASP 23 5.296 14.070 1.857 166 HB3 ASP 23 1HB ASP 23 5.137 13.245 0.310 167 H GLU 24 H GLU 24 7.248 10.409 1.507 168 HA GLU 24 HA GLU 24 7.710 9.978 -1.366 169 HB2 GLU 24 2HB GLU 24 9.741 9.804 0.401 170 HB3 GLU 24 1HB GLU 24 9.121 8.161 0.500 171 HG2 GLU 24 2HG GLU 24 9.495 7.784 -1.808 172 HG3 GLU 24 1HG GLU 24 9.825 9.493 -2.099 173 H ASP 25 H ASP 25 5.813 9.068 -1.902 174 HA ASP 25 HA ASP 25 4.429 7.194 -0.247 175 HB2 ASP 25 2HB ASP 25 4.040 8.029 -3.126 176 HB3 ASP 25 1HB ASP 25 2.959 6.936 -2.273 177 H ALA 26 H ALA 26 3.603 5.111 -1.520 178 HA ALA 26 HA ALA 26 6.016 3.569 -2.131 179 HB1 ALA 26 1HB ALA 26 5.004 1.764 -1.221 180 HB2 ALA 26 2HB ALA 26 3.426 2.172 -1.893 181 HB3 ALA 26 3HB ALA 26 4.001 2.985 -0.438 182 H VAL 27 H VAL 27 5.534 1.670 -3.748 183 HA VAL 27 HA VAL 27 4.053 2.744 -6.055 184 HB VAL 27 HB VAL 27 5.850 1.587 -7.483 185 HG11 VAL 27 1HG1 VAL 27 7.238 3.583 -7.501 186 HG12 VAL 27 2HG1 VAL 27 6.601 4.061 -5.927 187 HG13 VAL 27 3HG1 VAL 27 5.537 4.019 -7.332 188 HG21 VAL 27 3HG2 VAL 27 6.838 0.532 -5.315 189 HG22 VAL 27 1HG2 VAL 27 7.666 2.081 -5.157 190 HG23 VAL 27 2HG2 VAL 27 7.925 1.083 -6.588 191 H CYS 28 H CYS 28 2.415 1.440 -6.490 192 HA CYS 28 HA CYS 28 2.143 -1.163 -5.514 193 HB2 CYS 28 2HB CYS 28 0.184 0.081 -6.033 194 HB3 CYS 28 1HB CYS 28 0.692 0.299 -7.713 195 H SER 29 H SER 29 2.105 -3.181 -6.579 196 HA SER 29 HA SER 29 4.047 -3.366 -8.768 197 HB2 SER 29 2HB SER 29 4.195 -4.654 -6.486 198 HB3 SER 29 1HB SER 29 3.045 -5.750 -7.254 199 HG SER 29 HG SER 29 5.174 -6.422 -7.642 200 H ILE 30 H ILE 30 0.722 -4.246 -7.920 201 HA ILE 30 HA ILE 30 0.242 -5.931 -10.146 202 HB ILE 30 HB ILE 30 -1.576 -4.412 -8.290 203 HG12 ILE 30 2HG1 ILE 30 -2.256 -7.048 -8.148 204 HG13 ILE 30 1HG1 ILE 30 -0.538 -7.167 -8.552 205 HG21 ILE 30 1HG2 ILE 30 -2.730 -4.369 -10.401 206 HG22 ILE 30 2HG2 ILE 30 -3.489 -5.580 -9.363 207 HG23 ILE 30 3HG2 ILE 30 -2.405 -6.086 -10.659 208 HD11 ILE 30 3HD1 ILE 30 0.070 -6.601 -6.494 209 HD12 ILE 30 1HD1 ILE 30 -1.614 -6.859 -6.038 210 HD13 ILE 30 2HD1 ILE 30 -1.049 -5.238 -6.444 211 H CYS 31 H CYS 31 0.196 -2.462 -9.718 212 HA CYS 31 HA CYS 31 -0.356 -2.152 -12.573 213 HB2 CYS 31 2HB CYS 31 -2.093 -0.613 -12.272 214 HB3 CYS 31 1HB CYS 31 -2.424 -1.850 -11.055 215 H MET 32 H MET 32 0.401 -0.159 -13.480 216 HA MET 32 HA MET 32 2.698 0.917 -12.021 217 HB2 MET 32 2HB MET 32 1.907 0.848 -14.918 218 HB3 MET 32 1HB MET 32 3.101 2.010 -14.359 219 HG2 MET 32 2HG MET 32 4.564 0.395 -14.822 220 HG3 MET 32 1HG MET 32 4.065 -0.271 -13.268 221 HE1 MET 32 3HE MET 32 4.862 -2.992 -15.858 222 HE2 MET 32 1HE MET 32 5.450 -1.334 -15.736 223 HE3 MET 32 2HE MET 32 4.424 -1.809 -17.090 224 H ASP 33 H ASP 33 0.082 1.752 -11.201 225 HA ASP 33 HA ASP 33 -1.128 3.601 -10.680 226 HB2 ASP 33 2HB ASP 33 1.399 5.123 -11.352 227 HB3 ASP 33 1HB ASP 33 0.095 5.638 -10.272 228 H GLY 34 H GLY 34 -1.205 2.702 -13.460 229 HA2 GLY 34 2HA GLY 34 -1.470 5.204 -14.963 230 HA3 GLY 34 1HA GLY 34 -1.526 3.572 -15.639 231 H GLU 35 H GLU 35 -3.431 2.665 -13.551 232 HA GLU 35 HA GLU 35 -5.792 4.275 -13.883 233 HB2 GLU 35 2HB GLU 35 -7.088 2.457 -15.009 234 HB3 GLU 35 1HB GLU 35 -5.859 3.202 -16.020 235 HG2 GLU 35 2HG GLU 35 -4.561 1.057 -14.833 236 HG3 GLU 35 1HG GLU 35 -6.170 0.446 -15.207 237 H SER 36 H SER 36 -5.758 4.250 -11.613 238 HA SER 36 HA SER 36 -6.640 1.702 -10.425 239 HB2 SER 36 2HB SER 36 -5.208 3.630 -8.674 240 HB3 SER 36 1HB SER 36 -5.183 1.868 -8.667 241 HG SER 36 HG SER 36 -3.224 3.107 -9.412 242 H GLN 37 H GLN 37 -8.405 3.651 -11.452 243 HA GLN 37 HA GLN 37 -10.343 4.710 -10.882 244 HB2 GLN 37 2HB GLN 37 -10.465 2.790 -9.228 245 HB3 GLN 37 1HB GLN 37 -9.782 3.889 -8.024 246 HG2 GLN 37 2HG GLN 37 -11.687 5.298 -8.112 247 HG3 GLN 37 1HG GLN 37 -12.319 4.467 -9.532 248 HE21 GLN 37 1HE2 GLN 37 -11.175 3.560 -6.282 249 HE22 GLN 37 2HE2 GLN 37 -12.517 2.536 -5.917 250 H ASN 38 H ASN 38 -11.201 6.610 -9.626 251 HA ASN 38 HA ASN 38 -9.408 8.740 -9.644 252 HB2 ASN 38 2HB ASN 38 -12.187 8.324 -8.751 253 HB3 ASN 38 1HB ASN 38 -11.346 9.650 -7.951 254 HD21 ASN 38 1HD2 ASN 38 -11.509 11.541 -8.915 255 HD22 ASN 38 2HD2 ASN 38 -11.784 11.805 -10.600 256 H SER 39 H SER 39 -10.503 6.722 -6.943 257 HA SER 39 HA SER 39 -8.296 7.801 -5.323 258 HB2 SER 39 2HB SER 39 -10.363 8.748 -4.444 259 HB3 SER 39 1HB SER 39 -11.092 7.139 -4.356 260 HG SER 39 HG SER 39 -8.738 7.882 -2.950 261 H ASN 40 H ASN 40 -6.932 6.284 -4.652 262 HA ASN 40 HA ASN 40 -7.899 3.523 -4.332 263 HB2 ASN 40 2HB ASN 40 -5.634 2.790 -5.253 264 HB3 ASN 40 1HB ASN 40 -6.780 3.434 -6.420 265 HD21 ASN 40 1HD2 ASN 40 -3.968 4.266 -4.458 266 HD22 ASN 40 2HD2 ASN 40 -3.376 5.498 -5.513 267 H VAL 41 H VAL 41 -6.390 2.161 -3.040 268 HA VAL 41 HA VAL 41 -4.856 3.740 -1.088 269 HB VAL 41 HB VAL 41 -5.616 2.089 0.676 270 HG11 VAL 41 1HG1 VAL 41 -8.084 3.468 -0.108 271 HG12 VAL 41 2HG1 VAL 41 -6.645 4.487 -0.079 272 HG13 VAL 41 3HG1 VAL 41 -7.124 3.599 1.366 273 HG21 VAL 41 3HG2 VAL 41 -7.608 1.406 -1.478 274 HG22 VAL 41 1HG2 VAL 41 -7.866 1.054 0.230 275 HG23 VAL 41 2HG2 VAL 41 -6.513 0.317 -0.627 276 H ILE 42 H ILE 42 -2.803 3.138 -1.149 277 HA ILE 42 HA ILE 42 -2.068 0.506 -2.138 278 HB ILE 42 HB ILE 42 -0.865 2.683 -2.761 279 HG12 ILE 42 2HG1 ILE 42 1.316 0.970 -1.864 280 HG13 ILE 42 1HG1 ILE 42 -0.007 0.037 -2.579 281 HG21 ILE 42 1HG2 ILE 42 0.721 2.258 -0.261 282 HG22 ILE 42 2HG2 ILE 42 -0.696 3.309 -0.259 283 HG23 ILE 42 3HG2 ILE 42 0.664 3.663 -1.325 284 HD11 ILE 42 3HD1 ILE 42 1.627 0.590 -4.254 285 HD12 ILE 42 1HD1 ILE 42 1.492 2.305 -3.871 286 HD13 ILE 42 2HD1 ILE 42 0.124 1.450 -4.586 287 H LEU 43 H LEU 43 -0.554 -0.879 -0.946 288 HA LEU 43 HA LEU 43 -0.698 -0.515 1.965 289 HB2 LEU 43 2HB LEU 43 -1.293 -3.031 0.414 290 HB3 LEU 43 1HB LEU 43 -1.021 -2.997 2.147 291 HG LEU 43 HG LEU 43 -3.235 -1.534 0.715 292 HD11 LEU 43 1HD1 LEU 43 -3.771 -3.816 0.586 293 HD12 LEU 43 2HD1 LEU 43 -4.654 -3.205 1.986 294 HD13 LEU 43 3HD1 LEU 43 -3.170 -4.131 2.214 295 HD21 LEU 43 3HD2 LEU 43 -2.393 -1.723 3.581 296 HD22 LEU 43 1HD2 LEU 43 -4.072 -1.411 3.147 297 HD23 LEU 43 2HD2 LEU 43 -2.808 -0.296 2.632 298 H PHE 44 H PHE 44 1.185 -0.658 2.926 299 HA PHE 44 HA PHE 44 3.425 -1.904 1.475 300 HB2 PHE 44 2HB PHE 44 3.255 0.636 2.443 301 HB3 PHE 44 1HB PHE 44 4.010 -0.183 3.806 302 HD1 PHE 44 1HD PHE 44 4.370 -0.511 0.111 303 HD2 PHE 44 2HD PHE 44 6.260 0.268 3.845 304 HE1 PHE 44 1HE PHE 44 6.553 -0.364 -1.023 305 HE2 PHE 44 2HE PHE 44 8.441 0.416 2.717 306 HZ PHE 44 HZ PHE 44 8.589 0.101 0.279 307 H CYS 45 H CYS 45 4.578 -3.565 2.403 308 HA CYS 45 HA CYS 45 3.378 -4.926 4.594 309 HB2 CYS 45 2HB CYS 45 4.759 -5.961 2.699 310 HB3 CYS 45 1HB CYS 45 6.181 -5.456 3.626 311 H ASP 46 H ASP 46 4.215 -5.355 6.686 312 HA ASP 46 HA ASP 46 5.513 -3.056 7.855 313 HB2 ASP 46 2HB ASP 46 3.541 -4.529 8.800 314 HB3 ASP 46 1HB ASP 46 4.867 -5.497 9.457 315 H MET 47 H MET 47 6.586 -6.089 6.659 316 HA MET 47 HA MET 47 9.179 -5.643 7.978 317 HB2 MET 47 2HB MET 47 7.495 -7.837 8.445 318 HB3 MET 47 1HB MET 47 8.726 -8.440 7.334 319 HG2 MET 47 2HG MET 47 9.500 -6.890 9.770 320 HG3 MET 47 1HG MET 47 9.118 -8.607 9.877 321 HE1 MET 47 3HE MET 47 11.330 -5.880 9.054 322 HE2 MET 47 1HE MET 47 12.819 -6.559 8.398 323 HE3 MET 47 2HE MET 47 12.416 -6.797 10.098 324 H CYS 48 H CYS 48 7.710 -5.241 5.254 325 HA CYS 48 HA CYS 48 9.997 -5.939 3.616 326 HB2 CYS 48 2HB CYS 48 7.194 -6.766 2.838 327 HB3 CYS 48 1HB CYS 48 8.694 -7.131 2.000 328 H ASN 49 H ASN 49 9.205 -5.278 1.192 329 HA ASN 49 HA ASN 49 8.179 -2.534 1.417 330 HB2 ASN 49 2HB ASN 49 10.236 -3.770 -0.404 331 HB3 ASN 49 1HB ASN 49 9.410 -2.269 -0.848 332 HD21 ASN 49 1HD2 ASN 49 11.519 -3.788 1.514 333 HD22 ASN 49 2HD2 ASN 49 12.203 -2.322 2.119 334 H LEU 50 H LEU 50 6.789 -5.255 0.922 335 HA LEU 50 HA LEU 50 5.846 -5.284 -1.731 336 HB2 LEU 50 2HB LEU 50 5.640 -7.228 -0.282 337 HB3 LEU 50 1HB LEU 50 4.567 -6.338 0.800 338 HG LEU 50 HG LEU 50 3.164 -6.110 -1.480 339 HD11 LEU 50 1HD1 LEU 50 4.413 -8.833 -1.734 340 HD12 LEU 50 2HD1 LEU 50 4.904 -7.441 -2.699 341 HD13 LEU 50 3HD1 LEU 50 3.258 -8.061 -2.820 342 HD21 LEU 50 3HD2 LEU 50 2.778 -7.280 0.897 343 HD22 LEU 50 1HD2 LEU 50 2.823 -8.714 -0.130 344 HD23 LEU 50 2HD2 LEU 50 1.653 -7.436 -0.451 345 H ALA 51 H ALA 51 5.151 -3.343 -2.466 346 HA ALA 51 HA ALA 51 3.002 -1.992 -0.999 347 HB1 ALA 51 1HB ALA 51 3.966 -0.570 -3.331 348 HB2 ALA 51 2HB ALA 51 5.281 -0.985 -2.233 349 HB3 ALA 51 3HB ALA 51 3.902 -0.056 -1.647 350 H VAL 52 H VAL 52 1.046 -2.764 -1.624 351 HA VAL 52 HA VAL 52 0.385 -2.672 -4.469 352 HB VAL 52 HB VAL 52 -0.795 -4.884 -4.323 353 HG11 VAL 52 1HG1 VAL 52 2.205 -4.847 -4.049 354 HG12 VAL 52 2HG1 VAL 52 1.262 -4.752 -5.536 355 HG13 VAL 52 3HG1 VAL 52 1.274 -6.242 -4.594 356 HG21 VAL 52 3HG2 VAL 52 0.927 -5.892 -2.193 357 HG22 VAL 52 1HG2 VAL 52 -0.789 -6.166 -2.491 358 HG23 VAL 52 2HG2 VAL 52 -0.264 -4.719 -1.632 359 H HIS 53 H HIS 53 -1.661 -1.917 -4.835 360 HA HIS 53 HA HIS 53 -3.182 -0.886 -2.689 361 HB2 HIS 53 2HB HIS 53 -4.193 -1.510 -5.476 362 HB3 HIS 53 1HB HIS 53 -4.935 -0.420 -4.319 363 HD2 HIS 53 2HD HIS 53 -3.330 1.946 -3.796 364 HE1 HIS 53 1HE HIS 53 -1.450 1.635 -7.576 365 HE2 HIS 53 2HE HIS 53 -1.758 3.085 -5.518 366 H GLN 54 H GLN 54 -4.969 -1.674 -1.593 367 HA GLN 54 HA GLN 54 -5.235 -4.467 -1.317 368 HB2 GLN 54 2HB GLN 54 -7.122 -3.999 0.133 369 HB3 GLN 54 1HB GLN 54 -5.821 -2.867 0.463 370 HG2 GLN 54 2HG GLN 54 -7.326 -1.252 0.300 371 HG3 GLN 54 1HG GLN 54 -7.366 -1.575 -1.441 372 HE21 GLN 54 1HE2 GLN 54 -8.895 -2.295 1.642 373 HE22 GLN 54 2HE2 GLN 54 -10.417 -2.778 0.986 374 H GLU 55 H GLU 55 -6.589 -2.308 -3.605 375 HA GLU 55 HA GLU 55 -8.812 -4.055 -4.306 376 HB2 GLU 55 2HB GLU 55 -8.829 -1.460 -4.327 377 HB3 GLU 55 1HB GLU 55 -7.939 -1.615 -5.835 378 HG2 GLU 55 2HG GLU 55 -9.735 -2.715 -6.897 379 HG3 GLU 55 1HG GLU 55 -10.581 -2.962 -5.370 380 H CYS 56 H CYS 56 -5.591 -3.276 -5.221 381 HA CYS 56 HA CYS 56 -5.638 -4.410 -7.843 382 HB2 CYS 56 2HB CYS 56 -3.839 -2.905 -6.172 383 HB3 CYS 56 1HB CYS 56 -3.010 -4.279 -6.843 384 H TYR 57 H TYR 57 -4.600 -5.411 -4.612 385 HA TYR 57 HA TYR 57 -3.641 -7.958 -5.554 386 HB2 TYR 57 2HB TYR 57 -2.805 -6.536 -3.512 387 HB3 TYR 57 1HB TYR 57 -4.100 -7.366 -2.656 388 HD1 TYR 57 1HD TYR 57 -4.079 -9.899 -2.599 389 HD2 TYR 57 2HD TYR 57 -0.750 -7.608 -3.932 390 HE1 TYR 57 1HE TYR 57 -2.614 -11.842 -2.261 391 HE2 TYR 57 2HE TYR 57 0.725 -9.547 -3.597 392 HH TYR 57 HH TYR 57 -0.152 -12.244 -1.829 393 H GLY 58 H GLY 58 -6.540 -6.685 -4.046 394 HA2 GLY 58 2HA GLY 58 -8.665 -7.718 -4.278 395 HA3 GLY 58 1HA GLY 58 -7.855 -9.275 -4.489 396 H VAL 59 H VAL 59 -7.160 -6.941 -1.934 397 HA VAL 59 HA VAL 59 -7.461 -8.937 0.091 398 HB VAL 59 HB VAL 59 -7.130 -5.951 0.447 399 HG11 VAL 59 1HG1 VAL 59 -5.969 -6.930 2.599 400 HG12 VAL 59 2HG1 VAL 59 -7.060 -8.282 2.295 401 HG13 VAL 59 3HG1 VAL 59 -7.711 -6.661 2.541 402 HG21 VAL 59 3HG2 VAL 59 -4.863 -7.869 0.704 403 HG22 VAL 59 1HG2 VAL 59 -4.851 -6.158 0.279 404 HG23 VAL 59 2HG2 VAL 59 -5.362 -7.357 -0.908 405 HA PRO 60 HA PRO 60 -11.865 -8.367 0.595 406 HB2 PRO 60 2HB PRO 60 -12.110 -9.850 2.886 407 HB3 PRO 60 1HB PRO 60 -12.016 -10.547 1.261 408 HG2 PRO 60 2HG PRO 60 -9.868 -10.240 3.321 409 HG3 PRO 60 1HG PRO 60 -10.206 -11.611 2.249 410 HD2 PRO 60 2HD PRO 60 -8.228 -9.848 1.744 411 HD3 PRO 60 1HD PRO 60 -9.157 -10.622 0.444 412 H TYR 61 H TYR 61 -9.803 -8.151 3.519 413 HA TYR 61 HA TYR 61 -11.103 -5.620 4.177 414 HB2 TYR 61 2HB TYR 61 -12.346 -7.372 5.410 415 HB3 TYR 61 1HB TYR 61 -10.833 -7.889 6.168 416 HD1 TYR 61 1HD TYR 61 -12.676 -4.665 5.643 417 HD2 TYR 61 2HD TYR 61 -10.550 -7.176 8.341 418 HE1 TYR 61 1HE TYR 61 -13.018 -3.018 7.435 419 HE2 TYR 61 2HE TYR 61 -10.888 -5.537 10.143 420 HH TYR 61 HH TYR 61 -13.038 -3.368 10.283 421 H ILE 62 H ILE 62 -9.890 -4.290 5.621 422 HA ILE 62 HA ILE 62 -7.022 -4.796 5.457 423 HB ILE 62 HB ILE 62 -8.423 -2.293 6.404 424 HG12 ILE 62 2HG1 ILE 62 -7.262 -2.833 3.663 425 HG13 ILE 62 1HG1 ILE 62 -8.979 -2.940 4.036 426 HG21 ILE 62 1HG2 ILE 62 -6.208 -2.260 7.189 427 HG22 ILE 62 2HG2 ILE 62 -6.191 -1.281 5.722 428 HG23 ILE 62 3HG2 ILE 62 -5.577 -2.934 5.687 429 HD11 ILE 62 3HD1 ILE 62 -8.967 -0.823 3.283 430 HD12 ILE 62 1HD1 ILE 62 -7.263 -0.580 3.666 431 HD13 ILE 62 2HD1 ILE 62 -8.477 -0.469 4.940 432 HA PRO 63 HA PRO 63 -7.224 -6.366 9.704 433 HB2 PRO 63 2HB PRO 63 -4.275 -6.187 9.302 434 HB3 PRO 63 1HB PRO 63 -5.253 -7.538 9.907 435 HG2 PRO 63 2HG PRO 63 -4.254 -7.588 7.442 436 HG3 PRO 63 1HG PRO 63 -5.887 -8.199 7.772 437 HD2 PRO 63 2HD PRO 63 -5.044 -5.621 6.515 438 HD3 PRO 63 1HD PRO 63 -6.416 -6.674 6.121 439 H GLU 64 H GLU 64 -6.773 -5.501 11.745 440 HA GLU 64 HA GLU 64 -5.982 -2.681 11.739 441 HB2 GLU 64 2HB GLU 64 -7.699 -4.381 13.491 442 HB3 GLU 64 1HB GLU 64 -6.903 -2.990 14.213 443 HG2 GLU 64 2HG GLU 64 -8.257 -2.408 11.688 444 HG3 GLU 64 1HG GLU 64 -9.326 -2.954 12.979 445 H GLY 65 H GLY 65 -4.018 -4.876 11.586 446 HA2 GLY 65 2HA GLY 65 -2.444 -4.112 13.938 447 HA3 GLY 65 1HA GLY 65 -2.639 -5.818 13.572 448 H GLN 66 H GLN 66 -0.674 -6.463 12.933 449 HA GLN 66 HA GLN 66 0.938 -4.795 11.179 450 HB2 GLN 66 2HB GLN 66 1.404 -7.350 12.685 451 HB3 GLN 66 1HB GLN 66 2.492 -6.884 11.385 452 HG2 GLN 66 2HG GLN 66 3.572 -5.988 13.179 453 HG3 GLN 66 1HG GLN 66 2.586 -4.615 12.680 454 HE21 GLN 66 1HE2 GLN 66 0.740 -4.082 13.897 455 HE22 GLN 66 2HE2 GLN 66 0.564 -4.605 15.535 456 H TRP 67 H TRP 67 1.528 -5.305 9.087 457 HA TRP 67 HA TRP 67 -0.101 -7.396 7.809 458 HB2 TRP 67 2HB TRP 67 -0.429 -4.980 7.090 459 HB3 TRP 67 1HB TRP 67 1.191 -5.055 6.403 460 HD1 TRP 67 HD TRP 67 -1.600 -7.738 6.170 461 HE1 TRP 67 1HE TRP 67 -2.057 -8.197 3.682 462 HE3 TRP 67 3HE TRP 67 1.522 -4.254 4.112 463 HZ2 TRP 67 2HZ TRP 67 -1.211 -7.211 1.175 464 HZ3 TRP 67 3HZ TRP 67 1.641 -4.078 1.663 465 HH2 TRP 67 HH TRP 67 0.303 -5.526 0.225 466 H LEU 68 H LEU 68 1.028 -9.193 7.510 467 HA LEU 68 HA LEU 68 3.816 -8.976 6.568 468 HB2 LEU 68 2HB LEU 68 2.499 -11.097 8.267 469 HB3 LEU 68 1HB LEU 68 4.018 -11.367 7.439 470 HG LEU 68 HG LEU 68 4.126 -10.754 9.909 471 HD11 LEU 68 1HD1 LEU 68 6.137 -9.395 9.596 472 HD12 LEU 68 2HD1 LEU 68 5.680 -9.115 7.915 473 HD13 LEU 68 3HD1 LEU 68 6.073 -10.746 8.464 474 HD21 LEU 68 3HD2 LEU 68 3.849 -8.544 10.604 475 HD22 LEU 68 1HD2 LEU 68 2.442 -8.849 9.586 476 HD23 LEU 68 2HD2 LEU 68 3.808 -7.931 8.951 477 H CYS 69 H CYS 69 3.760 -9.253 4.413 478 HA CYS 69 HA CYS 69 1.782 -10.578 2.965 479 HB2 CYS 69 2HB CYS 69 3.306 -10.471 1.058 480 HB3 CYS 69 1HB CYS 69 3.347 -8.956 1.965 481 H ARG 70 H ARG 70 1.985 -12.558 1.686 482 HA ARG 70 HA ARG 70 2.307 -14.820 3.176 483 HB2 ARG 70 2HB ARG 70 1.543 -14.264 0.599 484 HB3 ARG 70 1HB ARG 70 2.970 -15.265 0.366 485 HG2 ARG 70 2HG ARG 70 1.639 -17.020 0.621 486 HG3 ARG 70 1HG ARG 70 1.543 -16.592 2.330 487 HD2 ARG 70 2HD ARG 70 -0.255 -15.015 0.679 488 HD3 ARG 70 1HD ARG 70 -0.566 -16.743 0.552 489 HE ARG 70 HE ARG 70 -0.279 -15.816 3.258 490 HH11 ARG 70 1HH1 ARG 70 -2.533 -16.269 0.614 491 HH12 ARG 70 2HH1 ARG 70 -3.922 -16.321 1.645 492 HH21 ARG 70 1HH2 ARG 70 -2.116 -15.876 4.611 493 HH22 ARG 70 2HH2 ARG 70 -3.686 -16.096 3.914 494 H HIS 71 H HIS 71 4.899 -13.066 1.581 495 HA HIS 71 HA HIS 71 6.735 -15.251 1.561 496 HB2 HIS 71 2HB HIS 71 6.817 -13.132 0.123 497 HB3 HIS 71 1HB HIS 71 7.483 -12.331 1.542 498 HD1 HIS 71 1HD HIS 71 8.268 -15.388 -0.588 499 HD2 HIS 71 2HD HIS 71 10.180 -12.462 1.659 500 HE1 HIS 71 1HE HIS 71 10.728 -15.793 -0.912 501 HE2 HIS 71 2HE HIS 71 11.863 -13.952 0.381 502 H CYS 72 H CYS 72 6.257 -12.446 3.687 503 HA CYS 72 HA CYS 72 8.348 -13.328 5.460 504 HB2 CYS 72 2HB CYS 72 7.727 -11.379 6.799 505 HB3 CYS 72 1HB CYS 72 8.039 -10.981 5.102 506 H LEU 73 H LEU 73 4.789 -13.105 5.628 507 HA LEU 73 HA LEU 73 4.528 -14.055 8.253 508 HB2 LEU 73 2HB LEU 73 2.249 -14.406 7.810 509 HB3 LEU 73 1HB LEU 73 2.710 -13.045 6.810 510 HG LEU 73 HG LEU 73 2.997 -14.832 4.935 511 HD11 LEU 73 1HD1 LEU 73 1.015 -16.548 5.460 512 HD12 LEU 73 2HD1 LEU 73 1.656 -16.348 7.091 513 HD13 LEU 73 3HD1 LEU 73 2.709 -16.908 5.792 514 HD21 LEU 73 3HD2 LEU 73 0.601 -13.485 5.996 515 HD22 LEU 73 1HD2 LEU 73 0.309 -14.762 4.817 516 HD23 LEU 73 2HD2 LEU 73 1.342 -13.397 4.399 517 H GLN 74 H GLN 74 5.337 -15.665 5.295 518 HA GLN 74 HA GLN 74 4.752 -18.324 6.303 519 HB2 GLN 74 2HB GLN 74 4.544 -17.858 3.905 520 HB3 GLN 74 1HB GLN 74 6.248 -17.432 3.832 521 HG2 GLN 74 2HG GLN 74 6.408 -19.558 3.097 522 HG3 GLN 74 1HG GLN 74 6.497 -19.883 4.827 523 HE21 GLN 74 1HE2 GLN 74 5.515 -21.795 5.040 524 HE22 GLN 74 2HE2 GLN 74 3.913 -22.153 4.503 525 H SER 75 H SER 75 7.541 -16.211 5.858 526 HA SER 75 HA SER 75 9.611 -18.006 6.399 527 HB2 SER 75 2HB SER 75 9.290 -15.039 6.669 528 HB3 SER 75 1HB SER 75 10.705 -15.808 7.392 529 HG SER 75 HG SER 75 11.497 -15.710 5.453 530 H ARG 76 H ARG 76 7.643 -16.043 8.615 531 HA ARG 76 HA ARG 76 8.941 -17.292 10.920 532 HB2 ARG 76 2HB ARG 76 7.693 -15.660 12.270 533 HB3 ARG 76 1HB ARG 76 8.659 -14.881 11.026 534 HG2 ARG 76 2HG ARG 76 6.823 -13.744 10.504 535 HG3 ARG 76 1HG ARG 76 6.215 -15.243 9.800 536 HD2 ARG 76 2HD ARG 76 4.700 -15.523 11.426 537 HD3 ARG 76 1HD ARG 76 5.850 -15.094 12.691 538 HE ARG 76 HE ARG 76 3.937 -13.364 11.424 539 HH11 ARG 76 1HH1 ARG 76 6.976 -13.476 13.165 540 HH12 ARG 76 2HH1 ARG 76 6.847 -11.850 13.745 541 HH21 ARG 76 1HH2 ARG 76 3.777 -11.216 12.183 542 HH22 ARG 76 2HH2 ARG 76 5.029 -10.565 13.187 543 H ALA 77 H ALA 77 6.289 -17.938 8.961 544 HA ALA 77 HA ALA 77 4.255 -18.649 10.730 545 HB1 ALA 77 1HB ALA 77 3.513 -18.724 8.570 546 HB2 ALA 77 2HB ALA 77 3.809 -20.443 8.826 547 HB3 ALA 77 3HB ALA 77 4.996 -19.464 7.967 548 H ARG 78 H ARG 78 6.879 -20.691 9.421 549 HA ARG 78 HA ARG 78 6.150 -22.966 10.976 550 HB2 ARG 78 2HB ARG 78 8.123 -22.336 8.965 551 HB3 ARG 78 1HB ARG 78 8.867 -23.220 10.291 552 HG2 ARG 78 2HG ARG 78 6.633 -24.688 9.923 553 HG3 ARG 78 1HG ARG 78 6.919 -24.113 8.279 554 HD2 ARG 78 2HD ARG 78 8.119 -26.098 8.365 555 HD3 ARG 78 1HD ARG 78 9.349 -24.874 8.673 556 HE ARG 78 HE ARG 78 8.500 -25.577 11.158 557 HH11 ARG 78 1HH1 ARG 78 9.734 -27.389 8.426 558 HH12 ARG 78 2HH1 ARG 78 10.429 -28.632 9.408 559 HH21 ARG 78 1HH2 ARG 78 9.426 -27.220 12.447 560 HH22 ARG 78 2HH2 ARG 78 10.255 -28.537 11.689 561 HA PRO 79 HA PRO 79 10.119 -21.630 13.627 562 HB2 PRO 79 2HB PRO 79 9.849 -18.702 13.149 563 HB3 PRO 79 1HB PRO 79 11.307 -19.673 13.375 564 HG2 PRO 79 2HG PRO 79 10.629 -18.803 10.964 565 HG3 PRO 79 1HG PRO 79 11.290 -20.435 11.178 566 HD2 PRO 79 2HD PRO 79 8.469 -19.575 10.709 567 HD3 PRO 79 1HD PRO 79 9.330 -21.001 10.097 568 H ALA 80 H ALA 80 10.163 -20.545 15.755 569 HA ALA 80 HA ALA 80 7.738 -19.226 16.640 570 HB1 ALA 80 1HB ALA 80 8.348 -21.482 18.400 571 HB2 ALA 80 2HB ALA 80 7.769 -21.958 16.804 572 HB3 ALA 80 3HB ALA 80 6.797 -20.887 17.812 Start of MODEL 2 1 H1 ALA 1 1HT ALA 1 -3.129 -2.008 9.264 2 H2 ALA 1 2HT ALA 1 -1.699 -2.255 10.180 3 H3 ALA 1 3HT ALA 1 -2.525 -3.596 9.498 4 HA ALA 1 HA ALA 1 -0.447 -2.772 8.379 5 HB1 ALA 1 2HB ALA 1 -2.979 -3.056 6.761 6 HB2 ALA 1 3HB ALA 1 -2.033 -4.391 7.419 7 HB3 ALA 1 1HB ALA 1 -1.331 -3.333 6.196 8 H ARG 2 H ARG 2 0.496 -1.213 7.128 9 HA ARG 2 HA ARG 2 -0.532 1.444 7.367 10 HB2 ARG 2 2HB ARG 2 1.876 0.320 5.933 11 HB3 ARG 2 1HB ARG 2 1.492 2.032 5.960 12 HG2 ARG 2 2HG ARG 2 3.026 1.851 7.667 13 HG3 ARG 2 1HG ARG 2 1.495 1.745 8.538 14 HD2 ARG 2 2HD ARG 2 2.103 -0.228 9.366 15 HD3 ARG 2 1HD ARG 2 2.223 -0.881 7.734 16 HE ARG 2 HE ARG 2 4.385 -0.097 9.450 17 HH11 ARG 2 1HH1 ARG 2 3.421 -0.571 6.116 18 HH12 ARG 2 2HH1 ARG 2 5.039 -0.807 5.554 19 HH21 ARG 2 1HH2 ARG 2 6.509 -0.400 8.702 20 HH22 ARG 2 2HH2 ARG 2 6.794 -0.702 7.019 21 H THR 3 H THR 3 -2.136 2.176 6.132 22 HA THR 3 HA THR 3 -2.182 1.415 3.285 23 HB THR 3 HB THR 3 -4.649 2.355 4.704 24 HG1 THR 3 1HG THR 3 -3.994 0.711 6.046 25 HG21 THR 3 3HG2 THR 3 -4.092 1.289 2.148 26 HG22 THR 3 1HG2 THR 3 -5.643 1.780 2.831 27 HG23 THR 3 2HG2 THR 3 -5.081 0.121 3.025 28 H LYS 4 H LYS 4 -1.869 3.027 1.887 29 HA LYS 4 HA LYS 4 -2.219 5.794 2.838 30 HB2 LYS 4 2HB LYS 4 0.043 4.708 1.833 31 HB3 LYS 4 1HB LYS 4 -0.695 5.281 0.344 32 HG2 LYS 4 2HG LYS 4 -0.919 7.387 2.194 33 HG3 LYS 4 1HG LYS 4 0.720 6.752 2.348 34 HD2 LYS 4 2HD LYS 4 0.963 6.934 -0.120 35 HD3 LYS 4 1HD LYS 4 -0.627 7.693 -0.185 36 HE2 LYS 4 2HE LYS 4 0.665 9.567 -0.106 37 HE3 LYS 4 1HE LYS 4 0.467 9.291 1.623 38 HZ1 LYS 4 3HZ LYS 4 2.654 7.821 1.049 39 HZ2 LYS 4 1HZ LYS 4 2.690 9.400 1.654 40 HZ3 LYS 4 2HZ LYS 4 2.841 9.128 -0.006 41 H GLN 5 H GLN 5 -3.589 7.151 1.801 42 HA GLN 5 HA GLN 5 -5.065 6.046 -0.495 43 HB2 GLN 5 2HB GLN 5 -6.259 6.636 1.705 44 HB3 GLN 5 1HB GLN 5 -6.004 8.315 1.250 45 HG2 GLN 5 2HG GLN 5 -7.114 7.446 -1.012 46 HG3 GLN 5 1HG GLN 5 -7.829 6.287 0.105 47 HE21 GLN 5 1HE2 GLN 5 -9.665 7.678 -0.994 48 HE22 GLN 5 2HE2 GLN 5 -10.238 8.982 -0.015 49 H THR 6 H THR 6 -4.795 6.951 -2.413 50 HA THR 6 HA THR 6 -3.890 9.749 -2.559 51 HB THR 6 HB THR 6 -2.518 9.093 -4.543 52 HG1 THR 6 1HG THR 6 -3.449 7.171 -5.141 53 HG21 THR 6 3HG2 THR 6 -1.927 8.044 -1.827 54 HG22 THR 6 1HG2 THR 6 -1.103 9.288 -2.766 55 HG23 THR 6 2HG2 THR 6 -0.873 7.586 -3.165 56 H ALA 7 H ALA 7 -5.201 11.000 -3.728 57 HA ALA 7 HA ALA 7 -7.171 9.721 -5.486 58 HB1 ALA 7 1HB ALA 7 -8.358 11.901 -5.354 59 HB2 ALA 7 2HB ALA 7 -7.108 12.470 -4.248 60 HB3 ALA 7 3HB ALA 7 -8.140 11.114 -3.792 61 H ARG 8 H ARG 8 -7.327 10.145 -7.628 62 HA ARG 8 HA ARG 8 -5.066 11.075 -9.026 63 HB2 ARG 8 2HB ARG 8 -6.661 9.461 -9.973 64 HB3 ARG 8 1HB ARG 8 -7.899 10.706 -10.024 65 HG2 ARG 8 2HG ARG 8 -7.089 11.620 -11.904 66 HG3 ARG 8 1HG ARG 8 -5.408 11.392 -11.419 67 HD2 ARG 8 2HD ARG 8 -5.595 9.003 -11.986 68 HD3 ARG 8 1HD ARG 8 -7.256 9.270 -12.512 69 HE ARG 8 HE ARG 8 -5.856 11.038 -14.001 70 HH11 ARG 8 1HH1 ARG 8 -5.490 7.595 -13.455 71 HH12 ARG 8 2HH1 ARG 8 -4.791 7.301 -15.010 72 HH21 ARG 8 1HH2 ARG 8 -4.938 10.639 -16.046 73 HH22 ARG 8 2HH2 ARG 8 -4.477 9.028 -16.481 74 H LYS 9 H LYS 9 -4.383 13.071 -9.328 75 HA LYS 9 HA LYS 9 -4.292 15.309 -9.654 76 HB2 LYS 9 2HB LYS 9 -6.071 14.629 -11.428 77 HB3 LYS 9 1HB LYS 9 -7.213 15.383 -10.327 78 HG2 LYS 9 2HG LYS 9 -4.770 16.842 -11.266 79 HG3 LYS 9 1HG LYS 9 -6.243 16.793 -12.237 80 HD2 LYS 9 2HD LYS 9 -6.052 17.792 -9.391 81 HD3 LYS 9 1HD LYS 9 -6.120 18.810 -10.830 82 HE2 LYS 9 2HE LYS 9 -8.337 18.723 -10.796 83 HE3 LYS 9 1HE LYS 9 -8.271 16.972 -10.971 84 HZ1 LYS 9 3HZ LYS 9 -7.803 17.150 -8.388 85 HZ2 LYS 9 1HZ LYS 9 -9.375 17.107 -9.014 86 HZ3 LYS 9 2HZ LYS 9 -8.681 18.584 -8.571 87 H SER 10 H SER 10 -3.939 16.225 -7.745 88 HA SER 10 HA SER 10 -6.079 17.539 -6.377 89 HB2 SER 10 2HB SER 10 -5.761 14.976 -5.524 90 HB3 SER 10 1HB SER 10 -4.636 15.816 -4.453 91 HG SER 10 HG SER 10 -6.423 16.158 -3.367 92 H THR 11 H THR 11 -2.717 16.392 -6.019 93 HA THR 11 HA THR 11 -1.926 19.152 -5.439 94 HB THR 11 HB THR 11 -2.133 18.001 -3.276 95 HG1 THR 11 1HG THR 11 0.593 18.385 -3.953 96 HG21 THR 11 3HG2 THR 11 -1.410 15.716 -4.358 97 HG22 THR 11 1HG2 THR 11 -1.094 16.078 -2.661 98 HG23 THR 11 2HG2 THR 11 0.192 16.255 -3.854 99 H GLY 12 H GLY 12 -0.077 19.793 -6.406 100 HA2 GLY 12 2HA GLY 12 1.942 17.934 -7.262 101 HA3 GLY 12 1HA GLY 12 0.979 18.551 -8.594 102 H GLY 13 H GLY 13 0.793 20.991 -8.688 103 HA2 GLY 13 2HA GLY 13 3.382 22.190 -7.903 104 HA3 GLY 13 1HA GLY 13 2.578 22.543 -9.424 105 H SER 14 H SER 14 1.541 22.451 -6.009 106 HA SER 14 HA SER 14 0.841 25.283 -6.173 107 HB2 SER 14 2HB SER 14 -1.125 23.545 -6.691 108 HB3 SER 14 1HB SER 14 -1.210 23.513 -4.930 109 HG SER 14 HG SER 14 -1.569 25.700 -6.678 110 H SER 15 H SER 15 2.775 25.295 -4.815 111 HA SER 15 HA SER 15 3.755 25.684 -2.810 112 HB2 SER 15 2HB SER 15 1.168 26.285 -2.296 113 HB3 SER 15 1HB SER 15 1.416 24.976 -1.140 114 HG SER 15 HG SER 15 2.996 26.133 -0.158 115 H GLY 16 H GLY 16 1.425 23.057 -2.056 116 HA2 GLY 16 2HA GLY 16 1.835 20.831 -1.564 117 HA3 GLY 16 1HA GLY 16 3.532 21.099 -1.937 118 H SER 17 H SER 17 3.742 19.627 -0.034 119 HA SER 17 HA SER 17 3.116 20.654 2.565 120 HB2 SER 17 2HB SER 17 3.573 18.162 1.661 121 HB3 SER 17 1HB SER 17 5.178 18.531 2.292 122 HG SER 17 HG SER 17 2.741 18.268 3.637 123 H SER 18 H SER 18 5.173 20.430 4.200 124 HA SER 18 HA SER 18 6.707 22.745 3.707 125 HB2 SER 18 2HB SER 18 6.589 20.685 5.836 126 HB3 SER 18 1HB SER 18 8.095 21.592 5.711 127 HG SER 18 HG SER 18 5.504 22.740 5.916 128 H GLN 19 H GLN 19 8.629 23.072 2.798 129 HA GLN 19 HA GLN 19 9.858 21.061 1.233 130 HB2 GLN 19 2HB GLN 19 11.657 22.774 0.881 131 HB3 GLN 19 1HB GLN 19 10.033 23.329 0.503 132 HG2 GLN 19 2HG GLN 19 10.093 24.928 2.060 133 HG3 GLN 19 1HG GLN 19 10.846 23.875 3.255 134 HE21 GLN 19 1HE2 GLN 19 11.499 25.839 0.397 135 HE22 GLN 19 2HE2 GLN 19 13.142 26.197 0.797 136 H SER 20 H SER 20 12.336 20.732 1.375 137 HA SER 20 HA SER 20 14.106 19.781 2.433 138 HB2 SER 20 2HB SER 20 14.013 21.986 3.711 139 HB3 SER 20 1HB SER 20 13.173 21.101 4.985 140 HG SER 20 HG SER 20 14.973 19.826 5.267 141 H LEU 21 H LEU 21 11.377 18.541 2.423 142 HA LEU 21 HA LEU 21 11.974 16.396 4.301 143 HB2 LEU 21 2HB LEU 21 9.468 18.053 4.320 144 HB3 LEU 21 1HB LEU 21 9.439 16.384 4.855 145 HG LEU 21 HG LEU 21 11.591 17.746 6.173 146 HD11 LEU 21 1HD1 LEU 21 9.100 18.987 7.108 147 HD12 LEU 21 2HD1 LEU 21 9.710 19.594 5.569 148 HD13 LEU 21 3HD1 LEU 21 10.733 19.646 7.004 149 HD21 LEU 21 3HD2 LEU 21 9.134 17.008 7.636 150 HD22 LEU 21 1HD2 LEU 21 10.820 16.613 7.968 151 HD23 LEU 21 2HD2 LEU 21 9.932 15.719 6.734 152 H ILE 22 H ILE 22 11.177 14.376 3.654 153 HA ILE 22 HA ILE 22 9.770 14.321 1.063 154 HB ILE 22 HB ILE 22 11.937 12.376 1.864 155 HG12 ILE 22 2HG1 ILE 22 12.395 14.162 -0.438 156 HG13 ILE 22 1HG1 ILE 22 12.382 14.975 1.132 157 HG21 ILE 22 1HG2 ILE 22 11.791 11.596 -0.425 158 HG22 ILE 22 2HG2 ILE 22 10.546 12.794 -0.780 159 HG23 ILE 22 3HG2 ILE 22 10.213 11.485 0.354 160 HD11 ILE 22 3HD1 ILE 22 13.983 12.501 0.927 161 HD12 ILE 22 1HD1 ILE 22 14.307 14.002 1.795 162 HD13 ILE 22 2HD1 ILE 22 14.572 13.916 0.053 163 H ASP 23 H ASP 23 8.114 12.925 0.862 164 HA ASP 23 HA ASP 23 7.331 11.409 3.235 165 HB2 ASP 23 2HB ASP 23 5.764 13.006 1.988 166 HB3 ASP 23 1HB ASP 23 5.692 11.776 0.729 167 H GLU 24 H GLU 24 7.947 10.936 -0.220 168 HA GLU 24 HA GLU 24 8.465 9.118 -1.453 169 HB2 GLU 24 2HB GLU 24 9.352 8.353 1.259 170 HB3 GLU 24 1HB GLU 24 9.120 7.021 0.132 171 HG2 GLU 24 2HG GLU 24 10.802 7.717 -1.258 172 HG3 GLU 24 1HG GLU 24 10.669 9.401 -0.751 173 H ASP 25 H ASP 25 6.238 9.101 -2.071 174 HA ASP 25 HA ASP 25 4.247 7.561 -0.809 175 HB2 ASP 25 2HB ASP 25 4.534 8.449 -3.688 176 HB3 ASP 25 1HB ASP 25 3.087 7.691 -3.038 177 H ALA 26 H ALA 26 3.418 5.515 -1.254 178 HA ALA 26 HA ALA 26 5.328 3.517 -1.951 179 HB1 ALA 26 1HB ALA 26 2.582 3.589 -0.929 180 HB2 ALA 26 2HB ALA 26 3.927 2.533 -0.501 181 HB3 ALA 26 3HB ALA 26 2.954 2.186 -1.929 182 H VAL 27 H VAL 27 5.256 2.011 -3.682 183 HA VAL 27 HA VAL 27 3.769 2.946 -6.051 184 HB VAL 27 HB VAL 27 5.674 1.919 -7.394 185 HG11 VAL 27 1HG1 VAL 27 5.664 4.195 -7.561 186 HG12 VAL 27 2HG1 VAL 27 7.212 3.966 -6.748 187 HG13 VAL 27 3HG1 VAL 27 5.789 4.438 -5.817 188 HG21 VAL 27 3HG2 VAL 27 6.543 0.957 -5.008 189 HG22 VAL 27 1HG2 VAL 27 7.544 2.400 -5.173 190 HG23 VAL 27 2HG2 VAL 27 7.566 1.163 -6.429 191 H CYS 28 H CYS 28 2.213 1.545 -6.557 192 HA CYS 28 HA CYS 28 2.102 -1.101 -5.610 193 HB2 CYS 28 2HB CYS 28 0.069 0.070 -6.096 194 HB3 CYS 28 1HB CYS 28 0.544 0.293 -7.783 195 H SER 29 H SER 29 2.192 -3.087 -6.737 196 HA SER 29 HA SER 29 4.071 -3.061 -8.994 197 HB2 SER 29 2HB SER 29 4.753 -5.253 -8.341 198 HB3 SER 29 1HB SER 29 4.668 -4.292 -6.866 199 HG SER 29 HG SER 29 3.635 -6.201 -6.446 200 H ILE 30 H ILE 30 0.885 -4.235 -8.010 201 HA ILE 30 HA ILE 30 0.476 -5.968 -10.219 202 HB ILE 30 HB ILE 30 -1.391 -4.644 -8.266 203 HG12 ILE 30 2HG1 ILE 30 -1.837 -7.308 -8.100 204 HG13 ILE 30 1HG1 ILE 30 -0.156 -7.313 -8.653 205 HG21 ILE 30 1HG2 ILE 30 -2.178 -6.358 -10.622 206 HG22 ILE 30 2HG2 ILE 30 -2.644 -4.681 -10.323 207 HG23 ILE 30 3HG2 ILE 30 -3.239 -5.966 -9.268 208 HD11 ILE 30 3HD1 ILE 30 -0.301 -5.419 -6.584 209 HD12 ILE 30 1HD1 ILE 30 0.473 -7.004 -6.558 210 HD13 ILE 30 2HD1 ILE 30 -1.203 -6.832 -6.037 211 H CYS 31 H CYS 31 0.048 -2.524 -9.745 212 HA CYS 31 HA CYS 31 -0.641 -2.260 -12.581 213 HB2 CYS 31 2HB CYS 31 -2.487 -0.884 -12.186 214 HB3 CYS 31 1HB CYS 31 -2.640 -2.129 -10.941 215 H MET 32 H MET 32 -0.182 -0.148 -13.486 216 HA MET 32 HA MET 32 2.110 1.115 -12.161 217 HB2 MET 32 2HB MET 32 1.133 1.168 -15.023 218 HB3 MET 32 1HB MET 32 2.426 2.203 -14.438 219 HG2 MET 32 2HG MET 32 3.364 -0.168 -13.621 220 HG3 MET 32 1HG MET 32 2.421 -0.689 -15.015 221 HE1 MET 32 3HE MET 32 5.157 -1.297 -16.671 222 HE2 MET 32 1HE MET 32 4.339 -0.266 -17.847 223 HE3 MET 32 2HE MET 32 3.395 -1.264 -16.740 224 H ASP 33 H ASP 33 -0.268 1.743 -10.975 225 HA ASP 33 HA ASP 33 -1.608 3.443 -10.300 226 HB2 ASP 33 2HB ASP 33 0.873 4.788 -11.243 227 HB3 ASP 33 1HB ASP 33 -0.533 5.815 -10.943 228 H GLY 34 H GLY 34 -2.135 2.303 -12.921 229 HA2 GLY 34 2HA GLY 34 -3.368 4.639 -14.258 230 HA3 GLY 34 1HA GLY 34 -2.841 3.183 -15.107 231 H GLU 35 H GLU 35 -4.627 3.377 -12.052 232 HA GLU 35 HA GLU 35 -6.577 1.500 -13.014 233 HB2 GLU 35 2HB GLU 35 -6.537 3.062 -10.423 234 HB3 GLU 35 1HB GLU 35 -7.554 1.673 -10.776 235 HG2 GLU 35 2HG GLU 35 -5.479 0.314 -11.038 236 HG3 GLU 35 1HG GLU 35 -4.560 1.711 -10.481 237 H SER 36 H SER 36 -8.953 1.936 -12.659 238 HA SER 36 HA SER 36 -9.650 4.372 -14.066 239 HB2 SER 36 2HB SER 36 -11.819 3.401 -14.365 240 HB3 SER 36 1HB SER 36 -10.639 2.116 -14.615 241 HG SER 36 HG SER 36 -11.273 1.156 -12.811 242 H GLN 37 H GLN 37 -9.926 3.065 -10.828 243 HA GLN 37 HA GLN 37 -11.915 4.780 -9.820 244 HB2 GLN 37 2HB GLN 37 -10.988 2.671 -8.754 245 HB3 GLN 37 1HB GLN 37 -9.611 3.647 -8.227 246 HG2 GLN 37 2HG GLN 37 -10.830 4.771 -6.670 247 HG3 GLN 37 1HG GLN 37 -12.338 4.619 -7.571 248 HE21 GLN 37 1HE2 GLN 37 -11.262 3.907 -4.746 249 HE22 GLN 37 2HE2 GLN 37 -11.903 2.325 -4.483 250 H ASN 38 H ASN 38 -11.675 6.580 -8.334 251 HA ASN 38 HA ASN 38 -9.685 8.460 -9.256 252 HB2 ASN 38 2HB ASN 38 -12.264 8.780 -8.467 253 HB3 ASN 38 1HB ASN 38 -11.420 9.230 -6.988 254 HD21 ASN 38 1HD2 ASN 38 -9.488 10.740 -7.423 255 HD22 ASN 38 2HD2 ASN 38 -9.803 12.057 -8.496 256 H SER 39 H SER 39 -10.620 7.138 -6.059 257 HA SER 39 HA SER 39 -7.884 7.734 -5.137 258 HB2 SER 39 2HB SER 39 -8.754 8.058 -2.885 259 HB3 SER 39 1HB SER 39 -9.598 9.127 -4.009 260 HG SER 39 HG SER 39 -10.546 6.685 -2.909 261 H ASN 40 H ASN 40 -6.691 6.000 -4.766 262 HA ASN 40 HA ASN 40 -8.027 3.459 -4.093 263 HB2 ASN 40 2HB ASN 40 -5.844 2.431 -4.958 264 HB3 ASN 40 1HB ASN 40 -6.917 3.144 -6.157 265 HD21 ASN 40 1HD2 ASN 40 -4.130 3.930 -4.108 266 HD22 ASN 40 2HD2 ASN 40 -3.367 4.974 -5.253 267 H VAL 41 H VAL 41 -6.509 1.918 -2.842 268 HA VAL 41 HA VAL 41 -5.026 3.439 -0.800 269 HB VAL 41 HB VAL 41 -5.747 1.721 0.878 270 HG11 VAL 41 1HG1 VAL 41 -7.369 3.846 -0.295 271 HG12 VAL 41 2HG1 VAL 41 -6.964 3.522 1.390 272 HG13 VAL 41 3HG1 VAL 41 -8.302 2.666 0.626 273 HG21 VAL 41 3HG2 VAL 41 -6.476 -0.115 -0.371 274 HG22 VAL 41 1HG2 VAL 41 -7.511 0.875 -1.401 275 HG23 VAL 41 2HG2 VAL 41 -7.961 0.579 0.277 276 H ILE 42 H ILE 42 -2.941 2.967 -1.027 277 HA ILE 42 HA ILE 42 -2.104 0.359 -2.002 278 HB ILE 42 HB ILE 42 -1.057 2.610 -2.690 279 HG12 ILE 42 2HG1 ILE 42 1.277 1.055 -1.975 280 HG13 ILE 42 1HG1 ILE 42 -0.033 -0.005 -2.514 281 HG21 ILE 42 1HG2 ILE 42 0.638 3.551 -1.338 282 HG22 ILE 42 2HG2 ILE 42 0.560 2.219 -0.186 283 HG23 ILE 42 3HG2 ILE 42 -0.777 3.362 -0.305 284 HD11 ILE 42 3HD1 ILE 42 1.155 0.482 -4.450 285 HD12 ILE 42 1HD1 ILE 42 1.362 2.178 -4.015 286 HD13 ILE 42 2HD1 ILE 42 -0.222 1.584 -4.515 287 H LEU 43 H LEU 43 -0.506 -0.946 -0.841 288 HA LEU 43 HA LEU 43 -0.569 -0.531 2.071 289 HB2 LEU 43 2HB LEU 43 -1.041 -3.107 0.579 290 HB3 LEU 43 1HB LEU 43 -0.744 -3.018 2.306 291 HG LEU 43 HG LEU 43 -3.076 -1.761 0.859 292 HD11 LEU 43 1HD1 LEU 43 -4.372 -3.432 2.213 293 HD12 LEU 43 2HD1 LEU 43 -2.833 -4.224 2.561 294 HD13 LEU 43 3HD1 LEU 43 -3.408 -4.101 0.897 295 HD21 LEU 43 3HD2 LEU 43 -3.860 -1.579 3.329 296 HD22 LEU 43 1HD2 LEU 43 -2.754 -0.372 2.672 297 HD23 LEU 43 2HD2 LEU 43 -2.136 -1.670 3.694 298 H PHE 44 H PHE 44 1.352 -0.472 2.946 299 HA PHE 44 HA PHE 44 3.647 -1.528 1.443 300 HB2 PHE 44 2HB PHE 44 3.245 0.926 2.610 301 HB3 PHE 44 1HB PHE 44 4.182 0.090 3.840 302 HD1 PHE 44 1HD PHE 44 4.205 0.584 0.145 303 HD2 PHE 44 2HD PHE 44 6.461 0.303 3.742 304 HE1 PHE 44 1HE PHE 44 6.265 1.088 -1.110 305 HE2 PHE 44 2HE PHE 44 8.522 0.802 2.496 306 HZ PHE 44 HZ PHE 44 8.427 1.196 0.067 307 H CYS 45 H CYS 45 5.138 -2.948 2.375 308 HA CYS 45 HA CYS 45 4.093 -4.632 4.443 309 HB2 CYS 45 2HB CYS 45 5.567 -5.367 2.495 310 HB3 CYS 45 1HB CYS 45 6.925 -4.692 3.408 311 H ASP 46 H ASP 46 5.052 -5.092 6.492 312 HA ASP 46 HA ASP 46 6.057 -2.711 7.789 313 HB2 ASP 46 2HB ASP 46 4.474 -4.892 8.594 314 HB3 ASP 46 1HB ASP 46 5.962 -4.993 9.546 315 H MET 47 H MET 47 7.469 -5.507 6.398 316 HA MET 47 HA MET 47 10.008 -4.846 7.731 317 HB2 MET 47 2HB MET 47 8.696 -7.128 8.324 318 HB3 MET 47 1HB MET 47 9.582 -7.670 6.900 319 HG2 MET 47 2HG MET 47 11.608 -6.560 8.161 320 HG3 MET 47 1HG MET 47 10.588 -6.842 9.570 321 HE1 MET 47 3HE MET 47 12.148 -8.437 10.791 322 HE2 MET 47 1HE MET 47 11.859 -10.158 10.540 323 HE3 MET 47 2HE MET 47 10.499 -9.069 10.821 324 H CYS 48 H CYS 48 8.481 -4.448 5.041 325 HA CYS 48 HA CYS 48 10.814 -4.804 3.350 326 HB2 CYS 48 2HB CYS 48 8.093 -5.854 2.546 327 HB3 CYS 48 1HB CYS 48 9.601 -5.997 1.658 328 H ASN 49 H ASN 49 9.858 -4.110 0.957 329 HA ASN 49 HA ASN 49 8.629 -1.462 1.353 330 HB2 ASN 49 2HB ASN 49 10.454 -2.380 -0.890 331 HB3 ASN 49 1HB ASN 49 9.764 -0.760 -0.707 332 HD21 ASN 49 1HD2 ASN 49 12.300 -0.660 -0.988 333 HD22 ASN 49 2HD2 ASN 49 13.157 -0.450 0.498 334 H LEU 50 H LEU 50 7.761 -4.453 0.496 335 HA LEU 50 HA LEU 50 6.598 -4.333 -2.016 336 HB2 LEU 50 2HB LEU 50 6.821 -6.232 -0.150 337 HB3 LEU 50 1HB LEU 50 5.147 -5.770 0.143 338 HG LEU 50 HG LEU 50 5.031 -7.586 -1.340 339 HD11 LEU 50 1HD1 LEU 50 3.956 -6.739 -3.244 340 HD12 LEU 50 2HD1 LEU 50 4.934 -5.270 -3.246 341 HD13 LEU 50 3HD1 LEU 50 3.719 -5.520 -1.991 342 HD21 LEU 50 3HD2 LEU 50 7.298 -7.812 -2.008 343 HD22 LEU 50 1HD2 LEU 50 7.271 -6.264 -2.854 344 HD23 LEU 50 2HD2 LEU 50 6.344 -7.628 -3.481 345 H ALA 51 H ALA 51 5.328 -2.754 -2.703 346 HA ALA 51 HA ALA 51 3.143 -1.839 -0.959 347 HB1 ALA 51 1HB ALA 51 5.092 -0.273 -1.958 348 HB2 ALA 51 2HB ALA 51 3.462 0.300 -1.610 349 HB3 ALA 51 3HB ALA 51 3.902 -0.153 -3.256 350 H VAL 52 H VAL 52 1.234 -2.686 -1.570 351 HA VAL 52 HA VAL 52 0.511 -2.599 -4.399 352 HB VAL 52 HB VAL 52 -0.429 -4.916 -4.322 353 HG11 VAL 52 1HG1 VAL 52 1.983 -4.119 -5.124 354 HG12 VAL 52 2HG1 VAL 52 1.457 -5.797 -5.218 355 HG13 VAL 52 3HG1 VAL 52 2.476 -5.269 -3.883 356 HG21 VAL 52 3HG2 VAL 52 0.421 -6.488 -2.667 357 HG22 VAL 52 1HG2 VAL 52 -0.488 -5.193 -1.890 358 HG23 VAL 52 2HG2 VAL 52 1.276 -5.182 -1.845 359 H HIS 53 H HIS 53 -1.597 -2.053 -4.721 360 HA HIS 53 HA HIS 53 -3.190 -1.202 -2.555 361 HB2 HIS 53 2HB HIS 53 -4.186 -1.943 -5.319 362 HB3 HIS 53 1HB HIS 53 -4.996 -0.905 -4.158 363 HD2 HIS 53 2HD HIS 53 -3.558 1.586 -3.684 364 HE1 HIS 53 1HE HIS 53 -1.797 1.406 -7.528 365 HE2 HIS 53 2HE HIS 53 -2.130 2.829 -5.456 366 H GLN 54 H GLN 54 -4.867 -2.167 -1.428 367 HA GLN 54 HA GLN 54 -4.840 -4.973 -1.153 368 HB2 GLN 54 2HB GLN 54 -7.006 -4.603 0.143 369 HB3 GLN 54 1HB GLN 54 -5.568 -3.790 0.740 370 HG2 GLN 54 2HG GLN 54 -6.529 -1.805 0.566 371 HG3 GLN 54 1HG GLN 54 -6.985 -2.104 -1.119 372 HE21 GLN 54 1HE2 GLN 54 -7.948 -3.528 2.000 373 HE22 GLN 54 2HE2 GLN 54 -9.643 -3.298 1.769 374 H GLU 55 H GLU 55 -6.429 -2.983 -3.434 375 HA GLU 55 HA GLU 55 -8.480 -4.951 -4.078 376 HB2 GLU 55 2HB GLU 55 -8.755 -2.372 -4.137 377 HB3 GLU 55 1HB GLU 55 -7.872 -2.461 -5.654 378 HG2 GLU 55 2HG GLU 55 -9.577 -3.529 -6.749 379 HG3 GLU 55 1HG GLU 55 -10.249 -4.209 -5.268 380 H CYS 56 H CYS 56 -5.373 -3.850 -5.057 381 HA CYS 56 HA CYS 56 -5.334 -5.055 -7.649 382 HB2 CYS 56 2HB CYS 56 -3.696 -3.299 -6.052 383 HB3 CYS 56 1HB CYS 56 -2.721 -4.580 -6.715 384 H TYR 57 H TYR 57 -4.100 -5.812 -4.420 385 HA TYR 57 HA TYR 57 -2.866 -8.259 -5.299 386 HB2 TYR 57 2HB TYR 57 -2.140 -6.688 -3.346 387 HB3 TYR 57 1HB TYR 57 -3.339 -7.581 -2.418 388 HD1 TYR 57 2HD TYR 57 -0.164 -7.866 -4.275 389 HD2 TYR 57 1HD TYR 57 -2.920 -9.819 -1.687 390 HE1 TYR 57 2HE TYR 57 1.493 -9.634 -3.854 391 HE2 TYR 57 1HE TYR 57 -1.270 -11.592 -1.260 392 HH TYR 57 HH TYR 57 1.440 -11.651 -1.380 393 H GLY 58 H GLY 58 -5.911 -7.298 -3.895 394 HA2 GLY 58 2HA GLY 58 -7.871 -8.612 -4.010 395 HA3 GLY 58 1HA GLY 58 -6.864 -10.057 -4.157 396 H VAL 59 H VAL 59 -6.455 -7.541 -1.719 397 HA VAL 59 HA VAL 59 -6.523 -9.478 0.391 398 HB VAL 59 HB VAL 59 -6.511 -6.469 0.672 399 HG11 VAL 59 1HG1 VAL 59 -5.292 -8.464 2.547 400 HG12 VAL 59 2HG1 VAL 59 -6.992 -8.012 2.666 401 HG13 VAL 59 3HG1 VAL 59 -5.739 -6.786 2.849 402 HG21 VAL 59 3HG2 VAL 59 -4.207 -8.377 0.301 403 HG22 VAL 59 1HG2 VAL 59 -4.036 -6.710 0.851 404 HG23 VAL 59 2HG2 VAL 59 -4.674 -7.049 -0.758 405 HA PRO 60 HA PRO 60 -10.935 -9.353 1.007 406 HB2 PRO 60 2HB PRO 60 -10.971 -10.588 3.451 407 HB3 PRO 60 1HB PRO 60 -10.814 -11.444 1.909 408 HG2 PRO 60 2HG PRO 60 -8.692 -10.660 3.869 409 HG3 PRO 60 1HG PRO 60 -8.875 -12.170 2.958 410 HD2 PRO 60 2HD PRO 60 -7.131 -10.252 2.219 411 HD3 PRO 60 1HD PRO 60 -7.977 -11.267 1.032 412 H TYR 61 H TYR 61 -8.874 -8.542 3.819 413 HA TYR 61 HA TYR 61 -10.530 -6.169 4.266 414 HB2 TYR 61 2HB TYR 61 -10.707 -6.595 6.661 415 HB3 TYR 61 1HB TYR 61 -11.406 -7.948 5.759 416 HD1 TYR 61 1HD TYR 61 -9.912 -9.999 5.399 417 HD2 TYR 61 2HD TYR 61 -9.069 -6.998 8.290 418 HE1 TYR 61 1HE TYR 61 -8.464 -11.581 6.603 419 HE2 TYR 61 2HE TYR 61 -7.616 -8.570 9.503 420 HH TYR 61 HH TYR 61 -6.435 -11.351 8.218 421 H ILE 62 H ILE 62 -9.389 -5.086 6.435 422 HA ILE 62 HA ILE 62 -6.514 -4.970 5.794 423 HB ILE 62 HB ILE 62 -8.210 -2.614 6.635 424 HG12 ILE 62 2HG1 ILE 62 -6.905 -2.890 3.949 425 HG13 ILE 62 1HG1 ILE 62 -8.468 -3.649 4.233 426 HG21 ILE 62 1HG2 ILE 62 -5.299 -2.959 6.003 427 HG22 ILE 62 2HG2 ILE 62 -6.051 -2.180 7.396 428 HG23 ILE 62 3HG2 ILE 62 -6.094 -1.397 5.815 429 HD11 ILE 62 3HD1 ILE 62 -8.706 -1.031 5.191 430 HD12 ILE 62 1HD1 ILE 62 -9.419 -1.718 3.733 431 HD13 ILE 62 2HD1 ILE 62 -7.851 -0.916 3.655 432 HA PRO 63 HA PRO 63 -6.620 -6.286 10.170 433 HB2 PRO 63 2HB PRO 63 -3.726 -6.566 9.580 434 HB3 PRO 63 1HB PRO 63 -4.854 -7.737 10.289 435 HG2 PRO 63 2HG PRO 63 -3.968 -8.003 7.778 436 HG3 PRO 63 1HG PRO 63 -5.629 -8.433 8.224 437 HD2 PRO 63 2HD PRO 63 -4.615 -6.015 6.791 438 HD3 PRO 63 1HD PRO 63 -6.103 -6.946 6.524 439 H GLU 64 H GLU 64 -5.793 -5.345 12.080 440 HA GLU 64 HA GLU 64 -4.653 -2.669 11.689 441 HB2 GLU 64 2HB GLU 64 -6.829 -3.451 13.144 442 HB3 GLU 64 1HB GLU 64 -5.581 -3.409 14.383 443 HG2 GLU 64 2HG GLU 64 -6.146 -1.255 14.549 444 HG3 GLU 64 1HG GLU 64 -5.120 -1.059 13.128 445 H GLY 65 H GLY 65 -2.959 -5.001 11.547 446 HA2 GLY 65 2HA GLY 65 -1.200 -4.404 13.836 447 HA3 GLY 65 1HA GLY 65 -1.470 -6.063 13.324 448 H GLN 66 H GLN 66 0.501 -6.655 12.594 449 HA GLN 66 HA GLN 66 1.966 -4.875 10.806 450 HB2 GLN 66 2HB GLN 66 2.727 -7.552 11.990 451 HB3 GLN 66 1HB GLN 66 3.776 -6.558 10.988 452 HG2 GLN 66 2HG GLN 66 4.120 -5.007 12.641 453 HG3 GLN 66 1HG GLN 66 2.606 -5.385 13.462 454 HE21 GLN 66 1HE2 GLN 66 5.291 -7.445 12.402 455 HE22 GLN 66 2HE2 GLN 66 5.635 -8.096 13.967 456 H TRP 67 H TRP 67 2.567 -5.406 8.704 457 HA TRP 67 HA TRP 67 1.042 -7.619 7.494 458 HB2 TRP 67 2HB TRP 67 0.357 -5.239 6.870 459 HB3 TRP 67 1HB TRP 67 1.902 -5.122 6.032 460 HD1 TRP 67 HD TRP 67 -0.736 -7.979 6.027 461 HE1 TRP 67 1HE TRP 67 -1.312 -8.520 3.580 462 HE3 TRP 67 3HE TRP 67 2.151 -4.449 3.708 463 HZ2 TRP 67 2HZ TRP 67 -0.639 -7.576 1.007 464 HZ3 TRP 67 3HZ TRP 67 2.127 -4.337 1.250 465 HH2 TRP 67 HH TRP 67 0.760 -5.870 -0.069 466 H LEU 68 H LEU 68 2.297 -9.231 6.868 467 HA LEU 68 HA LEU 68 5.022 -8.636 5.904 468 HB2 LEU 68 2HB LEU 68 3.929 -11.048 7.349 469 HB3 LEU 68 1HB LEU 68 5.435 -11.102 6.460 470 HG LEU 68 HG LEU 68 5.570 -10.775 8.984 471 HD11 LEU 68 1HD1 LEU 68 7.447 -10.443 7.439 472 HD12 LEU 68 2HD1 LEU 68 7.497 -9.322 8.802 473 HD13 LEU 68 3HD1 LEU 68 6.954 -8.763 7.222 474 HD21 LEU 68 3HD2 LEU 68 5.023 -7.891 8.367 475 HD22 LEU 68 1HD2 LEU 68 5.168 -8.679 9.938 476 HD23 LEU 68 2HD2 LEU 68 3.751 -8.975 8.931 477 H CYS 69 H CYS 69 4.930 -8.635 3.721 478 HA CYS 69 HA CYS 69 3.047 -9.911 2.130 479 HB2 CYS 69 2HB CYS 69 4.570 -9.505 0.244 480 HB3 CYS 69 1HB CYS 69 4.455 -8.090 1.295 481 H ARG 70 H ARG 70 3.382 -11.685 0.593 482 HA ARG 70 HA ARG 70 3.880 -14.090 1.812 483 HB2 ARG 70 2HB ARG 70 3.705 -13.237 -1.033 484 HB3 ARG 70 1HB ARG 70 4.251 -14.871 -0.683 485 HG2 ARG 70 2HG ARG 70 2.108 -14.910 0.844 486 HG3 ARG 70 1HG ARG 70 1.585 -13.625 -0.248 487 HD2 ARG 70 2HD ARG 70 0.779 -15.720 -1.088 488 HD3 ARG 70 1HD ARG 70 2.052 -15.140 -2.161 489 HE ARG 70 HE ARG 70 3.349 -16.778 -0.410 490 HH11 ARG 70 1HH1 ARG 70 0.602 -17.187 -2.545 491 HH12 ARG 70 2HH1 ARG 70 0.901 -18.871 -2.810 492 HH21 ARG 70 1HH2 ARG 70 3.741 -19.000 -0.773 493 HH22 ARG 70 2HH2 ARG 70 2.682 -19.898 -1.806 494 H HIS 71 H HIS 71 6.290 -11.966 0.419 495 HA HIS 71 HA HIS 71 8.269 -13.991 0.045 496 HB2 HIS 71 2HB HIS 71 8.097 -11.081 -0.255 497 HB3 HIS 71 1HB HIS 71 9.669 -11.634 0.309 498 HD1 HIS 71 1HD HIS 71 10.254 -14.055 -1.275 499 HD2 HIS 71 2HD HIS 71 8.286 -10.792 -2.932 500 HE1 HIS 71 1HE HIS 71 10.610 -14.246 -3.756 501 HE2 HIS 71 2HE HIS 71 9.357 -12.295 -4.744 502 H CYS 72 H CYS 72 7.637 -11.577 2.569 503 HA CYS 72 HA CYS 72 9.854 -12.523 4.145 504 HB2 CYS 72 2HB CYS 72 9.105 -10.864 5.780 505 HB3 CYS 72 1HB CYS 72 9.335 -10.185 4.159 506 H LEU 73 H LEU 73 6.296 -12.651 4.419 507 HA LEU 73 HA LEU 73 6.214 -13.995 6.878 508 HB2 LEU 73 2HB LEU 73 3.959 -14.535 6.406 509 HB3 LEU 73 1HB LEU 73 4.256 -12.962 5.697 510 HG LEU 73 HG LEU 73 4.658 -14.299 3.498 511 HD11 LEU 73 1HD1 LEU 73 3.552 -16.342 5.321 512 HD12 LEU 73 2HD1 LEU 73 4.591 -16.521 3.907 513 HD13 LEU 73 3HD1 LEU 73 2.856 -16.273 3.700 514 HD21 LEU 73 3HD2 LEU 73 1.972 -14.477 3.422 515 HD22 LEU 73 1HD2 LEU 73 2.855 -12.957 3.281 516 HD23 LEU 73 2HD2 LEU 73 2.174 -13.439 4.832 517 H GLN 74 H GLN 74 7.036 -15.070 3.694 518 HA GLN 74 HA GLN 74 6.768 -17.890 4.333 519 HB2 GLN 74 2HB GLN 74 6.361 -17.104 2.043 520 HB3 GLN 74 1HB GLN 74 8.013 -16.514 1.946 521 HG2 GLN 74 2HG GLN 74 8.416 -19.114 2.614 522 HG3 GLN 74 1HG GLN 74 6.955 -19.223 1.633 523 HE21 GLN 74 1HE2 GLN 74 7.274 -19.461 -0.460 524 HE22 GLN 74 2HE2 GLN 74 8.675 -18.968 -1.341 525 H SER 75 H SER 75 9.283 -15.440 4.111 526 HA SER 75 HA SER 75 11.565 -17.044 4.266 527 HB2 SER 75 2HB SER 75 10.945 -14.206 5.029 528 HB3 SER 75 1HB SER 75 12.495 -14.906 5.501 529 HG SER 75 HG SER 75 12.662 -13.903 3.477 530 H ARG 76 H ARG 76 9.504 -15.721 6.840 531 HA ARG 76 HA ARG 76 11.128 -16.840 8.944 532 HB2 ARG 76 2HB ARG 76 9.326 -14.796 8.869 533 HB3 ARG 76 1HB ARG 76 8.356 -16.075 9.590 534 HG2 ARG 76 2HG ARG 76 10.516 -16.350 11.101 535 HG3 ARG 76 1HG ARG 76 10.727 -14.656 10.660 536 HD2 ARG 76 2HD ARG 76 7.991 -15.189 11.405 537 HD3 ARG 76 1HD ARG 76 9.097 -15.696 12.681 538 HE ARG 76 HE ARG 76 9.627 -13.495 13.070 539 HH11 ARG 76 1HH1 ARG 76 7.836 -13.726 10.067 540 HH12 ARG 76 2HH1 ARG 76 7.617 -12.016 9.921 541 HH21 ARG 76 1HH2 ARG 76 9.337 -11.241 12.870 542 HH22 ARG 76 2HH2 ARG 76 8.468 -10.603 11.513 543 H ALA 77 H ALA 77 8.225 -17.759 7.187 544 HA ALA 77 HA ALA 77 7.394 -19.849 8.916 545 HB1 ALA 77 1HB ALA 77 6.763 -19.046 6.120 546 HB2 ALA 77 2HB ALA 77 5.695 -19.222 7.512 547 HB3 ALA 77 3HB ALA 77 6.287 -20.653 6.666 548 H ARG 78 H ARG 78 9.727 -19.680 6.300 549 HA ARG 78 HA ARG 78 10.006 -22.362 5.655 550 HB2 ARG 78 2HB ARG 78 11.392 -19.972 5.089 551 HB3 ARG 78 1HB ARG 78 12.597 -21.093 5.706 552 HG2 ARG 78 2HG ARG 78 12.493 -21.263 3.315 553 HG3 ARG 78 1HG ARG 78 11.873 -22.752 4.032 554 HD2 ARG 78 2HD ARG 78 9.556 -21.639 3.785 555 HD3 ARG 78 1HD ARG 78 10.369 -20.538 2.672 556 HE ARG 78 HE ARG 78 11.083 -22.950 1.724 557 HH11 ARG 78 1HH1 ARG 78 7.960 -21.602 2.565 558 HH12 ARG 78 2HH1 ARG 78 7.099 -22.567 1.415 559 HH21 ARG 78 1HH2 ARG 78 9.942 -24.215 0.212 560 HH22 ARG 78 2HH2 ARG 78 8.223 -24.049 0.080 561 HA PRO 79 HA PRO 79 13.359 -22.932 9.090 562 HB2 PRO 79 2HB PRO 79 13.596 -20.978 10.968 563 HB3 PRO 79 1HB PRO 79 14.556 -21.019 9.486 564 HG2 PRO 79 2HG PRO 79 12.094 -19.438 10.109 565 HG3 PRO 79 1HG PRO 79 13.572 -18.925 9.273 566 HD2 PRO 79 2HD PRO 79 11.315 -19.572 7.938 567 HD3 PRO 79 1HD PRO 79 12.931 -19.889 7.276 568 H ALA 80 H ALA 80 10.352 -21.277 9.875 569 HA ALA 80 HA ALA 80 10.028 -22.353 12.485 570 HB1 ALA 80 1HB ALA 80 7.615 -21.648 10.917 571 HB2 ALA 80 2HB ALA 80 8.802 -20.371 11.178 572 HB3 ALA 80 3HB ALA 80 8.077 -21.196 12.556 Start of MODEL 3 1 H1 ALA 1 1HT ALA 1 -2.457 -2.028 9.407 2 H2 ALA 1 2HT ALA 1 -0.806 -2.168 9.860 3 H3 ALA 1 3HT ALA 1 -1.712 -3.572 9.473 4 HA ALA 1 HA ALA 1 -0.164 -2.819 7.748 5 HB1 ALA 1 2HB ALA 1 -1.534 -3.587 6.088 6 HB2 ALA 1 3HB ALA 1 -2.919 -2.641 6.635 7 HB3 ALA 1 1HB ALA 1 -2.452 -4.104 7.502 8 H ARG 2 H ARG 2 0.761 -1.082 6.899 9 HA ARG 2 HA ARG 2 -0.364 1.527 7.211 10 HB2 ARG 2 2HB ARG 2 2.166 0.406 6.115 11 HB3 ARG 2 1HB ARG 2 1.692 2.007 5.567 12 HG2 ARG 2 2HG ARG 2 3.111 2.346 7.406 13 HG3 ARG 2 1HG ARG 2 1.478 2.646 8.000 14 HD2 ARG 2 2HD ARG 2 3.020 1.250 9.478 15 HD3 ARG 2 1HD ARG 2 1.407 0.610 9.167 16 HE ARG 2 HE ARG 2 2.384 -1.187 8.163 17 HH11 ARG 2 1HH1 ARG 2 4.713 1.426 8.197 18 HH12 ARG 2 2HH1 ARG 2 5.976 0.474 7.496 19 HH21 ARG 2 1HH2 ARG 2 4.045 -2.433 7.230 20 HH22 ARG 2 2HH2 ARG 2 5.598 -1.720 6.946 21 H THR 3 H THR 3 -1.978 2.242 5.990 22 HA THR 3 HA THR 3 -2.027 1.502 3.139 23 HB THR 3 HB THR 3 -4.444 2.540 4.583 24 HG1 THR 3 1HG THR 3 -3.766 0.831 5.879 25 HG21 THR 3 3HG2 THR 3 -5.061 0.383 2.913 26 HG22 THR 3 1HG2 THR 3 -3.933 1.400 2.018 27 HG23 THR 3 2HG2 THR 3 -5.422 2.090 2.666 28 H LYS 4 H LYS 4 -1.629 3.083 1.735 29 HA LYS 4 HA LYS 4 -1.932 5.871 2.639 30 HB2 LYS 4 2HB LYS 4 0.117 4.485 1.026 31 HB3 LYS 4 1HB LYS 4 -0.360 6.068 0.430 32 HG2 LYS 4 2HG LYS 4 0.051 6.273 3.234 33 HG3 LYS 4 1HG LYS 4 1.433 5.430 2.528 34 HD2 LYS 4 2HD LYS 4 1.452 7.298 0.783 35 HD3 LYS 4 1HD LYS 4 0.372 8.166 1.875 36 HE2 LYS 4 2HE LYS 4 2.054 7.975 3.660 37 HE3 LYS 4 1HE LYS 4 3.136 7.150 2.539 38 HZ1 LYS 4 3HZ LYS 4 3.685 9.067 1.530 39 HZ2 LYS 4 1HZ LYS 4 3.158 9.786 2.968 40 HZ3 LYS 4 2HZ LYS 4 2.127 9.715 1.630 41 H GLN 5 H GLN 5 -3.525 7.006 1.746 42 HA GLN 5 HA GLN 5 -4.641 6.087 -0.818 43 HB2 GLN 5 2HB GLN 5 -6.219 6.033 1.063 44 HB3 GLN 5 1HB GLN 5 -5.942 7.743 1.353 45 HG2 GLN 5 2HG GLN 5 -7.377 8.360 -0.235 46 HG3 GLN 5 1HG GLN 5 -6.758 7.176 -1.385 47 HE21 GLN 5 1HE2 GLN 5 -8.561 6.238 -2.129 48 HE22 GLN 5 2HE2 GLN 5 -9.750 5.460 -1.148 49 H THR 6 H THR 6 -4.523 7.349 -2.556 50 HA THR 6 HA THR 6 -3.908 10.206 -2.196 51 HB THR 6 HB THR 6 -2.493 9.998 -4.290 52 HG1 THR 6 1HG THR 6 -3.218 7.962 -4.973 53 HG21 THR 6 3HG2 THR 6 -1.130 8.233 -2.391 54 HG22 THR 6 1HG2 THR 6 -1.732 9.744 -1.712 55 HG23 THR 6 2HG2 THR 6 -0.624 9.773 -3.084 56 H ALA 7 H ALA 7 -5.287 11.511 -3.214 57 HA ALA 7 HA ALA 7 -7.008 10.363 -5.308 58 HB1 ALA 7 1HB ALA 7 -7.471 12.338 -3.152 59 HB2 ALA 7 2HB ALA 7 -8.537 11.089 -3.797 60 HB3 ALA 7 3HB ALA 7 -8.315 12.602 -4.676 61 H ARG 8 H ARG 8 -6.661 10.975 -7.325 62 HA ARG 8 HA ARG 8 -6.164 12.213 -9.162 63 HB2 ARG 8 2HB ARG 8 -7.343 14.047 -7.725 64 HB3 ARG 8 1HB ARG 8 -5.717 14.678 -7.512 65 HG2 ARG 8 2HG ARG 8 -6.061 15.805 -9.396 66 HG3 ARG 8 1HG ARG 8 -5.871 14.261 -10.229 67 HD2 ARG 8 2HD ARG 8 -8.195 13.922 -10.357 68 HD3 ARG 8 1HD ARG 8 -8.525 15.164 -9.151 69 HE ARG 8 HE ARG 8 -7.302 16.465 -11.245 70 HH11 ARG 8 1HH1 ARG 8 -10.203 14.549 -10.823 71 HH12 ARG 8 2HH1 ARG 8 -11.074 15.368 -12.077 72 HH21 ARG 8 1HH2 ARG 8 -8.455 17.541 -12.893 73 HH22 ARG 8 2HH2 ARG 8 -10.082 17.066 -13.251 74 H LYS 9 H LYS 9 -4.153 13.639 -6.560 75 HA LYS 9 HA LYS 9 -1.839 13.874 -8.149 76 HB2 LYS 9 2HB LYS 9 -2.513 14.144 -5.290 77 HB3 LYS 9 1HB LYS 9 -0.835 13.742 -5.621 78 HG2 LYS 9 2HG LYS 9 -2.293 16.071 -6.850 79 HG3 LYS 9 1HG LYS 9 -1.275 16.171 -5.412 80 HD2 LYS 9 2HD LYS 9 0.630 16.077 -6.605 81 HD3 LYS 9 1HD LYS 9 -0.007 14.857 -7.708 82 HE2 LYS 9 2HE LYS 9 -1.076 16.482 -9.045 83 HE3 LYS 9 1HE LYS 9 -0.872 17.734 -7.822 84 HZ1 LYS 9 3HZ LYS 9 0.680 17.872 -9.754 85 HZ2 LYS 9 1HZ LYS 9 1.405 16.441 -9.216 86 HZ3 LYS 9 2HZ LYS 9 1.442 17.825 -8.245 87 H SER 10 H SER 10 0.123 12.682 -8.108 88 HA SER 10 HA SER 10 0.017 9.984 -6.982 89 HB2 SER 10 2HB SER 10 1.048 9.206 -9.249 90 HB3 SER 10 1HB SER 10 -0.698 9.418 -9.132 91 HG SER 10 HG SER 10 -0.533 10.841 -10.656 92 H THR 11 H THR 11 1.898 9.380 -6.094 93 HA THR 11 HA THR 11 4.380 10.677 -6.966 94 HB THR 11 HB THR 11 4.914 10.579 -4.354 95 HG1 THR 11 1HG THR 11 3.216 10.650 -3.106 96 HG21 THR 11 3HG2 THR 11 4.081 12.653 -6.133 97 HG22 THR 11 1HG2 THR 11 5.177 12.732 -4.752 98 HG23 THR 11 2HG2 THR 11 3.444 12.956 -4.516 99 H GLY 12 H GLY 12 6.274 9.471 -6.618 100 HA2 GLY 12 2HA GLY 12 7.407 7.557 -5.668 101 HA3 GLY 12 1HA GLY 12 5.871 6.704 -5.676 102 H GLY 13 H GLY 13 8.701 7.514 -7.459 103 HA2 GLY 13 2HA GLY 13 9.541 6.211 -9.231 104 HA3 GLY 13 1HA GLY 13 7.919 5.604 -9.529 105 H SER 14 H SER 14 7.324 6.149 -11.519 106 HA SER 14 HA SER 14 8.369 8.434 -12.879 107 HB2 SER 14 2HB SER 14 7.350 6.088 -13.745 108 HB3 SER 14 1HB SER 14 5.937 7.120 -13.957 109 HG SER 14 HG SER 14 6.880 7.999 -15.609 110 H SER 15 H SER 15 7.800 10.292 -11.808 111 HA SER 15 HA SER 15 4.923 10.935 -11.775 112 HB2 SER 15 2HB SER 15 6.867 12.299 -9.938 113 HB3 SER 15 1HB SER 15 5.128 12.084 -9.757 114 HG SER 15 HG SER 15 5.621 9.785 -9.513 115 H GLY 16 H GLY 16 8.197 12.305 -12.098 116 HA2 GLY 16 2HA GLY 16 7.348 13.986 -14.267 117 HA3 GLY 16 1HA GLY 16 7.655 14.891 -12.794 118 H SER 17 H SER 17 9.175 15.669 -14.762 119 HA SER 17 HA SER 17 11.647 14.138 -14.847 120 HB2 SER 17 2HB SER 17 10.891 15.151 -16.928 121 HB3 SER 17 1HB SER 17 10.869 16.747 -16.178 122 HG SER 17 HG SER 17 13.166 15.118 -16.555 123 H SER 18 H SER 18 10.649 17.435 -13.894 124 HA SER 18 HA SER 18 13.076 17.608 -12.241 125 HB2 SER 18 2HB SER 18 12.757 19.364 -13.991 126 HB3 SER 18 1HB SER 18 11.291 19.879 -13.153 127 HG SER 18 HG SER 18 13.439 20.950 -12.674 128 H GLN 19 H GLN 19 10.669 16.157 -11.460 129 HA GLN 19 HA GLN 19 9.566 17.832 -9.328 130 HB2 GLN 19 2HB GLN 19 8.109 16.382 -10.860 131 HB3 GLN 19 1HB GLN 19 8.743 15.004 -9.972 132 HG2 GLN 19 2HG GLN 19 7.880 15.994 -7.886 133 HG3 GLN 19 1HG GLN 19 7.176 17.306 -8.832 134 HE21 GLN 19 1HE2 GLN 19 6.445 14.538 -7.316 135 HE22 GLN 19 2HE2 GLN 19 5.086 14.022 -8.249 136 H SER 20 H SER 20 11.074 17.922 -7.745 137 HA SER 20 HA SER 20 12.729 15.766 -6.962 138 HB2 SER 20 2HB SER 20 11.966 18.271 -5.442 139 HB3 SER 20 1HB SER 20 13.276 17.178 -5.000 140 HG SER 20 HG SER 20 13.075 18.908 -7.211 141 H LEU 21 H LEU 21 12.738 15.180 -4.473 142 HA LEU 21 HA LEU 21 10.464 13.559 -4.029 143 HB2 LEU 21 2HB LEU 21 12.451 14.330 -1.902 144 HB3 LEU 21 1HB LEU 21 11.497 12.865 -2.009 145 HG LEU 21 HG LEU 21 12.978 12.733 -4.315 146 HD11 LEU 21 1HD1 LEU 21 14.206 14.763 -3.014 147 HD12 LEU 21 2HD1 LEU 21 15.018 13.661 -4.126 148 HD13 LEU 21 3HD1 LEU 21 15.101 13.379 -2.388 149 HD21 LEU 21 3HD2 LEU 21 12.509 11.077 -2.361 150 HD22 LEU 21 1HD2 LEU 21 14.073 11.628 -1.762 151 HD23 LEU 21 2HD2 LEU 21 13.954 10.873 -3.350 152 H ILE 22 H ILE 22 8.967 13.628 -2.288 153 HA ILE 22 HA ILE 22 8.623 16.106 -0.817 154 HB ILE 22 HB ILE 22 7.481 16.604 -2.927 155 HG12 ILE 22 2HG1 ILE 22 5.143 16.172 -1.161 156 HG13 ILE 22 1HG1 ILE 22 6.507 17.025 -0.425 157 HG21 ILE 22 1HG2 ILE 22 6.963 14.174 -3.414 158 HG22 ILE 22 2HG2 ILE 22 5.703 15.342 -3.808 159 HG23 ILE 22 3HG2 ILE 22 5.570 14.359 -2.350 160 HD11 ILE 22 3HD1 ILE 22 5.645 18.865 -1.314 161 HD12 ILE 22 1HD1 ILE 22 4.551 17.949 -2.351 162 HD13 ILE 22 2HD1 ILE 22 6.206 18.262 -2.875 163 H ASP 23 H ASP 23 7.188 12.972 -1.692 164 HA ASP 23 HA ASP 23 7.020 12.170 1.052 165 HB2 ASP 23 2HB ASP 23 4.809 13.546 0.103 166 HB3 ASP 23 1HB ASP 23 4.359 11.858 -0.114 167 H GLU 24 H GLU 24 7.977 10.248 0.764 168 HA GLU 24 HA GLU 24 7.574 8.687 -1.608 169 HB2 GLU 24 2HB GLU 24 9.258 8.501 0.822 170 HB3 GLU 24 1HB GLU 24 8.861 6.978 0.037 171 HG2 GLU 24 2HG GLU 24 9.614 8.276 -2.122 172 HG3 GLU 24 1HG GLU 24 10.498 9.253 -0.950 173 H ASP 25 H ASP 25 5.243 8.555 -1.407 174 HA ASP 25 HA ASP 25 3.883 7.239 0.642 175 HB2 ASP 25 2HB ASP 25 3.260 7.562 -2.294 176 HB3 ASP 25 1HB ASP 25 2.147 6.789 -1.172 177 H ALA 26 H ALA 26 4.114 5.750 -2.577 178 HA ALA 26 HA ALA 26 5.582 3.477 -1.933 179 HB1 ALA 26 1HB ALA 26 2.822 2.476 -2.009 180 HB2 ALA 26 2HB ALA 26 3.243 3.356 -0.541 181 HB3 ALA 26 3HB ALA 26 4.192 1.953 -1.030 182 H VAL 27 H VAL 27 5.266 1.697 -3.579 183 HA VAL 27 HA VAL 27 4.040 2.736 -6.046 184 HB VAL 27 HB VAL 27 5.925 1.541 -7.283 185 HG11 VAL 27 1HG1 VAL 27 6.040 4.113 -5.836 186 HG12 VAL 27 2HG1 VAL 27 6.153 3.774 -7.562 187 HG13 VAL 27 3HG1 VAL 27 7.557 3.532 -6.522 188 HG21 VAL 27 3HG2 VAL 27 7.716 0.694 -6.216 189 HG22 VAL 27 1HG2 VAL 27 6.631 0.614 -4.829 190 HG23 VAL 27 2HG2 VAL 27 7.733 1.979 -5.009 191 H CYS 28 H CYS 28 2.389 1.452 -6.532 192 HA CYS 28 HA CYS 28 2.088 -1.174 -5.567 193 HB2 CYS 28 2HB CYS 28 0.115 0.042 -6.033 194 HB3 CYS 28 1HB CYS 28 0.634 0.394 -7.687 195 H SER 29 H SER 29 2.053 -3.164 -6.680 196 HA SER 29 HA SER 29 4.004 -3.302 -8.861 197 HB2 SER 29 2HB SER 29 2.905 -5.535 -7.140 198 HB3 SER 29 1HB SER 29 4.241 -5.656 -8.285 199 HG SER 29 HG SER 29 5.448 -5.103 -6.666 200 H ILE 30 H ILE 30 0.671 -4.217 -8.062 201 HA ILE 30 HA ILE 30 0.192 -5.754 -10.393 202 HB ILE 30 HB ILE 30 -1.641 -4.354 -8.457 203 HG12 ILE 30 2HG1 ILE 30 -2.257 -7.012 -8.418 204 HG13 ILE 30 1HG1 ILE 30 -0.532 -7.068 -8.811 205 HG21 ILE 30 1HG2 ILE 30 -3.529 -5.522 -9.567 206 HG22 ILE 30 2HG2 ILE 30 -2.437 -5.965 -10.879 207 HG23 ILE 30 3HG2 ILE 30 -2.797 -4.265 -10.566 208 HD11 ILE 30 3HD1 ILE 30 -1.772 -6.685 -6.291 209 HD12 ILE 30 1HD1 ILE 30 -0.881 -5.218 -6.693 210 HD13 ILE 30 2HD1 ILE 30 -0.054 -6.775 -6.675 211 H CYS 31 H CYS 31 0.268 -2.331 -9.802 212 HA CYS 31 HA CYS 31 -0.239 -1.828 -12.613 213 HB2 CYS 31 2HB CYS 31 -2.123 -0.487 -12.363 214 HB3 CYS 31 1HB CYS 31 -2.423 -1.772 -11.187 215 H MET 32 H MET 32 -0.056 0.660 -13.009 216 HA MET 32 HA MET 32 2.040 1.777 -11.267 217 HB2 MET 32 2HB MET 32 2.744 0.783 -13.593 218 HB3 MET 32 1HB MET 32 2.068 2.278 -14.223 219 HG2 MET 32 2HG MET 32 3.614 3.588 -12.949 220 HG3 MET 32 1HG MET 32 4.214 2.152 -12.120 221 HE1 MET 32 3HE MET 32 5.480 0.023 -14.869 222 HE2 MET 32 1HE MET 32 5.050 0.233 -13.172 223 HE3 MET 32 2HE MET 32 6.667 0.661 -13.732 224 H ASP 33 H ASP 33 -0.563 2.429 -10.861 225 HA ASP 33 HA ASP 33 -2.035 4.145 -10.688 226 HB2 ASP 33 2HB ASP 33 0.446 5.213 -10.247 227 HB3 ASP 33 1HB ASP 33 -0.165 6.254 -11.541 228 H GLY 34 H GLY 34 -1.802 2.829 -13.263 229 HA2 GLY 34 2HA GLY 34 -2.260 4.980 -15.195 230 HA3 GLY 34 1HA GLY 34 -2.093 3.261 -15.565 231 H GLU 35 H GLU 35 -4.087 2.931 -13.155 232 HA GLU 35 HA GLU 35 -6.382 2.475 -14.689 233 HB2 GLU 35 2HB GLU 35 -5.904 2.718 -11.729 234 HB3 GLU 35 1HB GLU 35 -7.519 2.448 -12.367 235 HG2 GLU 35 2HG GLU 35 -5.351 0.647 -13.286 236 HG3 GLU 35 1HG GLU 35 -5.945 0.458 -11.635 237 H SER 36 H SER 36 -8.547 3.473 -14.310 238 HA SER 36 HA SER 36 -8.298 6.384 -14.435 239 HB2 SER 36 2HB SER 36 -9.669 4.646 -16.029 240 HB3 SER 36 1HB SER 36 -10.943 5.171 -14.928 241 HG SER 36 HG SER 36 -10.973 6.691 -16.464 242 H GLN 37 H GLN 37 -8.109 5.057 -11.861 243 HA GLN 37 HA GLN 37 -10.638 5.702 -10.550 244 HB2 GLN 37 2HB GLN 37 -9.154 3.588 -10.112 245 HB3 GLN 37 1HB GLN 37 -8.211 4.691 -9.101 246 HG2 GLN 37 2HG GLN 37 -10.078 5.114 -7.693 247 HG3 GLN 37 1HG GLN 37 -11.175 4.276 -8.790 248 HE21 GLN 37 1HE2 GLN 37 -10.640 3.801 -5.956 249 HE22 GLN 37 2HE2 GLN 37 -10.120 2.157 -5.838 250 H ASN 38 H ASN 38 -10.941 7.460 -9.302 251 HA ASN 38 HA ASN 38 -9.127 9.621 -9.438 252 HB2 ASN 38 2HB ASN 38 -11.742 9.108 -8.148 253 HB3 ASN 38 1HB ASN 38 -10.760 10.372 -7.415 254 HD21 ASN 38 1HD2 ASN 38 -10.960 12.333 -8.234 255 HD22 ASN 38 2HD2 ASN 38 -11.574 12.718 -9.803 256 H SER 39 H SER 39 -9.935 7.372 -6.796 257 HA SER 39 HA SER 39 -7.451 8.206 -5.451 258 HB2 SER 39 2HB SER 39 -8.479 8.159 -3.319 259 HB3 SER 39 1HB SER 39 -9.616 9.031 -4.353 260 HG SER 39 HG SER 39 -10.881 7.199 -4.470 261 H ASN 40 H ASN 40 -6.340 6.584 -4.276 262 HA ASN 40 HA ASN 40 -7.307 3.844 -4.433 263 HB2 ASN 40 2HB ASN 40 -5.049 3.126 -5.417 264 HB3 ASN 40 1HB ASN 40 -6.207 3.858 -6.520 265 HD21 ASN 40 1HD2 ASN 40 -3.404 4.602 -4.492 266 HD22 ASN 40 2HD2 ASN 40 -2.786 5.856 -5.507 267 H VAL 41 H VAL 41 -6.404 2.477 -2.901 268 HA VAL 41 HA VAL 41 -4.610 3.787 -0.969 269 HB VAL 41 HB VAL 41 -5.481 2.129 0.702 270 HG11 VAL 41 1HG1 VAL 41 -7.933 3.323 0.471 271 HG12 VAL 41 2HG1 VAL 41 -6.893 4.411 -0.445 272 HG13 VAL 41 3HG1 VAL 41 -6.512 4.036 1.235 273 HG21 VAL 41 3HG2 VAL 41 -7.709 1.116 0.186 274 HG22 VAL 41 1HG2 VAL 41 -6.361 0.413 -0.708 275 HG23 VAL 41 2HG2 VAL 41 -7.453 1.548 -1.504 276 H ILE 42 H ILE 42 -2.583 3.106 -1.093 277 HA ILE 42 HA ILE 42 -1.971 0.468 -2.151 278 HB ILE 42 HB ILE 42 -0.669 2.577 -2.748 279 HG12 ILE 42 2HG1 ILE 42 1.351 0.675 -1.731 280 HG13 ILE 42 1HG1 ILE 42 0.062 -0.045 -2.707 281 HG21 ILE 42 1HG2 ILE 42 -0.484 2.979 -0.091 282 HG22 ILE 42 2HG2 ILE 42 0.632 3.667 -1.270 283 HG23 ILE 42 3HG2 ILE 42 1.065 2.194 -0.400 284 HD11 ILE 42 3HD1 ILE 42 0.667 1.148 -4.600 285 HD12 ILE 42 1HD1 ILE 42 2.219 0.740 -3.862 286 HD13 ILE 42 2HD1 ILE 42 1.552 2.362 -3.673 287 H LEU 43 H LEU 43 -0.483 -0.994 -0.978 288 HA LEU 43 HA LEU 43 -0.645 -0.684 1.937 289 HB2 LEU 43 2HB LEU 43 -1.380 -3.122 0.330 290 HB3 LEU 43 1HB LEU 43 -1.068 -3.167 2.056 291 HG LEU 43 HG LEU 43 -3.251 -1.587 0.704 292 HD11 LEU 43 1HD1 LEU 43 -3.278 -4.125 2.315 293 HD12 LEU 43 2HD1 LEU 43 -3.811 -3.894 0.649 294 HD13 LEU 43 3HD1 LEU 43 -4.719 -3.165 1.974 295 HD21 LEU 43 3HD2 LEU 43 -4.008 -1.356 3.137 296 HD22 LEU 43 1HD2 LEU 43 -2.673 -0.342 2.590 297 HD23 LEU 43 2HD2 LEU 43 -2.348 -1.782 3.556 298 H PHE 44 H PHE 44 1.245 -0.827 2.852 299 HA PHE 44 HA PHE 44 3.444 -2.161 1.432 300 HB2 PHE 44 2HB PHE 44 3.326 0.326 2.595 301 HB3 PHE 44 1HB PHE 44 4.091 -0.632 3.858 302 HD1 PHE 44 1HD PHE 44 4.330 -0.022 0.190 303 HD2 PHE 44 2HD PHE 44 6.377 -0.854 3.827 304 HE1 PHE 44 1HE PHE 44 6.489 0.185 -0.979 305 HE2 PHE 44 2HE PHE 44 8.534 -0.651 2.665 306 HZ PHE 44 HZ PHE 44 8.593 -0.129 0.260 307 H CYS 45 H CYS 45 4.508 -3.907 2.313 308 HA CYS 45 HA CYS 45 3.184 -5.348 4.367 309 HB2 CYS 45 2HB CYS 45 4.636 -6.278 2.458 310 HB3 CYS 45 1HB CYS 45 6.011 -5.914 3.514 311 H ASP 46 H ASP 46 3.965 -5.981 6.436 312 HA ASP 46 HA ASP 46 5.278 -3.806 7.818 313 HB2 ASP 46 2HB ASP 46 3.583 -6.092 8.572 314 HB3 ASP 46 1HB ASP 46 4.829 -5.666 9.755 315 H MET 47 H MET 47 6.269 -6.796 6.451 316 HA MET 47 HA MET 47 8.834 -6.542 7.874 317 HB2 MET 47 2HB MET 47 7.204 -9.027 7.390 318 HB3 MET 47 1HB MET 47 8.959 -9.122 7.538 319 HG2 MET 47 2HG MET 47 7.529 -7.638 9.656 320 HG3 MET 47 1HG MET 47 7.286 -9.383 9.604 321 HE1 MET 47 3HE MET 47 10.501 -10.980 9.903 322 HE2 MET 47 1HE MET 47 8.743 -11.032 9.770 323 HE3 MET 47 2HE MET 47 9.504 -10.879 11.354 324 H CYS 48 H CYS 48 7.463 -5.905 5.151 325 HA CYS 48 HA CYS 48 9.765 -6.584 3.526 326 HB2 CYS 48 2HB CYS 48 6.959 -7.208 2.579 327 HB3 CYS 48 1HB CYS 48 8.479 -7.594 1.786 328 H ASN 49 H ASN 49 9.113 -5.668 1.144 329 HA ASN 49 HA ASN 49 8.178 -2.915 1.597 330 HB2 ASN 49 2HB ASN 49 9.990 -3.846 -0.640 331 HB3 ASN 49 1HB ASN 49 9.631 -2.180 -0.165 332 HD21 ASN 49 1HD2 ASN 49 10.031 -2.031 2.431 333 HD22 ASN 49 2HD2 ASN 49 11.636 -2.497 2.868 334 H LEU 50 H LEU 50 6.851 -5.619 0.611 335 HA LEU 50 HA LEU 50 5.999 -5.207 -2.028 336 HB2 LEU 50 2HB LEU 50 5.778 -7.363 -0.936 337 HB3 LEU 50 1HB LEU 50 4.649 -6.684 0.237 338 HG LEU 50 HG LEU 50 3.320 -6.102 -2.029 339 HD11 LEU 50 1HD1 LEU 50 3.519 -7.763 -3.681 340 HD12 LEU 50 2HD1 LEU 50 4.575 -8.755 -2.674 341 HD13 LEU 50 3HD1 LEU 50 5.166 -7.234 -3.344 342 HD21 LEU 50 3HD2 LEU 50 2.680 -7.460 0.054 343 HD22 LEU 50 1HD2 LEU 50 3.144 -8.872 -0.896 344 HD23 LEU 50 2HD2 LEU 50 1.849 -7.815 -1.460 345 H ALA 51 H ALA 51 5.141 -3.316 -2.618 346 HA ALA 51 HA ALA 51 2.968 -2.184 -0.997 347 HB1 ALA 51 1HB ALA 51 5.164 -0.914 -1.905 348 HB2 ALA 51 2HB ALA 51 3.625 -0.109 -1.605 349 HB3 ALA 51 3HB ALA 51 4.055 -0.607 -3.241 350 H VAL 52 H VAL 52 1.008 -2.860 -1.688 351 HA VAL 52 HA VAL 52 0.375 -2.589 -4.528 352 HB VAL 52 HB VAL 52 -0.842 -4.814 -4.477 353 HG11 VAL 52 1HG1 VAL 52 2.151 -4.621 -4.469 354 HG12 VAL 52 2HG1 VAL 52 1.051 -4.685 -5.845 355 HG13 VAL 52 3HG1 VAL 52 1.310 -6.121 -4.855 356 HG21 VAL 52 3HG2 VAL 52 0.808 -6.248 -2.744 357 HG22 VAL 52 1HG2 VAL 52 -0.913 -5.914 -2.546 358 HG23 VAL 52 2HG2 VAL 52 0.282 -4.840 -1.818 359 H HIS 53 H HIS 53 -1.698 -1.907 -4.902 360 HA HIS 53 HA HIS 53 -3.232 -0.924 -2.748 361 HB2 HIS 53 2HB HIS 53 -4.235 -1.540 -5.537 362 HB3 HIS 53 1HB HIS 53 -4.988 -0.465 -4.374 363 HD2 HIS 53 2HD HIS 53 -3.377 1.907 -3.830 364 HE1 HIS 53 1HE HIS 53 -1.544 1.646 -7.636 365 HE2 HIS 53 2HE HIS 53 -2.061 3.168 -5.676 366 H GLN 54 H GLN 54 -5.013 -1.732 -1.669 367 HA GLN 54 HA GLN 54 -5.250 -4.529 -1.409 368 HB2 GLN 54 2HB GLN 54 -7.171 -4.071 0.025 369 HB3 GLN 54 1HB GLN 54 -5.843 -2.983 0.398 370 HG2 GLN 54 2HG GLN 54 -7.148 -1.229 0.092 371 HG3 GLN 54 1HG GLN 54 -7.508 -1.750 -1.562 372 HE21 GLN 54 1HE2 GLN 54 -8.362 -2.693 1.764 373 HE22 GLN 54 2HE2 GLN 54 -10.052 -2.873 1.455 374 H GLU 55 H GLU 55 -6.619 -2.357 -3.679 375 HA GLU 55 HA GLU 55 -8.832 -4.117 -4.384 376 HB2 GLU 55 2HB GLU 55 -8.585 -1.407 -4.470 377 HB3 GLU 55 1HB GLU 55 -8.166 -1.825 -6.126 378 HG2 GLU 55 2HG GLU 55 -10.613 -3.017 -4.931 379 HG3 GLU 55 1HG GLU 55 -10.640 -1.326 -5.428 380 H CYS 56 H CYS 56 -5.624 -3.319 -5.301 381 HA CYS 56 HA CYS 56 -5.683 -4.417 -7.936 382 HB2 CYS 56 2HB CYS 56 -3.887 -2.916 -6.267 383 HB3 CYS 56 1HB CYS 56 -3.050 -4.281 -6.944 384 H TYR 57 H TYR 57 -4.610 -5.452 -4.730 385 HA TYR 57 HA TYR 57 -3.707 -8.004 -5.751 386 HB2 TYR 57 2HB TYR 57 -2.781 -6.522 -3.725 387 HB3 TYR 57 1HB TYR 57 -3.911 -7.529 -2.825 388 HD1 TYR 57 1HD TYR 57 -3.680 -10.089 -3.111 389 HD2 TYR 57 2HD TYR 57 -0.652 -7.317 -4.234 390 HE1 TYR 57 1HE TYR 57 -2.010 -11.890 -3.032 391 HE2 TYR 57 2HE TYR 57 1.025 -9.111 -4.157 392 HH TYR 57 HH TYR 57 0.748 -11.909 -4.438 393 H GLY 58 H GLY 58 -6.380 -6.715 -3.853 394 HA2 GLY 58 2HA GLY 58 -8.552 -7.705 -3.929 395 HA3 GLY 58 1HA GLY 58 -7.792 -9.271 -4.230 396 H VAL 59 H VAL 59 -6.803 -6.969 -1.744 397 HA VAL 59 HA VAL 59 -6.795 -8.921 0.298 398 HB VAL 59 HB VAL 59 -6.842 -5.915 0.632 399 HG11 VAL 59 1HG1 VAL 59 -7.296 -7.354 2.656 400 HG12 VAL 59 2HG1 VAL 59 -5.930 -6.247 2.786 401 HG13 VAL 59 3HG1 VAL 59 -5.650 -7.963 2.484 402 HG21 VAL 59 3HG2 VAL 59 -4.349 -6.168 0.797 403 HG22 VAL 59 1HG2 VAL 59 -5.019 -6.432 -0.812 404 HG23 VAL 59 2HG2 VAL 59 -4.542 -7.809 0.181 405 HA PRO 60 HA PRO 60 -11.107 -9.026 1.354 406 HB2 PRO 60 2HB PRO 60 -10.846 -9.874 3.960 407 HB3 PRO 60 1HB PRO 60 -10.786 -10.941 2.549 408 HG2 PRO 60 2HG PRO 60 -8.545 -9.787 4.156 409 HG3 PRO 60 1HG PRO 60 -8.710 -11.409 3.462 410 HD2 PRO 60 2HD PRO 60 -7.171 -9.517 2.320 411 HD3 PRO 60 1HD PRO 60 -8.062 -10.713 1.355 412 H TYR 61 H TYR 61 -9.015 -7.789 3.987 413 HA TYR 61 HA TYR 61 -10.638 -5.367 4.092 414 HB2 TYR 61 2HB TYR 61 -10.045 -6.794 6.678 415 HB3 TYR 61 1HB TYR 61 -11.222 -5.510 6.365 416 HD1 TYR 61 2HD TYR 61 -13.269 -6.090 4.958 417 HD2 TYR 61 1HD TYR 61 -10.674 -9.040 6.586 418 HE1 TYR 61 2HE TYR 61 -15.028 -7.785 4.673 419 HE2 TYR 61 1HE TYR 61 -12.427 -10.747 6.303 420 HH TYR 61 HH TYR 61 -14.857 -10.588 4.388 421 H ILE 62 H ILE 62 -9.592 -4.133 6.273 422 HA ILE 62 HA ILE 62 -6.684 -4.132 5.785 423 HB ILE 62 HB ILE 62 -8.397 -1.693 6.288 424 HG12 ILE 62 2HG1 ILE 62 -6.846 -2.272 3.776 425 HG13 ILE 62 1HG1 ILE 62 -8.488 -2.872 3.977 426 HG21 ILE 62 1HG2 ILE 62 -6.359 -1.128 7.202 427 HG22 ILE 62 2HG2 ILE 62 -6.153 -0.600 5.532 428 HG23 ILE 62 3HG2 ILE 62 -5.450 -2.127 6.067 429 HD11 ILE 62 3HD1 ILE 62 -7.515 -0.157 3.452 430 HD12 ILE 62 1HD1 ILE 62 -8.823 -0.272 4.628 431 HD13 ILE 62 2HD1 ILE 62 -9.036 -0.929 3.006 432 HA PRO 63 HA PRO 63 -7.088 -4.842 10.268 433 HB2 PRO 63 2HB PRO 63 -4.636 -5.951 10.576 434 HB3 PRO 63 1HB PRO 63 -6.031 -6.861 9.966 435 HG2 PRO 63 2HG PRO 63 -3.782 -5.590 8.445 436 HG3 PRO 63 1HG PRO 63 -4.528 -7.181 8.216 437 HD2 PRO 63 2HD PRO 63 -5.137 -5.040 6.668 438 HD3 PRO 63 1HD PRO 63 -6.311 -6.317 7.044 439 H GLU 64 H GLU 64 -6.191 -3.827 12.071 440 HA GLU 64 HA GLU 64 -4.524 -1.498 11.463 441 HB2 GLU 64 2HB GLU 64 -6.488 -2.181 13.606 442 HB3 GLU 64 1HB GLU 64 -5.220 -1.022 13.979 443 HG2 GLU 64 2HG GLU 64 -7.022 0.279 13.290 444 HG3 GLU 64 1HG GLU 64 -5.962 0.219 11.882 445 H GLY 65 H GLY 65 -3.345 -4.165 11.640 446 HA2 GLY 65 2HA GLY 65 -1.528 -3.676 13.916 447 HA3 GLY 65 1HA GLY 65 -2.081 -5.295 13.514 448 H GLN 66 H GLN 66 -0.670 -6.472 12.402 449 HA GLN 66 HA GLN 66 1.308 -5.066 10.726 450 HB2 GLN 66 2HB GLN 66 1.595 -7.860 11.830 451 HB3 GLN 66 1HB GLN 66 2.842 -6.850 11.115 452 HG2 GLN 66 2HG GLN 66 1.573 -5.667 13.465 453 HG3 GLN 66 1HG GLN 66 2.403 -7.188 13.784 454 HE21 GLN 66 1HE2 GLN 66 4.546 -7.142 12.196 455 HE22 GLN 66 2HE2 GLN 66 5.570 -5.800 12.567 456 H TRP 67 H TRP 67 1.497 -5.567 8.609 457 HA TRP 67 HA TRP 67 -0.350 -7.590 7.545 458 HB2 TRP 67 2HB TRP 67 -0.580 -5.186 6.787 459 HB3 TRP 67 1HB TRP 67 0.986 -5.359 6.004 460 HD1 TRP 67 HD TRP 67 -2.061 -7.770 5.973 461 HE1 TRP 67 1HE TRP 67 -2.660 -8.255 3.519 462 HE3 TRP 67 3HE TRP 67 1.367 -4.742 3.681 463 HZ2 TRP 67 2HZ TRP 67 -1.796 -7.463 0.952 464 HZ3 TRP 67 3HZ TRP 67 1.414 -4.667 1.224 465 HH2 TRP 67 HH TRP 67 -0.135 -5.999 -0.112 466 H LEU 68 H LEU 68 0.519 -9.450 6.921 467 HA LEU 68 HA LEU 68 3.323 -9.470 6.001 468 HB2 LEU 68 2HB LEU 68 1.718 -11.605 7.409 469 HB3 LEU 68 1HB LEU 68 3.232 -11.940 6.596 470 HG LEU 68 HG LEU 68 3.343 -11.656 9.107 471 HD11 LEU 68 1HD1 LEU 68 5.052 -9.900 7.355 472 HD12 LEU 68 2HD1 LEU 68 5.333 -11.595 7.754 473 HD13 LEU 68 3HD1 LEU 68 5.441 -10.363 9.012 474 HD21 LEU 68 3HD2 LEU 68 3.269 -8.709 8.582 475 HD22 LEU 68 1HD2 LEU 68 3.166 -9.572 10.116 476 HD23 LEU 68 2HD2 LEU 68 1.802 -9.593 8.999 477 H CYS 69 H CYS 69 3.395 -9.621 3.842 478 HA CYS 69 HA CYS 69 1.273 -10.444 2.211 479 HB2 CYS 69 2HB CYS 69 2.902 -10.439 0.363 480 HB3 CYS 69 1HB CYS 69 3.052 -8.991 1.368 481 H ARG 70 H ARG 70 1.221 -12.296 0.757 482 HA ARG 70 HA ARG 70 1.134 -14.707 2.018 483 HB2 ARG 70 2HB ARG 70 1.700 -14.294 -0.914 484 HB3 ARG 70 1HB ARG 70 1.063 -15.760 -0.185 485 HG2 ARG 70 2HG ARG 70 -0.683 -13.804 0.674 486 HG3 ARG 70 1HG ARG 70 -0.308 -13.335 -0.985 487 HD2 ARG 70 2HD ARG 70 -0.719 -15.900 -1.440 488 HD3 ARG 70 1HD ARG 70 -1.657 -15.784 0.047 489 HE ARG 70 HE ARG 70 -2.391 -14.796 -2.519 490 HH11 ARG 70 1HH1 ARG 70 -2.704 -14.149 0.908 491 HH12 ARG 70 2HH1 ARG 70 -4.187 -13.271 0.733 492 HH21 ARG 70 1HH2 ARG 70 -4.342 -13.635 -2.746 493 HH22 ARG 70 2HH2 ARG 70 -5.117 -12.979 -1.342 494 H HIS 71 H HIS 71 4.029 -13.276 0.599 495 HA HIS 71 HA HIS 71 5.505 -15.715 0.524 496 HB2 HIS 71 2HB HIS 71 6.315 -12.816 0.369 497 HB3 HIS 71 1HB HIS 71 7.496 -14.120 0.346 498 HD1 HIS 71 1HD HIS 71 5.795 -16.052 -1.499 499 HD2 HIS 71 2HD HIS 71 6.625 -12.051 -2.262 500 HE1 HIS 71 1HE HIS 71 5.583 -15.784 -3.990 501 HE2 HIS 71 2HE HIS 71 6.030 -13.342 -4.423 502 H CYS 72 H CYS 72 5.417 -12.982 2.793 503 HA CYS 72 HA CYS 72 7.283 -14.303 4.540 504 HB2 CYS 72 2HB CYS 72 7.029 -12.372 5.966 505 HB3 CYS 72 1HB CYS 72 7.327 -11.894 4.287 506 H LEU 73 H LEU 73 3.797 -13.556 4.624 507 HA LEU 73 HA LEU 73 3.308 -14.572 7.188 508 HB2 LEU 73 2HB LEU 73 1.013 -14.625 6.637 509 HB3 LEU 73 1HB LEU 73 1.695 -13.257 5.781 510 HG LEU 73 HG LEU 73 1.843 -14.871 3.759 511 HD11 LEU 73 1HD1 LEU 73 0.282 -16.443 5.716 512 HD12 LEU 73 2HD1 LEU 73 1.320 -16.978 4.394 513 HD13 LEU 73 3HD1 LEU 73 -0.317 -16.419 4.057 514 HD21 LEU 73 3HD2 LEU 73 -0.781 -14.509 3.501 515 HD22 LEU 73 1HD2 LEU 73 0.371 -13.181 3.384 516 HD23 LEU 73 2HD2 LEU 73 -0.504 -13.456 4.889 517 H GLN 74 H GLN 74 4.023 -16.158 4.199 518 HA GLN 74 HA GLN 74 3.018 -18.737 5.072 519 HB2 GLN 74 2HB GLN 74 4.321 -17.681 2.621 520 HB3 GLN 74 1HB GLN 74 4.543 -19.388 2.973 521 HG2 GLN 74 2HG GLN 74 1.953 -19.366 3.287 522 HG3 GLN 74 1HG GLN 74 2.048 -17.906 2.305 523 HE21 GLN 74 1HE2 GLN 74 3.305 -21.225 2.354 524 HE22 GLN 74 2HE2 GLN 74 3.118 -21.501 0.660 525 H SER 75 H SER 75 6.122 -17.073 4.790 526 HA SER 75 HA SER 75 7.870 -19.157 5.336 527 HB2 SER 75 2HB SER 75 7.953 -16.211 5.925 528 HB3 SER 75 1HB SER 75 9.243 -17.268 6.506 529 HG SER 75 HG SER 75 8.766 -16.340 3.999 530 H ARG 76 H ARG 76 5.863 -17.275 7.545 531 HA ARG 76 HA ARG 76 6.963 -18.630 9.872 532 HB2 ARG 76 2HB ARG 76 6.434 -16.241 10.031 533 HB3 ARG 76 1HB ARG 76 4.751 -16.583 9.654 534 HG2 ARG 76 2HG ARG 76 4.444 -17.744 11.712 535 HG3 ARG 76 1HG ARG 76 6.173 -17.693 12.059 536 HD2 ARG 76 2HD ARG 76 6.091 -15.281 12.272 537 HD3 ARG 76 1HD ARG 76 4.388 -15.274 11.821 538 HE ARG 76 HE ARG 76 3.866 -15.818 13.972 539 HH11 ARG 76 1HH1 ARG 76 7.241 -16.588 13.442 540 HH12 ARG 76 2HH1 ARG 76 7.535 -17.002 15.096 541 HH21 ARG 76 1HH2 ARG 76 4.258 -16.362 16.152 542 HH22 ARG 76 2HH2 ARG 76 5.840 -16.874 16.637 543 H ALA 77 H ALA 77 4.016 -18.624 7.930 544 HA ALA 77 HA ALA 77 2.484 -20.266 9.675 545 HB1 ALA 77 1HB ALA 77 2.092 -19.976 6.705 546 HB2 ALA 77 2HB ALA 77 1.550 -18.783 7.883 547 HB3 ALA 77 3HB ALA 77 0.890 -20.417 7.916 548 H ARG 78 H ARG 78 4.915 -20.948 7.284 549 HA ARG 78 HA ARG 78 4.298 -23.524 6.505 550 HB2 ARG 78 2HB ARG 78 6.864 -22.033 6.842 551 HB3 ARG 78 1HB ARG 78 6.935 -23.764 6.535 552 HG2 ARG 78 2HG ARG 78 5.108 -22.460 4.722 553 HG3 ARG 78 1HG ARG 78 6.712 -21.728 4.660 554 HD2 ARG 78 2HD ARG 78 7.664 -24.022 4.397 555 HD3 ARG 78 1HD ARG 78 6.016 -24.636 4.269 556 HE ARG 78 HE ARG 78 5.964 -23.903 2.111 557 HH11 ARG 78 1HH1 ARG 78 8.548 -22.215 3.769 558 HH12 ARG 78 2HH1 ARG 78 9.141 -21.455 2.331 559 HH21 ARG 78 1HH2 ARG 78 6.746 -22.897 0.220 560 HH22 ARG 78 2HH2 ARG 78 8.117 -21.843 0.314 561 HA PRO 79 HA PRO 79 6.679 -25.387 10.280 562 HB2 PRO 79 2HB PRO 79 7.319 -23.693 12.319 563 HB3 PRO 79 1HB PRO 79 8.413 -24.059 10.982 564 HG2 PRO 79 2HG PRO 79 6.619 -21.692 11.368 565 HG3 PRO 79 1HG PRO 79 8.298 -21.743 10.796 566 HD2 PRO 79 2HD PRO 79 6.219 -21.489 9.102 567 HD3 PRO 79 1HD PRO 79 7.682 -22.391 8.662 568 H ALA 80 H ALA 80 5.684 -26.322 12.057 569 HA ALA 80 HA ALA 80 4.024 -26.839 13.520 570 HB1 ALA 80 1HB ALA 80 3.113 -24.062 13.909 571 HB2 ALA 80 2HB ALA 80 4.812 -24.373 14.263 572 HB3 ALA 80 3HB ALA 80 3.556 -25.292 15.094 Start of MODEL 4 1 H1 ALA 1 1HT ALA 1 -2.737 -1.619 9.058 2 H2 ALA 1 2HT ALA 1 -1.229 -1.682 9.877 3 H3 ALA 1 3HT ALA 1 -2.055 -3.134 9.483 4 HA ALA 1 HA ALA 1 -0.151 -2.596 8.056 5 HB1 ALA 1 2HB ALA 1 -2.473 -2.551 6.244 6 HB2 ALA 1 3HB ALA 1 -2.487 -3.817 7.473 7 HB3 ALA 1 1HB ALA 1 -1.133 -3.692 6.350 8 H ARG 2 H ARG 2 0.934 -1.098 6.909 9 HA ARG 2 HA ARG 2 0.119 1.601 6.919 10 HB2 ARG 2 2HB ARG 2 2.462 0.137 6.255 11 HB3 ARG 2 1HB ARG 2 2.079 1.157 4.876 12 HG2 ARG 2 2HG ARG 2 3.107 2.807 5.935 13 HG3 ARG 2 1HG ARG 2 1.759 2.825 7.072 14 HD2 ARG 2 2HD ARG 2 4.157 2.612 7.994 15 HD3 ARG 2 1HD ARG 2 2.905 1.564 8.648 16 HE ARG 2 HE ARG 2 4.081 -0.224 7.871 17 HH11 ARG 2 1HH1 ARG 2 5.111 2.599 6.068 18 HH12 ARG 2 2HH1 ARG 2 6.328 1.742 5.182 19 HH21 ARG 2 1HH2 ARG 2 5.675 -1.342 6.700 20 HH22 ARG 2 2HH2 ARG 2 6.647 -0.503 5.542 21 H THR 3 H THR 3 -1.417 2.499 5.717 22 HA THR 3 HA THR 3 -1.756 1.570 2.943 23 HB THR 3 HB THR 3 -4.065 2.745 4.437 24 HG1 THR 3 1HG THR 3 -3.566 1.181 5.869 25 HG21 THR 3 3HG2 THR 3 -4.834 0.493 2.988 26 HG22 THR 3 1HG2 THR 3 -3.686 1.354 1.962 27 HG23 THR 3 2HG2 THR 3 -5.112 2.185 2.583 28 H LYS 4 H LYS 4 -1.613 3.088 1.414 29 HA LYS 4 HA LYS 4 -1.578 5.909 2.262 30 HB2 LYS 4 2HB LYS 4 0.360 4.512 0.903 31 HB3 LYS 4 1HB LYS 4 -0.519 5.283 -0.410 32 HG2 LYS 4 2HG LYS 4 0.606 7.149 -0.034 33 HG3 LYS 4 1HG LYS 4 -0.133 7.255 1.566 34 HD2 LYS 4 2HD LYS 4 1.731 5.553 2.231 35 HD3 LYS 4 1HD LYS 4 2.530 6.143 0.774 36 HE2 LYS 4 2HE LYS 4 1.593 7.844 3.085 37 HE3 LYS 4 1HE LYS 4 3.258 7.351 2.788 38 HZ1 LYS 4 3HZ LYS 4 3.482 8.814 1.078 39 HZ2 LYS 4 1HZ LYS 4 2.345 9.667 1.993 40 HZ3 LYS 4 2HZ LYS 4 1.849 8.775 0.646 41 H GLN 5 H GLN 5 -2.984 7.338 1.355 42 HA GLN 5 HA GLN 5 -4.893 6.237 -0.595 43 HB2 GLN 5 2HB GLN 5 -5.716 6.994 1.681 44 HB3 GLN 5 1HB GLN 5 -5.319 8.635 1.187 45 HG2 GLN 5 2HG GLN 5 -6.974 7.195 -0.740 46 HG3 GLN 5 1HG GLN 5 -7.729 7.405 0.837 47 HE21 GLN 5 1HE2 GLN 5 -7.228 8.791 -2.132 48 HE22 GLN 5 2HE2 GLN 5 -7.613 10.429 -1.740 49 H THR 6 H THR 6 -4.913 7.013 -2.583 50 HA THR 6 HA THR 6 -4.025 9.763 -3.084 51 HB THR 6 HB THR 6 -2.839 8.947 -5.145 52 HG1 THR 6 1HG THR 6 -3.834 6.893 -5.254 53 HG21 THR 6 3HG2 THR 6 -1.114 9.312 -3.789 54 HG22 THR 6 1HG2 THR 6 -1.079 7.561 -3.584 55 HG23 THR 6 2HG2 THR 6 -1.921 8.570 -2.409 56 H ALA 7 H ALA 7 -5.714 10.767 -3.959 57 HA ALA 7 HA ALA 7 -7.265 9.374 -6.038 58 HB1 ALA 7 1HB ALA 7 -8.376 9.545 -3.715 59 HB2 ALA 7 2HB ALA 7 -9.313 9.989 -5.140 60 HB3 ALA 7 3HB ALA 7 -8.605 11.243 -4.123 61 H ARG 8 H ARG 8 -8.799 11.079 -7.139 62 HA ARG 8 HA ARG 8 -7.115 13.392 -7.838 63 HB2 ARG 8 2HB ARG 8 -7.946 11.520 -9.536 64 HB3 ARG 8 1HB ARG 8 -9.384 12.529 -9.574 65 HG2 ARG 8 2HG ARG 8 -8.196 14.374 -10.421 66 HG3 ARG 8 1HG ARG 8 -6.635 13.639 -10.052 67 HD2 ARG 8 2HD ARG 8 -7.201 11.836 -11.705 68 HD3 ARG 8 1HD ARG 8 -8.614 12.786 -12.163 69 HE ARG 8 HE ARG 8 -5.892 13.265 -12.912 70 HH11 ARG 8 1HH1 ARG 8 -8.990 14.804 -12.369 71 HH12 ARG 8 2HH1 ARG 8 -8.637 16.157 -13.389 72 HH21 ARG 8 1HH2 ARG 8 -5.432 15.052 -14.259 73 HH22 ARG 8 2HH2 ARG 8 -6.617 16.299 -14.462 74 H LYS 9 H LYS 9 -8.873 13.354 -5.549 75 HA LYS 9 HA LYS 9 -10.532 14.498 -4.511 76 HB2 LYS 9 2HB LYS 9 -10.513 16.873 -4.867 77 HB3 LYS 9 1HB LYS 9 -8.871 16.270 -5.019 78 HG2 LYS 9 2HG LYS 9 -8.790 16.664 -7.285 79 HG3 LYS 9 1HG LYS 9 -10.545 16.614 -7.465 80 HD2 LYS 9 2HD LYS 9 -10.230 18.721 -5.770 81 HD3 LYS 9 1HD LYS 9 -8.778 18.851 -6.764 82 HE2 LYS 9 2HE LYS 9 -10.011 19.100 -8.736 83 HE3 LYS 9 1HE LYS 9 -11.484 18.466 -7.999 84 HZ1 LYS 9 3HZ LYS 9 -11.794 20.765 -8.152 85 HZ2 LYS 9 1HZ LYS 9 -10.235 21.118 -7.595 86 HZ3 LYS 9 2HZ LYS 9 -11.398 20.504 -6.528 87 H SER 10 H SER 10 -12.364 16.437 -5.318 88 HA SER 10 HA SER 10 -13.837 15.504 -7.609 89 HB2 SER 10 2HB SER 10 -14.558 14.670 -4.848 90 HB3 SER 10 1HB SER 10 -15.881 15.154 -5.907 91 HG SER 10 HG SER 10 -15.100 13.603 -7.421 92 H THR 11 H THR 11 -16.063 16.626 -7.680 93 HA THR 11 HA THR 11 -15.682 19.404 -6.800 94 HB THR 11 HB THR 11 -15.841 19.169 -9.207 95 HG1 THR 11 1HG THR 11 -17.501 20.614 -9.557 96 HG21 THR 11 3HG2 THR 11 -17.082 17.623 -10.180 97 HG22 THR 11 1HG2 THR 11 -18.523 18.513 -9.689 98 HG23 THR 11 2HG2 THR 11 -17.877 17.242 -8.652 99 H GLY 12 H GLY 12 -16.447 18.450 -4.656 100 HA2 GLY 12 2HA GLY 12 -19.400 18.600 -4.556 101 HA3 GLY 12 1HA GLY 12 -18.484 17.492 -3.546 102 H GLY 13 H GLY 13 -17.240 18.332 -1.802 103 HA2 GLY 13 2HA GLY 13 -16.820 20.966 -1.126 104 HA3 GLY 13 1HA GLY 13 -18.431 20.604 -0.531 105 H SER 14 H SER 14 -18.688 19.248 1.236 106 HA SER 14 HA SER 14 -18.167 18.149 3.152 107 HB2 SER 14 2HB SER 14 -16.537 16.988 1.306 108 HB3 SER 14 1HB SER 14 -15.355 17.574 2.475 109 HG SER 14 HG SER 14 -17.521 15.806 2.901 110 H SER 15 H SER 15 -18.029 19.382 4.892 111 HA SER 15 HA SER 15 -15.833 21.312 5.148 112 HB2 SER 15 2HB SER 15 -18.584 21.115 6.325 113 HB3 SER 15 1HB SER 15 -17.346 22.052 7.164 114 HG SER 15 HG SER 15 -18.079 23.542 5.833 115 H GLY 16 H GLY 16 -14.285 21.130 6.672 116 HA2 GLY 16 2HA GLY 16 -14.400 20.051 9.184 117 HA3 GLY 16 1HA GLY 16 -14.070 18.672 8.148 118 H SER 17 H SER 17 -12.076 18.578 9.488 119 HA SER 17 HA SER 17 -10.005 20.324 8.327 120 HB2 SER 17 2HB SER 17 -9.622 19.269 11.095 121 HB3 SER 17 1HB SER 17 -9.014 20.752 10.363 122 HG SER 17 HG SER 17 -10.617 21.681 11.340 123 H SER 18 H SER 18 -8.958 19.018 6.946 124 HA SER 18 HA SER 18 -7.407 16.845 7.947 125 HB2 SER 18 2HB SER 18 -8.542 15.273 6.108 126 HB3 SER 18 1HB SER 18 -9.128 15.339 7.770 127 HG SER 18 HG SER 18 -10.709 15.597 5.960 128 H GLN 19 H GLN 19 -5.559 16.898 6.853 129 HA GLN 19 HA GLN 19 -5.595 17.410 3.977 130 HB2 GLN 19 2HB GLN 19 -3.659 19.003 4.241 131 HB3 GLN 19 1HB GLN 19 -5.215 19.612 4.782 132 HG2 GLN 19 2HG GLN 19 -3.660 18.304 6.882 133 HG3 GLN 19 1HG GLN 19 -2.888 19.731 6.195 134 HE21 GLN 19 1HE2 GLN 19 -3.967 21.742 6.333 135 HE22 GLN 19 2HE2 GLN 19 -5.187 22.017 7.525 136 H SER 20 H SER 20 -4.799 15.506 3.318 137 HA SER 20 HA SER 20 -2.708 14.136 4.740 138 HB2 SER 20 2HB SER 20 -4.691 13.267 3.105 139 HB3 SER 20 1HB SER 20 -3.334 13.279 1.977 140 HG SER 20 HG SER 20 -2.188 11.979 3.497 141 H LEU 21 H LEU 21 -0.582 14.261 4.424 142 HA LEU 21 HA LEU 21 0.398 15.842 2.142 143 HB2 LEU 21 2HB LEU 21 0.899 16.784 4.339 144 HB3 LEU 21 1HB LEU 21 1.670 15.286 4.824 145 HG LEU 21 HG LEU 21 2.785 16.558 2.402 146 HD11 LEU 21 1HD1 LEU 21 2.627 17.947 5.013 147 HD12 LEU 21 2HD1 LEU 21 2.737 18.602 3.379 148 HD13 LEU 21 3HD1 LEU 21 4.178 17.971 4.175 149 HD21 LEU 21 3HD2 LEU 21 4.870 15.841 3.391 150 HD22 LEU 21 1HD2 LEU 21 3.707 14.517 3.440 151 HD23 LEU 21 2HD2 LEU 21 4.052 15.440 4.901 152 H ILE 22 H ILE 22 2.184 15.127 0.937 153 HA ILE 22 HA ILE 22 2.484 12.240 0.863 154 HB ILE 22 HB ILE 22 3.850 12.640 -1.176 155 HG12 ILE 22 2HG1 ILE 22 3.089 15.316 -1.769 156 HG13 ILE 22 1HG1 ILE 22 3.862 15.331 -0.177 157 HG21 ILE 22 1HG2 ILE 22 1.379 14.174 -1.683 158 HG22 ILE 22 2HG2 ILE 22 1.189 12.594 -0.924 159 HG23 ILE 22 3HG2 ILE 22 2.009 12.733 -2.479 160 HD11 ILE 22 3HD1 ILE 22 5.647 15.652 -1.581 161 HD12 ILE 22 1HD1 ILE 22 4.997 14.594 -2.833 162 HD13 ILE 22 2HD1 ILE 22 5.685 13.902 -1.364 163 H ASP 23 H ASP 23 3.756 11.566 2.516 164 HA ASP 23 HA ASP 23 6.300 12.897 3.029 165 HB2 ASP 23 2HB ASP 23 6.457 11.416 4.982 166 HB3 ASP 23 1HB ASP 23 4.924 12.275 4.954 167 H GLU 24 H GLU 24 5.112 9.668 2.109 168 HA GLU 24 HA GLU 24 7.382 9.214 0.437 169 HB2 GLU 24 2HB GLU 24 8.030 8.639 2.949 170 HB3 GLU 24 1HB GLU 24 7.186 7.141 2.575 171 HG2 GLU 24 2HG GLU 24 9.129 6.423 1.773 172 HG3 GLU 24 1HG GLU 24 8.815 7.474 0.394 173 H ASP 25 H ASP 25 5.496 9.087 -0.940 174 HA ASP 25 HA ASP 25 3.493 7.130 -0.676 175 HB2 ASP 25 2HB ASP 25 4.530 8.668 -3.054 176 HB3 ASP 25 1HB ASP 25 3.166 7.560 -3.166 177 H ALA 26 H ALA 26 3.104 5.287 -2.123 178 HA ALA 26 HA ALA 26 5.600 3.822 -2.702 179 HB1 ALA 26 1HB ALA 26 3.759 3.122 -0.866 180 HB2 ALA 26 2HB ALA 26 4.773 1.964 -1.725 181 HB3 ALA 26 3HB ALA 26 3.127 2.274 -2.278 182 H VAL 27 H VAL 27 5.173 1.932 -4.280 183 HA VAL 27 HA VAL 27 3.425 2.824 -6.479 184 HB VAL 27 HB VAL 27 5.185 1.839 -8.040 185 HG11 VAL 27 1HG1 VAL 27 5.009 4.124 -8.207 186 HG12 VAL 27 2HG1 VAL 27 6.687 3.955 -7.694 187 HG13 VAL 27 3HG1 VAL 27 5.446 4.393 -6.520 188 HG21 VAL 27 3HG2 VAL 27 6.393 0.962 -5.781 189 HG22 VAL 27 1HG2 VAL 27 7.291 2.451 -6.074 190 HG23 VAL 27 2HG2 VAL 27 7.226 1.202 -7.317 191 H CYS 28 H CYS 28 1.901 1.347 -6.833 192 HA CYS 28 HA CYS 28 1.919 -1.245 -5.780 193 HB2 CYS 28 2HB CYS 28 -0.173 -0.214 -6.210 194 HB3 CYS 28 1HB CYS 28 0.225 0.034 -7.916 195 H SER 29 H SER 29 2.043 -3.290 -6.761 196 HA SER 29 HA SER 29 3.824 -3.368 -9.091 197 HB2 SER 29 2HB SER 29 3.299 -5.833 -7.519 198 HB3 SER 29 1HB SER 29 4.801 -5.242 -8.226 199 HG SER 29 HG SER 29 4.137 -5.118 -5.730 200 H ILE 30 H ILE 30 0.670 -4.524 -7.968 201 HA ILE 30 HA ILE 30 0.281 -6.418 -10.045 202 HB ILE 30 HB ILE 30 -1.583 -5.032 -8.141 203 HG12 ILE 30 2HG1 ILE 30 -1.938 -7.784 -8.027 204 HG13 ILE 30 1HG1 ILE 30 -0.206 -7.601 -8.340 205 HG21 ILE 30 1HG2 ILE 30 -2.399 -6.850 -10.406 206 HG22 ILE 30 2HG2 ILE 30 -2.869 -5.165 -10.179 207 HG23 ILE 30 3HG2 ILE 30 -3.439 -6.400 -9.054 208 HD11 ILE 30 3HD1 ILE 30 0.095 -7.210 -6.191 209 HD12 ILE 30 1HD1 ILE 30 -1.644 -7.269 -5.903 210 HD13 ILE 30 2HD1 ILE 30 -0.872 -5.743 -6.334 211 H CYS 31 H CYS 31 -0.203 -2.957 -9.827 212 HA CYS 31 HA CYS 31 -0.963 -2.939 -12.656 213 HB2 CYS 31 2HB CYS 31 -2.808 -1.529 -12.326 214 HB3 CYS 31 1HB CYS 31 -2.929 -2.699 -11.007 215 H MET 32 H MET 32 -0.314 -1.130 -13.834 216 HA MET 32 HA MET 32 1.726 0.524 -12.502 217 HB2 MET 32 2HB MET 32 1.374 -0.034 -15.460 218 HB3 MET 32 1HB MET 32 2.678 0.887 -14.728 219 HG2 MET 32 2HG MET 32 3.231 -1.245 -13.439 220 HG3 MET 32 1HG MET 32 2.163 -2.060 -14.580 221 HE1 MET 32 3HE MET 32 5.577 -3.160 -15.137 222 HE2 MET 32 1HE MET 32 5.055 -2.329 -13.672 223 HE3 MET 32 2HE MET 32 6.324 -1.630 -14.678 224 H ASP 33 H ASP 33 -0.730 1.377 -11.940 225 HA ASP 33 HA ASP 33 -2.133 3.159 -11.980 226 HB2 ASP 33 2HB ASP 33 0.112 4.410 -13.579 227 HB3 ASP 33 1HB ASP 33 -1.259 5.294 -12.898 228 H GLY 34 H GLY 34 -2.291 1.130 -14.131 229 HA2 GLY 34 2HA GLY 34 -3.422 2.759 -16.314 230 HA3 GLY 34 1HA GLY 34 -2.927 1.069 -16.454 231 H GLU 35 H GLU 35 -4.786 2.292 -13.749 232 HA GLU 35 HA GLU 35 -7.085 0.703 -14.679 233 HB2 GLU 35 2HB GLU 35 -7.705 0.577 -12.249 234 HB3 GLU 35 1HB GLU 35 -6.202 -0.237 -12.656 235 HG2 GLU 35 2HG GLU 35 -5.234 0.884 -11.014 236 HG3 GLU 35 1HG GLU 35 -5.452 2.355 -11.959 237 H SER 36 H SER 36 -9.222 1.508 -13.693 238 HA SER 36 HA SER 36 -9.297 4.445 -13.911 239 HB2 SER 36 2HB SER 36 -10.404 3.005 -15.750 240 HB3 SER 36 1HB SER 36 -11.642 2.663 -14.542 241 HG SER 36 HG SER 36 -10.856 5.246 -15.428 242 H GLN 37 H GLN 37 -9.177 4.952 -11.753 243 HA GLN 37 HA GLN 37 -11.586 4.447 -10.202 244 HB2 GLN 37 2HB GLN 37 -9.466 2.794 -9.780 245 HB3 GLN 37 1HB GLN 37 -9.104 4.090 -8.634 246 HG2 GLN 37 2HG GLN 37 -11.241 3.781 -7.559 247 HG3 GLN 37 1HG GLN 37 -11.707 2.577 -8.761 248 HE21 GLN 37 1HE2 GLN 37 -9.940 3.208 -5.881 249 HE22 GLN 37 2HE2 GLN 37 -9.411 1.588 -5.588 250 H ASN 38 H ASN 38 -12.066 6.075 -8.749 251 HA ASN 38 HA ASN 38 -10.764 8.584 -9.156 252 HB2 ASN 38 2HB ASN 38 -13.114 7.620 -7.627 253 HB3 ASN 38 1HB ASN 38 -12.346 9.084 -7.024 254 HD21 ASN 38 1HD2 ASN 38 -13.314 10.843 -7.738 255 HD22 ASN 38 2HD2 ASN 38 -14.003 11.061 -9.306 256 H SER 39 H SER 39 -11.070 6.447 -6.310 257 HA SER 39 HA SER 39 -8.538 7.550 -5.299 258 HB2 SER 39 2HB SER 39 -10.433 8.607 -4.088 259 HB3 SER 39 1HB SER 39 -10.976 7.001 -3.588 260 HG SER 39 HG SER 39 -9.339 6.853 -2.214 261 H ASN 40 H ASN 40 -7.104 6.034 -4.707 262 HA ASN 40 HA ASN 40 -8.089 3.312 -4.148 263 HB2 ASN 40 2HB ASN 40 -5.997 2.458 -5.257 264 HB3 ASN 40 1HB ASN 40 -7.148 3.213 -6.350 265 HD21 ASN 40 1HD2 ASN 40 -4.145 3.725 -4.584 266 HD22 ASN 40 2HD2 ASN 40 -3.512 4.926 -5.650 267 H VAL 41 H VAL 41 -6.439 1.951 -2.964 268 HA VAL 41 HA VAL 41 -4.764 3.589 -1.186 269 HB VAL 41 HB VAL 41 -5.385 2.020 0.695 270 HG11 VAL 41 1HG1 VAL 41 -7.832 3.140 0.748 271 HG12 VAL 41 2HG1 VAL 41 -7.064 4.134 -0.488 272 HG13 VAL 41 3HG1 VAL 41 -6.346 4.014 1.118 273 HG21 VAL 41 3HG2 VAL 41 -7.645 0.950 0.469 274 HG22 VAL 41 1HG2 VAL 41 -6.363 0.192 -0.475 275 HG23 VAL 41 2HG2 VAL 41 -7.538 1.244 -1.266 276 H ILE 42 H ILE 42 -2.716 2.970 -1.317 277 HA ILE 42 HA ILE 42 -2.044 0.303 -2.266 278 HB ILE 42 HB ILE 42 -0.875 2.414 -3.069 279 HG12 ILE 42 2HG1 ILE 42 1.251 0.630 -2.014 280 HG13 ILE 42 1HG1 ILE 42 -0.029 -0.143 -2.960 281 HG21 ILE 42 1HG2 ILE 42 -0.561 3.012 -0.460 282 HG22 ILE 42 2HG2 ILE 42 0.449 3.663 -1.748 283 HG23 ILE 42 3HG2 ILE 42 1.004 2.279 -0.808 284 HD11 ILE 42 3HD1 ILE 42 1.078 2.286 -4.163 285 HD12 ILE 42 1HD1 ILE 42 0.717 0.716 -4.883 286 HD13 ILE 42 2HD1 ILE 42 2.221 0.954 -3.991 287 H LEU 43 H LEU 43 -0.384 -1.003 -1.115 288 HA LEU 43 HA LEU 43 -0.370 -0.545 1.784 289 HB2 LEU 43 2HB LEU 43 -1.064 -3.128 0.391 290 HB3 LEU 43 1HB LEU 43 -0.695 -3.008 2.101 291 HG LEU 43 HG LEU 43 -2.991 -1.620 0.722 292 HD11 LEU 43 1HD1 LEU 43 -2.846 -4.116 2.385 293 HD12 LEU 43 2HD1 LEU 43 -3.498 -3.922 0.759 294 HD13 LEU 43 3HD1 LEU 43 -4.342 -3.213 2.136 295 HD21 LEU 43 3HD2 LEU 43 -3.724 -1.209 3.076 296 HD22 LEU 43 1HD2 LEU 43 -2.287 -0.319 2.585 297 HD23 LEU 43 2HD2 LEU 43 -2.131 -1.750 3.603 298 H PHE 44 H PHE 44 1.570 -0.661 2.629 299 HA PHE 44 HA PHE 44 3.724 -1.940 1.080 300 HB2 PHE 44 2HB PHE 44 3.580 0.616 2.014 301 HB3 PHE 44 1HB PHE 44 4.442 -0.173 3.329 302 HD1 PHE 44 1HD PHE 44 4.486 0.119 -0.383 303 HD2 PHE 44 2HD PHE 44 6.732 -0.363 3.203 304 HE1 PHE 44 1HE PHE 44 6.582 0.288 -1.669 305 HE2 PHE 44 2HE PHE 44 8.825 -0.196 1.924 306 HZ PHE 44 HZ PHE 44 8.753 0.130 -0.516 307 H CYS 45 H CYS 45 4.940 -3.571 1.961 308 HA CYS 45 HA CYS 45 3.913 -4.915 4.240 309 HB2 CYS 45 2HB CYS 45 5.214 -5.950 2.296 310 HB3 CYS 45 1HB CYS 45 6.674 -5.371 3.117 311 H ASP 46 H ASP 46 4.934 -5.324 6.275 312 HA ASP 46 HA ASP 46 6.209 -2.952 7.334 313 HB2 ASP 46 2HB ASP 46 4.764 -5.265 8.444 314 HB3 ASP 46 1HB ASP 46 6.076 -4.649 9.458 315 H MET 47 H MET 47 7.298 -5.959 6.112 316 HA MET 47 HA MET 47 9.945 -5.419 7.276 317 HB2 MET 47 2HB MET 47 8.498 -8.058 7.089 318 HB3 MET 47 1HB MET 47 10.256 -7.979 7.174 319 HG2 MET 47 2HG MET 47 9.781 -6.493 9.276 320 HG3 MET 47 1HG MET 47 8.221 -7.314 9.242 321 HE1 MET 47 3HE MET 47 10.953 -7.178 11.205 322 HE2 MET 47 1HE MET 47 11.100 -8.803 11.873 323 HE3 MET 47 2HE MET 47 9.554 -7.958 11.942 324 H CYS 48 H CYS 48 8.308 -5.107 4.637 325 HA CYS 48 HA CYS 48 10.516 -5.774 2.879 326 HB2 CYS 48 2HB CYS 48 7.692 -6.679 2.278 327 HB3 CYS 48 1HB CYS 48 9.146 -7.008 1.346 328 H ASN 49 H ASN 49 9.524 -5.177 0.483 329 HA ASN 49 HA ASN 49 8.499 -2.434 0.756 330 HB2 ASN 49 2HB ASN 49 10.180 -3.609 -1.477 331 HB3 ASN 49 1HB ASN 49 9.606 -1.938 -1.383 332 HD21 ASN 49 1HD2 ASN 49 12.219 -3.821 -0.951 333 HD22 ASN 49 2HD2 ASN 49 13.080 -2.883 0.216 334 H LEU 50 H LEU 50 7.161 -5.238 0.311 335 HA LEU 50 HA LEU 50 6.001 -5.268 -2.235 336 HB2 LEU 50 2HB LEU 50 5.966 -7.175 -0.675 337 HB3 LEU 50 1HB LEU 50 4.841 -6.299 0.361 338 HG LEU 50 HG LEU 50 3.339 -6.245 -1.780 339 HD11 LEU 50 1HD1 LEU 50 5.414 -7.400 -2.989 340 HD12 LEU 50 2HD1 LEU 50 3.744 -7.703 -3.466 341 HD13 LEU 50 3HD1 LEU 50 4.584 -8.851 -2.425 342 HD21 LEU 50 3HD2 LEU 50 3.648 -8.910 -0.439 343 HD22 LEU 50 1HD2 LEU 50 2.176 -8.108 -0.984 344 HD23 LEU 50 2HD2 LEU 50 3.040 -7.498 0.428 345 H ALA 51 H ALA 51 5.227 -3.326 -2.925 346 HA ALA 51 HA ALA 51 3.133 -2.030 -1.331 347 HB1 ALA 51 1HB ALA 51 3.764 -0.035 -2.190 348 HB2 ALA 51 2HB ALA 51 4.113 -0.706 -3.783 349 HB3 ALA 51 3HB ALA 51 5.283 -0.885 -2.475 350 H VAL 52 H VAL 52 1.167 -2.876 -1.835 351 HA VAL 52 HA VAL 52 0.324 -2.782 -4.630 352 HB VAL 52 HB VAL 52 -0.785 -5.044 -4.389 353 HG11 VAL 52 1HG1 VAL 52 1.061 -4.889 -5.848 354 HG12 VAL 52 2HG1 VAL 52 1.372 -6.295 -4.831 355 HG13 VAL 52 3HG1 VAL 52 2.207 -4.776 -4.513 356 HG21 VAL 52 3HG2 VAL 52 1.243 -5.891 -2.429 357 HG22 VAL 52 1HG2 VAL 52 -0.432 -6.403 -2.627 358 HG23 VAL 52 2HG2 VAL 52 -0.064 -4.900 -1.783 359 H HIS 53 H HIS 53 -1.823 -2.252 -4.896 360 HA HIS 53 HA HIS 53 -3.233 -1.147 -2.719 361 HB2 HIS 53 2HB HIS 53 -4.400 -2.080 -5.357 362 HB3 HIS 53 1HB HIS 53 -5.147 -0.959 -4.230 363 HD2 HIS 53 2HD HIS 53 -3.740 1.560 -4.018 364 HE1 HIS 53 1HE HIS 53 -2.044 1.081 -7.866 365 HE2 HIS 53 2HE HIS 53 -2.353 2.667 -5.911 366 H GLN 54 H GLN 54 -4.978 -1.919 -1.489 367 HA GLN 54 HA GLN 54 -4.962 -4.668 -0.874 368 HB2 GLN 54 2HB GLN 54 -6.846 -4.217 0.581 369 HB3 GLN 54 1HB GLN 54 -5.654 -2.938 0.732 370 HG2 GLN 54 2HG GLN 54 -7.205 -1.428 0.303 371 HG3 GLN 54 1HG GLN 54 -7.505 -2.167 -1.279 372 HE21 GLN 54 1HE2 GLN 54 -8.153 -3.054 2.113 373 HE22 GLN 54 2HE2 GLN 54 -9.827 -3.407 1.873 374 H GLU 55 H GLU 55 -6.592 -2.948 -3.356 375 HA GLU 55 HA GLU 55 -8.613 -5.013 -3.748 376 HB2 GLU 55 2HB GLU 55 -8.279 -2.246 -4.557 377 HB3 GLU 55 1HB GLU 55 -8.655 -3.269 -5.937 378 HG2 GLU 55 2HG GLU 55 -10.512 -4.185 -4.297 379 HG3 GLU 55 1HG GLU 55 -10.302 -2.597 -3.564 380 H CYS 56 H CYS 56 -5.570 -3.922 -4.931 381 HA CYS 56 HA CYS 56 -5.538 -5.389 -7.369 382 HB2 CYS 56 2HB CYS 56 -3.873 -3.506 -5.948 383 HB3 CYS 56 1HB CYS 56 -2.917 -4.842 -6.519 384 H TYR 57 H TYR 57 -4.449 -5.905 -4.062 385 HA TYR 57 HA TYR 57 -3.162 -8.403 -4.725 386 HB2 TYR 57 2HB TYR 57 -2.383 -6.731 -2.939 387 HB3 TYR 57 1HB TYR 57 -3.685 -7.374 -1.945 388 HD1 TYR 57 2HD TYR 57 -0.625 -8.381 -3.807 389 HD2 TYR 57 1HD TYR 57 -3.360 -9.323 -0.685 390 HE1 TYR 57 2HE TYR 57 0.852 -10.203 -3.071 391 HE2 TYR 57 1HE TYR 57 -1.888 -11.145 0.060 392 HH TYR 57 HH TYR 57 -0.049 -12.646 -1.149 393 H GLY 58 H GLY 58 -6.201 -7.307 -3.386 394 HA2 GLY 58 2HA GLY 58 -8.179 -8.616 -3.446 395 HA3 GLY 58 1HA GLY 58 -7.181 -10.074 -3.446 396 H VAL 59 H VAL 59 -6.782 -7.354 -1.244 397 HA VAL 59 HA VAL 59 -6.988 -9.115 1.029 398 HB VAL 59 HB VAL 59 -6.645 -6.112 1.029 399 HG11 VAL 59 1HG1 VAL 59 -5.907 -6.304 3.241 400 HG12 VAL 59 2HG1 VAL 59 -5.703 -8.050 3.116 401 HG13 VAL 59 3HG1 VAL 59 -7.321 -7.352 3.158 402 HG21 VAL 59 3HG2 VAL 59 -4.609 -8.314 0.800 403 HG22 VAL 59 1HG2 VAL 59 -4.199 -6.689 1.351 404 HG23 VAL 59 2HG2 VAL 59 -4.850 -6.933 -0.269 405 HA PRO 60 HA PRO 60 -11.339 -8.430 1.671 406 HB2 PRO 60 2HB PRO 60 -11.498 -9.342 4.239 407 HB3 PRO 60 1HB PRO 60 -11.394 -10.403 2.826 408 HG2 PRO 60 2HG PRO 60 -9.236 -9.540 4.714 409 HG3 PRO 60 1HG PRO 60 -9.541 -11.141 4.015 410 HD2 PRO 60 2HD PRO 60 -7.632 -9.483 3.059 411 HD3 PRO 60 1HD PRO 60 -8.532 -10.600 2.013 412 H TYR 61 H TYR 61 -9.138 -7.447 4.310 413 HA TYR 61 HA TYR 61 -10.466 -4.860 4.428 414 HB2 TYR 61 2HB TYR 61 -10.845 -4.949 6.834 415 HB3 TYR 61 1HB TYR 61 -11.700 -6.283 6.046 416 HD1 TYR 61 2HD TYR 61 -10.535 -8.568 6.041 417 HD2 TYR 61 1HD TYR 61 -9.384 -5.385 8.613 418 HE1 TYR 61 2HE TYR 61 -9.424 -10.183 7.523 419 HE2 TYR 61 1HE TYR 61 -8.264 -6.988 10.105 420 HH TYR 61 HH TYR 61 -8.790 -10.206 10.082 421 H ILE 62 H ILE 62 -9.263 -3.726 6.567 422 HA ILE 62 HA ILE 62 -6.385 -4.122 6.065 423 HB ILE 62 HB ILE 62 -7.727 -1.478 6.634 424 HG12 ILE 62 2HG1 ILE 62 -6.387 -2.179 4.045 425 HG13 ILE 62 1HG1 ILE 62 -8.053 -2.672 4.319 426 HG21 ILE 62 1HG2 ILE 62 -5.464 -0.605 5.912 427 HG22 ILE 62 2HG2 ILE 62 -4.875 -2.260 6.078 428 HG23 ILE 62 3HG2 ILE 62 -5.522 -1.408 7.480 429 HD11 ILE 62 3HD1 ILE 62 -7.190 -0.251 3.318 430 HD12 ILE 62 1HD1 ILE 62 -7.637 0.110 4.985 431 HD13 ILE 62 2HD1 ILE 62 -8.810 -0.633 3.898 432 HA PRO 63 HA PRO 63 -6.822 -5.056 10.517 433 HB2 PRO 63 2HB PRO 63 -3.987 -5.810 10.063 434 HB3 PRO 63 1HB PRO 63 -5.298 -6.735 10.819 435 HG2 PRO 63 2HG PRO 63 -4.413 -7.345 8.373 436 HG3 PRO 63 1HG PRO 63 -6.133 -7.461 8.785 437 HD2 PRO 63 2HD PRO 63 -4.694 -5.358 7.223 438 HD3 PRO 63 1HD PRO 63 -6.302 -6.062 6.953 439 H GLU 64 H GLU 64 -5.846 -4.192 12.409 440 HA GLU 64 HA GLU 64 -4.434 -1.670 11.936 441 HB2 GLU 64 2HB GLU 64 -6.277 -2.689 14.025 442 HB3 GLU 64 1HB GLU 64 -5.026 -1.575 14.562 443 HG2 GLU 64 2HG GLU 64 -5.807 0.140 13.138 444 HG3 GLU 64 1HG GLU 64 -6.861 -0.970 12.264 445 H GLY 65 H GLY 65 -3.016 -4.228 11.810 446 HA2 GLY 65 2HA GLY 65 -1.110 -3.758 14.014 447 HA3 GLY 65 1HA GLY 65 -1.547 -5.384 13.511 448 H GLN 66 H GLN 66 0.394 -6.109 12.782 449 HA GLN 66 HA GLN 66 1.905 -4.484 10.882 450 HB2 GLN 66 2HB GLN 66 2.551 -7.116 12.222 451 HB3 GLN 66 1HB GLN 66 3.611 -6.299 11.082 452 HG2 GLN 66 2HG GLN 66 3.440 -4.301 12.709 453 HG3 GLN 66 1HG GLN 66 2.860 -5.501 13.863 454 HE21 GLN 66 1HE2 GLN 66 5.526 -4.803 11.644 455 HE22 GLN 66 2HE2 GLN 66 6.746 -5.590 12.584 456 H TRP 67 H TRP 67 2.527 -5.243 8.817 457 HA TRP 67 HA TRP 67 0.780 -7.355 7.739 458 HB2 TRP 67 2HB TRP 67 0.365 -4.964 6.941 459 HB3 TRP 67 1HB TRP 67 1.920 -5.074 6.121 460 HD1 TRP 67 HD TRP 67 -0.818 -7.808 6.274 461 HE1 TRP 67 1HE TRP 67 -1.504 -8.388 3.865 462 HE3 TRP 67 3HE TRP 67 1.983 -4.338 3.770 463 HZ2 TRP 67 2HZ TRP 67 -0.941 -7.491 1.246 464 HZ3 TRP 67 3HZ TRP 67 1.851 -4.267 1.314 465 HH2 TRP 67 HH TRP 67 0.419 -5.812 0.081 466 H LEU 68 H LEU 68 1.938 -9.141 7.449 467 HA LEU 68 HA LEU 68 4.655 -8.894 6.321 468 HB2 LEU 68 2HB LEU 68 3.498 -10.965 8.185 469 HB3 LEU 68 1HB LEU 68 4.957 -11.254 7.262 470 HG LEU 68 HG LEU 68 5.218 -10.527 9.697 471 HD11 LEU 68 1HD1 LEU 68 7.038 -10.595 8.048 472 HD12 LEU 68 2HD1 LEU 68 7.228 -9.283 9.213 473 HD13 LEU 68 3HD1 LEU 68 6.655 -8.937 7.581 474 HD21 LEU 68 3HD2 LEU 68 4.826 -7.759 8.606 475 HD22 LEU 68 1HD2 LEU 68 5.012 -8.271 10.283 476 HD23 LEU 68 2HD2 LEU 68 3.525 -8.639 9.409 477 H CYS 69 H CYS 69 4.417 -9.210 4.174 478 HA CYS 69 HA CYS 69 2.419 -10.687 2.921 479 HB2 CYS 69 2HB CYS 69 3.771 -10.550 0.900 480 HB3 CYS 69 1HB CYS 69 3.843 -9.015 1.773 481 H ARG 70 H ARG 70 2.673 -12.694 1.665 482 HA ARG 70 HA ARG 70 3.224 -14.877 3.229 483 HB2 ARG 70 2HB ARG 70 3.164 -14.613 0.236 484 HB3 ARG 70 1HB ARG 70 3.327 -16.163 1.049 485 HG2 ARG 70 2HG ARG 70 1.184 -15.740 2.209 486 HG3 ARG 70 1HG ARG 70 1.013 -14.248 1.284 487 HD2 ARG 70 2HD ARG 70 0.956 -17.086 0.303 488 HD3 ARG 70 1HD ARG 70 -0.263 -15.830 0.112 489 HE ARG 70 HE ARG 70 0.969 -14.910 -1.637 490 HH11 ARG 70 1HH1 ARG 70 2.653 -17.651 -0.239 491 HH12 ARG 70 2HH1 ARG 70 3.766 -17.793 -1.555 492 HH21 ARG 70 1HH2 ARG 70 2.453 -15.105 -3.367 493 HH22 ARG 70 2HH2 ARG 70 3.654 -16.350 -3.326 494 H HIS 71 H HIS 71 5.572 -13.023 1.415 495 HA HIS 71 HA HIS 71 7.519 -15.106 1.272 496 HB2 HIS 71 2HB HIS 71 7.224 -12.640 0.081 497 HB3 HIS 71 1HB HIS 71 8.544 -12.360 1.210 498 HD1 HIS 71 1HD HIS 71 8.042 -13.307 -2.147 499 HD2 HIS 71 2HD HIS 71 10.555 -14.652 0.876 500 HE1 HIS 71 1HE HIS 71 9.918 -14.507 -3.315 501 HE2 HIS 71 2HE HIS 71 11.478 -15.220 -1.471 502 H CYS 72 H CYS 72 7.019 -12.307 3.395 503 HA CYS 72 HA CYS 72 9.308 -13.010 4.994 504 HB2 CYS 72 2HB CYS 72 8.610 -11.096 6.382 505 HB3 CYS 72 1HB CYS 72 8.836 -10.701 4.671 506 H LEU 73 H LEU 73 5.769 -13.029 5.454 507 HA LEU 73 HA LEU 73 5.781 -13.956 8.096 508 HB2 LEU 73 2HB LEU 73 3.506 -14.523 7.818 509 HB3 LEU 73 1HB LEU 73 3.785 -13.102 6.832 510 HG LEU 73 HG LEU 73 4.079 -14.810 4.887 511 HD11 LEU 73 1HD1 LEU 73 4.010 -16.925 5.683 512 HD12 LEU 73 2HD1 LEU 73 2.272 -16.689 5.504 513 HD13 LEU 73 3HD1 LEU 73 3.032 -16.485 7.082 514 HD21 LEU 73 3HD2 LEU 73 1.402 -14.950 4.927 515 HD22 LEU 73 1HD2 LEU 73 2.287 -13.477 4.533 516 HD23 LEU 73 2HD2 LEU 73 1.651 -13.714 6.160 517 H GLN 74 H GLN 74 6.436 -15.560 5.096 518 HA GLN 74 HA GLN 74 6.138 -18.230 6.178 519 HB2 GLN 74 2HB GLN 74 5.727 -17.858 3.804 520 HB3 GLN 74 1HB GLN 74 7.359 -17.239 3.595 521 HG2 GLN 74 2HG GLN 74 7.658 -19.774 4.734 522 HG3 GLN 74 1HG GLN 74 6.405 -19.944 3.505 523 HE21 GLN 74 1HE2 GLN 74 9.504 -18.236 3.876 524 HE22 GLN 74 2HE2 GLN 74 10.131 -18.691 2.333 525 H SER 75 H SER 75 8.737 -15.945 5.477 526 HA SER 75 HA SER 75 10.933 -17.621 5.992 527 HB2 SER 75 2HB SER 75 11.128 -15.396 4.916 528 HB3 SER 75 1HB SER 75 10.708 -14.628 6.447 529 HG SER 75 HG SER 75 12.957 -16.324 6.054 530 H ARG 76 H ARG 76 9.023 -15.529 8.120 531 HA ARG 76 HA ARG 76 10.553 -16.129 10.464 532 HB2 ARG 76 2HB ARG 76 9.223 -14.025 10.105 533 HB3 ARG 76 1HB ARG 76 7.763 -14.981 10.323 534 HG2 ARG 76 2HG ARG 76 9.116 -15.653 12.557 535 HG3 ARG 76 1HG ARG 76 9.706 -14.011 12.303 536 HD2 ARG 76 2HD ARG 76 7.785 -13.139 13.010 537 HD3 ARG 76 1HD ARG 76 6.858 -14.138 11.893 538 HE ARG 76 HE ARG 76 6.390 -15.581 13.610 539 HH11 ARG 76 1HH1 ARG 76 8.996 -13.462 14.609 540 HH12 ARG 76 2HH1 ARG 76 8.944 -13.976 16.262 541 HH21 ARG 76 1HH2 ARG 76 6.328 -16.252 15.790 542 HH22 ARG 76 2HH2 ARG 76 7.430 -15.561 16.933 543 H ALA 77 H ALA 77 7.850 -17.621 8.859 544 HA ALA 77 HA ALA 77 7.061 -19.170 11.184 545 HB1 ALA 77 1HB ALA 77 6.064 -19.570 8.379 546 HB2 ALA 77 2HB ALA 77 5.464 -18.279 9.418 547 HB3 ALA 77 3HB ALA 77 5.261 -19.964 9.898 548 H ARG 78 H ARG 78 9.345 -19.480 8.665 549 HA ARG 78 HA ARG 78 9.369 -22.181 8.082 550 HB2 ARG 78 2HB ARG 78 10.805 -20.417 7.028 551 HB3 ARG 78 1HB ARG 78 11.827 -20.458 8.455 552 HG2 ARG 78 2HG ARG 78 11.290 -22.947 6.878 553 HG3 ARG 78 1HG ARG 78 12.530 -21.797 6.376 554 HD2 ARG 78 2HD ARG 78 13.113 -22.077 9.014 555 HD3 ARG 78 1HD ARG 78 12.496 -23.683 8.635 556 HE ARG 78 HE ARG 78 14.370 -24.079 7.380 557 HH11 ARG 78 1HH1 ARG 78 14.171 -20.644 8.037 558 HH12 ARG 78 2HH1 ARG 78 15.770 -20.315 7.460 559 HH21 ARG 78 1HH2 ARG 78 16.477 -23.640 6.617 560 HH22 ARG 78 2HH2 ARG 78 17.079 -22.017 6.654 561 HA PRO 79 HA PRO 79 12.388 -22.689 12.005 562 HB2 PRO 79 2HB PRO 79 10.932 -20.742 13.720 563 HB3 PRO 79 1HB PRO 79 12.655 -21.130 13.670 564 HG2 PRO 79 2HG PRO 79 11.742 -18.868 12.611 565 HG3 PRO 79 1HG PRO 79 13.039 -19.784 11.822 566 HD2 PRO 79 2HD PRO 79 10.150 -19.583 11.108 567 HD3 PRO 79 1HD PRO 79 11.568 -19.697 10.049 568 H ALA 80 H ALA 80 11.905 -23.916 13.930 569 HA ALA 80 HA ALA 80 9.053 -24.599 14.236 570 HB1 ALA 80 1HB ALA 80 9.972 -26.945 14.799 571 HB2 ALA 80 2HB ALA 80 11.422 -26.410 13.948 572 HB3 ALA 80 3HB ALA 80 9.872 -26.456 13.107 Start of MODEL 5 1 H1 ALA 1 1HT ALA 1 -3.428 -2.154 9.113 2 H2 ALA 1 2HT ALA 1 -1.912 -2.307 9.904 3 H3 ALA 1 3HT ALA 1 -2.786 -3.710 9.439 4 HA ALA 1 HA ALA 1 -0.885 -3.143 8.019 5 HB1 ALA 1 2HB ALA 1 -3.675 -3.314 6.905 6 HB2 ALA 1 3HB ALA 1 -2.504 -4.613 7.134 7 HB3 ALA 1 1HB ALA 1 -2.235 -3.394 5.889 8 H ARG 2 H ARG 2 0.286 -1.459 7.407 9 HA ARG 2 HA ARG 2 -0.644 1.189 7.353 10 HB2 ARG 2 2HB ARG 2 1.843 -0.098 6.232 11 HB3 ARG 2 1HB ARG 2 1.555 1.636 6.158 12 HG2 ARG 2 2HG ARG 2 1.227 1.475 8.706 13 HG3 ARG 2 1HG ARG 2 2.024 -0.093 8.554 14 HD2 ARG 2 2HD ARG 2 3.391 2.086 7.155 15 HD3 ARG 2 1HD ARG 2 3.286 2.302 8.899 16 HE ARG 2 HE ARG 2 4.571 0.363 9.209 17 HH11 ARG 2 1HH1 ARG 2 4.114 1.087 5.808 18 HH12 ARG 2 2HH1 ARG 2 5.408 0.063 5.295 19 HH21 ARG 2 1HH2 ARG 2 6.271 -0.985 8.516 20 HH22 ARG 2 2HH2 ARG 2 6.632 -1.112 6.826 21 H THR 3 H THR 3 -1.658 2.354 5.853 22 HA THR 3 HA THR 3 -1.515 1.539 3.041 23 HB THR 3 HB THR 3 -4.162 2.375 4.173 24 HG1 THR 3 1HG THR 3 -3.724 0.651 5.464 25 HG21 THR 3 3HG2 THR 3 -4.999 0.826 2.411 26 HG22 THR 3 1HG2 THR 3 -3.334 0.655 1.853 27 HG23 THR 3 2HG2 THR 3 -4.122 2.231 1.806 28 H LYS 4 H LYS 4 -1.650 3.195 1.564 29 HA LYS 4 HA LYS 4 -1.783 5.924 2.676 30 HB2 LYS 4 2HB LYS 4 0.419 5.084 1.629 31 HB3 LYS 4 1HB LYS 4 -0.418 5.192 0.088 32 HG2 LYS 4 2HG LYS 4 0.318 7.289 0.005 33 HG3 LYS 4 1HG LYS 4 -0.910 7.649 1.222 34 HD2 LYS 4 2HD LYS 4 0.630 7.559 2.975 35 HD3 LYS 4 1HD LYS 4 1.809 6.661 2.017 36 HE2 LYS 4 2HE LYS 4 1.048 9.366 1.061 37 HE3 LYS 4 1HE LYS 4 2.037 9.276 2.517 38 HZ1 LYS 4 3HZ LYS 4 3.287 7.557 0.855 39 HZ2 LYS 4 1HZ LYS 4 3.729 9.173 1.083 40 HZ3 LYS 4 2HZ LYS 4 2.749 8.743 -0.225 41 H GLN 5 H GLN 5 -3.313 7.268 1.902 42 HA GLN 5 HA GLN 5 -4.952 6.301 -0.343 43 HB2 GLN 5 2HB GLN 5 -5.929 6.689 2.030 44 HB3 GLN 5 1HB GLN 5 -5.833 8.397 1.623 45 HG2 GLN 5 2HG GLN 5 -7.083 7.013 -0.533 46 HG3 GLN 5 1HG GLN 5 -7.861 6.544 0.979 47 HE21 GLN 5 1HE2 GLN 5 -7.577 8.920 -1.408 48 HE22 GLN 5 2HE2 GLN 5 -8.538 10.141 -0.655 49 H THR 6 H THR 6 -4.755 7.334 -2.201 50 HA THR 6 HA THR 6 -4.204 10.216 -2.197 51 HB THR 6 HB THR 6 -2.651 9.875 -4.129 52 HG1 THR 6 1HG THR 6 -3.258 7.838 -4.804 53 HG21 THR 6 3HG2 THR 6 -2.085 9.177 -1.376 54 HG22 THR 6 1HG2 THR 6 -1.147 10.135 -2.523 55 HG23 THR 6 2HG2 THR 6 -0.999 8.378 -2.514 56 H ALA 7 H ALA 7 -5.368 11.367 -3.649 57 HA ALA 7 HA ALA 7 -6.896 9.864 -5.669 58 HB1 ALA 7 1HB ALA 7 -8.792 11.356 -5.305 59 HB2 ALA 7 2HB ALA 7 -7.898 12.193 -4.037 60 HB3 ALA 7 3HB ALA 7 -8.357 10.505 -3.822 61 H ARG 8 H ARG 8 -6.891 10.635 -7.685 62 HA ARG 8 HA ARG 8 -6.460 11.908 -9.508 63 HB2 ARG 8 2HB ARG 8 -7.764 13.642 -8.249 64 HB3 ARG 8 1HB ARG 8 -6.243 14.259 -7.625 65 HG2 ARG 8 2HG ARG 8 -6.228 15.611 -9.387 66 HG3 ARG 8 1HG ARG 8 -5.816 14.186 -10.344 67 HD2 ARG 8 2HD ARG 8 -8.637 14.218 -9.930 68 HD3 ARG 8 1HD ARG 8 -8.137 15.809 -10.498 69 HE ARG 8 HE ARG 8 -7.545 14.886 -12.529 70 HH11 ARG 8 1HH1 ARG 8 -8.343 12.344 -10.256 71 HH12 ARG 8 2HH1 ARG 8 -8.380 11.105 -11.464 72 HH21 ARG 8 1HH2 ARG 8 -7.591 13.247 -14.117 73 HH22 ARG 8 2HH2 ARG 8 -7.954 11.617 -13.657 74 H LYS 9 H LYS 9 -4.599 11.506 -10.471 75 HA LYS 9 HA LYS 9 -2.078 11.758 -9.128 76 HB2 LYS 9 2HB LYS 9 -3.073 10.581 -11.598 77 HB3 LYS 9 1HB LYS 9 -1.540 11.405 -11.839 78 HG2 LYS 9 2HG LYS 9 -0.905 10.055 -9.643 79 HG3 LYS 9 1HG LYS 9 -2.168 8.985 -10.253 80 HD2 LYS 9 2HD LYS 9 -0.665 8.095 -11.633 81 HD3 LYS 9 1HD LYS 9 -0.594 9.644 -12.476 82 HE2 LYS 9 2HE LYS 9 1.050 9.070 -10.023 83 HE3 LYS 9 1HE LYS 9 1.608 8.665 -11.646 84 HZ1 LYS 9 3HZ LYS 9 1.324 11.271 -10.375 85 HZ2 LYS 9 1HZ LYS 9 0.922 11.195 -12.017 86 HZ3 LYS 9 2HZ LYS 9 2.466 10.734 -11.501 87 H SER 10 H SER 10 -0.264 12.759 -10.777 88 HA SER 10 HA SER 10 -0.394 15.506 -10.470 89 HB2 SER 10 2HB SER 10 1.284 13.741 -12.231 90 HB3 SER 10 1HB SER 10 1.434 15.497 -12.318 91 HG SER 10 HG SER 10 2.114 15.551 -10.231 92 H THR 11 H THR 11 -0.865 17.242 -11.785 93 HA THR 11 HA THR 11 -2.993 16.951 -13.603 94 HB THR 11 HB THR 11 -2.598 18.991 -12.273 95 HG1 THR 11 1HG THR 11 -3.885 19.421 -13.952 96 HG21 THR 11 3HG2 THR 11 -0.566 19.869 -12.197 97 HG22 THR 11 1HG2 THR 11 -0.879 20.508 -13.810 98 HG23 THR 11 2HG2 THR 11 -0.039 18.969 -13.620 99 H GLY 12 H GLY 12 -2.964 17.916 -15.855 100 HA2 GLY 12 2HA GLY 12 -0.600 16.887 -17.293 101 HA3 GLY 12 1HA GLY 12 -2.235 16.871 -17.933 102 H GLY 13 H GLY 13 -0.244 19.431 -16.413 103 HA2 GLY 13 2HA GLY 13 0.072 20.851 -18.875 104 HA3 GLY 13 1HA GLY 13 -1.191 21.558 -17.878 105 H SER 14 H SER 14 1.704 22.275 -18.753 106 HA SER 14 HA SER 14 3.366 23.584 -17.910 107 HB2 SER 14 2HB SER 14 1.795 23.679 -15.330 108 HB3 SER 14 1HB SER 14 2.999 24.835 -15.895 109 HG SER 14 HG SER 14 0.351 24.462 -16.727 110 H SER 15 H SER 15 5.098 23.631 -16.209 111 HA SER 15 HA SER 15 6.081 21.024 -15.766 112 HB2 SER 15 2HB SER 15 7.006 23.610 -14.486 113 HB3 SER 15 1HB SER 15 7.929 22.111 -14.592 114 HG SER 15 HG SER 15 7.917 22.343 -16.859 115 H GLY 16 H GLY 16 4.522 23.378 -13.620 116 HA2 GLY 16 2HA GLY 16 3.301 22.980 -11.695 117 HA3 GLY 16 1HA GLY 16 3.654 21.268 -11.863 118 H SER 17 H SER 17 4.073 23.847 -9.901 119 HA SER 17 HA SER 17 6.702 22.970 -8.919 120 HB2 SER 17 2HB SER 17 6.311 25.418 -9.477 121 HB3 SER 17 1HB SER 17 5.216 25.470 -8.094 122 HG SER 17 HG SER 17 6.966 24.884 -6.765 123 H SER 18 H SER 18 3.453 23.851 -7.748 124 HA SER 18 HA SER 18 2.238 23.171 -5.952 125 HB2 SER 18 2HB SER 18 4.027 20.854 -6.474 126 HB3 SER 18 1HB SER 18 3.224 20.893 -4.905 127 HG SER 18 HG SER 18 2.159 19.951 -6.974 128 H GLN 19 H GLN 19 2.640 22.289 -3.504 129 HA GLN 19 HA GLN 19 5.065 23.314 -2.334 130 HB2 GLN 19 2HB GLN 19 3.152 25.191 -2.767 131 HB3 GLN 19 1HB GLN 19 2.697 24.633 -1.163 132 HG2 GLN 19 2HG GLN 19 4.528 25.516 -0.180 133 HG3 GLN 19 1HG GLN 19 5.557 25.225 -1.581 134 HE21 GLN 19 1HE2 GLN 19 2.557 27.062 -1.079 135 HE22 GLN 19 2HE2 GLN 19 3.163 28.549 -1.714 136 H SER 20 H SER 20 5.392 22.656 -0.208 137 HA SER 20 HA SER 20 5.224 21.322 1.620 138 HB2 SER 20 2HB SER 20 2.278 21.806 1.153 139 HB3 SER 20 1HB SER 20 2.910 20.946 2.557 140 HG SER 20 HG SER 20 3.975 22.801 3.188 141 H LEU 21 H LEU 21 6.162 19.532 0.555 142 HA LEU 21 HA LEU 21 4.241 17.382 -0.040 143 HB2 LEU 21 2HB LEU 21 5.830 16.510 -1.728 144 HB3 LEU 21 1HB LEU 21 5.154 18.072 -2.146 145 HG LEU 21 HG LEU 21 7.552 18.654 -0.814 146 HD11 LEU 21 1HD1 LEU 21 7.707 16.118 -2.306 147 HD12 LEU 21 2HD1 LEU 21 8.715 16.734 -0.997 148 HD13 LEU 21 3HD1 LEU 21 8.974 17.297 -2.648 149 HD21 LEU 21 3HD2 LEU 21 7.015 20.079 -2.522 150 HD22 LEU 21 1HD2 LEU 21 6.526 18.778 -3.605 151 HD23 LEU 21 2HD2 LEU 21 8.239 19.092 -3.322 152 H ILE 22 H ILE 22 4.358 16.097 1.701 153 HA ILE 22 HA ILE 22 7.032 15.320 2.678 154 HB ILE 22 HB ILE 22 5.982 14.802 4.848 155 HG12 ILE 22 2HG1 ILE 22 3.553 16.373 4.374 156 HG13 ILE 22 1HG1 ILE 22 3.592 14.862 3.454 157 HG21 ILE 22 1HG2 ILE 22 5.245 17.356 5.230 158 HG22 ILE 22 2HG2 ILE 22 6.083 17.510 3.685 159 HG23 ILE 22 3HG2 ILE 22 6.924 16.837 5.081 160 HD11 ILE 22 3HD1 ILE 22 2.713 15.119 6.010 161 HD12 ILE 22 1HD1 ILE 22 4.374 14.584 6.259 162 HD13 ILE 22 2HD1 ILE 22 3.274 13.615 5.279 163 H ASP 23 H ASP 23 6.965 13.112 3.832 164 HA ASP 23 HA ASP 23 6.697 10.856 3.736 165 HB2 ASP 23 2HB ASP 23 4.142 11.816 3.662 166 HB3 ASP 23 1HB ASP 23 4.195 10.871 2.177 167 H GLU 24 H GLU 24 6.368 8.992 2.101 168 HA GLU 24 HA GLU 24 7.206 9.859 -0.582 169 HB2 GLU 24 2HB GLU 24 8.937 8.739 1.194 170 HB3 GLU 24 1HB GLU 24 8.335 7.305 0.374 171 HG2 GLU 24 2HG GLU 24 10.381 8.169 -0.647 172 HG3 GLU 24 1HG GLU 24 9.017 8.196 -1.765 173 H ASP 25 H ASP 25 5.612 9.308 -1.910 174 HA ASP 25 HA ASP 25 3.688 7.328 -1.420 175 HB2 ASP 25 2HB ASP 25 4.535 8.745 -3.947 176 HB3 ASP 25 1HB ASP 25 3.195 7.604 -3.907 177 H ALA 26 H ALA 26 3.625 5.200 -1.754 178 HA ALA 26 HA ALA 26 5.994 3.809 -2.612 179 HB1 ALA 26 1HB ALA 26 3.395 3.058 -1.402 180 HB2 ALA 26 2HB ALA 26 5.035 2.599 -0.945 181 HB3 ALA 26 3HB ALA 26 4.248 1.817 -2.316 182 H VAL 27 H VAL 27 5.523 1.752 -4.067 183 HA VAL 27 HA VAL 27 4.005 2.626 -6.435 184 HB VAL 27 HB VAL 27 5.738 1.572 -7.866 185 HG11 VAL 27 1HG1 VAL 27 7.548 3.363 -7.291 186 HG12 VAL 27 2HG1 VAL 27 6.348 3.922 -6.128 187 HG13 VAL 27 3HG1 VAL 27 5.950 3.868 -7.844 188 HG21 VAL 27 3HG2 VAL 27 6.921 0.967 -5.228 189 HG22 VAL 27 1HG2 VAL 27 8.043 1.494 -6.481 190 HG23 VAL 27 2HG2 VAL 27 7.021 0.082 -6.748 191 H CYS 28 H CYS 28 2.365 1.271 -6.734 192 HA CYS 28 HA CYS 28 2.130 -1.263 -5.588 193 HB2 CYS 28 2HB CYS 28 0.161 -0.065 -6.189 194 HB3 CYS 28 1HB CYS 28 0.664 0.032 -7.881 195 H SER 29 H SER 29 2.142 -3.356 -6.500 196 HA SER 29 HA SER 29 4.094 -3.674 -8.655 197 HB2 SER 29 2HB SER 29 4.541 -5.818 -7.822 198 HB3 SER 29 1HB SER 29 4.241 -4.869 -6.368 199 HG SER 29 HG SER 29 2.990 -7.057 -7.163 200 H ILE 30 H ILE 30 0.752 -4.524 -7.837 201 HA ILE 30 HA ILE 30 0.305 -6.208 -10.074 202 HB ILE 30 HB ILE 30 -1.553 -4.722 -8.229 203 HG12 ILE 30 2HG1 ILE 30 -2.204 -7.330 -8.026 204 HG13 ILE 30 1HG1 ILE 30 -0.514 -7.490 -8.522 205 HG21 ILE 30 1HG2 ILE 30 -2.324 -6.416 -10.604 206 HG22 ILE 30 2HG2 ILE 30 -2.691 -4.708 -10.349 207 HG23 ILE 30 3HG2 ILE 30 -3.431 -5.936 -9.317 208 HD11 ILE 30 3HD1 ILE 30 -0.700 -5.532 -6.455 209 HD12 ILE 30 1HD1 ILE 30 0.147 -7.078 -6.455 210 HD13 ILE 30 2HD1 ILE 30 -1.540 -6.997 -5.950 211 H CYS 31 H CYS 31 0.313 -2.754 -9.657 212 HA CYS 31 HA CYS 31 -0.181 -2.420 -12.503 213 HB2 CYS 31 2HB CYS 31 -2.029 -1.011 -12.307 214 HB3 CYS 31 1HB CYS 31 -2.350 -2.243 -11.080 215 H MET 32 H MET 32 0.786 -0.616 -13.393 216 HA MET 32 HA MET 32 2.572 0.873 -11.589 217 HB2 MET 32 2HB MET 32 2.777 0.091 -14.485 218 HB3 MET 32 1HB MET 32 3.705 1.449 -13.867 219 HG2 MET 32 2HG MET 32 4.975 0.096 -12.456 220 HG3 MET 32 1HG MET 32 3.834 -1.245 -12.564 221 HE1 MET 32 3HE MET 32 5.737 -3.033 -13.092 222 HE2 MET 32 1HE MET 32 6.907 -1.736 -12.842 223 HE3 MET 32 2HE MET 32 7.013 -2.757 -14.278 224 H ASP 33 H ASP 33 0.039 1.766 -11.499 225 HA ASP 33 HA ASP 33 -1.301 3.586 -11.737 226 HB2 ASP 33 2HB ASP 33 1.429 4.682 -12.274 227 HB3 ASP 33 1HB ASP 33 0.025 5.719 -12.564 228 H GLY 34 H GLY 34 -1.243 1.769 -13.922 229 HA2 GLY 34 2HA GLY 34 -1.264 3.388 -16.345 230 HA3 GLY 34 1HA GLY 34 -1.524 1.643 -16.245 231 H GLU 35 H GLU 35 -3.554 1.981 -14.101 232 HA GLU 35 HA GLU 35 -5.844 2.168 -15.769 233 HB2 GLU 35 2HB GLU 35 -7.130 1.818 -13.725 234 HB3 GLU 35 1HB GLU 35 -5.764 0.711 -13.792 235 HG2 GLU 35 2HG GLU 35 -4.701 2.811 -12.426 236 HG3 GLU 35 1HG GLU 35 -6.376 2.844 -11.883 237 H SER 36 H SER 36 -7.796 3.537 -14.887 238 HA SER 36 HA SER 36 -6.876 6.279 -14.347 239 HB2 SER 36 2HB SER 36 -8.542 5.266 -16.593 240 HB3 SER 36 1HB SER 36 -9.027 6.800 -15.870 241 HG SER 36 HG SER 36 -7.580 7.437 -17.324 242 H GLN 37 H GLN 37 -7.461 6.057 -12.170 243 HA GLN 37 HA GLN 37 -10.368 5.948 -11.679 244 HB2 GLN 37 2HB GLN 37 -8.521 4.164 -10.717 245 HB3 GLN 37 1HB GLN 37 -8.617 5.329 -9.393 246 HG2 GLN 37 2HG GLN 37 -10.911 4.926 -9.073 247 HG3 GLN 37 1HG GLN 37 -11.061 4.079 -10.612 248 HE21 GLN 37 1HE2 GLN 37 -9.661 3.897 -7.387 249 HE22 GLN 37 2HE2 GLN 37 -9.579 2.173 -7.320 250 H ASN 38 H ASN 38 -10.844 6.980 -9.408 251 HA ASN 38 HA ASN 38 -9.728 9.669 -9.512 252 HB2 ASN 38 2HB ASN 38 -12.241 8.472 -8.587 253 HB3 ASN 38 1HB ASN 38 -11.608 9.707 -7.503 254 HD21 ASN 38 1HD2 ASN 38 -13.208 9.079 -10.439 255 HD22 ASN 38 2HD2 ASN 38 -13.328 10.711 -10.992 256 H SER 39 H SER 39 -10.063 6.984 -7.208 257 HA SER 39 HA SER 39 -7.795 8.057 -5.704 258 HB2 SER 39 2HB SER 39 -9.958 8.834 -4.625 259 HB3 SER 39 1HB SER 39 -10.295 7.133 -4.276 260 HG SER 39 HG SER 39 -7.917 8.458 -3.470 261 H ASN 40 H ASN 40 -6.891 6.459 -4.160 262 HA ASN 40 HA ASN 40 -7.645 3.693 -4.450 263 HB2 ASN 40 2HB ASN 40 -5.343 3.030 -5.291 264 HB3 ASN 40 1HB ASN 40 -6.391 3.804 -6.473 265 HD21 ASN 40 1HD2 ASN 40 -3.726 4.384 -4.235 266 HD22 ASN 40 2HD2 ASN 40 -3.037 5.700 -5.118 267 H VAL 41 H VAL 41 -6.142 2.242 -3.193 268 HA VAL 41 HA VAL 41 -4.783 3.691 -1.022 269 HB VAL 41 HB VAL 41 -5.612 1.884 0.550 270 HG11 VAL 41 1HG1 VAL 41 -6.672 3.784 1.113 271 HG12 VAL 41 2HG1 VAL 41 -8.071 2.998 0.382 272 HG13 VAL 41 3HG1 VAL 41 -7.121 4.152 -0.552 273 HG21 VAL 41 3HG2 VAL 41 -7.874 0.934 -0.176 274 HG22 VAL 41 1HG2 VAL 41 -6.421 0.192 -0.847 275 HG23 VAL 41 2HG2 VAL 41 -7.365 1.320 -1.821 276 H ILE 42 H ILE 42 -2.697 3.195 -1.312 277 HA ILE 42 HA ILE 42 -1.908 0.552 -2.231 278 HB ILE 42 HB ILE 42 -0.808 2.672 -3.050 279 HG12 ILE 42 2HG1 ILE 42 1.578 1.416 -2.180 280 HG13 ILE 42 1HG1 ILE 42 0.360 0.143 -2.340 281 HG21 ILE 42 1HG2 ILE 42 -0.605 3.345 -0.433 282 HG22 ILE 42 2HG2 ILE 42 0.353 4.059 -1.729 283 HG23 ILE 42 3HG2 ILE 42 1.022 2.746 -0.760 284 HD11 ILE 42 3HD1 ILE 42 1.087 0.132 -4.466 285 HD12 ILE 42 1HD1 ILE 42 1.665 1.795 -4.396 286 HD13 ILE 42 2HD1 ILE 42 -0.050 1.468 -4.638 287 H LEU 43 H LEU 43 -0.752 -0.954 -1.040 288 HA LEU 43 HA LEU 43 -0.661 -0.454 1.861 289 HB2 LEU 43 2HB LEU 43 -1.041 -3.045 0.364 290 HB3 LEU 43 1HB LEU 43 -0.843 -2.923 2.102 291 HG LEU 43 HG LEU 43 -3.074 -1.513 0.668 292 HD11 LEU 43 1HD1 LEU 43 -3.696 -3.616 0.078 293 HD12 LEU 43 2HD1 LEU 43 -4.359 -3.575 1.711 294 HD13 LEU 43 3HD1 LEU 43 -2.814 -4.370 1.407 295 HD21 LEU 43 3HD2 LEU 43 -2.332 -0.956 3.053 296 HD22 LEU 43 1HD2 LEU 43 -3.005 -2.528 3.487 297 HD23 LEU 43 2HD2 LEU 43 -4.042 -1.290 2.778 298 H PHE 44 H PHE 44 1.198 -0.697 2.921 299 HA PHE 44 HA PHE 44 3.514 -1.736 1.418 300 HB2 PHE 44 2HB PHE 44 3.169 0.792 2.498 301 HB3 PHE 44 1HB PHE 44 4.126 -0.034 3.720 302 HD1 PHE 44 1HD PHE 44 4.116 -0.110 -0.010 303 HD2 PHE 44 2HD PHE 44 6.325 0.581 3.562 304 HE1 PHE 44 1HE PHE 44 6.148 0.293 -1.344 305 HE2 PHE 44 2HE PHE 44 8.356 0.983 2.236 306 HZ PHE 44 HZ PHE 44 8.269 0.839 -0.221 307 H CYS 45 H CYS 45 4.690 -3.382 2.330 308 HA CYS 45 HA CYS 45 3.561 -4.804 4.489 309 HB2 CYS 45 2HB CYS 45 5.069 -5.726 2.649 310 HB3 CYS 45 1HB CYS 45 6.426 -5.113 3.609 311 H ASP 46 H ASP 46 4.428 -5.270 6.573 312 HA ASP 46 HA ASP 46 5.520 -2.902 7.839 313 HB2 ASP 46 2HB ASP 46 3.686 -4.841 8.619 314 HB3 ASP 46 1HB ASP 46 5.113 -5.179 9.607 315 H MET 47 H MET 47 6.743 -5.884 6.652 316 HA MET 47 HA MET 47 9.275 -5.358 8.057 317 HB2 MET 47 2HB MET 47 7.945 -8.038 7.598 318 HB3 MET 47 1HB MET 47 9.646 -7.864 8.031 319 HG2 MET 47 2HG MET 47 7.668 -6.504 9.761 320 HG3 MET 47 1HG MET 47 7.727 -8.264 9.827 321 HE1 MET 47 3HE MET 47 9.553 -6.933 13.018 322 HE2 MET 47 1HE MET 47 8.879 -8.491 12.538 323 HE3 MET 47 2HE MET 47 7.967 -7.010 12.251 324 H CYS 48 H CYS 48 7.890 -4.972 5.297 325 HA CYS 48 HA CYS 48 10.243 -5.603 3.723 326 HB2 CYS 48 2HB CYS 48 7.482 -6.479 2.852 327 HB3 CYS 48 1HB CYS 48 9.008 -6.779 2.034 328 H ASN 49 H ASN 49 9.393 -4.970 1.255 329 HA ASN 49 HA ASN 49 8.412 -2.208 1.497 330 HB2 ASN 49 2HB ASN 49 10.367 -3.472 -0.426 331 HB3 ASN 49 1HB ASN 49 9.598 -1.912 -0.759 332 HD21 ASN 49 1HD2 ASN 49 9.722 -0.397 1.252 333 HD22 ASN 49 2HD2 ASN 49 11.292 -0.267 1.960 334 H LEU 50 H LEU 50 7.268 -5.146 0.748 335 HA LEU 50 HA LEU 50 6.180 -5.099 -1.773 336 HB2 LEU 50 2HB LEU 50 6.035 -6.869 0.135 337 HB3 LEU 50 1HB LEU 50 4.538 -6.039 0.554 338 HG LEU 50 HG LEU 50 4.071 -7.981 -0.820 339 HD11 LEU 50 1HD1 LEU 50 2.759 -5.834 -1.085 340 HD12 LEU 50 2HD1 LEU 50 2.641 -6.997 -2.405 341 HD13 LEU 50 3HD1 LEU 50 3.673 -5.576 -2.572 342 HD21 LEU 50 3HD2 LEU 50 4.970 -8.382 -2.939 343 HD22 LEU 50 1HD2 LEU 50 6.350 -7.875 -1.968 344 HD23 LEU 50 2HD2 LEU 50 5.594 -6.739 -3.086 345 H ALA 51 H ALA 51 5.186 -3.453 -2.703 346 HA ALA 51 HA ALA 51 3.152 -1.994 -1.161 347 HB1 ALA 51 1HB ALA 51 4.004 -0.070 -1.881 348 HB2 ALA 51 2HB ALA 51 4.004 -0.619 -3.556 349 HB3 ALA 51 3HB ALA 51 5.371 -0.991 -2.504 350 H VAL 52 H VAL 52 1.185 -2.792 -1.692 351 HA VAL 52 HA VAL 52 0.432 -2.789 -4.516 352 HB VAL 52 HB VAL 52 -0.717 -4.998 -4.300 353 HG11 VAL 52 1HG1 VAL 52 2.284 -4.920 -4.061 354 HG12 VAL 52 2HG1 VAL 52 1.316 -4.922 -5.535 355 HG13 VAL 52 3HG1 VAL 52 1.371 -6.359 -4.516 356 HG21 VAL 52 3HG2 VAL 52 -0.029 -6.538 -2.549 357 HG22 VAL 52 1HG2 VAL 52 -0.788 -5.108 -1.852 358 HG23 VAL 52 2HG2 VAL 52 0.966 -5.281 -1.813 359 H HIS 53 H HIS 53 -1.630 -2.065 -4.840 360 HA HIS 53 HA HIS 53 -3.093 -0.965 -2.692 361 HB2 HIS 53 2HB HIS 53 -4.183 -1.722 -5.415 362 HB3 HIS 53 1HB HIS 53 -4.907 -0.595 -4.282 363 HD2 HIS 53 2HD HIS 53 -3.344 1.819 -3.920 364 HE1 HIS 53 1HE HIS 53 -1.557 1.367 -7.729 365 HE2 HIS 53 2HE HIS 53 -2.140 3.008 -5.884 366 H GLN 54 H GLN 54 -4.906 -1.694 -1.559 367 HA GLN 54 HA GLN 54 -5.116 -4.478 -1.130 368 HB2 GLN 54 2HB GLN 54 -6.956 -3.979 0.347 369 HB3 GLN 54 1HB GLN 54 -5.700 -2.772 0.571 370 HG2 GLN 54 2HG GLN 54 -7.302 -1.256 0.374 371 HG3 GLN 54 1HG GLN 54 -7.324 -1.646 -1.353 372 HE21 GLN 54 1HE2 GLN 54 -8.538 -3.176 1.626 373 HE22 GLN 54 2HE2 GLN 54 -10.145 -3.423 1.042 374 H GLU 55 H GLU 55 -6.509 -2.458 -3.510 375 HA GLU 55 HA GLU 55 -8.725 -4.262 -4.088 376 HB2 GLU 55 2HB GLU 55 -9.312 -2.644 -5.835 377 HB3 GLU 55 1HB GLU 55 -9.122 -1.848 -4.280 378 HG2 GLU 55 2HG GLU 55 -6.819 -1.191 -4.979 379 HG3 GLU 55 1HG GLU 55 -7.174 -1.844 -6.576 380 H CYS 56 H CYS 56 -5.534 -3.482 -5.093 381 HA CYS 56 HA CYS 56 -5.600 -4.771 -7.638 382 HB2 CYS 56 2HB CYS 56 -3.794 -3.150 -6.081 383 HB3 CYS 56 1HB CYS 56 -2.957 -4.547 -6.698 384 H TYR 57 H TYR 57 -4.541 -5.578 -4.367 385 HA TYR 57 HA TYR 57 -3.568 -8.166 -5.185 386 HB2 TYR 57 2HB TYR 57 -2.627 -6.651 -3.302 387 HB3 TYR 57 1HB TYR 57 -3.934 -7.320 -2.329 388 HD1 TYR 57 2HD TYR 57 -0.982 -8.280 -4.372 389 HD2 TYR 57 1HD TYR 57 -3.697 -9.415 -1.299 390 HE1 TYR 57 2HE TYR 57 0.406 -10.249 -3.883 391 HE2 TYR 57 1HE TYR 57 -2.316 -11.390 -0.801 392 HH TYR 57 HH TYR 57 -0.480 -12.815 -2.455 393 H GLY 58 H GLY 58 -6.457 -6.817 -3.764 394 HA2 GLY 58 2HA GLY 58 -8.563 -7.859 -3.766 395 HA3 GLY 58 1HA GLY 58 -7.767 -9.415 -4.018 396 H VAL 59 H VAL 59 -6.919 -7.073 -1.527 397 HA VAL 59 HA VAL 59 -6.983 -9.017 0.529 398 HB VAL 59 HB VAL 59 -6.985 -6.010 0.843 399 HG11 VAL 59 1HG1 VAL 59 -5.829 -8.045 2.727 400 HG12 VAL 59 2HG1 VAL 59 -7.491 -7.474 2.859 401 HG13 VAL 59 3HG1 VAL 59 -6.155 -6.337 3.019 402 HG21 VAL 59 3HG2 VAL 59 -4.797 -5.921 0.332 403 HG22 VAL 59 1HG2 VAL 59 -5.108 -7.431 -0.520 404 HG23 VAL 59 2HG2 VAL 59 -4.448 -7.461 1.114 405 HA PRO 60 HA PRO 60 -11.324 -9.081 1.464 406 HB2 PRO 60 2HB PRO 60 -11.129 -9.923 4.079 407 HB3 PRO 60 1HB PRO 60 -11.037 -10.994 2.671 408 HG2 PRO 60 2HG PRO 60 -8.824 -9.824 4.312 409 HG3 PRO 60 1HG PRO 60 -8.986 -11.461 3.652 410 HD2 PRO 60 2HD PRO 60 -7.409 -9.629 2.490 411 HD3 PRO 60 1HD PRO 60 -8.327 -10.805 1.527 412 H TYR 61 H TYR 61 -9.190 -7.728 3.991 413 HA TYR 61 HA TYR 61 -10.777 -5.317 4.078 414 HB2 TYR 61 2HB TYR 61 -11.291 -5.422 6.456 415 HB3 TYR 61 1HB TYR 61 -11.985 -6.827 5.635 416 HD1 TYR 61 1HD TYR 61 -10.249 -8.902 5.563 417 HD2 TYR 61 2HD TYR 61 -10.309 -5.833 8.500 418 HE1 TYR 61 1HE TYR 61 -9.112 -10.405 7.142 419 HE2 TYR 61 2HE TYR 61 -9.169 -7.324 10.091 420 HH TYR 61 HH TYR 61 -7.542 -9.971 9.287 421 H ILE 62 H ILE 62 -9.811 -3.900 6.015 422 HA ILE 62 HA ILE 62 -6.878 -4.145 5.816 423 HB ILE 62 HB ILE 62 -8.456 -1.585 6.099 424 HG12 ILE 62 2HG1 ILE 62 -6.905 -2.489 3.676 425 HG13 ILE 62 1HG1 ILE 62 -8.617 -2.847 3.870 426 HG21 ILE 62 1HG2 ILE 62 -5.554 -2.238 6.071 427 HG22 ILE 62 2HG2 ILE 62 -6.434 -1.035 7.012 428 HG23 ILE 62 3HG2 ILE 62 -6.085 -0.739 5.309 429 HD11 ILE 62 3HD1 ILE 62 -7.525 -0.054 3.984 430 HD12 ILE 62 1HD1 ILE 62 -9.201 -0.570 3.782 431 HD13 ILE 62 2HD1 ILE 62 -8.036 -0.827 2.483 432 HA PRO 63 HA PRO 63 -7.683 -4.739 10.293 433 HB2 PRO 63 2HB PRO 63 -4.881 -5.674 10.147 434 HB3 PRO 63 1HB PRO 63 -6.307 -6.483 10.819 435 HG2 PRO 63 2HG PRO 63 -5.198 -7.283 8.515 436 HG3 PRO 63 1HG PRO 63 -6.953 -7.327 8.765 437 HD2 PRO 63 2HD PRO 63 -5.304 -5.361 7.229 438 HD3 PRO 63 1HD PRO 63 -6.892 -6.051 6.837 439 H GLU 64 H GLU 64 -6.280 -4.106 12.221 440 HA GLU 64 HA GLU 64 -4.868 -1.590 11.614 441 HB2 GLU 64 2HB GLU 64 -6.712 -2.357 13.854 442 HB3 GLU 64 1HB GLU 64 -5.537 -1.067 14.072 443 HG2 GLU 64 2HG GLU 64 -6.824 -0.549 11.634 444 HG3 GLU 64 1HG GLU 64 -8.086 -1.003 12.778 445 H GLY 65 H GLY 65 -3.640 -4.238 11.736 446 HA2 GLY 65 2HA GLY 65 -1.854 -3.808 14.054 447 HA3 GLY 65 1HA GLY 65 -2.306 -5.411 13.492 448 H GLN 66 H GLN 66 -0.618 -6.356 12.557 449 HA GLN 66 HA GLN 66 1.203 -4.707 10.939 450 HB2 GLN 66 2HB GLN 66 1.657 -7.449 12.130 451 HB3 GLN 66 1HB GLN 66 2.839 -6.511 11.227 452 HG2 GLN 66 2HG GLN 66 2.718 -4.765 12.984 453 HG3 GLN 66 1HG GLN 66 1.648 -5.821 13.905 454 HE21 GLN 66 1HE2 GLN 66 4.725 -6.147 12.144 455 HE22 GLN 66 2HE2 GLN 66 5.547 -6.995 13.403 456 H TRP 67 H TRP 67 1.827 -5.359 8.869 457 HA TRP 67 HA TRP 67 0.122 -7.422 7.637 458 HB2 TRP 67 2HB TRP 67 -0.375 -5.059 6.931 459 HB3 TRP 67 1HB TRP 67 1.247 -4.979 6.251 460 HD1 TRP 67 HD TRP 67 -1.383 -7.816 5.918 461 HE1 TRP 67 1HE TRP 67 -1.771 -8.246 3.411 462 HE3 TRP 67 3HE TRP 67 1.619 -4.154 3.986 463 HZ2 TRP 67 2HZ TRP 67 -0.920 -7.177 0.941 464 HZ3 TRP 67 3HZ TRP 67 1.777 -3.927 1.541 465 HH2 TRP 67 HH TRP 67 0.533 -5.407 0.053 466 H LEU 68 H LEU 68 1.288 -9.174 7.203 467 HA LEU 68 HA LEU 68 4.066 -8.838 6.268 468 HB2 LEU 68 2HB LEU 68 2.740 -11.087 7.773 469 HB3 LEU 68 1HB LEU 68 4.264 -11.301 6.939 470 HG LEU 68 HG LEU 68 4.343 -10.855 9.453 471 HD11 LEU 68 1HD1 LEU 68 6.277 -10.748 7.916 472 HD12 LEU 68 2HD1 LEU 68 6.399 -9.622 9.270 473 HD13 LEU 68 3HD1 LEU 68 5.946 -9.031 7.670 474 HD21 LEU 68 3HD2 LEU 68 2.687 -8.926 9.262 475 HD22 LEU 68 1HD2 LEU 68 4.041 -7.978 8.647 476 HD23 LEU 68 2HD2 LEU 68 4.109 -8.667 10.268 477 H CYS 69 H CYS 69 4.056 -8.921 4.093 478 HA CYS 69 HA CYS 69 2.136 -10.146 2.489 479 HB2 CYS 69 2HB CYS 69 3.696 -9.851 0.631 480 HB3 CYS 69 1HB CYS 69 3.678 -8.415 1.661 481 H ARG 70 H ARG 70 2.598 -11.936 0.905 482 HA ARG 70 HA ARG 70 2.887 -14.349 2.232 483 HB2 ARG 70 2HB ARG 70 3.284 -13.828 -0.710 484 HB3 ARG 70 1HB ARG 70 2.961 -15.393 0.024 485 HG2 ARG 70 2HG ARG 70 0.827 -14.220 0.943 486 HG3 ARG 70 1HG ARG 70 1.130 -13.066 -0.357 487 HD2 ARG 70 2HD ARG 70 -0.375 -14.709 -1.196 488 HD3 ARG 70 1HD ARG 70 1.193 -14.999 -1.945 489 HE ARG 70 HE ARG 70 -0.122 -16.661 0.070 490 HH11 ARG 70 1HH1 ARG 70 2.645 -16.127 -2.019 491 HH12 ARG 70 2HH1 ARG 70 3.226 -17.749 -1.864 492 HH21 ARG 70 1HH2 ARG 70 0.659 -18.794 0.269 493 HH22 ARG 70 2HH2 ARG 70 2.102 -19.260 -0.568 494 H HIS 71 H HIS 71 5.429 -12.310 1.023 495 HA HIS 71 HA HIS 71 7.353 -14.405 0.696 496 HB2 HIS 71 2HB HIS 71 7.229 -11.829 -0.157 497 HB3 HIS 71 1HB HIS 71 8.325 -11.663 1.210 498 HD1 HIS 71 1HD HIS 71 8.191 -14.543 -1.261 499 HD2 HIS 71 2HD HIS 71 10.718 -11.464 -0.073 500 HE1 HIS 71 1HE HIS 71 10.344 -14.922 -2.502 501 HE2 HIS 71 2HE HIS 71 11.883 -13.092 -1.707 502 H CYS 72 H CYS 72 6.637 -12.008 3.198 503 HA CYS 72 HA CYS 72 8.737 -13.008 4.898 504 HB2 CYS 72 2HB CYS 72 7.823 -11.359 6.522 505 HB3 CYS 72 1HB CYS 72 8.328 -10.682 4.966 506 H LEU 73 H LEU 73 5.166 -13.024 4.968 507 HA LEU 73 HA LEU 73 4.900 -14.420 7.382 508 HB2 LEU 73 2HB LEU 73 2.657 -14.808 6.811 509 HB3 LEU 73 1HB LEU 73 3.063 -13.278 6.065 510 HG LEU 73 HG LEU 73 3.511 -14.742 3.941 511 HD11 LEU 73 1HD1 LEU 73 3.257 -16.931 4.458 512 HD12 LEU 73 2HD1 LEU 73 1.566 -16.568 4.115 513 HD13 LEU 73 3HD1 LEU 73 2.139 -16.603 5.782 514 HD21 LEU 73 3HD2 LEU 73 1.839 -13.112 3.844 515 HD22 LEU 73 1HD2 LEU 73 0.858 -13.914 5.069 516 HD23 LEU 73 2HD2 LEU 73 0.998 -14.612 3.456 517 H GLN 74 H GLN 74 5.834 -15.465 4.216 518 HA GLN 74 HA GLN 74 5.415 -18.281 4.781 519 HB2 GLN 74 2HB GLN 74 5.168 -17.447 2.488 520 HB3 GLN 74 1HB GLN 74 6.842 -16.911 2.495 521 HG2 GLN 74 2HG GLN 74 7.585 -19.228 2.717 522 HG3 GLN 74 1HG GLN 74 5.904 -19.763 2.710 523 HE21 GLN 74 1HE2 GLN 74 5.240 -20.503 0.833 524 HE22 GLN 74 2HE2 GLN 74 5.793 -19.993 -0.722 525 H SER 75 H SER 75 8.024 -15.933 4.810 526 HA SER 75 HA SER 75 10.235 -17.622 4.998 527 HB2 SER 75 2HB SER 75 9.648 -14.812 5.795 528 HB3 SER 75 1HB SER 75 11.065 -15.571 6.522 529 HG SER 75 HG SER 75 11.393 -14.442 4.462 530 H ARG 76 H ARG 76 7.927 -16.584 7.454 531 HA ARG 76 HA ARG 76 9.412 -18.028 9.523 532 HB2 ARG 76 2HB ARG 76 7.899 -16.997 11.119 533 HB3 ARG 76 1HB ARG 76 8.606 -15.776 10.073 534 HG2 ARG 76 2HG ARG 76 6.422 -16.053 8.695 535 HG3 ARG 76 1HG ARG 76 5.797 -16.784 10.176 536 HD2 ARG 76 2HD ARG 76 6.245 -14.797 11.428 537 HD3 ARG 76 1HD ARG 76 7.118 -14.079 10.075 538 HE ARG 76 HE ARG 76 5.119 -13.439 9.168 539 HH11 ARG 76 1HH1 ARG 76 4.510 -15.808 11.673 540 HH12 ARG 76 2HH1 ARG 76 2.791 -15.616 11.609 541 HH21 ARG 76 1HH2 ARG 76 2.856 -13.187 9.086 542 HH22 ARG 76 2HH2 ARG 76 1.851 -14.128 10.137 543 H ALA 77 H ALA 77 6.469 -18.227 7.636 544 HA ALA 77 HA ALA 77 5.193 -20.221 9.222 545 HB1 ALA 77 1HB ALA 77 4.758 -19.323 6.382 546 HB2 ALA 77 2HB ALA 77 3.817 -18.897 7.810 547 HB3 ALA 77 3HB ALA 77 3.763 -20.542 7.179 548 H ARG 78 H ARG 78 7.514 -20.309 6.595 549 HA ARG 78 HA ARG 78 7.213 -23.015 5.865 550 HB2 ARG 78 2HB ARG 78 8.397 -21.465 4.426 551 HB3 ARG 78 1HB ARG 78 9.614 -21.186 5.661 552 HG2 ARG 78 2HG ARG 78 9.306 -23.994 4.900 553 HG3 ARG 78 1HG ARG 78 9.842 -22.938 3.593 554 HD2 ARG 78 2HD ARG 78 11.125 -23.018 6.319 555 HD3 ARG 78 1HD ARG 78 11.679 -23.978 4.949 556 HE ARG 78 HE ARG 78 11.506 -21.166 4.381 557 HH11 ARG 78 1HH1 ARG 78 13.540 -23.686 5.713 558 HH12 ARG 78 2HH1 ARG 78 15.012 -22.826 5.415 559 HH21 ARG 78 1HH2 ARG 78 13.456 -20.034 3.997 560 HH22 ARG 78 2HH2 ARG 78 14.966 -20.757 4.446 561 HA PRO 79 HA PRO 79 10.845 -24.016 8.906 562 HB2 PRO 79 2HB PRO 79 11.449 -22.147 10.795 563 HB3 PRO 79 1HB PRO 79 12.257 -22.242 9.227 564 HG2 PRO 79 2HG PRO 79 10.041 -20.439 10.112 565 HG3 PRO 79 1HG PRO 79 11.472 -20.059 9.137 566 HD2 PRO 79 2HD PRO 79 9.032 -20.448 8.040 567 HD3 PRO 79 1HD PRO 79 10.532 -20.892 7.204 568 H ALA 80 H ALA 80 8.447 -21.817 10.386 569 HA ALA 80 HA ALA 80 7.938 -23.852 12.451 570 HB1 ALA 80 1HB ALA 80 8.527 -21.293 12.891 571 HB2 ALA 80 2HB ALA 80 7.440 -22.205 13.938 572 HB3 ALA 80 3HB ALA 80 6.780 -21.134 12.702 Start of MODEL 6 1 H1 ALA 1 1HT ALA 1 -2.827 -2.193 8.757 2 H2 ALA 1 2HT ALA 1 -1.430 -1.680 9.612 3 H3 ALA 1 3HT ALA 1 -1.692 -3.350 9.318 4 HA ALA 1 HA ALA 1 -0.058 -2.592 7.847 5 HB1 ALA 1 2HB ALA 1 -1.002 -3.287 5.788 6 HB2 ALA 1 3HB ALA 1 -2.618 -2.781 6.277 7 HB3 ALA 1 1HB ALA 1 -1.856 -4.169 7.054 8 H ARG 2 H ARG 2 0.934 -0.896 6.944 9 HA ARG 2 HA ARG 2 -0.179 1.697 7.061 10 HB2 ARG 2 2HB ARG 2 2.343 0.503 6.058 11 HB3 ARG 2 1HB ARG 2 1.894 2.054 5.366 12 HG2 ARG 2 2HG ARG 2 3.080 2.825 7.121 13 HG3 ARG 2 1HG ARG 2 1.530 2.642 7.942 14 HD2 ARG 2 2HD ARG 2 3.642 1.696 9.073 15 HD3 ARG 2 1HD ARG 2 2.192 0.697 9.028 16 HE ARG 2 HE ARG 2 3.342 -0.821 7.775 17 HH11 ARG 2 1HH1 ARG 2 5.007 2.253 7.544 18 HH12 ARG 2 2HH1 ARG 2 6.321 1.610 6.620 19 HH21 ARG 2 1HH2 ARG 2 5.065 -1.656 6.553 20 HH22 ARG 2 2HH2 ARG 2 6.358 -0.615 6.059 21 H THR 3 H THR 3 -1.836 2.321 5.843 22 HA THR 3 HA THR 3 -1.873 1.547 3.001 23 HB THR 3 HB THR 3 -4.294 2.648 4.372 24 HG1 THR 3 1HG THR 3 -3.166 0.123 4.849 25 HG21 THR 3 3HG2 THR 3 -5.332 1.967 2.557 26 HG22 THR 3 1HG2 THR 3 -4.775 0.314 2.824 27 HG23 THR 3 2HG2 THR 3 -3.789 1.435 1.887 28 H LYS 4 H LYS 4 -1.609 3.101 1.519 29 HA LYS 4 HA LYS 4 -1.796 5.906 2.400 30 HB2 LYS 4 2HB LYS 4 0.417 4.859 1.478 31 HB3 LYS 4 1HB LYS 4 -0.357 5.047 -0.089 32 HG2 LYS 4 2HG LYS 4 1.002 6.948 0.248 33 HG3 LYS 4 1HG LYS 4 -0.669 7.472 0.457 34 HD2 LYS 4 2HD LYS 4 -0.386 7.294 2.903 35 HD3 LYS 4 1HD LYS 4 1.303 6.844 2.656 36 HE2 LYS 4 2HE LYS 4 0.133 9.402 1.591 37 HE3 LYS 4 1HE LYS 4 0.835 9.283 3.204 38 HZ1 LYS 4 3HZ LYS 4 2.470 8.280 1.014 39 HZ2 LYS 4 1HZ LYS 4 2.918 9.167 2.384 40 HZ3 LYS 4 2HZ LYS 4 2.236 9.954 1.053 41 H GLN 5 H GLN 5 -3.331 7.162 1.538 42 HA GLN 5 HA GLN 5 -4.833 6.113 -0.766 43 HB2 GLN 5 2HB GLN 5 -6.092 6.402 1.353 44 HB3 GLN 5 1HB GLN 5 -5.719 8.119 1.318 45 HG2 GLN 5 2HG GLN 5 -6.842 7.679 -1.153 46 HG3 GLN 5 1HG GLN 5 -7.768 6.616 -0.097 47 HE21 GLN 5 1HE2 GLN 5 -8.554 9.075 -1.503 48 HE22 GLN 5 2HE2 GLN 5 -9.146 10.144 -0.282 49 H THR 6 H THR 6 -5.081 7.278 -2.582 50 HA THR 6 HA THR 6 -4.249 10.081 -2.639 51 HB THR 6 HB THR 6 -3.034 9.523 -4.844 52 HG1 THR 6 1HG THR 6 -3.761 7.353 -4.973 53 HG21 THR 6 3HG2 THR 6 -1.966 8.815 -2.144 54 HG22 THR 6 1HG2 THR 6 -1.616 10.220 -3.149 55 HG23 THR 6 2HG2 THR 6 -0.981 8.636 -3.595 56 H ALA 7 H ALA 7 -5.726 11.256 -3.681 57 HA ALA 7 HA ALA 7 -7.556 9.885 -5.536 58 HB1 ALA 7 1HB ALA 7 -7.978 12.420 -3.960 59 HB2 ALA 7 2HB ALA 7 -8.657 10.834 -3.589 60 HB3 ALA 7 3HB ALA 7 -9.149 11.683 -5.054 61 H ARG 8 H ARG 8 -8.200 10.929 -7.470 62 HA ARG 8 HA ARG 8 -6.083 12.352 -8.771 63 HB2 ARG 8 2HB ARG 8 -8.852 11.524 -9.646 64 HB3 ARG 8 1HB ARG 8 -7.773 12.444 -10.685 65 HG2 ARG 8 2HG ARG 8 -6.143 10.645 -10.624 66 HG3 ARG 8 1HG ARG 8 -7.172 9.732 -9.520 67 HD2 ARG 8 2HD ARG 8 -7.273 9.057 -11.955 68 HD3 ARG 8 1HD ARG 8 -8.819 9.393 -11.180 69 HE ARG 8 HE ARG 8 -9.117 11.152 -12.613 70 HH11 ARG 8 1HH1 ARG 8 -5.755 10.184 -12.726 71 HH12 ARG 8 2HH1 ARG 8 -5.371 11.225 -14.054 72 HH21 ARG 8 1HH2 ARG 8 -8.605 12.524 -14.367 73 HH22 ARG 8 2HH2 ARG 8 -6.987 12.555 -14.986 74 H LYS 9 H LYS 9 -5.807 14.473 -8.949 75 HA LYS 9 HA LYS 9 -6.058 16.698 -8.573 76 HB2 LYS 9 2HB LYS 9 -7.872 17.740 -9.748 77 HB3 LYS 9 1HB LYS 9 -7.337 16.348 -10.677 78 HG2 LYS 9 2HG LYS 9 -9.241 15.091 -10.064 79 HG3 LYS 9 1HG LYS 9 -9.698 16.256 -8.819 80 HD2 LYS 9 2HD LYS 9 -9.797 17.921 -10.832 81 HD3 LYS 9 1HD LYS 9 -9.947 16.447 -11.790 82 HE2 LYS 9 2HE LYS 9 -11.722 17.164 -9.462 83 HE3 LYS 9 1HE LYS 9 -12.126 17.457 -11.152 84 HZ1 LYS 9 3HZ LYS 9 -11.919 15.040 -11.528 85 HZ2 LYS 9 1HZ LYS 9 -13.149 15.430 -10.432 86 HZ3 LYS 9 2HZ LYS 9 -11.677 14.815 -9.868 87 H SER 10 H SER 10 -8.242 18.314 -7.929 88 HA SER 10 HA SER 10 -9.488 17.290 -5.527 89 HB2 SER 10 2HB SER 10 -7.135 19.093 -5.469 90 HB3 SER 10 1HB SER 10 -8.468 19.523 -4.396 91 HG SER 10 HG SER 10 -7.760 18.015 -3.135 92 H THR 11 H THR 11 -8.704 20.277 -7.311 93 HA THR 11 HA THR 11 -10.009 21.918 -8.175 94 HB THR 11 HB THR 11 -12.541 20.572 -7.317 95 HG1 THR 11 1HG THR 11 -12.071 18.860 -8.399 96 HG21 THR 11 3HG2 THR 11 -11.681 22.404 -9.455 97 HG22 THR 11 1HG2 THR 11 -13.199 22.324 -8.562 98 HG23 THR 11 2HG2 THR 11 -12.892 21.196 -9.881 99 H GLY 12 H GLY 12 -11.817 20.732 -5.308 100 HA2 GLY 12 2HA GLY 12 -11.782 21.886 -3.205 101 HA3 GLY 12 1HA GLY 12 -11.379 23.364 -4.065 102 H GLY 13 H GLY 13 -13.982 20.916 -4.054 103 HA2 GLY 13 2HA GLY 13 -16.005 22.745 -3.317 104 HA3 GLY 13 1HA GLY 13 -15.991 22.575 -5.066 105 H SER 14 H SER 14 -15.418 19.901 -5.382 106 HA SER 14 HA SER 14 -17.914 18.702 -4.463 107 HB2 SER 14 2HB SER 14 -17.350 16.920 -6.134 108 HB3 SER 14 1HB SER 14 -17.494 18.532 -6.833 109 HG SER 14 HG SER 14 -15.389 18.572 -7.225 110 H SER 15 H SER 15 -16.181 18.966 -2.369 111 HA SER 15 HA SER 15 -15.765 16.204 -1.632 112 HB2 SER 15 2HB SER 15 -13.404 16.576 -0.911 113 HB3 SER 15 1HB SER 15 -13.616 16.660 -2.660 114 HG SER 15 HG SER 15 -13.433 18.860 -2.576 115 H GLY 16 H GLY 16 -14.663 19.412 -0.473 116 HA2 GLY 16 2HA GLY 16 -15.079 20.532 1.493 117 HA3 GLY 16 1HA GLY 16 -16.540 19.574 1.637 118 H SER 17 H SER 17 -13.678 17.724 1.374 119 HA SER 17 HA SER 17 -13.717 17.238 4.278 120 HB2 SER 17 2HB SER 17 -14.437 15.357 2.709 121 HB3 SER 17 1HB SER 17 -12.753 15.282 2.193 122 HG SER 17 HG SER 17 -13.323 13.824 3.933 123 H SER 18 H SER 18 -11.729 18.072 1.549 124 HA SER 18 HA SER 18 -9.609 18.875 1.420 125 HB2 SER 18 2HB SER 18 -9.522 18.557 4.432 126 HB3 SER 18 1HB SER 18 -8.363 19.453 3.452 127 HG SER 18 HG SER 18 -9.837 21.001 3.091 128 H GLN 19 H GLN 19 -7.627 17.985 0.987 129 HA GLN 19 HA GLN 19 -7.216 15.222 1.921 130 HB2 GLN 19 2HB GLN 19 -7.834 15.633 -0.561 131 HB3 GLN 19 1HB GLN 19 -6.189 16.231 -0.717 132 HG2 GLN 19 2HG GLN 19 -5.764 13.872 0.546 133 HG3 GLN 19 1HG GLN 19 -7.184 13.489 -0.425 134 HE21 GLN 19 1HE2 GLN 19 -3.913 13.456 -0.403 135 HE22 GLN 19 2HE2 GLN 19 -3.605 13.492 -2.103 136 H SER 20 H SER 20 -5.170 14.573 2.480 137 HA SER 20 HA SER 20 -3.146 16.707 2.695 138 HB2 SER 20 2HB SER 20 -4.038 14.585 4.583 139 HB3 SER 20 1HB SER 20 -2.315 14.956 4.558 140 HG SER 20 HG SER 20 -3.138 16.362 5.997 141 H LEU 21 H LEU 21 -0.858 15.891 2.743 142 HA LEU 21 HA LEU 21 -0.280 13.329 1.606 143 HB2 LEU 21 2HB LEU 21 -1.006 15.142 -0.265 144 HB3 LEU 21 1HB LEU 21 0.714 15.469 -0.175 145 HG LEU 21 HG LEU 21 -0.103 12.625 -0.454 146 HD11 LEU 21 1HD1 LEU 21 -1.534 14.046 -2.030 147 HD12 LEU 21 2HD1 LEU 21 -0.595 12.729 -2.734 148 HD13 LEU 21 3HD1 LEU 21 -0.026 14.392 -2.877 149 HD21 LEU 21 3HD2 LEU 21 2.267 13.548 -0.275 150 HD22 LEU 21 1HD2 LEU 21 2.029 14.161 -1.910 151 HD23 LEU 21 2HD2 LEU 21 1.937 12.428 -1.598 152 H ILE 22 H ILE 22 1.513 12.734 2.632 153 HA ILE 22 HA ILE 22 3.726 14.642 2.900 154 HB ILE 22 HB ILE 22 4.154 13.799 5.225 155 HG12 ILE 22 2HG1 ILE 22 1.319 13.046 5.583 156 HG13 ILE 22 1HG1 ILE 22 2.288 11.888 4.660 157 HG21 ILE 22 1HG2 ILE 22 1.752 15.434 4.527 158 HG22 ILE 22 2HG2 ILE 22 3.314 15.952 5.159 159 HG23 ILE 22 3HG2 ILE 22 2.165 15.127 6.212 160 HD11 ILE 22 3HD1 ILE 22 3.380 12.912 7.226 161 HD12 ILE 22 1HD1 ILE 22 3.578 11.337 6.456 162 HD13 ILE 22 2HD1 ILE 22 2.068 11.737 7.274 163 H ASP 23 H ASP 23 5.715 13.395 3.864 164 HA ASP 23 HA ASP 23 7.388 11.947 3.334 165 HB2 ASP 23 2HB ASP 23 6.980 9.662 3.987 166 HB3 ASP 23 1HB ASP 23 6.062 10.713 5.054 167 H GLU 24 H GLU 24 7.447 9.439 2.083 168 HA GLU 24 HA GLU 24 6.742 10.188 -0.672 169 HB2 GLU 24 2HB GLU 24 8.564 8.587 -1.332 170 HB3 GLU 24 1HB GLU 24 9.107 10.021 -0.476 171 HG2 GLU 24 2HG GLU 24 9.694 8.848 1.405 172 HG3 GLU 24 1HG GLU 24 8.569 7.532 1.069 173 H ASP 25 H ASP 25 5.258 9.049 -1.681 174 HA ASP 25 HA ASP 25 3.991 6.806 -0.462 175 HB2 ASP 25 2HB ASP 25 3.680 7.998 -3.226 176 HB3 ASP 25 1HB ASP 25 2.640 6.746 -2.560 177 H ALA 26 H ALA 26 3.603 4.735 -1.635 178 HA ALA 26 HA ALA 26 6.141 3.696 -2.656 179 HB1 ALA 26 1HB ALA 26 5.456 1.580 -1.956 180 HB2 ALA 26 2HB ALA 26 3.749 2.023 -1.966 181 HB3 ALA 26 3HB ALA 26 4.817 2.655 -0.713 182 H VAL 27 H VAL 27 5.640 1.665 -4.210 183 HA VAL 27 HA VAL 27 3.855 2.640 -6.342 184 HB VAL 27 HB VAL 27 5.447 1.749 -8.008 185 HG11 VAL 27 1HG1 VAL 27 5.494 4.145 -6.787 186 HG12 VAL 27 2HG1 VAL 27 6.562 3.711 -8.122 187 HG13 VAL 27 3HG1 VAL 27 7.138 3.604 -6.460 188 HG21 VAL 27 3HG2 VAL 27 6.874 0.906 -5.565 189 HG22 VAL 27 1HG2 VAL 27 7.876 1.569 -6.855 190 HG23 VAL 27 2HG2 VAL 27 6.842 0.177 -7.170 191 H CYS 28 H CYS 28 2.254 1.268 -6.721 192 HA CYS 28 HA CYS 28 2.063 -1.287 -5.628 193 HB2 CYS 28 2HB CYS 28 0.058 -0.147 -6.157 194 HB3 CYS 28 1HB CYS 28 0.538 0.058 -7.847 195 H SER 29 H SER 29 2.065 -3.357 -6.562 196 HA SER 29 HA SER 29 3.991 -3.650 -8.744 197 HB2 SER 29 2HB SER 29 4.166 -4.833 -6.446 198 HB3 SER 29 1HB SER 29 2.922 -5.913 -7.077 199 HG SER 29 HG SER 29 5.590 -5.674 -7.776 200 H ILE 30 H ILE 30 0.667 -4.550 -7.876 201 HA ILE 30 HA ILE 30 0.220 -6.265 -10.088 202 HB ILE 30 HB ILE 30 -1.632 -4.780 -8.236 203 HG12 ILE 30 2HG1 ILE 30 -2.227 -7.448 -8.095 204 HG13 ILE 30 1HG1 ILE 30 -0.496 -7.493 -8.459 205 HG21 ILE 30 1HG2 ILE 30 -2.801 -4.793 -10.339 206 HG22 ILE 30 2HG2 ILE 30 -3.513 -6.018 -9.287 207 HG23 ILE 30 3HG2 ILE 30 -2.422 -6.500 -10.585 208 HD11 ILE 30 3HD1 ILE 30 -0.790 -5.572 -6.452 209 HD12 ILE 30 1HD1 ILE 30 -0.124 -7.198 -6.300 210 HD13 ILE 30 2HD1 ILE 30 -1.836 -6.914 -5.987 211 H CYS 31 H CYS 31 0.168 -2.801 -9.724 212 HA CYS 31 HA CYS 31 -0.370 -2.529 -12.572 213 HB2 CYS 31 2HB CYS 31 -2.218 -1.119 -12.358 214 HB3 CYS 31 1HB CYS 31 -2.507 -2.338 -11.111 215 H MET 32 H MET 32 0.374 -0.565 -13.488 216 HA MET 32 HA MET 32 2.458 0.741 -11.893 217 HB2 MET 32 2HB MET 32 2.857 -0.315 -14.220 218 HB3 MET 32 1HB MET 32 2.035 1.102 -14.854 219 HG2 MET 32 2HG MET 32 3.754 2.501 -14.350 220 HG3 MET 32 1HG MET 32 4.275 1.547 -12.964 221 HE1 MET 32 3HE MET 32 6.109 2.579 -16.231 222 HE2 MET 32 1HE MET 32 4.367 2.416 -16.456 223 HE3 MET 32 2HE MET 32 5.469 1.322 -17.292 224 H ASP 33 H ASP 33 -0.080 1.492 -11.177 225 HA ASP 33 HA ASP 33 -1.452 3.261 -10.839 226 HB2 ASP 33 2HB ASP 33 1.231 4.362 -11.173 227 HB3 ASP 33 1HB ASP 33 -0.033 5.526 -11.594 228 H GLY 34 H GLY 34 -1.485 1.995 -13.491 229 HA2 GLY 34 2HA GLY 34 -2.242 4.273 -15.200 230 HA3 GLY 34 1HA GLY 34 -1.890 2.638 -15.768 231 H GLU 35 H GLU 35 -3.928 3.264 -12.979 232 HA GLU 35 HA GLU 35 -6.154 2.005 -14.385 233 HB2 GLU 35 2HB GLU 35 -5.751 2.669 -11.460 234 HB3 GLU 35 1HB GLU 35 -7.192 1.901 -12.112 235 HG2 GLU 35 2HG GLU 35 -4.489 0.693 -12.549 236 HG3 GLU 35 1HG GLU 35 -5.358 0.441 -11.038 237 H SER 36 H SER 36 -8.326 2.877 -14.207 238 HA SER 36 HA SER 36 -8.302 5.798 -14.393 239 HB2 SER 36 2HB SER 36 -10.666 5.375 -15.337 240 HB3 SER 36 1HB SER 36 -9.290 4.871 -16.318 241 HG SER 36 HG SER 36 -10.858 3.207 -14.631 242 H GLN 37 H GLN 37 -8.207 4.476 -11.793 243 HA GLN 37 HA GLN 37 -10.852 4.876 -10.656 244 HB2 GLN 37 2HB GLN 37 -9.490 2.947 -9.943 245 HB3 GLN 37 1HB GLN 37 -8.249 4.053 -9.343 246 HG2 GLN 37 2HG GLN 37 -9.282 3.797 -7.384 247 HG3 GLN 37 1HG GLN 37 -10.437 4.960 -8.025 248 HE21 GLN 37 1HE2 GLN 37 -11.105 3.154 -6.044 249 HE22 GLN 37 2HE2 GLN 37 -12.246 2.021 -6.672 250 H ASN 38 H ASN 38 -11.437 6.535 -9.318 251 HA ASN 38 HA ASN 38 -10.001 8.974 -9.497 252 HB2 ASN 38 2HB ASN 38 -12.492 8.785 -9.239 253 HB3 ASN 38 1HB ASN 38 -12.234 8.310 -7.563 254 HD21 ASN 38 1HD2 ASN 38 -12.523 10.894 -9.748 255 HD22 ASN 38 2HD2 ASN 38 -12.180 12.178 -8.644 256 H SER 39 H SER 39 -10.579 6.742 -6.768 257 HA SER 39 HA SER 39 -8.123 7.755 -5.515 258 HB2 SER 39 2HB SER 39 -9.957 8.854 -4.352 259 HB3 SER 39 1HB SER 39 -10.765 7.302 -4.103 260 HG SER 39 HG SER 39 -8.146 7.723 -3.142 261 H ASN 40 H ASN 40 -6.822 6.226 -4.648 262 HA ASN 40 HA ASN 40 -7.861 3.489 -4.359 263 HB2 ASN 40 2HB ASN 40 -5.642 2.682 -5.298 264 HB3 ASN 40 1HB ASN 40 -6.745 3.410 -6.461 265 HD21 ASN 40 1HD2 ASN 40 -3.928 4.074 -4.437 266 HD22 ASN 40 2HD2 ASN 40 -3.253 5.285 -5.467 267 H VAL 41 H VAL 41 -6.245 2.069 -3.146 268 HA VAL 41 HA VAL 41 -4.739 3.624 -1.157 269 HB VAL 41 HB VAL 41 -5.490 1.988 0.600 270 HG11 VAL 41 1HG1 VAL 41 -7.007 3.489 1.272 271 HG12 VAL 41 2HG1 VAL 41 -7.996 3.282 -0.173 272 HG13 VAL 41 3HG1 VAL 41 -6.595 4.351 -0.210 273 HG21 VAL 41 3HG2 VAL 41 -6.350 0.170 -0.619 274 HG22 VAL 41 1HG2 VAL 41 -7.398 1.207 -1.587 275 HG23 VAL 41 2HG2 VAL 41 -7.757 0.938 0.117 276 H ILE 42 H ILE 42 -2.678 3.042 -1.346 277 HA ILE 42 HA ILE 42 -1.971 0.379 -2.272 278 HB ILE 42 HB ILE 42 -0.795 2.474 -3.071 279 HG12 ILE 42 2HG1 ILE 42 1.326 0.748 -1.913 280 HG13 ILE 42 1HG1 ILE 42 0.087 -0.069 -2.876 281 HG21 ILE 42 1HG2 ILE 42 -0.569 3.110 -0.452 282 HG22 ILE 42 2HG2 ILE 42 0.448 3.780 -1.730 283 HG23 ILE 42 3HG2 ILE 42 1.026 2.423 -0.764 284 HD11 ILE 42 3HD1 ILE 42 2.366 1.166 -3.816 285 HD12 ILE 42 1HD1 ILE 42 1.080 2.315 -4.182 286 HD13 ILE 42 2HD1 ILE 42 0.974 0.657 -4.773 287 H LEU 43 H LEU 43 -0.371 -0.944 -1.107 288 HA LEU 43 HA LEU 43 -0.394 -0.495 1.795 289 HB2 LEU 43 2HB LEU 43 -1.015 -3.071 0.358 290 HB3 LEU 43 1HB LEU 43 -0.688 -2.964 2.077 291 HG LEU 43 HG LEU 43 -2.959 -1.560 0.677 292 HD11 LEU 43 1HD1 LEU 43 -4.300 -3.248 2.064 293 HD12 LEU 43 2HD1 LEU 43 -2.798 -4.171 2.131 294 HD13 LEU 43 3HD1 LEU 43 -3.543 -3.807 0.573 295 HD21 LEU 43 3HD2 LEU 43 -2.035 -1.717 3.518 296 HD22 LEU 43 1HD2 LEU 43 -3.734 -1.436 3.134 297 HD23 LEU 43 2HD2 LEU 43 -2.503 -0.304 2.572 298 H PHE 44 H PHE 44 1.531 -0.616 2.692 299 HA PHE 44 HA PHE 44 3.716 -1.875 1.163 300 HB2 PHE 44 2HB PHE 44 3.571 0.690 2.063 301 HB3 PHE 44 1HB PHE 44 4.399 -0.081 3.411 302 HD1 PHE 44 1HD PHE 44 4.591 -0.553 -0.283 303 HD2 PHE 44 2HD PHE 44 6.637 0.423 3.319 304 HE1 PHE 44 1HE PHE 44 6.718 -0.424 -1.525 305 HE2 PHE 44 2HE PHE 44 8.761 0.554 2.085 306 HZ PHE 44 HZ PHE 44 8.804 0.130 -0.340 307 H CYS 45 H CYS 45 4.882 -3.536 2.052 308 HA CYS 45 HA CYS 45 3.816 -4.856 4.315 309 HB2 CYS 45 2HB CYS 45 5.168 -5.879 2.387 310 HB3 CYS 45 1HB CYS 45 6.600 -5.359 3.291 311 H ASP 46 H ASP 46 4.732 -5.268 6.363 312 HA ASP 46 HA ASP 46 5.993 -2.942 7.509 313 HB2 ASP 46 2HB ASP 46 4.595 -5.349 8.531 314 HB3 ASP 46 1HB ASP 46 5.782 -4.604 9.609 315 H MET 47 H MET 47 7.105 -5.967 6.304 316 HA MET 47 HA MET 47 9.735 -5.424 7.510 317 HB2 MET 47 2HB MET 47 8.300 -7.490 8.399 318 HB3 MET 47 1HB MET 47 8.963 -8.256 6.955 319 HG2 MET 47 2HG MET 47 11.239 -7.579 7.768 320 HG3 MET 47 1HG MET 47 10.473 -7.086 9.278 321 HE1 MET 47 3HE MET 47 11.974 -9.652 7.177 322 HE2 MET 47 1HE MET 47 11.956 -11.118 8.155 323 HE3 MET 47 2HE MET 47 12.846 -9.701 8.709 324 H CYS 48 H CYS 48 8.161 -5.115 4.843 325 HA CYS 48 HA CYS 48 10.391 -5.823 3.132 326 HB2 CYS 48 2HB CYS 48 7.575 -6.714 2.481 327 HB3 CYS 48 1HB CYS 48 9.047 -7.072 1.593 328 H ASN 49 H ASN 49 9.482 -5.245 0.720 329 HA ASN 49 HA ASN 49 8.442 -2.502 0.915 330 HB2 ASN 49 2HB ASN 49 10.324 -3.759 -1.094 331 HB3 ASN 49 1HB ASN 49 9.580 -2.171 -1.322 332 HD21 ASN 49 1HD2 ASN 49 12.401 -3.271 -0.805 333 HD22 ASN 49 2HD2 ASN 49 13.013 -2.221 0.423 334 H LEU 50 H LEU 50 7.070 -5.261 0.541 335 HA LEU 50 HA LEU 50 6.017 -5.373 -2.061 336 HB2 LEU 50 2HB LEU 50 5.880 -7.274 -0.562 337 HB3 LEU 50 1HB LEU 50 4.859 -6.362 0.550 338 HG LEU 50 HG LEU 50 3.382 -6.212 -1.727 339 HD11 LEU 50 1HD1 LEU 50 3.375 -8.277 -2.886 340 HD12 LEU 50 2HD1 LEU 50 4.531 -8.991 -1.760 341 HD13 LEU 50 3HD1 LEU 50 5.045 -7.711 -2.860 342 HD21 LEU 50 3HD2 LEU 50 3.035 -7.166 0.759 343 HD22 LEU 50 1HD2 LEU 50 2.982 -8.676 -0.154 344 HD23 LEU 50 2HD2 LEU 50 1.857 -7.374 -0.538 345 H ALA 51 H ALA 51 5.291 -3.444 -2.819 346 HA ALA 51 HA ALA 51 3.182 -2.075 -1.318 347 HB1 ALA 51 1HB ALA 51 4.062 -0.167 -2.048 348 HB2 ALA 51 2HB ALA 51 3.993 -0.709 -3.723 349 HB3 ALA 51 3HB ALA 51 5.390 -1.109 -2.724 350 H VAL 52 H VAL 52 1.209 -2.864 -1.811 351 HA VAL 52 HA VAL 52 0.396 -2.888 -4.616 352 HB VAL 52 HB VAL 52 -0.787 -5.101 -4.280 353 HG11 VAL 52 1HG1 VAL 52 2.220 -4.987 -4.351 354 HG12 VAL 52 2HG1 VAL 52 1.103 -5.033 -5.715 355 HG13 VAL 52 3HG1 VAL 52 1.290 -6.448 -4.681 356 HG21 VAL 52 3HG2 VAL 52 -0.422 -6.444 -2.488 357 HG22 VAL 52 1HG2 VAL 52 -0.177 -4.892 -1.690 358 HG23 VAL 52 2HG2 VAL 52 1.213 -5.839 -2.221 359 H HIS 53 H HIS 53 -1.678 -2.160 -4.898 360 HA HIS 53 HA HIS 53 -3.084 -1.050 -2.710 361 HB2 HIS 53 2HB HIS 53 -4.242 -1.788 -5.411 362 HB3 HIS 53 1HB HIS 53 -4.927 -0.658 -4.258 363 HD2 HIS 53 2HD HIS 53 -3.348 1.747 -3.934 364 HE1 HIS 53 1HE HIS 53 -1.632 1.283 -7.775 365 HE2 HIS 53 2HE HIS 53 -2.146 2.923 -5.910 366 H GLN 54 H GLN 54 -4.836 -1.795 -1.508 367 HA GLN 54 HA GLN 54 -5.037 -4.573 -1.093 368 HB2 GLN 54 2HB GLN 54 -6.855 -4.088 0.418 369 HB3 GLN 54 1HB GLN 54 -5.592 -2.885 0.624 370 HG2 GLN 54 2HG GLN 54 -7.170 -1.344 0.443 371 HG3 GLN 54 1HG GLN 54 -7.286 -1.774 -1.272 372 HE21 GLN 54 1HE2 GLN 54 -8.345 -3.271 1.783 373 HE22 GLN 54 2HE2 GLN 54 -9.986 -3.498 1.294 374 H GLU 55 H GLU 55 -6.529 -2.563 -3.438 375 HA GLU 55 HA GLU 55 -8.719 -4.417 -3.957 376 HB2 GLU 55 2HB GLU 55 -7.914 -1.754 -5.114 377 HB3 GLU 55 1HB GLU 55 -9.128 -2.761 -5.890 378 HG2 GLU 55 2HG GLU 55 -10.256 -2.756 -3.552 379 HG3 GLU 55 1HG GLU 55 -9.242 -1.342 -3.268 380 H CYS 56 H CYS 56 -5.576 -3.554 -5.053 381 HA CYS 56 HA CYS 56 -5.675 -4.842 -7.594 382 HB2 CYS 56 2HB CYS 56 -3.865 -3.198 -6.077 383 HB3 CYS 56 1HB CYS 56 -3.019 -4.591 -6.689 384 H TYR 57 H TYR 57 -4.527 -5.635 -4.350 385 HA TYR 57 HA TYR 57 -3.503 -8.195 -5.165 386 HB2 TYR 57 2HB TYR 57 -2.489 -6.840 -3.322 387 HB3 TYR 57 1HB TYR 57 -3.931 -7.155 -2.362 388 HD1 TYR 57 2HD TYR 57 -1.067 -8.806 -4.050 389 HD2 TYR 57 1HD TYR 57 -4.144 -9.153 -1.130 390 HE1 TYR 57 2HE TYR 57 -0.067 -10.905 -3.252 391 HE2 TYR 57 1HE TYR 57 -3.152 -11.254 -0.327 392 HH TYR 57 HH TYR 57 -0.868 -12.981 -2.034 393 H GLY 58 H GLY 58 -6.404 -6.951 -3.619 394 HA2 GLY 58 2HA GLY 58 -8.505 -8.043 -3.748 395 HA3 GLY 58 1HA GLY 58 -7.661 -9.580 -3.976 396 H VAL 59 H VAL 59 -7.040 -7.146 -1.483 397 HA VAL 59 HA VAL 59 -7.137 -9.133 0.579 398 HB VAL 59 HB VAL 59 -6.972 -6.132 0.906 399 HG11 VAL 59 1HG1 VAL 59 -6.547 -6.453 3.096 400 HG12 VAL 59 2HG1 VAL 59 -5.676 -7.961 2.820 401 HG13 VAL 59 3HG1 VAL 59 -7.439 -7.950 2.836 402 HG21 VAL 59 3HG2 VAL 59 -5.193 -7.357 -0.559 403 HG22 VAL 59 1HG2 VAL 59 -4.591 -7.936 0.994 404 HG23 VAL 59 2HG2 VAL 59 -4.676 -6.203 0.671 405 HA PRO 60 HA PRO 60 -11.540 -8.726 1.254 406 HB2 PRO 60 2HB PRO 60 -11.690 -10.313 3.458 407 HB3 PRO 60 1HB PRO 60 -11.548 -10.948 1.811 408 HG2 PRO 60 2HG PRO 60 -9.427 -10.578 3.892 409 HG3 PRO 60 1HG PRO 60 -9.690 -11.944 2.792 410 HD2 PRO 60 2HD PRO 60 -7.814 -10.048 2.332 411 HD3 PRO 60 1HD PRO 60 -8.675 -10.876 1.019 412 H TYR 61 H TYR 61 -9.264 -8.401 3.987 413 HA TYR 61 HA TYR 61 -10.803 -6.087 4.904 414 HB2 TYR 61 2HB TYR 61 -11.448 -8.211 6.179 415 HB3 TYR 61 1HB TYR 61 -9.817 -8.158 6.865 416 HD1 TYR 61 2HD TYR 61 -12.970 -6.218 6.554 417 HD2 TYR 61 1HD TYR 61 -9.340 -6.770 8.704 418 HE1 TYR 61 2HE TYR 61 -13.760 -4.653 8.277 419 HE2 TYR 61 1HE TYR 61 -10.121 -5.207 10.434 420 HH TYR 61 HH TYR 61 -12.651 -3.118 10.022 421 H ILE 62 H ILE 62 -9.598 -4.579 6.151 422 HA ILE 62 HA ILE 62 -6.703 -4.790 5.705 423 HB ILE 62 HB ILE 62 -8.270 -2.315 6.437 424 HG12 ILE 62 2HG1 ILE 62 -7.319 -3.211 3.705 425 HG13 ILE 62 1HG1 ILE 62 -8.992 -3.246 4.253 426 HG21 ILE 62 1HG2 ILE 62 -5.427 -2.869 5.725 427 HG22 ILE 62 2HG2 ILE 62 -6.091 -1.820 6.978 428 HG23 ILE 62 3HG2 ILE 62 -6.142 -1.316 5.289 429 HD11 ILE 62 3HD1 ILE 62 -7.271 -0.883 3.625 430 HD12 ILE 62 1HD1 ILE 62 -8.709 -0.728 4.633 431 HD13 ILE 62 2HD1 ILE 62 -8.853 -1.314 2.976 432 HA PRO 63 HA PRO 63 -6.587 -5.761 10.150 433 HB2 PRO 63 2HB PRO 63 -3.684 -5.797 9.507 434 HB3 PRO 63 1HB PRO 63 -4.676 -7.014 10.336 435 HG2 PRO 63 2HG PRO 63 -3.848 -7.401 7.831 436 HG3 PRO 63 1HG PRO 63 -5.465 -7.910 8.348 437 HD2 PRO 63 2HD PRO 63 -4.652 -5.526 6.735 438 HD3 PRO 63 1HD PRO 63 -6.064 -6.585 6.551 439 H GLU 64 H GLU 64 -5.924 -4.627 11.985 440 HA GLU 64 HA GLU 64 -4.999 -1.890 11.478 441 HB2 GLU 64 2HB GLU 64 -6.866 -3.126 13.366 442 HB3 GLU 64 1HB GLU 64 -5.773 -1.977 14.122 443 HG2 GLU 64 2HG GLU 64 -7.125 -0.362 13.461 444 HG3 GLU 64 1HG GLU 64 -6.654 -0.715 11.799 445 H GLY 65 H GLY 65 -3.164 -4.187 11.574 446 HA2 GLY 65 2HA GLY 65 -1.437 -3.182 13.731 447 HA3 GLY 65 1HA GLY 65 -1.698 -4.912 13.575 448 H GLN 66 H GLN 66 0.109 -5.793 12.802 449 HA GLN 66 HA GLN 66 1.744 -4.339 10.878 450 HB2 GLN 66 2HB GLN 66 2.221 -7.062 12.107 451 HB3 GLN 66 1HB GLN 66 3.382 -6.108 11.194 452 HG2 GLN 66 2HG GLN 66 2.774 -4.354 13.139 453 HG3 GLN 66 1HG GLN 66 2.515 -5.871 14.000 454 HE21 GLN 66 1HE2 GLN 66 4.469 -7.435 12.759 455 HE22 GLN 66 2HE2 GLN 66 6.024 -6.836 13.214 456 H TRP 67 H TRP 67 2.331 -5.168 8.835 457 HA TRP 67 HA TRP 67 0.489 -7.208 7.774 458 HB2 TRP 67 2HB TRP 67 0.061 -4.865 6.958 459 HB3 TRP 67 1HB TRP 67 1.653 -4.896 6.208 460 HD1 TRP 67 HD TRP 67 -1.076 -7.657 6.151 461 HE1 TRP 67 1HE TRP 67 -1.595 -8.206 3.694 462 HE3 TRP 67 3HE TRP 67 1.918 -4.185 3.890 463 HZ2 TRP 67 2HZ TRP 67 -0.842 -7.286 1.131 464 HZ3 TRP 67 3HZ TRP 67 1.963 -4.086 1.433 465 HH2 TRP 67 HH TRP 67 0.613 -5.605 0.084 466 H LEU 68 H LEU 68 1.599 -9.018 7.480 467 HA LEU 68 HA LEU 68 4.329 -8.845 6.377 468 HB2 LEU 68 2HB LEU 68 3.048 -10.944 8.129 469 HB3 LEU 68 1HB LEU 68 4.549 -11.217 7.267 470 HG LEU 68 HG LEU 68 4.737 -10.598 9.721 471 HD11 LEU 68 1HD1 LEU 68 6.692 -9.156 9.346 472 HD12 LEU 68 2HD1 LEU 68 6.181 -8.925 7.674 473 HD13 LEU 68 3HD1 LEU 68 6.643 -10.531 8.241 474 HD21 LEU 68 3HD2 LEU 68 2.993 -8.737 9.472 475 HD22 LEU 68 1HD2 LEU 68 4.311 -7.776 8.800 476 HD23 LEU 68 2HD2 LEU 68 4.425 -8.402 10.444 477 H CYS 69 H CYS 69 4.272 -9.205 4.243 478 HA CYS 69 HA CYS 69 2.203 -10.488 2.864 479 HB2 CYS 69 2HB CYS 69 3.666 -10.430 0.910 480 HB3 CYS 69 1HB CYS 69 3.761 -8.903 1.794 481 H ARG 70 H ARG 70 2.400 -12.477 1.561 482 HA ARG 70 HA ARG 70 2.690 -14.730 3.084 483 HB2 ARG 70 2HB ARG 70 2.950 -14.433 0.099 484 HB3 ARG 70 1HB ARG 70 2.829 -15.985 0.917 485 HG2 ARG 70 2HG ARG 70 0.626 -15.633 1.541 486 HG3 ARG 70 1HG ARG 70 0.746 -13.884 1.344 487 HD2 ARG 70 2HD ARG 70 0.584 -14.000 -0.962 488 HD3 ARG 70 1HD ARG 70 1.113 -15.679 -1.017 489 HE ARG 70 HE ARG 70 -1.571 -14.708 -0.630 490 HH11 ARG 70 1HH1 ARG 70 0.598 -17.417 -0.163 491 HH12 ARG 70 2HH1 ARG 70 -0.675 -18.587 -0.119 492 HH21 ARG 70 1HH2 ARG 70 -3.245 -16.254 -0.568 493 HH22 ARG 70 2HH2 ARG 70 -2.859 -17.928 -0.348 494 H HIS 71 H HIS 71 5.295 -13.036 1.437 495 HA HIS 71 HA HIS 71 7.094 -15.252 1.456 496 HB2 HIS 71 2HB HIS 71 7.621 -12.287 1.172 497 HB3 HIS 71 1HB HIS 71 8.820 -13.550 0.918 498 HD1 HIS 71 1HD HIS 71 7.960 -15.393 -1.008 499 HD2 HIS 71 2HD HIS 71 6.413 -11.537 -1.126 500 HE1 HIS 71 1HE HIS 71 7.059 -15.101 -3.337 501 HE2 HIS 71 2HE HIS 71 6.061 -12.787 -3.363 502 H CYS 72 H CYS 72 6.698 -12.379 3.500 503 HA CYS 72 HA CYS 72 8.783 -13.267 5.274 504 HB2 CYS 72 2HB CYS 72 8.227 -11.268 6.565 505 HB3 CYS 72 1HB CYS 72 8.522 -10.919 4.854 506 H LEU 73 H LEU 73 5.231 -12.965 5.457 507 HA LEU 73 HA LEU 73 4.965 -13.833 8.109 508 HB2 LEU 73 2HB LEU 73 2.677 -14.153 7.683 509 HB3 LEU 73 1HB LEU 73 3.162 -12.829 6.647 510 HG LEU 73 HG LEU 73 3.400 -14.646 4.810 511 HD11 LEU 73 1HD1 LEU 73 2.091 -16.124 7.011 512 HD12 LEU 73 2HD1 LEU 73 3.124 -16.706 5.705 513 HD13 LEU 73 3HD1 LEU 73 1.424 -16.353 5.394 514 HD21 LEU 73 3HD2 LEU 73 0.974 -13.340 5.898 515 HD22 LEU 73 1HD2 LEU 73 0.740 -14.577 4.663 516 HD23 LEU 73 2HD2 LEU 73 1.746 -13.170 4.322 517 H GLN 74 H GLN 74 5.726 -15.544 5.203 518 HA GLN 74 HA GLN 74 5.071 -18.154 6.277 519 HB2 GLN 74 2HB GLN 74 4.901 -17.780 3.875 520 HB3 GLN 74 1HB GLN 74 6.600 -17.339 3.799 521 HG2 GLN 74 2HG GLN 74 7.135 -19.655 4.600 522 HG3 GLN 74 1HG GLN 74 5.427 -20.042 4.391 523 HE21 GLN 74 1HE2 GLN 74 4.736 -20.641 2.440 524 HE22 GLN 74 2HE2 GLN 74 5.666 -20.567 0.986 525 H SER 75 H SER 75 7.945 -16.161 5.783 526 HA SER 75 HA SER 75 9.949 -17.982 6.403 527 HB2 SER 75 2HB SER 75 9.699 -15.003 6.721 528 HB3 SER 75 1HB SER 75 11.116 -15.836 7.361 529 HG SER 75 HG SER 75 11.643 -16.502 5.320 530 H ARG 76 H ARG 76 7.876 -16.084 8.552 531 HA ARG 76 HA ARG 76 9.172 -17.227 10.903 532 HB2 ARG 76 2HB ARG 76 8.566 -14.796 10.804 533 HB3 ARG 76 1HB ARG 76 6.871 -15.273 10.809 534 HG2 ARG 76 2HG ARG 76 7.266 -16.419 12.984 535 HG3 ARG 76 1HG ARG 76 8.898 -15.747 12.985 536 HD2 ARG 76 2HD ARG 76 6.840 -13.745 12.488 537 HD3 ARG 76 1HD ARG 76 6.643 -14.562 14.039 538 HE ARG 76 HE ARG 76 9.338 -13.754 13.646 539 HH11 ARG 76 1HH1 ARG 76 6.176 -12.511 14.488 540 HH12 ARG 76 2HH1 ARG 76 6.806 -11.186 15.406 541 HH21 ARG 76 1HH2 ARG 76 10.163 -12.002 14.856 542 HH22 ARG 76 2HH2 ARG 76 9.067 -10.897 15.615 543 H ALA 77 H ALA 77 6.371 -17.740 8.943 544 HA ALA 77 HA ALA 77 4.581 -18.849 10.774 545 HB1 ALA 77 1HB ALA 77 3.793 -18.404 8.589 546 HB2 ALA 77 2HB ALA 77 3.719 -20.154 8.790 547 HB3 ALA 77 3HB ALA 77 5.027 -19.428 7.855 548 H ARG 78 H ARG 78 7.427 -20.241 9.247 549 HA ARG 78 HA ARG 78 6.924 -22.943 9.865 550 HB2 ARG 78 2HB ARG 78 8.944 -21.515 8.557 551 HB3 ARG 78 1HB ARG 78 9.753 -22.308 9.900 552 HG2 ARG 78 2HG ARG 78 7.941 -23.797 8.029 553 HG3 ARG 78 1HG ARG 78 9.659 -23.563 7.698 554 HD2 ARG 78 2HD ARG 78 8.382 -25.047 9.983 555 HD3 ARG 78 1HD ARG 78 9.463 -25.677 8.743 556 HE ARG 78 HE ARG 78 10.205 -24.356 11.179 557 HH11 ARG 78 1HH1 ARG 78 11.228 -25.049 7.903 558 HH12 ARG 78 2HH1 ARG 78 12.912 -24.872 8.258 559 HH21 ARG 78 1HH2 ARG 78 12.432 -24.125 11.643 560 HH22 ARG 78 2HH2 ARG 78 13.596 -24.347 10.381 561 HA PRO 79 HA PRO 79 9.711 -22.382 13.799 562 HB2 PRO 79 2HB PRO 79 10.116 -19.789 14.612 563 HB3 PRO 79 1HB PRO 79 11.265 -20.718 13.645 564 HG2 PRO 79 2HG PRO 79 9.253 -18.687 12.768 565 HG3 PRO 79 1HG PRO 79 10.921 -18.922 12.217 566 HD2 PRO 79 2HD PRO 79 8.820 -19.780 10.776 567 HD3 PRO 79 1HD PRO 79 10.347 -20.683 10.828 568 H ALA 80 H ALA 80 8.249 -23.052 15.234 569 HA ALA 80 HA ALA 80 6.537 -23.098 16.728 570 HB1 ALA 80 1HB ALA 80 6.960 -20.111 16.805 571 HB2 ALA 80 2HB ALA 80 7.791 -21.303 17.806 572 HB3 ALA 80 3HB ALA 80 6.054 -21.058 17.983 Start of MODEL 7 1 H1 ALA 1 1HT ALA 1 -3.300 -2.143 8.972 2 H2 ALA 1 2HT ALA 1 -1.888 -2.213 9.946 3 H3 ALA 1 3HT ALA 1 -2.567 -3.656 9.313 4 HA ALA 1 HA ALA 1 -0.546 -2.797 8.193 5 HB1 ALA 1 2HB ALA 1 -1.291 -3.503 6.060 6 HB2 ALA 1 3HB ALA 1 -2.957 -3.035 6.407 7 HB3 ALA 1 1HB ALA 1 -2.235 -4.412 7.242 8 H ARG 2 H ARG 2 0.460 -1.135 7.214 9 HA ARG 2 HA ARG 2 -0.711 1.455 7.297 10 HB2 ARG 2 2HB ARG 2 1.907 0.318 6.454 11 HB3 ARG 2 1HB ARG 2 1.474 1.897 5.813 12 HG2 ARG 2 2HG ARG 2 1.326 2.840 7.991 13 HG3 ARG 2 1HG ARG 2 1.444 1.252 8.753 14 HD2 ARG 2 2HD ARG 2 3.579 2.774 7.279 15 HD3 ARG 2 1HD ARG 2 3.575 2.273 8.970 16 HE ARG 2 HE ARG 2 3.473 -0.087 7.750 17 HH11 ARG 2 1HH1 ARG 2 5.530 2.685 7.160 18 HH12 ARG 2 2HH1 ARG 2 6.806 1.743 6.469 19 HH21 ARG 2 1HH2 ARG 2 5.143 -1.316 6.830 20 HH22 ARG 2 2HH2 ARG 2 6.586 -0.538 6.278 21 H THR 3 H THR 3 -1.999 2.387 5.860 22 HA THR 3 HA THR 3 -1.843 1.532 3.048 23 HB THR 3 HB THR 3 -4.427 2.449 4.282 24 HG1 THR 3 1HG THR 3 -3.988 0.723 5.561 25 HG21 THR 3 3HG2 THR 3 -5.346 0.842 2.576 26 HG22 THR 3 1HG2 THR 3 -3.716 0.766 1.904 27 HG23 THR 3 2HG2 THR 3 -4.581 2.302 1.947 28 H LYS 4 H LYS 4 -1.662 3.107 1.572 29 HA LYS 4 HA LYS 4 -1.873 5.894 2.504 30 HB2 LYS 4 2HB LYS 4 0.212 4.550 1.172 31 HB3 LYS 4 1HB LYS 4 -0.514 5.600 -0.033 32 HG2 LYS 4 2HG LYS 4 0.086 6.765 2.629 33 HG3 LYS 4 1HG LYS 4 1.438 6.412 1.552 34 HD2 LYS 4 2HD LYS 4 0.683 7.901 -0.081 35 HD3 LYS 4 1HD LYS 4 -0.956 7.932 0.574 36 HE2 LYS 4 2HE LYS 4 -0.270 9.917 1.412 37 HE3 LYS 4 1HE LYS 4 0.382 8.893 2.690 38 HZ1 LYS 4 3HZ LYS 4 2.437 8.853 1.068 39 HZ2 LYS 4 1HZ LYS 4 2.219 10.112 2.178 40 HZ3 LYS 4 2HZ LYS 4 1.784 10.326 0.556 41 H GLN 5 H GLN 5 -3.548 7.025 1.766 42 HA GLN 5 HA GLN 5 -4.894 6.107 -0.683 43 HB2 GLN 5 2HB GLN 5 -6.210 6.089 1.440 44 HB3 GLN 5 1HB GLN 5 -6.018 7.833 1.530 45 HG2 GLN 5 2HG GLN 5 -7.039 7.520 -0.978 46 HG3 GLN 5 1HG GLN 5 -7.831 6.216 -0.096 47 HE21 GLN 5 1HE2 GLN 5 -8.917 8.706 -1.229 48 HE22 GLN 5 2HE2 GLN 5 -9.688 9.519 0.087 49 H THR 6 H THR 6 -5.127 7.421 -2.397 50 HA THR 6 HA THR 6 -4.438 10.261 -2.119 51 HB THR 6 HB THR 6 -3.167 10.090 -4.279 52 HG1 THR 6 1HG THR 6 -3.958 8.114 -5.028 53 HG21 THR 6 3HG2 THR 6 -1.448 8.332 -2.935 54 HG22 THR 6 1HG2 THR 6 -2.285 9.260 -1.692 55 HG23 THR 6 2HG2 THR 6 -1.393 10.094 -2.964 56 H ALA 7 H ALA 7 -5.785 11.600 -3.172 57 HA ALA 7 HA ALA 7 -7.751 10.406 -5.016 58 HB1 ALA 7 1HB ALA 7 -7.996 12.273 -2.809 59 HB2 ALA 7 2HB ALA 7 -9.239 11.346 -3.647 60 HB3 ALA 7 3HB ALA 7 -8.716 12.902 -4.289 61 H ARG 8 H ARG 8 -8.099 11.279 -7.018 62 HA ARG 8 HA ARG 8 -6.362 13.528 -7.804 63 HB2 ARG 8 2HB ARG 8 -6.479 10.863 -8.857 64 HB3 ARG 8 1HB ARG 8 -6.987 11.995 -10.102 65 HG2 ARG 8 2HG ARG 8 -4.440 12.275 -8.527 66 HG3 ARG 8 1HG ARG 8 -4.553 11.471 -10.093 67 HD2 ARG 8 2HD ARG 8 -4.723 13.412 -11.222 68 HD3 ARG 8 1HD ARG 8 -5.747 14.153 -9.994 69 HE ARG 8 HE ARG 8 -3.883 15.074 -9.037 70 HH11 ARG 8 1HH1 ARG 8 -2.869 12.563 -11.260 71 HH12 ARG 8 2HH1 ARG 8 -1.191 12.972 -11.155 72 HH21 ARG 8 1HH2 ARG 8 -1.664 15.606 -8.896 73 HH22 ARG 8 2HH2 ARG 8 -0.506 14.699 -9.812 74 H LYS 9 H LYS 9 -7.777 15.190 -7.787 75 HA LYS 9 HA LYS 9 -10.151 14.943 -9.518 76 HB2 LYS 9 2HB LYS 9 -11.242 16.651 -8.082 77 HB3 LYS 9 1HB LYS 9 -10.904 15.147 -7.238 78 HG2 LYS 9 2HG LYS 9 -9.944 16.360 -5.650 79 HG3 LYS 9 1HG LYS 9 -8.651 16.719 -6.795 80 HD2 LYS 9 2HD LYS 9 -11.109 18.358 -7.007 81 HD3 LYS 9 1HD LYS 9 -10.105 18.616 -5.578 82 HE2 LYS 9 2HE LYS 9 -8.311 18.507 -7.709 83 HE3 LYS 9 1HE LYS 9 -9.673 19.445 -8.316 84 HZ1 LYS 9 3HZ LYS 9 -7.776 20.644 -7.090 85 HZ2 LYS 9 1HZ LYS 9 -8.505 20.061 -5.679 86 HZ3 LYS 9 2HZ LYS 9 -9.371 21.070 -6.724 87 H SER 10 H SER 10 -7.194 16.121 -9.678 88 HA SER 10 HA SER 10 -8.040 18.566 -11.075 89 HB2 SER 10 2HB SER 10 -5.731 19.483 -10.358 90 HB3 SER 10 1HB SER 10 -7.020 19.453 -9.154 91 HG SER 10 HG SER 10 -4.867 17.630 -9.437 92 H THR 11 H THR 11 -6.275 19.368 -12.583 93 HA THR 11 HA THR 11 -5.668 17.344 -14.458 94 HB THR 11 HB THR 11 -4.371 19.133 -15.623 95 HG1 THR 11 1HG THR 11 -4.126 21.088 -14.706 96 HG21 THR 11 3HG2 THR 11 -7.128 19.828 -14.660 97 HG22 THR 11 1HG2 THR 11 -6.656 19.106 -16.197 98 HG23 THR 11 2HG2 THR 11 -6.252 20.787 -15.852 99 H GLY 12 H GLY 12 -3.760 18.895 -11.923 100 HA2 GLY 12 2HA GLY 12 -2.058 17.225 -11.023 101 HA3 GLY 12 1HA GLY 12 -1.453 17.210 -12.672 102 H GLY 13 H GLY 13 0.519 17.815 -11.246 103 HA2 GLY 13 2HA GLY 13 1.398 20.331 -11.877 104 HA3 GLY 13 1HA GLY 13 0.640 20.524 -10.306 105 H SER 14 H SER 14 3.128 21.211 -10.245 106 HA SER 14 HA SER 14 4.554 18.929 -9.045 107 HB2 SER 14 2HB SER 14 5.643 21.065 -10.877 108 HB3 SER 14 1HB SER 14 6.687 20.113 -9.821 109 HG SER 14 HG SER 14 6.090 18.274 -10.905 110 H SER 15 H SER 15 4.436 22.498 -9.210 111 HA SER 15 HA SER 15 5.558 22.668 -6.523 112 HB2 SER 15 2HB SER 15 6.444 24.209 -8.205 113 HB3 SER 15 1HB SER 15 4.828 24.852 -8.496 114 HG SER 15 HG SER 15 6.470 25.136 -6.219 115 H GLY 16 H GLY 16 4.516 24.265 -4.989 116 HA2 GLY 16 2HA GLY 16 2.426 25.406 -4.384 117 HA3 GLY 16 1HA GLY 16 1.570 24.089 -5.170 118 H SER 17 H SER 17 3.124 21.947 -4.109 119 HA SER 17 HA SER 17 2.305 22.073 -1.283 120 HB2 SER 17 2HB SER 17 1.149 20.447 -2.970 121 HB3 SER 17 1HB SER 17 2.617 19.487 -2.782 122 HG SER 17 HG SER 17 0.880 20.331 -0.696 123 H SER 18 H SER 18 3.776 21.638 0.269 124 HA SER 18 HA SER 18 6.539 21.360 -0.503 125 HB2 SER 18 2HB SER 18 6.682 21.227 2.170 126 HB3 SER 18 1HB SER 18 6.467 22.752 1.312 127 HG SER 18 HG SER 18 4.974 22.223 3.128 128 H GLN 19 H GLN 19 7.964 19.784 0.724 129 HA GLN 19 HA GLN 19 6.629 17.195 1.116 130 HB2 GLN 19 2HB GLN 19 8.577 16.099 -0.040 131 HB3 GLN 19 1HB GLN 19 7.509 17.021 -1.086 132 HG2 GLN 19 2HG GLN 19 9.310 18.921 -0.531 133 HG3 GLN 19 1HG GLN 19 10.331 17.493 -0.361 134 HE21 GLN 19 1HE2 GLN 19 11.485 17.291 -2.149 135 HE22 GLN 19 2HE2 GLN 19 10.880 17.412 -3.763 136 H SER 20 H SER 20 9.719 18.947 1.531 137 HA SER 20 HA SER 20 11.278 18.923 3.184 138 HB2 SER 20 2HB SER 20 8.851 19.228 4.414 139 HB3 SER 20 1HB SER 20 9.502 17.823 5.261 140 HG SER 20 HG SER 20 10.570 20.425 5.066 141 H LEU 21 H LEU 21 10.866 16.456 1.601 142 HA LEU 21 HA LEU 21 11.650 14.331 1.479 143 HB2 LEU 21 2HB LEU 21 13.250 15.521 3.681 144 HB3 LEU 21 1HB LEU 21 13.297 13.777 3.521 145 HG LEU 21 HG LEU 21 15.173 14.878 2.369 146 HD11 LEU 21 1HD1 LEU 21 14.484 13.910 -0.012 147 HD12 LEU 21 2HD1 LEU 21 13.195 13.193 0.955 148 HD13 LEU 21 3HD1 LEU 21 14.881 12.876 1.360 149 HD21 LEU 21 3HD2 LEU 21 12.968 16.199 0.808 150 HD22 LEU 21 1HD2 LEU 21 14.622 16.074 0.209 151 HD23 LEU 21 2HD2 LEU 21 14.287 16.958 1.696 152 H ILE 22 H ILE 22 11.775 12.172 2.744 153 HA ILE 22 HA ILE 22 10.784 10.571 4.033 154 HB ILE 22 HB ILE 22 9.540 12.769 5.694 155 HG12 ILE 22 2HG1 ILE 22 12.226 11.417 6.095 156 HG13 ILE 22 1HG1 ILE 22 11.998 13.080 5.530 157 HG21 ILE 22 1HG2 ILE 22 8.635 10.502 6.016 158 HG22 ILE 22 2HG2 ILE 22 9.468 11.100 7.449 159 HG23 ILE 22 3HG2 ILE 22 10.258 9.925 6.400 160 HD11 ILE 22 3HD1 ILE 22 12.121 13.697 7.653 161 HD12 ILE 22 1HD1 ILE 22 12.032 12.027 8.213 162 HD13 ILE 22 2HD1 ILE 22 10.550 12.933 7.897 163 H ASP 23 H ASP 23 8.828 9.444 4.073 164 HA ASP 23 HA ASP 23 6.792 8.809 3.301 165 HB2 ASP 23 2HB ASP 23 6.100 10.594 4.957 166 HB3 ASP 23 1HB ASP 23 5.962 11.700 3.594 167 H GLU 24 H GLU 24 7.993 8.525 1.245 168 HA GLU 24 HA GLU 24 7.149 10.409 -0.850 169 HB2 GLU 24 2HB GLU 24 8.858 9.134 -2.244 170 HB3 GLU 24 1HB GLU 24 9.493 10.128 -0.940 171 HG2 GLU 24 2HG GLU 24 10.067 8.292 0.354 172 HG3 GLU 24 1HG GLU 24 8.953 7.222 -0.495 173 H ASP 25 H ASP 25 5.343 8.466 0.330 174 HA ASP 25 HA ASP 25 3.791 6.920 -0.230 175 HB2 ASP 25 2HB ASP 25 4.422 7.897 -3.018 176 HB3 ASP 25 1HB ASP 25 2.979 7.006 -2.550 177 H ALA 26 H ALA 26 3.346 5.091 -2.075 178 HA ALA 26 HA ALA 26 5.811 3.479 -2.221 179 HB1 ALA 26 1HB ALA 26 4.766 1.634 -1.387 180 HB2 ALA 26 2HB ALA 26 3.183 2.116 -1.993 181 HB3 ALA 26 3HB ALA 26 3.841 2.878 -0.545 182 H VAL 27 H VAL 27 5.572 1.620 -3.846 183 HA VAL 27 HA VAL 27 4.115 2.577 -6.225 184 HB VAL 27 HB VAL 27 5.961 1.473 -7.574 185 HG11 VAL 27 1HG1 VAL 27 5.640 4.015 -6.759 186 HG12 VAL 27 2HG1 VAL 27 6.948 3.493 -7.822 187 HG13 VAL 27 3HG1 VAL 27 7.240 3.686 -6.094 188 HG21 VAL 27 3HG2 VAL 27 7.796 0.595 -6.620 189 HG22 VAL 27 1HG2 VAL 27 6.815 0.517 -5.157 190 HG23 VAL 27 2HG2 VAL 27 7.903 1.879 -5.417 191 H CYS 28 H CYS 28 2.482 1.260 -6.641 192 HA CYS 28 HA CYS 28 2.223 -1.352 -5.673 193 HB2 CYS 28 2HB CYS 28 0.274 -0.064 -6.210 194 HB3 CYS 28 1HB CYS 28 0.773 0.072 -7.902 195 H SER 29 H SER 29 2.235 -3.363 -6.721 196 HA SER 29 HA SER 29 4.115 -3.520 -8.970 197 HB2 SER 29 2HB SER 29 4.671 -4.730 -6.856 198 HB3 SER 29 1HB SER 29 3.234 -5.723 -7.093 199 HG SER 29 HG SER 29 5.569 -5.604 -8.684 200 H ILE 30 H ILE 30 0.845 -4.433 -7.988 201 HA ILE 30 HA ILE 30 0.335 -6.200 -10.151 202 HB ILE 30 HB ILE 30 -1.457 -4.700 -8.254 203 HG12 ILE 30 2HG1 ILE 30 -2.015 -7.394 -8.091 204 HG13 ILE 30 1HG1 ILE 30 -0.282 -7.387 -8.449 205 HG21 ILE 30 1HG2 ILE 30 -2.317 -6.454 -10.552 206 HG22 ILE 30 2HG2 ILE 30 -2.696 -4.746 -10.314 207 HG23 ILE 30 3HG2 ILE 30 -3.368 -5.961 -9.223 208 HD11 ILE 30 3HD1 ILE 30 -0.062 -7.205 -6.233 209 HD12 ILE 30 1HD1 ILE 30 -1.712 -6.624 -6.012 210 HD13 ILE 30 2HD1 ILE 30 -0.440 -5.503 -6.496 211 H CYS 31 H CYS 31 0.107 -2.719 -9.769 212 HA CYS 31 HA CYS 31 -0.562 -2.493 -12.613 213 HB2 CYS 31 2HB CYS 31 -2.326 -0.997 -12.256 214 HB3 CYS 31 1HB CYS 31 -2.546 -2.191 -10.973 215 H MET 32 H MET 32 -0.136 -0.286 -13.483 216 HA MET 32 HA MET 32 2.187 0.941 -12.134 217 HB2 MET 32 2HB MET 32 1.561 0.592 -15.068 218 HB3 MET 32 1HB MET 32 2.773 1.730 -14.498 219 HG2 MET 32 2HG MET 32 2.931 -1.106 -13.610 220 HG3 MET 32 1HG MET 32 3.432 -0.688 -15.247 221 HE1 MET 32 3HE MET 32 6.509 1.160 -15.105 222 HE2 MET 32 1HE MET 32 5.201 0.354 -15.974 223 HE3 MET 32 2HE MET 32 6.465 -0.600 -15.197 224 H ASP 33 H ASP 33 -0.096 1.864 -11.196 225 HA ASP 33 HA ASP 33 -1.389 3.693 -10.850 226 HB2 ASP 33 2HB ASP 33 1.133 4.642 -11.283 227 HB3 ASP 33 1HB ASP 33 0.220 5.524 -12.515 228 H GLY 34 H GLY 34 -2.036 2.044 -13.129 229 HA2 GLY 34 2HA GLY 34 -3.109 4.049 -15.014 230 HA3 GLY 34 1HA GLY 34 -2.854 2.342 -15.388 231 H GLU 35 H GLU 35 -4.345 3.594 -12.442 232 HA GLU 35 HA GLU 35 -6.699 1.981 -12.959 233 HB2 GLU 35 2HB GLU 35 -6.136 3.753 -10.576 234 HB3 GLU 35 1HB GLU 35 -7.335 2.473 -10.683 235 HG2 GLU 35 2HG GLU 35 -4.452 1.822 -11.075 236 HG3 GLU 35 1HG GLU 35 -5.082 2.073 -9.448 237 H SER 36 H SER 36 -8.849 2.786 -12.922 238 HA SER 36 HA SER 36 -9.078 5.461 -14.070 239 HB2 SER 36 2HB SER 36 -11.210 3.332 -13.777 240 HB3 SER 36 1HB SER 36 -11.319 4.803 -14.742 241 HG SER 36 HG SER 36 -9.717 2.518 -15.177 242 H GLN 37 H GLN 37 -9.752 3.790 -11.110 243 HA GLN 37 HA GLN 37 -11.842 5.304 -10.059 244 HB2 GLN 37 2HB GLN 37 -9.664 3.628 -8.934 245 HB3 GLN 37 1HB GLN 37 -10.457 4.747 -7.820 246 HG2 GLN 37 2HG GLN 37 -12.552 3.720 -8.127 247 HG3 GLN 37 1HG GLN 37 -11.994 2.822 -9.538 248 HE21 GLN 37 1HE2 GLN 37 -10.765 3.284 -6.231 249 HE22 GLN 37 2HE2 GLN 37 -10.602 1.600 -5.878 250 H ASN 38 H ASN 38 -11.956 7.145 -8.783 251 HA ASN 38 HA ASN 38 -10.012 9.169 -9.312 252 HB2 ASN 38 2HB ASN 38 -12.362 9.200 -7.402 253 HB3 ASN 38 1HB ASN 38 -11.425 10.608 -7.888 254 HD21 ASN 38 1HD2 ASN 38 -14.273 9.245 -8.349 255 HD22 ASN 38 2HD2 ASN 38 -14.581 9.669 -9.994 256 H SER 39 H SER 39 -10.678 7.038 -6.599 257 HA SER 39 HA SER 39 -8.262 8.064 -5.270 258 HB2 SER 39 2HB SER 39 -10.262 8.907 -4.082 259 HB3 SER 39 1HB SER 39 -10.814 7.242 -3.859 260 HG SER 39 HG SER 39 -9.171 6.870 -2.471 261 H ASN 40 H ASN 40 -6.896 6.554 -4.443 262 HA ASN 40 HA ASN 40 -7.736 3.732 -4.515 263 HB2 ASN 40 2HB ASN 40 -5.422 3.182 -5.347 264 HB3 ASN 40 1HB ASN 40 -6.430 4.037 -6.507 265 HD21 ASN 40 1HD2 ASN 40 -3.738 4.323 -4.292 266 HD22 ASN 40 2HD2 ASN 40 -3.080 5.767 -4.977 267 H VAL 41 H VAL 41 -6.118 2.306 -3.300 268 HA VAL 41 HA VAL 41 -4.855 3.734 -1.066 269 HB VAL 41 HB VAL 41 -5.688 1.934 0.496 270 HG11 VAL 41 1HG1 VAL 41 -8.205 3.111 -0.049 271 HG12 VAL 41 2HG1 VAL 41 -6.960 4.299 -0.433 272 HG13 VAL 41 3HG1 VAL 41 -7.018 3.569 1.170 273 HG21 VAL 41 3HG2 VAL 41 -6.458 0.212 -0.872 274 HG22 VAL 41 1HG2 VAL 41 -7.379 1.309 -1.902 275 HG23 VAL 41 2HG2 VAL 41 -7.938 0.955 -0.268 276 H ILE 42 H ILE 42 -2.765 3.259 -1.386 277 HA ILE 42 HA ILE 42 -1.967 0.595 -2.251 278 HB ILE 42 HB ILE 42 -0.894 2.685 -3.168 279 HG12 ILE 42 2HG1 ILE 42 1.471 1.390 -2.138 280 HG13 ILE 42 1HG1 ILE 42 0.233 0.182 -2.509 281 HG21 ILE 42 1HG2 ILE 42 0.265 4.142 -1.919 282 HG22 ILE 42 2HG2 ILE 42 0.958 2.880 -0.901 283 HG23 ILE 42 3HG2 ILE 42 -0.672 3.472 -0.584 284 HD11 ILE 42 3HD1 ILE 42 1.708 2.015 -4.316 285 HD12 ILE 42 1HD1 ILE 42 0.061 1.561 -4.747 286 HD13 ILE 42 2HD1 ILE 42 1.285 0.314 -4.517 287 H LEU 43 H LEU 43 -0.595 -0.784 -1.043 288 HA LEU 43 HA LEU 43 -0.532 -0.202 1.845 289 HB2 LEU 43 2HB LEU 43 -0.801 -2.886 0.491 290 HB3 LEU 43 1HB LEU 43 -0.714 -2.621 2.221 291 HG LEU 43 HG LEU 43 -2.894 -1.335 0.621 292 HD11 LEU 43 1HD1 LEU 43 -3.538 -3.381 -0.041 293 HD12 LEU 43 2HD1 LEU 43 -4.125 -3.520 1.614 294 HD13 LEU 43 3HD1 LEU 43 -2.559 -4.203 1.174 295 HD21 LEU 43 3HD2 LEU 43 -2.376 -0.781 3.040 296 HD22 LEU 43 1HD2 LEU 43 -2.937 -2.408 3.426 297 HD23 LEU 43 2HD2 LEU 43 -4.036 -1.250 2.673 298 H PHE 44 H PHE 44 1.267 -0.993 3.041 299 HA PHE 44 HA PHE 44 3.596 -1.815 1.443 300 HB2 PHE 44 2HB PHE 44 3.316 0.740 2.405 301 HB3 PHE 44 1HB PHE 44 4.207 -0.036 3.710 302 HD1 PHE 44 1HD PHE 44 4.329 -0.314 -0.010 303 HD2 PHE 44 2HD PHE 44 6.430 0.514 3.600 304 HE1 PHE 44 1HE PHE 44 6.423 -0.046 -1.285 305 HE2 PHE 44 2HE PHE 44 8.521 0.783 2.331 306 HZ PHE 44 HZ PHE 44 8.518 0.503 -0.115 307 H CYS 45 H CYS 45 4.758 -3.476 2.340 308 HA CYS 45 HA CYS 45 3.695 -4.797 4.605 309 HB2 CYS 45 2HB CYS 45 5.084 -5.812 2.690 310 HB3 CYS 45 1HB CYS 45 6.496 -5.272 3.611 311 H ASP 46 H ASP 46 4.512 -5.095 6.693 312 HA ASP 46 HA ASP 46 5.798 -2.750 7.768 313 HB2 ASP 46 2HB ASP 46 4.389 -5.114 8.912 314 HB3 ASP 46 1HB ASP 46 5.490 -4.208 9.958 315 H MET 47 H MET 47 6.928 -5.788 6.671 316 HA MET 47 HA MET 47 9.505 -5.241 7.978 317 HB2 MET 47 2HB MET 47 8.004 -7.345 8.765 318 HB3 MET 47 1HB MET 47 8.850 -8.084 7.406 319 HG2 MET 47 2HG MET 47 10.971 -7.091 8.541 320 HG3 MET 47 1HG MET 47 9.946 -7.023 9.973 321 HE1 MET 47 3HE MET 47 12.732 -9.158 8.757 322 HE2 MET 47 1HE MET 47 12.463 -10.162 10.181 323 HE3 MET 47 2HE MET 47 12.416 -8.404 10.321 324 H CYS 48 H CYS 48 8.025 -4.960 5.246 325 HA CYS 48 HA CYS 48 10.326 -5.659 3.629 326 HB2 CYS 48 2HB CYS 48 7.540 -6.586 2.901 327 HB3 CYS 48 1HB CYS 48 9.033 -6.909 2.033 328 H ASN 49 H ASN 49 9.434 -5.129 1.166 329 HA ASN 49 HA ASN 49 8.438 -2.368 1.310 330 HB2 ASN 49 2HB ASN 49 10.621 -3.636 -0.206 331 HB3 ASN 49 1HB ASN 49 9.586 -2.575 -1.171 332 HD21 ASN 49 1HD2 ASN 49 11.741 -1.463 -1.289 333 HD22 ASN 49 2HD2 ASN 49 12.075 -0.272 -0.082 334 H LEU 50 H LEU 50 7.211 -5.290 0.743 335 HA LEU 50 HA LEU 50 6.125 -5.328 -1.800 336 HB2 LEU 50 2HB LEU 50 5.968 -7.212 -0.250 337 HB3 LEU 50 1HB LEU 50 4.867 -6.291 0.775 338 HG LEU 50 HG LEU 50 3.381 -6.197 -1.377 339 HD11 LEU 50 1HD1 LEU 50 4.657 -8.823 -1.971 340 HD12 LEU 50 2HD1 LEU 50 5.361 -7.351 -2.639 341 HD13 LEU 50 3HD1 LEU 50 3.690 -7.775 -3.008 342 HD21 LEU 50 3HD2 LEU 50 3.067 -7.458 0.853 343 HD22 LEU 50 1HD2 LEU 50 3.561 -8.882 -0.064 344 HD23 LEU 50 2HD2 LEU 50 2.133 -7.971 -0.552 345 H ALA 51 H ALA 51 5.363 -3.461 -2.629 346 HA ALA 51 HA ALA 51 3.253 -2.060 -1.155 347 HB1 ALA 51 1HB ALA 51 4.072 -0.650 -3.508 348 HB2 ALA 51 2HB ALA 51 5.491 -1.115 -2.572 349 HB3 ALA 51 3HB ALA 51 4.208 -0.169 -1.819 350 H VAL 52 H VAL 52 1.294 -2.853 -1.692 351 HA VAL 52 HA VAL 52 0.533 -2.834 -4.514 352 HB VAL 52 HB VAL 52 -0.647 -5.048 -4.250 353 HG11 VAL 52 1HG1 VAL 52 1.408 -6.400 -4.618 354 HG12 VAL 52 2HG1 VAL 52 2.365 -4.996 -4.147 355 HG13 VAL 52 3HG1 VAL 52 1.343 -4.926 -5.582 356 HG21 VAL 52 3HG2 VAL 52 -0.457 -6.346 -2.424 357 HG22 VAL 52 1HG2 VAL 52 -0.051 -4.835 -1.614 358 HG23 VAL 52 2HG2 VAL 52 1.231 -5.912 -2.160 359 H HIS 53 H HIS 53 -1.531 -2.093 -4.826 360 HA HIS 53 HA HIS 53 -2.980 -0.991 -2.665 361 HB2 HIS 53 2HB HIS 53 -4.081 -1.727 -5.393 362 HB3 HIS 53 1HB HIS 53 -4.799 -0.603 -4.252 363 HD2 HIS 53 2HD HIS 53 -3.203 1.797 -3.867 364 HE1 HIS 53 1HE HIS 53 -1.468 1.376 -7.704 365 HE2 HIS 53 2HE HIS 53 -1.722 2.897 -5.689 366 H GLN 54 H GLN 54 -4.836 -1.712 -1.565 367 HA GLN 54 HA GLN 54 -5.024 -4.498 -1.122 368 HB2 GLN 54 2HB GLN 54 -6.920 -4.003 0.306 369 HB3 GLN 54 1HB GLN 54 -5.641 -2.835 0.583 370 HG2 GLN 54 2HG GLN 54 -7.181 -1.260 0.365 371 HG3 GLN 54 1HG GLN 54 -7.213 -1.645 -1.363 372 HE21 GLN 54 1HE2 GLN 54 -8.436 -3.317 1.531 373 HE22 GLN 54 2HE2 GLN 54 -10.067 -3.441 0.979 374 H GLU 55 H GLU 55 -6.410 -2.502 -3.525 375 HA GLU 55 HA GLU 55 -8.595 -4.335 -4.119 376 HB2 GLU 55 2HB GLU 55 -8.747 -1.779 -4.295 377 HB3 GLU 55 1HB GLU 55 -7.757 -1.934 -5.740 378 HG2 GLU 55 2HG GLU 55 -9.651 -2.171 -6.862 379 HG3 GLU 55 1HG GLU 55 -9.763 -3.776 -6.146 380 H CYS 56 H CYS 56 -5.396 -3.528 -5.082 381 HA CYS 56 HA CYS 56 -5.419 -4.837 -7.624 382 HB2 CYS 56 2HB CYS 56 -3.667 -3.147 -6.072 383 HB3 CYS 56 1HB CYS 56 -2.790 -4.514 -6.693 384 H TYR 57 H TYR 57 -4.235 -5.545 -4.357 385 HA TYR 57 HA TYR 57 -3.165 -8.095 -5.115 386 HB2 TYR 57 2HB TYR 57 -2.377 -6.553 -3.193 387 HB3 TYR 57 1HB TYR 57 -3.707 -7.256 -2.281 388 HD1 TYR 57 2HD TYR 57 -0.476 -7.948 -3.899 389 HD2 TYR 57 1HD TYR 57 -3.595 -9.519 -1.468 390 HE1 TYR 57 2HE TYR 57 0.958 -9.852 -3.300 391 HE2 TYR 57 1HE TYR 57 -2.169 -11.428 -0.862 392 HH TYR 57 HH TYR 57 1.018 -11.509 -1.164 393 H GLY 58 H GLY 58 -6.196 -6.906 -3.868 394 HA2 GLY 58 2HA GLY 58 -8.234 -8.088 -4.013 395 HA3 GLY 58 1HA GLY 58 -7.322 -9.600 -4.110 396 H VAL 59 H VAL 59 -6.851 -7.056 -1.709 397 HA VAL 59 HA VAL 59 -7.103 -8.951 0.433 398 HB VAL 59 HB VAL 59 -6.844 -5.946 0.637 399 HG11 VAL 59 1HG1 VAL 59 -6.318 -6.219 2.864 400 HG12 VAL 59 2HG1 VAL 59 -5.842 -7.904 2.656 401 HG13 VAL 59 3HG1 VAL 59 -7.548 -7.462 2.639 402 HG21 VAL 59 3HG2 VAL 59 -4.573 -6.080 0.426 403 HG22 VAL 59 1HG2 VAL 59 -5.037 -7.392 -0.657 404 HG23 VAL 59 2HG2 VAL 59 -4.506 -7.750 0.986 405 HA PRO 60 HA PRO 60 -11.535 -8.360 0.749 406 HB2 PRO 60 2HB PRO 60 -11.895 -9.968 2.927 407 HB3 PRO 60 1HB PRO 60 -11.714 -10.579 1.275 408 HG2 PRO 60 2HG PRO 60 -9.681 -10.392 3.462 409 HG3 PRO 60 1HG PRO 60 -9.965 -11.703 2.302 410 HD2 PRO 60 2HD PRO 60 -7.961 -9.911 2.006 411 HD3 PRO 60 1HD PRO 60 -8.797 -10.643 0.623 412 H TYR 61 H TYR 61 -9.525 -8.278 3.715 413 HA TYR 61 HA TYR 61 -11.063 -5.917 4.562 414 HB2 TYR 61 2HB TYR 61 -11.682 -8.045 5.816 415 HB3 TYR 61 1HB TYR 61 -10.050 -8.005 6.495 416 HD1 TYR 61 1HD TYR 61 -13.154 -5.962 6.183 417 HD2 TYR 61 2HD TYR 61 -9.621 -6.748 8.421 418 HE1 TYR 61 1HE TYR 61 -13.932 -4.427 7.939 419 HE2 TYR 61 2HE TYR 61 -10.390 -5.218 10.184 420 HH TYR 61 HH TYR 61 -12.613 -4.307 11.006 421 H ILE 62 H ILE 62 -9.912 -4.417 5.903 422 HA ILE 62 HA ILE 62 -7.000 -4.562 5.506 423 HB ILE 62 HB ILE 62 -8.657 -2.100 6.071 424 HG12 ILE 62 2HG1 ILE 62 -7.514 -3.075 3.442 425 HG13 ILE 62 1HG1 ILE 62 -9.218 -3.120 3.884 426 HG21 ILE 62 1HG2 ILE 62 -5.761 -2.603 5.585 427 HG22 ILE 62 2HG2 ILE 62 -6.540 -1.501 6.721 428 HG23 ILE 62 3HG2 ILE 62 -6.474 -1.098 5.005 429 HD11 ILE 62 3HD1 ILE 62 -8.613 -0.494 4.271 430 HD12 ILE 62 1HD1 ILE 62 -9.330 -1.172 2.809 431 HD13 ILE 62 2HD1 ILE 62 -7.588 -0.912 2.898 432 HA PRO 63 HA PRO 63 -7.202 -5.443 10.011 433 HB2 PRO 63 2HB PRO 63 -4.300 -5.776 9.425 434 HB3 PRO 63 1HB PRO 63 -5.402 -6.837 10.326 435 HG2 PRO 63 2HG PRO 63 -4.608 -7.473 7.865 436 HG3 PRO 63 1HG PRO 63 -6.274 -7.779 8.393 437 HD2 PRO 63 2HD PRO 63 -5.211 -5.619 6.622 438 HD3 PRO 63 1HD PRO 63 -6.733 -6.523 6.515 439 H GLU 64 H GLU 64 -6.434 -4.318 11.828 440 HA GLU 64 HA GLU 64 -5.175 -1.730 11.223 441 HB2 GLU 64 2HB GLU 64 -6.160 -0.972 13.382 442 HB3 GLU 64 1HB GLU 64 -7.358 -1.458 12.192 443 HG2 GLU 64 2HG GLU 64 -6.492 -3.575 14.043 444 HG3 GLU 64 1HG GLU 64 -7.358 -2.230 14.782 445 H GLY 65 H GLY 65 -3.565 -4.091 11.523 446 HA2 GLY 65 2HA GLY 65 -1.998 -3.269 13.880 447 HA3 GLY 65 1HA GLY 65 -2.341 -4.972 13.610 448 H GLN 66 H GLN 66 -0.521 -5.937 12.972 449 HA GLN 66 HA GLN 66 1.374 -4.503 11.281 450 HB2 GLN 66 2HB GLN 66 1.504 -6.763 13.148 451 HB3 GLN 66 1HB GLN 66 2.431 -7.015 11.677 452 HG2 GLN 66 2HG GLN 66 4.057 -5.964 12.782 453 HG3 GLN 66 1HG GLN 66 3.190 -4.497 12.334 454 HE21 GLN 66 1HE2 GLN 66 1.936 -3.436 13.884 455 HE22 GLN 66 2HE2 GLN 66 2.119 -3.744 15.573 456 H TRP 67 H TRP 67 1.964 -5.108 9.229 457 HA TRP 67 HA TRP 67 0.291 -7.182 7.975 458 HB2 TRP 67 2HB TRP 67 -0.018 -4.742 7.234 459 HB3 TRP 67 1HB TRP 67 1.565 -4.894 6.478 460 HD1 TRP 67 HD TRP 67 -1.175 -7.615 6.452 461 HE1 TRP 67 1HE TRP 67 -1.814 -8.094 4.012 462 HE3 TRP 67 3HE TRP 67 1.618 -3.999 4.154 463 HZ2 TRP 67 2HZ TRP 67 -1.223 -7.073 1.444 464 HZ3 TRP 67 3HZ TRP 67 1.524 -3.818 1.703 465 HH2 TRP 67 HH TRP 67 0.132 -5.323 0.378 466 H LEU 68 H LEU 68 1.451 -8.972 7.730 467 HA LEU 68 HA LEU 68 4.230 -8.733 6.763 468 HB2 LEU 68 2HB LEU 68 2.963 -10.832 8.525 469 HB3 LEU 68 1HB LEU 68 4.489 -11.087 7.707 470 HG LEU 68 HG LEU 68 4.626 -10.430 10.140 471 HD11 LEU 68 1HD1 LEU 68 6.522 -8.904 9.784 472 HD12 LEU 68 2HD1 LEU 68 6.027 -8.713 8.101 473 HD13 LEU 68 3HD1 LEU 68 6.550 -10.290 8.694 474 HD21 LEU 68 3HD2 LEU 68 4.180 -8.274 10.866 475 HD22 LEU 68 1HD2 LEU 68 2.808 -8.630 9.816 476 HD23 LEU 68 2HD2 LEU 68 4.131 -7.623 9.227 477 H CYS 69 H CYS 69 4.272 -9.168 4.642 478 HA CYS 69 HA CYS 69 2.280 -10.553 3.232 479 HB2 CYS 69 2HB CYS 69 3.778 -10.467 1.319 480 HB3 CYS 69 1HB CYS 69 3.839 -8.930 2.187 481 H ARG 70 H ARG 70 2.612 -12.570 1.977 482 HA ARG 70 HA ARG 70 2.930 -14.765 3.579 483 HB2 ARG 70 2HB ARG 70 3.067 -14.413 0.614 484 HB3 ARG 70 1HB ARG 70 3.371 -15.992 1.325 485 HG2 ARG 70 2HG ARG 70 0.926 -14.554 2.185 486 HG3 ARG 70 1HG ARG 70 0.958 -15.226 0.554 487 HD2 ARG 70 2HD ARG 70 0.782 -17.330 1.299 488 HD3 ARG 70 1HD ARG 70 1.961 -17.070 2.582 489 HE ARG 70 HE ARG 70 0.237 -16.732 4.040 490 HH11 ARG 70 1HH1 ARG 70 -1.006 -16.393 0.780 491 HH12 ARG 70 2HH1 ARG 70 -2.658 -16.286 1.288 492 HH21 ARG 70 1HH2 ARG 70 -1.944 -16.587 4.703 493 HH22 ARG 70 2HH2 ARG 70 -3.190 -16.397 3.516 494 H HIS 71 H HIS 71 5.535 -13.026 1.975 495 HA HIS 71 HA HIS 71 7.411 -15.180 2.140 496 HB2 HIS 71 2HB HIS 71 7.892 -12.213 1.788 497 HB3 HIS 71 1HB HIS 71 9.095 -13.478 1.567 498 HD1 HIS 71 1HD HIS 71 8.104 -11.460 -0.677 499 HD2 HIS 71 2HD HIS 71 6.873 -15.403 -0.203 500 HE1 HIS 71 1HE HIS 71 7.283 -12.188 -2.941 501 HE2 HIS 71 2HE HIS 71 6.614 -14.599 -2.646 502 H CYS 72 H CYS 72 6.830 -12.247 4.056 503 HA CYS 72 HA CYS 72 8.886 -12.984 5.933 504 HB2 CYS 72 2HB CYS 72 8.198 -10.969 7.136 505 HB3 CYS 72 1HB CYS 72 8.552 -10.666 5.427 506 H LEU 73 H LEU 73 5.321 -12.823 5.985 507 HA LEU 73 HA LEU 73 4.993 -13.602 8.656 508 HB2 LEU 73 2HB LEU 73 2.742 -14.069 8.158 509 HB3 LEU 73 1HB LEU 73 3.197 -12.749 7.102 510 HG LEU 73 HG LEU 73 3.599 -14.600 5.329 511 HD11 LEU 73 1HD1 LEU 73 2.290 -16.089 7.521 512 HD12 LEU 73 2HD1 LEU 73 3.400 -16.648 6.270 513 HD13 LEU 73 3HD1 LEU 73 1.698 -16.394 5.889 514 HD21 LEU 73 3HD2 LEU 73 1.051 -13.425 6.295 515 HD22 LEU 73 1HD2 LEU 73 0.962 -14.673 5.054 516 HD23 LEU 73 2HD2 LEU 73 1.890 -13.204 4.762 517 H GLN 74 H GLN 74 5.923 -15.393 5.841 518 HA GLN 74 HA GLN 74 5.373 -17.987 6.999 519 HB2 GLN 74 2HB GLN 74 5.317 -17.677 4.566 520 HB3 GLN 74 1HB GLN 74 7.015 -17.219 4.576 521 HG2 GLN 74 2HG GLN 74 7.737 -19.355 4.842 522 HG3 GLN 74 1HG GLN 74 6.302 -19.846 5.743 523 HE21 GLN 74 1HE2 GLN 74 4.231 -19.530 4.270 524 HE22 GLN 74 2HE2 GLN 74 4.353 -20.305 2.731 525 H SER 75 H SER 75 8.186 -15.896 6.486 526 HA SER 75 HA SER 75 10.213 -17.604 7.355 527 HB2 SER 75 2HB SER 75 10.685 -15.440 6.299 528 HB3 SER 75 1HB SER 75 10.008 -14.596 7.691 529 HG SER 75 HG SER 75 12.240 -16.351 7.819 530 H ARG 76 H ARG 76 8.061 -15.485 9.205 531 HA ARG 76 HA ARG 76 9.288 -16.187 11.726 532 HB2 ARG 76 2HB ARG 76 8.349 -13.937 11.344 533 HB3 ARG 76 1HB ARG 76 6.750 -14.643 11.167 534 HG2 ARG 76 2HG ARG 76 7.355 -15.619 13.572 535 HG3 ARG 76 1HG ARG 76 8.360 -14.169 13.602 536 HD2 ARG 76 2HD ARG 76 6.310 -12.878 12.902 537 HD3 ARG 76 1HD ARG 76 5.381 -14.346 13.200 538 HE ARG 76 HE ARG 76 6.764 -13.935 15.517 539 HH11 ARG 76 1HH1 ARG 76 4.552 -12.007 13.606 540 HH12 ARG 76 2HH1 ARG 76 3.945 -11.129 14.967 541 HH21 ARG 76 1HH2 ARG 76 5.956 -12.775 17.310 542 HH22 ARG 76 2HH2 ARG 76 4.742 -11.564 17.069 543 H ALA 77 H ALA 77 6.437 -17.130 9.878 544 HA ALA 77 HA ALA 77 5.087 -18.516 11.938 545 HB1 ALA 77 1HB ALA 77 3.908 -19.677 10.070 546 HB2 ALA 77 2HB ALA 77 4.990 -18.855 8.945 547 HB3 ALA 77 3HB ALA 77 3.890 -17.917 9.955 548 H ARG 78 H ARG 78 7.744 -19.413 9.839 549 HA ARG 78 HA ARG 78 7.638 -22.184 10.011 550 HB2 ARG 78 2HB ARG 78 9.810 -20.201 9.541 551 HB3 ARG 78 1HB ARG 78 10.281 -21.854 9.914 552 HG2 ARG 78 2HG ARG 78 8.397 -22.289 8.024 553 HG3 ARG 78 1HG ARG 78 9.050 -20.737 7.495 554 HD2 ARG 78 2HD ARG 78 10.347 -22.364 6.400 555 HD3 ARG 78 1HD ARG 78 11.348 -21.790 7.730 556 HE ARG 78 HE ARG 78 10.026 -24.397 7.536 557 HH11 ARG 78 1HH1 ARG 78 12.166 -22.240 9.296 558 HH12 ARG 78 2HH1 ARG 78 12.780 -23.491 10.320 559 HH21 ARG 78 1HH2 ARG 78 10.846 -26.034 8.898 560 HH22 ARG 78 2HH2 ARG 78 12.034 -25.640 10.095 561 HA PRO 79 HA PRO 79 10.420 -22.112 13.962 562 HB2 PRO 79 2HB PRO 79 10.790 -19.718 15.208 563 HB3 PRO 79 1HB PRO 79 11.887 -20.348 13.974 564 HG2 PRO 79 2HG PRO 79 9.679 -18.344 13.701 565 HG3 PRO 79 1HG PRO 79 11.313 -18.307 13.012 566 HD2 PRO 79 2HD PRO 79 9.163 -19.040 11.561 567 HD3 PRO 79 1HD PRO 79 10.762 -19.769 11.309 568 H ALA 80 H ALA 80 9.775 -22.339 16.139 569 HA ALA 80 HA ALA 80 7.260 -21.068 16.944 570 HB1 ALA 80 1HB ALA 80 6.112 -23.026 17.345 571 HB2 ALA 80 2HB ALA 80 7.584 -23.994 17.448 572 HB3 ALA 80 3HB ALA 80 7.001 -23.439 15.878 Start of MODEL 8 1 H1 ALA 1 1HT ALA 1 -2.852 -2.677 8.849 2 H2 ALA 1 2HT ALA 1 -1.428 -2.266 9.717 3 H3 ALA 1 3HT ALA 1 -1.709 -3.893 9.246 4 HA ALA 1 HA ALA 1 -0.085 -2.882 7.859 5 HB1 ALA 1 2HB ALA 1 -2.708 -3.302 6.425 6 HB2 ALA 1 3HB ALA 1 -1.596 -4.576 6.924 7 HB3 ALA 1 1HB ALA 1 -1.097 -3.397 5.711 8 H ARG 2 H ARG 2 0.756 -1.011 7.240 9 HA ARG 2 HA ARG 2 -0.657 1.429 7.397 10 HB2 ARG 2 2HB ARG 2 2.064 0.565 6.653 11 HB3 ARG 2 1HB ARG 2 1.535 2.080 5.935 12 HG2 ARG 2 2HG ARG 2 1.147 3.045 8.091 13 HG3 ARG 2 1HG ARG 2 1.432 1.497 8.888 14 HD2 ARG 2 2HD ARG 2 3.423 3.239 7.459 15 HD3 ARG 2 1HD ARG 2 3.400 2.791 9.161 16 HE ARG 2 HE ARG 2 4.215 0.670 8.602 17 HH11 ARG 2 1HH1 ARG 2 3.782 2.665 5.745 18 HH12 ARG 2 2HH1 ARG 2 4.755 1.647 4.741 19 HH21 ARG 2 1HH2 ARG 2 5.482 -0.665 7.264 20 HH22 ARG 2 2HH2 ARG 2 5.712 -0.248 5.600 21 H THR 3 H THR 3 -2.026 2.292 6.001 22 HA THR 3 HA THR 3 -1.787 1.585 3.151 23 HB THR 3 HB THR 3 -4.394 2.432 4.371 24 HG1 THR 3 1HG THR 3 -3.845 0.705 5.654 25 HG21 THR 3 3HG2 THR 3 -3.600 0.800 1.992 26 HG22 THR 3 1HG2 THR 3 -4.555 2.280 2.053 27 HG23 THR 3 2HG2 THR 3 -5.234 0.766 2.657 28 H LYS 4 H LYS 4 -1.885 3.204 1.654 29 HA LYS 4 HA LYS 4 -2.114 5.954 2.696 30 HB2 LYS 4 2HB LYS 4 0.127 4.907 1.588 31 HB3 LYS 4 1HB LYS 4 -0.667 5.526 0.145 32 HG2 LYS 4 2HG LYS 4 -0.883 7.730 1.392 33 HG3 LYS 4 1HG LYS 4 0.239 7.049 2.571 34 HD2 LYS 4 2HD LYS 4 1.103 6.773 -0.222 35 HD3 LYS 4 1HD LYS 4 0.965 8.442 0.336 36 HE2 LYS 4 2HE LYS 4 2.235 7.253 2.439 37 HE3 LYS 4 1HE LYS 4 2.894 6.357 1.072 38 HZ1 LYS 4 3HZ LYS 4 4.335 8.095 1.135 39 HZ2 LYS 4 1HZ LYS 4 3.204 9.183 1.768 40 HZ3 LYS 4 2HZ LYS 4 3.168 8.788 0.125 41 H GLN 5 H GLN 5 -3.680 7.183 1.866 42 HA GLN 5 HA GLN 5 -5.092 6.205 -0.525 43 HB2 GLN 5 2HB GLN 5 -6.282 6.470 1.761 44 HB3 GLN 5 1HB GLN 5 -6.223 8.195 1.426 45 HG2 GLN 5 2HG GLN 5 -7.263 7.296 -0.891 46 HG3 GLN 5 1HG GLN 5 -7.882 6.081 0.226 47 HE21 GLN 5 1HE2 GLN 5 -9.434 7.971 -1.226 48 HE22 GLN 5 2HE2 GLN 5 -10.228 8.988 -0.077 49 H THR 6 H THR 6 -4.487 7.238 -2.296 50 HA THR 6 HA THR 6 -4.057 10.149 -2.151 51 HB THR 6 HB THR 6 -2.376 9.987 -3.843 52 HG1 THR 6 1HG THR 6 -3.428 7.437 -4.217 53 HG21 THR 6 3HG2 THR 6 -0.661 8.677 -2.853 54 HG22 THR 6 1HG2 THR 6 -1.838 7.656 -2.027 55 HG23 THR 6 2HG2 THR 6 -1.647 9.344 -1.551 56 H ALA 7 H ALA 7 -5.184 11.418 -3.510 57 HA ALA 7 HA ALA 7 -6.924 10.089 -5.484 58 HB1 ALA 7 1HB ALA 7 -8.146 12.466 -5.085 59 HB2 ALA 7 2HB ALA 7 -7.430 12.199 -3.495 60 HB3 ALA 7 3HB ALA 7 -8.522 10.997 -4.185 61 H ARG 8 H ARG 8 -7.155 10.975 -7.536 62 HA ARG 8 HA ARG 8 -5.412 13.250 -8.200 63 HB2 ARG 8 2HB ARG 8 -5.050 10.536 -9.009 64 HB3 ARG 8 1HB ARG 8 -5.487 11.477 -10.428 65 HG2 ARG 8 2HG ARG 8 -3.545 12.617 -10.443 66 HG3 ARG 8 1HG ARG 8 -3.447 12.687 -8.683 67 HD2 ARG 8 2HD ARG 8 -3.152 9.974 -9.436 68 HD3 ARG 8 1HD ARG 8 -2.111 10.925 -10.493 69 HE ARG 8 HE ARG 8 -0.774 11.418 -8.696 70 HH11 ARG 8 1HH1 ARG 8 -3.786 10.066 -7.522 71 HH12 ARG 8 2HH1 ARG 8 -3.219 9.894 -5.897 72 HH21 ARG 8 1HH2 ARG 8 -0.037 11.197 -6.546 73 HH22 ARG 8 2HH2 ARG 8 -1.092 10.539 -5.341 74 H LYS 9 H LYS 9 -6.168 14.662 -9.717 75 HA LYS 9 HA LYS 9 -7.606 15.761 -11.079 76 HB2 LYS 9 2HB LYS 9 -7.426 13.614 -12.402 77 HB3 LYS 9 1HB LYS 9 -8.924 13.104 -11.636 78 HG2 LYS 9 2HG LYS 9 -9.267 14.034 -13.883 79 HG3 LYS 9 1HG LYS 9 -10.117 14.946 -12.634 80 HD2 LYS 9 2HD LYS 9 -8.934 16.812 -13.037 81 HD3 LYS 9 1HD LYS 9 -7.414 15.928 -13.168 82 HE2 LYS 9 2HE LYS 9 -9.231 15.439 -15.398 83 HE3 LYS 9 1HE LYS 9 -8.770 17.132 -15.238 84 HZ1 LYS 9 3HZ LYS 9 -7.047 16.400 -16.488 85 HZ2 LYS 9 1HZ LYS 9 -7.123 14.813 -15.903 86 HZ3 LYS 9 2HZ LYS 9 -6.399 16.025 -14.971 87 H SER 10 H SER 10 -8.801 17.062 -9.822 88 HA SER 10 HA SER 10 -11.496 16.270 -9.187 89 HB2 SER 10 2HB SER 10 -10.013 15.510 -7.221 90 HB3 SER 10 1HB SER 10 -9.833 17.227 -6.861 91 HG SER 10 HG SER 10 -11.903 17.352 -6.303 92 H THR 11 H THR 11 -12.868 17.973 -9.186 93 HA THR 11 HA THR 11 -11.810 20.558 -9.915 94 HB THR 11 HB THR 11 -14.703 19.866 -9.388 95 HG1 THR 11 1HG THR 11 -13.214 19.507 -11.778 96 HG21 THR 11 3HG2 THR 11 -13.307 22.072 -10.798 97 HG22 THR 11 1HG2 THR 11 -14.749 22.104 -9.786 98 HG23 THR 11 2HG2 THR 11 -14.848 21.498 -11.439 99 H GLY 12 H GLY 12 -13.570 19.154 -7.175 100 HA2 GLY 12 2HA GLY 12 -13.544 21.672 -5.725 101 HA3 GLY 12 1HA GLY 12 -14.235 20.154 -5.174 102 H GLY 13 H GLY 13 -11.706 22.313 -4.793 103 HA2 GLY 13 2HA GLY 13 -10.077 22.241 -3.122 104 HA3 GLY 13 1HA GLY 13 -10.390 20.525 -2.922 105 H SER 14 H SER 14 -7.811 21.614 -2.957 106 HA SER 14 HA SER 14 -6.677 20.121 -5.172 107 HB2 SER 14 2HB SER 14 -6.972 22.468 -6.019 108 HB3 SER 14 1HB SER 14 -5.871 23.008 -4.752 109 HG SER 14 HG SER 14 -4.220 22.153 -5.797 110 H SER 15 H SER 15 -4.375 19.716 -4.923 111 HA SER 15 HA SER 15 -3.659 19.158 -2.234 112 HB2 SER 15 2HB SER 15 -1.565 18.304 -3.166 113 HB3 SER 15 1HB SER 15 -2.931 17.763 -4.141 114 HG SER 15 HG SER 15 -2.103 18.776 -5.777 115 H GLY 16 H GLY 16 -1.747 19.914 -1.092 116 HA2 GLY 16 2HA GLY 16 -1.262 22.774 -1.615 117 HA3 GLY 16 1HA GLY 16 -1.132 21.996 -0.046 118 H SER 17 H SER 17 0.464 22.689 -3.053 119 HA SER 17 HA SER 17 2.869 21.246 -2.207 120 HB2 SER 17 2HB SER 17 1.827 22.237 -4.805 121 HB3 SER 17 1HB SER 17 3.578 22.262 -4.596 122 HG SER 17 HG SER 17 3.574 20.079 -4.287 123 H SER 18 H SER 18 4.731 22.226 -1.629 124 HA SER 18 HA SER 18 5.416 24.909 -2.198 125 HB2 SER 18 2HB SER 18 3.786 24.463 0.187 126 HB3 SER 18 1HB SER 18 5.320 25.248 0.555 127 HG SER 18 HG SER 18 3.152 26.348 -0.460 128 H GLN 19 H GLN 19 5.753 22.361 0.270 129 HA GLN 19 HA GLN 19 8.680 22.682 0.104 130 HB2 GLN 19 2HB GLN 19 6.879 22.557 2.384 131 HB3 GLN 19 1HB GLN 19 8.126 21.323 2.479 132 HG2 GLN 19 2HG GLN 19 9.197 23.013 3.534 133 HG3 GLN 19 1HG GLN 19 9.694 23.358 1.879 134 HE21 GLN 19 1HE2 GLN 19 10.033 25.538 2.399 135 HE22 GLN 19 2HE2 GLN 19 8.714 26.634 2.616 136 H SER 20 H SER 20 9.638 20.475 1.221 137 HA SER 20 HA SER 20 8.512 18.271 -0.378 138 HB2 SER 20 2HB SER 20 10.872 17.339 -0.287 139 HB3 SER 20 1HB SER 20 10.672 18.810 -1.239 140 HG SER 20 HG SER 20 11.653 18.642 1.423 141 H LEU 21 H LEU 21 7.605 16.690 0.759 142 HA LEU 21 HA LEU 21 8.175 16.437 3.608 143 HB2 LEU 21 2HB LEU 21 6.011 15.483 1.786 144 HB3 LEU 21 1HB LEU 21 6.301 14.595 3.267 145 HG LEU 21 HG LEU 21 4.511 16.179 3.604 146 HD11 LEU 21 1HD1 LEU 21 6.668 17.573 5.062 147 HD12 LEU 21 2HD1 LEU 21 6.556 15.828 5.291 148 HD13 LEU 21 3HD1 LEU 21 5.169 16.854 5.654 149 HD21 LEU 21 3HD2 LEU 21 4.971 18.626 3.471 150 HD22 LEU 21 1HD2 LEU 21 4.974 17.803 1.911 151 HD23 LEU 21 2HD2 LEU 21 6.499 18.246 2.677 152 H ILE 22 H ILE 22 8.379 14.215 4.537 153 HA ILE 22 HA ILE 22 10.101 12.552 2.820 154 HB ILE 22 HB ILE 22 11.257 13.548 4.753 155 HG12 ILE 22 2HG1 ILE 22 11.207 10.726 5.608 156 HG13 ILE 22 1HG1 ILE 22 11.443 10.969 3.870 157 HG21 ILE 22 1HG2 ILE 22 10.475 12.156 6.972 158 HG22 ILE 22 2HG2 ILE 22 8.938 12.525 6.192 159 HG23 ILE 22 3HG2 ILE 22 10.051 13.829 6.605 160 HD11 ILE 22 3HD1 ILE 22 13.128 12.788 5.238 161 HD12 ILE 22 1HD1 ILE 22 13.574 11.404 4.238 162 HD13 ILE 22 2HD1 ILE 22 13.328 11.197 5.972 163 H ASP 23 H ASP 23 7.469 12.114 2.440 164 HA ASP 23 HA ASP 23 6.743 9.787 4.084 165 HB2 ASP 23 2HB ASP 23 4.484 10.041 3.143 166 HB3 ASP 23 1HB ASP 23 5.029 11.513 3.935 167 H GLU 24 H GLU 24 7.742 10.684 0.899 168 HA GLU 24 HA GLU 24 7.867 9.590 -1.102 169 HB2 GLU 24 2HB GLU 24 9.138 7.401 -0.856 170 HB3 GLU 24 1HB GLU 24 9.885 8.837 -0.176 171 HG2 GLU 24 2HG GLU 24 9.226 8.185 2.044 172 HG3 GLU 24 1HG GLU 24 8.319 6.814 1.408 173 H ASP 25 H ASP 25 5.794 9.297 -1.842 174 HA ASP 25 HA ASP 25 3.908 7.432 -1.082 175 HB2 ASP 25 2HB ASP 25 4.506 8.751 -3.718 176 HB3 ASP 25 1HB ASP 25 3.178 7.604 -3.563 177 H ALA 26 H ALA 26 3.530 5.320 -1.434 178 HA ALA 26 HA ALA 26 5.662 3.632 -2.304 179 HB1 ALA 26 1HB ALA 26 4.495 2.515 -0.720 180 HB2 ALA 26 2HB ALA 26 3.602 1.924 -2.119 181 HB3 ALA 26 3HB ALA 26 2.962 3.260 -1.165 182 H VAL 27 H VAL 27 5.377 1.898 -3.943 183 HA VAL 27 HA VAL 27 3.781 2.812 -6.247 184 HB VAL 27 HB VAL 27 5.565 1.960 -7.744 185 HG11 VAL 27 1HG1 VAL 27 7.300 3.809 -6.864 186 HG12 VAL 27 2HG1 VAL 27 5.879 4.264 -5.924 187 HG13 VAL 27 3HG1 VAL 27 5.793 4.207 -7.686 188 HG21 VAL 27 3HG2 VAL 27 6.943 0.474 -6.737 189 HG22 VAL 27 1HG2 VAL 27 6.796 1.242 -5.156 190 HG23 VAL 27 2HG2 VAL 27 7.879 1.921 -6.369 191 H CYS 28 H CYS 28 2.226 1.387 -6.639 192 HA CYS 28 HA CYS 28 2.165 -1.237 -5.659 193 HB2 CYS 28 2HB CYS 28 0.112 -0.110 -6.102 194 HB3 CYS 28 1HB CYS 28 0.544 0.136 -7.799 195 H SER 29 H SER 29 2.238 -3.251 -6.731 196 HA SER 29 HA SER 29 4.060 -3.275 -9.033 197 HB2 SER 29 2HB SER 29 4.896 -5.316 -8.298 198 HB3 SER 29 1HB SER 29 4.525 -4.507 -6.776 199 HG SER 29 HG SER 29 2.501 -5.662 -6.814 200 H ILE 30 H ILE 30 0.869 -4.369 -7.990 201 HA ILE 30 HA ILE 30 0.415 -6.152 -10.153 202 HB ILE 30 HB ILE 30 -1.419 -4.752 -8.221 203 HG12 ILE 30 2HG1 ILE 30 -1.865 -7.453 -8.051 204 HG13 ILE 30 1HG1 ILE 30 -0.150 -7.399 -8.481 205 HG21 ILE 30 1HG2 ILE 30 -2.682 -4.838 -10.268 206 HG22 ILE 30 2HG2 ILE 30 -3.285 -6.087 -9.174 207 HG23 ILE 30 3HG2 ILE 30 -2.234 -6.528 -10.519 208 HD11 ILE 30 3HD1 ILE 30 -0.043 -7.371 -6.197 209 HD12 ILE 30 1HD1 ILE 30 -1.528 -6.438 -6.024 210 HD13 ILE 30 2HD1 ILE 30 -0.043 -5.643 -6.542 211 H CYS 31 H CYS 31 0.078 -2.694 -9.760 212 HA CYS 31 HA CYS 31 -0.630 -2.478 -12.589 213 HB2 CYS 31 2HB CYS 31 -2.470 -1.080 -12.224 214 HB3 CYS 31 1HB CYS 31 -2.636 -2.305 -10.961 215 H MET 32 H MET 32 -0.090 -0.441 -13.559 216 HA MET 32 HA MET 32 2.164 0.865 -12.212 217 HB2 MET 32 2HB MET 32 2.756 1.710 -14.452 218 HB3 MET 32 1HB MET 32 2.643 -0.042 -14.419 219 HG2 MET 32 2HG MET 32 0.578 -0.023 -15.571 220 HG3 MET 32 1HG MET 32 0.393 1.715 -15.352 221 HE1 MET 32 3HE MET 32 0.611 2.064 -18.896 222 HE2 MET 32 1HE MET 32 1.214 3.352 -17.852 223 HE3 MET 32 2HE MET 32 -0.148 2.359 -17.332 224 H ASP 33 H ASP 33 -0.488 1.518 -11.376 225 HA ASP 33 HA ASP 33 -1.836 3.281 -10.920 226 HB2 ASP 33 2HB ASP 33 0.724 4.209 -10.678 227 HB3 ASP 33 1HB ASP 33 0.046 5.353 -11.846 228 H GLY 34 H GLY 34 -1.806 2.161 -13.672 229 HA2 GLY 34 2HA GLY 34 -2.712 4.541 -15.169 230 HA3 GLY 34 1HA GLY 34 -2.132 3.047 -15.911 231 H GLU 35 H GLU 35 -4.371 3.246 -13.192 232 HA GLU 35 HA GLU 35 -6.404 1.943 -14.866 233 HB2 GLU 35 2HB GLU 35 -7.434 1.313 -12.632 234 HB3 GLU 35 1HB GLU 35 -5.892 0.557 -13.005 235 HG2 GLU 35 2HG GLU 35 -4.736 2.071 -11.537 236 HG3 GLU 35 1HG GLU 35 -6.217 2.981 -11.250 237 H SER 36 H SER 36 -8.417 2.805 -15.105 238 HA SER 36 HA SER 36 -8.732 5.590 -14.679 239 HB2 SER 36 2HB SER 36 -10.840 3.545 -15.423 240 HB3 SER 36 1HB SER 36 -10.970 5.292 -15.622 241 HG SER 36 HG SER 36 -9.199 5.171 -17.076 242 H GLN 37 H GLN 37 -8.594 6.073 -12.509 243 HA GLN 37 HA GLN 37 -11.010 5.635 -10.973 244 HB2 GLN 37 2HB GLN 37 -9.389 3.681 -10.551 245 HB3 GLN 37 1HB GLN 37 -8.392 4.861 -9.694 246 HG2 GLN 37 2HG GLN 37 -9.794 4.965 -7.933 247 HG3 GLN 37 1HG GLN 37 -11.237 4.755 -8.923 248 HE21 GLN 37 1HE2 GLN 37 -9.480 3.364 -6.566 249 HE22 GLN 37 2HE2 GLN 37 -9.871 1.703 -6.834 250 H ASN 38 H ASN 38 -11.023 6.917 -8.945 251 HA ASN 38 HA ASN 38 -9.584 9.431 -9.345 252 HB2 ASN 38 2HB ASN 38 -12.212 8.770 -8.473 253 HB3 ASN 38 1HB ASN 38 -11.396 9.575 -7.137 254 HD21 ASN 38 1HD2 ASN 38 -11.470 11.713 -7.131 255 HD22 ASN 38 2HD2 ASN 38 -11.761 12.719 -8.504 256 H SER 39 H SER 39 -10.252 7.088 -6.737 257 HA SER 39 HA SER 39 -7.787 8.000 -5.403 258 HB2 SER 39 2HB SER 39 -10.473 8.081 -4.393 259 HB3 SER 39 1HB SER 39 -9.530 6.937 -3.432 260 HG SER 39 HG SER 39 -8.022 8.577 -3.048 261 H ASN 40 H ASN 40 -6.663 6.407 -4.155 262 HA ASN 40 HA ASN 40 -7.478 3.622 -4.445 263 HB2 ASN 40 2HB ASN 40 -5.136 3.041 -5.266 264 HB3 ASN 40 1HB ASN 40 -6.202 3.808 -6.436 265 HD21 ASN 40 1HD2 ASN 40 -3.425 4.252 -4.363 266 HD22 ASN 40 2HD2 ASN 40 -2.831 5.674 -5.141 267 H VAL 41 H VAL 41 -6.278 2.156 -3.067 268 HA VAL 41 HA VAL 41 -4.865 3.529 -0.874 269 HB VAL 41 HB VAL 41 -5.723 1.730 0.647 270 HG11 VAL 41 1HG1 VAL 41 -6.965 3.491 1.202 271 HG12 VAL 41 2HG1 VAL 41 -8.245 2.746 0.243 272 HG13 VAL 41 3HG1 VAL 41 -7.199 3.967 -0.480 273 HG21 VAL 41 3HG2 VAL 41 -7.303 1.034 -1.803 274 HG22 VAL 41 1HG2 VAL 41 -7.927 0.690 -0.190 275 HG23 VAL 41 2HG2 VAL 41 -6.404 -0.027 -0.717 276 H ILE 42 H ILE 42 -2.768 3.073 -1.197 277 HA ILE 42 HA ILE 42 -1.953 0.435 -2.106 278 HB ILE 42 HB ILE 42 -0.884 2.593 -2.921 279 HG12 ILE 42 2HG1 ILE 42 1.456 1.158 -2.004 280 HG13 ILE 42 1HG1 ILE 42 0.180 0.029 -2.487 281 HG21 ILE 42 1HG2 ILE 42 -0.622 3.233 -0.316 282 HG22 ILE 42 2HG2 ILE 42 0.372 3.916 -1.604 283 HG23 ILE 42 3HG2 ILE 42 0.980 2.569 -0.642 284 HD11 ILE 42 3HD1 ILE 42 1.534 0.430 -4.383 285 HD12 ILE 42 1HD1 ILE 42 1.468 2.176 -4.148 286 HD13 ILE 42 2HD1 ILE 42 0.021 1.297 -4.643 287 H LEU 43 H LEU 43 -0.556 -0.955 -0.931 288 HA LEU 43 HA LEU 43 -0.492 -0.450 1.972 289 HB2 LEU 43 2HB LEU 43 -0.940 -3.072 0.545 290 HB3 LEU 43 1HB LEU 43 -0.718 -2.900 2.277 291 HG LEU 43 HG LEU 43 -2.968 -1.590 0.761 292 HD11 LEU 43 1HD1 LEU 43 -3.645 -3.730 0.487 293 HD12 LEU 43 2HD1 LEU 43 -4.200 -3.504 2.145 294 HD13 LEU 43 3HD1 LEU 43 -2.672 -4.328 1.831 295 HD21 LEU 43 3HD2 LEU 43 -2.292 -0.605 2.942 296 HD22 LEU 43 1HD2 LEU 43 -2.639 -2.158 3.702 297 HD23 LEU 43 2HD2 LEU 43 -3.936 -1.246 2.927 298 H PHE 44 H PHE 44 1.422 -0.595 2.927 299 HA PHE 44 HA PHE 44 3.661 -1.742 1.381 300 HB2 PHE 44 2HB PHE 44 3.393 0.833 2.295 301 HB3 PHE 44 1HB PHE 44 4.332 0.086 3.581 302 HD1 PHE 44 1HD PHE 44 4.249 0.364 -0.131 303 HD2 PHE 44 2HD PHE 44 6.624 0.015 3.383 304 HE1 PHE 44 1HE PHE 44 6.289 0.641 -1.482 305 HE2 PHE 44 2HE PHE 44 8.666 0.287 2.038 306 HZ PHE 44 HZ PHE 44 8.498 0.601 -0.398 307 H CYS 45 H CYS 45 4.900 -3.325 2.307 308 HA CYS 45 HA CYS 45 3.913 -4.623 4.627 309 HB2 CYS 45 2HB CYS 45 5.270 -5.681 2.736 310 HB3 CYS 45 1HB CYS 45 6.700 -5.004 3.535 311 H ASP 46 H ASP 46 4.835 -4.836 6.712 312 HA ASP 46 HA ASP 46 6.029 -2.394 7.660 313 HB2 ASP 46 2HB ASP 46 4.707 -4.734 8.887 314 HB3 ASP 46 1HB ASP 46 5.932 -3.932 9.879 315 H MET 47 H MET 47 7.292 -5.402 6.611 316 HA MET 47 HA MET 47 9.881 -4.663 7.799 317 HB2 MET 47 2HB MET 47 8.390 -7.158 8.126 318 HB3 MET 47 1HB MET 47 10.013 -7.420 7.489 319 HG2 MET 47 2HG MET 47 10.008 -5.546 9.696 320 HG3 MET 47 1HG MET 47 9.300 -7.098 10.140 321 HE1 MET 47 3HE MET 47 11.763 -5.636 11.284 322 HE2 MET 47 1HE MET 47 12.779 -5.256 9.893 323 HE3 MET 47 2HE MET 47 13.295 -6.479 11.056 324 H CYS 48 H CYS 48 8.289 -4.561 5.119 325 HA CYS 48 HA CYS 48 10.570 -5.194 3.441 326 HB2 CYS 48 2HB CYS 48 7.801 -6.263 2.846 327 HB3 CYS 48 1HB CYS 48 9.273 -6.540 1.926 328 H ASN 49 H ASN 49 9.581 -4.770 0.998 329 HA ASN 49 HA ASN 49 8.466 -2.052 1.113 330 HB2 ASN 49 2HB ASN 49 10.686 -3.233 -0.389 331 HB3 ASN 49 1HB ASN 49 9.566 -2.320 -1.410 332 HD21 ASN 49 1HD2 ASN 49 10.666 -1.825 1.936 333 HD22 ASN 49 2HD2 ASN 49 11.290 -0.236 1.670 334 H LEU 50 H LEU 50 7.281 -4.974 0.735 335 HA LEU 50 HA LEU 50 6.128 -5.159 -1.788 336 HB2 LEU 50 2HB LEU 50 6.082 -6.998 -0.201 337 HB3 LEU 50 1HB LEU 50 5.047 -6.072 0.884 338 HG LEU 50 HG LEU 50 3.470 -6.064 -1.278 339 HD11 LEU 50 1HD1 LEU 50 5.426 -7.578 -2.298 340 HD12 LEU 50 2HD1 LEU 50 3.729 -7.762 -2.743 341 HD13 LEU 50 3HD1 LEU 50 4.447 -8.838 -1.545 342 HD21 LEU 50 3HD2 LEU 50 2.122 -7.405 -0.062 343 HD22 LEU 50 1HD2 LEU 50 3.345 -7.132 1.178 344 HD23 LEU 50 2HD2 LEU 50 3.381 -8.609 0.215 345 H ALA 51 H ALA 51 5.345 -3.259 -2.593 346 HA ALA 51 HA ALA 51 3.201 -1.924 -1.108 347 HB1 ALA 51 1HB ALA 51 5.388 -0.823 -2.251 348 HB2 ALA 51 2HB ALA 51 3.875 0.041 -1.976 349 HB3 ALA 51 3HB ALA 51 4.218 -0.655 -3.559 350 H VAL 52 H VAL 52 1.267 -2.824 -1.642 351 HA VAL 52 HA VAL 52 0.495 -2.788 -4.459 352 HB VAL 52 HB VAL 52 -0.539 -5.045 -4.306 353 HG11 VAL 52 1HG1 VAL 52 2.430 -5.161 -3.820 354 HG12 VAL 52 2HG1 VAL 52 1.708 -4.605 -5.330 355 HG13 VAL 52 3HG1 VAL 52 1.445 -6.261 -4.787 356 HG21 VAL 52 3HG2 VAL 52 0.797 -6.433 -2.420 357 HG22 VAL 52 1HG2 VAL 52 -0.817 -5.764 -2.184 358 HG23 VAL 52 2HG2 VAL 52 0.594 -4.892 -1.587 359 H HIS 53 H HIS 53 -1.597 -2.148 -4.760 360 HA HIS 53 HA HIS 53 -3.089 -1.124 -2.598 361 HB2 HIS 53 2HB HIS 53 -4.168 -1.915 -5.316 362 HB3 HIS 53 1HB HIS 53 -4.926 -0.818 -4.173 363 HD2 HIS 53 2HD HIS 53 -3.426 1.644 -3.801 364 HE1 HIS 53 1HE HIS 53 -1.689 1.290 -7.643 365 HE2 HIS 53 2HE HIS 53 -2.257 2.884 -5.756 366 H GLN 54 H GLN 54 -4.877 -1.927 -1.466 367 HA GLN 54 HA GLN 54 -4.955 -4.712 -1.021 368 HB2 GLN 54 2HB GLN 54 -6.893 -4.287 0.392 369 HB3 GLN 54 1HB GLN 54 -5.633 -3.101 0.691 370 HG2 GLN 54 2HG GLN 54 -7.172 -1.532 0.451 371 HG3 GLN 54 1HG GLN 54 -7.232 -1.943 -1.270 372 HE21 GLN 54 1HE2 GLN 54 -8.463 -3.285 1.794 373 HE22 GLN 54 2HE2 GLN 54 -10.070 -3.555 1.220 374 H GLU 55 H GLU 55 -6.441 -2.792 -3.437 375 HA GLU 55 HA GLU 55 -8.546 -4.730 -4.006 376 HB2 GLU 55 2HB GLU 55 -7.882 -1.975 -4.905 377 HB3 GLU 55 1HB GLU 55 -8.695 -3.013 -6.067 378 HG2 GLU 55 2HG GLU 55 -10.503 -3.387 -4.457 379 HG3 GLU 55 1HG GLU 55 -9.690 -2.322 -3.312 380 H CYS 56 H CYS 56 -5.408 -3.750 -5.018 381 HA CYS 56 HA CYS 56 -5.387 -5.075 -7.540 382 HB2 CYS 56 2HB CYS 56 -3.684 -3.327 -5.997 383 HB3 CYS 56 1HB CYS 56 -2.767 -4.667 -6.626 384 H TYR 57 H TYR 57 -4.256 -5.771 -4.264 385 HA TYR 57 HA TYR 57 -3.100 -8.288 -5.051 386 HB2 TYR 57 2HB TYR 57 -2.342 -6.694 -3.135 387 HB3 TYR 57 1HB TYR 57 -3.598 -7.496 -2.202 388 HD1 TYR 57 1HD TYR 57 -3.431 -9.950 -1.768 389 HD2 TYR 57 2HD TYR 57 -0.269 -7.766 -3.597 390 HE1 TYR 57 1HE TYR 57 -1.872 -11.777 -1.243 391 HE2 TYR 57 2HE TYR 57 1.298 -9.588 -3.076 392 HH TYR 57 HH TYR 57 0.576 -12.525 -2.471 393 H GLY 58 H GLY 58 -6.113 -7.150 -3.705 394 HA2 GLY 58 2HA GLY 58 -8.138 -8.338 -3.756 395 HA3 GLY 58 1HA GLY 58 -7.227 -9.838 -3.972 396 H VAL 59 H VAL 59 -6.597 -7.418 -1.484 397 HA VAL 59 HA VAL 59 -6.624 -9.368 0.586 398 HB VAL 59 HB VAL 59 -6.696 -6.361 0.894 399 HG11 VAL 59 1HG1 VAL 59 -6.399 -8.620 2.756 400 HG12 VAL 59 2HG1 VAL 59 -6.973 -6.978 3.041 401 HG13 VAL 59 3HG1 VAL 59 -5.240 -7.308 2.971 402 HG21 VAL 59 3HG2 VAL 59 -4.746 -7.798 -0.411 403 HG22 VAL 59 1HG2 VAL 59 -4.116 -7.682 1.232 404 HG23 VAL 59 2HG2 VAL 59 -4.533 -6.218 0.341 405 HA PRO 60 HA PRO 60 -11.061 -9.345 1.187 406 HB2 PRO 60 2HB PRO 60 -11.072 -10.901 3.436 407 HB3 PRO 60 1HB PRO 60 -10.925 -11.544 1.793 408 HG2 PRO 60 2HG PRO 60 -8.789 -11.013 3.821 409 HG3 PRO 60 1HG PRO 60 -8.979 -12.399 2.733 410 HD2 PRO 60 2HD PRO 60 -7.244 -10.400 2.218 411 HD3 PRO 60 1HD PRO 60 -8.100 -11.262 0.924 412 H TYR 61 H TYR 61 -8.863 -8.815 3.955 413 HA TYR 61 HA TYR 61 -10.504 -6.548 4.764 414 HB2 TYR 61 2HB TYR 61 -11.413 -8.434 6.050 415 HB3 TYR 61 1HB TYR 61 -9.792 -8.801 6.660 416 HD1 TYR 61 1HD TYR 61 -12.045 -5.819 6.429 417 HD2 TYR 61 2HD TYR 61 -9.365 -8.103 8.814 418 HE1 TYR 61 1HE TYR 61 -12.410 -4.273 8.308 419 HE2 TYR 61 2HE TYR 61 -9.721 -6.567 10.699 420 HH TYR 61 HH TYR 61 -11.516 -4.958 11.461 421 H ILE 62 H ILE 62 -9.391 -4.958 5.888 422 HA ILE 62 HA ILE 62 -6.492 -5.127 5.690 423 HB ILE 62 HB ILE 62 -8.146 -2.750 6.545 424 HG12 ILE 62 2HG1 ILE 62 -7.029 -3.227 3.782 425 HG13 ILE 62 1HG1 ILE 62 -8.667 -3.702 4.222 426 HG21 ILE 62 1HG2 ILE 62 -5.929 -2.377 7.192 427 HG22 ILE 62 2HG2 ILE 62 -6.076 -1.553 5.638 428 HG23 ILE 62 3HG2 ILE 62 -5.283 -3.126 5.730 429 HD11 ILE 62 3HD1 ILE 62 -7.515 -0.928 4.162 430 HD12 ILE 62 1HD1 ILE 62 -9.090 -1.322 4.854 431 HD13 ILE 62 2HD1 ILE 62 -8.785 -1.596 3.138 432 HA PRO 63 HA PRO 63 -6.251 -6.112 10.062 433 HB2 PRO 63 2HB PRO 63 -3.543 -6.169 10.226 434 HB3 PRO 63 1HB PRO 63 -4.494 -7.491 9.520 435 HG2 PRO 63 2HG PRO 63 -3.014 -5.274 8.151 436 HG3 PRO 63 1HG PRO 63 -3.090 -6.995 7.732 437 HD2 PRO 63 2HD PRO 63 -4.569 -5.112 6.460 438 HD3 PRO 63 1HD PRO 63 -5.131 -6.779 6.689 439 H GLU 64 H GLU 64 -5.884 -4.999 11.947 440 HA GLU 64 HA GLU 64 -5.154 -2.173 11.662 441 HB2 GLU 64 2HB GLU 64 -7.370 -2.919 12.687 442 HB3 GLU 64 1HB GLU 64 -6.433 -3.485 14.061 443 HG2 GLU 64 2HG GLU 64 -5.547 -0.899 13.707 444 HG3 GLU 64 1HG GLU 64 -7.269 -0.798 13.350 445 H GLY 65 H GLY 65 -3.137 -4.298 11.743 446 HA2 GLY 65 2HA GLY 65 -1.637 -3.306 14.060 447 HA3 GLY 65 1HA GLY 65 -1.768 -5.041 13.818 448 H GLN 66 H GLN 66 0.046 -5.851 13.001 449 HA GLN 66 HA GLN 66 1.675 -4.187 11.221 450 HB2 GLN 66 2HB GLN 66 2.229 -6.451 13.058 451 HB3 GLN 66 1HB GLN 66 3.204 -6.368 11.598 452 HG2 GLN 66 2HG GLN 66 3.802 -4.032 12.207 453 HG3 GLN 66 1HG GLN 66 2.950 -4.265 13.734 454 HE21 GLN 66 1HE2 GLN 66 5.752 -5.101 11.850 455 HE22 GLN 66 2HE2 GLN 66 6.641 -5.842 13.131 456 H TRP 67 H TRP 67 2.356 -4.886 9.194 457 HA TRP 67 HA TRP 67 0.812 -7.135 8.083 458 HB2 TRP 67 2HB TRP 67 0.351 -4.752 7.227 459 HB3 TRP 67 1HB TRP 67 1.923 -4.862 6.442 460 HD1 TRP 67 HD TRP 67 -0.655 -7.731 6.625 461 HE1 TRP 67 1HE TRP 67 -1.323 -8.365 4.226 462 HE3 TRP 67 3HE TRP 67 1.866 -4.079 4.084 463 HZ2 TRP 67 2HZ TRP 67 -0.848 -7.442 1.598 464 HZ3 TRP 67 3HZ TRP 67 1.707 -4.027 1.629 465 HH2 TRP 67 HH TRP 67 0.377 -5.673 0.413 466 H LEU 68 H LEU 68 2.077 -8.858 7.890 467 HA LEU 68 HA LEU 68 4.817 -8.486 6.860 468 HB2 LEU 68 2HB LEU 68 3.734 -10.541 8.786 469 HB3 LEU 68 1HB LEU 68 5.240 -10.773 7.924 470 HG LEU 68 HG LEU 68 5.450 -9.948 10.294 471 HD11 LEU 68 1HD1 LEU 68 7.258 -8.418 9.781 472 HD12 LEU 68 2HD1 LEU 68 6.636 -8.200 8.146 473 HD13 LEU 68 3HD1 LEU 68 7.257 -9.773 8.650 474 HD21 LEU 68 3HD2 LEU 68 4.887 -7.786 10.912 475 HD22 LEU 68 1HD2 LEU 68 3.503 -8.284 9.940 476 HD23 LEU 68 2HD2 LEU 68 4.741 -7.238 9.243 477 H CYS 69 H CYS 69 4.648 -8.901 4.721 478 HA CYS 69 HA CYS 69 2.793 -10.563 3.484 479 HB2 CYS 69 2HB CYS 69 4.190 -10.428 1.500 480 HB3 CYS 69 1HB CYS 69 4.152 -8.856 2.306 481 H ARG 70 H ARG 70 3.212 -12.604 2.333 482 HA ARG 70 HA ARG 70 3.835 -14.677 4.007 483 HB2 ARG 70 2HB ARG 70 3.618 -14.423 1.055 484 HB3 ARG 70 1HB ARG 70 4.286 -15.914 1.705 485 HG2 ARG 70 2HG ARG 70 1.696 -14.837 2.742 486 HG3 ARG 70 1HG ARG 70 1.751 -15.760 1.241 487 HD2 ARG 70 2HD ARG 70 3.269 -17.093 3.291 488 HD3 ARG 70 1HD ARG 70 1.640 -16.751 3.866 489 HE ARG 70 HE ARG 70 0.776 -18.171 2.242 490 HH11 ARG 70 1HH1 ARG 70 4.257 -17.897 1.912 491 HH12 ARG 70 2HH1 ARG 70 4.384 -19.257 0.850 492 HH21 ARG 70 1HH2 ARG 70 0.958 -19.962 0.838 493 HH22 ARG 70 2HH2 ARG 70 2.515 -20.428 0.241 494 H HIS 71 H HIS 71 6.152 -12.780 2.178 495 HA HIS 71 HA HIS 71 8.220 -14.750 2.249 496 HB2 HIS 71 2HB HIS 71 8.039 -11.872 1.498 497 HB3 HIS 71 1HB HIS 71 9.630 -12.533 1.859 498 HD1 HIS 71 1HD HIS 71 6.763 -12.940 -0.552 499 HD2 HIS 71 2HD HIS 71 10.720 -14.128 -0.107 500 HE1 HIS 71 1HE HIS 71 7.395 -14.009 -2.740 501 HE2 HIS 71 2HE HIS 71 9.774 -14.776 -2.425 502 H CYS 72 H CYS 72 7.480 -11.862 4.174 503 HA CYS 72 HA CYS 72 9.731 -12.345 5.902 504 HB2 CYS 72 2HB CYS 72 8.894 -10.396 7.138 505 HB3 CYS 72 1HB CYS 72 9.138 -10.089 5.410 506 H LEU 73 H LEU 73 6.182 -12.568 6.215 507 HA LEU 73 HA LEU 73 6.144 -13.322 8.915 508 HB2 LEU 73 2HB LEU 73 3.921 -14.050 8.588 509 HB3 LEU 73 1HB LEU 73 4.153 -12.674 7.530 510 HG LEU 73 HG LEU 73 4.629 -14.468 5.703 511 HD11 LEU 73 1HD1 LEU 73 2.927 -16.426 6.366 512 HD12 LEU 73 2HD1 LEU 73 3.608 -16.082 7.956 513 HD13 LEU 73 3HD1 LEU 73 4.668 -16.533 6.622 514 HD21 LEU 73 3HD2 LEU 73 2.769 -13.276 5.210 515 HD22 LEU 73 1HD2 LEU 73 2.082 -13.472 6.821 516 HD23 LEU 73 2HD2 LEU 73 1.970 -14.784 5.650 517 H GLN 74 H GLN 74 7.023 -15.055 6.051 518 HA GLN 74 HA GLN 74 6.873 -17.669 7.304 519 HB2 GLN 74 2HB GLN 74 6.476 -17.429 4.884 520 HB3 GLN 74 1HB GLN 74 8.110 -16.814 4.678 521 HG2 GLN 74 2HG GLN 74 8.412 -18.987 4.071 522 HG3 GLN 74 1HG GLN 74 8.768 -19.097 5.794 523 HE21 GLN 74 1HE2 GLN 74 6.877 -20.264 3.261 524 HE22 GLN 74 2HE2 GLN 74 5.758 -21.194 4.191 525 H SER 75 H SER 75 9.302 -15.253 6.471 526 HA SER 75 HA SER 75 11.623 -16.696 7.090 527 HB2 SER 75 2HB SER 75 10.950 -13.765 7.026 528 HB3 SER 75 1HB SER 75 12.520 -14.298 7.627 529 HG SER 75 HG SER 75 13.011 -14.258 5.575 530 H ARG 76 H ARG 76 9.471 -14.758 9.143 531 HA ARG 76 HA ARG 76 11.113 -15.165 11.485 532 HB2 ARG 76 2HB ARG 76 9.433 -13.900 12.682 533 HB3 ARG 76 1HB ARG 76 9.845 -13.080 11.183 534 HG2 ARG 76 2HG ARG 76 7.796 -14.003 10.153 535 HG3 ARG 76 1HG ARG 76 7.375 -14.723 11.709 536 HD2 ARG 76 2HD ARG 76 6.201 -12.611 11.380 537 HD3 ARG 76 1HD ARG 76 7.330 -12.502 12.729 538 HE ARG 76 HE ARG 76 7.555 -11.169 10.144 539 HH11 ARG 76 1HH1 ARG 76 8.976 -11.840 13.279 540 HH12 ARG 76 2HH1 ARG 76 10.132 -10.557 13.166 541 HH21 ARG 76 1HH2 ARG 76 9.095 -9.486 10.002 542 HH22 ARG 76 2HH2 ARG 76 10.198 -9.221 11.310 543 H ALA 77 H ALA 77 8.450 -16.797 9.978 544 HA ALA 77 HA ALA 77 7.183 -18.049 12.089 545 HB1 ALA 77 1HB ALA 77 7.784 -19.598 9.602 546 HB2 ALA 77 2HB ALA 77 6.743 -18.177 9.530 547 HB3 ALA 77 3HB ALA 77 6.304 -19.541 10.557 548 H ARG 78 H ARG 78 10.281 -18.860 10.594 549 HA ARG 78 HA ARG 78 10.589 -21.331 11.990 550 HB2 ARG 78 2HB ARG 78 11.952 -19.984 9.916 551 HB3 ARG 78 1HB ARG 78 13.124 -20.218 11.205 552 HG2 ARG 78 2HG ARG 78 11.409 -22.491 10.308 553 HG3 ARG 78 1HG ARG 78 12.847 -22.037 9.392 554 HD2 ARG 78 2HD ARG 78 12.969 -22.479 12.354 555 HD3 ARG 78 1HD ARG 78 13.059 -23.835 11.233 556 HE ARG 78 HE ARG 78 14.951 -22.184 10.278 557 HH11 ARG 78 1HH1 ARG 78 14.310 -23.360 13.516 558 HH12 ARG 78 2HH1 ARG 78 15.970 -23.292 14.001 559 HH21 ARG 78 1HH2 ARG 78 17.140 -22.098 10.929 560 HH22 ARG 78 2HH2 ARG 78 17.574 -22.576 12.535 561 HA PRO 79 HA PRO 79 13.549 -18.956 14.925 562 HB2 PRO 79 2HB PRO 79 13.874 -16.294 14.673 563 HB3 PRO 79 1HB PRO 79 14.812 -17.447 13.713 564 HG2 PRO 79 2HG PRO 79 12.373 -15.886 12.947 565 HG3 PRO 79 1HG PRO 79 13.861 -16.158 12.019 566 HD2 PRO 79 2HD PRO 79 11.580 -17.573 11.606 567 HD3 PRO 79 1HD PRO 79 13.196 -18.255 11.337 568 H ALA 80 H ALA 80 11.192 -19.539 15.719 569 HA ALA 80 HA ALA 80 10.379 -17.345 17.453 570 HB1 ALA 80 1HB ALA 80 8.034 -17.507 16.904 571 HB2 ALA 80 2HB ALA 80 8.365 -18.774 15.721 572 HB3 ALA 80 3HB ALA 80 8.953 -17.134 15.447 Start of MODEL 9 1 H1 ALA 1 1HT ALA 1 -3.416 -2.736 8.938 2 H2 ALA 1 2HT ALA 1 -1.914 -2.372 9.685 3 H3 ALA 1 3HT ALA 1 -2.303 -3.993 9.286 4 HA ALA 1 HA ALA 1 -0.772 -3.186 7.725 5 HB1 ALA 1 2HB ALA 1 -2.429 -4.678 6.842 6 HB2 ALA 1 3HB ALA 1 -2.126 -3.415 5.650 7 HB3 ALA 1 1HB ALA 1 -3.580 -3.358 6.644 8 H ARG 2 H ARG 2 0.256 -1.378 7.187 9 HA ARG 2 HA ARG 2 -0.901 1.193 7.409 10 HB2 ARG 2 2HB ARG 2 1.714 0.106 6.520 11 HB3 ARG 2 1HB ARG 2 1.295 1.711 5.940 12 HG2 ARG 2 2HG ARG 2 1.178 2.587 8.124 13 HG3 ARG 2 1HG ARG 2 1.172 0.980 8.852 14 HD2 ARG 2 2HD ARG 2 3.453 2.382 7.478 15 HD3 ARG 2 1HD ARG 2 3.349 1.888 9.167 16 HE ARG 2 HE ARG 2 3.141 -0.464 7.934 17 HH11 ARG 2 1HH1 ARG 2 5.407 2.166 7.459 18 HH12 ARG 2 2HH1 ARG 2 6.654 1.138 6.844 19 HH21 ARG 2 1HH2 ARG 2 4.774 -1.802 7.117 20 HH22 ARG 2 2HH2 ARG 2 6.295 -1.123 6.644 21 H THR 3 H THR 3 -2.370 2.016 6.099 22 HA THR 3 HA THR 3 -2.211 1.413 3.219 23 HB THR 3 HB THR 3 -4.719 2.464 4.463 24 HG1 THR 3 1HG THR 3 -3.661 -0.102 4.879 25 HG21 THR 3 3HG2 THR 3 -4.006 1.356 1.959 26 HG22 THR 3 1HG2 THR 3 -5.571 1.966 2.500 27 HG23 THR 3 2HG2 THR 3 -5.156 0.270 2.740 28 H LYS 4 H LYS 4 -1.783 3.059 1.886 29 HA LYS 4 HA LYS 4 -2.037 5.801 2.934 30 HB2 LYS 4 2HB LYS 4 0.155 4.515 1.746 31 HB3 LYS 4 1HB LYS 4 -0.466 5.596 0.507 32 HG2 LYS 4 2HG LYS 4 -0.440 7.386 2.359 33 HG3 LYS 4 1HG LYS 4 0.622 6.266 3.214 34 HD2 LYS 4 2HD LYS 4 1.848 6.254 0.844 35 HD3 LYS 4 1HD LYS 4 1.106 7.853 0.749 36 HE2 LYS 4 2HE LYS 4 2.101 8.140 3.147 37 HE3 LYS 4 1HE LYS 4 3.157 6.817 2.661 38 HZ1 LYS 4 3HZ LYS 4 4.306 8.137 1.265 39 HZ2 LYS 4 1HZ LYS 4 3.698 9.395 2.217 40 HZ3 LYS 4 2HZ LYS 4 2.946 9.002 0.757 41 H GLN 5 H GLN 5 -3.600 7.018 2.099 42 HA GLN 5 HA GLN 5 -4.770 6.208 -0.474 43 HB2 GLN 5 2HB GLN 5 -6.274 6.157 1.503 44 HB3 GLN 5 1HB GLN 5 -6.020 7.883 1.710 45 HG2 GLN 5 2HG GLN 5 -7.377 8.435 -0.010 46 HG3 GLN 5 1HG GLN 5 -6.953 7.008 -0.951 47 HE21 GLN 5 1HE2 GLN 5 -9.520 7.737 -0.935 48 HE22 GLN 5 2HE2 GLN 5 -10.470 6.663 0.030 49 H THR 6 H THR 6 -4.969 7.603 -2.136 50 HA THR 6 HA THR 6 -4.221 10.407 -1.752 51 HB THR 6 HB THR 6 -2.813 10.234 -3.860 52 HG1 THR 6 1HG THR 6 -3.542 8.182 -4.539 53 HG21 THR 6 3HG2 THR 6 -1.439 8.461 -1.969 54 HG22 THR 6 1HG2 THR 6 -2.033 9.979 -1.295 55 HG23 THR 6 2HG2 THR 6 -0.931 9.997 -2.670 56 H ALA 7 H ALA 7 -5.369 11.810 -2.980 57 HA ALA 7 HA ALA 7 -7.270 10.653 -4.909 58 HB1 ALA 7 1HB ALA 7 -8.877 12.065 -4.185 59 HB2 ALA 7 2HB ALA 7 -7.745 13.386 -3.897 60 HB3 ALA 7 3HB ALA 7 -7.896 12.082 -2.720 61 H ARG 8 H ARG 8 -7.429 11.453 -6.961 62 HA ARG 8 HA ARG 8 -5.981 13.852 -7.722 63 HB2 ARG 8 2HB ARG 8 -4.545 11.598 -7.864 64 HB3 ARG 8 1HB ARG 8 -5.375 11.478 -9.409 65 HG2 ARG 8 2HG ARG 8 -3.342 12.550 -9.865 66 HG3 ARG 8 1HG ARG 8 -4.556 13.831 -9.873 67 HD2 ARG 8 2HD ARG 8 -3.353 13.345 -7.249 68 HD3 ARG 8 1HD ARG 8 -2.202 13.874 -8.475 69 HE ARG 8 HE ARG 8 -4.591 15.468 -8.388 70 HH11 ARG 8 1HH1 ARG 8 -1.407 15.030 -6.987 71 HH12 ARG 8 2HH1 ARG 8 -1.274 16.678 -6.475 72 HH21 ARG 8 1HH2 ARG 8 -4.404 17.637 -7.700 73 HH22 ARG 8 2HH2 ARG 8 -2.972 18.154 -6.878 74 H LYS 9 H LYS 9 -7.082 14.956 -9.213 75 HA LYS 9 HA LYS 9 -9.514 13.873 -10.293 76 HB2 LYS 9 2HB LYS 9 -8.796 16.368 -9.580 77 HB3 LYS 9 1HB LYS 9 -8.475 16.462 -11.306 78 HG2 LYS 9 2HG LYS 9 -10.638 17.155 -11.276 79 HG3 LYS 9 1HG LYS 9 -10.891 15.419 -11.467 80 HD2 LYS 9 2HD LYS 9 -11.028 15.311 -8.931 81 HD3 LYS 9 1HD LYS 9 -11.127 17.073 -8.964 82 HE2 LYS 9 2HE LYS 9 -13.036 16.597 -10.715 83 HE3 LYS 9 1HE LYS 9 -13.091 15.035 -9.899 84 HZ1 LYS 9 3HZ LYS 9 -13.611 16.063 -7.858 85 HZ2 LYS 9 1HZ LYS 9 -14.618 16.795 -9.004 86 HZ3 LYS 9 2HZ LYS 9 -13.249 17.611 -8.438 87 H SER 10 H SER 10 -10.056 13.574 -12.470 88 HA SER 10 HA SER 10 -7.949 13.753 -14.475 89 HB2 SER 10 2HB SER 10 -9.428 11.141 -14.103 90 HB3 SER 10 1HB SER 10 -8.039 11.463 -15.139 91 HG SER 10 HG SER 10 -7.907 10.471 -12.793 92 H THR 11 H THR 11 -9.353 15.425 -15.271 93 HA THR 11 HA THR 11 -12.046 14.957 -16.002 94 HB THR 11 HB THR 11 -11.403 16.999 -17.624 95 HG1 THR 11 1HG THR 11 -9.677 18.119 -16.879 96 HG21 THR 11 3HG2 THR 11 -11.516 18.460 -15.430 97 HG22 THR 11 1HG2 THR 11 -12.020 16.923 -14.730 98 HG23 THR 11 2HG2 THR 11 -12.930 17.622 -16.069 99 H GLY 12 H GLY 12 -12.994 14.422 -17.944 100 HA2 GLY 12 2HA GLY 12 -11.363 12.844 -19.737 101 HA3 GLY 12 1HA GLY 12 -13.110 13.022 -19.793 102 H GLY 13 H GLY 13 -10.051 14.268 -20.892 103 HA2 GLY 13 2HA GLY 13 -10.753 15.136 -23.340 104 HA3 GLY 13 1HA GLY 13 -11.256 16.483 -22.333 105 H SER 14 H SER 14 -9.192 16.496 -20.447 106 HA SER 14 HA SER 14 -6.922 17.310 -22.131 107 HB2 SER 14 2HB SER 14 -7.210 18.227 -19.296 108 HB3 SER 14 1HB SER 14 -6.483 19.055 -20.672 109 HG SER 14 HG SER 14 -8.576 19.415 -21.484 110 H SER 15 H SER 15 -5.086 16.187 -22.000 111 HA SER 15 HA SER 15 -4.588 14.581 -19.578 112 HB2 SER 15 2HB SER 15 -3.667 12.812 -20.915 113 HB3 SER 15 1HB SER 15 -5.241 13.220 -21.597 114 HG SER 15 HG SER 15 -4.294 13.825 -23.377 115 H GLY 16 H GLY 16 -2.444 14.408 -18.869 116 HA2 GLY 16 2HA GLY 16 -0.374 15.883 -20.304 117 HA3 GLY 16 1HA GLY 16 -0.825 16.500 -18.723 118 H SER 17 H SER 17 1.180 16.124 -17.792 119 HA SER 17 HA SER 17 1.902 13.283 -17.454 120 HB2 SER 17 2HB SER 17 3.938 15.444 -17.065 121 HB3 SER 17 1HB SER 17 4.161 13.772 -17.580 122 HG SER 17 HG SER 17 3.145 14.393 -19.583 123 H SER 18 H SER 18 1.631 12.537 -15.458 124 HA SER 18 HA SER 18 1.314 14.412 -13.244 125 HB2 SER 18 2HB SER 18 0.743 11.456 -13.519 126 HB3 SER 18 1HB SER 18 0.589 12.327 -11.993 127 HG SER 18 HG SER 18 -1.402 12.379 -12.929 128 H GLN 19 H GLN 19 3.090 14.981 -12.172 129 HA GLN 19 HA GLN 19 4.954 12.896 -11.315 130 HB2 GLN 19 2HB GLN 19 5.558 15.092 -13.168 131 HB3 GLN 19 1HB GLN 19 6.668 14.983 -11.811 132 HG2 GLN 19 2HG GLN 19 7.492 12.953 -12.463 133 HG3 GLN 19 1HG GLN 19 6.016 12.503 -13.315 134 HE21 GLN 19 1HE2 GLN 19 7.260 11.879 -15.118 135 HE22 GLN 19 2HE2 GLN 19 7.930 13.054 -16.194 136 H SER 20 H SER 20 5.821 13.206 -9.302 137 HA SER 20 HA SER 20 5.562 15.783 -7.977 138 HB2 SER 20 2HB SER 20 4.465 13.451 -6.459 139 HB3 SER 20 1HB SER 20 4.105 15.167 -6.291 140 HG SER 20 HG SER 20 2.377 13.993 -7.246 141 H LEU 21 H LEU 21 6.780 15.945 -6.016 142 HA LEU 21 HA LEU 21 8.553 13.717 -5.358 143 HB2 LEU 21 2HB LEU 21 9.372 16.026 -6.863 144 HB3 LEU 21 1HB LEU 21 10.193 16.016 -5.313 145 HG LEU 21 HG LEU 21 10.577 13.446 -6.047 146 HD11 LEU 21 1HD1 LEU 21 11.322 13.623 -8.483 147 HD12 LEU 21 2HD1 LEU 21 10.282 15.045 -8.568 148 HD13 LEU 21 3HD1 LEU 21 9.594 13.472 -8.169 149 HD21 LEU 21 3HD2 LEU 21 12.133 15.947 -6.316 150 HD22 LEU 21 1HD2 LEU 21 12.757 14.526 -7.155 151 HD23 LEU 21 2HD2 LEU 21 12.492 14.476 -5.412 152 H ILE 22 H ILE 22 6.319 15.022 -3.991 153 HA ILE 22 HA ILE 22 7.446 16.630 -1.884 154 HB ILE 22 HB ILE 22 5.177 17.084 -2.588 155 HG12 ILE 22 2HG1 ILE 22 4.660 15.941 0.108 156 HG13 ILE 22 1HG1 ILE 22 6.011 17.076 -0.040 157 HG21 ILE 22 1HG2 ILE 22 4.873 14.235 -2.434 158 HG22 ILE 22 2HG2 ILE 22 3.826 15.436 -3.186 159 HG23 ILE 22 3HG2 ILE 22 3.627 15.039 -1.480 160 HD11 ILE 22 3HD1 ILE 22 3.472 17.805 0.460 161 HD12 ILE 22 1HD1 ILE 22 3.492 17.925 -1.299 162 HD13 ILE 22 2HD1 ILE 22 4.654 18.840 -0.340 163 H ASP 23 H ASP 23 6.556 13.250 -2.319 164 HA ASP 23 HA ASP 23 8.237 12.370 -0.245 165 HB2 ASP 23 2HB ASP 23 6.684 11.597 1.421 166 HB3 ASP 23 1HB ASP 23 6.389 13.310 1.157 167 H GLU 24 H GLU 24 7.648 9.920 0.310 168 HA GLU 24 HA GLU 24 7.101 8.661 -2.285 169 HB2 GLU 24 2HB GLU 24 8.258 6.650 -1.213 170 HB3 GLU 24 1HB GLU 24 9.261 8.042 -1.593 171 HG2 GLU 24 2HG GLU 24 9.253 8.729 0.720 172 HG3 GLU 24 1HG GLU 24 8.142 7.424 1.132 173 H ASP 25 H ASP 25 5.043 8.108 -2.461 174 HA ASP 25 HA ASP 25 3.560 7.079 -0.172 175 HB2 ASP 25 2HB ASP 25 2.635 7.677 -2.991 176 HB3 ASP 25 1HB ASP 25 1.594 7.243 -1.641 177 H ALA 26 H ALA 26 5.709 5.473 -1.547 178 HA ALA 26 HA ALA 26 6.091 3.282 -2.022 179 HB1 ALA 26 1HB ALA 26 3.816 1.835 -1.853 180 HB2 ALA 26 2HB ALA 26 3.401 3.211 -0.834 181 HB3 ALA 26 3HB ALA 26 4.832 2.249 -0.474 182 H VAL 27 H VAL 27 5.850 1.729 -3.741 183 HA VAL 27 HA VAL 27 4.277 2.757 -6.012 184 HB VAL 27 HB VAL 27 6.031 1.643 -7.476 185 HG11 VAL 27 1HG1 VAL 27 7.087 3.639 -7.724 186 HG12 VAL 27 2HG1 VAL 27 7.377 3.826 -5.996 187 HG13 VAL 27 3HG1 VAL 27 5.781 4.166 -6.663 188 HG21 VAL 27 3HG2 VAL 27 7.933 0.763 -6.647 189 HG22 VAL 27 1HG2 VAL 27 6.993 0.590 -5.165 190 HG23 VAL 27 2HG2 VAL 27 8.062 1.976 -5.374 191 H CYS 28 H CYS 28 2.604 1.489 -6.398 192 HA CYS 28 HA CYS 28 2.252 -1.097 -5.454 193 HB2 CYS 28 2HB CYS 28 0.345 0.195 -6.042 194 HB3 CYS 28 1HB CYS 28 0.910 0.384 -7.708 195 H SER 29 H SER 29 2.250 -3.130 -6.450 196 HA SER 29 HA SER 29 4.261 -3.415 -8.549 197 HB2 SER 29 2HB SER 29 2.989 -5.712 -7.085 198 HB3 SER 29 1HB SER 29 4.594 -5.613 -7.808 199 HG SER 29 HG SER 29 4.086 -5.288 -5.327 200 H ILE 30 H ILE 30 0.855 -4.178 -7.908 201 HA ILE 30 HA ILE 30 0.445 -5.722 -10.254 202 HB ILE 30 HB ILE 30 -1.435 -4.294 -8.385 203 HG12 ILE 30 2HG1 ILE 30 -2.126 -6.925 -8.381 204 HG13 ILE 30 1HG1 ILE 30 -0.398 -7.043 -8.741 205 HG21 ILE 30 1HG2 ILE 30 -2.173 -5.851 -10.860 206 HG22 ILE 30 2HG2 ILE 30 -2.514 -4.150 -10.528 207 HG23 ILE 30 3HG2 ILE 30 -3.305 -5.412 -9.579 208 HD11 ILE 30 3HD1 ILE 30 -1.642 -6.697 -6.243 209 HD12 ILE 30 1HD1 ILE 30 -0.785 -5.198 -6.597 210 HD13 ILE 30 2HD1 ILE 30 0.081 -6.733 -6.608 211 H CYS 31 H CYS 31 0.507 -2.289 -9.635 212 HA CYS 31 HA CYS 31 0.149 -1.769 -12.474 213 HB2 CYS 31 2HB CYS 31 -1.709 -0.384 -12.287 214 HB3 CYS 31 1HB CYS 31 -2.087 -1.662 -11.130 215 H MET 32 H MET 32 0.700 0.483 -13.057 216 HA MET 32 HA MET 32 2.744 1.570 -11.234 217 HB2 MET 32 2HB MET 32 2.495 1.720 -14.244 218 HB3 MET 32 1HB MET 32 3.663 2.654 -13.322 219 HG2 MET 32 2HG MET 32 5.074 0.962 -13.366 220 HG3 MET 32 1HG MET 32 3.902 -0.061 -12.539 221 HE1 MET 32 3HE MET 32 4.345 0.312 -17.111 222 HE2 MET 32 1HE MET 32 5.058 1.384 -15.906 223 HE3 MET 32 2HE MET 32 3.328 1.460 -16.239 224 H ASP 33 H ASP 33 0.235 2.292 -10.574 225 HA ASP 33 HA ASP 33 -1.164 4.038 -10.191 226 HB2 ASP 33 2HB ASP 33 1.481 5.323 -10.674 227 HB3 ASP 33 1HB ASP 33 0.058 6.374 -10.632 228 H GLY 34 H GLY 34 -1.194 2.857 -12.856 229 HA2 GLY 34 2HA GLY 34 -1.921 5.179 -14.520 230 HA3 GLY 34 1HA GLY 34 -1.546 3.565 -15.129 231 H GLU 35 H GLU 35 -3.658 4.214 -12.384 232 HA GLU 35 HA GLU 35 -5.857 2.923 -13.815 233 HB2 GLU 35 2HB GLU 35 -5.364 3.536 -10.902 234 HB3 GLU 35 1HB GLU 35 -6.930 2.996 -11.488 235 HG2 GLU 35 2HG GLU 35 -5.556 1.036 -12.517 236 HG3 GLU 35 1HG GLU 35 -4.353 1.507 -11.319 237 H SER 36 H SER 36 -8.025 3.814 -13.692 238 HA SER 36 HA SER 36 -7.984 6.743 -13.836 239 HB2 SER 36 2HB SER 36 -8.877 5.217 -15.730 240 HB3 SER 36 1HB SER 36 -10.290 5.007 -14.697 241 HG SER 36 HG SER 36 -10.624 7.233 -14.767 242 H GLN 37 H GLN 37 -7.964 5.431 -11.268 243 HA GLN 37 HA GLN 37 -10.665 5.789 -10.222 244 HB2 GLN 37 2HB GLN 37 -8.569 4.054 -9.587 245 HB3 GLN 37 1HB GLN 37 -8.608 5.205 -8.245 246 HG2 GLN 37 2HG GLN 37 -10.823 4.641 -7.690 247 HG3 GLN 37 1HG GLN 37 -11.076 3.792 -9.215 248 HE21 GLN 37 1HE2 GLN 37 -9.069 3.721 -6.300 249 HE22 GLN 37 2HE2 GLN 37 -8.965 1.999 -6.202 250 H ASN 38 H ASN 38 -11.277 7.446 -8.897 251 HA ASN 38 HA ASN 38 -9.740 9.833 -8.895 252 HB2 ASN 38 2HB ASN 38 -12.358 9.386 -8.635 253 HB3 ASN 38 1HB ASN 38 -11.952 9.497 -6.925 254 HD21 ASN 38 1HD2 ASN 38 -11.377 11.210 -9.988 255 HD22 ASN 38 2HD2 ASN 38 -11.503 12.796 -9.316 256 H SER 39 H SER 39 -10.214 7.252 -6.547 257 HA SER 39 HA SER 39 -8.003 8.319 -4.965 258 HB2 SER 39 2HB SER 39 -10.451 8.887 -4.066 259 HB3 SER 39 1HB SER 39 -10.319 7.247 -3.419 260 HG SER 39 HG SER 39 -8.893 9.552 -2.759 261 H ASN 40 H ASN 40 -6.616 6.771 -4.328 262 HA ASN 40 HA ASN 40 -7.511 3.961 -4.418 263 HB2 ASN 40 2HB ASN 40 -5.201 3.391 -5.242 264 HB3 ASN 40 1HB ASN 40 -6.182 4.293 -6.391 265 HD21 ASN 40 1HD2 ASN 40 -3.545 4.527 -4.081 266 HD22 ASN 40 2HD2 ASN 40 -2.834 5.949 -4.758 267 H VAL 41 H VAL 41 -5.973 2.476 -3.211 268 HA VAL 41 HA VAL 41 -4.702 3.818 -0.927 269 HB VAL 41 HB VAL 41 -5.611 2.010 0.575 270 HG11 VAL 41 1HG1 VAL 41 -6.696 3.899 1.122 271 HG12 VAL 41 2HG1 VAL 41 -8.065 3.119 0.330 272 HG13 VAL 41 3HG1 VAL 41 -7.084 4.288 -0.554 273 HG21 VAL 41 3HG2 VAL 41 -7.851 1.075 -0.245 274 HG22 VAL 41 1HG2 VAL 41 -6.374 0.330 -0.857 275 HG23 VAL 41 2HG2 VAL 41 -7.272 1.467 -1.864 276 H ILE 42 H ILE 42 -2.619 3.261 -1.067 277 HA ILE 42 HA ILE 42 -1.848 0.660 -2.119 278 HB ILE 42 HB ILE 42 -0.645 2.837 -2.688 279 HG12 ILE 42 2HG1 ILE 42 1.644 1.369 -1.899 280 HG13 ILE 42 1HG1 ILE 42 0.373 0.183 -2.225 281 HG21 ILE 42 1HG2 ILE 42 -0.515 3.229 -0.021 282 HG22 ILE 42 2HG2 ILE 42 0.566 3.990 -1.189 283 HG23 ILE 42 3HG2 ILE 42 1.081 2.542 -0.325 284 HD11 ILE 42 3HD1 ILE 42 1.254 0.373 -4.304 285 HD12 ILE 42 1HD1 ILE 42 1.761 2.044 -4.062 286 HD13 ILE 42 2HD1 ILE 42 0.069 1.674 -4.394 287 H LEU 43 H LEU 43 -0.648 -0.899 -0.963 288 HA LEU 43 HA LEU 43 -0.727 -0.591 1.965 289 HB2 LEU 43 2HB LEU 43 -1.276 -3.051 0.312 290 HB3 LEU 43 1HB LEU 43 -1.069 -3.067 2.054 291 HG LEU 43 HG LEU 43 -3.232 -1.556 0.593 292 HD11 LEU 43 1HD1 LEU 43 -3.089 -4.295 1.715 293 HD12 LEU 43 2HD1 LEU 43 -3.991 -3.680 0.330 294 HD13 LEU 43 3HD1 LEU 43 -4.576 -3.381 1.965 295 HD21 LEU 43 3HD2 LEU 43 -2.554 -1.923 3.492 296 HD22 LEU 43 1HD2 LEU 43 -4.184 -1.507 2.962 297 HD23 LEU 43 2HD2 LEU 43 -2.836 -0.427 2.604 298 H PHE 44 H PHE 44 1.136 -0.809 2.977 299 HA PHE 44 HA PHE 44 3.392 -2.025 1.517 300 HB2 PHE 44 2HB PHE 44 3.208 0.491 2.621 301 HB3 PHE 44 1HB PHE 44 4.037 -0.411 3.884 302 HD1 PHE 44 1HD PHE 44 4.162 0.085 0.191 303 HD2 PHE 44 2HD PHE 44 6.331 -0.524 3.803 304 HE1 PHE 44 1HE PHE 44 6.283 0.333 -1.040 305 HE2 PHE 44 2HE PHE 44 8.449 -0.280 2.579 306 HZ PHE 44 HZ PHE 44 8.428 0.150 0.154 307 H CYS 45 H CYS 45 4.484 -3.736 2.403 308 HA CYS 45 HA CYS 45 3.264 -5.157 4.526 309 HB2 CYS 45 2HB CYS 45 4.717 -6.110 2.641 310 HB3 CYS 45 1HB CYS 45 6.104 -5.620 3.629 311 H ASP 46 H ASP 46 4.014 -5.613 6.634 312 HA ASP 46 HA ASP 46 5.264 -3.345 7.903 313 HB2 ASP 46 2HB ASP 46 3.633 -5.628 8.750 314 HB3 ASP 46 1HB ASP 46 4.883 -5.165 9.913 315 H MET 47 H MET 47 6.420 -6.329 6.672 316 HA MET 47 HA MET 47 8.950 -5.879 8.106 317 HB2 MET 47 2HB MET 47 7.387 -8.009 8.694 318 HB3 MET 47 1HB MET 47 8.308 -8.674 7.346 319 HG2 MET 47 2HG MET 47 10.343 -7.688 8.704 320 HG3 MET 47 1HG MET 47 9.218 -7.848 10.050 321 HE1 MET 47 3HE MET 47 10.679 -9.411 11.339 322 HE2 MET 47 1HE MET 47 11.978 -9.513 10.150 323 HE3 MET 47 2HE MET 47 11.263 -10.986 10.804 324 H CYS 48 H CYS 48 7.581 -5.442 5.336 325 HA CYS 48 HA CYS 48 9.939 -6.060 3.771 326 HB2 CYS 48 2HB CYS 48 7.184 -6.931 2.872 327 HB3 CYS 48 1HB CYS 48 8.720 -7.237 2.076 328 H ASN 49 H ASN 49 9.146 -5.380 1.306 329 HA ASN 49 HA ASN 49 8.131 -2.634 1.591 330 HB2 ASN 49 2HB ASN 49 9.911 -3.712 -0.609 331 HB3 ASN 49 1HB ASN 49 9.446 -2.025 -0.351 332 HD21 ASN 49 1HD2 ASN 49 10.163 -1.042 1.700 333 HD22 ASN 49 2HD2 ASN 49 11.696 -1.515 2.340 334 H LEU 50 H LEU 50 6.874 -5.471 0.850 335 HA LEU 50 HA LEU 50 5.891 -5.365 -1.742 336 HB2 LEU 50 2HB LEU 50 5.646 -7.339 -0.346 337 HB3 LEU 50 1HB LEU 50 4.572 -6.464 0.746 338 HG LEU 50 HG LEU 50 3.077 -6.179 -1.382 339 HD11 LEU 50 1HD1 LEU 50 4.274 -6.992 -3.155 340 HD12 LEU 50 2HD1 LEU 50 3.348 -8.424 -2.706 341 HD13 LEU 50 3HD1 LEU 50 5.032 -8.270 -2.205 342 HD21 LEU 50 3HD2 LEU 50 1.796 -7.993 -0.692 343 HD22 LEU 50 1HD2 LEU 50 2.739 -7.598 0.743 344 HD23 LEU 50 2HD2 LEU 50 3.210 -8.959 -0.273 345 H ALA 51 H ALA 51 5.193 -3.429 -2.476 346 HA ALA 51 HA ALA 51 3.043 -2.087 -1.004 347 HB1 ALA 51 1HB ALA 51 4.225 -0.729 -3.333 348 HB2 ALA 51 2HB ALA 51 5.320 -1.015 -1.983 349 HB3 ALA 51 3HB ALA 51 3.830 -0.106 -1.733 350 H VAL 52 H VAL 52 1.091 -2.811 -1.666 351 HA VAL 52 HA VAL 52 0.464 -2.632 -4.513 352 HB VAL 52 HB VAL 52 -0.773 -4.825 -4.422 353 HG11 VAL 52 1HG1 VAL 52 2.229 -4.805 -4.208 354 HG12 VAL 52 2HG1 VAL 52 1.244 -4.740 -5.669 355 HG13 VAL 52 3HG1 VAL 52 1.298 -6.215 -4.707 356 HG21 VAL 52 3HG2 VAL 52 -0.245 -4.757 -1.741 357 HG22 VAL 52 1HG2 VAL 52 0.965 -5.900 -2.328 358 HG23 VAL 52 2HG2 VAL 52 -0.746 -6.186 -2.644 359 H HIS 53 H HIS 53 -1.567 -1.822 -4.871 360 HA HIS 53 HA HIS 53 -3.067 -0.791 -2.719 361 HB2 HIS 53 2HB HIS 53 -4.086 -1.374 -5.511 362 HB3 HIS 53 1HB HIS 53 -4.819 -0.287 -4.345 363 HD2 HIS 53 2HD HIS 53 -3.210 2.063 -3.806 364 HE1 HIS 53 1HE HIS 53 -1.289 1.753 -7.563 365 HE2 HIS 53 2HE HIS 53 -1.883 3.311 -5.652 366 H GLN 54 H GLN 54 -4.914 -1.529 -1.656 367 HA GLN 54 HA GLN 54 -5.205 -4.315 -1.356 368 HB2 GLN 54 2HB GLN 54 -7.097 -3.834 0.063 369 HB3 GLN 54 1HB GLN 54 -5.820 -2.672 0.385 370 HG2 GLN 54 2HG GLN 54 -7.383 -1.111 0.201 371 HG3 GLN 54 1HG GLN 54 -7.332 -1.413 -1.543 372 HE21 GLN 54 1HE2 GLN 54 -8.775 -2.897 1.359 373 HE22 GLN 54 2HE2 GLN 54 -10.338 -3.134 0.662 374 H GLU 55 H GLU 55 -6.513 -2.171 -3.696 375 HA GLU 55 HA GLU 55 -8.706 -3.944 -4.428 376 HB2 GLU 55 2HB GLU 55 -8.495 -1.247 -4.537 377 HB3 GLU 55 1HB GLU 55 -7.983 -1.656 -6.167 378 HG2 GLU 55 2HG GLU 55 -10.052 -2.153 -6.813 379 HG3 GLU 55 1HG GLU 55 -10.385 -3.076 -5.350 380 H CYS 56 H CYS 56 -5.480 -3.139 -5.293 381 HA CYS 56 HA CYS 56 -5.469 -4.288 -7.905 382 HB2 CYS 56 2HB CYS 56 -3.711 -2.766 -6.206 383 HB3 CYS 56 1HB CYS 56 -2.863 -4.146 -6.839 384 H TYR 57 H TYR 57 -4.492 -5.271 -4.648 385 HA TYR 57 HA TYR 57 -3.509 -7.819 -5.553 386 HB2 TYR 57 2HB TYR 57 -2.743 -6.380 -3.490 387 HB3 TYR 57 1HB TYR 57 -4.052 -7.224 -2.671 388 HD1 TYR 57 1HD TYR 57 -3.915 -9.622 -2.249 389 HD2 TYR 57 2HD TYR 57 -0.744 -7.561 -4.199 390 HE1 TYR 57 1HE TYR 57 -2.429 -11.542 -1.854 391 HE2 TYR 57 2HE TYR 57 0.747 -9.473 -3.809 392 HH TYR 57 HH TYR 57 0.400 -12.038 -3.426 393 H GLY 58 H GLY 58 -6.463 -6.539 -4.191 394 HA2 GLY 58 2HA GLY 58 -8.570 -7.584 -4.473 395 HA3 GLY 58 1HA GLY 58 -7.748 -9.142 -4.623 396 H VAL 59 H VAL 59 -7.126 -6.777 -2.077 397 HA VAL 59 HA VAL 59 -7.583 -8.749 -0.043 398 HB VAL 59 HB VAL 59 -7.142 -5.787 0.358 399 HG11 VAL 59 1HG1 VAL 59 -7.905 -6.873 2.355 400 HG12 VAL 59 2HG1 VAL 59 -6.181 -6.542 2.522 401 HG13 VAL 59 3HG1 VAL 59 -6.732 -8.176 2.149 402 HG21 VAL 59 3HG2 VAL 59 -5.294 -6.428 -0.933 403 HG22 VAL 59 1HG2 VAL 59 -5.173 -7.999 -0.140 404 HG23 VAL 59 2HG2 VAL 59 -4.725 -6.533 0.733 405 HA PRO 60 HA PRO 60 -11.989 -7.763 0.082 406 HB2 PRO 60 2HB PRO 60 -12.621 -9.640 1.963 407 HB3 PRO 60 1HB PRO 60 -12.428 -10.003 0.241 408 HG2 PRO 60 2HG PRO 60 -10.489 -10.385 2.490 409 HG3 PRO 60 1HG PRO 60 -10.858 -11.463 1.132 410 HD2 PRO 60 2HD PRO 60 -8.663 -9.889 1.174 411 HD3 PRO 60 1HD PRO 60 -9.517 -10.288 -0.330 412 H TYR 61 H TYR 61 -10.072 -8.336 3.039 413 HA TYR 61 HA TYR 61 -11.299 -5.952 4.216 414 HB2 TYR 61 2HB TYR 61 -12.240 -8.320 4.996 415 HB3 TYR 61 1HB TYR 61 -10.802 -8.274 6.026 416 HD1 TYR 61 1HD TYR 61 -10.497 -6.181 7.502 417 HD2 TYR 61 2HD TYR 61 -14.185 -7.224 5.658 418 HE1 TYR 61 1HE TYR 61 -11.694 -4.761 9.111 419 HE2 TYR 61 2HE TYR 61 -15.395 -5.808 7.264 420 HH TYR 61 HH TYR 61 -14.167 -4.746 10.074 421 H ILE 62 H ILE 62 -9.909 -4.682 5.337 422 HA ILE 62 HA ILE 62 -7.096 -5.389 5.244 423 HB ILE 62 HB ILE 62 -8.319 -2.831 6.286 424 HG12 ILE 62 2HG1 ILE 62 -7.161 -3.172 3.530 425 HG13 ILE 62 1HG1 ILE 62 -8.860 -3.510 3.838 426 HG21 ILE 62 1HG2 ILE 62 -6.009 -3.212 6.967 427 HG22 ILE 62 2HG2 ILE 62 -6.117 -1.877 5.821 428 HG23 ILE 62 3HG2 ILE 62 -5.545 -3.455 5.282 429 HD11 ILE 62 3HD1 ILE 62 -7.630 -1.031 3.304 430 HD12 ILE 62 1HD1 ILE 62 -8.228 -0.977 4.963 431 HD13 ILE 62 2HD1 ILE 62 -9.329 -1.363 3.640 432 HA PRO 63 HA PRO 63 -7.058 -6.715 9.501 433 HB2 PRO 63 2HB PRO 63 -4.381 -6.898 9.836 434 HB3 PRO 63 1HB PRO 63 -5.304 -8.070 8.876 435 HG2 PRO 63 2HG PRO 63 -3.671 -5.732 7.955 436 HG3 PRO 63 1HG PRO 63 -3.748 -7.375 7.291 437 HD2 PRO 63 2HD PRO 63 -5.091 -5.276 6.206 438 HD3 PRO 63 1HD PRO 63 -5.681 -6.946 6.122 439 H GLU 64 H GLU 64 -6.604 -5.900 11.572 440 HA GLU 64 HA GLU 64 -5.927 -3.046 11.625 441 HB2 GLU 64 2HB GLU 64 -7.140 -4.640 13.879 442 HB3 GLU 64 1HB GLU 64 -7.125 -2.895 13.675 443 HG2 GLU 64 2HG GLU 64 -9.280 -3.387 13.097 444 HG3 GLU 64 1HG GLU 64 -8.500 -3.421 11.518 445 H GLY 65 H GLY 65 -3.902 -5.191 11.450 446 HA2 GLY 65 2HA GLY 65 -2.361 -4.414 13.820 447 HA3 GLY 65 1HA GLY 65 -2.500 -6.119 13.421 448 H GLN 66 H GLN 66 -0.661 -6.821 12.568 449 HA GLN 66 HA GLN 66 0.902 -5.017 10.863 450 HB2 GLN 66 2HB GLN 66 1.678 -7.638 12.160 451 HB3 GLN 66 1HB GLN 66 2.744 -6.629 11.193 452 HG2 GLN 66 2HG GLN 66 2.295 -4.790 12.886 453 HG3 GLN 66 1HG GLN 66 1.576 -6.045 13.895 454 HE21 GLN 66 1HE2 GLN 66 4.517 -5.576 11.943 455 HE22 GLN 66 2HE2 GLN 66 5.602 -6.218 13.122 456 H TRP 67 H TRP 67 1.095 -5.337 8.728 457 HA TRP 67 HA TRP 67 -0.292 -7.617 7.556 458 HB2 TRP 67 2HB TRP 67 -0.610 -5.214 6.751 459 HB3 TRP 67 1HB TRP 67 1.001 -5.339 6.053 460 HD1 TRP 67 HD TRP 67 -1.791 -8.024 5.955 461 HE1 TRP 67 1HE TRP 67 -2.292 -8.565 3.493 462 HE3 TRP 67 3HE TRP 67 1.272 -4.586 3.728 463 HZ2 TRP 67 2HZ TRP 67 -1.499 -7.655 0.939 464 HZ3 TRP 67 3HZ TRP 67 1.341 -4.488 1.270 465 HH2 TRP 67 HH TRP 67 -0.016 -5.990 -0.093 466 H LEU 68 H LEU 68 0.850 -9.420 7.316 467 HA LEU 68 HA LEU 68 3.666 -9.203 6.464 468 HB2 LEU 68 2HB LEU 68 2.265 -11.355 8.052 469 HB3 LEU 68 1HB LEU 68 3.839 -11.588 7.321 470 HG LEU 68 HG LEU 68 3.810 -11.034 9.791 471 HD11 LEU 68 1HD1 LEU 68 5.831 -10.897 8.487 472 HD12 LEU 68 2HD1 LEU 68 5.761 -9.547 9.620 473 HD13 LEU 68 3HD1 LEU 68 5.390 -9.287 7.915 474 HD21 LEU 68 3HD2 LEU 68 3.421 -8.191 8.922 475 HD22 LEU 68 1HD2 LEU 68 3.392 -8.871 10.549 476 HD23 LEU 68 2HD2 LEU 68 2.061 -9.189 9.439 477 H CYS 69 H CYS 69 3.798 -9.526 4.328 478 HA CYS 69 HA CYS 69 1.865 -10.819 2.761 479 HB2 CYS 69 2HB CYS 69 3.455 -10.658 0.926 480 HB3 CYS 69 1HB CYS 69 3.468 -9.162 1.867 481 H ARG 70 H ARG 70 2.199 -12.766 1.443 482 HA ARG 70 HA ARG 70 2.410 -15.057 2.891 483 HB2 ARG 70 2HB ARG 70 1.509 -14.811 0.576 484 HB3 ARG 70 1HB ARG 70 3.164 -14.854 -0.016 485 HG2 ARG 70 2HG ARG 70 2.806 -17.098 1.674 486 HG3 ARG 70 1HG ARG 70 1.422 -17.020 0.582 487 HD2 ARG 70 2HD ARG 70 2.705 -17.324 -1.291 488 HD3 ARG 70 1HD ARG 70 4.139 -16.609 -0.557 489 HE ARG 70 HE ARG 70 4.737 -18.676 0.228 490 HH11 ARG 70 1HH1 ARG 70 1.398 -18.808 -0.835 491 HH12 ARG 70 2HH1 ARG 70 1.304 -20.533 -0.720 492 HH21 ARG 70 1HH2 ARG 70 4.601 -20.945 0.383 493 HH22 ARG 70 2HH2 ARG 70 3.123 -21.746 -0.028 494 H HIS 71 H HIS 71 5.143 -13.301 1.513 495 HA HIS 71 HA HIS 71 6.967 -15.486 1.701 496 HB2 HIS 71 2HB HIS 71 7.496 -12.511 1.501 497 HB3 HIS 71 1HB HIS 71 8.708 -13.774 1.308 498 HD1 HIS 71 1HD HIS 71 7.738 -15.644 -0.668 499 HD2 HIS 71 2HD HIS 71 6.717 -11.624 -0.920 500 HE1 HIS 71 1HE HIS 71 7.080 -15.267 -3.065 501 HE2 HIS 71 2HE HIS 71 6.566 -12.805 -3.216 502 H CYS 72 H CYS 72 6.325 -12.638 3.720 503 HA CYS 72 HA CYS 72 8.261 -13.501 5.670 504 HB2 CYS 72 2HB CYS 72 7.568 -11.523 6.916 505 HB3 CYS 72 1HB CYS 72 7.990 -11.155 5.233 506 H LEU 73 H LEU 73 4.701 -13.272 5.533 507 HA LEU 73 HA LEU 73 4.207 -14.161 8.142 508 HB2 LEU 73 2HB LEU 73 1.978 -14.609 7.477 509 HB3 LEU 73 1HB LEU 73 2.503 -13.205 6.573 510 HG LEU 73 HG LEU 73 3.010 -14.881 4.668 511 HD11 LEU 73 1HD1 LEU 73 2.779 -17.010 5.395 512 HD12 LEU 73 2HD1 LEU 73 1.097 -16.729 4.948 513 HD13 LEU 73 3HD1 LEU 73 1.597 -16.578 6.631 514 HD21 LEU 73 3HD2 LEU 73 1.321 -13.472 4.108 515 HD22 LEU 73 1HD2 LEU 73 0.414 -13.792 5.587 516 HD23 LEU 73 2HD2 LEU 73 0.379 -14.954 4.261 517 H GLN 74 H GLN 74 5.276 -15.841 5.316 518 HA GLN 74 HA GLN 74 4.620 -18.477 6.323 519 HB2 GLN 74 2HB GLN 74 4.654 -18.057 3.912 520 HB3 GLN 74 1HB GLN 74 6.349 -17.607 3.998 521 HG2 GLN 74 2HG GLN 74 6.511 -20.056 5.048 522 HG3 GLN 74 1HG GLN 74 5.085 -20.276 4.036 523 HE21 GLN 74 1HE2 GLN 74 8.369 -18.949 3.918 524 HE22 GLN 74 2HE2 GLN 74 8.701 -19.455 2.302 525 H SER 75 H SER 75 7.457 -16.380 6.081 526 HA SER 75 HA SER 75 9.417 -18.183 6.949 527 HB2 SER 75 2HB SER 75 9.994 -16.012 5.976 528 HB3 SER 75 1HB SER 75 9.267 -15.181 7.350 529 HG SER 75 HG SER 75 11.510 -16.925 7.445 530 H ARG 76 H ARG 76 7.179 -16.122 8.757 531 HA ARG 76 HA ARG 76 8.298 -16.954 11.301 532 HB2 ARG 76 2HB ARG 76 6.744 -15.436 12.321 533 HB3 ARG 76 1HB ARG 76 7.487 -14.633 10.947 534 HG2 ARG 76 2HG ARG 76 5.465 -14.130 10.208 535 HG3 ARG 76 1HG ARG 76 5.156 -15.850 9.964 536 HD2 ARG 76 2HD ARG 76 4.815 -15.460 12.696 537 HD3 ARG 76 1HD ARG 76 4.089 -14.034 11.958 538 HE ARG 76 HE ARG 76 3.118 -16.738 11.844 539 HH11 ARG 76 1HH1 ARG 76 3.064 -13.611 10.260 540 HH12 ARG 76 2HH1 ARG 76 1.541 -13.892 9.490 541 HH21 ARG 76 1HH2 ARG 76 1.110 -17.098 10.824 542 HH22 ARG 76 2HH2 ARG 76 0.432 -15.872 9.808 543 H ALA 77 H ALA 77 5.757 -17.961 9.181 544 HA ALA 77 HA ALA 77 4.161 -19.274 11.178 545 HB1 ALA 77 1HB ALA 77 4.171 -19.521 8.170 546 HB2 ALA 77 2HB ALA 77 3.094 -18.526 9.151 547 HB3 ALA 77 3HB ALA 77 2.992 -20.284 9.238 548 H ARG 78 H ARG 78 6.959 -20.116 9.290 549 HA ARG 78 HA ARG 78 6.833 -22.852 9.108 550 HB2 ARG 78 2HB ARG 78 8.810 -20.923 8.768 551 HB3 ARG 78 1HB ARG 78 9.474 -22.009 9.978 552 HG2 ARG 78 2HG ARG 78 9.104 -23.907 8.481 553 HG3 ARG 78 1HG ARG 78 8.442 -22.813 7.265 554 HD2 ARG 78 2HD ARG 78 10.910 -23.535 7.067 555 HD3 ARG 78 1HD ARG 78 10.507 -21.837 6.836 556 HE ARG 78 HE ARG 78 11.962 -23.010 9.070 557 HH11 ARG 78 1HH1 ARG 78 10.468 -20.157 7.685 558 HH12 ARG 78 2HH1 ARG 78 11.281 -19.063 8.751 559 HH21 ARG 78 1HH2 ARG 78 13.038 -21.552 10.466 560 HH22 ARG 78 2HH2 ARG 78 12.742 -19.853 10.322 561 HA PRO 79 HA PRO 79 8.561 -23.460 13.542 562 HB2 PRO 79 2HB PRO 79 8.943 -21.348 15.163 563 HB3 PRO 79 1HB PRO 79 10.148 -21.835 13.965 564 HG2 PRO 79 2HG PRO 79 8.101 -19.653 13.813 565 HG3 PRO 79 1HG PRO 79 9.811 -19.615 13.341 566 HD2 PRO 79 2HD PRO 79 7.773 -19.958 11.565 567 HD3 PRO 79 1HD PRO 79 9.400 -20.621 11.317 568 H ALA 80 H ALA 80 5.951 -23.616 12.915 569 HA ALA 80 HA ALA 80 4.633 -23.500 15.419 570 HB1 ALA 80 1HB ALA 80 4.552 -21.074 14.663 571 HB2 ALA 80 2HB ALA 80 3.012 -21.818 15.091 572 HB3 ALA 80 3HB ALA 80 3.451 -21.613 13.395 Start of MODEL 10 1 H1 ALA 1 1HT ALA 1 -3.531 -1.946 9.107 2 H2 ALA 1 2HT ALA 1 -2.085 -2.174 10.002 3 H3 ALA 1 3HT ALA 1 -3.024 -3.528 9.527 4 HA ALA 1 HA ALA 1 -1.001 -3.143 8.218 5 HB1 ALA 1 2HB ALA 1 -3.066 -4.397 7.467 6 HB2 ALA 1 3HB ALA 1 -2.019 -3.782 6.187 7 HB3 ALA 1 1HB ALA 1 -3.517 -2.938 6.582 8 H ARG 2 H ARG 2 0.313 -1.611 7.492 9 HA ARG 2 HA ARG 2 -0.371 1.106 7.362 10 HB2 ARG 2 2HB ARG 2 1.975 -0.466 6.316 11 HB3 ARG 2 1HB ARG 2 1.848 1.272 6.075 12 HG2 ARG 2 2HG ARG 2 1.631 1.508 8.562 13 HG3 ARG 2 1HG ARG 2 2.021 -0.208 8.687 14 HD2 ARG 2 2HD ARG 2 3.830 1.494 7.074 15 HD3 ARG 2 1HD ARG 2 3.868 1.699 8.821 16 HE ARG 2 HE ARG 2 4.347 -0.723 8.955 17 HH11 ARG 2 1HH1 ARG 2 5.051 0.964 5.953 18 HH12 ARG 2 2HH1 ARG 2 6.272 -0.163 5.474 19 HH21 ARG 2 1HH2 ARG 2 5.963 -2.183 8.308 20 HH22 ARG 2 2HH2 ARG 2 6.782 -1.951 6.798 21 H THR 3 H THR 3 -1.431 2.236 5.873 22 HA THR 3 HA THR 3 -1.331 1.386 3.066 23 HB THR 3 HB THR 3 -3.926 2.348 4.224 24 HG1 THR 3 1HG THR 3 -3.532 0.604 5.512 25 HG21 THR 3 3HG2 THR 3 -3.220 0.571 1.907 26 HG22 THR 3 1HG2 THR 3 -3.903 2.195 1.849 27 HG23 THR 3 2HG2 THR 3 -4.864 0.857 2.478 28 H LYS 4 H LYS 4 -1.485 3.033 1.546 29 HA LYS 4 HA LYS 4 -1.551 5.782 2.614 30 HB2 LYS 4 2HB LYS 4 0.489 4.458 1.050 31 HB3 LYS 4 1HB LYS 4 -0.157 5.835 0.167 32 HG2 LYS 4 2HG LYS 4 0.236 6.742 2.785 33 HG3 LYS 4 1HG LYS 4 1.662 5.780 2.388 34 HD2 LYS 4 2HD LYS 4 2.010 7.094 0.369 35 HD3 LYS 4 1HD LYS 4 0.546 8.024 0.702 36 HE2 LYS 4 2HE LYS 4 1.644 8.646 2.916 37 HE3 LYS 4 1HE LYS 4 3.134 8.000 2.233 38 HZ1 LYS 4 3HZ LYS 4 3.357 10.135 1.577 39 HZ2 LYS 4 1HZ LYS 4 1.694 10.444 1.567 40 HZ3 LYS 4 2HZ LYS 4 2.411 9.620 0.274 41 H GLN 5 H GLN 5 -3.150 6.998 1.842 42 HA GLN 5 HA GLN 5 -4.513 6.121 -0.616 43 HB2 GLN 5 2HB GLN 5 -5.859 6.125 1.472 44 HB3 GLN 5 1HB GLN 5 -5.575 7.854 1.624 45 HG2 GLN 5 2HG GLN 5 -6.597 7.665 -0.903 46 HG3 GLN 5 1HG GLN 5 -7.471 6.396 -0.050 47 HE21 GLN 5 1HE2 GLN 5 -8.827 8.532 -1.045 48 HE22 GLN 5 2HE2 GLN 5 -9.386 9.537 0.246 49 H THR 6 H THR 6 -4.672 7.435 -2.333 50 HA THR 6 HA THR 6 -4.090 10.284 -2.046 51 HB THR 6 HB THR 6 -2.420 10.325 -3.754 52 HG1 THR 6 1HG THR 6 -3.107 8.788 -5.174 53 HG21 THR 6 3HG2 THR 6 -0.629 8.892 -2.912 54 HG22 THR 6 1HG2 THR 6 -1.803 8.014 -1.932 55 HG23 THR 6 2HG2 THR 6 -1.484 9.718 -1.610 56 H ALA 7 H ALA 7 -5.221 11.566 -3.434 57 HA ALA 7 HA ALA 7 -7.008 10.186 -5.323 58 HB1 ALA 7 1HB ALA 7 -7.355 12.910 -4.076 59 HB2 ALA 7 2HB ALA 7 -8.123 11.425 -3.512 60 HB3 ALA 7 3HB ALA 7 -8.513 12.070 -5.106 61 H ARG 8 H ARG 8 -7.484 11.224 -7.362 62 HA ARG 8 HA ARG 8 -5.434 13.122 -8.277 63 HB2 ARG 8 2HB ARG 8 -5.940 10.388 -9.242 64 HB3 ARG 8 1HB ARG 8 -5.854 11.599 -10.513 65 HG2 ARG 8 2HG ARG 8 -3.652 11.353 -10.442 66 HG3 ARG 8 1HG ARG 8 -3.691 12.190 -8.891 67 HD2 ARG 8 2HD ARG 8 -3.830 10.101 -7.706 68 HD3 ARG 8 1HD ARG 8 -3.999 9.208 -9.218 69 HE ARG 8 HE ARG 8 -1.572 10.740 -9.048 70 HH11 ARG 8 1HH1 ARG 8 -3.072 7.681 -8.228 71 HH12 ARG 8 2HH1 ARG 8 -1.572 6.817 -8.189 72 HH21 ARG 8 1HH2 ARG 8 0.401 9.595 -8.979 73 HH22 ARG 8 2HH2 ARG 8 0.397 7.902 -8.611 74 H LYS 9 H LYS 9 -6.213 14.793 -9.407 75 HA LYS 9 HA LYS 9 -9.015 15.138 -9.717 76 HB2 LYS 9 2HB LYS 9 -6.592 16.734 -10.435 77 HB3 LYS 9 1HB LYS 9 -8.134 17.173 -11.155 78 HG2 LYS 9 2HG LYS 9 -8.307 16.759 -8.278 79 HG3 LYS 9 1HG LYS 9 -7.175 18.034 -8.731 80 HD2 LYS 9 2HD LYS 9 -9.194 19.171 -8.529 81 HD3 LYS 9 1HD LYS 9 -9.083 18.866 -10.264 82 HE2 LYS 9 2HE LYS 9 -11.144 18.016 -10.069 83 HE3 LYS 9 1HE LYS 9 -10.351 16.615 -9.355 84 HZ1 LYS 9 3HZ LYS 9 -11.806 18.798 -8.026 85 HZ2 LYS 9 1HZ LYS 9 -10.591 17.979 -7.178 86 HZ3 LYS 9 2HZ LYS 9 -11.922 17.129 -7.783 87 H SER 10 H SER 10 -10.150 15.618 -11.720 88 HA SER 10 HA SER 10 -9.486 13.693 -13.776 89 HB2 SER 10 2HB SER 10 -11.697 14.566 -14.770 90 HB3 SER 10 1HB SER 10 -11.781 13.704 -13.234 91 HG SER 10 HG SER 10 -11.788 16.524 -13.597 92 H THR 11 H THR 11 -8.615 14.112 -15.710 93 HA THR 11 HA THR 11 -7.680 15.204 -17.470 94 HB THR 11 HB THR 11 -9.192 17.723 -16.997 95 HG1 THR 11 1HG THR 11 -10.477 15.283 -17.667 96 HG21 THR 11 3HG2 THR 11 -9.753 16.476 -19.486 97 HG22 THR 11 1HG2 THR 11 -8.012 16.441 -19.209 98 HG23 THR 11 2HG2 THR 11 -8.881 17.974 -19.164 99 H GLY 12 H GLY 12 -6.654 17.551 -18.046 100 HA2 GLY 12 2HA GLY 12 -5.457 19.438 -17.165 101 HA3 GLY 12 1HA GLY 12 -5.319 18.589 -15.635 102 H GLY 13 H GLY 13 -3.043 19.116 -15.721 103 HA2 GLY 13 2HA GLY 13 -1.101 17.573 -15.869 104 HA3 GLY 13 1HA GLY 13 -1.542 17.347 -17.554 105 H SER 14 H SER 14 0.868 18.490 -16.017 106 HA SER 14 HA SER 14 2.489 20.037 -16.383 107 HB2 SER 14 2HB SER 14 0.984 20.024 -18.943 108 HB3 SER 14 1HB SER 14 2.068 21.388 -18.670 109 HG SER 14 HG SER 14 3.561 20.057 -19.310 110 H SER 15 H SER 15 1.963 21.317 -14.611 111 HA SER 15 HA SER 15 0.223 23.626 -15.116 112 HB2 SER 15 2HB SER 15 0.202 21.920 -13.002 113 HB3 SER 15 1HB SER 15 1.249 23.193 -12.379 114 HG SER 15 HG SER 15 -0.428 24.688 -12.942 115 H GLY 16 H GLY 16 3.189 23.012 -13.211 116 HA2 GLY 16 2HA GLY 16 4.536 25.229 -14.520 117 HA3 GLY 16 1HA GLY 16 4.176 25.470 -12.817 118 H SER 17 H SER 17 5.147 24.047 -11.261 119 HA SER 17 HA SER 17 7.254 22.267 -12.172 120 HB2 SER 17 2HB SER 17 7.766 24.910 -10.888 121 HB3 SER 17 1HB SER 17 8.789 23.554 -10.413 122 HG SER 17 HG SER 17 9.503 23.362 -12.478 123 H SER 18 H SER 18 4.796 21.839 -10.768 124 HA SER 18 HA SER 18 5.860 20.820 -8.220 125 HB2 SER 18 2HB SER 18 4.092 22.840 -8.269 126 HB3 SER 18 1HB SER 18 2.965 21.488 -8.352 127 HG SER 18 HG SER 18 3.325 21.909 -6.206 128 H GLN 19 H GLN 19 6.147 18.724 -8.790 129 HA GLN 19 HA GLN 19 3.981 17.295 -10.143 130 HB2 GLN 19 2HB GLN 19 6.893 16.883 -9.815 131 HB3 GLN 19 1HB GLN 19 5.912 15.424 -9.837 132 HG2 GLN 19 2HG GLN 19 5.152 15.827 -12.005 133 HG3 GLN 19 1HG GLN 19 5.639 17.520 -11.959 134 HE21 GLN 19 1HE2 GLN 19 6.750 14.222 -12.250 135 HE22 GLN 19 2HE2 GLN 19 8.299 14.596 -12.917 136 H SER 20 H SER 20 5.625 17.492 -7.057 137 HA SER 20 HA SER 20 5.218 16.582 -5.022 138 HB2 SER 20 2HB SER 20 2.758 17.223 -5.994 139 HB3 SER 20 1HB SER 20 2.554 15.497 -5.693 140 HG SER 20 HG SER 20 2.099 16.985 -3.886 141 H LEU 21 H LEU 21 6.518 14.954 -6.985 142 HA LEU 21 HA LEU 21 5.478 12.284 -6.845 143 HB2 LEU 21 2HB LEU 21 7.710 13.650 -8.124 144 HB3 LEU 21 1HB LEU 21 8.169 12.077 -7.499 145 HG LEU 21 HG LEU 21 5.859 12.555 -9.386 146 HD11 LEU 21 1HD1 LEU 21 7.610 11.167 -10.843 147 HD12 LEU 21 2HD1 LEU 21 8.742 12.066 -9.831 148 HD13 LEU 21 3HD1 LEU 21 7.567 12.929 -10.824 149 HD21 LEU 21 3HD2 LEU 21 7.172 9.917 -8.916 150 HD22 LEU 21 1HD2 LEU 21 5.531 10.280 -9.449 151 HD23 LEU 21 2HD2 LEU 21 5.978 10.503 -7.758 152 H ILE 22 H ILE 22 7.800 14.181 -5.017 153 HA ILE 22 HA ILE 22 8.626 11.860 -3.463 154 HB ILE 22 HB ILE 22 10.354 13.456 -4.137 155 HG12 ILE 22 2HG1 ILE 22 10.620 14.060 -1.346 156 HG13 ILE 22 1HG1 ILE 22 9.907 12.450 -1.516 157 HG21 ILE 22 1HG2 ILE 22 10.273 15.674 -3.844 158 HG22 ILE 22 2HG2 ILE 22 9.594 15.540 -2.221 159 HG23 ILE 22 3HG2 ILE 22 8.542 15.414 -3.630 160 HD11 ILE 22 3HD1 ILE 22 12.245 12.161 -1.413 161 HD12 ILE 22 1HD1 ILE 22 12.531 13.438 -2.596 162 HD13 ILE 22 2HD1 ILE 22 11.789 11.919 -3.100 163 H ASP 23 H ASP 23 7.239 11.210 -1.984 164 HA ASP 23 HA ASP 23 6.535 12.928 0.212 165 HB2 ASP 23 2HB ASP 23 4.777 13.474 -1.475 166 HB3 ASP 23 1HB ASP 23 4.291 11.784 -1.478 167 H GLU 24 H GLU 24 7.969 10.390 -0.328 168 HA GLU 24 HA GLU 24 8.290 8.353 0.599 169 HB2 GLU 24 2HB GLU 24 6.346 9.372 2.675 170 HB3 GLU 24 1HB GLU 24 7.399 7.976 2.862 171 HG2 GLU 24 2HG GLU 24 8.506 10.693 2.257 172 HG3 GLU 24 1HG GLU 24 8.122 10.204 3.905 173 H ASP 25 H ASP 25 5.959 8.788 -1.289 174 HA ASP 25 HA ASP 25 3.864 7.037 -0.529 175 HB2 ASP 25 2HB ASP 25 4.755 7.891 -3.293 176 HB3 ASP 25 1HB ASP 25 3.226 7.113 -2.914 177 H ALA 26 H ALA 26 3.313 5.088 -1.975 178 HA ALA 26 HA ALA 26 5.682 3.340 -2.124 179 HB1 ALA 26 1HB ALA 26 4.462 1.987 -0.833 180 HB2 ALA 26 2HB ALA 26 3.446 1.702 -2.242 181 HB3 ALA 26 3HB ALA 26 3.002 2.947 -1.076 182 H VAL 27 H VAL 27 5.202 1.418 -3.761 183 HA VAL 27 HA VAL 27 4.036 2.528 -6.226 184 HB VAL 27 HB VAL 27 5.913 1.334 -7.478 185 HG11 VAL 27 1HG1 VAL 27 6.239 3.845 -5.887 186 HG12 VAL 27 2HG1 VAL 27 5.982 3.642 -7.621 187 HG13 VAL 27 3HG1 VAL 27 7.553 3.265 -6.912 188 HG21 VAL 27 3HG2 VAL 27 6.605 0.370 -5.033 189 HG22 VAL 27 1HG2 VAL 27 7.725 1.724 -5.200 190 HG23 VAL 27 2HG2 VAL 27 7.689 0.451 -6.420 191 H CYS 28 H CYS 28 2.372 1.256 -6.739 192 HA CYS 28 HA CYS 28 2.069 -1.392 -5.818 193 HB2 CYS 28 2HB CYS 28 0.116 -0.091 -6.253 194 HB3 CYS 28 1HB CYS 28 0.595 0.163 -7.937 195 H SER 29 H SER 29 1.989 -3.354 -6.973 196 HA SER 29 HA SER 29 3.809 -3.423 -9.283 197 HB2 SER 29 2HB SER 29 3.312 -5.274 -7.002 198 HB3 SER 29 1HB SER 29 3.788 -5.980 -8.547 199 HG SER 29 HG SER 29 5.679 -5.550 -7.575 200 H ILE 30 H ILE 30 0.587 -4.349 -8.198 201 HA ILE 30 HA ILE 30 0.016 -6.145 -10.323 202 HB ILE 30 HB ILE 30 -1.710 -4.611 -8.397 203 HG12 ILE 30 2HG1 ILE 30 -2.326 -7.276 -8.197 204 HG13 ILE 30 1HG1 ILE 30 -0.616 -7.333 -8.647 205 HG21 ILE 30 1HG2 ILE 30 -3.672 -5.825 -9.315 206 HG22 ILE 30 2HG2 ILE 30 -2.671 -6.345 -10.671 207 HG23 ILE 30 3HG2 ILE 30 -3.002 -4.629 -10.428 208 HD11 ILE 30 3HD1 ILE 30 -1.242 -5.412 -6.529 209 HD12 ILE 30 1HD1 ILE 30 0.047 -6.609 -6.640 210 HD13 ILE 30 2HD1 ILE 30 -1.563 -7.096 -6.114 211 H CYS 31 H CYS 31 -0.187 -2.662 -9.971 212 HA CYS 31 HA CYS 31 -0.943 -2.473 -12.797 213 HB2 CYS 31 2HB CYS 31 -2.617 -0.886 -12.393 214 HB3 CYS 31 1HB CYS 31 -2.845 -2.072 -11.105 215 H MET 32 H MET 32 -0.131 -0.696 -13.925 216 HA MET 32 HA MET 32 2.175 0.594 -12.645 217 HB2 MET 32 2HB MET 32 1.903 -0.670 -15.099 218 HB3 MET 32 1HB MET 32 1.847 1.035 -15.519 219 HG2 MET 32 2HG MET 32 3.956 1.070 -13.879 220 HG3 MET 32 1HG MET 32 4.072 -0.589 -14.461 221 HE1 MET 32 3HE MET 32 2.754 2.533 -16.822 222 HE2 MET 32 1HE MET 32 4.362 3.248 -16.944 223 HE3 MET 32 2HE MET 32 3.604 3.044 -15.364 224 H ASP 33 H ASP 33 -0.287 1.593 -11.883 225 HA ASP 33 HA ASP 33 -1.495 3.494 -11.658 226 HB2 ASP 33 2HB ASP 33 1.213 4.387 -12.397 227 HB3 ASP 33 1HB ASP 33 -0.058 5.582 -12.698 228 H GLY 34 H GLY 34 -1.853 1.931 -14.091 229 HA2 GLY 34 2HA GLY 34 -2.567 4.033 -16.033 230 HA3 GLY 34 1HA GLY 34 -2.367 2.319 -16.410 231 H GLU 35 H GLU 35 -4.164 3.641 -13.670 232 HA GLU 35 HA GLU 35 -6.587 2.360 -14.725 233 HB2 GLU 35 2HB GLU 35 -6.180 3.373 -11.909 234 HB3 GLU 35 1HB GLU 35 -7.391 2.236 -12.485 235 HG2 GLU 35 2HG GLU 35 -4.431 1.742 -12.255 236 HG3 GLU 35 1HG GLU 35 -5.698 1.077 -11.227 237 H SER 36 H SER 36 -8.631 3.583 -13.622 238 HA SER 36 HA SER 36 -8.349 6.459 -14.191 239 HB2 SER 36 2HB SER 36 -10.837 4.961 -14.973 240 HB3 SER 36 1HB SER 36 -10.243 6.509 -15.572 241 HG SER 36 HG SER 36 -9.181 5.474 -17.053 242 H GLN 37 H GLN 37 -8.326 5.201 -11.629 243 HA GLN 37 HA GLN 37 -10.973 5.704 -10.504 244 HB2 GLN 37 2HB GLN 37 -8.842 3.952 -9.857 245 HB3 GLN 37 1HB GLN 37 -9.003 5.078 -8.506 246 HG2 GLN 37 2HG GLN 37 -11.148 3.300 -9.651 247 HG3 GLN 37 1HG GLN 37 -10.339 3.127 -8.096 248 HE21 GLN 37 1HE2 GLN 37 -10.876 4.527 -6.406 249 HE22 GLN 37 2HE2 GLN 37 -12.312 5.487 -6.436 250 H ASN 38 H ASN 38 -11.394 7.239 -8.912 251 HA ASN 38 HA ASN 38 -9.835 9.638 -9.077 252 HB2 ASN 38 2HB ASN 38 -12.481 8.934 -8.262 253 HB3 ASN 38 1HB ASN 38 -11.714 9.804 -6.937 254 HD21 ASN 38 1HD2 ASN 38 -13.355 11.421 -7.406 255 HD22 ASN 38 2HD2 ASN 38 -13.063 12.578 -8.655 256 H SER 39 H SER 39 -10.247 7.069 -6.697 257 HA SER 39 HA SER 39 -7.967 8.155 -5.205 258 HB2 SER 39 2HB SER 39 -10.462 8.492 -4.215 259 HB3 SER 39 1HB SER 39 -10.080 6.897 -3.551 260 HG SER 39 HG SER 39 -8.667 9.327 -3.192 261 H ASN 40 H ASN 40 -6.808 6.579 -3.941 262 HA ASN 40 HA ASN 40 -7.461 3.769 -4.337 263 HB2 ASN 40 2HB ASN 40 -5.445 3.172 -5.450 264 HB3 ASN 40 1HB ASN 40 -6.090 4.554 -6.331 265 HD21 ASN 40 1HD2 ASN 40 -5.231 6.715 -5.546 266 HD22 ASN 40 2HD2 ASN 40 -3.539 6.786 -5.204 267 H VAL 41 H VAL 41 -5.874 2.332 -3.158 268 HA VAL 41 HA VAL 41 -4.509 3.683 -0.943 269 HB VAL 41 HB VAL 41 -5.416 1.916 0.631 270 HG11 VAL 41 1HG1 VAL 41 -7.800 3.157 0.552 271 HG12 VAL 41 2HG1 VAL 41 -6.849 4.256 -0.445 272 HG13 VAL 41 3HG1 VAL 41 -6.335 3.894 1.202 273 HG21 VAL 41 3HG2 VAL 41 -7.228 1.464 -1.716 274 HG22 VAL 41 1HG2 VAL 41 -7.744 1.110 -0.068 275 HG23 VAL 41 2HG2 VAL 41 -6.346 0.281 -0.751 276 H ILE 42 H ILE 42 -2.453 3.059 -1.239 277 HA ILE 42 HA ILE 42 -1.839 0.386 -2.200 278 HB ILE 42 HB ILE 42 -0.611 2.438 -3.004 279 HG12 ILE 42 2HG1 ILE 42 1.678 0.985 -2.123 280 HG13 ILE 42 1HG1 ILE 42 0.367 -0.174 -2.382 281 HG21 ILE 42 1HG2 ILE 42 -0.380 3.525 -0.806 282 HG22 ILE 42 2HG2 ILE 42 1.157 3.369 -1.656 283 HG23 ILE 42 3HG2 ILE 42 0.768 2.273 -0.331 284 HD11 ILE 42 3HD1 ILE 42 0.179 1.372 -4.608 285 HD12 ILE 42 1HD1 ILE 42 1.064 -0.147 -4.499 286 HD13 ILE 42 2HD1 ILE 42 1.916 1.385 -4.306 287 H LEU 43 H LEU 43 -0.784 -1.212 -1.038 288 HA LEU 43 HA LEU 43 -0.632 -0.766 1.870 289 HB2 LEU 43 2HB LEU 43 -1.232 -3.280 0.318 290 HB3 LEU 43 1HB LEU 43 -0.964 -3.238 2.051 291 HG LEU 43 HG LEU 43 -3.144 -1.655 0.709 292 HD11 LEU 43 1HD1 LEU 43 -3.035 -4.509 1.472 293 HD12 LEU 43 2HD1 LEU 43 -3.967 -3.702 0.210 294 HD13 LEU 43 3HD1 LEU 43 -4.498 -3.616 1.890 295 HD21 LEU 43 3HD2 LEU 43 -3.011 -2.610 3.548 296 HD22 LEU 43 1HD2 LEU 43 -3.998 -1.323 2.856 297 HD23 LEU 43 2HD2 LEU 43 -2.259 -1.096 3.043 298 H PHE 44 H PHE 44 1.234 -1.064 2.873 299 HA PHE 44 HA PHE 44 3.484 -2.187 1.339 300 HB2 PHE 44 2HB PHE 44 3.237 0.243 2.692 301 HB3 PHE 44 1HB PHE 44 4.212 -0.754 3.764 302 HD1 PHE 44 1HD PHE 44 3.999 -0.082 0.097 303 HD2 PHE 44 2HD PHE 44 6.470 -0.497 3.535 304 HE1 PHE 44 1HE PHE 44 5.984 0.425 -1.269 305 HE2 PHE 44 2HE PHE 44 8.457 0.007 2.176 306 HZ PHE 44 HZ PHE 44 8.215 0.470 -0.229 307 H CYS 45 H CYS 45 4.574 -3.950 2.109 308 HA CYS 45 HA CYS 45 3.418 -5.527 4.135 309 HB2 CYS 45 2HB CYS 45 4.932 -6.354 2.277 310 HB3 CYS 45 1HB CYS 45 6.292 -5.747 3.234 311 H ASP 46 H ASP 46 4.082 -6.006 6.255 312 HA ASP 46 HA ASP 46 5.230 -3.749 7.619 313 HB2 ASP 46 2HB ASP 46 3.355 -5.656 8.309 314 HB3 ASP 46 1HB ASP 46 4.760 -6.092 9.289 315 H MET 47 H MET 47 6.529 -6.582 6.250 316 HA MET 47 HA MET 47 8.991 -6.166 7.822 317 HB2 MET 47 2HB MET 47 7.981 -8.855 6.859 318 HB3 MET 47 1HB MET 47 9.462 -8.553 7.765 319 HG2 MET 47 2HG MET 47 6.880 -7.708 8.968 320 HG3 MET 47 1HG MET 47 7.268 -9.428 8.929 321 HE1 MET 47 3HE MET 47 7.089 -9.402 11.630 322 HE2 MET 47 1HE MET 47 6.762 -7.671 11.584 323 HE3 MET 47 2HE MET 47 8.024 -8.301 12.641 324 H CYS 48 H CYS 48 7.718 -5.498 5.052 325 HA CYS 48 HA CYS 48 10.160 -5.868 3.535 326 HB2 CYS 48 2HB CYS 48 7.479 -6.861 2.537 327 HB3 CYS 48 1HB CYS 48 8.996 -6.884 1.653 328 H ASN 49 H ASN 49 9.384 -5.058 1.091 329 HA ASN 49 HA ASN 49 8.215 -2.397 1.540 330 HB2 ASN 49 2HB ASN 49 9.502 -1.682 -0.467 331 HB3 ASN 49 1HB ASN 49 10.533 -2.226 0.863 332 HD21 ASN 49 1HD2 ASN 49 11.947 -3.828 0.500 333 HD22 ASN 49 2HD2 ASN 49 12.059 -4.736 -0.964 334 H LEU 50 H LEU 50 7.207 -5.269 0.550 335 HA LEU 50 HA LEU 50 6.237 -5.044 -2.036 336 HB2 LEU 50 2HB LEU 50 6.161 -7.020 -0.349 337 HB3 LEU 50 1HB LEU 50 4.615 -6.331 0.140 338 HG LEU 50 HG LEU 50 4.282 -8.133 -1.452 339 HD11 LEU 50 1HD1 LEU 50 2.819 -6.083 -1.471 340 HD12 LEU 50 2HD1 LEU 50 2.801 -7.057 -2.940 341 HD13 LEU 50 3HD1 LEU 50 3.726 -5.557 -2.889 342 HD21 LEU 50 3HD2 LEU 50 5.207 -8.229 -3.594 343 HD22 LEU 50 1HD2 LEU 50 6.551 -7.740 -2.563 344 HD23 LEU 50 2HD2 LEU 50 5.716 -6.541 -3.549 345 H ALA 51 H ALA 51 5.163 -3.368 -2.819 346 HA ALA 51 HA ALA 51 3.030 -2.175 -1.187 347 HB1 ALA 51 1HB ALA 51 3.843 -0.592 -3.475 348 HB2 ALA 51 2HB ALA 51 5.186 -0.939 -2.387 349 HB3 ALA 51 3HB ALA 51 3.735 -0.150 -1.772 350 H VAL 52 H VAL 52 1.064 -2.878 -1.787 351 HA VAL 52 HA VAL 52 0.353 -2.796 -4.619 352 HB VAL 52 HB VAL 52 -0.791 -4.996 -4.510 353 HG11 VAL 52 1HG1 VAL 52 1.318 -4.892 -5.630 354 HG12 VAL 52 2HG1 VAL 52 1.276 -6.379 -4.683 355 HG13 VAL 52 3HG1 VAL 52 2.193 -4.990 -4.104 356 HG21 VAL 52 3HG2 VAL 52 0.303 -4.939 -1.768 357 HG22 VAL 52 1HG2 VAL 52 0.406 -6.482 -2.617 358 HG23 VAL 52 2HG2 VAL 52 -1.159 -5.701 -2.395 359 H HIS 53 H HIS 53 -1.696 -2.043 -4.945 360 HA HIS 53 HA HIS 53 -3.155 -0.966 -2.791 361 HB2 HIS 53 2HB HIS 53 -4.238 -1.641 -5.536 362 HB3 HIS 53 1HB HIS 53 -4.942 -0.517 -4.386 363 HD2 HIS 53 2HD HIS 53 -3.253 1.816 -3.924 364 HE1 HIS 53 1HE HIS 53 -1.540 1.441 -7.775 365 HE2 HIS 53 2HE HIS 53 -2.045 3.034 -5.869 366 H GLN 54 H GLN 54 -4.976 -1.664 -1.679 367 HA GLN 54 HA GLN 54 -5.273 -4.447 -1.289 368 HB2 GLN 54 2HB GLN 54 -7.128 -3.895 0.173 369 HB3 GLN 54 1HB GLN 54 -5.804 -2.773 0.443 370 HG2 GLN 54 2HG GLN 54 -7.307 -1.154 0.264 371 HG3 GLN 54 1HG GLN 54 -7.336 -1.503 -1.471 372 HE21 GLN 54 1HE2 GLN 54 -8.910 -2.130 1.606 373 HE22 GLN 54 2HE2 GLN 54 -10.429 -2.614 0.943 374 H GLU 55 H GLU 55 -6.608 -2.341 -3.632 375 HA GLU 55 HA GLU 55 -8.872 -4.069 -4.242 376 HB2 GLU 55 2HB GLU 55 -8.887 -1.494 -4.345 377 HB3 GLU 55 1HB GLU 55 -7.965 -1.677 -5.831 378 HG2 GLU 55 2HG GLU 55 -9.971 -3.325 -6.402 379 HG3 GLU 55 1HG GLU 55 -10.808 -2.264 -5.270 380 H CYS 56 H CYS 56 -5.654 -3.368 -5.227 381 HA CYS 56 HA CYS 56 -5.758 -4.596 -7.804 382 HB2 CYS 56 2HB CYS 56 -3.905 -3.060 -6.217 383 HB3 CYS 56 1HB CYS 56 -3.111 -4.465 -6.867 384 H TYR 57 H TYR 57 -4.728 -5.509 -4.549 385 HA TYR 57 HA TYR 57 -3.785 -8.089 -5.414 386 HB2 TYR 57 2HB TYR 57 -2.777 -6.781 -3.500 387 HB3 TYR 57 1HB TYR 57 -4.225 -7.165 -2.574 388 HD1 TYR 57 2HD TYR 57 -1.364 -8.720 -4.371 389 HD2 TYR 57 1HD TYR 57 -4.398 -9.206 -1.426 390 HE1 TYR 57 2HE TYR 57 -0.354 -10.856 -3.687 391 HE2 TYR 57 1HE TYR 57 -3.395 -11.340 -0.735 392 HH TYR 57 HH TYR 57 -1.041 -12.388 -0.844 393 H GLY 58 H GLY 58 -6.668 -6.753 -3.919 394 HA2 GLY 58 2HA GLY 58 -8.802 -7.789 -4.186 395 HA3 GLY 58 1HA GLY 58 -7.992 -9.357 -4.283 396 H VAL 59 H VAL 59 -7.304 -6.903 -1.851 397 HA VAL 59 HA VAL 59 -7.724 -8.779 0.268 398 HB VAL 59 HB VAL 59 -7.267 -5.800 0.501 399 HG11 VAL 59 1HG1 VAL 59 -6.494 -7.926 2.474 400 HG12 VAL 59 2HG1 VAL 59 -8.073 -7.146 2.511 401 HG13 VAL 59 3HG1 VAL 59 -6.611 -6.183 2.718 402 HG21 VAL 59 3HG2 VAL 59 -4.853 -6.836 1.011 403 HG22 VAL 59 1HG2 VAL 59 -5.352 -6.321 -0.600 404 HG23 VAL 59 2HG2 VAL 59 -5.429 -8.025 -0.156 405 HA PRO 60 HA PRO 60 -12.060 -7.999 0.867 406 HB2 PRO 60 2HB PRO 60 -12.300 -9.019 3.385 407 HB3 PRO 60 1HB PRO 60 -12.186 -10.022 1.931 408 HG2 PRO 60 2HG PRO 60 -10.048 -9.274 3.892 409 HG3 PRO 60 1HG PRO 60 -10.379 -10.848 3.145 410 HD2 PRO 60 2HD PRO 60 -8.411 -9.231 2.263 411 HD3 PRO 60 1HD PRO 60 -9.344 -10.266 1.163 412 H TYR 61 H TYR 61 -9.811 -7.121 3.486 413 HA TYR 61 HA TYR 61 -11.038 -4.519 3.702 414 HB2 TYR 61 2HB TYR 61 -11.223 -4.876 6.289 415 HB3 TYR 61 1HB TYR 61 -12.536 -5.402 5.230 416 HD1 TYR 61 1HD TYR 61 -9.352 -7.267 5.587 417 HD2 TYR 61 2HD TYR 61 -13.436 -6.999 6.740 418 HE1 TYR 61 1HE TYR 61 -9.224 -9.527 6.539 419 HE2 TYR 61 2HE TYR 61 -13.321 -9.264 7.696 420 HH TYR 61 HH TYR 61 -11.767 -11.392 7.215 421 H ILE 62 H ILE 62 -9.954 -3.448 5.850 422 HA ILE 62 HA ILE 62 -7.072 -4.031 5.620 423 HB ILE 62 HB ILE 62 -8.338 -1.329 6.100 424 HG12 ILE 62 2HG1 ILE 62 -6.739 -2.152 3.683 425 HG13 ILE 62 1HG1 ILE 62 -8.481 -2.399 3.749 426 HG21 ILE 62 1HG2 ILE 62 -6.311 -1.162 7.177 427 HG22 ILE 62 2HG2 ILE 62 -5.867 -0.671 5.541 428 HG23 ILE 62 3HG2 ILE 62 -5.520 -2.308 6.094 429 HD11 ILE 62 3HD1 ILE 62 -8.061 -0.364 2.600 430 HD12 ILE 62 1HD1 ILE 62 -6.997 0.210 3.883 431 HD13 ILE 62 2HD1 ILE 62 -8.728 0.046 4.181 432 HA PRO 63 HA PRO 63 -7.873 -4.866 10.014 433 HB2 PRO 63 2HB PRO 63 -5.501 -6.147 10.425 434 HB3 PRO 63 1HB PRO 63 -6.931 -6.940 9.737 435 HG2 PRO 63 2HG PRO 63 -4.530 -5.811 8.345 436 HG3 PRO 63 1HG PRO 63 -5.391 -7.331 8.039 437 HD2 PRO 63 2HD PRO 63 -5.757 -5.134 6.515 438 HD3 PRO 63 1HD PRO 63 -7.067 -6.287 6.844 439 H GLU 64 H GLU 64 -6.743 -4.274 12.000 440 HA GLU 64 HA GLU 64 -5.064 -1.897 11.598 441 HB2 GLU 64 2HB GLU 64 -6.627 -2.723 14.049 442 HB3 GLU 64 1HB GLU 64 -5.774 -1.203 13.823 443 HG2 GLU 64 2HG GLU 64 -7.293 -0.588 12.034 444 HG3 GLU 64 1HG GLU 64 -8.125 -2.134 12.189 445 H GLY 65 H GLY 65 -3.824 -4.426 11.384 446 HA2 GLY 65 2HA GLY 65 -2.062 -4.330 13.748 447 HA3 GLY 65 1HA GLY 65 -2.613 -5.867 13.098 448 H GLN 66 H GLN 66 -0.705 -6.724 12.437 449 HA GLN 66 HA GLN 66 1.082 -5.134 10.759 450 HB2 GLN 66 2HB GLN 66 1.508 -7.985 11.641 451 HB3 GLN 66 1HB GLN 66 2.714 -6.830 11.093 452 HG2 GLN 66 2HG GLN 66 1.494 -5.660 13.331 453 HG3 GLN 66 1HG GLN 66 1.758 -7.352 13.746 454 HE21 GLN 66 1HE2 GLN 66 4.096 -7.753 12.191 455 HE22 GLN 66 2HE2 GLN 66 5.376 -6.861 12.931 456 H TRP 67 H TRP 67 1.418 -5.490 8.608 457 HA TRP 67 HA TRP 67 -0.317 -7.488 7.328 458 HB2 TRP 67 2HB TRP 67 -0.520 -4.993 6.758 459 HB3 TRP 67 1HB TRP 67 1.010 -5.185 5.907 460 HD1 TRP 67 HD TRP 67 -2.320 -7.205 5.922 461 HE1 TRP 67 1HE TRP 67 -2.950 -7.704 3.478 462 HE3 TRP 67 3HE TRP 67 1.598 -4.896 3.584 463 HZ2 TRP 67 2HZ TRP 67 -1.924 -7.187 0.900 464 HZ3 TRP 67 3HZ TRP 67 1.699 -4.945 1.125 465 HH2 TRP 67 HH TRP 67 -0.027 -6.068 -0.186 466 H LEU 68 H LEU 68 0.496 -9.090 6.108 467 HA LEU 68 HA LEU 68 3.419 -9.144 5.651 468 HB2 LEU 68 2HB LEU 68 1.485 -11.328 6.407 469 HB3 LEU 68 1HB LEU 68 3.012 -11.701 5.627 470 HG LEU 68 HG LEU 68 3.009 -11.942 8.120 471 HD11 LEU 68 1HD1 LEU 68 5.162 -10.656 8.421 472 HD12 LEU 68 2HD1 LEU 68 4.921 -10.048 6.784 473 HD13 LEU 68 3HD1 LEU 68 5.110 -11.779 7.062 474 HD21 LEU 68 3HD2 LEU 68 3.182 -8.967 8.314 475 HD22 LEU 68 1HD2 LEU 68 2.806 -10.155 9.562 476 HD23 LEU 68 2HD2 LEU 68 1.605 -9.754 8.334 477 H CYS 69 H CYS 69 4.152 -9.895 3.650 478 HA CYS 69 HA CYS 69 2.242 -9.677 1.491 479 HB2 CYS 69 2HB CYS 69 4.227 -9.873 0.010 480 HB3 CYS 69 1HB CYS 69 4.391 -8.584 1.209 481 H ARG 70 H ARG 70 2.500 -11.306 -0.389 482 HA ARG 70 HA ARG 70 1.577 -13.806 0.484 483 HB2 ARG 70 2HB ARG 70 1.692 -14.500 -1.843 484 HB3 ARG 70 1HB ARG 70 1.024 -12.881 -1.709 485 HG2 ARG 70 2HG ARG 70 3.787 -12.543 -2.037 486 HG3 ARG 70 1HG ARG 70 3.307 -13.797 -3.182 487 HD2 ARG 70 2HD ARG 70 1.684 -12.371 -4.184 488 HD3 ARG 70 1HD ARG 70 1.860 -11.170 -2.903 489 HE ARG 70 HE ARG 70 4.307 -11.648 -4.305 490 HH11 ARG 70 1HH1 ARG 70 1.284 -9.882 -4.444 491 HH12 ARG 70 2HH1 ARG 70 1.922 -8.629 -5.453 492 HH21 ARG 70 1HH2 ARG 70 5.139 -9.994 -5.630 493 HH22 ARG 70 2HH2 ARG 70 4.111 -8.692 -6.125 494 H HIS 71 H HIS 71 4.811 -12.683 -0.059 495 HA HIS 71 HA HIS 71 5.952 -15.358 -0.181 496 HB2 HIS 71 2HB HIS 71 6.804 -12.829 -1.031 497 HB3 HIS 71 1HB HIS 71 7.841 -13.205 0.338 498 HD1 HIS 71 1HD HIS 71 8.399 -16.138 -0.035 499 HD2 HIS 71 2HD HIS 71 8.292 -13.447 -3.199 500 HE1 HIS 71 1HE HIS 71 9.779 -17.187 -1.857 501 HE2 HIS 71 2HE HIS 71 9.626 -15.582 -3.794 502 H CYS 72 H CYS 72 5.351 -12.776 2.018 503 HA CYS 72 HA CYS 72 7.004 -13.559 4.167 504 HB2 CYS 72 2HB CYS 72 5.083 -11.537 3.517 505 HB3 CYS 72 1HB CYS 72 4.701 -12.201 5.098 506 H LEU 73 H LEU 73 3.470 -13.796 3.729 507 HA LEU 73 HA LEU 73 2.978 -15.442 5.941 508 HB2 LEU 73 2HB LEU 73 0.839 -16.005 4.820 509 HB3 LEU 73 1HB LEU 73 1.157 -14.285 4.913 510 HG LEU 73 HG LEU 73 2.154 -14.808 2.454 511 HD11 LEU 73 1HD1 LEU 73 -0.304 -16.499 2.452 512 HD12 LEU 73 2HD1 LEU 73 1.252 -17.221 2.866 513 HD13 LEU 73 3HD1 LEU 73 1.030 -16.444 1.299 514 HD21 LEU 73 3HD2 LEU 73 -0.510 -13.942 3.458 515 HD22 LEU 73 1HD2 LEU 73 -0.300 -14.192 1.725 516 HD23 LEU 73 2HD2 LEU 73 0.717 -13.034 2.579 517 H GLN 74 H GLN 74 3.728 -16.267 2.571 518 HA GLN 74 HA GLN 74 3.308 -19.043 2.783 519 HB2 GLN 74 2HB GLN 74 3.669 -17.667 0.661 520 HB3 GLN 74 1HB GLN 74 5.389 -17.768 1.008 521 HG2 GLN 74 2HG GLN 74 5.378 -19.644 -0.180 522 HG3 GLN 74 1HG GLN 74 4.559 -20.385 1.195 523 HE21 GLN 74 1HE2 GLN 74 2.061 -19.300 1.038 524 HE22 GLN 74 2HE2 GLN 74 1.291 -19.802 -0.424 525 H SER 75 H SER 75 5.982 -16.998 3.735 526 HA SER 75 HA SER 75 7.854 -19.135 4.138 527 HB2 SER 75 2HB SER 75 8.432 -16.688 3.689 528 HB3 SER 75 1HB SER 75 7.998 -16.381 5.370 529 HG SER 75 HG SER 75 10.303 -17.249 4.440 530 H ARG 76 H ARG 76 5.940 -17.058 6.325 531 HA ARG 76 HA ARG 76 6.732 -18.429 8.685 532 HB2 ARG 76 2HB ARG 76 5.550 -16.056 8.257 533 HB3 ARG 76 1HB ARG 76 4.127 -17.007 8.665 534 HG2 ARG 76 2HG ARG 76 5.063 -17.597 10.795 535 HG3 ARG 76 1HG ARG 76 6.594 -16.824 10.382 536 HD2 ARG 76 2HD ARG 76 5.806 -14.743 10.776 537 HD3 ARG 76 1HD ARG 76 4.192 -15.125 10.175 538 HE ARG 76 HE ARG 76 4.357 -16.501 12.515 539 HH11 ARG 76 1HH1 ARG 76 4.835 -13.140 11.647 540 HH12 ARG 76 2HH1 ARG 76 4.331 -12.542 13.191 541 HH21 ARG 76 1HH2 ARG 76 3.689 -15.705 14.545 542 HH22 ARG 76 2HH2 ARG 76 3.680 -13.999 14.836 543 H ALA 77 H ALA 77 4.070 -18.858 6.427 544 HA ALA 77 HA ALA 77 2.626 -20.702 8.089 545 HB1 ALA 77 1HB ALA 77 1.307 -21.130 6.006 546 HB2 ALA 77 2HB ALA 77 2.379 -20.007 5.168 547 HB3 ALA 77 3HB ALA 77 1.372 -19.437 6.499 548 H ARG 78 H ARG 78 5.322 -20.969 5.959 549 HA ARG 78 HA ARG 78 5.120 -23.503 4.908 550 HB2 ARG 78 2HB ARG 78 6.960 -22.061 4.323 551 HB3 ARG 78 1HB ARG 78 7.564 -22.077 5.972 552 HG2 ARG 78 2HG ARG 78 7.957 -24.534 5.710 553 HG3 ARG 78 1HG ARG 78 7.550 -24.350 4.004 554 HD2 ARG 78 2HD ARG 78 9.362 -22.401 4.211 555 HD3 ARG 78 1HD ARG 78 9.944 -23.447 5.503 556 HE ARG 78 HE ARG 78 10.097 -23.931 2.678 557 HH11 ARG 78 1HH1 ARG 78 10.025 -25.457 5.830 558 HH12 ARG 78 2HH1 ARG 78 10.831 -26.891 5.293 559 HH21 ARG 78 1HH2 ARG 78 11.157 -25.823 1.974 560 HH22 ARG 78 2HH2 ARG 78 11.475 -27.099 3.100 561 HA PRO 79 HA PRO 79 7.050 -25.425 8.931 562 HB2 PRO 79 2HB PRO 79 6.899 -23.892 11.191 563 HB3 PRO 79 1HB PRO 79 8.318 -23.959 10.141 564 HG2 PRO 79 2HG PRO 79 6.138 -21.915 10.256 565 HG3 PRO 79 1HG PRO 79 7.886 -21.680 10.069 566 HD2 PRO 79 2HD PRO 79 6.193 -21.538 7.980 567 HD3 PRO 79 1HD PRO 79 7.841 -22.176 7.814 568 H ALA 80 H ALA 80 4.435 -23.089 9.635 569 HA ALA 80 HA ALA 80 2.944 -25.224 10.995 570 HB1 ALA 80 1HB ALA 80 2.126 -22.338 10.924 571 HB2 ALA 80 2HB ALA 80 3.352 -22.920 12.049 572 HB3 ALA 80 3HB ALA 80 1.717 -23.577 12.108 Start of MODEL 11 1 H1 ALA 1 1HT ALA 1 -2.477 -1.931 9.217 2 H2 ALA 1 2HT ALA 1 -0.984 -1.499 9.946 3 H3 ALA 1 3HT ALA 1 -1.399 -3.151 9.753 4 HA ALA 1 HA ALA 1 0.173 -2.612 8.134 5 HB1 ALA 1 2HB ALA 1 -2.364 -3.623 7.580 6 HB2 ALA 1 3HB ALA 1 -0.907 -3.811 6.606 7 HB3 ALA 1 1HB ALA 1 -2.028 -2.491 6.271 8 H ARG 2 H ARG 2 1.255 -1.046 7.105 9 HA ARG 2 HA ARG 2 0.396 1.640 7.174 10 HB2 ARG 2 2HB ARG 2 2.779 0.234 6.532 11 HB3 ARG 2 1HB ARG 2 2.414 1.289 5.175 12 HG2 ARG 2 2HG ARG 2 3.370 2.933 6.304 13 HG3 ARG 2 1HG ARG 2 2.004 2.877 7.420 14 HD2 ARG 2 2HD ARG 2 4.430 2.677 8.335 15 HD3 ARG 2 1HD ARG 2 3.163 1.646 8.989 16 HE ARG 2 HE ARG 2 4.332 -0.151 8.229 17 HH11 ARG 2 1HH1 ARG 2 5.362 2.642 6.376 18 HH12 ARG 2 2HH1 ARG 2 6.553 1.761 5.480 19 HH21 ARG 2 1HH2 ARG 2 5.896 -1.301 7.046 20 HH22 ARG 2 2HH2 ARG 2 6.854 -0.487 5.858 21 H THR 3 H THR 3 -1.316 2.318 6.045 22 HA THR 3 HA THR 3 -1.500 1.551 3.207 23 HB THR 3 HB THR 3 -3.870 2.567 4.738 24 HG1 THR 3 1HG THR 3 -3.408 0.926 6.060 25 HG21 THR 3 3HG2 THR 3 -3.471 1.515 2.155 26 HG22 THR 3 1HG2 THR 3 -4.978 2.018 2.922 27 HG23 THR 3 2HG2 THR 3 -4.429 0.349 3.066 28 H LYS 4 H LYS 4 -1.184 3.146 1.791 29 HA LYS 4 HA LYS 4 -1.463 5.927 2.723 30 HB2 LYS 4 2HB LYS 4 0.816 5.310 2.008 31 HB3 LYS 4 1HB LYS 4 0.195 4.843 0.432 32 HG2 LYS 4 2HG LYS 4 0.598 6.907 -0.258 33 HG3 LYS 4 1HG LYS 4 -0.692 7.461 0.807 34 HD2 LYS 4 2HD LYS 4 1.052 7.545 2.646 35 HD3 LYS 4 1HD LYS 4 2.259 7.318 1.379 36 HE2 LYS 4 2HE LYS 4 0.736 9.350 0.361 37 HE3 LYS 4 1HE LYS 4 0.689 9.690 2.090 38 HZ1 LYS 4 3HZ LYS 4 3.057 9.772 2.162 39 HZ2 LYS 4 1HZ LYS 4 2.553 10.766 0.888 40 HZ3 LYS 4 2HZ LYS 4 3.196 9.236 0.563 41 H GLN 5 H GLN 5 -2.792 7.315 1.669 42 HA GLN 5 HA GLN 5 -4.399 6.183 -0.519 43 HB2 GLN 5 2HB GLN 5 -5.481 6.896 1.698 44 HB3 GLN 5 1HB GLN 5 -5.172 8.547 1.180 45 HG2 GLN 5 2HG GLN 5 -6.449 7.935 -0.944 46 HG3 GLN 5 1HG GLN 5 -6.985 6.508 -0.059 47 HE21 GLN 5 1HE2 GLN 5 -8.991 7.905 -0.801 48 HE22 GLN 5 2HE2 GLN 5 -9.638 8.915 0.441 49 H THR 6 H THR 6 -4.093 6.966 -2.479 50 HA THR 6 HA THR 6 -3.085 9.718 -2.769 51 HB THR 6 HB THR 6 -1.803 8.995 -4.719 52 HG1 THR 6 1HG THR 6 -2.774 7.281 -5.572 53 HG21 THR 6 3HG2 THR 6 -0.474 7.037 -3.402 54 HG22 THR 6 1HG2 THR 6 -1.299 7.851 -2.073 55 HG23 THR 6 2HG2 THR 6 -0.235 8.764 -3.142 56 H ALA 7 H ALA 7 -4.379 11.021 -3.882 57 HA ALA 7 HA ALA 7 -6.556 9.848 -5.456 58 HB1 ALA 7 1HB ALA 7 -6.238 12.710 -4.560 59 HB2 ALA 7 2HB ALA 7 -7.094 11.469 -3.647 60 HB3 ALA 7 3HB ALA 7 -7.682 11.957 -5.237 61 H ARG 8 H ARG 8 -7.091 10.656 -7.539 62 HA ARG 8 HA ARG 8 -4.821 11.146 -9.202 63 HB2 ARG 8 2HB ARG 8 -6.835 9.827 -9.895 64 HB3 ARG 8 1HB ARG 8 -7.746 11.329 -9.941 65 HG2 ARG 8 2HG ARG 8 -6.836 11.984 -11.894 66 HG3 ARG 8 1HG ARG 8 -5.255 11.299 -11.514 67 HD2 ARG 8 2HD ARG 8 -6.678 9.035 -11.769 68 HD3 ARG 8 1HD ARG 8 -7.587 10.077 -12.862 69 HE ARG 8 HE ARG 8 -5.825 10.034 -14.326 70 HH11 ARG 8 1HH1 ARG 8 -4.741 8.815 -11.227 71 HH12 ARG 8 2HH1 ARG 8 -3.213 8.273 -11.833 72 HH21 ARG 8 1HH2 ARG 8 -3.801 9.324 -15.120 73 HH22 ARG 8 2HH2 ARG 8 -2.677 8.565 -14.043 74 H LYS 9 H LYS 9 -7.389 13.152 -7.862 75 HA LYS 9 HA LYS 9 -6.023 15.519 -8.957 76 HB2 LYS 9 2HB LYS 9 -8.422 14.766 -9.872 77 HB3 LYS 9 1HB LYS 9 -8.953 15.665 -8.456 78 HG2 LYS 9 2HG LYS 9 -7.010 17.234 -9.798 79 HG3 LYS 9 1HG LYS 9 -8.164 16.649 -10.997 80 HD2 LYS 9 2HD LYS 9 -9.976 17.414 -9.359 81 HD3 LYS 9 1HD LYS 9 -8.687 18.293 -8.534 82 HE2 LYS 9 2HE LYS 9 -9.278 18.609 -11.470 83 HE3 LYS 9 1HE LYS 9 -10.029 19.606 -10.227 84 HZ1 LYS 9 3HZ LYS 9 -7.795 20.294 -11.446 85 HZ2 LYS 9 1HZ LYS 9 -7.117 19.413 -10.173 86 HZ3 LYS 9 2HZ LYS 9 -8.122 20.734 -9.847 87 H SER 10 H SER 10 -6.915 17.567 -7.717 88 HA SER 10 HA SER 10 -6.996 18.767 -5.793 89 HB2 SER 10 2HB SER 10 -8.850 16.810 -5.396 90 HB3 SER 10 1HB SER 10 -7.775 16.536 -4.027 91 HG SER 10 HG SER 10 -9.593 18.477 -4.374 92 H THR 11 H THR 11 -4.551 17.710 -6.524 93 HA THR 11 HA THR 11 -3.323 16.953 -3.958 94 HB THR 11 HB THR 11 -2.844 15.261 -5.537 95 HG1 THR 11 1HG THR 11 -0.688 15.307 -5.491 96 HG21 THR 11 3HG2 THR 11 -3.203 15.810 -7.682 97 HG22 THR 11 1HG2 THR 11 -1.473 16.152 -7.669 98 HG23 THR 11 2HG2 THR 11 -2.633 17.465 -7.471 99 H GLY 12 H GLY 12 -3.150 19.216 -6.660 100 HA2 GLY 12 2HA GLY 12 -2.530 21.510 -6.095 101 HA3 GLY 12 1HA GLY 12 -1.288 20.844 -5.047 102 H GLY 13 H GLY 13 0.681 20.228 -5.907 103 HA2 GLY 13 2HA GLY 13 1.338 19.678 -8.517 104 HA3 GLY 13 1HA GLY 13 1.377 21.430 -8.413 105 H SER 14 H SER 14 3.583 19.678 -8.986 106 HA SER 14 HA SER 14 5.319 20.348 -6.702 107 HB2 SER 14 2HB SER 14 5.626 17.888 -8.438 108 HB3 SER 14 1HB SER 14 6.571 18.304 -7.010 109 HG SER 14 HG SER 14 5.106 17.311 -5.897 110 H SER 15 H SER 15 4.788 21.875 -9.132 111 HA SER 15 HA SER 15 7.360 21.664 -10.536 112 HB2 SER 15 2HB SER 15 4.662 22.661 -11.311 113 HB3 SER 15 1HB SER 15 6.056 23.482 -12.013 114 HG SER 15 HG SER 15 6.713 21.578 -12.926 115 H GLY 16 H GLY 16 8.506 22.619 -8.758 116 HA2 GLY 16 2HA GLY 16 9.739 24.536 -8.191 117 HA3 GLY 16 1HA GLY 16 8.483 25.531 -8.911 118 H SER 17 H SER 17 9.426 26.393 -6.592 119 HA SER 17 HA SER 17 8.919 26.993 -4.462 120 HB2 SER 17 2HB SER 17 6.274 26.491 -5.744 121 HB3 SER 17 1HB SER 17 6.306 26.743 -3.999 122 HG SER 17 HG SER 17 7.130 28.749 -4.293 123 H SER 18 H SER 18 9.764 24.250 -4.867 124 HA SER 18 HA SER 18 8.803 23.149 -2.345 125 HB2 SER 18 2HB SER 18 8.988 21.355 -4.765 126 HB3 SER 18 1HB SER 18 8.254 21.008 -3.200 127 HG SER 18 HG SER 18 7.289 22.651 -5.286 128 H GLN 19 H GLN 19 10.266 21.705 -1.349 129 HA GLN 19 HA GLN 19 12.955 21.635 -2.560 130 HB2 GLN 19 2HB GLN 19 12.498 23.204 -0.523 131 HB3 GLN 19 1HB GLN 19 12.527 21.716 0.413 132 HG2 GLN 19 2HG GLN 19 14.736 21.700 0.431 133 HG3 GLN 19 1HG GLN 19 14.805 21.814 -1.327 134 HE21 GLN 19 1HE2 GLN 19 13.734 24.037 1.241 135 HE22 GLN 19 2HE2 GLN 19 14.740 25.351 0.748 136 H SER 20 H SER 20 10.836 19.616 -2.684 137 HA SER 20 HA SER 20 10.631 17.359 -2.607 138 HB2 SER 20 2HB SER 20 13.516 17.762 -2.096 139 HB3 SER 20 1HB SER 20 12.864 16.204 -1.592 140 HG SER 20 HG SER 20 12.699 17.364 -4.177 141 H LEU 21 H LEU 21 10.439 15.498 -1.099 142 HA LEU 21 HA LEU 21 10.720 15.982 1.716 143 HB2 LEU 21 2HB LEU 21 8.255 16.679 0.401 144 HB3 LEU 21 1HB LEU 21 7.979 15.377 1.542 145 HG LEU 21 HG LEU 21 9.512 17.787 2.426 146 HD11 LEU 21 1HD1 LEU 21 7.060 18.461 3.236 147 HD12 LEU 21 2HD1 LEU 21 6.647 17.685 1.707 148 HD13 LEU 21 3HD1 LEU 21 7.768 19.046 1.730 149 HD21 LEU 21 3HD2 LEU 21 7.484 16.257 3.998 150 HD22 LEU 21 1HD2 LEU 21 8.912 17.127 4.554 151 HD23 LEU 21 2HD2 LEU 21 9.089 15.575 3.734 152 H ILE 22 H ILE 22 10.406 14.132 2.986 153 HA ILE 22 HA ILE 22 10.647 11.641 1.539 154 HB ILE 22 HB ILE 22 10.550 12.009 4.537 155 HG12 ILE 22 2HG1 ILE 22 13.060 11.863 2.859 156 HG13 ILE 22 1HG1 ILE 22 12.319 13.405 3.318 157 HG21 ILE 22 1HG2 ILE 22 10.411 9.705 3.166 158 HG22 ILE 22 2HG2 ILE 22 11.193 9.851 4.740 159 HG23 ILE 22 3HG2 ILE 22 12.162 9.884 3.268 160 HD11 ILE 22 3HD1 ILE 22 13.990 13.048 4.899 161 HD12 ILE 22 1HD1 ILE 22 13.594 11.338 5.072 162 HD13 ILE 22 2HD1 ILE 22 12.504 12.564 5.719 163 H ASP 23 H ASP 23 8.741 10.998 0.681 164 HA ASP 23 HA ASP 23 6.429 10.761 2.492 165 HB2 ASP 23 2HB ASP 23 6.666 11.363 -0.424 166 HB3 ASP 23 1HB ASP 23 5.244 10.492 0.135 167 H GLU 24 H GLU 24 4.973 8.901 2.033 168 HA GLU 24 HA GLU 24 6.542 6.517 1.298 169 HB2 GLU 24 2HB GLU 24 5.027 5.260 2.824 170 HB3 GLU 24 1HB GLU 24 6.005 6.469 3.642 171 HG2 GLU 24 2HG GLU 24 3.528 7.652 2.863 172 HG3 GLU 24 1HG GLU 24 3.208 6.140 3.710 173 H ASP 25 H ASP 25 5.143 8.043 -0.664 174 HA ASP 25 HA ASP 25 2.580 7.170 -1.297 175 HB2 ASP 25 2HB ASP 25 4.884 8.049 -3.033 176 HB3 ASP 25 1HB ASP 25 3.318 7.626 -3.717 177 H ALA 26 H ALA 26 5.711 5.700 -2.093 178 HA ALA 26 HA ALA 26 6.293 3.579 -2.679 179 HB1 ALA 26 1HB ALA 26 4.443 3.144 -0.865 180 HB2 ALA 26 2HB ALA 26 5.088 1.823 -1.839 181 HB3 ALA 26 3HB ALA 26 3.534 2.546 -2.254 182 H VAL 27 H VAL 27 5.581 1.697 -4.219 183 HA VAL 27 HA VAL 27 4.051 2.775 -6.480 184 HB VAL 27 HB VAL 27 5.750 1.668 -8.017 185 HG11 VAL 27 1HG1 VAL 27 7.438 3.679 -7.471 186 HG12 VAL 27 2HG1 VAL 27 6.043 4.203 -6.528 187 HG13 VAL 27 3HG1 VAL 27 5.878 3.913 -8.259 188 HG21 VAL 27 3HG2 VAL 27 7.874 2.085 -6.025 189 HG22 VAL 27 1HG2 VAL 27 7.710 0.846 -7.267 190 HG23 VAL 27 2HG2 VAL 27 6.846 0.681 -5.740 191 H CYS 28 H CYS 28 2.388 1.452 -6.755 192 HA CYS 28 HA CYS 28 2.208 -1.156 -5.775 193 HB2 CYS 28 2HB CYS 28 0.208 0.080 -6.159 194 HB3 CYS 28 1HB CYS 28 0.601 0.302 -7.869 195 H SER 29 H SER 29 2.177 -3.176 -6.797 196 HA SER 29 HA SER 29 3.954 -3.350 -9.116 197 HB2 SER 29 2HB SER 29 4.111 -4.697 -6.815 198 HB3 SER 29 1HB SER 29 3.031 -5.794 -7.677 199 HG SER 29 HG SER 29 4.966 -6.503 -8.289 200 H ILE 30 H ILE 30 0.683 -4.256 -8.082 201 HA ILE 30 HA ILE 30 0.081 -5.849 -10.353 202 HB ILE 30 HB ILE 30 -1.648 -4.464 -8.313 203 HG12 ILE 30 2HG1 ILE 30 -2.218 -7.112 -8.165 204 HG13 ILE 30 1HG1 ILE 30 -0.545 -7.183 -8.737 205 HG21 ILE 30 1HG2 ILE 30 -2.941 -4.424 -10.343 206 HG22 ILE 30 2HG2 ILE 30 -3.580 -5.685 -9.285 207 HG23 ILE 30 3HG2 ILE 30 -2.567 -6.121 -10.662 208 HD11 ILE 30 3HD1 ILE 30 -1.201 -5.435 -6.414 209 HD12 ILE 30 1HD1 ILE 30 0.289 -6.299 -6.799 210 HD13 ILE 30 2HD1 ILE 30 -1.106 -7.181 -6.182 211 H CYS 31 H CYS 31 0.041 -2.414 -9.756 212 HA CYS 31 HA CYS 31 -0.622 -1.934 -12.546 213 HB2 CYS 31 2HB CYS 31 -2.513 -0.630 -12.175 214 HB3 CYS 31 1HB CYS 31 -2.708 -1.909 -10.971 215 H MET 32 H MET 32 -0.496 0.547 -12.979 216 HA MET 32 HA MET 32 1.794 1.638 -11.468 217 HB2 MET 32 2HB MET 32 1.917 0.873 -14.048 218 HB3 MET 32 1HB MET 32 1.344 2.520 -14.271 219 HG2 MET 32 2HG MET 32 3.292 3.184 -12.732 220 HG3 MET 32 1HG MET 32 3.916 1.570 -13.074 221 HE1 MET 32 3HE MET 32 5.353 1.207 -15.833 222 HE2 MET 32 1HE MET 32 3.977 1.527 -16.889 223 HE3 MET 32 2HE MET 32 3.746 0.636 -15.384 224 H ASP 33 H ASP 33 -0.580 2.223 -10.441 225 HA ASP 33 HA ASP 33 -2.028 3.854 -9.832 226 HB2 ASP 33 2HB ASP 33 0.434 5.331 -10.631 227 HB3 ASP 33 1HB ASP 33 -1.036 6.277 -10.360 228 H GLY 34 H GLY 34 -2.361 2.736 -12.496 229 HA2 GLY 34 2HA GLY 34 -3.562 5.047 -13.895 230 HA3 GLY 34 1HA GLY 34 -3.017 3.568 -14.692 231 H GLU 35 H GLU 35 -4.880 3.758 -11.695 232 HA GLU 35 HA GLU 35 -6.855 1.963 -12.784 233 HB2 GLU 35 2HB GLU 35 -6.802 3.343 -10.090 234 HB3 GLU 35 1HB GLU 35 -7.836 1.997 -10.545 235 HG2 GLU 35 2HG GLU 35 -4.860 1.735 -10.675 236 HG3 GLU 35 1HG GLU 35 -5.712 1.558 -9.143 237 H SER 36 H SER 36 -9.216 2.427 -12.470 238 HA SER 36 HA SER 36 -9.786 5.111 -13.486 239 HB2 SER 36 2HB SER 36 -11.275 2.498 -13.575 240 HB3 SER 36 1HB SER 36 -12.100 4.020 -13.912 241 HG SER 36 HG SER 36 -9.780 3.073 -15.253 242 H GLN 37 H GLN 37 -9.198 4.780 -10.682 243 HA GLN 37 HA GLN 37 -11.816 5.426 -9.490 244 HB2 GLN 37 2HB GLN 37 -10.300 3.397 -8.679 245 HB3 GLN 37 1HB GLN 37 -9.479 4.680 -7.784 246 HG2 GLN 37 2HG GLN 37 -11.357 5.149 -6.497 247 HG3 GLN 37 1HG GLN 37 -12.451 4.353 -7.628 248 HE21 GLN 37 1HE2 GLN 37 -11.119 4.067 -4.675 249 HE22 GLN 37 2HE2 GLN 37 -11.127 2.348 -4.500 250 H ASN 38 H ASN 38 -11.779 7.069 -7.772 251 HA ASN 38 HA ASN 38 -10.214 9.339 -8.572 252 HB2 ASN 38 2HB ASN 38 -12.624 8.904 -7.099 253 HB3 ASN 38 1HB ASN 38 -11.532 9.859 -6.101 254 HD21 ASN 38 1HD2 ASN 38 -11.925 11.945 -6.298 255 HD22 ASN 38 2HD2 ASN 38 -12.358 12.766 -7.755 256 H SER 39 H SER 39 -10.260 7.139 -5.801 257 HA SER 39 HA SER 39 -7.548 7.953 -5.121 258 HB2 SER 39 2HB SER 39 -9.404 9.266 -3.776 259 HB3 SER 39 1HB SER 39 -9.481 7.767 -2.843 260 HG SER 39 HG SER 39 -7.873 9.601 -2.315 261 H ASN 40 H ASN 40 -6.324 6.271 -4.481 262 HA ASN 40 HA ASN 40 -7.692 3.729 -3.858 263 HB2 ASN 40 2HB ASN 40 -5.579 2.651 -4.800 264 HB3 ASN 40 1HB ASN 40 -6.640 3.432 -5.966 265 HD21 ASN 40 1HD2 ASN 40 -3.790 4.080 -3.947 266 HD22 ASN 40 2HD2 ASN 40 -3.008 5.113 -5.091 267 H VAL 41 H VAL 41 -6.068 2.147 -2.725 268 HA VAL 41 HA VAL 41 -4.503 3.621 -0.714 269 HB VAL 41 HB VAL 41 -5.219 1.928 0.995 270 HG11 VAL 41 1HG1 VAL 41 -6.793 4.123 -0.106 271 HG12 VAL 41 2HG1 VAL 41 -6.349 3.766 1.564 272 HG13 VAL 41 3HG1 VAL 41 -7.747 2.977 0.835 273 HG21 VAL 41 3HG2 VAL 41 -7.570 0.950 0.409 274 HG22 VAL 41 1HG2 VAL 41 -6.106 0.108 -0.100 275 HG23 VAL 41 2HG2 VAL 41 -7.002 1.096 -1.253 276 H ILE 42 H ILE 42 -2.445 3.065 -1.004 277 HA ILE 42 HA ILE 42 -1.752 0.431 -2.026 278 HB ILE 42 HB ILE 42 -0.618 2.634 -2.733 279 HG12 ILE 42 2HG1 ILE 42 1.650 0.953 -2.078 280 HG13 ILE 42 1HG1 ILE 42 0.276 -0.024 -2.610 281 HG21 ILE 42 1HG2 ILE 42 -0.172 2.987 -0.094 282 HG22 ILE 42 2HG2 ILE 42 0.782 3.744 -1.368 283 HG23 ILE 42 3HG2 ILE 42 1.362 2.272 -0.589 284 HD11 ILE 42 3HD1 ILE 42 1.850 2.015 -4.103 285 HD12 ILE 42 1HD1 ILE 42 0.173 1.705 -4.554 286 HD13 ILE 42 2HD1 ILE 42 1.350 0.394 -4.585 287 H LEU 43 H LEU 43 -0.135 -0.924 -0.932 288 HA LEU 43 HA LEU 43 -0.081 -0.542 1.979 289 HB2 LEU 43 2HB LEU 43 -0.752 -3.077 0.495 290 HB3 LEU 43 1HB LEU 43 -0.362 -3.024 2.204 291 HG LEU 43 HG LEU 43 -2.703 -1.653 0.888 292 HD11 LEU 43 1HD1 LEU 43 -2.469 -4.136 2.565 293 HD12 LEU 43 2HD1 LEU 43 -3.143 -3.973 0.943 294 HD13 LEU 43 3HD1 LEU 43 -3.990 -3.274 2.324 295 HD21 LEU 43 3HD2 LEU 43 -1.620 -1.629 3.677 296 HD22 LEU 43 1HD2 LEU 43 -3.346 -1.426 3.388 297 HD23 LEU 43 2HD2 LEU 43 -2.196 -0.288 2.690 298 H PHE 44 H PHE 44 1.882 -0.605 2.768 299 HA PHE 44 HA PHE 44 4.012 -1.883 1.180 300 HB2 PHE 44 2HB PHE 44 3.885 0.685 2.092 301 HB3 PHE 44 1HB PHE 44 4.775 -0.092 3.396 302 HD1 PHE 44 1HD PHE 44 4.741 0.279 -0.297 303 HD2 PHE 44 2HD PHE 44 7.061 -0.404 3.205 304 HE1 PHE 44 1HE PHE 44 6.804 0.438 -1.634 305 HE2 PHE 44 2HE PHE 44 9.125 -0.250 1.875 306 HZ PHE 44 HZ PHE 44 8.999 0.172 -0.548 307 H CYS 45 H CYS 45 5.225 -3.520 2.045 308 HA CYS 45 HA CYS 45 4.258 -4.804 4.389 309 HB2 CYS 45 2HB CYS 45 5.469 -5.888 2.403 310 HB3 CYS 45 1HB CYS 45 6.965 -5.343 3.179 311 H ASP 46 H ASP 46 5.372 -5.199 6.385 312 HA ASP 46 HA ASP 46 6.763 -2.829 7.313 313 HB2 ASP 46 2HB ASP 46 5.297 -5.064 8.592 314 HB3 ASP 46 1HB ASP 46 6.594 -4.320 9.537 315 H MET 47 H MET 47 7.684 -5.896 6.152 316 HA MET 47 HA MET 47 10.380 -5.465 7.250 317 HB2 MET 47 2HB MET 47 8.799 -7.550 8.060 318 HB3 MET 47 1HB MET 47 9.657 -8.271 6.700 319 HG2 MET 47 2HG MET 47 11.176 -8.762 8.276 320 HG3 MET 47 1HG MET 47 11.715 -7.111 7.972 321 HE1 MET 47 3HE MET 47 9.281 -9.290 10.100 322 HE2 MET 47 1HE MET 47 9.712 -8.758 11.726 323 HE3 MET 47 2HE MET 47 10.911 -9.564 10.716 324 H CYS 48 H CYS 48 8.682 -5.108 4.655 325 HA CYS 48 HA CYS 48 10.808 -5.866 2.835 326 HB2 CYS 48 2HB CYS 48 7.941 -6.679 2.320 327 HB3 CYS 48 1HB CYS 48 9.359 -7.072 1.358 328 H ASN 49 H ASN 49 9.724 -5.267 0.461 329 HA ASN 49 HA ASN 49 8.797 -2.492 0.744 330 HB2 ASN 49 2HB ASN 49 9.797 -2.138 -1.534 331 HB3 ASN 49 1HB ASN 49 10.971 -2.513 -0.267 332 HD21 ASN 49 1HD2 ASN 49 12.555 -3.447 -1.421 333 HD22 ASN 49 2HD2 ASN 49 12.366 -4.870 -2.382 334 H LEU 50 H LEU 50 7.382 -5.274 0.363 335 HA LEU 50 HA LEU 50 6.111 -5.323 -2.114 336 HB2 LEU 50 2HB LEU 50 6.059 -7.164 -0.461 337 HB3 LEU 50 1HB LEU 50 4.976 -6.202 0.546 338 HG LEU 50 HG LEU 50 3.490 -6.192 -1.640 339 HD11 LEU 50 1HD1 LEU 50 4.885 -8.836 -1.947 340 HD12 LEU 50 2HD1 LEU 50 5.309 -7.417 -2.903 341 HD13 LEU 50 3HD1 LEU 50 3.686 -8.098 -3.009 342 HD21 LEU 50 3HD2 LEU 50 2.141 -7.685 -0.576 343 HD22 LEU 50 1HD2 LEU 50 3.257 -7.331 0.743 344 HD23 LEU 50 2HD2 LEU 50 3.462 -8.797 -0.217 345 H ALA 51 H ALA 51 5.431 -3.343 -2.823 346 HA ALA 51 HA ALA 51 3.399 -1.948 -1.227 347 HB1 ALA 51 1HB ALA 51 4.126 0.017 -2.076 348 HB2 ALA 51 2HB ALA 51 4.436 -0.663 -3.672 349 HB3 ALA 51 3HB ALA 51 5.603 -0.899 -2.372 350 H VAL 52 H VAL 52 1.434 -2.820 -1.745 351 HA VAL 52 HA VAL 52 0.586 -2.612 -4.532 352 HB VAL 52 HB VAL 52 -0.534 -4.866 -4.399 353 HG11 VAL 52 1HG1 VAL 52 2.460 -4.626 -4.474 354 HG12 VAL 52 2HG1 VAL 52 1.327 -4.700 -5.823 355 HG13 VAL 52 3HG1 VAL 52 1.621 -6.132 -4.840 356 HG21 VAL 52 3HG2 VAL 52 0.910 -6.419 -2.804 357 HG22 VAL 52 1HG2 VAL 52 -0.566 -5.626 -2.254 358 HG23 VAL 52 2HG2 VAL 52 1.007 -4.932 -1.860 359 H HIS 53 H HIS 53 -1.505 -1.950 -4.749 360 HA HIS 53 HA HIS 53 -2.915 -1.002 -2.503 361 HB2 HIS 53 2HB HIS 53 -4.109 -1.674 -5.201 362 HB3 HIS 53 1HB HIS 53 -4.785 -0.588 -4.000 363 HD2 HIS 53 2HD HIS 53 -3.163 1.804 -3.612 364 HE1 HIS 53 1HE HIS 53 -1.626 1.511 -7.544 365 HE2 HIS 53 2HE HIS 53 -1.758 2.956 -5.466 366 H GLN 54 H GLN 54 -4.586 -1.853 -1.281 367 HA GLN 54 HA GLN 54 -4.716 -4.659 -1.005 368 HB2 GLN 54 2HB GLN 54 -6.455 -4.285 0.623 369 HB3 GLN 54 1HB GLN 54 -5.208 -3.066 0.826 370 HG2 GLN 54 2HG GLN 54 -6.841 -1.569 0.826 371 HG3 GLN 54 1HG GLN 54 -7.001 -1.876 -0.911 372 HE21 GLN 54 1HE2 GLN 54 -7.955 -3.512 2.109 373 HE22 GLN 54 2HE2 GLN 54 -9.592 -3.791 1.635 374 H GLU 55 H GLU 55 -6.318 -2.549 -3.169 375 HA GLU 55 HA GLU 55 -8.530 -4.373 -3.692 376 HB2 GLU 55 2HB GLU 55 -8.084 -1.585 -4.044 377 HB3 GLU 55 1HB GLU 55 -8.309 -2.285 -5.642 378 HG2 GLU 55 2HG GLU 55 -10.483 -2.708 -5.300 379 HG3 GLU 55 1HG GLU 55 -10.239 -3.171 -3.616 380 H CYS 56 H CYS 56 -5.436 -3.444 -4.891 381 HA CYS 56 HA CYS 56 -5.642 -4.602 -7.483 382 HB2 CYS 56 2HB CYS 56 -3.774 -3.030 -5.975 383 HB3 CYS 56 1HB CYS 56 -2.946 -4.411 -6.637 384 H TYR 57 H TYR 57 -4.354 -5.568 -4.339 385 HA TYR 57 HA TYR 57 -3.435 -8.102 -5.363 386 HB2 TYR 57 2HB TYR 57 -2.507 -6.560 -3.377 387 HB3 TYR 57 1HB TYR 57 -3.552 -7.622 -2.438 388 HD1 TYR 57 1HD TYR 57 -3.187 -10.129 -2.619 389 HD2 TYR 57 2HD TYR 57 -0.392 -7.281 -4.093 390 HE1 TYR 57 1HE TYR 57 -1.436 -11.852 -2.610 391 HE2 TYR 57 2HE TYR 57 1.369 -8.994 -4.087 392 HH TYR 57 HH TYR 57 1.871 -11.118 -2.976 393 H GLY 58 H GLY 58 -6.177 -6.862 -3.564 394 HA2 GLY 58 2HA GLY 58 -8.278 -7.913 -3.440 395 HA3 GLY 58 1HA GLY 58 -7.512 -9.446 -3.874 396 H VAL 59 H VAL 59 -6.705 -7.146 -1.285 397 HA VAL 59 HA VAL 59 -6.421 -9.240 0.635 398 HB VAL 59 HB VAL 59 -6.572 -6.261 1.143 399 HG11 VAL 59 1HG1 VAL 59 -5.173 -8.346 2.797 400 HG12 VAL 59 2HG1 VAL 59 -6.840 -7.857 3.093 401 HG13 VAL 59 3HG1 VAL 59 -5.540 -6.675 3.224 402 HG21 VAL 59 3HG2 VAL 59 -4.824 -6.680 -0.460 403 HG22 VAL 59 1HG2 VAL 59 -4.194 -8.009 0.513 404 HG23 VAL 59 2HG2 VAL 59 -4.090 -6.351 1.108 405 HA PRO 60 HA PRO 60 -10.686 -9.496 1.861 406 HB2 PRO 60 2HB PRO 60 -10.340 -10.830 4.214 407 HB3 PRO 60 1HB PRO 60 -10.248 -11.608 2.626 408 HG2 PRO 60 2HG PRO 60 -8.036 -10.673 4.411 409 HG3 PRO 60 1HG PRO 60 -8.155 -12.165 3.460 410 HD2 PRO 60 2HD PRO 60 -6.703 -10.034 2.642 411 HD3 PRO 60 1HD PRO 60 -7.522 -11.121 1.504 412 H TYR 61 H TYR 61 -8.337 -8.570 4.401 413 HA TYR 61 HA TYR 61 -10.018 -6.312 5.107 414 HB2 TYR 61 2HB TYR 61 -10.846 -8.175 6.527 415 HB3 TYR 61 1HB TYR 61 -9.215 -8.364 7.187 416 HD1 TYR 61 1HD TYR 61 -11.735 -5.648 6.669 417 HD2 TYR 61 2HD TYR 61 -8.812 -7.368 9.235 418 HE1 TYR 61 1HE TYR 61 -12.246 -3.952 8.377 419 HE2 TYR 61 2HE TYR 61 -9.315 -5.681 10.953 420 HH TYR 61 HH TYR 61 -12.037 -3.746 10.896 421 H ILE 62 H ILE 62 -8.934 -4.729 6.413 422 HA ILE 62 HA ILE 62 -6.023 -4.840 6.093 423 HB ILE 62 HB ILE 62 -7.705 -2.428 6.776 424 HG12 ILE 62 2HG1 ILE 62 -6.578 -3.077 4.052 425 HG13 ILE 62 1HG1 ILE 62 -8.205 -3.555 4.523 426 HG21 ILE 62 1HG2 ILE 62 -5.423 -2.114 7.400 427 HG22 ILE 62 2HG2 ILE 62 -5.698 -1.213 5.910 428 HG23 ILE 62 3HG2 ILE 62 -4.855 -2.760 5.860 429 HD11 ILE 62 3HD1 ILE 62 -7.673 -1.284 3.253 430 HD12 ILE 62 1HD1 ILE 62 -7.487 -0.716 4.913 431 HD13 ILE 62 2HD1 ILE 62 -9.007 -1.447 4.395 432 HA PRO 63 HA PRO 63 -5.929 -5.545 10.555 433 HB2 PRO 63 2HB PRO 63 -3.249 -5.939 10.722 434 HB3 PRO 63 1HB PRO 63 -4.372 -7.188 10.147 435 HG2 PRO 63 2HG PRO 63 -2.629 -5.330 8.571 436 HG3 PRO 63 1HG PRO 63 -2.942 -7.056 8.317 437 HD2 PRO 63 2HD PRO 63 -4.167 -5.109 6.878 438 HD3 PRO 63 1HD PRO 63 -4.940 -6.664 7.247 439 H GLU 64 H GLU 64 -5.179 -4.388 12.374 440 HA GLU 64 HA GLU 64 -4.258 -1.671 11.769 441 HB2 GLU 64 2HB GLU 64 -5.969 -2.883 13.855 442 HB3 GLU 64 1HB GLU 64 -4.918 -1.583 14.398 443 HG2 GLU 64 2HG GLU 64 -5.915 -0.397 12.239 444 HG3 GLU 64 1HG GLU 64 -7.241 -1.510 12.564 445 H GLY 65 H GLY 65 -2.443 -4.010 11.871 446 HA2 GLY 65 2HA GLY 65 -0.623 -2.955 13.928 447 HA3 GLY 65 1HA GLY 65 -0.880 -4.689 13.792 448 H GLN 66 H GLN 66 0.891 -5.573 12.935 449 HA GLN 66 HA GLN 66 2.406 -4.114 10.911 450 HB2 GLN 66 2HB GLN 66 2.959 -6.394 12.735 451 HB3 GLN 66 1HB GLN 66 3.812 -6.379 11.197 452 HG2 GLN 66 2HG GLN 66 4.370 -3.918 11.862 453 HG3 GLN 66 1HG GLN 66 3.997 -4.486 13.489 454 HE21 GLN 66 1HE2 GLN 66 6.479 -3.884 11.548 455 HE22 GLN 66 2HE2 GLN 66 7.606 -5.081 12.076 456 H TRP 67 H TRP 67 2.903 -4.951 8.869 457 HA TRP 67 HA TRP 67 1.090 -7.077 7.940 458 HB2 TRP 67 2HB TRP 67 0.717 -4.683 7.083 459 HB3 TRP 67 1HB TRP 67 2.207 -4.904 6.174 460 HD1 TRP 67 HD TRP 67 -0.651 -7.480 6.627 461 HE1 TRP 67 1HE TRP 67 -1.507 -8.135 4.295 462 HE3 TRP 67 3HE TRP 67 2.179 -4.295 3.798 463 HZ2 TRP 67 2HZ TRP 67 -1.055 -7.396 1.605 464 HZ3 TRP 67 3HZ TRP 67 1.906 -4.333 1.354 465 HH2 TRP 67 HH TRP 67 0.324 -5.852 0.282 466 H LEU 68 H LEU 68 2.189 -8.894 7.625 467 HA LEU 68 HA LEU 68 4.883 -8.732 6.428 468 HB2 LEU 68 2HB LEU 68 3.726 -10.756 8.344 469 HB3 LEU 68 1HB LEU 68 5.158 -11.082 7.391 470 HG LEU 68 HG LEU 68 5.476 -10.337 9.819 471 HD11 LEU 68 1HD1 LEU 68 7.290 -10.487 8.203 472 HD12 LEU 68 2HD1 LEU 68 7.500 -9.095 9.267 473 HD13 LEU 68 3HD1 LEU 68 6.915 -8.865 7.619 474 HD21 LEU 68 3HD2 LEU 68 3.835 -8.407 9.540 475 HD22 LEU 68 1HD2 LEU 68 5.141 -7.575 8.695 476 HD23 LEU 68 2HD2 LEU 68 5.349 -8.067 10.376 477 H CYS 69 H CYS 69 4.600 -9.088 4.296 478 HA CYS 69 HA CYS 69 2.521 -10.506 3.105 479 HB2 CYS 69 2HB CYS 69 3.851 -10.461 1.064 480 HB3 CYS 69 1HB CYS 69 3.992 -8.915 1.906 481 H ARG 70 H ARG 70 2.619 -12.562 1.930 482 HA ARG 70 HA ARG 70 3.145 -14.719 3.521 483 HB2 ARG 70 2HB ARG 70 2.405 -14.284 0.774 484 HB3 ARG 70 1HB ARG 70 3.446 -15.694 0.921 485 HG2 ARG 70 2HG ARG 70 1.955 -16.809 2.315 486 HG3 ARG 70 1HG ARG 70 1.093 -15.328 2.734 487 HD2 ARG 70 2HD ARG 70 1.059 -16.750 0.074 488 HD3 ARG 70 1HD ARG 70 -0.252 -16.662 1.245 489 HE ARG 70 HE ARG 70 -0.640 -14.442 0.643 490 HH11 ARG 70 1HH1 ARG 70 2.036 -15.795 -1.178 491 HH12 ARG 70 2HH1 ARG 70 2.032 -14.528 -2.354 492 HH21 ARG 70 1HH2 ARG 70 -0.629 -12.777 -0.907 493 HH22 ARG 70 2HH2 ARG 70 0.522 -12.813 -2.202 494 H HIS 71 H HIS 71 5.522 -13.024 1.586 495 HA HIS 71 HA HIS 71 7.358 -15.208 1.457 496 HB2 HIS 71 2HB HIS 71 7.217 -12.514 0.467 497 HB3 HIS 71 1HB HIS 71 8.776 -12.769 1.245 498 HD1 HIS 71 1HD HIS 71 10.308 -14.641 0.230 499 HD2 HIS 71 2HD HIS 71 6.881 -13.796 -1.963 500 HE1 HIS 71 1HE HIS 71 10.677 -15.691 -2.026 501 HE2 HIS 71 2HE HIS 71 8.631 -15.086 -3.365 502 H CYS 72 H CYS 72 7.064 -12.325 3.503 503 HA CYS 72 HA CYS 72 9.330 -13.124 5.090 504 HB2 CYS 72 2HB CYS 72 8.806 -11.130 6.419 505 HB3 CYS 72 1HB CYS 72 8.980 -10.795 4.688 506 H LEU 73 H LEU 73 5.801 -12.915 5.598 507 HA LEU 73 HA LEU 73 5.809 -13.756 8.270 508 HB2 LEU 73 2HB LEU 73 3.503 -14.138 8.070 509 HB3 LEU 73 1HB LEU 73 3.849 -12.824 6.966 510 HG LEU 73 HG LEU 73 3.968 -14.707 5.162 511 HD11 LEU 73 1HD1 LEU 73 2.851 -16.106 7.514 512 HD12 LEU 73 2HD1 LEU 73 3.774 -16.732 6.150 513 HD13 LEU 73 3HD1 LEU 73 2.055 -16.390 5.966 514 HD21 LEU 73 3HD2 LEU 73 1.635 -13.366 6.400 515 HD22 LEU 73 1HD2 LEU 73 1.308 -14.639 5.227 516 HD23 LEU 73 2HD2 LEU 73 2.278 -13.243 4.765 517 H GLN 74 H GLN 74 6.331 -15.491 5.323 518 HA GLN 74 HA GLN 74 5.900 -18.108 6.503 519 HB2 GLN 74 2HB GLN 74 5.442 -17.758 4.123 520 HB3 GLN 74 1HB GLN 74 7.114 -17.283 3.857 521 HG2 GLN 74 2HG GLN 74 7.762 -19.591 4.652 522 HG3 GLN 74 1HG GLN 74 6.052 -20.003 4.552 523 HE21 GLN 74 1HE2 GLN 74 6.387 -21.526 2.937 524 HE22 GLN 74 2HE2 GLN 74 6.775 -21.080 1.315 525 H SER 75 H SER 75 8.594 -15.990 5.653 526 HA SER 75 HA SER 75 10.732 -17.733 6.105 527 HB2 SER 75 2HB SER 75 10.442 -14.742 6.252 528 HB3 SER 75 1HB SER 75 11.962 -15.517 6.701 529 HG SER 75 HG SER 75 12.171 -16.297 4.646 530 H ARG 76 H ARG 76 8.827 -15.785 8.354 531 HA ARG 76 HA ARG 76 10.503 -16.571 10.601 532 HB2 ARG 76 2HB ARG 76 9.171 -14.283 10.168 533 HB3 ARG 76 1HB ARG 76 7.930 -15.157 11.057 534 HG2 ARG 76 2HG ARG 76 9.122 -13.920 12.660 535 HG3 ARG 76 1HG ARG 76 9.678 -15.586 12.829 536 HD2 ARG 76 2HD ARG 76 11.566 -14.897 11.223 537 HD3 ARG 76 1HD ARG 76 11.098 -13.242 11.607 538 HE ARG 76 HE ARG 76 12.042 -13.483 13.682 539 HH11 ARG 76 1HH1 ARG 76 11.717 -16.651 12.222 540 HH12 ARG 76 2HH1 ARG 76 12.680 -17.441 13.423 541 HH21 ARG 76 1HH2 ARG 76 13.308 -14.533 15.267 542 HH22 ARG 76 2HH2 ARG 76 13.584 -16.239 15.152 543 H ALA 77 H ALA 77 7.544 -17.553 9.075 544 HA ALA 77 HA ALA 77 6.416 -18.923 11.317 545 HB1 ALA 77 1HB ALA 77 5.854 -19.166 8.362 546 HB2 ALA 77 2HB ALA 77 4.975 -18.180 9.531 547 HB3 ALA 77 3HB ALA 77 4.907 -19.940 9.632 548 H ARG 78 H ARG 78 8.664 -19.801 8.757 549 HA ARG 78 HA ARG 78 8.471 -22.593 8.982 550 HB2 ARG 78 2HB ARG 78 9.980 -20.806 7.453 551 HB3 ARG 78 1HB ARG 78 11.171 -21.736 8.351 552 HG2 ARG 78 2HG ARG 78 8.990 -23.261 7.062 553 HG3 ARG 78 1HG ARG 78 10.182 -22.513 5.999 554 HD2 ARG 78 2HD ARG 78 11.865 -23.866 6.704 555 HD3 ARG 78 1HD ARG 78 11.232 -23.981 8.345 556 HE ARG 78 HE ARG 78 10.708 -25.762 6.163 557 HH11 ARG 78 1HH1 ARG 78 9.413 -24.486 9.155 558 HH12 ARG 78 2HH1 ARG 78 8.396 -25.854 9.446 559 HH21 ARG 78 1HH2 ARG 78 9.360 -27.568 6.551 560 HH22 ARG 78 2HH2 ARG 78 8.369 -27.607 7.972 561 HA PRO 79 HA PRO 79 12.339 -22.294 12.011 562 HB2 PRO 79 2HB PRO 79 11.772 -19.596 13.133 563 HB3 PRO 79 1HB PRO 79 13.323 -20.369 12.785 564 HG2 PRO 79 2HG PRO 79 12.394 -18.448 11.205 565 HG3 PRO 79 1HG PRO 79 13.211 -19.866 10.518 566 HD2 PRO 79 2HD PRO 79 10.289 -19.241 10.650 567 HD3 PRO 79 1HD PRO 79 11.224 -19.974 9.333 568 H ALA 80 H ALA 80 11.009 -23.830 12.999 569 HA ALA 80 HA ALA 80 8.971 -22.972 14.879 570 HB1 ALA 80 1HB ALA 80 9.915 -25.776 14.298 571 HB2 ALA 80 2HB ALA 80 8.651 -24.944 13.390 572 HB3 ALA 80 3HB ALA 80 8.421 -25.294 15.104 Start of MODEL 12 1 H1 ALA 1 1HT ALA 1 -2.929 -2.415 8.921 2 H2 ALA 1 2HT ALA 1 -1.417 -2.205 9.706 3 H3 ALA 1 3HT ALA 1 -1.934 -3.775 9.244 4 HA ALA 1 HA ALA 1 -0.253 -2.896 7.789 5 HB1 ALA 1 2HB ALA 1 -1.445 -3.344 5.691 6 HB2 ALA 1 3HB ALA 1 -2.984 -3.209 6.540 7 HB3 ALA 1 1HB ALA 1 -1.864 -4.511 6.943 8 H ARG 2 H ARG 2 0.683 -1.041 7.260 9 HA ARG 2 HA ARG 2 -0.599 1.461 7.354 10 HB2 ARG 2 2HB ARG 2 2.066 0.446 6.600 11 HB3 ARG 2 1HB ARG 2 1.608 1.968 5.846 12 HG2 ARG 2 2HG ARG 2 1.348 3.036 7.945 13 HG3 ARG 2 1HG ARG 2 1.443 1.503 8.814 14 HD2 ARG 2 2HD ARG 2 3.629 3.026 7.440 15 HD3 ARG 2 1HD ARG 2 3.547 2.486 9.114 16 HE ARG 2 HE ARG 2 4.141 0.323 8.431 17 HH11 ARG 2 1HH1 ARG 2 3.964 2.528 5.704 18 HH12 ARG 2 2HH1 ARG 2 4.849 1.481 4.648 19 HH21 ARG 2 1HH2 ARG 2 5.289 -1.049 7.025 20 HH22 ARG 2 2HH2 ARG 2 5.596 -0.553 5.395 21 H THR 3 H THR 3 -2.089 2.182 5.996 22 HA THR 3 HA THR 3 -1.880 1.463 3.147 23 HB THR 3 HB THR 3 -4.422 2.496 4.343 24 HG1 THR 3 1HG THR 3 -3.285 -0.013 4.832 25 HG21 THR 3 3HG2 THR 3 -3.671 0.800 2.022 26 HG22 THR 3 1HG2 THR 3 -4.755 2.190 2.110 27 HG23 THR 3 2HG2 THR 3 -5.268 0.629 2.750 28 H LYS 4 H LYS 4 -1.702 3.037 1.656 29 HA LYS 4 HA LYS 4 -1.849 5.823 2.602 30 HB2 LYS 4 2HB LYS 4 0.079 4.397 0.943 31 HB3 LYS 4 1HB LYS 4 -0.511 5.860 0.166 32 HG2 LYS 4 2HG LYS 4 -0.002 6.784 2.659 33 HG3 LYS 4 1HG LYS 4 1.230 5.529 2.505 34 HD2 LYS 4 2HD LYS 4 1.923 6.551 0.346 35 HD3 LYS 4 1HD LYS 4 0.769 7.855 0.637 36 HE2 LYS 4 2HE LYS 4 1.967 8.316 2.787 37 HE3 LYS 4 1HE LYS 4 3.185 7.141 2.292 38 HZ1 LYS 4 3HZ LYS 4 3.933 8.501 0.607 39 HZ2 LYS 4 1HZ LYS 4 3.571 9.626 1.811 40 HZ3 LYS 4 2HZ LYS 4 2.507 9.401 0.516 41 H GLN 5 H GLN 5 -3.297 7.166 1.707 42 HA GLN 5 HA GLN 5 -4.857 6.152 -0.573 43 HB2 GLN 5 2HB GLN 5 -6.014 6.595 1.642 44 HB3 GLN 5 1HB GLN 5 -5.698 8.304 1.371 45 HG2 GLN 5 2HG GLN 5 -6.892 7.884 -0.900 46 HG3 GLN 5 1HG GLN 5 -7.538 6.463 -0.086 47 HE21 GLN 5 1HE2 GLN 5 -8.914 8.838 -1.069 48 HE22 GLN 5 2HE2 GLN 5 -9.730 9.520 0.294 49 H THR 6 H THR 6 -4.609 7.119 -2.462 50 HA THR 6 HA THR 6 -3.598 9.888 -2.511 51 HB THR 6 HB THR 6 -2.445 9.370 -4.584 52 HG1 THR 6 1HG THR 6 -3.645 7.859 -5.584 53 HG21 THR 6 3HG2 THR 6 -1.209 7.137 -3.624 54 HG22 THR 6 1HG2 THR 6 -1.874 7.856 -2.158 55 HG23 THR 6 2HG2 THR 6 -0.801 8.796 -3.194 56 H ALA 7 H ALA 7 -5.100 11.279 -3.159 57 HA ALA 7 HA ALA 7 -7.228 10.341 -4.960 58 HB1 ALA 7 1HB ALA 7 -8.188 12.690 -4.126 59 HB2 ALA 7 2HB ALA 7 -7.129 12.324 -2.763 60 HB3 ALA 7 3HB ALA 7 -8.404 11.194 -3.217 61 H ARG 8 H ARG 8 -7.950 11.707 -6.677 62 HA ARG 8 HA ARG 8 -6.464 14.026 -7.464 63 HB2 ARG 8 2HB ARG 8 -5.236 11.694 -8.156 64 HB3 ARG 8 1HB ARG 8 -6.241 11.967 -9.571 65 HG2 ARG 8 2HG ARG 8 -4.472 13.156 -10.271 66 HG3 ARG 8 1HG ARG 8 -5.180 14.422 -9.268 67 HD2 ARG 8 2HD ARG 8 -3.529 14.316 -7.746 68 HD3 ARG 8 1HD ARG 8 -3.439 12.557 -7.820 69 HE ARG 8 HE ARG 8 -2.358 13.456 -10.186 70 HH11 ARG 8 1HH1 ARG 8 -1.649 13.877 -6.781 71 HH12 ARG 8 2HH1 ARG 8 0.048 14.100 -7.037 72 HH21 ARG 8 1HH2 ARG 8 -0.121 13.745 -10.512 73 HH22 ARG 8 2HH2 ARG 8 0.916 14.025 -9.154 74 H LYS 9 H LYS 9 -8.497 14.991 -7.570 75 HA LYS 9 HA LYS 9 -10.626 13.888 -9.146 76 HB2 LYS 9 2HB LYS 9 -10.543 15.711 -7.129 77 HB3 LYS 9 1HB LYS 9 -10.703 16.773 -8.519 78 HG2 LYS 9 2HG LYS 9 -12.825 16.143 -8.933 79 HG3 LYS 9 1HG LYS 9 -12.541 14.470 -8.452 80 HD2 LYS 9 2HD LYS 9 -12.812 16.801 -6.553 81 HD3 LYS 9 1HD LYS 9 -14.098 15.655 -6.940 82 HE2 LYS 9 2HE LYS 9 -12.391 13.858 -6.194 83 HE3 LYS 9 1HE LYS 9 -11.557 15.202 -5.416 84 HZ1 LYS 9 3HZ LYS 9 -14.369 14.381 -4.921 85 HZ2 LYS 9 1HZ LYS 9 -13.587 15.688 -4.183 86 HZ3 LYS 9 2HZ LYS 9 -13.059 14.108 -3.887 87 H SER 10 H SER 10 -8.646 16.850 -9.507 88 HA SER 10 HA SER 10 -8.785 16.500 -12.413 89 HB2 SER 10 2HB SER 10 -10.285 18.424 -11.099 90 HB3 SER 10 1HB SER 10 -8.859 19.317 -11.628 91 HG SER 10 HG SER 10 -10.665 17.817 -13.214 92 H THR 11 H THR 11 -6.780 16.270 -13.093 93 HA THR 11 HA THR 11 -4.517 16.351 -13.237 94 HB THR 11 HB THR 11 -5.208 18.530 -14.218 95 HG1 THR 11 1HG THR 11 -3.138 19.328 -14.263 96 HG21 THR 11 3HG2 THR 11 -4.552 20.583 -12.902 97 HG22 THR 11 1HG2 THR 11 -4.632 19.569 -11.461 98 HG23 THR 11 2HG2 THR 11 -6.071 19.810 -12.450 99 H GLY 12 H GLY 12 -2.559 17.960 -12.001 100 HA2 GLY 12 2HA GLY 12 -2.765 17.032 -9.203 101 HA3 GLY 12 1HA GLY 12 -1.277 16.981 -10.131 102 H GLY 13 H GLY 13 -3.140 18.762 -7.948 103 HA2 GLY 13 2HA GLY 13 -1.710 21.265 -8.540 104 HA3 GLY 13 1HA GLY 13 -3.147 21.122 -7.542 105 H SER 14 H SER 14 0.306 20.980 -7.635 106 HA SER 14 HA SER 14 0.704 19.917 -5.009 107 HB2 SER 14 2HB SER 14 2.641 21.640 -6.568 108 HB3 SER 14 1HB SER 14 3.019 20.461 -5.313 109 HG SER 14 HG SER 14 3.320 19.781 -7.576 110 H SER 15 H SER 15 1.708 21.162 -3.212 111 HA SER 15 HA SER 15 0.851 23.979 -3.174 112 HB2 SER 15 2HB SER 15 0.558 22.206 -0.755 113 HB3 SER 15 1HB SER 15 -0.180 23.778 -1.064 114 HG SER 15 HG SER 15 -1.793 22.738 -1.887 115 H GLY 16 H GLY 16 2.712 21.570 -1.289 116 HA2 GLY 16 2HA GLY 16 4.368 23.556 -0.073 117 HA3 GLY 16 1HA GLY 16 4.607 21.819 -0.003 118 H SER 17 H SER 17 6.277 20.978 -1.093 119 HA SER 17 HA SER 17 7.416 22.483 -3.333 120 HB2 SER 17 2HB SER 17 9.670 22.294 -2.461 121 HB3 SER 17 1HB SER 17 8.657 23.099 -1.265 122 HG SER 17 HG SER 17 9.925 21.516 -0.275 123 H SER 18 H SER 18 8.880 21.238 -4.676 124 HA SER 18 HA SER 18 8.142 18.396 -4.713 125 HB2 SER 18 2HB SER 18 7.631 19.854 -6.719 126 HB3 SER 18 1HB SER 18 9.371 19.991 -6.972 127 HG SER 18 HG SER 18 9.460 17.940 -7.589 128 H GLN 19 H GLN 19 9.740 16.803 -5.232 129 HA GLN 19 HA GLN 19 11.754 15.761 -5.122 130 HB2 GLN 19 2HB GLN 19 12.874 18.565 -5.290 131 HB3 GLN 19 1HB GLN 19 13.861 17.112 -5.281 132 HG2 GLN 19 2HG GLN 19 11.801 17.836 -7.357 133 HG3 GLN 19 1HG GLN 19 13.550 17.961 -7.535 134 HE21 GLN 19 1HE2 GLN 19 11.850 16.481 -9.234 135 HE22 GLN 19 2HE2 GLN 19 12.274 14.812 -9.090 136 H SER 20 H SER 20 12.710 14.816 -3.425 137 HA SER 20 HA SER 20 13.334 14.368 -1.290 138 HB2 SER 20 2HB SER 20 14.928 16.262 -1.775 139 HB3 SER 20 1HB SER 20 13.781 17.344 -0.986 140 HG SER 20 HG SER 20 14.954 15.065 0.240 141 H LEU 21 H LEU 21 11.021 13.850 -1.024 142 HA LEU 21 HA LEU 21 9.621 15.738 0.745 143 HB2 LEU 21 2HB LEU 21 8.598 14.845 -1.465 144 HB3 LEU 21 1HB LEU 21 8.342 13.364 -0.564 145 HG LEU 21 HG LEU 21 7.147 14.913 1.157 146 HD11 LEU 21 1HD1 LEU 21 7.523 16.677 -1.192 147 HD12 LEU 21 2HD1 LEU 21 7.409 17.073 0.522 148 HD13 LEU 21 3HD1 LEU 21 5.949 16.713 -0.398 149 HD21 LEU 21 3HD2 LEU 21 5.082 14.407 0.159 150 HD22 LEU 21 1HD2 LEU 21 6.180 13.144 -0.394 151 HD23 LEU 21 2HD2 LEU 21 5.755 14.476 -1.468 152 H ILE 22 H ILE 22 8.692 15.013 2.675 153 HA ILE 22 HA ILE 22 10.138 12.935 4.013 154 HB ILE 22 HB ILE 22 7.687 14.400 5.011 155 HG12 ILE 22 2HG1 ILE 22 10.349 15.260 5.955 156 HG13 ILE 22 1HG1 ILE 22 10.017 15.622 4.256 157 HG21 ILE 22 1HG2 ILE 22 9.844 12.808 6.376 158 HG22 ILE 22 2HG2 ILE 22 8.101 12.541 6.402 159 HG23 ILE 22 3HG2 ILE 22 8.792 13.928 7.242 160 HD11 ILE 22 3HD1 ILE 22 8.648 16.627 6.709 161 HD12 ILE 22 1HD1 ILE 22 7.797 16.599 5.165 162 HD13 ILE 22 2HD1 ILE 22 9.292 17.523 5.332 163 H ASP 23 H ASP 23 6.918 13.235 2.601 164 HA ASP 23 HA ASP 23 6.166 10.578 3.554 165 HB2 ASP 23 2HB ASP 23 4.723 12.944 3.010 166 HB3 ASP 23 1HB ASP 23 4.211 11.772 1.803 167 H GLU 24 H GLU 24 7.454 9.205 2.339 168 HA GLU 24 HA GLU 24 7.555 9.425 -0.538 169 HB2 GLU 24 2HB GLU 24 8.720 7.525 1.475 170 HB3 GLU 24 1HB GLU 24 8.760 7.144 -0.241 171 HG2 GLU 24 2HG GLU 24 10.252 8.808 -0.721 172 HG3 GLU 24 1HG GLU 24 9.753 9.799 0.649 173 H ASP 25 H ASP 25 5.842 8.848 -1.714 174 HA ASP 25 HA ASP 25 3.869 6.992 -0.801 175 HB2 ASP 25 2HB ASP 25 4.315 8.306 -3.487 176 HB3 ASP 25 1HB ASP 25 2.928 7.285 -3.112 177 H ALA 26 H ALA 26 3.606 4.880 -1.222 178 HA ALA 26 HA ALA 26 5.793 3.357 -2.245 179 HB1 ALA 26 1HB ALA 26 4.773 1.578 -1.311 180 HB2 ALA 26 2HB ALA 26 3.188 2.013 -1.949 181 HB3 ALA 26 3HB ALA 26 3.808 2.813 -0.504 182 H VAL 27 H VAL 27 5.480 1.638 -3.937 183 HA VAL 27 HA VAL 27 3.839 2.657 -6.164 184 HB VAL 27 HB VAL 27 5.561 1.786 -7.723 185 HG11 VAL 27 1HG1 VAL 27 5.878 4.020 -7.607 186 HG12 VAL 27 2HG1 VAL 27 7.379 3.545 -6.812 187 HG13 VAL 27 3HG1 VAL 27 5.985 4.025 -5.846 188 HG21 VAL 27 3HG2 VAL 27 7.887 1.493 -6.630 189 HG22 VAL 27 1HG2 VAL 27 6.749 0.146 -6.578 190 HG23 VAL 27 2HG2 VAL 27 6.977 1.162 -5.156 191 H CYS 28 H CYS 28 2.234 1.309 -6.600 192 HA CYS 28 HA CYS 28 2.047 -1.324 -5.680 193 HB2 CYS 28 2HB CYS 28 0.056 -0.086 -6.148 194 HB3 CYS 28 1HB CYS 28 0.526 0.132 -7.839 195 H SER 29 H SER 29 2.087 -3.316 -6.755 196 HA SER 29 HA SER 29 3.936 -3.403 -9.032 197 HB2 SER 29 2HB SER 29 3.339 -5.230 -6.760 198 HB3 SER 29 1HB SER 29 3.820 -5.970 -8.286 199 HG SER 29 HG SER 29 5.259 -4.092 -6.730 200 H ILE 30 H ILE 30 0.703 -4.427 -8.019 201 HA ILE 30 HA ILE 30 0.196 -6.125 -10.236 202 HB ILE 30 HB ILE 30 -1.606 -4.739 -8.261 203 HG12 ILE 30 2HG1 ILE 30 -2.062 -7.470 -8.208 204 HG13 ILE 30 1HG1 ILE 30 -0.327 -7.358 -8.531 205 HG21 ILE 30 1HG2 ILE 30 -2.878 -4.766 -10.305 206 HG22 ILE 30 2HG2 ILE 30 -3.494 -6.028 -9.235 207 HG23 ILE 30 3HG2 ILE 30 -2.452 -6.455 -10.593 208 HD11 ILE 30 3HD1 ILE 30 -1.872 -6.583 -6.123 209 HD12 ILE 30 1HD1 ILE 30 -0.448 -5.627 -6.535 210 HD13 ILE 30 2HD1 ILE 30 -0.297 -7.364 -6.264 211 H CYS 31 H CYS 31 0.019 -2.666 -9.779 212 HA CYS 31 HA CYS 31 -0.668 -2.348 -12.594 213 HB2 CYS 31 2HB CYS 31 -2.552 -1.023 -12.250 214 HB3 CYS 31 1HB CYS 31 -2.724 -2.260 -10.999 215 H MET 32 H MET 32 -0.238 -0.180 -13.413 216 HA MET 32 HA MET 32 1.861 1.192 -11.859 217 HB2 MET 32 2HB MET 32 1.482 1.031 -14.859 218 HB3 MET 32 1HB MET 32 2.713 1.993 -14.058 219 HG2 MET 32 2HG MET 32 4.069 0.253 -13.877 220 HG3 MET 32 1HG MET 32 2.803 -0.749 -13.171 221 HE1 MET 32 3HE MET 32 5.169 -1.917 -15.367 222 HE2 MET 32 1HE MET 32 5.166 -0.215 -15.829 223 HE3 MET 32 2HE MET 32 4.768 -1.453 -17.021 224 H ASP 33 H ASP 33 -0.903 1.744 -11.467 225 HA ASP 33 HA ASP 33 -2.389 3.451 -11.316 226 HB2 ASP 33 2HB ASP 33 0.219 4.609 -11.108 227 HB3 ASP 33 1HB ASP 33 -0.823 5.729 -11.995 228 H GLY 34 H GLY 34 -1.983 2.186 -13.944 229 HA2 GLY 34 2HA GLY 34 -2.277 4.298 -15.898 230 HA3 GLY 34 1HA GLY 34 -2.373 2.560 -16.203 231 H GLU 35 H GLU 35 -4.406 2.244 -14.030 232 HA GLU 35 HA GLU 35 -6.718 2.352 -15.576 233 HB2 GLU 35 2HB GLU 35 -7.949 1.959 -13.468 234 HB3 GLU 35 1HB GLU 35 -6.563 0.894 -13.650 235 HG2 GLU 35 2HG GLU 35 -5.315 2.637 -12.221 236 HG3 GLU 35 1HG GLU 35 -6.925 3.212 -11.794 237 H SER 36 H SER 36 -5.394 4.739 -13.336 238 HA SER 36 HA SER 36 -5.895 6.916 -12.945 239 HB2 SER 36 2HB SER 36 -5.721 7.092 -15.409 240 HB3 SER 36 1HB SER 36 -7.442 6.730 -15.543 241 HG SER 36 HG SER 36 -6.300 8.962 -14.209 242 H GLN 37 H GLN 37 -7.111 6.410 -11.083 243 HA GLN 37 HA GLN 37 -10.031 6.638 -11.441 244 HB2 GLN 37 2HB GLN 37 -10.170 5.419 -9.207 245 HB3 GLN 37 1HB GLN 37 -9.660 4.461 -10.600 246 HG2 GLN 37 2HG GLN 37 -7.336 4.670 -9.896 247 HG3 GLN 37 1HG GLN 37 -7.834 5.640 -8.512 248 HE21 GLN 37 1HE2 GLN 37 -9.138 4.623 -6.884 249 HE22 GLN 37 2HE2 GLN 37 -9.030 2.918 -6.630 250 H ASN 38 H ASN 38 -11.034 7.325 -9.169 251 HA ASN 38 HA ASN 38 -10.168 9.990 -8.742 252 HB2 ASN 38 2HB ASN 38 -12.508 8.650 -8.324 253 HB3 ASN 38 1HB ASN 38 -11.919 8.832 -6.676 254 HD21 ASN 38 1HD2 ASN 38 -11.997 10.841 -9.618 255 HD22 ASN 38 2HD2 ASN 38 -12.640 12.242 -8.838 256 H SER 39 H SER 39 -10.144 7.156 -6.548 257 HA SER 39 HA SER 39 -7.679 8.068 -5.352 258 HB2 SER 39 2HB SER 39 -9.237 9.378 -4.043 259 HB3 SER 39 1HB SER 39 -10.229 7.950 -3.726 260 HG SER 39 HG SER 39 -7.514 8.175 -2.926 261 H ASN 40 H ASN 40 -6.482 6.416 -4.547 262 HA ASN 40 HA ASN 40 -7.779 3.769 -4.326 263 HB2 ASN 40 2HB ASN 40 -5.535 2.844 -5.099 264 HB3 ASN 40 1HB ASN 40 -6.491 3.677 -6.320 265 HD21 ASN 40 1HD2 ASN 40 -3.833 4.123 -4.032 266 HD22 ASN 40 2HD2 ASN 40 -3.002 5.319 -4.963 267 H VAL 41 H VAL 41 -6.205 2.174 -3.141 268 HA VAL 41 HA VAL 41 -4.913 3.541 -0.881 269 HB VAL 41 HB VAL 41 -5.780 1.737 0.637 270 HG11 VAL 41 1HG1 VAL 41 -8.305 2.842 0.100 271 HG12 VAL 41 2HG1 VAL 41 -7.121 4.062 -0.370 272 HG13 VAL 41 3HG1 VAL 41 -7.104 3.399 1.265 273 HG21 VAL 41 3HG2 VAL 41 -7.333 1.059 -1.828 274 HG22 VAL 41 1HG2 VAL 41 -8.028 0.766 -0.234 275 HG23 VAL 41 2HG2 VAL 41 -6.510 -0.008 -0.689 276 H ILE 42 H ILE 42 -2.818 3.060 -1.202 277 HA ILE 42 HA ILE 42 -2.030 0.427 -2.150 278 HB ILE 42 HB ILE 42 -0.937 2.590 -2.922 279 HG12 ILE 42 2HG1 ILE 42 1.398 1.138 -2.043 280 HG13 ILE 42 1HG1 ILE 42 0.118 0.007 -2.507 281 HG21 ILE 42 1HG2 ILE 42 0.849 3.510 -1.549 282 HG22 ILE 42 2HG2 ILE 42 0.431 2.401 -0.242 283 HG23 ILE 42 3HG2 ILE 42 -0.710 3.651 -0.737 284 HD11 ILE 42 3HD1 ILE 42 -0.026 1.622 -4.600 285 HD12 ILE 42 1HD1 ILE 42 1.124 0.288 -4.516 286 HD13 ILE 42 2HD1 ILE 42 1.653 1.931 -4.154 287 H LEU 43 H LEU 43 -0.629 -0.993 -0.997 288 HA LEU 43 HA LEU 43 -0.576 -0.538 1.914 289 HB2 LEU 43 2HB LEU 43 -1.019 -3.142 0.454 290 HB3 LEU 43 1HB LEU 43 -0.835 -2.980 2.190 291 HG LEU 43 HG LEU 43 -3.047 -1.650 0.637 292 HD11 LEU 43 1HD1 LEU 43 -4.306 -3.581 1.987 293 HD12 LEU 43 2HD1 LEU 43 -2.779 -4.404 1.664 294 HD13 LEU 43 3HD1 LEU 43 -3.742 -3.775 0.326 295 HD21 LEU 43 3HD2 LEU 43 -2.777 -2.246 3.577 296 HD22 LEU 43 1HD2 LEU 43 -4.064 -1.335 2.788 297 HD23 LEU 43 2HD2 LEU 43 -2.425 -0.686 2.837 298 H PHE 44 H PHE 44 1.325 -0.747 2.893 299 HA PHE 44 HA PHE 44 3.563 -1.878 1.336 300 HB2 PHE 44 2HB PHE 44 3.324 0.687 2.281 301 HB3 PHE 44 1HB PHE 44 4.231 -0.087 3.575 302 HD1 PHE 44 1HD PHE 44 4.328 -0.588 -0.111 303 HD2 PHE 44 2HD PHE 44 6.415 0.634 3.392 304 HE1 PHE 44 1HE PHE 44 6.398 -0.346 -1.425 305 HE2 PHE 44 2HE PHE 44 8.482 0.878 2.086 306 HZ PHE 44 HZ PHE 44 8.476 0.389 -0.327 307 H CYS 45 H CYS 45 4.726 -3.534 2.231 308 HA CYS 45 HA CYS 45 3.691 -4.838 4.517 309 HB2 CYS 45 2HB CYS 45 5.064 -5.864 2.600 310 HB3 CYS 45 1HB CYS 45 6.484 -5.307 3.498 311 H ASP 46 H ASP 46 4.544 -5.122 6.603 312 HA ASP 46 HA ASP 46 5.809 -2.754 7.650 313 HB2 ASP 46 2HB ASP 46 4.267 -4.993 8.715 314 HB3 ASP 46 1HB ASP 46 5.603 -4.512 9.768 315 H MET 47 H MET 47 6.965 -5.795 6.558 316 HA MET 47 HA MET 47 9.569 -5.197 7.792 317 HB2 MET 47 2HB MET 47 8.315 -7.170 8.861 318 HB3 MET 47 1HB MET 47 8.590 -8.019 7.340 319 HG2 MET 47 2HG MET 47 10.951 -7.925 7.629 320 HG3 MET 47 1HG MET 47 10.798 -6.838 9.008 321 HE1 MET 47 3HE MET 47 11.550 -8.656 11.563 322 HE2 MET 47 1HE MET 47 9.818 -8.562 11.869 323 HE3 MET 47 2HE MET 47 10.642 -7.235 11.050 324 H CYS 48 H CYS 48 8.020 -4.980 5.087 325 HA CYS 48 HA CYS 48 10.291 -5.702 3.436 326 HB2 CYS 48 2HB CYS 48 7.486 -6.638 2.797 327 HB3 CYS 48 1HB CYS 48 8.954 -6.968 1.885 328 H ASN 49 H ASN 49 9.368 -5.213 0.990 329 HA ASN 49 HA ASN 49 8.376 -2.452 1.095 330 HB2 ASN 49 2HB ASN 49 9.573 -2.090 -1.028 331 HB3 ASN 49 1HB ASN 49 10.664 -2.601 0.266 332 HD21 ASN 49 1HD2 ASN 49 11.170 -2.765 -2.532 333 HD22 ASN 49 2HD2 ASN 49 11.357 -4.435 -2.932 334 H LEU 50 H LEU 50 7.020 -5.277 0.714 335 HA LEU 50 HA LEU 50 5.942 -5.397 -1.861 336 HB2 LEU 50 2HB LEU 50 5.759 -7.259 -0.310 337 HB3 LEU 50 1HB LEU 50 4.748 -6.299 0.768 338 HG LEU 50 HG LEU 50 3.131 -6.158 -1.265 339 HD11 LEU 50 1HD1 LEU 50 3.364 -8.484 -2.478 340 HD12 LEU 50 2HD1 LEU 50 5.074 -8.237 -2.122 341 HD13 LEU 50 3HD1 LEU 50 4.192 -7.047 -3.077 342 HD21 LEU 50 3HD2 LEU 50 2.930 -7.467 0.937 343 HD22 LEU 50 1HD2 LEU 50 3.372 -8.876 -0.028 344 HD23 LEU 50 2HD2 LEU 50 1.920 -7.959 -0.423 345 H ALA 51 H ALA 51 5.231 -3.502 -2.688 346 HA ALA 51 HA ALA 51 3.149 -2.049 -1.223 347 HB1 ALA 51 1HB ALA 51 5.373 -1.199 -2.791 348 HB2 ALA 51 2HB ALA 51 4.217 -0.221 -1.888 349 HB3 ALA 51 3HB ALA 51 3.890 -0.643 -3.566 350 H VAL 52 H VAL 52 1.197 -2.930 -1.724 351 HA VAL 52 HA VAL 52 0.386 -2.877 -4.530 352 HB VAL 52 HB VAL 52 -0.729 -5.112 -4.321 353 HG11 VAL 52 1HG1 VAL 52 2.207 -5.523 -3.944 354 HG12 VAL 52 2HG1 VAL 52 1.617 -4.606 -5.330 355 HG13 VAL 52 3HG1 VAL 52 1.107 -6.278 -5.095 356 HG21 VAL 52 3HG2 VAL 52 1.046 -5.444 -1.902 357 HG22 VAL 52 1HG2 VAL 52 -0.015 -6.663 -2.609 358 HG23 VAL 52 2HG2 VAL 52 -0.704 -5.228 -1.852 359 H HIS 53 H HIS 53 -1.683 -2.155 -4.784 360 HA HIS 53 HA HIS 53 -3.104 -1.096 -2.596 361 HB2 HIS 53 2HB HIS 53 -4.241 -1.855 -5.298 362 HB3 HIS 53 1HB HIS 53 -4.969 -0.761 -4.137 363 HD2 HIS 53 2HD HIS 53 -3.424 1.674 -3.756 364 HE1 HIS 53 1HE HIS 53 -1.761 1.338 -7.633 365 HE2 HIS 53 2HE HIS 53 -2.002 2.826 -5.593 366 H GLN 54 H GLN 54 -4.925 -1.836 -1.453 367 HA GLN 54 HA GLN 54 -5.071 -4.618 -0.992 368 HB2 GLN 54 2HB GLN 54 -6.917 -4.152 0.481 369 HB3 GLN 54 1HB GLN 54 -5.709 -2.895 0.682 370 HG2 GLN 54 2HG GLN 54 -7.391 -1.460 0.482 371 HG3 GLN 54 1HG GLN 54 -7.356 -1.842 -1.247 372 HE21 GLN 54 1HE2 GLN 54 -8.572 -3.455 1.688 373 HE22 GLN 54 2HE2 GLN 54 -10.154 -3.760 1.065 374 H GLU 55 H GLU 55 -6.524 -2.656 -3.395 375 HA GLU 55 HA GLU 55 -8.673 -4.544 -3.960 376 HB2 GLU 55 2HB GLU 55 -9.224 -2.940 -5.809 377 HB3 GLU 55 1HB GLU 55 -9.290 -2.235 -4.201 378 HG2 GLU 55 2HG GLU 55 -6.665 -1.888 -5.299 379 HG3 GLU 55 1HG GLU 55 -7.871 -1.315 -6.446 380 H CYS 56 H CYS 56 -5.517 -3.636 -4.988 381 HA CYS 56 HA CYS 56 -5.545 -4.979 -7.510 382 HB2 CYS 56 2HB CYS 56 -3.791 -3.251 -5.995 383 HB3 CYS 56 1HB CYS 56 -2.910 -4.607 -6.633 384 H TYR 57 H TYR 57 -4.456 -5.662 -4.225 385 HA TYR 57 HA TYR 57 -3.299 -8.194 -4.957 386 HB2 TYR 57 2HB TYR 57 -2.440 -6.695 -3.110 387 HB3 TYR 57 1HB TYR 57 -3.852 -7.167 -2.173 388 HD1 TYR 57 2HD TYR 57 -0.661 -8.307 -3.587 389 HD2 TYR 57 1HD TYR 57 -4.022 -9.377 -1.207 390 HE1 TYR 57 2HE TYR 57 0.545 -10.295 -2.788 391 HE2 TYR 57 1HE TYR 57 -2.825 -11.368 -0.403 392 HH TYR 57 HH TYR 57 -0.754 -12.847 -1.516 393 H GLY 58 H GLY 58 -6.311 -7.035 -3.573 394 HA2 GLY 58 2HA GLY 58 -8.349 -8.234 -3.713 395 HA3 GLY 58 1HA GLY 58 -7.424 -9.734 -3.858 396 H VAL 59 H VAL 59 -6.893 -7.234 -1.424 397 HA VAL 59 HA VAL 59 -7.034 -9.155 0.691 398 HB VAL 59 HB VAL 59 -6.931 -6.145 0.943 399 HG11 VAL 59 1HG1 VAL 59 -5.588 -7.035 3.062 400 HG12 VAL 59 2HG1 VAL 59 -6.670 -8.410 2.836 401 HG13 VAL 59 3HG1 VAL 59 -7.334 -6.794 3.080 402 HG21 VAL 59 3HG2 VAL 59 -5.034 -6.552 -0.306 403 HG22 VAL 59 1HG2 VAL 59 -4.795 -8.158 0.382 404 HG23 VAL 59 2HG2 VAL 59 -4.417 -6.725 1.337 405 HA PRO 60 HA PRO 60 -11.486 -8.772 1.128 406 HB2 PRO 60 2HB PRO 60 -11.720 -10.469 3.251 407 HB3 PRO 60 1HB PRO 60 -11.552 -11.015 1.574 408 HG2 PRO 60 2HG PRO 60 -9.475 -10.806 3.720 409 HG3 PRO 60 1HG PRO 60 -9.733 -12.097 2.532 410 HD2 PRO 60 2HD PRO 60 -7.815 -10.215 2.233 411 HD3 PRO 60 1HD PRO 60 -8.661 -10.937 0.850 412 H TYR 61 H TYR 61 -9.323 -8.638 3.974 413 HA TYR 61 HA TYR 61 -10.898 -6.368 4.954 414 HB2 TYR 61 2HB TYR 61 -11.374 -8.702 6.092 415 HB3 TYR 61 1HB TYR 61 -9.868 -8.347 6.951 416 HD1 TYR 61 1HD TYR 61 -9.728 -6.326 8.397 417 HD2 TYR 61 2HD TYR 61 -13.395 -7.559 6.623 418 HE1 TYR 61 1HE TYR 61 -10.963 -4.901 9.974 419 HE2 TYR 61 2HE TYR 61 -14.640 -6.138 8.196 420 HH TYR 61 HH TYR 61 -14.222 -5.163 10.531 421 H ILE 62 H ILE 62 -9.729 -4.766 5.941 422 HA ILE 62 HA ILE 62 -6.829 -4.976 5.684 423 HB ILE 62 HB ILE 62 -8.444 -2.517 6.367 424 HG12 ILE 62 2HG1 ILE 62 -7.425 -3.404 3.657 425 HG13 ILE 62 1HG1 ILE 62 -9.106 -3.478 4.171 426 HG21 ILE 62 1HG2 ILE 62 -6.260 -2.042 6.959 427 HG22 ILE 62 2HG2 ILE 62 -6.322 -1.476 5.290 428 HG23 ILE 62 3HG2 ILE 62 -5.584 -3.032 5.664 429 HD11 ILE 62 3HD1 ILE 62 -8.947 -1.549 2.867 430 HD12 ILE 62 1HD1 ILE 62 -7.428 -1.061 3.619 431 HD13 ILE 62 2HD1 ILE 62 -8.932 -0.967 4.532 432 HA PRO 63 HA PRO 63 -6.577 -5.619 10.119 433 HB2 PRO 63 2HB PRO 63 -3.888 -5.847 10.261 434 HB3 PRO 63 1HB PRO 63 -4.920 -7.141 9.621 435 HG2 PRO 63 2HG PRO 63 -3.328 -5.078 8.140 436 HG3 PRO 63 1HG PRO 63 -3.485 -6.814 7.814 437 HD2 PRO 63 2HD PRO 63 -4.881 -4.927 6.451 438 HD3 PRO 63 1HD PRO 63 -5.511 -6.559 6.754 439 H GLU 64 H GLU 64 -5.862 -4.466 11.957 440 HA GLU 64 HA GLU 64 -5.050 -1.695 11.393 441 HB2 GLU 64 2HB GLU 64 -6.501 -2.848 13.782 442 HB3 GLU 64 1HB GLU 64 -6.052 -1.159 13.594 443 HG2 GLU 64 2HG GLU 64 -7.760 -0.722 12.213 444 HG3 GLU 64 1HG GLU 64 -7.609 -2.263 11.368 445 H GLY 65 H GLY 65 -3.127 -3.868 11.573 446 HA2 GLY 65 2HA GLY 65 -1.495 -2.761 13.741 447 HA3 GLY 65 1HA GLY 65 -1.752 -4.500 13.713 448 H GLN 66 H GLN 66 -0.041 -5.538 12.938 449 HA GLN 66 HA GLN 66 1.719 -4.202 11.026 450 HB2 GLN 66 2HB GLN 66 2.014 -6.720 12.664 451 HB3 GLN 66 1HB GLN 66 3.182 -6.232 11.445 452 HG2 GLN 66 2HG GLN 66 3.220 -3.997 12.795 453 HG3 GLN 66 1HG GLN 66 2.576 -5.007 14.091 454 HE21 GLN 66 1HE2 GLN 66 5.072 -5.344 11.575 455 HE22 GLN 66 2HE2 GLN 66 6.305 -5.914 12.641 456 H TRP 67 H TRP 67 2.182 -4.971 8.990 457 HA TRP 67 HA TRP 67 0.431 -7.127 8.006 458 HB2 TRP 67 2HB TRP 67 0.049 -4.769 7.110 459 HB3 TRP 67 1HB TRP 67 1.607 -4.924 6.306 460 HD1 TRP 67 HD TRP 67 -1.184 -7.603 6.533 461 HE1 TRP 67 1HE TRP 67 -1.849 -8.265 4.139 462 HE3 TRP 67 3HE TRP 67 1.729 -4.300 3.932 463 HZ2 TRP 67 2HZ TRP 67 -1.228 -7.489 1.495 464 HZ3 TRP 67 3HZ TRP 67 1.634 -4.325 1.473 465 HH2 TRP 67 HH TRP 67 0.185 -5.889 0.281 466 H LEU 68 H LEU 68 1.559 -8.942 7.762 467 HA LEU 68 HA LEU 68 4.304 -8.770 6.694 468 HB2 LEU 68 2HB LEU 68 3.030 -10.836 8.492 469 HB3 LEU 68 1HB LEU 68 4.541 -11.116 7.651 470 HG LEU 68 HG LEU 68 4.709 -10.439 10.086 471 HD11 LEU 68 1HD1 LEU 68 6.620 -10.370 8.610 472 HD12 LEU 68 2HD1 LEU 68 6.644 -8.979 9.695 473 HD13 LEU 68 3HD1 LEU 68 6.137 -8.779 8.018 474 HD21 LEU 68 3HD2 LEU 68 4.352 -8.243 10.772 475 HD22 LEU 68 1HD2 LEU 68 2.938 -8.606 9.782 476 HD23 LEU 68 2HD2 LEU 68 4.255 -7.640 9.117 477 H CYS 69 H CYS 69 4.266 -9.191 4.567 478 HA CYS 69 HA CYS 69 2.228 -10.557 3.212 479 HB2 CYS 69 2HB CYS 69 3.696 -10.504 1.265 480 HB3 CYS 69 1HB CYS 69 3.773 -8.961 2.121 481 H ARG 70 H ARG 70 2.518 -12.581 1.944 482 HA ARG 70 HA ARG 70 2.843 -14.778 3.547 483 HB2 ARG 70 2HB ARG 70 3.207 -14.640 0.559 484 HB3 ARG 70 1HB ARG 70 2.977 -16.120 1.475 485 HG2 ARG 70 2HG ARG 70 0.760 -15.697 1.881 486 HG3 ARG 70 1HG ARG 70 0.950 -13.950 1.719 487 HD2 ARG 70 2HD ARG 70 0.937 -16.007 -0.481 488 HD3 ARG 70 1HD ARG 70 -0.266 -14.751 -0.180 489 HE ARG 70 HE ARG 70 2.056 -13.375 -0.555 490 HH11 ARG 70 1HH1 ARG 70 0.285 -15.730 -2.443 491 HH12 ARG 70 2HH1 ARG 70 0.836 -15.108 -3.960 492 HH21 ARG 70 1HH2 ARG 70 2.779 -12.560 -2.558 493 HH22 ARG 70 2HH2 ARG 70 2.251 -13.310 -4.027 494 H HIS 71 H HIS 71 5.415 -13.065 1.869 495 HA HIS 71 HA HIS 71 7.281 -15.220 1.981 496 HB2 HIS 71 2HB HIS 71 7.328 -12.375 1.190 497 HB3 HIS 71 1HB HIS 71 8.855 -13.011 1.792 498 HD1 HIS 71 1HD HIS 71 6.879 -12.774 -1.221 499 HD2 HIS 71 2HD HIS 71 9.676 -15.442 0.308 500 HE1 HIS 71 1HE HIS 71 7.678 -14.115 -3.193 501 HE2 HIS 71 2HE HIS 71 9.442 -15.653 -2.259 502 H CYS 72 H CYS 72 6.771 -12.301 3.937 503 HA CYS 72 HA CYS 72 8.859 -13.075 5.760 504 HB2 CYS 72 2HB CYS 72 8.232 -11.053 6.979 505 HB3 CYS 72 1HB CYS 72 8.538 -10.752 5.260 506 H LEU 73 H LEU 73 5.297 -12.892 5.885 507 HA LEU 73 HA LEU 73 5.028 -13.678 8.565 508 HB2 LEU 73 2HB LEU 73 2.754 -14.116 8.115 509 HB3 LEU 73 1HB LEU 73 3.205 -12.775 7.083 510 HG LEU 73 HG LEU 73 3.539 -14.574 5.251 511 HD11 LEU 73 1HD1 LEU 73 3.352 -16.649 6.138 512 HD12 LEU 73 2HD1 LEU 73 1.644 -16.375 5.807 513 HD13 LEU 73 3HD1 LEU 73 2.278 -16.121 7.432 514 HD21 LEU 73 3HD2 LEU 73 0.888 -14.632 5.060 515 HD22 LEU 73 1HD2 LEU 73 1.825 -13.170 4.754 516 HD23 LEU 73 2HD2 LEU 73 1.035 -13.399 6.313 517 H GLN 74 H GLN 74 5.897 -15.453 5.731 518 HA GLN 74 HA GLN 74 5.316 -18.053 6.881 519 HB2 GLN 74 2HB GLN 74 5.153 -17.760 4.467 520 HB3 GLN 74 1HB GLN 74 6.834 -17.251 4.391 521 HG2 GLN 74 2HG GLN 74 7.550 -19.465 5.097 522 HG3 GLN 74 1HG GLN 74 5.867 -19.979 5.221 523 HE21 GLN 74 1HE2 GLN 74 5.691 -21.458 3.653 524 HE22 GLN 74 2HE2 GLN 74 6.044 -21.181 1.985 525 H SER 75 H SER 75 8.121 -15.979 6.305 526 HA SER 75 HA SER 75 10.163 -17.722 7.068 527 HB2 SER 75 2HB SER 75 10.429 -15.417 6.039 528 HB3 SER 75 1HB SER 75 10.130 -14.749 7.646 529 HG SER 75 HG SER 75 11.981 -15.762 8.386 530 H ARG 76 H ARG 76 8.180 -15.521 9.028 531 HA ARG 76 HA ARG 76 9.468 -16.284 11.486 532 HB2 ARG 76 2HB ARG 76 7.850 -14.856 12.586 533 HB3 ARG 76 1HB ARG 76 8.506 -14.032 11.181 534 HG2 ARG 76 2HG ARG 76 6.336 -13.538 10.838 535 HG3 ARG 76 1HG ARG 76 6.332 -15.123 10.063 536 HD2 ARG 76 2HD ARG 76 5.578 -16.128 12.184 537 HD3 ARG 76 1HD ARG 76 5.535 -14.523 12.910 538 HE ARG 76 HE ARG 76 3.600 -15.676 11.124 539 HH11 ARG 76 1HH1 ARG 76 4.933 -12.670 12.333 540 HH12 ARG 76 2HH1 ARG 76 3.509 -11.752 11.979 541 HH21 ARG 76 1HH2 ARG 76 1.725 -14.460 10.660 542 HH22 ARG 76 2HH2 ARG 76 1.686 -12.769 11.029 543 H ALA 77 H ALA 77 6.710 -17.382 9.654 544 HA ALA 77 HA ALA 77 5.278 -18.680 11.700 545 HB1 ALA 77 1HB ALA 77 4.290 -20.032 9.871 546 HB2 ALA 77 2HB ALA 77 5.451 -19.312 8.757 547 HB3 ALA 77 3HB ALA 77 4.253 -18.297 9.560 548 H ARG 78 H ARG 78 8.121 -19.636 9.871 549 HA ARG 78 HA ARG 78 8.107 -22.385 10.363 550 HB2 ARG 78 2HB ARG 78 10.066 -20.397 9.492 551 HB3 ARG 78 1HB ARG 78 10.793 -21.710 10.409 552 HG2 ARG 78 2HG ARG 78 9.501 -23.271 8.851 553 HG3 ARG 78 1HG ARG 78 9.259 -21.846 7.838 554 HD2 ARG 78 2HD ARG 78 11.177 -22.777 6.943 555 HD3 ARG 78 1HD ARG 78 11.825 -21.564 8.047 556 HE ARG 78 HE ARG 78 11.687 -23.864 9.527 557 HH11 ARG 78 1HH1 ARG 78 13.246 -22.937 6.533 558 HH12 ARG 78 2HH1 ARG 78 14.557 -24.050 6.727 559 HH21 ARG 78 1HH2 ARG 78 13.419 -25.329 9.779 560 HH22 ARG 78 2HH2 ARG 78 14.655 -25.408 8.568 561 HA PRO 79 HA PRO 79 10.724 -21.721 14.350 562 HB2 PRO 79 2HB PRO 79 11.084 -19.184 15.260 563 HB3 PRO 79 1HB PRO 79 12.197 -19.973 14.137 564 HG2 PRO 79 2HG PRO 79 10.000 -18.020 13.570 565 HG3 PRO 79 1HG PRO 79 11.642 -18.082 12.902 566 HD2 PRO 79 2HD PRO 79 9.493 -18.998 11.547 567 HD3 PRO 79 1HD PRO 79 11.099 -19.738 11.389 568 H ALA 80 H ALA 80 9.595 -22.268 16.111 569 HA ALA 80 HA ALA 80 6.979 -21.096 16.576 570 HB1 ALA 80 1HB ALA 80 8.425 -23.393 17.884 571 HB2 ALA 80 2HB ALA 80 7.110 -23.481 16.714 572 HB3 ALA 80 3HB ALA 80 6.807 -22.858 18.335 Start of MODEL 13 1 H1 ALA 1 1HT ALA 1 -3.761 -2.023 8.990 2 H2 ALA 1 2HT ALA 1 -2.302 -1.894 9.886 3 H3 ALA 1 3HT ALA 1 -2.923 -3.439 9.471 4 HA ALA 1 HA ALA 1 -1.067 -2.820 8.110 5 HB1 ALA 1 2HB ALA 1 -2.538 -4.334 7.095 6 HB2 ALA 1 3HB ALA 1 -2.291 -3.073 5.888 7 HB3 ALA 1 1HB ALA 1 -3.774 -3.101 6.841 8 H ARG 2 H ARG 2 0.060 -1.287 7.062 9 HA ARG 2 HA ARG 2 -0.770 1.422 7.196 10 HB2 ARG 2 2HB ARG 2 1.473 0.374 5.466 11 HB3 ARG 2 1HB ARG 2 1.318 1.971 6.186 12 HG2 ARG 2 2HG ARG 2 1.285 0.387 8.396 13 HG3 ARG 2 1HG ARG 2 2.352 -0.521 7.324 14 HD2 ARG 2 2HD ARG 2 3.258 2.040 7.000 15 HD3 ARG 2 1HD ARG 2 2.779 2.031 8.697 16 HE ARG 2 HE ARG 2 4.499 0.578 9.160 17 HH11 ARG 2 1HH1 ARG 2 4.126 0.846 5.689 18 HH12 ARG 2 2HH1 ARG 2 5.586 -0.016 5.343 19 HH21 ARG 2 1HH2 ARG 2 6.417 -0.559 8.699 20 HH22 ARG 2 2HH2 ARG 2 6.890 -0.811 7.052 21 H THR 3 H THR 3 -2.277 2.319 5.944 22 HA THR 3 HA THR 3 -2.331 1.612 3.085 23 HB THR 3 HB THR 3 -4.838 2.461 4.471 24 HG1 THR 3 1HG THR 3 -4.306 0.809 5.796 25 HG21 THR 3 3HG2 THR 3 -5.256 0.289 2.751 26 HG22 THR 3 1HG2 THR 3 -4.165 1.395 1.917 27 HG23 THR 3 2HG2 THR 3 -5.719 1.975 2.516 28 H LYS 4 H LYS 4 -1.967 3.283 1.788 29 HA LYS 4 HA LYS 4 -2.466 6.006 2.803 30 HB2 LYS 4 2HB LYS 4 -0.093 5.157 2.032 31 HB3 LYS 4 1HB LYS 4 -0.729 5.455 0.422 32 HG2 LYS 4 2HG LYS 4 -1.040 7.769 0.881 33 HG3 LYS 4 1HG LYS 4 -0.701 7.534 2.598 34 HD2 LYS 4 2HD LYS 4 1.602 6.781 1.949 35 HD3 LYS 4 1HD LYS 4 1.228 7.269 0.294 36 HE2 LYS 4 2HE LYS 4 0.797 9.560 1.096 37 HE3 LYS 4 1HE LYS 4 1.239 9.056 2.726 38 HZ1 LYS 4 3HZ LYS 4 3.456 8.608 2.004 39 HZ2 LYS 4 1HZ LYS 4 3.055 10.168 1.486 40 HZ3 LYS 4 2HZ LYS 4 3.059 8.886 0.385 41 H GLN 5 H GLN 5 -4.155 7.041 1.939 42 HA GLN 5 HA GLN 5 -5.182 6.113 -0.658 43 HB2 GLN 5 2HB GLN 5 -6.707 5.893 1.286 44 HB3 GLN 5 1HB GLN 5 -6.640 7.636 1.508 45 HG2 GLN 5 2HG GLN 5 -8.103 8.029 -0.136 46 HG3 GLN 5 1HG GLN 5 -7.399 6.808 -1.194 47 HE21 GLN 5 1HE2 GLN 5 -9.278 5.865 -1.835 48 HE22 GLN 5 2HE2 GLN 5 -10.329 4.998 -0.772 49 H THR 6 H THR 6 -5.533 7.491 -2.319 50 HA THR 6 HA THR 6 -5.077 10.356 -1.920 51 HB THR 6 HB THR 6 -3.529 10.507 -3.760 52 HG1 THR 6 1HG THR 6 -4.386 7.931 -4.270 53 HG21 THR 6 3HG2 THR 6 -2.743 9.569 -1.444 54 HG22 THR 6 1HG2 THR 6 -1.642 9.653 -2.820 55 HG23 THR 6 2HG2 THR 6 -2.411 8.123 -2.397 56 H ALA 7 H ALA 7 -6.625 11.520 -2.875 57 HA ALA 7 HA ALA 7 -8.197 10.255 -5.021 58 HB1 ALA 7 1HB ALA 7 -9.748 10.563 -3.369 59 HB2 ALA 7 2HB ALA 7 -9.902 12.093 -4.231 60 HB3 ALA 7 3HB ALA 7 -8.959 12.012 -2.743 61 H ARG 8 H ARG 8 -8.016 11.094 -6.977 62 HA ARG 8 HA ARG 8 -7.686 12.514 -8.711 63 HB2 ARG 8 2HB ARG 8 -8.564 14.369 -6.562 64 HB3 ARG 8 1HB ARG 8 -7.808 15.086 -7.975 65 HG2 ARG 8 2HG ARG 8 -10.204 13.259 -8.026 66 HG3 ARG 8 1HG ARG 8 -10.260 15.018 -8.129 67 HD2 ARG 8 2HD ARG 8 -8.451 13.792 -10.074 68 HD3 ARG 8 1HD ARG 8 -10.128 13.284 -10.257 69 HE ARG 8 HE ARG 8 -10.715 15.453 -10.837 70 HH11 ARG 8 1HH1 ARG 8 -7.341 15.323 -9.904 71 HH12 ARG 8 2HH1 ARG 8 -6.976 16.884 -10.550 72 HH21 ARG 8 1HH2 ARG 8 -10.226 17.514 -11.684 73 HH22 ARG 8 2HH2 ARG 8 -8.611 18.129 -11.562 74 H LYS 9 H LYS 9 -5.680 12.366 -9.459 75 HA LYS 9 HA LYS 9 -3.367 13.067 -7.938 76 HB2 LYS 9 2HB LYS 9 -3.875 12.079 -10.710 77 HB3 LYS 9 1HB LYS 9 -2.315 12.809 -10.363 78 HG2 LYS 9 2HG LYS 9 -2.051 10.483 -10.067 79 HG3 LYS 9 1HG LYS 9 -2.093 11.193 -8.453 80 HD2 LYS 9 2HD LYS 9 -3.531 9.453 -8.126 81 HD3 LYS 9 1HD LYS 9 -4.682 10.662 -8.690 82 HE2 LYS 9 2HE LYS 9 -5.296 9.081 -10.160 83 HE3 LYS 9 1HE LYS 9 -3.851 9.577 -11.041 84 HZ1 LYS 9 3HZ LYS 9 -2.619 7.826 -9.857 85 HZ2 LYS 9 1HZ LYS 9 -3.881 7.202 -10.798 86 HZ3 LYS 9 2HZ LYS 9 -4.055 7.319 -9.121 87 H SER 10 H SER 10 -5.081 14.576 -10.661 88 HA SER 10 HA SER 10 -5.100 16.703 -11.462 89 HB2 SER 10 2HB SER 10 -5.308 17.208 -8.962 90 HB3 SER 10 1HB SER 10 -3.581 17.565 -8.999 91 HG SER 10 HG SER 10 -5.717 18.964 -10.123 92 H THR 11 H THR 11 -3.393 18.756 -11.579 93 HA THR 11 HA THR 11 -0.663 18.178 -11.819 94 HB THR 11 HB THR 11 -1.079 16.708 -13.614 95 HG1 THR 11 1HG THR 11 -0.016 17.684 -15.252 96 HG21 THR 11 3HG2 THR 11 -2.407 17.267 -15.591 97 HG22 THR 11 1HG2 THR 11 -2.916 18.766 -14.815 98 HG23 THR 11 2HG2 THR 11 -3.382 17.212 -14.123 99 H GLY 12 H GLY 12 -3.313 20.020 -13.349 100 HA2 GLY 12 2HA GLY 12 -1.622 22.332 -13.746 101 HA3 GLY 12 1HA GLY 12 -3.340 22.220 -14.098 102 H GLY 13 H GLY 13 -1.144 23.747 -12.194 103 HA2 GLY 13 2HA GLY 13 -2.416 25.429 -10.742 104 HA3 GLY 13 1HA GLY 13 -2.989 23.993 -9.906 105 H SER 14 H SER 14 -0.650 22.473 -9.857 106 HA SER 14 HA SER 14 1.288 22.138 -8.729 107 HB2 SER 14 2HB SER 14 1.517 25.036 -9.410 108 HB3 SER 14 1HB SER 14 2.644 24.363 -8.236 109 HG SER 14 HG SER 14 3.392 22.959 -9.760 110 H SER 15 H SER 15 0.357 25.315 -7.376 111 HA SER 15 HA SER 15 0.088 26.011 -5.228 112 HB2 SER 15 2HB SER 15 -1.691 24.993 -4.063 113 HB3 SER 15 1HB SER 15 -2.028 24.649 -5.758 114 HG SER 15 HG SER 15 -2.267 22.789 -4.461 115 H GLY 16 H GLY 16 2.562 24.573 -5.698 116 HA2 GLY 16 2HA GLY 16 3.515 24.357 -3.083 117 HA3 GLY 16 1HA GLY 16 3.129 22.732 -3.628 118 H SER 17 H SER 17 4.949 21.718 -4.180 119 HA SER 17 HA SER 17 6.940 23.202 -5.773 120 HB2 SER 17 2HB SER 17 7.622 20.852 -4.008 121 HB3 SER 17 1HB SER 17 8.715 22.036 -4.724 122 HG SER 17 HG SER 17 6.985 22.309 -2.525 123 H SER 18 H SER 18 5.654 19.936 -5.120 124 HA SER 18 HA SER 18 5.373 18.113 -6.442 125 HB2 SER 18 2HB SER 18 4.254 20.059 -7.832 126 HB3 SER 18 1HB SER 18 5.609 19.770 -8.925 127 HG SER 18 HG SER 18 3.965 18.435 -9.570 128 H GLN 19 H GLN 19 8.032 18.747 -5.638 129 HA GLN 19 HA GLN 19 9.492 17.130 -7.515 130 HB2 GLN 19 2HB GLN 19 9.859 20.054 -7.418 131 HB3 GLN 19 1HB GLN 19 11.348 19.127 -7.293 132 HG2 GLN 19 2HG GLN 19 9.599 18.163 -9.407 133 HG3 GLN 19 1HG GLN 19 10.069 19.849 -9.616 134 HE21 GLN 19 1HE2 GLN 19 11.702 16.913 -8.436 135 HE22 GLN 19 2HE2 GLN 19 13.081 17.068 -9.465 136 H SER 20 H SER 20 10.929 15.892 -6.459 137 HA SER 20 HA SER 20 12.188 14.987 -4.807 138 HB2 SER 20 2HB SER 20 12.565 17.917 -4.255 139 HB3 SER 20 1HB SER 20 13.275 16.706 -3.188 140 HG SER 20 HG SER 20 13.710 16.961 -5.984 141 H LEU 21 H LEU 21 10.727 13.766 -3.701 142 HA LEU 21 HA LEU 21 8.985 14.971 -1.719 143 HB2 LEU 21 2HB LEU 21 9.078 12.494 -3.201 144 HB3 LEU 21 1HB LEU 21 8.847 12.182 -1.492 145 HG LEU 21 HG LEU 21 6.908 13.757 -1.525 146 HD11 LEU 21 1HD1 LEU 21 7.692 13.882 -4.400 147 HD12 LEU 21 2HD1 LEU 21 7.160 15.169 -3.318 148 HD13 LEU 21 3HD1 LEU 21 5.990 14.015 -3.958 149 HD21 LEU 21 3HD2 LEU 21 7.035 11.194 -3.022 150 HD22 LEU 21 1HD2 LEU 21 5.545 12.133 -3.109 151 HD23 LEU 21 2HD2 LEU 21 6.163 11.603 -1.545 152 H ILE 22 H ILE 22 8.974 14.489 0.482 153 HA ILE 22 HA ILE 22 11.605 13.788 1.561 154 HB ILE 22 HB ILE 22 10.657 14.662 3.733 155 HG12 ILE 22 2HG1 ILE 22 8.521 15.939 2.031 156 HG13 ILE 22 1HG1 ILE 22 8.234 14.407 2.865 157 HG21 ILE 22 1HG2 ILE 22 11.343 16.796 3.252 158 HG22 ILE 22 2HG2 ILE 22 10.509 16.834 1.699 159 HG23 ILE 22 3HG2 ILE 22 12.007 15.920 1.872 160 HD11 ILE 22 3HD1 ILE 22 8.767 17.112 4.042 161 HD12 ILE 22 1HD1 ILE 22 8.939 15.630 4.983 162 HD13 ILE 22 2HD1 ILE 22 7.376 16.054 4.281 163 H ASP 23 H ASP 23 8.229 12.785 1.674 164 HA ASP 23 HA ASP 23 8.785 10.690 3.617 165 HB2 ASP 23 2HB ASP 23 6.374 10.252 3.534 166 HB3 ASP 23 1HB ASP 23 6.696 11.956 3.817 167 H GLU 24 H GLU 24 8.241 11.040 0.174 168 HA GLU 24 HA GLU 24 8.470 9.617 -1.567 169 HB2 GLU 24 2HB GLU 24 10.598 9.042 -0.410 170 HB3 GLU 24 1HB GLU 24 9.761 7.727 0.404 171 HG2 GLU 24 2HG GLU 24 9.927 6.392 -1.366 172 HG3 GLU 24 1HG GLU 24 9.388 7.657 -2.470 173 H ASP 25 H ASP 25 6.339 9.239 -1.973 174 HA ASP 25 HA ASP 25 4.637 7.521 -0.564 175 HB2 ASP 25 2HB ASP 25 4.576 8.446 -3.440 176 HB3 ASP 25 1HB ASP 25 3.269 7.548 -2.681 177 H ALA 26 H ALA 26 3.688 5.489 -1.308 178 HA ALA 26 HA ALA 26 5.722 3.570 -2.002 179 HB1 ALA 26 1HB ALA 26 2.943 3.474 -0.998 180 HB2 ALA 26 2HB ALA 26 4.371 2.580 -0.478 181 HB3 ALA 26 3HB ALA 26 3.494 2.079 -1.922 182 H VAL 27 H VAL 27 5.314 1.864 -3.659 183 HA VAL 27 HA VAL 27 3.889 2.905 -6.015 184 HB VAL 27 HB VAL 27 5.695 1.989 -7.461 185 HG11 VAL 27 1HG1 VAL 27 6.035 4.281 -5.625 186 HG12 VAL 27 2HG1 VAL 27 5.987 4.233 -7.386 187 HG13 VAL 27 3HG1 VAL 27 7.460 3.778 -6.532 188 HG21 VAL 27 3HG2 VAL 27 6.809 1.236 -4.831 189 HG22 VAL 27 1HG2 VAL 27 7.955 1.873 -6.009 190 HG23 VAL 27 2HG2 VAL 27 6.981 0.458 -6.404 191 H CYS 28 H CYS 28 2.296 1.531 -6.494 192 HA CYS 28 HA CYS 28 2.096 -1.083 -5.517 193 HB2 CYS 28 2HB CYS 28 0.104 0.092 -6.082 194 HB3 CYS 28 1HB CYS 28 0.641 0.321 -7.753 195 H SER 29 H SER 29 2.212 -3.100 -6.522 196 HA SER 29 HA SER 29 4.152 -3.231 -8.717 197 HB2 SER 29 2HB SER 29 3.262 -5.581 -7.060 198 HB3 SER 29 1HB SER 29 4.774 -5.359 -7.941 199 HG SER 29 HG SER 29 4.719 -5.062 -5.525 200 H ILE 30 H ILE 30 0.885 -4.271 -7.834 201 HA ILE 30 HA ILE 30 0.493 -6.028 -10.020 202 HB ILE 30 HB ILE 30 -1.408 -4.574 -8.193 203 HG12 ILE 30 2HG1 ILE 30 -1.922 -7.233 -7.953 204 HG13 ILE 30 1HG1 ILE 30 -0.207 -7.272 -8.386 205 HG21 ILE 30 1HG2 ILE 30 -3.245 -5.896 -9.216 206 HG22 ILE 30 2HG2 ILE 30 -2.138 -6.372 -10.503 207 HG23 ILE 30 3HG2 ILE 30 -2.573 -4.675 -10.298 208 HD11 ILE 30 3HD1 ILE 30 -1.077 -7.096 -5.876 209 HD12 ILE 30 1HD1 ILE 30 -1.006 -5.377 -6.263 210 HD13 ILE 30 2HD1 ILE 30 0.438 -6.376 -6.417 211 H CYS 31 H CYS 31 0.279 -2.558 -9.689 212 HA CYS 31 HA CYS 31 -0.286 -2.349 -12.546 213 HB2 CYS 31 2HB CYS 31 -2.157 -0.974 -12.315 214 HB3 CYS 31 1HB CYS 31 -2.393 -2.174 -11.040 215 H MET 32 H MET 32 0.406 -0.396 -13.517 216 HA MET 32 HA MET 32 2.472 1.005 -11.972 217 HB2 MET 32 2HB MET 32 2.077 0.363 -14.844 218 HB3 MET 32 1HB MET 32 2.837 1.908 -14.493 219 HG2 MET 32 2HG MET 32 4.720 0.707 -14.525 220 HG3 MET 32 1HG MET 32 4.263 0.295 -12.874 221 HE1 MET 32 3HE MET 32 4.079 -1.663 -11.997 222 HE2 MET 32 1HE MET 32 5.452 -2.440 -12.789 223 HE3 MET 32 2HE MET 32 3.890 -3.255 -12.730 224 H ASP 33 H ASP 33 -0.273 1.637 -11.498 225 HA ASP 33 HA ASP 33 -1.686 3.390 -11.267 226 HB2 ASP 33 2HB ASP 33 0.577 4.394 -10.508 227 HB3 ASP 33 1HB ASP 33 0.551 5.244 -12.061 228 H GLY 34 H GLY 34 -1.779 2.128 -13.752 229 HA2 GLY 34 2HA GLY 34 -1.962 4.261 -15.750 230 HA3 GLY 34 1HA GLY 34 -2.104 2.527 -16.058 231 H GLU 35 H GLU 35 -4.032 2.400 -13.681 232 HA GLU 35 HA GLU 35 -6.425 2.477 -15.138 233 HB2 GLU 35 2HB GLU 35 -6.118 2.609 -12.132 234 HB3 GLU 35 1HB GLU 35 -7.552 2.103 -13.014 235 HG2 GLU 35 2HG GLU 35 -6.088 0.260 -13.996 236 HG3 GLU 35 1HG GLU 35 -4.930 0.677 -12.733 237 H SER 36 H SER 36 -8.281 3.840 -14.905 238 HA SER 36 HA SER 36 -7.556 6.641 -14.454 239 HB2 SER 36 2HB SER 36 -10.212 5.821 -15.566 240 HB3 SER 36 1HB SER 36 -9.230 7.235 -15.941 241 HG SER 36 HG SER 36 -9.127 4.665 -16.986 242 H GLN 37 H GLN 37 -7.958 4.929 -12.169 243 HA GLN 37 HA GLN 37 -10.565 5.387 -11.082 244 HB2 GLN 37 2HB GLN 37 -8.679 3.584 -10.513 245 HB3 GLN 37 1HB GLN 37 -8.251 4.795 -9.297 246 HG2 GLN 37 2HG GLN 37 -10.377 4.635 -8.268 247 HG3 GLN 37 1HG GLN 37 -11.032 3.694 -9.609 248 HE21 GLN 37 1HE2 GLN 37 -8.588 3.621 -7.054 249 HE22 GLN 37 2HE2 GLN 37 -8.633 1.911 -6.819 250 H ASN 38 H ASN 38 -10.934 6.586 -9.039 251 HA ASN 38 HA ASN 38 -9.576 9.175 -9.157 252 HB2 ASN 38 2HB ASN 38 -12.264 8.260 -8.353 253 HB3 ASN 38 1HB ASN 38 -11.585 9.542 -7.356 254 HD21 ASN 38 1HD2 ASN 38 -13.392 8.916 -10.039 255 HD22 ASN 38 2HD2 ASN 38 -13.201 10.421 -10.865 256 H SER 39 H SER 39 -10.664 6.849 -6.666 257 HA SER 39 HA SER 39 -8.531 7.874 -4.906 258 HB2 SER 39 2HB SER 39 -11.166 7.914 -4.336 259 HB3 SER 39 1HB SER 39 -10.756 6.309 -3.719 260 HG SER 39 HG SER 39 -10.466 8.454 -2.404 261 H ASN 40 H ASN 40 -6.906 6.530 -4.488 262 HA ASN 40 HA ASN 40 -7.388 3.626 -4.638 263 HB2 ASN 40 2HB ASN 40 -5.033 3.405 -5.504 264 HB3 ASN 40 1HB ASN 40 -6.156 4.170 -6.621 265 HD21 ASN 40 1HD2 ASN 40 -3.540 4.752 -4.351 266 HD22 ASN 40 2HD2 ASN 40 -3.046 6.266 -5.022 267 H VAL 41 H VAL 41 -6.331 2.339 -3.134 268 HA VAL 41 HA VAL 41 -4.895 3.793 -1.006 269 HB VAL 41 HB VAL 41 -5.712 2.003 0.563 270 HG11 VAL 41 1HG1 VAL 41 -6.905 3.831 1.064 271 HG12 VAL 41 2HG1 VAL 41 -8.227 2.991 0.252 272 HG13 VAL 41 3HG1 VAL 41 -7.266 4.182 -0.626 273 HG21 VAL 41 3HG2 VAL 41 -6.366 0.261 -0.909 274 HG22 VAL 41 1HG2 VAL 41 -7.452 1.327 -1.801 275 HG23 VAL 41 2HG2 VAL 41 -7.839 0.859 -0.146 276 H ILE 42 H ILE 42 -2.799 3.347 -1.205 277 HA ILE 42 HA ILE 42 -1.911 0.750 -2.159 278 HB ILE 42 HB ILE 42 -0.845 2.934 -2.872 279 HG12 ILE 42 2HG1 ILE 42 1.574 1.812 -2.159 280 HG13 ILE 42 1HG1 ILE 42 0.463 0.441 -2.053 281 HG21 ILE 42 1HG2 ILE 42 0.837 2.893 -0.434 282 HG22 ILE 42 2HG2 ILE 42 -0.769 3.610 -0.305 283 HG23 ILE 42 3HG2 ILE 42 0.384 4.238 -1.482 284 HD11 ILE 42 3HD1 ILE 42 -0.308 1.081 -4.381 285 HD12 ILE 42 1HD1 ILE 42 1.319 0.417 -4.236 286 HD13 ILE 42 2HD1 ILE 42 1.090 2.154 -4.435 287 H LEU 43 H LEU 43 -0.754 -0.756 -0.959 288 HA LEU 43 HA LEU 43 -0.735 -0.299 1.950 289 HB2 LEU 43 2HB LEU 43 -1.176 -2.849 0.404 290 HB3 LEU 43 1HB LEU 43 -0.922 -2.792 2.138 291 HG LEU 43 HG LEU 43 -3.200 -1.429 0.707 292 HD11 LEU 43 1HD1 LEU 43 -3.747 -3.647 0.463 293 HD12 LEU 43 2HD1 LEU 43 -4.476 -3.271 2.024 294 HD13 LEU 43 3HD1 LEU 43 -2.933 -4.123 1.952 295 HD21 LEU 43 3HD2 LEU 43 -2.832 -0.264 2.695 296 HD22 LEU 43 1HD2 LEU 43 -2.429 -1.730 3.589 297 HD23 LEU 43 2HD2 LEU 43 -4.097 -1.424 3.100 298 H PHE 44 H PHE 44 1.151 -0.348 2.927 299 HA PHE 44 HA PHE 44 3.463 -1.476 1.488 300 HB2 PHE 44 2HB PHE 44 3.108 1.060 2.531 301 HB3 PHE 44 1HB PHE 44 4.043 0.254 3.782 302 HD1 PHE 44 1HD PHE 44 4.116 0.054 0.062 303 HD2 PHE 44 2HD PHE 44 6.229 0.942 3.648 304 HE1 PHE 44 1HE PHE 44 6.173 0.435 -1.242 305 HE2 PHE 44 2HE PHE 44 8.282 1.324 2.353 306 HZ PHE 44 HZ PHE 44 8.257 1.071 -0.097 307 H CYS 45 H CYS 45 4.669 -3.085 2.428 308 HA CYS 45 HA CYS 45 3.550 -4.523 4.584 309 HB2 CYS 45 2HB CYS 45 5.110 -5.400 2.750 310 HB3 CYS 45 1HB CYS 45 6.432 -4.780 3.750 311 H ASP 46 H ASP 46 4.326 -4.894 6.711 312 HA ASP 46 HA ASP 46 5.382 -2.494 7.926 313 HB2 ASP 46 2HB ASP 46 3.491 -4.217 8.757 314 HB3 ASP 46 1HB ASP 46 4.888 -4.881 9.611 315 H MET 47 H MET 47 6.718 -5.446 6.810 316 HA MET 47 HA MET 47 9.200 -4.825 8.265 317 HB2 MET 47 2HB MET 47 7.785 -6.966 8.979 318 HB3 MET 47 1HB MET 47 8.590 -7.669 7.577 319 HG2 MET 47 2HG MET 47 9.958 -8.223 9.374 320 HG3 MET 47 1HG MET 47 10.762 -6.844 8.628 321 HE1 MET 47 3HE MET 47 12.051 -5.408 10.989 322 HE2 MET 47 1HE MET 47 12.073 -7.145 10.680 323 HE3 MET 47 2HE MET 47 11.662 -6.540 12.284 324 H CYS 48 H CYS 48 7.864 -4.513 5.470 325 HA CYS 48 HA CYS 48 10.271 -5.073 3.955 326 HB2 CYS 48 2HB CYS 48 7.567 -6.072 3.037 327 HB3 CYS 48 1HB CYS 48 9.125 -6.327 2.262 328 H ASN 49 H ASN 49 9.441 -4.507 1.453 329 HA ASN 49 HA ASN 49 8.347 -1.783 1.647 330 HB2 ASN 49 2HB ASN 49 10.191 -2.895 -0.486 331 HB3 ASN 49 1HB ASN 49 9.627 -1.223 -0.352 332 HD21 ASN 49 1HD2 ASN 49 10.318 -0.005 1.532 333 HD22 ASN 49 2HD2 ASN 49 11.843 -0.365 2.257 334 H LEU 50 H LEU 50 7.190 -4.674 1.046 335 HA LEU 50 HA LEU 50 6.203 -4.735 -1.549 336 HB2 LEU 50 2HB LEU 50 6.099 -6.501 0.346 337 HB3 LEU 50 1HB LEU 50 4.592 -5.704 0.795 338 HG LEU 50 HG LEU 50 4.179 -7.679 -0.580 339 HD11 LEU 50 1HD1 LEU 50 2.758 -5.582 -0.748 340 HD12 LEU 50 2HD1 LEU 50 2.621 -6.749 -2.061 341 HD13 LEU 50 3HD1 LEU 50 3.576 -5.284 -2.281 342 HD21 LEU 50 3HD2 LEU 50 5.184 -8.156 -2.545 343 HD22 LEU 50 1HD2 LEU 50 6.456 -7.130 -1.880 344 HD23 LEU 50 2HD2 LEU 50 5.293 -6.463 -3.028 345 H ALA 51 H ALA 51 5.167 -3.138 -2.516 346 HA ALA 51 HA ALA 51 3.058 -1.721 -1.033 347 HB1 ALA 51 1HB ALA 51 3.806 -0.283 -3.374 348 HB2 ALA 51 2HB ALA 51 5.268 -0.706 -2.484 349 HB3 ALA 51 3HB ALA 51 3.975 0.191 -1.687 350 H VAL 52 H VAL 52 1.130 -2.596 -1.593 351 HA VAL 52 HA VAL 52 0.438 -2.648 -4.434 352 HB VAL 52 HB VAL 52 -0.607 -4.884 -4.273 353 HG11 VAL 52 1HG1 VAL 52 1.499 -6.202 -4.331 354 HG12 VAL 52 2HG1 VAL 52 2.360 -4.778 -3.749 355 HG13 VAL 52 3HG1 VAL 52 1.549 -4.739 -5.314 356 HG21 VAL 52 3HG2 VAL 52 -1.005 -5.202 -1.981 357 HG22 VAL 52 1HG2 VAL 52 0.677 -4.876 -1.556 358 HG23 VAL 52 2HG2 VAL 52 0.252 -6.370 -2.392 359 H HIS 53 H HIS 53 -1.640 -1.985 -4.806 360 HA HIS 53 HA HIS 53 -3.177 -0.928 -2.684 361 HB2 HIS 53 2HB HIS 53 -4.183 -1.698 -5.436 362 HB3 HIS 53 1HB HIS 53 -4.965 -0.599 -4.314 363 HD2 HIS 53 2HD HIS 53 -3.443 1.844 -3.880 364 HE1 HIS 53 1HE HIS 53 -1.620 1.495 -7.683 365 HE2 HIS 53 2HE HIS 53 -1.947 2.990 -5.662 366 H GLN 54 H GLN 54 -4.960 -1.734 -1.559 367 HA GLN 54 HA GLN 54 -5.093 -4.520 -1.157 368 HB2 GLN 54 2HB GLN 54 -7.167 -4.045 0.137 369 HB3 GLN 54 1HB GLN 54 -5.796 -3.060 0.613 370 HG2 GLN 54 2HG GLN 54 -6.996 -1.234 0.315 371 HG3 GLN 54 1HG GLN 54 -7.221 -1.647 -1.391 372 HE21 GLN 54 1HE2 GLN 54 -8.421 -3.071 1.641 373 HE22 GLN 54 2HE2 GLN 54 -10.093 -2.984 1.216 374 H GLU 55 H GLU 55 -6.518 -2.545 -3.561 375 HA GLU 55 HA GLU 55 -8.636 -4.443 -4.206 376 HB2 GLU 55 2HB GLU 55 -9.057 -2.798 -6.104 377 HB3 GLU 55 1HB GLU 55 -9.325 -2.192 -4.476 378 HG2 GLU 55 2HG GLU 55 -7.690 -0.666 -4.634 379 HG3 GLU 55 1HG GLU 55 -6.614 -1.753 -5.505 380 H CYS 56 H CYS 56 -5.452 -3.533 -5.127 381 HA CYS 56 HA CYS 56 -5.417 -4.803 -7.686 382 HB2 CYS 56 2HB CYS 56 -3.729 -3.092 -6.108 383 HB3 CYS 56 1HB CYS 56 -2.807 -4.451 -6.683 384 H TYR 57 H TYR 57 -4.278 -5.546 -4.417 385 HA TYR 57 HA TYR 57 -3.190 -8.085 -5.214 386 HB2 TYR 57 2HB TYR 57 -2.316 -6.558 -3.344 387 HB3 TYR 57 1HB TYR 57 -3.644 -7.191 -2.379 388 HD1 TYR 57 2HD TYR 57 -1.168 -8.741 -4.724 389 HD2 TYR 57 1HD TYR 57 -2.892 -8.726 -0.834 390 HE1 TYR 57 2HE TYR 57 0.216 -10.678 -4.109 391 HE2 TYR 57 1HE TYR 57 -1.510 -10.661 -0.208 392 HH TYR 57 HH TYR 57 -0.256 -12.682 -1.985 393 H GLY 58 H GLY 58 -6.192 -6.904 -3.899 394 HA2 GLY 58 2HA GLY 58 -8.225 -8.084 -3.943 395 HA3 GLY 58 1HA GLY 58 -7.320 -9.591 -4.116 396 H VAL 59 H VAL 59 -6.799 -7.084 -1.678 397 HA VAL 59 HA VAL 59 -6.807 -8.986 0.444 398 HB VAL 59 HB VAL 59 -6.932 -5.968 0.642 399 HG11 VAL 59 1HG1 VAL 59 -7.490 -7.254 2.704 400 HG12 VAL 59 2HG1 VAL 59 -6.069 -6.222 2.855 401 HG13 VAL 59 3HG1 VAL 59 -5.877 -7.962 2.639 402 HG21 VAL 59 3HG2 VAL 59 -4.670 -5.824 0.387 403 HG22 VAL 59 1HG2 VAL 59 -4.981 -7.209 -0.661 404 HG23 VAL 59 2HG2 VAL 59 -4.386 -7.460 0.980 405 HA PRO 60 HA PRO 60 -11.187 -9.091 1.210 406 HB2 PRO 60 2HB PRO 60 -11.118 -10.079 3.757 407 HB3 PRO 60 1HB PRO 60 -10.875 -11.070 2.310 408 HG2 PRO 60 2HG PRO 60 -8.842 -9.894 4.169 409 HG3 PRO 60 1HG PRO 60 -8.890 -11.508 3.436 410 HD2 PRO 60 2HD PRO 60 -7.316 -9.541 2.472 411 HD3 PRO 60 1HD PRO 60 -8.063 -10.755 1.415 412 H TYR 61 H TYR 61 -9.118 -7.790 3.820 413 HA TYR 61 HA TYR 61 -10.813 -5.451 4.005 414 HB2 TYR 61 2HB TYR 61 -11.117 -7.634 5.844 415 HB3 TYR 61 1HB TYR 61 -10.456 -6.239 6.710 416 HD1 TYR 61 1HD TYR 61 -11.775 -3.982 5.347 417 HD2 TYR 61 2HD TYR 61 -13.330 -7.769 6.491 418 HE1 TYR 61 1HE TYR 61 -14.027 -3.009 5.481 419 HE2 TYR 61 2HE TYR 61 -15.591 -6.811 6.627 420 HH TYR 61 HH TYR 61 -16.480 -3.998 5.270 421 H ILE 62 H ILE 62 -9.897 -4.097 6.044 422 HA ILE 62 HA ILE 62 -6.957 -4.168 5.794 423 HB ILE 62 HB ILE 62 -8.636 -1.687 6.186 424 HG12 ILE 62 2HG1 ILE 62 -7.136 -2.444 3.682 425 HG13 ILE 62 1HG1 ILE 62 -8.822 -2.892 3.920 426 HG21 ILE 62 1HG2 ILE 62 -5.705 -2.215 5.971 427 HG22 ILE 62 2HG2 ILE 62 -6.578 -1.142 7.065 428 HG23 ILE 62 3HG2 ILE 62 -6.358 -0.690 5.374 429 HD11 ILE 62 3HD1 ILE 62 -8.718 -0.894 2.613 430 HD12 ILE 62 1HD1 ILE 62 -7.684 -0.111 3.806 431 HD13 ILE 62 2HD1 ILE 62 -9.360 -0.490 4.204 432 HA PRO 63 HA PRO 63 -7.754 -4.981 10.247 433 HB2 PRO 63 2HB PRO 63 -4.889 -5.723 10.039 434 HB3 PRO 63 1HB PRO 63 -6.244 -6.628 10.739 435 HG2 PRO 63 2HG PRO 63 -5.173 -7.342 8.399 436 HG3 PRO 63 1HG PRO 63 -6.920 -7.456 8.685 437 HD2 PRO 63 2HD PRO 63 -5.378 -5.406 7.144 438 HD3 PRO 63 1HD PRO 63 -6.949 -6.147 6.776 439 H GLU 64 H GLU 64 -6.828 -4.073 12.178 440 HA GLU 64 HA GLU 64 -5.481 -1.521 11.672 441 HB2 GLU 64 2HB GLU 64 -7.377 -2.522 13.711 442 HB3 GLU 64 1HB GLU 64 -6.148 -1.411 14.299 443 HG2 GLU 64 2HG GLU 64 -7.878 -0.797 11.922 444 HG3 GLU 64 1HG GLU 64 -8.343 -0.397 13.575 445 H GLY 65 H GLY 65 -3.998 -4.050 11.666 446 HA2 GLY 65 2HA GLY 65 -2.208 -3.534 13.963 447 HA3 GLY 65 1HA GLY 65 -2.508 -5.148 13.336 448 H GLN 66 H GLN 66 -0.920 -5.920 12.114 449 HA GLN 66 HA GLN 66 0.639 -4.023 10.483 450 HB2 GLN 66 2HB GLN 66 2.507 -5.814 10.765 451 HB3 GLN 66 1HB GLN 66 2.219 -4.657 12.054 452 HG2 GLN 66 2HG GLN 66 0.639 -7.088 12.330 453 HG3 GLN 66 1HG GLN 66 2.375 -7.382 12.323 454 HE21 GLN 66 1HE2 GLN 66 0.950 -4.410 13.506 455 HE22 GLN 66 2HE2 GLN 66 1.322 -4.674 15.173 456 H TRP 67 H TRP 67 1.587 -4.894 8.539 457 HA TRP 67 HA TRP 67 0.072 -7.176 7.457 458 HB2 TRP 67 2HB TRP 67 -0.516 -4.926 6.474 459 HB3 TRP 67 1HB TRP 67 1.128 -4.844 5.844 460 HD1 TRP 67 HD TRP 67 -1.516 -7.692 5.757 461 HE1 TRP 67 1HE TRP 67 -1.716 -8.513 3.328 462 HE3 TRP 67 3HE TRP 67 1.788 -4.481 3.534 463 HZ2 TRP 67 2HZ TRP 67 -0.623 -7.887 0.805 464 HZ3 TRP 67 3HZ TRP 67 2.153 -4.662 1.108 465 HH2 TRP 67 HH TRP 67 0.972 -6.332 -0.225 466 H LEU 68 H LEU 68 1.311 -8.887 7.107 467 HA LEU 68 HA LEU 68 4.137 -8.477 6.359 468 HB2 LEU 68 2HB LEU 68 2.819 -10.699 7.915 469 HB3 LEU 68 1HB LEU 68 4.399 -10.887 7.185 470 HG LEU 68 HG LEU 68 4.269 -10.293 9.683 471 HD11 LEU 68 1HD1 LEU 68 6.314 -9.009 9.557 472 HD12 LEU 68 2HD1 LEU 68 5.990 -8.614 7.868 473 HD13 LEU 68 3HD1 LEU 68 6.320 -10.283 8.337 474 HD21 LEU 68 3HD2 LEU 68 2.622 -8.404 9.254 475 HD22 LEU 68 1HD2 LEU 68 4.000 -7.485 8.649 476 HD23 LEU 68 2HD2 LEU 68 3.982 -8.050 10.319 477 H CYS 69 H CYS 69 4.210 -8.657 4.181 478 HA CYS 69 HA CYS 69 2.451 -10.082 2.566 479 HB2 CYS 69 2HB CYS 69 4.080 -9.797 0.768 480 HB3 CYS 69 1HB CYS 69 3.935 -8.312 1.716 481 H ARG 70 H ARG 70 3.018 -11.948 1.148 482 HA ARG 70 HA ARG 70 3.385 -14.253 2.613 483 HB2 ARG 70 2HB ARG 70 2.743 -13.654 -0.001 484 HB3 ARG 70 1HB ARG 70 4.234 -14.572 -0.153 485 HG2 ARG 70 2HG ARG 70 3.169 -16.319 1.323 486 HG3 ARG 70 1HG ARG 70 1.655 -15.435 1.126 487 HD2 ARG 70 2HD ARG 70 1.437 -16.021 -1.070 488 HD3 ARG 70 1HD ARG 70 3.177 -16.136 -1.327 489 HE ARG 70 HE ARG 70 3.046 -18.355 -0.835 490 HH11 ARG 70 1HH1 ARG 70 0.201 -16.791 0.482 491 HH12 ARG 70 2HH1 ARG 70 -0.533 -18.274 0.989 492 HH21 ARG 70 1HH2 ARG 70 2.072 -20.309 -0.166 493 HH22 ARG 70 2HH2 ARG 70 0.529 -20.272 0.620 494 H HIS 71 H HIS 71 5.904 -12.181 1.389 495 HA HIS 71 HA HIS 71 7.923 -14.211 1.309 496 HB2 HIS 71 2HB HIS 71 8.201 -11.200 1.424 497 HB3 HIS 71 1HB HIS 71 9.497 -12.336 1.066 498 HD1 HIS 71 1HD HIS 71 8.337 -10.039 -0.856 499 HD2 HIS 71 2HD HIS 71 7.580 -14.119 -1.103 500 HE1 HIS 71 1HE HIS 71 7.676 -10.458 -3.247 501 HE2 HIS 71 2HE HIS 71 7.301 -12.945 -3.390 502 H CYS 72 H CYS 72 6.991 -11.678 3.599 503 HA CYS 72 HA CYS 72 9.030 -12.490 5.466 504 HB2 CYS 72 2HB CYS 72 8.003 -10.766 6.922 505 HB3 CYS 72 1HB CYS 72 8.533 -10.176 5.339 506 H LEU 73 H LEU 73 5.463 -12.620 5.362 507 HA LEU 73 HA LEU 73 5.110 -13.851 7.852 508 HB2 LEU 73 2HB LEU 73 2.913 -14.284 7.226 509 HB3 LEU 73 1HB LEU 73 3.338 -12.865 6.294 510 HG LEU 73 HG LEU 73 3.897 -14.616 4.419 511 HD11 LEU 73 1HD1 LEU 73 3.033 -16.346 6.408 512 HD12 LEU 73 2HD1 LEU 73 3.238 -16.721 4.697 513 HD13 LEU 73 3HD1 LEU 73 1.660 -16.220 5.307 514 HD21 LEU 73 3HD2 LEU 73 2.244 -12.988 4.041 515 HD22 LEU 73 1HD2 LEU 73 1.176 -13.666 5.270 516 HD23 LEU 73 2HD2 LEU 73 1.442 -14.532 3.756 517 H GLN 74 H GLN 74 6.247 -15.102 4.823 518 HA GLN 74 HA GLN 74 5.863 -17.879 5.557 519 HB2 GLN 74 2HB GLN 74 5.779 -17.210 3.198 520 HB3 GLN 74 1HB GLN 74 7.439 -16.637 3.292 521 HG2 GLN 74 2HG GLN 74 8.295 -18.691 3.073 522 HG3 GLN 74 1HG GLN 74 7.073 -19.425 4.109 523 HE21 GLN 74 1HE2 GLN 74 8.202 -19.147 0.988 524 HE22 GLN 74 2HE2 GLN 74 6.827 -19.768 0.149 525 H SER 75 H SER 75 8.450 -15.487 5.559 526 HA SER 75 HA SER 75 10.640 -17.140 6.095 527 HB2 SER 75 2HB SER 75 10.841 -14.745 5.506 528 HB3 SER 75 1HB SER 75 10.163 -14.307 7.075 529 HG SER 75 HG SER 75 12.664 -15.460 6.474 530 H ARG 76 H ARG 76 8.504 -15.413 8.378 531 HA ARG 76 HA ARG 76 9.711 -16.592 10.689 532 HB2 ARG 76 2HB ARG 76 8.490 -14.384 10.645 533 HB3 ARG 76 1HB ARG 76 6.990 -15.294 10.530 534 HG2 ARG 76 2HG ARG 76 8.152 -16.469 12.685 535 HG3 ARG 76 1HG ARG 76 8.734 -14.810 12.836 536 HD2 ARG 76 2HD ARG 76 5.864 -15.152 12.213 537 HD3 ARG 76 1HD ARG 76 6.381 -15.657 13.821 538 HE ARG 76 HE ARG 76 6.200 -12.970 12.815 539 HH11 ARG 76 1HH1 ARG 76 7.738 -15.035 15.191 540 HH12 ARG 76 2HH1 ARG 76 8.071 -13.736 16.285 541 HH21 ARG 76 1HH2 ARG 76 6.649 -11.264 14.258 542 HH22 ARG 76 2HH2 ARG 76 7.454 -11.594 15.756 543 H ALA 77 H ALA 77 7.135 -17.516 8.533 544 HA ALA 77 HA ALA 77 5.815 -19.344 10.258 545 HB1 ALA 77 1HB ALA 77 5.083 -20.333 7.952 546 HB2 ALA 77 2HB ALA 77 5.826 -18.867 7.312 547 HB3 ALA 77 3HB ALA 77 4.498 -18.751 8.465 548 H ARG 78 H ARG 78 8.712 -19.552 8.331 549 HA ARG 78 HA ARG 78 8.934 -22.278 7.901 550 HB2 ARG 78 2HB ARG 78 10.722 -20.002 7.903 551 HB3 ARG 78 1HB ARG 78 11.529 -21.423 8.552 552 HG2 ARG 78 2HG ARG 78 11.656 -22.406 6.555 553 HG3 ARG 78 1HG ARG 78 10.001 -21.969 6.129 554 HD2 ARG 78 2HD ARG 78 11.123 -20.716 4.591 555 HD3 ARG 78 1HD ARG 78 11.066 -19.560 5.920 556 HE ARG 78 HE ARG 78 13.411 -21.150 6.066 557 HH11 ARG 78 1HH1 ARG 78 12.005 -18.471 4.304 558 HH12 ARG 78 2HH1 ARG 78 13.537 -17.774 3.897 559 HH21 ARG 78 1HH2 ARG 78 15.430 -20.223 5.524 560 HH22 ARG 78 2HH2 ARG 78 15.478 -18.766 4.590 561 HA PRO 79 HA PRO 79 11.096 -22.905 12.167 562 HB2 PRO 79 2HB PRO 79 11.067 -20.842 13.939 563 HB3 PRO 79 1HB PRO 79 12.367 -21.092 12.768 564 HG2 PRO 79 2HG PRO 79 10.020 -19.238 12.625 565 HG3 PRO 79 1HG PRO 79 11.715 -18.928 12.209 566 HD2 PRO 79 2HD PRO 79 9.846 -19.457 10.334 567 HD3 PRO 79 1HD PRO 79 11.534 -19.977 10.159 568 H ALA 80 H ALA 80 10.132 -23.780 14.002 569 HA ALA 80 HA ALA 80 8.466 -24.478 15.380 570 HB1 ALA 80 1HB ALA 80 6.873 -22.004 15.184 571 HB2 ALA 80 2HB ALA 80 8.535 -21.809 15.735 572 HB3 ALA 80 3HB ALA 80 7.440 -22.885 16.602 Start of MODEL 14 1 H1 ALA 1 1HT ALA 1 -2.689 -2.087 9.095 2 H2 ALA 1 2HT ALA 1 -1.166 -1.698 9.788 3 H3 ALA 1 3HT ALA 1 -1.591 -3.338 9.512 4 HA ALA 1 HA ALA 1 -0.065 -2.638 7.877 5 HB1 ALA 1 2HB ALA 1 -1.959 -4.165 7.286 6 HB2 ALA 1 3HB ALA 1 -1.277 -3.275 5.926 7 HB3 ALA 1 1HB ALA 1 -2.808 -2.762 6.635 8 H ARG 2 H ARG 2 0.937 -0.829 7.292 9 HA ARG 2 HA ARG 2 -0.266 1.715 7.272 10 HB2 ARG 2 2HB ARG 2 2.367 0.586 6.536 11 HB3 ARG 2 1HB ARG 2 1.947 2.108 5.759 12 HG2 ARG 2 2HG ARG 2 1.729 3.218 7.845 13 HG3 ARG 2 1HG ARG 2 1.806 1.696 8.737 14 HD2 ARG 2 2HD ARG 2 3.997 3.174 7.330 15 HD3 ARG 2 1HD ARG 2 3.939 2.608 8.996 16 HE ARG 2 HE ARG 2 4.461 0.438 8.259 17 HH11 ARG 2 1HH1 ARG 2 4.357 2.733 5.598 18 HH12 ARG 2 2HH1 ARG 2 5.201 1.688 4.508 19 HH21 ARG 2 1HH2 ARG 2 5.550 -0.930 6.804 20 HH22 ARG 2 2HH2 ARG 2 5.871 -0.396 5.190 21 H THR 3 H THR 3 -1.667 2.501 5.866 22 HA THR 3 HA THR 3 -1.429 1.730 3.033 23 HB THR 3 HB THR 3 -4.062 2.457 4.287 24 HG1 THR 3 1HG THR 3 -3.436 0.720 5.507 25 HG21 THR 3 3HG2 THR 3 -4.901 0.879 2.536 26 HG22 THR 3 1HG2 THR 3 -3.268 0.868 1.871 27 HG23 THR 3 2HG2 THR 3 -4.183 2.373 1.936 28 H LYS 4 H LYS 4 -1.527 3.334 1.533 29 HA LYS 4 HA LYS 4 -1.815 6.082 2.557 30 HB2 LYS 4 2HB LYS 4 0.410 5.404 1.532 31 HB3 LYS 4 1HB LYS 4 -0.432 5.265 -0.005 32 HG2 LYS 4 2HG LYS 4 -0.910 7.581 -0.066 33 HG3 LYS 4 1HG LYS 4 -0.429 7.795 1.619 34 HD2 LYS 4 2HD LYS 4 1.635 6.680 -0.173 35 HD3 LYS 4 1HD LYS 4 1.163 8.350 -0.494 36 HE2 LYS 4 2HE LYS 4 1.426 8.409 2.201 37 HE3 LYS 4 1HE LYS 4 2.634 7.194 1.783 38 HZ1 LYS 4 3HZ LYS 4 3.947 8.717 0.805 39 HZ2 LYS 4 1HZ LYS 4 3.112 9.812 1.783 40 HZ3 LYS 4 2HZ LYS 4 2.665 9.610 0.167 41 H GLN 5 H GLN 5 -3.663 7.045 2.046 42 HA GLN 5 HA GLN 5 -5.103 6.149 -0.358 43 HB2 GLN 5 2HB GLN 5 -6.173 5.971 1.967 44 HB3 GLN 5 1HB GLN 5 -6.304 7.724 1.913 45 HG2 GLN 5 2HG GLN 5 -7.379 6.964 -0.494 46 HG3 GLN 5 1HG GLN 5 -7.904 5.681 0.594 47 HE21 GLN 5 1HE2 GLN 5 -8.339 8.915 -0.393 48 HE22 GLN 5 2HE2 GLN 5 -9.580 9.338 0.734 49 H THR 6 H THR 6 -4.989 7.448 -2.047 50 HA THR 6 HA THR 6 -4.820 10.357 -1.598 51 HB THR 6 HB THR 6 -3.475 10.457 -3.708 52 HG1 THR 6 1HG THR 6 -3.988 8.499 -4.648 53 HG21 THR 6 3HG2 THR 6 -1.708 8.705 -2.296 54 HG22 THR 6 1HG2 THR 6 -2.581 9.731 -1.158 55 HG23 THR 6 2HG2 THR 6 -1.648 10.458 -2.466 56 H ALA 7 H ALA 7 -6.514 11.421 -2.371 57 HA ALA 7 HA ALA 7 -8.079 10.203 -4.549 58 HB1 ALA 7 1HB ALA 7 -9.326 10.410 -2.474 59 HB2 ALA 7 2HB ALA 7 -9.989 11.495 -3.698 60 HB3 ALA 7 3HB ALA 7 -8.969 12.136 -2.410 61 H ARG 8 H ARG 8 -7.988 11.169 -6.466 62 HA ARG 8 HA ARG 8 -6.731 13.752 -6.762 63 HB2 ARG 8 2HB ARG 8 -6.748 11.559 -8.330 64 HB3 ARG 8 1HB ARG 8 -8.043 12.468 -9.094 65 HG2 ARG 8 2HG ARG 8 -6.039 14.343 -8.767 66 HG3 ARG 8 1HG ARG 8 -5.173 12.867 -9.197 67 HD2 ARG 8 2HD ARG 8 -7.236 12.807 -10.966 68 HD3 ARG 8 1HD ARG 8 -6.974 14.544 -10.804 69 HE ARG 8 HE ARG 8 -4.494 13.299 -11.193 70 HH11 ARG 8 1HH1 ARG 8 -7.447 13.947 -12.958 71 HH12 ARG 8 2HH1 ARG 8 -6.665 13.973 -14.502 72 HH21 ARG 8 1HH2 ARG 8 -3.468 13.331 -13.231 73 HH22 ARG 8 2HH2 ARG 8 -4.405 13.622 -14.658 74 H LYS 9 H LYS 9 -7.744 15.417 -8.240 75 HA LYS 9 HA LYS 9 -10.658 15.526 -8.123 76 HB2 LYS 9 2HB LYS 9 -9.400 16.638 -6.062 77 HB3 LYS 9 1HB LYS 9 -9.213 17.965 -7.199 78 HG2 LYS 9 2HG LYS 9 -11.684 17.935 -7.528 79 HG3 LYS 9 1HG LYS 9 -11.787 16.746 -6.227 80 HD2 LYS 9 2HD LYS 9 -10.598 18.398 -4.760 81 HD3 LYS 9 1HD LYS 9 -10.778 19.581 -6.055 82 HE2 LYS 9 2HE LYS 9 -13.051 19.744 -5.777 83 HE3 LYS 9 1HE LYS 9 -13.193 18.120 -5.105 84 HZ1 LYS 9 3HZ LYS 9 -13.363 20.284 -3.617 85 HZ2 LYS 9 1HZ LYS 9 -11.684 20.075 -3.546 86 HZ3 LYS 9 2HZ LYS 9 -12.715 18.838 -3.027 87 H SER 10 H SER 10 -11.592 17.159 -9.494 88 HA SER 10 HA SER 10 -9.875 17.789 -11.776 89 HB2 SER 10 2HB SER 10 -12.737 17.250 -11.402 90 HB3 SER 10 1HB SER 10 -12.409 18.605 -12.485 91 HG SER 10 HG SER 10 -11.178 17.251 -13.767 92 H THR 11 H THR 11 -12.191 19.419 -9.604 93 HA THR 11 HA THR 11 -11.167 22.016 -10.505 94 HB THR 11 HB THR 11 -13.162 22.739 -8.886 95 HG1 THR 11 1HG THR 11 -14.790 21.229 -8.872 96 HG21 THR 11 3HG2 THR 11 -14.034 21.571 -11.482 97 HG22 THR 11 1HG2 THR 11 -12.922 22.939 -11.462 98 HG23 THR 11 2HG2 THR 11 -14.509 23.083 -10.707 99 H GLY 12 H GLY 12 -9.483 20.402 -8.889 100 HA2 GLY 12 2HA GLY 12 -8.446 22.158 -7.073 101 HA3 GLY 12 1HA GLY 12 -9.635 21.248 -6.151 102 H GLY 13 H GLY 13 -8.582 19.822 -4.927 103 HA2 GLY 13 2HA GLY 13 -7.429 17.864 -4.486 104 HA3 GLY 13 1HA GLY 13 -6.982 17.777 -6.183 105 H SER 14 H SER 14 -5.802 18.174 -3.124 106 HA SER 14 HA SER 14 -3.208 18.967 -4.127 107 HB2 SER 14 2HB SER 14 -3.133 20.707 -2.122 108 HB3 SER 14 1HB SER 14 -3.727 21.172 -3.716 109 HG SER 14 HG SER 14 -5.028 21.579 -1.627 110 H SER 15 H SER 15 -4.861 18.863 -0.955 111 HA SER 15 HA SER 15 -4.465 17.673 0.941 112 HB2 SER 15 2HB SER 15 -3.487 15.844 -1.191 113 HB3 SER 15 1HB SER 15 -2.983 15.484 0.461 114 HG SER 15 HG SER 15 -4.881 14.506 0.414 115 H GLY 16 H GLY 16 -2.573 16.676 2.304 116 HA2 GLY 16 2HA GLY 16 -0.045 16.789 2.405 117 HA3 GLY 16 1HA GLY 16 -0.255 18.475 1.964 118 H SER 17 H SER 17 1.156 17.928 4.200 119 HA SER 17 HA SER 17 -0.696 18.391 6.441 120 HB2 SER 17 2HB SER 17 1.401 17.869 7.836 121 HB3 SER 17 1HB SER 17 0.664 16.524 6.965 122 HG SER 17 HG SER 17 2.376 16.381 5.729 123 H SER 18 H SER 18 2.678 19.298 5.761 124 HA SER 18 HA SER 18 2.099 22.110 5.769 125 HB2 SER 18 2HB SER 18 2.233 21.220 8.265 126 HB3 SER 18 1HB SER 18 3.970 21.316 7.968 127 HG SER 18 HG SER 18 3.573 23.316 8.607 128 H GLN 19 H GLN 19 4.704 19.735 6.327 129 HA GLN 19 HA GLN 19 6.394 21.264 4.464 130 HB2 GLN 19 2HB GLN 19 8.321 20.165 5.544 131 HB3 GLN 19 1HB GLN 19 7.372 21.116 6.676 132 HG2 GLN 19 2HG GLN 19 6.237 18.649 6.928 133 HG3 GLN 19 1HG GLN 19 7.924 18.248 6.625 134 HE21 GLN 19 1HE2 GLN 19 5.754 18.802 8.987 135 HE22 GLN 19 2HE2 GLN 19 6.807 19.336 10.248 136 H SER 20 H SER 20 5.289 17.995 5.302 137 HA SER 20 HA SER 20 5.303 16.026 4.161 138 HB2 SER 20 2HB SER 20 4.905 18.111 2.070 139 HB3 SER 20 1HB SER 20 5.254 16.471 1.523 140 HG SER 20 HG SER 20 2.954 17.461 2.437 141 H LEU 21 H LEU 21 7.853 17.075 4.954 142 HA LEU 21 HA LEU 21 9.760 16.697 2.860 143 HB2 LEU 21 2HB LEU 21 9.755 17.566 5.591 144 HB3 LEU 21 1HB LEU 21 10.984 16.334 5.394 145 HG LEU 21 HG LEU 21 11.805 17.726 3.394 146 HD11 LEU 21 1HD1 LEU 21 9.756 19.145 3.293 147 HD12 LEU 21 2HD1 LEU 21 11.264 20.057 3.382 148 HD13 LEU 21 3HD1 LEU 21 10.254 19.884 4.818 149 HD21 LEU 21 3HD2 LEU 21 12.203 19.303 5.860 150 HD22 LEU 21 1HD2 LEU 21 13.384 18.609 4.750 151 HD23 LEU 21 2HD2 LEU 21 12.595 17.586 5.950 152 H ILE 22 H ILE 22 10.515 14.836 2.084 153 HA ILE 22 HA ILE 22 11.010 12.636 1.812 154 HB ILE 22 HB ILE 22 11.038 12.420 4.825 155 HG12 ILE 22 2HG1 ILE 22 13.663 12.694 4.059 156 HG13 ILE 22 1HG1 ILE 22 12.846 13.834 2.980 157 HG21 ILE 22 1HG2 ILE 22 12.108 10.759 2.583 158 HG22 ILE 22 2HG2 ILE 22 11.218 10.264 4.023 159 HG23 ILE 22 3HG2 ILE 22 12.910 10.746 4.153 160 HD11 ILE 22 3HD1 ILE 22 11.742 14.323 5.479 161 HD12 ILE 22 1HD1 ILE 22 12.952 15.295 4.642 162 HD13 ILE 22 2HD1 ILE 22 13.456 14.056 5.790 163 H ASP 23 H ASP 23 9.009 12.108 0.889 164 HA ASP 23 HA ASP 23 7.036 10.861 2.688 165 HB2 ASP 23 2HB ASP 23 6.621 12.845 0.849 166 HB3 ASP 23 1HB ASP 23 6.213 11.413 -0.086 167 H GLU 24 H GLU 24 6.142 8.842 2.167 168 HA GLU 24 HA GLU 24 7.654 7.310 0.149 169 HB2 GLU 24 2HB GLU 24 7.201 5.298 1.566 170 HB3 GLU 24 1HB GLU 24 8.261 6.486 2.308 171 HG2 GLU 24 2HG GLU 24 6.844 6.883 3.996 172 HG3 GLU 24 1HG GLU 24 5.427 6.842 2.949 173 H ASP 25 H ASP 25 5.943 8.139 -1.310 174 HA ASP 25 HA ASP 25 3.243 7.408 -1.069 175 HB2 ASP 25 2HB ASP 25 4.945 8.039 -3.478 176 HB3 ASP 25 1HB ASP 25 3.219 7.723 -3.593 177 H ALA 26 H ALA 26 6.030 5.620 -2.228 178 HA ALA 26 HA ALA 26 6.325 3.401 -2.659 179 HB1 ALA 26 1HB ALA 26 4.913 1.842 -1.740 180 HB2 ALA 26 2HB ALA 26 3.461 2.761 -2.133 181 HB3 ALA 26 3HB ALA 26 4.492 3.267 -0.793 182 H VAL 27 H VAL 27 5.775 1.730 -4.255 183 HA VAL 27 HA VAL 27 4.093 2.735 -6.448 184 HB VAL 27 HB VAL 27 5.791 1.692 -8.033 185 HG11 VAL 27 1HG1 VAL 27 5.495 4.103 -7.793 186 HG12 VAL 27 2HG1 VAL 27 7.191 3.698 -8.056 187 HG13 VAL 27 3HG1 VAL 27 6.624 4.114 -6.439 188 HG21 VAL 27 3HG2 VAL 27 7.788 0.920 -7.331 189 HG22 VAL 27 1HG2 VAL 27 6.969 0.731 -5.782 190 HG23 VAL 27 2HG2 VAL 27 7.949 2.164 -6.091 191 H CYS 28 H CYS 28 2.480 1.358 -6.737 192 HA CYS 28 HA CYS 28 2.341 -1.228 -5.727 193 HB2 CYS 28 2HB CYS 28 0.336 -0.029 -6.205 194 HB3 CYS 28 1HB CYS 28 0.766 0.122 -7.913 195 H SER 29 H SER 29 2.361 -3.275 -6.707 196 HA SER 29 HA SER 29 4.199 -3.470 -8.981 197 HB2 SER 29 2HB SER 29 4.382 -4.701 -6.618 198 HB3 SER 29 1HB SER 29 3.374 -5.887 -7.449 199 HG SER 29 HG SER 29 5.977 -5.010 -8.099 200 H ILE 30 H ILE 30 0.929 -4.396 -7.984 201 HA ILE 30 HA ILE 30 0.448 -6.169 -10.155 202 HB ILE 30 HB ILE 30 -1.356 -4.729 -8.227 203 HG12 ILE 30 2HG1 ILE 30 -1.910 -7.415 -8.119 204 HG13 ILE 30 1HG1 ILE 30 -0.189 -7.416 -8.529 205 HG21 ILE 30 1HG2 ILE 30 -2.612 -4.723 -10.280 206 HG22 ILE 30 2HG2 ILE 30 -3.268 -5.970 -9.219 207 HG23 ILE 30 3HG2 ILE 30 -2.226 -6.421 -10.569 208 HD11 ILE 30 3HD1 ILE 30 0.174 -7.226 -6.349 209 HD12 ILE 30 1HD1 ILE 30 -1.508 -6.817 -6.020 210 HD13 ILE 30 2HD1 ILE 30 -0.373 -5.556 -6.501 211 H CYS 31 H CYS 31 0.194 -2.697 -9.754 212 HA CYS 31 HA CYS 31 -0.472 -2.467 -12.595 213 HB2 CYS 31 2HB CYS 31 -2.257 -0.997 -12.253 214 HB3 CYS 31 1HB CYS 31 -2.483 -2.220 -10.995 215 H MET 32 H MET 32 0.093 -0.427 -13.559 216 HA MET 32 HA MET 32 2.434 0.783 -12.276 217 HB2 MET 32 2HB MET 32 1.759 0.066 -14.959 218 HB3 MET 32 1HB MET 32 2.002 1.805 -14.911 219 HG2 MET 32 2HG MET 32 4.188 1.288 -13.700 220 HG3 MET 32 1HG MET 32 3.944 -0.374 -14.233 221 HE1 MET 32 3HE MET 32 3.511 -0.873 -17.053 222 HE2 MET 32 1HE MET 32 3.570 0.477 -18.186 223 HE3 MET 32 2HE MET 32 2.332 0.433 -16.931 224 H ASP 33 H ASP 33 -0.074 1.498 -11.206 225 HA ASP 33 HA ASP 33 -1.360 3.267 -10.610 226 HB2 ASP 33 2HB ASP 33 1.009 4.883 -11.593 227 HB3 ASP 33 1HB ASP 33 -0.272 5.459 -10.517 228 H GLY 34 H GLY 34 -1.757 2.232 -13.275 229 HA2 GLY 34 2HA GLY 34 -2.497 4.670 -14.766 230 HA3 GLY 34 1HA GLY 34 -2.279 3.067 -15.479 231 H GLU 35 H GLU 35 -4.025 3.626 -12.485 232 HA GLU 35 HA GLU 35 -6.361 2.333 -13.548 233 HB2 GLU 35 2HB GLU 35 -5.476 3.318 -10.878 234 HB3 GLU 35 1HB GLU 35 -7.203 3.129 -11.143 235 HG2 GLU 35 2HG GLU 35 -5.363 0.888 -11.833 236 HG3 GLU 35 1HG GLU 35 -5.797 1.178 -10.149 237 H SER 36 H SER 36 -8.569 3.311 -13.071 238 HA SER 36 HA SER 36 -8.564 6.180 -13.757 239 HB2 SER 36 2HB SER 36 -10.847 5.539 -14.872 240 HB3 SER 36 1HB SER 36 -9.341 5.212 -15.727 241 HG SER 36 HG SER 36 -10.840 3.357 -14.179 242 H GLN 37 H GLN 37 -8.694 5.018 -11.089 243 HA GLN 37 HA GLN 37 -11.473 5.487 -10.288 244 HB2 GLN 37 2HB GLN 37 -9.542 3.663 -9.423 245 HB3 GLN 37 1HB GLN 37 -9.643 4.850 -8.118 246 HG2 GLN 37 2HG GLN 37 -12.135 3.663 -9.265 247 HG3 GLN 37 1HG GLN 37 -11.177 2.760 -8.095 248 HE21 GLN 37 1HE2 GLN 37 -10.873 3.666 -5.994 249 HE22 GLN 37 2HE2 GLN 37 -12.020 4.787 -5.353 250 H ASN 38 H ASN 38 -11.933 6.878 -8.453 251 HA ASN 38 HA ASN 38 -10.576 9.388 -8.659 252 HB2 ASN 38 2HB ASN 38 -12.774 8.458 -6.799 253 HB3 ASN 38 1HB ASN 38 -12.186 10.114 -6.885 254 HD21 ASN 38 1HD2 ASN 38 -14.384 7.890 -8.104 255 HD22 ASN 38 2HD2 ASN 38 -14.941 8.801 -9.462 256 H SER 39 H SER 39 -10.553 6.729 -6.354 257 HA SER 39 HA SER 39 -8.312 8.021 -4.961 258 HB2 SER 39 2HB SER 39 -10.651 8.115 -3.762 259 HB3 SER 39 1HB SER 39 -10.290 6.429 -3.369 260 HG SER 39 HG SER 39 -9.188 7.277 -1.790 261 H ASN 40 H ASN 40 -6.855 6.563 -3.901 262 HA ASN 40 HA ASN 40 -7.167 3.715 -4.491 263 HB2 ASN 40 2HB ASN 40 -4.851 3.582 -5.386 264 HB3 ASN 40 1HB ASN 40 -5.925 4.527 -6.410 265 HD21 ASN 40 1HD2 ASN 40 -3.259 4.655 -4.157 266 HD22 ASN 40 2HD2 ASN 40 -2.742 6.253 -4.561 267 H VAL 41 H VAL 41 -5.996 2.335 -3.126 268 HA VAL 41 HA VAL 41 -4.622 3.654 -0.878 269 HB VAL 41 HB VAL 41 -5.473 1.796 0.587 270 HG11 VAL 41 1HG1 VAL 41 -7.981 2.828 0.294 271 HG12 VAL 41 2HG1 VAL 41 -6.983 4.060 -0.476 272 HG13 VAL 41 3HG1 VAL 41 -6.666 3.585 1.191 273 HG21 VAL 41 3HG2 VAL 41 -7.672 0.784 -0.254 274 HG22 VAL 41 1HG2 VAL 41 -6.166 0.105 -0.869 275 HG23 VAL 41 2HG2 VAL 41 -7.105 1.219 -1.865 276 H ILE 42 H ILE 42 -2.526 3.219 -1.237 277 HA ILE 42 HA ILE 42 -1.704 0.605 -2.213 278 HB ILE 42 HB ILE 42 -0.656 2.776 -3.002 279 HG12 ILE 42 2HG1 ILE 42 1.758 1.497 -2.222 280 HG13 ILE 42 1HG1 ILE 42 0.538 0.230 -2.432 281 HG21 ILE 42 1HG2 ILE 42 -0.390 3.370 -0.376 282 HG22 ILE 42 2HG2 ILE 42 0.541 4.124 -1.670 283 HG23 ILE 42 3HG2 ILE 42 1.230 2.784 -0.754 284 HD11 ILE 42 3HD1 ILE 42 1.389 0.365 -4.542 285 HD12 ILE 42 1HD1 ILE 42 1.713 2.096 -4.425 286 HD13 ILE 42 2HD1 ILE 42 0.064 1.520 -4.668 287 H LEU 43 H LEU 43 -0.387 -0.847 -1.063 288 HA LEU 43 HA LEU 43 -0.272 -0.379 1.845 289 HB2 LEU 43 2HB LEU 43 -0.709 -2.983 0.383 290 HB3 LEU 43 1HB LEU 43 -0.512 -2.823 2.117 291 HG LEU 43 HG LEU 43 -2.746 -1.491 0.600 292 HD11 LEU 43 1HD1 LEU 43 -2.481 -4.262 1.629 293 HD12 LEU 43 2HD1 LEU 43 -3.349 -3.653 0.220 294 HD13 LEU 43 3HD1 LEU 43 -4.028 -3.438 1.834 295 HD21 LEU 43 3HD2 LEU 43 -3.738 -1.184 2.735 296 HD22 LEU 43 1HD2 LEU 43 -2.071 -0.625 2.854 297 HD23 LEU 43 2HD2 LEU 43 -2.523 -2.195 3.515 298 H PHE 44 H PHE 44 1.637 -0.612 2.819 299 HA PHE 44 HA PHE 44 3.853 -1.774 1.252 300 HB2 PHE 44 2HB PHE 44 3.661 0.824 2.100 301 HB3 PHE 44 1HB PHE 44 4.566 0.089 3.418 302 HD1 PHE 44 1HD PHE 44 4.530 0.075 -0.311 303 HD2 PHE 44 2HD PHE 44 6.853 0.124 3.255 304 HE1 PHE 44 1HE PHE 44 6.590 0.232 -1.653 305 HE2 PHE 44 2HE PHE 44 8.912 0.276 1.920 306 HZ PHE 44 HZ PHE 44 8.782 0.330 -0.539 307 H CYS 45 H CYS 45 4.974 -3.433 2.173 308 HA CYS 45 HA CYS 45 3.969 -4.613 4.542 309 HB2 CYS 45 2HB CYS 45 5.214 -5.769 2.619 310 HB3 CYS 45 1HB CYS 45 6.696 -5.229 3.424 311 H ASP 46 H ASP 46 4.887 -4.857 6.605 312 HA ASP 46 HA ASP 46 6.322 -2.515 7.494 313 HB2 ASP 46 2HB ASP 46 4.540 -4.431 8.674 314 HB3 ASP 46 1HB ASP 46 6.002 -4.293 9.661 315 H MET 47 H MET 47 7.250 -5.647 6.497 316 HA MET 47 HA MET 47 9.906 -5.201 7.690 317 HB2 MET 47 2HB MET 47 8.144 -7.541 7.959 318 HB3 MET 47 1HB MET 47 9.773 -7.939 7.412 319 HG2 MET 47 2HG MET 47 9.878 -8.110 9.727 320 HG3 MET 47 1HG MET 47 10.592 -6.538 9.376 321 HE1 MET 47 3HE MET 47 9.155 -4.777 12.149 322 HE2 MET 47 1HE MET 47 10.544 -5.463 11.306 323 HE3 MET 47 2HE MET 47 9.693 -6.414 12.524 324 H CYS 48 H CYS 48 8.317 -4.942 5.010 325 HA CYS 48 HA CYS 48 10.510 -5.792 3.317 326 HB2 CYS 48 2HB CYS 48 7.654 -6.619 2.755 327 HB3 CYS 48 1HB CYS 48 9.085 -7.031 1.823 328 H ASN 49 H ASN 49 9.530 -5.290 0.882 329 HA ASN 49 HA ASN 49 8.639 -2.490 0.997 330 HB2 ASN 49 2HB ASN 49 10.182 -3.815 -1.246 331 HB3 ASN 49 1HB ASN 49 9.824 -2.093 -1.067 332 HD21 ASN 49 1HD2 ASN 49 11.672 -4.785 0.227 333 HD22 ASN 49 2HD2 ASN 49 12.877 -3.821 1.002 334 H LEU 50 H LEU 50 7.244 -5.327 0.632 335 HA LEU 50 HA LEU 50 6.067 -5.463 -1.868 336 HB2 LEU 50 2HB LEU 50 5.879 -7.221 -0.161 337 HB3 LEU 50 1HB LEU 50 4.824 -6.179 0.795 338 HG LEU 50 HG LEU 50 3.425 -6.217 -1.496 339 HD11 LEU 50 1HD1 LEU 50 4.228 -9.059 -1.477 340 HD12 LEU 50 2HD1 LEU 50 5.343 -7.924 -2.239 341 HD13 LEU 50 3HD1 LEU 50 3.677 -8.040 -2.805 342 HD21 LEU 50 3HD2 LEU 50 3.024 -8.629 0.152 343 HD22 LEU 50 1HD2 LEU 50 1.893 -7.349 -0.291 344 HD23 LEU 50 2HD2 LEU 50 3.045 -7.092 1.019 345 H ALA 51 H ALA 51 5.462 -3.522 -2.729 346 HA ALA 51 HA ALA 51 3.433 -1.967 -1.299 347 HB1 ALA 51 1HB ALA 51 5.700 -1.106 -2.530 348 HB2 ALA 51 2HB ALA 51 4.283 -0.102 -2.225 349 HB3 ALA 51 3HB ALA 51 4.502 -0.861 -3.800 350 H VAL 52 H VAL 52 1.465 -2.853 -1.778 351 HA VAL 52 HA VAL 52 0.634 -2.784 -4.580 352 HB VAL 52 HB VAL 52 -0.531 -5.015 -4.302 353 HG11 VAL 52 1HG1 VAL 52 1.482 -6.336 -4.825 354 HG12 VAL 52 2HG1 VAL 52 2.486 -4.985 -4.298 355 HG13 VAL 52 3HG1 VAL 52 1.430 -4.807 -5.700 356 HG21 VAL 52 3HG2 VAL 52 -0.531 -5.486 -2.029 357 HG22 VAL 52 1HG2 VAL 52 1.163 -5.031 -1.829 358 HG23 VAL 52 2HG2 VAL 52 0.743 -6.538 -2.643 359 H HIS 53 H HIS 53 -1.437 -2.041 -4.819 360 HA HIS 53 HA HIS 53 -2.830 -0.971 -2.619 361 HB2 HIS 53 2HB HIS 53 -4.018 -1.731 -5.302 362 HB3 HIS 53 1HB HIS 53 -4.705 -0.609 -4.142 363 HD2 HIS 53 2HD HIS 53 -3.163 1.817 -3.834 364 HE1 HIS 53 1HE HIS 53 -1.463 1.378 -7.685 365 HE2 HIS 53 2HE HIS 53 -1.715 2.916 -5.683 366 H GLN 54 H GLN 54 -4.655 -1.703 -1.459 367 HA GLN 54 HA GLN 54 -4.762 -4.474 -0.955 368 HB2 GLN 54 2HB GLN 54 -6.606 -4.019 0.513 369 HB3 GLN 54 1HB GLN 54 -5.429 -2.728 0.682 370 HG2 GLN 54 2HG GLN 54 -7.118 -1.318 0.436 371 HG3 GLN 54 1HG GLN 54 -7.145 -1.789 -1.271 372 HE21 GLN 54 1HE2 GLN 54 -8.187 -3.340 1.764 373 HE22 GLN 54 2HE2 GLN 54 -9.797 -3.676 1.237 374 H GLU 55 H GLU 55 -6.284 -2.583 -3.389 375 HA GLU 55 HA GLU 55 -8.367 -4.558 -3.909 376 HB2 GLU 55 2HB GLU 55 -7.761 -1.803 -4.850 377 HB3 GLU 55 1HB GLU 55 -8.585 -2.866 -5.980 378 HG2 GLU 55 2HG GLU 55 -10.055 -3.267 -3.746 379 HG3 GLU 55 1HG GLU 55 -9.560 -1.590 -3.527 380 H CYS 56 H CYS 56 -5.236 -3.609 -4.926 381 HA CYS 56 HA CYS 56 -5.243 -4.946 -7.456 382 HB2 CYS 56 2HB CYS 56 -3.554 -3.146 -5.965 383 HB3 CYS 56 1HB CYS 56 -2.617 -4.483 -6.570 384 H TYR 57 H TYR 57 -3.931 -5.537 -4.215 385 HA TYR 57 HA TYR 57 -2.767 -8.047 -4.963 386 HB2 TYR 57 2HB TYR 57 -2.012 -6.414 -3.097 387 HB3 TYR 57 1HB TYR 57 -3.258 -7.189 -2.127 388 HD1 TYR 57 2HD TYR 57 -0.249 -7.975 -4.186 389 HD2 TYR 57 1HD TYR 57 -2.759 -9.138 -0.951 390 HE1 TYR 57 2HE TYR 57 1.334 -9.765 -3.607 391 HE2 TYR 57 1HE TYR 57 -1.181 -10.929 -0.364 392 HH TYR 57 HH TYR 57 1.210 -12.018 -2.384 393 H GLY 58 H GLY 58 -5.813 -6.989 -3.644 394 HA2 GLY 58 2HA GLY 58 -7.781 -8.303 -3.752 395 HA3 GLY 58 1HA GLY 58 -6.780 -9.759 -3.752 396 H VAL 59 H VAL 59 -6.392 -7.074 -1.507 397 HA VAL 59 HA VAL 59 -6.729 -8.879 0.729 398 HB VAL 59 HB VAL 59 -6.140 -5.914 0.761 399 HG11 VAL 59 1HG1 VAL 59 -5.951 -8.049 2.876 400 HG12 VAL 59 2HG1 VAL 59 -6.974 -6.614 2.881 401 HG13 VAL 59 3HG1 VAL 59 -5.225 -6.449 3.026 402 HG21 VAL 59 3HG2 VAL 59 -4.399 -7.061 -0.457 403 HG22 VAL 59 1HG2 VAL 59 -4.258 -8.270 0.819 404 HG23 VAL 59 2HG2 VAL 59 -3.792 -6.599 1.133 405 HA PRO 60 HA PRO 60 -11.058 -7.620 0.918 406 HB2 PRO 60 2HB PRO 60 -11.850 -9.501 2.688 407 HB3 PRO 60 1HB PRO 60 -11.571 -9.861 0.976 408 HG2 PRO 60 2HG PRO 60 -9.789 -10.348 3.332 409 HG3 PRO 60 1HG PRO 60 -10.132 -11.403 1.949 410 HD2 PRO 60 2HD PRO 60 -7.877 -9.883 2.152 411 HD3 PRO 60 1HD PRO 60 -8.609 -10.338 0.603 412 H TYR 61 H TYR 61 -9.058 -8.295 3.792 413 HA TYR 61 HA TYR 61 -10.497 -6.132 5.184 414 HB2 TYR 61 2HB TYR 61 -10.680 -8.622 6.015 415 HB3 TYR 61 1HB TYR 61 -9.079 -8.297 6.696 416 HD1 TYR 61 1HD TYR 61 -8.810 -6.618 8.474 417 HD2 TYR 61 2HD TYR 61 -12.654 -7.605 6.938 418 HE1 TYR 61 1HE TYR 61 -9.859 -5.543 10.420 419 HE2 TYR 61 2HE TYR 61 -13.712 -6.533 8.880 420 HH TYR 61 HH TYR 61 -12.335 -5.934 11.631 421 H ILE 62 H ILE 62 -9.312 -4.551 6.149 422 HA ILE 62 HA ILE 62 -6.420 -4.611 5.660 423 HB ILE 62 HB ILE 62 -8.135 -2.223 6.360 424 HG12 ILE 62 2HG1 ILE 62 -7.054 -3.034 3.651 425 HG13 ILE 62 1HG1 ILE 62 -8.721 -3.277 4.164 426 HG21 ILE 62 1HG2 ILE 62 -5.253 -2.579 5.655 427 HG22 ILE 62 2HG2 ILE 62 -5.981 -1.615 6.940 428 HG23 ILE 62 3HG2 ILE 62 -6.080 -1.072 5.266 429 HD11 ILE 62 3HD1 ILE 62 -9.246 -1.075 3.956 430 HD12 ILE 62 1HD1 ILE 62 -7.981 -1.189 2.734 431 HD13 ILE 62 2HD1 ILE 62 -7.609 -0.532 4.328 432 HA PRO 63 HA PRO 63 -6.146 -5.505 10.108 433 HB2 PRO 63 2HB PRO 63 -3.261 -5.406 9.410 434 HB3 PRO 63 1HB PRO 63 -4.179 -6.670 10.251 435 HG2 PRO 63 2HG PRO 63 -3.364 -7.008 7.732 436 HG3 PRO 63 1HG PRO 63 -4.946 -7.606 8.271 437 HD2 PRO 63 2HD PRO 63 -4.282 -5.171 6.662 438 HD3 PRO 63 1HD PRO 63 -5.632 -6.310 6.481 439 H GLU 64 H GLU 64 -5.438 -4.351 11.922 440 HA GLU 64 HA GLU 64 -4.815 -1.544 11.403 441 HB2 GLU 64 2HB GLU 64 -6.137 -3.041 13.585 442 HB3 GLU 64 1HB GLU 64 -5.204 -1.632 14.074 443 HG2 GLU 64 2HG GLU 64 -6.504 -0.213 12.626 444 HG3 GLU 64 1HG GLU 64 -7.368 -1.606 11.981 445 H GLY 65 H GLY 65 -3.432 -4.375 12.996 446 HA2 GLY 65 2HA GLY 65 -1.330 -2.922 14.301 447 HA3 GLY 65 1HA GLY 65 -1.428 -4.666 14.116 448 H GLN 66 H GLN 66 0.226 -5.489 13.020 449 HA GLN 66 HA GLN 66 1.651 -3.788 11.101 450 HB2 GLN 66 2HB GLN 66 2.409 -6.179 12.734 451 HB3 GLN 66 1HB GLN 66 3.293 -5.840 11.251 452 HG2 GLN 66 2HG GLN 66 3.815 -3.590 12.114 453 HG3 GLN 66 1HG GLN 66 2.998 -4.005 13.619 454 HE21 GLN 66 1HE2 GLN 66 5.359 -5.601 11.482 455 HE22 GLN 66 2HE2 GLN 66 6.475 -5.997 12.739 456 H TRP 67 H TRP 67 2.377 -4.686 9.069 457 HA TRP 67 HA TRP 67 0.583 -6.785 8.043 458 HB2 TRP 67 2HB TRP 67 0.222 -4.427 7.145 459 HB3 TRP 67 1HB TRP 67 1.792 -4.582 6.366 460 HD1 TRP 67 HD TRP 67 -0.996 -7.263 6.546 461 HE1 TRP 67 1HE TRP 67 -1.626 -7.923 4.145 462 HE3 TRP 67 3HE TRP 67 1.943 -3.947 3.990 463 HZ2 TRP 67 2HZ TRP 67 -0.974 -7.140 1.511 464 HZ3 TRP 67 3HZ TRP 67 1.879 -3.970 1.530 465 HH2 TRP 67 HH TRP 67 0.451 -5.535 0.317 466 H LEU 68 H LEU 68 1.707 -8.603 7.852 467 HA LEU 68 HA LEU 68 4.443 -8.476 6.750 468 HB2 LEU 68 2HB LEU 68 3.191 -10.450 8.659 469 HB3 LEU 68 1HB LEU 68 4.665 -10.802 7.784 470 HG LEU 68 HG LEU 68 4.889 -10.008 10.197 471 HD11 LEU 68 1HD1 LEU 68 6.769 -10.151 8.670 472 HD12 LEU 68 2HD1 LEU 68 6.909 -8.724 9.698 473 HD13 LEU 68 3HD1 LEU 68 6.384 -8.554 8.024 474 HD21 LEU 68 3HD2 LEU 68 4.698 -7.741 10.730 475 HD22 LEU 68 1HD2 LEU 68 3.229 -8.100 9.819 476 HD23 LEU 68 2HD2 LEU 68 4.568 -7.260 9.037 477 H CYS 69 H CYS 69 4.304 -8.926 4.624 478 HA CYS 69 HA CYS 69 2.246 -10.324 3.367 479 HB2 CYS 69 2HB CYS 69 3.667 -10.379 1.391 480 HB3 CYS 69 1HB CYS 69 3.797 -8.805 2.184 481 H ARG 70 H ARG 70 2.427 -12.378 2.180 482 HA ARG 70 HA ARG 70 2.751 -14.535 3.833 483 HB2 ARG 70 2HB ARG 70 1.915 -14.153 1.242 484 HB3 ARG 70 1HB ARG 70 3.309 -15.209 1.051 485 HG2 ARG 70 2HG ARG 70 2.196 -16.973 1.819 486 HG3 ARG 70 1HG ARG 70 1.569 -16.076 3.203 487 HD2 ARG 70 2HD ARG 70 -0.162 -15.095 1.764 488 HD3 ARG 70 1HD ARG 70 0.455 -16.027 0.400 489 HE ARG 70 HE ARG 70 -0.078 -17.925 2.251 490 HH11 ARG 70 1HH1 ARG 70 -1.980 -15.311 0.899 491 HH12 ARG 70 2HH1 ARG 70 -3.485 -16.145 1.085 492 HH21 ARG 70 1HH2 ARG 70 -2.068 -19.018 2.492 493 HH22 ARG 70 2HH2 ARG 70 -3.534 -18.249 1.991 494 H HIS 71 H HIS 71 5.318 -12.940 2.041 495 HA HIS 71 HA HIS 71 7.118 -15.160 2.129 496 HB2 HIS 71 2HB HIS 71 7.593 -12.213 1.646 497 HB3 HIS 71 1HB HIS 71 8.841 -13.448 1.516 498 HD1 HIS 71 1HD HIS 71 5.769 -14.826 0.234 499 HD2 HIS 71 2HD HIS 71 8.745 -12.333 -1.251 500 HE1 HIS 71 1HE HIS 71 5.519 -14.897 -2.264 501 HE2 HIS 71 2HE HIS 71 7.277 -13.319 -3.138 502 H CYS 72 H CYS 72 6.737 -12.195 4.040 503 HA CYS 72 HA CYS 72 8.880 -12.964 5.803 504 HB2 CYS 72 2HB CYS 72 8.304 -10.918 7.020 505 HB3 CYS 72 1HB CYS 72 8.589 -10.647 5.292 506 H LEU 73 H LEU 73 5.328 -12.704 6.065 507 HA LEU 73 HA LEU 73 5.148 -13.445 8.763 508 HB2 LEU 73 2HB LEU 73 2.853 -13.849 8.406 509 HB3 LEU 73 1HB LEU 73 3.288 -12.535 7.335 510 HG LEU 73 HG LEU 73 3.526 -14.389 5.530 511 HD11 LEU 73 1HD1 LEU 73 2.290 -15.841 7.786 512 HD12 LEU 73 2HD1 LEU 73 3.302 -16.434 6.469 513 HD13 LEU 73 3HD1 LEU 73 1.591 -16.114 6.191 514 HD21 LEU 73 3HD2 LEU 73 0.855 -14.363 5.450 515 HD22 LEU 73 1HD2 LEU 73 1.839 -12.961 5.030 516 HD23 LEU 73 2HD2 LEU 73 1.113 -13.082 6.631 517 H GLN 74 H GLN 74 5.841 -15.287 5.916 518 HA GLN 74 HA GLN 74 5.283 -17.848 7.146 519 HB2 GLN 74 2HB GLN 74 5.051 -17.555 4.713 520 HB3 GLN 74 1HB GLN 74 6.765 -17.183 4.594 521 HG2 GLN 74 2HG GLN 74 7.075 -19.343 4.191 522 HG3 GLN 74 1HG GLN 74 6.724 -19.614 5.896 523 HE21 GLN 74 1HE2 GLN 74 4.365 -19.815 6.418 524 HE22 GLN 74 2HE2 GLN 74 3.393 -20.727 5.319 525 H SER 75 H SER 75 8.096 -15.828 6.435 526 HA SER 75 HA SER 75 10.136 -17.600 7.175 527 HB2 SER 75 2HB SER 75 9.910 -14.598 7.120 528 HB3 SER 75 1HB SER 75 11.351 -15.365 7.790 529 HG SER 75 HG SER 75 11.428 -14.850 5.490 530 H ARG 76 H ARG 76 8.135 -15.418 9.115 531 HA ARG 76 HA ARG 76 9.528 -16.119 11.561 532 HB2 ARG 76 2HB ARG 76 8.502 -13.819 10.982 533 HB3 ARG 76 1HB ARG 76 6.968 -14.554 11.433 534 HG2 ARG 76 2HG ARG 76 8.424 -15.231 13.576 535 HG3 ARG 76 1HG ARG 76 9.254 -13.744 13.114 536 HD2 ARG 76 2HD ARG 76 7.270 -12.467 13.312 537 HD3 ARG 76 1HD ARG 76 6.265 -13.911 13.409 538 HE ARG 76 HE ARG 76 6.692 -14.007 15.649 539 HH11 ARG 76 1HH1 ARG 76 9.086 -11.921 14.170 540 HH12 ARG 76 2HH1 ARG 76 9.761 -11.419 15.682 541 HH21 ARG 76 1HH2 ARG 76 7.585 -13.338 17.640 542 HH22 ARG 76 2HH2 ARG 76 8.910 -12.223 17.652 543 H ALA 77 H ALA 77 6.906 -17.377 9.756 544 HA ALA 77 HA ALA 77 5.309 -18.371 11.881 545 HB1 ALA 77 1HB ALA 77 3.950 -19.056 10.248 546 HB2 ALA 77 2HB ALA 77 5.226 -19.989 9.467 547 HB3 ALA 77 3HB ALA 77 5.066 -18.266 9.134 548 H ARG 78 H ARG 78 8.295 -19.443 10.480 549 HA ARG 78 HA ARG 78 8.257 -22.164 10.906 550 HB2 ARG 78 2HB ARG 78 10.423 -20.110 10.927 551 HB3 ARG 78 1HB ARG 78 10.808 -21.729 11.496 552 HG2 ARG 78 2HG ARG 78 10.997 -22.459 9.416 553 HG3 ARG 78 1HG ARG 78 9.359 -21.916 9.040 554 HD2 ARG 78 2HD ARG 78 10.933 -20.868 7.533 555 HD3 ARG 78 1HD ARG 78 10.233 -19.655 8.603 556 HE ARG 78 HE ARG 78 12.310 -19.277 9.489 557 HH11 ARG 78 1HH1 ARG 78 12.396 -22.273 7.677 558 HH12 ARG 78 2HH1 ARG 78 14.115 -22.437 7.787 559 HH21 ARG 78 1HH2 ARG 78 14.583 -19.500 9.631 560 HH22 ARG 78 2HH2 ARG 78 15.357 -20.864 8.897 561 HA PRO 79 HA PRO 79 9.872 -21.648 15.459 562 HB2 PRO 79 2HB PRO 79 9.591 -19.141 16.540 563 HB3 PRO 79 1HB PRO 79 11.085 -19.752 15.823 564 HG2 PRO 79 2HG PRO 79 8.991 -17.985 14.625 565 HG3 PRO 79 1HG PRO 79 10.755 -17.874 14.502 566 HD2 PRO 79 2HD PRO 79 9.268 -18.883 12.508 567 HD3 PRO 79 1HD PRO 79 10.876 -19.532 12.890 568 H ALA 80 H ALA 80 7.127 -19.790 14.284 569 HA ALA 80 HA ALA 80 5.599 -20.072 16.707 570 HB1 ALA 80 1HB ALA 80 4.528 -19.309 13.998 571 HB2 ALA 80 2HB ALA 80 5.373 -18.172 15.050 572 HB3 ALA 80 3HB ALA 80 3.866 -18.916 15.585 Start of MODEL 15 1 H1 ALA 1 1HT ALA 1 -3.412 -2.089 8.946 2 H2 ALA 1 2HT ALA 1 -1.958 -2.094 9.859 3 H3 ALA 1 3HT ALA 1 -2.669 -3.576 9.368 4 HA ALA 1 HA ALA 1 -0.733 -2.938 8.071 5 HB1 ALA 1 2HB ALA 1 -1.595 -3.903 6.217 6 HB2 ALA 1 3HB ALA 1 -2.967 -2.799 6.143 7 HB3 ALA 1 1HB ALA 1 -2.987 -4.157 7.270 8 H ARG 2 H ARG 2 0.429 -1.284 7.318 9 HA ARG 2 HA ARG 2 -0.543 1.369 7.316 10 HB2 ARG 2 2HB ARG 2 1.994 0.040 6.500 11 HB3 ARG 2 1HB ARG 2 1.692 1.659 5.884 12 HG2 ARG 2 2HG ARG 2 1.555 2.557 8.093 13 HG3 ARG 2 1HG ARG 2 1.601 0.944 8.809 14 HD2 ARG 2 2HD ARG 2 3.804 2.402 7.369 15 HD3 ARG 2 1HD ARG 2 3.776 1.866 9.048 16 HE ARG 2 HE ARG 2 3.613 -0.468 7.893 17 HH11 ARG 2 1HH1 ARG 2 5.611 2.244 6.921 18 HH12 ARG 2 2HH1 ARG 2 6.783 1.249 6.128 19 HH21 ARG 2 1HH2 ARG 2 5.151 -1.763 6.838 20 HH22 ARG 2 2HH2 ARG 2 6.521 -1.030 6.078 21 H THR 3 H THR 3 -1.792 2.345 5.876 22 HA THR 3 HA THR 3 -1.611 1.534 3.051 23 HB THR 3 HB THR 3 -4.182 2.517 4.251 24 HG1 THR 3 1HG THR 3 -3.765 0.747 5.501 25 HG21 THR 3 3HG2 THR 3 -4.303 2.424 1.915 26 HG22 THR 3 1HG2 THR 3 -5.121 0.974 2.496 27 HG23 THR 3 2HG2 THR 3 -3.482 0.865 1.852 28 H LYS 4 H LYS 4 -1.488 3.135 1.565 29 HA LYS 4 HA LYS 4 -1.559 5.898 2.583 30 HB2 LYS 4 2HB LYS 4 0.562 4.715 1.440 31 HB3 LYS 4 1HB LYS 4 -0.240 5.294 -0.013 32 HG2 LYS 4 2HG LYS 4 0.278 7.130 2.295 33 HG3 LYS 4 1HG LYS 4 1.530 6.784 1.102 34 HD2 LYS 4 2HD LYS 4 0.224 7.688 -0.662 35 HD3 LYS 4 1HD LYS 4 -1.220 7.751 0.347 36 HE2 LYS 4 2HE LYS 4 -0.057 9.954 -0.055 37 HE3 LYS 4 1HE LYS 4 -0.368 9.541 1.629 38 HZ1 LYS 4 3HZ LYS 4 1.835 9.272 2.065 39 HZ2 LYS 4 1HZ LYS 4 1.967 10.411 0.823 40 HZ3 LYS 4 2HZ LYS 4 2.221 8.773 0.497 41 H GLN 5 H GLN 5 -3.039 7.255 1.805 42 HA GLN 5 HA GLN 5 -4.623 6.384 -0.516 43 HB2 GLN 5 2HB GLN 5 -5.816 6.645 1.668 44 HB3 GLN 5 1HB GLN 5 -5.411 8.355 1.636 45 HG2 GLN 5 2HG GLN 5 -7.337 8.669 0.585 46 HG3 GLN 5 1HG GLN 5 -6.590 7.921 -0.825 47 HE21 GLN 5 1HE2 GLN 5 -8.059 6.640 -1.708 48 HE22 GLN 5 2HE2 GLN 5 -9.023 5.479 -0.867 49 H THR 6 H THR 6 -4.441 7.486 -2.341 50 HA THR 6 HA THR 6 -3.543 10.290 -2.229 51 HB THR 6 HB THR 6 -2.210 9.956 -4.223 52 HG1 THR 6 1HG THR 6 -3.318 8.393 -5.322 53 HG21 THR 6 3HG2 THR 6 -0.778 7.880 -3.357 54 HG22 THR 6 1HG2 THR 6 -1.697 8.225 -1.893 55 HG23 THR 6 2HG2 THR 6 -0.699 9.479 -2.623 56 H ALA 7 H ALA 7 -4.758 11.711 -3.336 57 HA ALA 7 HA ALA 7 -6.925 10.623 -5.006 58 HB1 ALA 7 1HB ALA 7 -7.268 12.107 -2.843 59 HB2 ALA 7 2HB ALA 7 -8.324 12.260 -4.248 60 HB3 ALA 7 3HB ALA 7 -7.019 13.420 -3.996 61 H ARG 8 H ARG 8 -6.146 10.590 -7.041 62 HA ARG 8 HA ARG 8 -5.557 11.323 -9.099 63 HB2 ARG 8 2HB ARG 8 -6.409 13.874 -7.805 64 HB3 ARG 8 1HB ARG 8 -5.528 13.973 -9.321 65 HG2 ARG 8 2HG ARG 8 -7.249 12.377 -10.272 66 HG3 ARG 8 1HG ARG 8 -8.179 12.660 -8.797 67 HD2 ARG 8 2HD ARG 8 -8.228 15.052 -9.274 68 HD3 ARG 8 1HD ARG 8 -7.268 14.794 -10.729 69 HE ARG 8 HE ARG 8 -9.487 13.202 -11.034 70 HH11 ARG 8 1HH1 ARG 8 -8.912 16.624 -10.537 71 HH12 ARG 8 2HH1 ARG 8 -10.332 17.115 -11.397 72 HH21 ARG 8 1HH2 ARG 8 -11.362 13.863 -12.174 73 HH22 ARG 8 2HH2 ARG 8 -11.722 15.550 -12.323 74 H LYS 9 H LYS 9 -4.184 14.051 -7.267 75 HA LYS 9 HA LYS 9 -1.519 12.990 -7.335 76 HB2 LYS 9 2HB LYS 9 -2.280 14.160 -9.677 77 HB3 LYS 9 1HB LYS 9 -1.610 15.542 -8.819 78 HG2 LYS 9 2HG LYS 9 0.317 14.848 -9.732 79 HG3 LYS 9 1HG LYS 9 0.326 13.714 -8.380 80 HD2 LYS 9 2HD LYS 9 -1.216 12.413 -10.241 81 HD3 LYS 9 1HD LYS 9 -0.013 13.227 -11.243 82 HE2 LYS 9 2HE LYS 9 1.306 11.479 -10.785 83 HE3 LYS 9 1HE LYS 9 1.505 12.214 -9.197 84 HZ1 LYS 9 3HZ LYS 9 0.782 10.210 -8.515 85 HZ2 LYS 9 1HZ LYS 9 -0.002 9.853 -9.972 86 HZ3 LYS 9 2HZ LYS 9 -0.753 10.850 -8.827 87 H SER 10 H SER 10 0.088 14.770 -6.590 88 HA SER 10 HA SER 10 -1.032 15.958 -4.228 89 HB2 SER 10 2HB SER 10 1.696 15.597 -5.353 90 HB3 SER 10 1HB SER 10 1.470 16.941 -4.234 91 HG SER 10 HG SER 10 0.815 14.222 -3.728 92 H THR 11 H THR 11 0.454 17.234 -7.207 93 HA THR 11 HA THR 11 -1.066 19.701 -6.830 94 HB THR 11 HB THR 11 1.103 20.171 -5.828 95 HG1 THR 11 1HG THR 11 0.843 21.424 -8.359 96 HG21 THR 11 3HG2 THR 11 2.468 19.854 -8.464 97 HG22 THR 11 1HG2 THR 11 2.356 18.501 -7.339 98 HG23 THR 11 2HG2 THR 11 3.160 19.989 -6.848 99 H GLY 12 H GLY 12 1.068 17.844 -9.000 100 HA2 GLY 12 2HA GLY 12 0.398 17.238 -11.206 101 HA3 GLY 12 1HA GLY 12 -0.678 18.625 -11.227 102 H GLY 13 H GLY 13 2.727 18.624 -10.268 103 HA2 GLY 13 2HA GLY 13 3.670 19.648 -12.774 104 HA3 GLY 13 1HA GLY 13 3.473 20.917 -11.572 105 H SER 14 H SER 14 4.639 20.680 -9.538 106 HA SER 14 HA SER 14 7.132 19.141 -9.863 107 HB2 SER 14 2HB SER 14 8.100 20.985 -8.329 108 HB3 SER 14 1HB SER 14 7.801 21.396 -10.017 109 HG SER 14 HG SER 14 6.161 22.014 -7.781 110 H SER 15 H SER 15 7.103 17.454 -8.523 111 HA SER 15 HA SER 15 5.496 17.415 -6.149 112 HB2 SER 15 2HB SER 15 6.990 15.184 -5.888 113 HB3 SER 15 1HB SER 15 5.572 15.274 -6.933 114 HG SER 15 HG SER 15 7.436 14.407 -7.991 115 H GLY 16 H GLY 16 6.275 19.023 -4.794 116 HA2 GLY 16 2HA GLY 16 9.053 18.778 -3.866 117 HA3 GLY 16 1HA GLY 16 8.007 20.167 -3.615 118 H SER 17 H SER 17 5.877 19.452 -2.356 119 HA SER 17 HA SER 17 6.471 17.495 -0.280 120 HB2 SER 17 2HB SER 17 5.646 20.255 0.595 121 HB3 SER 17 1HB SER 17 6.360 18.960 1.552 122 HG SER 17 HG SER 17 8.309 19.293 0.411 123 H SER 18 H SER 18 4.149 20.171 -0.781 124 HA SER 18 HA SER 18 1.889 20.229 -0.957 125 HB2 SER 18 2HB SER 18 2.634 17.869 -2.320 126 HB3 SER 18 1HB SER 18 1.223 17.454 -1.346 127 HG SER 18 HG SER 18 0.048 18.559 -2.686 128 H GLN 19 H GLN 19 2.243 16.941 0.422 129 HA GLN 19 HA GLN 19 0.950 17.934 2.876 130 HB2 GLN 19 2HB GLN 19 0.269 15.582 1.169 131 HB3 GLN 19 1HB GLN 19 0.064 15.433 2.908 132 HG2 GLN 19 2HG GLN 19 -1.975 16.252 2.513 133 HG3 GLN 19 1HG GLN 19 -1.152 17.809 2.452 134 HE21 GLN 19 1HE2 GLN 19 -1.349 18.981 0.661 135 HE22 GLN 19 2HE2 GLN 19 -1.970 18.411 -0.846 136 H SER 20 H SER 20 1.930 17.410 4.736 137 HA SER 20 HA SER 20 3.346 16.475 6.247 138 HB2 SER 20 2HB SER 20 3.063 14.292 4.262 139 HB3 SER 20 1HB SER 20 4.482 14.206 5.300 140 HG SER 20 HG SER 20 2.772 13.152 6.297 141 H LEU 21 H LEU 21 5.351 17.117 6.752 142 HA LEU 21 HA LEU 21 7.025 18.339 4.836 143 HB2 LEU 21 2HB LEU 21 7.702 17.440 7.642 144 HB3 LEU 21 1HB LEU 21 8.657 18.542 6.668 145 HG LEU 21 HG LEU 21 5.808 19.149 7.431 146 HD11 LEU 21 1HD1 LEU 21 8.229 20.155 8.896 147 HD12 LEU 21 2HD1 LEU 21 7.317 18.740 9.424 148 HD13 LEU 21 3HD1 LEU 21 6.529 20.315 9.340 149 HD21 LEU 21 3HD2 LEU 21 8.029 20.579 6.091 150 HD22 LEU 21 1HD2 LEU 21 7.018 21.514 7.193 151 HD23 LEU 21 2HD2 LEU 21 6.290 20.675 5.824 152 H ILE 22 H ILE 22 7.305 15.242 6.571 153 HA ILE 22 HA ILE 22 9.260 14.374 4.539 154 HB ILE 22 HB ILE 22 9.180 13.355 7.385 155 HG12 ILE 22 2HG1 ILE 22 9.798 15.718 7.437 156 HG13 ILE 22 1HG1 ILE 22 11.216 14.714 7.771 157 HG21 ILE 22 1HG2 ILE 22 11.173 13.037 5.145 158 HG22 ILE 22 2HG2 ILE 22 10.156 11.784 5.855 159 HG23 ILE 22 3HG2 ILE 22 11.446 12.516 6.808 160 HD11 ILE 22 3HD1 ILE 22 12.185 16.094 6.287 161 HD12 ILE 22 1HD1 ILE 22 10.655 16.523 5.522 162 HD13 ILE 22 2HD1 ILE 22 11.453 15.007 5.106 163 H ASP 23 H ASP 23 8.082 13.147 3.188 164 HA ASP 23 HA ASP 23 6.797 10.757 4.238 165 HB2 ASP 23 2HB ASP 23 5.076 12.625 4.168 166 HB3 ASP 23 1HB ASP 23 5.249 12.606 2.419 167 H GLU 24 H GLU 24 6.493 9.105 2.661 168 HA GLU 24 HA GLU 24 7.442 9.611 -0.053 169 HB2 GLU 24 2HB GLU 24 8.916 8.063 1.991 170 HB3 GLU 24 1HB GLU 24 8.773 7.294 0.417 171 HG2 GLU 24 2HG GLU 24 9.797 10.095 0.791 172 HG3 GLU 24 1HG GLU 24 10.839 8.672 0.783 173 H ASP 25 H ASP 25 5.809 8.880 -1.255 174 HA ASP 25 HA ASP 25 3.972 6.884 -0.432 175 HB2 ASP 25 2HB ASP 25 4.514 8.147 -3.122 176 HB3 ASP 25 1HB ASP 25 3.213 6.995 -2.848 177 H ALA 26 H ALA 26 3.466 4.976 -1.976 178 HA ALA 26 HA ALA 26 5.968 3.485 -2.443 179 HB1 ALA 26 1HB ALA 26 5.023 2.112 -0.937 180 HB2 ALA 26 2HB ALA 26 4.055 1.561 -2.303 181 HB3 ALA 26 3HB ALA 26 3.410 2.771 -1.195 182 H VAL 27 H VAL 27 5.412 1.494 -4.004 183 HA VAL 27 HA VAL 27 3.945 2.535 -6.336 184 HB VAL 27 HB VAL 27 5.706 1.385 -7.769 185 HG11 VAL 27 1HG1 VAL 27 5.779 3.673 -7.941 186 HG12 VAL 27 2HG1 VAL 27 7.384 3.344 -7.288 187 HG13 VAL 27 3HG1 VAL 27 6.096 3.904 -6.222 188 HG21 VAL 27 3HG2 VAL 27 6.660 0.440 -5.389 189 HG22 VAL 27 1HG2 VAL 27 7.750 1.789 -5.705 190 HG23 VAL 27 2HG2 VAL 27 7.576 0.498 -6.894 191 H CYS 28 H CYS 28 2.284 1.218 -6.719 192 HA CYS 28 HA CYS 28 2.021 -1.378 -5.712 193 HB2 CYS 28 2HB CYS 28 0.062 -0.116 -6.208 194 HB3 CYS 28 1HB CYS 28 0.539 0.068 -7.902 195 H SER 29 H SER 29 1.954 -3.407 -6.749 196 HA SER 29 HA SER 29 3.806 -3.621 -9.018 197 HB2 SER 29 2HB SER 29 2.925 -5.780 -7.090 198 HB3 SER 29 1HB SER 29 4.200 -5.908 -8.303 199 HG SER 29 HG SER 29 5.380 -4.361 -7.155 200 H ILE 30 H ILE 30 0.524 -4.460 -8.004 201 HA ILE 30 HA ILE 30 -0.016 -6.266 -10.129 202 HB ILE 30 HB ILE 30 -1.768 -4.706 -8.250 203 HG12 ILE 30 2HG1 ILE 30 -2.392 -7.422 -8.173 204 HG13 ILE 30 1HG1 ILE 30 -0.638 -7.388 -8.408 205 HG21 ILE 30 1HG2 ILE 30 -3.007 -4.700 -10.316 206 HG22 ILE 30 2HG2 ILE 30 -3.728 -5.879 -9.219 207 HG23 ILE 30 3HG2 ILE 30 -2.703 -6.424 -10.548 208 HD11 ILE 30 3HD1 ILE 30 -0.530 -7.195 -6.196 209 HD12 ILE 30 1HD1 ILE 30 -2.229 -6.745 -6.059 210 HD13 ILE 30 2HD1 ILE 30 -1.020 -5.519 -6.441 211 H CYS 31 H CYS 31 -0.166 -2.774 -9.824 212 HA CYS 31 HA CYS 31 -0.855 -2.609 -12.669 213 HB2 CYS 31 2HB CYS 31 -2.531 -1.006 -12.327 214 HB3 CYS 31 1HB CYS 31 -2.802 -2.182 -11.035 215 H MET 32 H MET 32 -0.034 -0.814 -13.786 216 HA MET 32 HA MET 32 2.189 0.555 -12.420 217 HB2 MET 32 2HB MET 32 1.740 -0.249 -15.286 218 HB3 MET 32 1HB MET 32 2.891 1.017 -14.880 219 HG2 MET 32 2HG MET 32 4.413 -0.547 -14.563 220 HG3 MET 32 1HG MET 32 3.492 -1.103 -13.168 221 HE1 MET 32 3HE MET 32 4.158 -2.017 -17.170 222 HE2 MET 32 1HE MET 32 2.789 -0.948 -16.859 223 HE3 MET 32 2HE MET 32 2.509 -2.613 -17.368 224 H ASP 33 H ASP 33 -0.156 1.652 -11.807 225 HA ASP 33 HA ASP 33 -1.351 3.579 -11.779 226 HB2 ASP 33 2HB ASP 33 1.291 4.322 -12.485 227 HB3 ASP 33 1HB ASP 33 0.205 5.264 -13.514 228 H GLY 34 H GLY 34 -1.895 1.628 -13.864 229 HA2 GLY 34 2HA GLY 34 -2.864 3.405 -16.019 230 HA3 GLY 34 1HA GLY 34 -2.520 1.684 -16.222 231 H GLU 35 H GLU 35 -4.251 3.090 -13.490 232 HA GLU 35 HA GLU 35 -6.561 1.428 -14.152 233 HB2 GLU 35 2HB GLU 35 -7.338 2.136 -11.839 234 HB3 GLU 35 1HB GLU 35 -5.886 1.146 -11.902 235 HG2 GLU 35 2HG GLU 35 -4.514 2.864 -11.256 236 HG3 GLU 35 1HG GLU 35 -5.603 4.109 -11.859 237 H SER 36 H SER 36 -5.595 4.759 -14.153 238 HA SER 36 HA SER 36 -6.638 6.662 -14.819 239 HB2 SER 36 2HB SER 36 -7.666 4.739 -16.468 240 HB3 SER 36 1HB SER 36 -9.137 5.383 -15.733 241 HG SER 36 HG SER 36 -8.474 7.463 -16.405 242 H GLN 37 H GLN 37 -7.033 5.619 -12.141 243 HA GLN 37 HA GLN 37 -9.721 6.638 -11.501 244 HB2 GLN 37 2HB GLN 37 -8.706 4.264 -10.774 245 HB3 GLN 37 1HB GLN 37 -8.080 5.244 -9.442 246 HG2 GLN 37 2HG GLN 37 -10.198 5.748 -8.654 247 HG3 GLN 37 1HG GLN 37 -10.975 5.359 -10.189 248 HE21 GLN 37 1HE2 GLN 37 -9.343 3.981 -7.391 249 HE22 GLN 37 2HE2 GLN 37 -10.078 2.421 -7.502 250 H ASN 38 H ASN 38 -9.780 7.706 -9.238 251 HA ASN 38 HA ASN 38 -7.550 9.619 -9.110 252 HB2 ASN 38 2HB ASN 38 -9.214 11.075 -7.855 253 HB3 ASN 38 1HB ASN 38 -9.534 10.827 -9.564 254 HD21 ASN 38 1HD2 ASN 38 -10.671 10.407 -6.364 255 HD22 ASN 38 2HD2 ASN 38 -12.184 9.674 -6.758 256 H SER 39 H SER 39 -9.821 7.846 -6.990 257 HA SER 39 HA SER 39 -7.993 8.249 -4.740 258 HB2 SER 39 2HB SER 39 -10.606 8.538 -4.687 259 HB3 SER 39 1HB SER 39 -10.595 6.781 -4.491 260 HG SER 39 HG SER 39 -10.515 7.657 -2.459 261 H ASN 40 H ASN 40 -6.640 6.725 -4.066 262 HA ASN 40 HA ASN 40 -7.240 3.905 -4.542 263 HB2 ASN 40 2HB ASN 40 -4.914 3.510 -5.390 264 HB3 ASN 40 1HB ASN 40 -5.931 4.433 -6.490 265 HD21 ASN 40 1HD2 ASN 40 -3.192 4.518 -4.361 266 HD22 ASN 40 2HD2 ASN 40 -2.602 6.065 -4.854 267 H VAL 41 H VAL 41 -6.026 2.447 -3.206 268 HA VAL 41 HA VAL 41 -4.637 3.738 -0.950 269 HB VAL 41 HB VAL 41 -5.599 1.931 0.528 270 HG11 VAL 41 1HG1 VAL 41 -8.036 3.127 0.207 271 HG12 VAL 41 2HG1 VAL 41 -6.942 4.290 -0.542 272 HG13 VAL 41 3HG1 VAL 41 -6.684 3.786 1.128 273 HG21 VAL 41 3HG2 VAL 41 -6.398 0.285 -0.918 274 HG22 VAL 41 1HG2 VAL 41 -7.242 1.452 -1.937 275 HG23 VAL 41 2HG2 VAL 41 -7.864 1.072 -0.331 276 H ILE 42 H ILE 42 -2.562 3.180 -1.274 277 HA ILE 42 HA ILE 42 -1.873 0.520 -2.226 278 HB ILE 42 HB ILE 42 -0.687 2.616 -3.002 279 HG12 ILE 42 2HG1 ILE 42 1.645 1.242 -2.183 280 HG13 ILE 42 1HG1 ILE 42 0.376 0.020 -2.347 281 HG21 ILE 42 1HG2 ILE 42 1.119 2.527 -0.678 282 HG22 ILE 42 2HG2 ILE 42 -0.462 3.254 -0.399 283 HG23 ILE 42 3HG2 ILE 42 0.591 3.893 -1.661 284 HD11 ILE 42 3HD1 ILE 42 1.025 0.007 -4.487 285 HD12 ILE 42 1HD1 ILE 42 1.751 1.611 -4.389 286 HD13 ILE 42 2HD1 ILE 42 0.010 1.443 -4.616 287 H LEU 43 H LEU 43 -0.713 -1.024 -1.062 288 HA LEU 43 HA LEU 43 -0.591 -0.571 1.849 289 HB2 LEU 43 2HB LEU 43 -1.182 -3.123 0.351 290 HB3 LEU 43 1HB LEU 43 -0.961 -3.015 2.086 291 HG LEU 43 HG LEU 43 -3.123 -1.529 0.607 292 HD11 LEU 43 1HD1 LEU 43 -4.431 -3.449 1.968 293 HD12 LEU 43 2HD1 LEU 43 -2.973 -4.325 1.501 294 HD13 LEU 43 3HD1 LEU 43 -3.985 -3.575 0.265 295 HD21 LEU 43 3HD2 LEU 43 -2.365 -0.701 2.848 296 HD22 LEU 43 1HD2 LEU 43 -2.906 -2.238 3.521 297 HD23 LEU 43 2HD2 LEU 43 -4.065 -1.154 2.752 298 H PHE 44 H PHE 44 1.288 -0.909 2.841 299 HA PHE 44 HA PHE 44 3.481 -2.112 1.279 300 HB2 PHE 44 2HB PHE 44 3.352 0.415 2.377 301 HB3 PHE 44 1HB PHE 44 4.246 -0.486 3.596 302 HD1 PHE 44 1HD PHE 44 4.175 -0.159 -0.121 303 HD2 PHE 44 2HD PHE 44 6.526 -0.447 3.417 304 HE1 PHE 44 1HE PHE 44 6.227 0.079 -1.464 305 HE2 PHE 44 2HE PHE 44 8.577 -0.211 2.079 306 HZ PHE 44 HZ PHE 44 8.429 0.053 -0.364 307 H CYS 45 H CYS 45 4.620 -3.805 2.147 308 HA CYS 45 HA CYS 45 3.473 -5.192 4.341 309 HB2 CYS 45 2HB CYS 45 4.841 -6.172 2.400 310 HB3 CYS 45 1HB CYS 45 6.268 -5.692 3.335 311 H ASP 46 H ASP 46 4.378 -5.657 6.415 312 HA ASP 46 HA ASP 46 5.732 -3.359 7.539 313 HB2 ASP 46 2HB ASP 46 4.135 -5.609 8.615 314 HB3 ASP 46 1HB ASP 46 5.375 -4.938 9.685 315 H MET 47 H MET 47 6.707 -6.381 6.323 316 HA MET 47 HA MET 47 9.311 -6.033 7.644 317 HB2 MET 47 2HB MET 47 7.796 -8.053 8.432 318 HB3 MET 47 1HB MET 47 8.365 -8.787 6.932 319 HG2 MET 47 2HG MET 47 10.684 -8.451 7.666 320 HG3 MET 47 1HG MET 47 10.094 -7.767 9.178 321 HE1 MET 47 3HE MET 47 10.552 -11.487 7.301 322 HE2 MET 47 1HE MET 47 11.522 -11.723 8.755 323 HE3 MET 47 2HE MET 47 11.755 -10.283 7.763 324 H CYS 48 H CYS 48 7.828 -5.532 4.946 325 HA CYS 48 HA CYS 48 10.082 -6.223 3.263 326 HB2 CYS 48 2HB CYS 48 7.260 -7.002 2.493 327 HB3 CYS 48 1HB CYS 48 8.748 -7.351 1.622 328 H ASN 49 H ASN 49 9.220 -5.507 0.850 329 HA ASN 49 HA ASN 49 8.272 -2.741 1.174 330 HB2 ASN 49 2HB ASN 49 10.371 -3.973 -0.536 331 HB3 ASN 49 1HB ASN 49 9.422 -2.665 -1.254 332 HD21 ASN 49 1HD2 ASN 49 11.242 -3.477 1.683 333 HD22 ASN 49 2HD2 ASN 49 11.876 -1.889 1.930 334 H LEU 50 H LEU 50 7.062 -5.636 0.340 335 HA LEU 50 HA LEU 50 5.960 -5.440 -2.181 336 HB2 LEU 50 2HB LEU 50 5.801 -7.462 -0.850 337 HB3 LEU 50 1HB LEU 50 4.756 -6.648 0.314 338 HG LEU 50 HG LEU 50 3.302 -6.306 -1.942 339 HD11 LEU 50 1HD1 LEU 50 4.933 -7.595 -3.279 340 HD12 LEU 50 2HD1 LEU 50 3.321 -8.308 -3.267 341 HD13 LEU 50 3HD1 LEU 50 4.599 -9.005 -2.272 342 HD21 LEU 50 3HD2 LEU 50 2.896 -7.470 0.403 343 HD22 LEU 50 1HD2 LEU 50 3.003 -8.928 -0.586 344 HD23 LEU 50 2HD2 LEU 50 1.796 -7.697 -0.957 345 H ALA 51 H ALA 51 5.133 -3.560 -2.878 346 HA ALA 51 HA ALA 51 3.054 -2.266 -1.262 347 HB1 ALA 51 1HB ALA 51 5.243 -1.160 -2.471 348 HB2 ALA 51 2HB ALA 51 3.797 -0.279 -1.981 349 HB3 ALA 51 3HB ALA 51 3.966 -0.836 -3.643 350 H VAL 52 H VAL 52 1.055 -2.944 -1.798 351 HA VAL 52 HA VAL 52 0.268 -2.876 -4.613 352 HB VAL 52 HB VAL 52 -0.997 -5.069 -4.287 353 HG11 VAL 52 1HG1 VAL 52 2.016 -5.113 -4.405 354 HG12 VAL 52 2HG1 VAL 52 0.910 -4.905 -5.763 355 HG13 VAL 52 3HG1 VAL 52 0.959 -6.437 -4.892 356 HG21 VAL 52 3HG2 VAL 52 0.210 -4.877 -1.716 357 HG22 VAL 52 1HG2 VAL 52 0.862 -6.298 -2.534 358 HG23 VAL 52 2HG2 VAL 52 -0.881 -6.117 -2.332 359 H HIS 53 H HIS 53 -1.773 -2.078 -4.898 360 HA HIS 53 HA HIS 53 -3.169 -0.954 -2.717 361 HB2 HIS 53 2HB HIS 53 -4.315 -1.624 -5.441 362 HB3 HIS 53 1HB HIS 53 -4.983 -0.487 -4.285 363 HD2 HIS 53 2HD HIS 53 -3.319 1.860 -3.901 364 HE1 HIS 53 1HE HIS 53 -1.595 1.399 -7.739 365 HE2 HIS 53 2HE HIS 53 -2.088 3.030 -5.862 366 H GLN 54 H GLN 54 -5.014 -1.619 -1.586 367 HA GLN 54 HA GLN 54 -5.327 -4.401 -1.183 368 HB2 GLN 54 2HB GLN 54 -7.152 -3.844 0.301 369 HB3 GLN 54 1HB GLN 54 -5.831 -2.715 0.550 370 HG2 GLN 54 2HG GLN 54 -7.357 -1.113 0.402 371 HG3 GLN 54 1HG GLN 54 -7.385 -1.446 -1.338 372 HE21 GLN 54 1HE2 GLN 54 -8.710 -2.997 1.585 373 HE22 GLN 54 2HE2 GLN 54 -10.321 -3.139 0.979 374 H GLU 55 H GLU 55 -6.655 -2.295 -3.526 375 HA GLU 55 HA GLU 55 -8.942 -4.005 -4.112 376 HB2 GLU 55 2HB GLU 55 -8.649 -1.331 -4.320 377 HB3 GLU 55 1HB GLU 55 -8.171 -1.801 -5.945 378 HG2 GLU 55 2HG GLU 55 -10.388 -3.207 -5.837 379 HG3 GLU 55 1HG GLU 55 -10.811 -2.026 -4.598 380 H CYS 56 H CYS 56 -5.723 -3.336 -5.124 381 HA CYS 56 HA CYS 56 -5.844 -4.589 -7.684 382 HB2 CYS 56 2HB CYS 56 -3.977 -3.055 -6.120 383 HB3 CYS 56 1HB CYS 56 -3.195 -4.485 -6.733 384 H TYR 57 H TYR 57 -4.795 -5.479 -4.428 385 HA TYR 57 HA TYR 57 -3.913 -8.088 -5.268 386 HB2 TYR 57 2HB TYR 57 -3.035 -6.595 -3.292 387 HB3 TYR 57 1HB TYR 57 -4.337 -7.368 -2.396 388 HD1 TYR 57 1HD TYR 57 -4.357 -9.910 -2.255 389 HD2 TYR 57 2HD TYR 57 -0.998 -7.704 -3.653 390 HE1 TYR 57 1HE TYR 57 -2.912 -11.853 -1.833 391 HE2 TYR 57 2HE TYR 57 0.455 -9.641 -3.235 392 HH TYR 57 HH TYR 57 0.339 -11.713 -1.619 393 H GLY 58 H GLY 58 -6.783 -6.661 -3.872 394 HA2 GLY 58 2HA GLY 58 -8.930 -7.623 -3.978 395 HA3 GLY 58 1HA GLY 58 -8.182 -9.208 -4.206 396 H VAL 59 H VAL 59 -7.458 -6.830 -1.684 397 HA VAL 59 HA VAL 59 -7.662 -8.810 0.367 398 HB VAL 59 HB VAL 59 -7.470 -5.814 0.724 399 HG11 VAL 59 1HG1 VAL 59 -6.344 -6.487 2.861 400 HG12 VAL 59 2HG1 VAL 59 -6.862 -8.142 2.537 401 HG13 VAL 59 3HG1 VAL 59 -8.063 -6.872 2.773 402 HG21 VAL 59 3HG2 VAL 59 -5.014 -6.235 0.947 403 HG22 VAL 59 1HG2 VAL 59 -5.649 -6.465 -0.682 404 HG23 VAL 59 2HG2 VAL 59 -5.295 -7.865 0.331 405 HA PRO 60 HA PRO 60 -12.054 -8.429 1.015 406 HB2 PRO 60 2HB PRO 60 -12.152 -9.708 3.438 407 HB3 PRO 60 1HB PRO 60 -12.065 -10.542 1.878 408 HG2 PRO 60 2HG PRO 60 -9.884 -9.944 3.836 409 HG3 PRO 60 1HG PRO 60 -10.169 -11.414 2.889 410 HD2 PRO 60 2HD PRO 60 -8.310 -9.587 2.188 411 HD3 PRO 60 1HD PRO 60 -9.214 -10.526 0.984 412 H TYR 61 H TYR 61 -9.942 -7.841 3.846 413 HA TYR 61 HA TYR 61 -11.258 -5.292 4.292 414 HB2 TYR 61 2HB TYR 61 -12.553 -7.018 5.593 415 HB3 TYR 61 1HB TYR 61 -11.080 -7.327 6.523 416 HD1 TYR 61 2HD TYR 61 -13.285 -4.484 5.512 417 HD2 TYR 61 1HD TYR 61 -10.778 -6.175 8.502 418 HE1 TYR 61 2HE TYR 61 -13.876 -2.646 7.037 419 HE2 TYR 61 1HE TYR 61 -11.360 -4.342 10.036 420 HH TYR 61 HH TYR 61 -12.187 -1.877 9.733 421 H ILE 62 H ILE 62 -9.990 -3.817 5.448 422 HA ILE 62 HA ILE 62 -7.165 -4.470 5.516 423 HB ILE 62 HB ILE 62 -8.465 -1.836 6.227 424 HG12 ILE 62 2HG1 ILE 62 -7.229 -2.557 3.566 425 HG13 ILE 62 1HG1 ILE 62 -8.952 -2.732 3.877 426 HG21 ILE 62 1HG2 ILE 62 -5.644 -2.683 5.640 427 HG22 ILE 62 2HG2 ILE 62 -6.269 -1.825 7.047 428 HG23 ILE 62 3HG2 ILE 62 -6.163 -1.005 5.489 429 HD11 ILE 62 3HD1 ILE 62 -9.297 -0.459 3.978 430 HD12 ILE 62 1HD1 ILE 62 -8.053 -0.591 2.736 431 HD13 ILE 62 2HD1 ILE 62 -7.613 -0.114 4.376 432 HA PRO 63 HA PRO 63 -7.541 -5.430 9.907 433 HB2 PRO 63 2HB PRO 63 -5.000 -6.308 10.231 434 HB3 PRO 63 1HB PRO 63 -6.260 -7.291 9.462 435 HG2 PRO 63 2HG PRO 63 -4.107 -5.635 8.193 436 HG3 PRO 63 1HG PRO 63 -4.651 -7.271 7.777 437 HD2 PRO 63 2HD PRO 63 -5.441 -5.077 6.400 438 HD3 PRO 63 1HD PRO 63 -6.482 -6.500 6.608 439 H GLU 64 H GLU 64 -6.535 -4.704 11.889 440 HA GLU 64 HA GLU 64 -5.212 -2.096 11.573 441 HB2 GLU 64 2HB GLU 64 -7.292 -3.123 13.364 442 HB3 GLU 64 1HB GLU 64 -6.029 -2.230 14.202 443 HG2 GLU 64 2HG GLU 64 -6.720 -0.268 13.404 444 HG3 GLU 64 1HG GLU 64 -6.977 -0.909 11.782 445 H GLY 65 H GLY 65 -3.785 -4.667 11.509 446 HA2 GLY 65 2HA GLY 65 -2.018 -4.203 13.830 447 HA3 GLY 65 1HA GLY 65 -2.442 -5.832 13.323 448 H GLN 66 H GLN 66 -0.532 -6.641 12.636 449 HA GLN 66 HA GLN 66 1.180 -5.033 10.907 450 HB2 GLN 66 2HB GLN 66 1.581 -7.210 12.752 451 HB3 GLN 66 1HB GLN 66 2.255 -7.626 11.183 452 HG2 GLN 66 2HG GLN 66 3.776 -5.874 11.229 453 HG3 GLN 66 1HG GLN 66 2.867 -4.989 12.454 454 HE21 GLN 66 1HE2 GLN 66 4.295 -8.237 12.130 455 HE22 GLN 66 2HE2 GLN 66 5.085 -8.223 13.668 456 H TRP 67 H TRP 67 1.858 -5.695 8.837 457 HA TRP 67 HA TRP 67 0.081 -7.659 7.548 458 HB2 TRP 67 2HB TRP 67 -0.132 -5.158 6.905 459 HB3 TRP 67 1HB TRP 67 1.395 -5.394 6.061 460 HD1 TRP 67 HD TRP 67 -1.552 -7.895 6.151 461 HE1 TRP 67 1HE TRP 67 -2.338 -8.298 3.738 462 HE3 TRP 67 3HE TRP 67 1.442 -4.519 3.740 463 HZ2 TRP 67 2HZ TRP 67 -1.772 -7.318 1.152 464 HZ3 TRP 67 3HZ TRP 67 1.254 -4.316 1.295 465 HH2 TRP 67 HH TRP 67 -0.319 -5.687 0.030 466 H LEU 68 H LEU 68 1.161 -9.467 7.150 467 HA LEU 68 HA LEU 68 3.946 -9.274 6.186 468 HB2 LEU 68 2HB LEU 68 2.613 -11.409 7.850 469 HB3 LEU 68 1HB LEU 68 4.110 -11.694 6.987 470 HG LEU 68 HG LEU 68 4.277 -11.146 9.470 471 HD11 LEU 68 1HD1 LEU 68 5.843 -9.462 7.524 472 HD12 LEU 68 2HD1 LEU 68 6.185 -11.142 7.946 473 HD13 LEU 68 3HD1 LEU 68 6.325 -9.878 9.168 474 HD21 LEU 68 3HD2 LEU 68 4.019 -8.292 8.592 475 HD22 LEU 68 1HD2 LEU 68 4.075 -8.949 10.225 476 HD23 LEU 68 2HD2 LEU 68 2.641 -9.188 9.228 477 H CYS 69 H CYS 69 3.817 -9.460 4.016 478 HA CYS 69 HA CYS 69 1.814 -10.751 2.578 479 HB2 CYS 69 2HB CYS 69 3.285 -10.584 0.637 480 HB3 CYS 69 1HB CYS 69 3.348 -9.094 1.586 481 H ARG 70 H ARG 70 2.083 -12.660 1.159 482 HA ARG 70 HA ARG 70 2.427 -14.980 2.594 483 HB2 ARG 70 2HB ARG 70 1.388 -14.463 0.219 484 HB3 ARG 70 1HB ARG 70 2.943 -15.070 -0.334 485 HG2 ARG 70 2HG ARG 70 1.577 -16.945 -0.353 486 HG3 ARG 70 1HG ARG 70 2.464 -17.097 1.165 487 HD2 ARG 70 2HD ARG 70 0.184 -17.604 1.629 488 HD3 ARG 70 1HD ARG 70 0.514 -16.011 2.308 489 HE ARG 70 HE ARG 70 -1.043 -15.137 0.891 490 HH11 ARG 70 1HH1 ARG 70 -0.089 -18.272 -0.344 491 HH12 ARG 70 2HH1 ARG 70 -1.281 -18.279 -1.599 492 HH21 ARG 70 1HH2 ARG 70 -2.618 -15.152 -0.768 493 HH22 ARG 70 2HH2 ARG 70 -2.716 -16.508 -1.841 494 H HIS 71 H HIS 71 4.956 -13.108 1.065 495 HA HIS 71 HA HIS 71 6.816 -15.270 0.861 496 HB2 HIS 71 2HB HIS 71 6.812 -12.384 0.333 497 HB3 HIS 71 1HB HIS 71 8.352 -12.991 0.933 498 HD1 HIS 71 1HD HIS 71 9.841 -13.384 -0.994 499 HD2 HIS 71 2HD HIS 71 5.922 -14.487 -1.828 500 HE1 HIS 71 1HE HIS 71 9.890 -14.330 -3.323 501 HE2 HIS 71 2HE HIS 71 7.496 -14.927 -3.833 502 H CYS 72 H CYS 72 6.300 -12.627 3.164 503 HA CYS 72 HA CYS 72 8.448 -13.559 4.842 504 HB2 CYS 72 2HB CYS 72 7.741 -11.727 6.336 505 HB3 CYS 72 1HB CYS 72 8.105 -11.213 4.680 506 H LEU 73 H LEU 73 4.885 -13.444 5.088 507 HA LEU 73 HA LEU 73 4.705 -14.580 7.644 508 HB2 LEU 73 2HB LEU 73 2.424 -15.016 7.195 509 HB3 LEU 73 1HB LEU 73 2.823 -13.525 6.368 510 HG LEU 73 HG LEU 73 3.153 -15.055 4.284 511 HD11 LEU 73 1HD1 LEU 73 1.231 -16.889 4.617 512 HD12 LEU 73 2HD1 LEU 73 1.900 -16.872 6.247 513 HD13 LEU 73 3HD1 LEU 73 2.943 -17.228 4.869 514 HD21 LEU 73 3HD2 LEU 73 0.699 -13.968 5.524 515 HD22 LEU 73 1HD2 LEU 73 0.478 -15.057 4.156 516 HD23 LEU 73 2HD2 LEU 73 1.449 -13.597 3.973 517 H GLN 74 H GLN 74 5.472 -15.968 4.565 518 HA GLN 74 HA GLN 74 5.003 -18.699 5.431 519 HB2 GLN 74 2HB GLN 74 4.692 -18.065 3.066 520 HB3 GLN 74 1HB GLN 74 6.394 -17.640 2.962 521 HG2 GLN 74 2HG GLN 74 6.782 -19.712 2.290 522 HG3 GLN 74 1HG GLN 74 6.381 -20.248 3.922 523 HE21 GLN 74 1HE2 GLN 74 3.926 -20.395 4.288 524 HE22 GLN 74 2HE2 GLN 74 3.037 -21.197 3.041 525 H SER 75 H SER 75 7.693 -16.460 5.030 526 HA SER 75 HA SER 75 9.841 -18.215 5.379 527 HB2 SER 75 2HB SER 75 9.455 -15.279 5.895 528 HB3 SER 75 1HB SER 75 10.959 -16.070 6.372 529 HG SER 75 HG SER 75 11.208 -16.732 4.193 530 H ARG 76 H ARG 76 7.666 -16.756 7.720 531 HA ARG 76 HA ARG 76 9.252 -17.653 9.983 532 HB2 ARG 76 2HB ARG 76 8.008 -15.498 10.046 533 HB3 ARG 76 1HB ARG 76 6.501 -16.401 9.954 534 HG2 ARG 76 2HG ARG 76 8.123 -17.417 12.092 535 HG3 ARG 76 1HG ARG 76 7.926 -15.670 12.250 536 HD2 ARG 76 2HD ARG 76 5.706 -17.688 11.926 537 HD3 ARG 76 1HD ARG 76 6.159 -16.881 13.425 538 HE ARG 76 HE ARG 76 5.591 -14.923 11.504 539 HH11 ARG 76 1HH1 ARG 76 3.928 -17.382 13.362 540 HH12 ARG 76 2HH1 ARG 76 2.415 -16.542 13.350 541 HH21 ARG 76 1HH2 ARG 76 3.587 -13.823 11.488 542 HH22 ARG 76 2HH2 ARG 76 2.221 -14.526 12.286 543 H ALA 77 H ALA 77 6.339 -18.589 8.244 544 HA ALA 77 HA ALA 77 5.375 -20.486 10.112 545 HB1 ALA 77 1HB ALA 77 3.720 -19.989 8.640 546 HB2 ALA 77 2HB ALA 77 4.349 -21.426 7.834 547 HB3 ALA 77 3HB ALA 77 4.827 -19.823 7.278 548 H ARG 78 H ARG 78 7.751 -20.669 7.521 549 HA ARG 78 HA ARG 78 7.910 -23.435 7.215 550 HB2 ARG 78 2HB ARG 78 9.581 -21.136 6.538 551 HB3 ARG 78 1HB ARG 78 10.523 -22.581 6.881 552 HG2 ARG 78 2HG ARG 78 8.262 -23.161 5.173 553 HG3 ARG 78 1HG ARG 78 9.310 -21.919 4.485 554 HD2 ARG 78 2HD ARG 78 10.426 -24.470 5.610 555 HD3 ARG 78 1HD ARG 78 9.825 -24.385 3.956 556 HE ARG 78 HE ARG 78 12.295 -23.353 4.942 557 HH11 ARG 78 1HH1 ARG 78 9.797 -22.808 2.549 558 HH12 ARG 78 2HH1 ARG 78 10.849 -21.975 1.457 559 HH21 ARG 78 1HH2 ARG 78 13.681 -22.258 3.495 560 HH22 ARG 78 2HH2 ARG 78 13.057 -21.664 1.994 561 HA PRO 79 HA PRO 79 11.266 -23.687 10.630 562 HB2 PRO 79 2HB PRO 79 11.927 -21.501 12.057 563 HB3 PRO 79 1HB PRO 79 12.657 -21.846 10.484 564 HG2 PRO 79 2HG PRO 79 10.412 -19.982 11.163 565 HG3 PRO 79 1HG PRO 79 11.805 -19.711 10.097 566 HD2 PRO 79 2HD PRO 79 9.336 -20.378 9.175 567 HD3 PRO 79 1HD PRO 79 10.834 -20.833 8.341 568 H ALA 80 H ALA 80 8.852 -24.428 11.116 569 HA ALA 80 HA ALA 80 7.866 -23.209 13.589 570 HB1 ALA 80 1HB ALA 80 6.297 -23.658 11.708 571 HB2 ALA 80 2HB ALA 80 5.836 -24.432 13.226 572 HB3 ALA 80 3HB ALA 80 6.584 -25.382 11.941 Start of MODEL 16 1 H1 ALA 1 1HT ALA 1 -2.595 -2.404 8.824 2 H2 ALA 1 2HT ALA 1 -1.206 -1.927 9.712 3 H3 ALA 1 3HT ALA 1 -1.460 -3.581 9.341 4 HA ALA 1 HA ALA 1 0.189 -2.732 7.925 5 HB1 ALA 1 2HB ALA 1 -2.442 -3.057 6.485 6 HB2 ALA 1 3HB ALA 1 -1.354 -4.354 6.974 7 HB3 ALA 1 1HB ALA 1 -0.843 -3.191 5.751 8 H ARG 2 H ARG 2 1.129 -1.034 6.936 9 HA ARG 2 HA ARG 2 -0.021 1.549 7.195 10 HB2 ARG 2 2HB ARG 2 2.511 0.432 6.127 11 HB3 ARG 2 1HB ARG 2 2.027 1.999 5.495 12 HG2 ARG 2 2HG ARG 2 2.050 2.978 7.661 13 HG3 ARG 2 1HG ARG 2 2.237 1.403 8.437 14 HD2 ARG 2 2HD ARG 2 4.238 2.862 6.726 15 HD3 ARG 2 1HD ARG 2 4.367 2.482 8.444 16 HE ARG 2 HE ARG 2 4.161 0.043 7.370 17 HH11 ARG 2 1HH1 ARG 2 6.203 2.765 6.548 18 HH12 ARG 2 2HH1 ARG 2 7.451 1.778 5.867 19 HH21 ARG 2 1HH2 ARG 2 5.797 -1.247 6.468 20 HH22 ARG 2 2HH2 ARG 2 7.219 -0.503 5.818 21 H THR 3 H THR 3 -1.640 2.271 5.988 22 HA THR 3 HA THR 3 -1.697 1.564 3.129 23 HB THR 3 HB THR 3 -4.137 2.510 4.591 24 HG1 THR 3 1HG THR 3 -3.602 0.853 5.903 25 HG21 THR 3 3HG2 THR 3 -3.630 1.529 2.007 26 HG22 THR 3 1HG2 THR 3 -5.176 1.956 2.736 27 HG23 THR 3 2HG2 THR 3 -4.574 0.305 2.854 28 H LYS 4 H LYS 4 -1.366 3.184 1.751 29 HA LYS 4 HA LYS 4 -1.740 5.940 2.718 30 HB2 LYS 4 2HB LYS 4 0.577 5.262 2.035 31 HB3 LYS 4 1HB LYS 4 -0.028 5.026 0.401 32 HG2 LYS 4 2HG LYS 4 -0.870 7.549 0.878 33 HG3 LYS 4 1HG LYS 4 0.605 7.504 1.845 34 HD2 LYS 4 2HD LYS 4 1.764 6.575 -0.201 35 HD3 LYS 4 1HD LYS 4 0.305 6.981 -1.105 36 HE2 LYS 4 2HE LYS 4 1.707 8.823 -1.422 37 HE3 LYS 4 1HE LYS 4 0.594 9.339 -0.156 38 HZ1 LYS 4 3HZ LYS 4 3.105 8.088 0.670 39 HZ2 LYS 4 1HZ LYS 4 2.221 9.327 1.410 40 HZ3 LYS 4 2HZ LYS 4 3.184 9.663 0.060 41 H GLN 5 H GLN 5 -3.242 7.180 1.801 42 HA GLN 5 HA GLN 5 -4.584 6.165 -0.611 43 HB2 GLN 5 2HB GLN 5 -6.007 6.320 1.381 44 HB3 GLN 5 1HB GLN 5 -5.616 8.027 1.538 45 HG2 GLN 5 2HG GLN 5 -6.688 7.312 -1.080 46 HG3 GLN 5 1HG GLN 5 -7.796 6.996 0.253 47 HE21 GLN 5 1HE2 GLN 5 -7.614 9.066 -1.973 48 HE22 GLN 5 2HE2 GLN 5 -7.852 10.571 -1.155 49 H THR 6 H THR 6 -4.221 7.215 -2.437 50 HA THR 6 HA THR 6 -3.507 10.072 -2.309 51 HB THR 6 HB THR 6 -2.119 9.753 -4.285 52 HG1 THR 6 1HG THR 6 -2.933 8.130 -5.433 53 HG21 THR 6 3HG2 THR 6 -1.175 7.459 -2.696 54 HG22 THR 6 1HG2 THR 6 -1.369 8.988 -1.839 55 HG23 THR 6 2HG2 THR 6 -0.313 8.894 -3.249 56 H ALA 7 H ALA 7 -5.004 11.355 -3.139 57 HA ALA 7 HA ALA 7 -6.941 10.253 -5.042 58 HB1 ALA 7 1HB ALA 7 -7.984 12.644 -4.463 59 HB2 ALA 7 2HB ALA 7 -7.019 12.401 -3.008 60 HB3 ALA 7 3HB ALA 7 -8.245 11.217 -3.461 61 H ARG 8 H ARG 8 -7.674 11.627 -6.826 62 HA ARG 8 HA ARG 8 -5.658 13.531 -7.785 63 HB2 ARG 8 2HB ARG 8 -6.635 11.058 -9.168 64 HB3 ARG 8 1HB ARG 8 -6.161 12.457 -10.120 65 HG2 ARG 8 2HG ARG 8 -4.312 11.389 -8.034 66 HG3 ARG 8 1HG ARG 8 -4.434 10.590 -9.602 67 HD2 ARG 8 2HD ARG 8 -4.198 13.461 -9.889 68 HD3 ARG 8 1HD ARG 8 -2.859 12.796 -8.956 69 HE ARG 8 HE ARG 8 -2.166 11.593 -10.823 70 HH11 ARG 8 1HH1 ARG 8 -5.126 13.344 -11.508 71 HH12 ARG 8 2HH1 ARG 8 -5.004 13.122 -13.219 72 HH21 ARG 8 1HH2 ARG 8 -2.020 11.302 -13.080 73 HH22 ARG 8 2HH2 ARG 8 -3.243 11.963 -14.111 74 H LYS 9 H LYS 9 -6.766 15.378 -7.828 75 HA LYS 9 HA LYS 9 -9.164 15.519 -9.482 76 HB2 LYS 9 2HB LYS 9 -9.534 15.322 -6.816 77 HB3 LYS 9 1HB LYS 9 -9.335 17.062 -6.959 78 HG2 LYS 9 2HG LYS 9 -11.088 16.710 -8.925 79 HG3 LYS 9 1HG LYS 9 -11.515 15.314 -7.932 80 HD2 LYS 9 2HD LYS 9 -11.305 18.125 -6.862 81 HD3 LYS 9 1HD LYS 9 -12.811 17.407 -7.436 82 HE2 LYS 9 2HE LYS 9 -11.203 15.938 -5.402 83 HE3 LYS 9 1HE LYS 9 -12.141 17.337 -4.887 84 HZ1 LYS 9 3HZ LYS 9 -13.054 14.726 -5.813 85 HZ2 LYS 9 1HZ LYS 9 -13.987 16.061 -6.274 86 HZ3 LYS 9 2HZ LYS 9 -13.711 15.748 -4.636 87 H SER 10 H SER 10 -7.338 17.656 -7.253 88 HA SER 10 HA SER 10 -6.568 19.322 -9.521 89 HB2 SER 10 2HB SER 10 -7.855 20.601 -7.107 90 HB3 SER 10 1HB SER 10 -7.463 21.346 -8.656 91 HG SER 10 HG SER 10 -9.691 19.991 -7.910 92 H THR 11 H THR 11 -4.500 18.373 -8.945 93 HA THR 11 HA THR 11 -3.331 19.174 -6.408 94 HB THR 11 HB THR 11 -1.865 17.795 -8.647 95 HG1 THR 11 1HG THR 11 -3.572 16.601 -6.719 96 HG21 THR 11 3HG2 THR 11 -1.457 18.147 -5.744 97 HG22 THR 11 1HG2 THR 11 -0.285 18.056 -7.057 98 HG23 THR 11 2HG2 THR 11 -1.031 16.581 -6.436 99 H GLY 12 H GLY 12 -3.140 20.044 -9.815 100 HA2 GLY 12 2HA GLY 12 -2.383 22.627 -9.558 101 HA3 GLY 12 1HA GLY 12 -0.853 21.772 -9.436 102 H GLY 13 H GLY 13 -3.359 22.873 -11.529 103 HA2 GLY 13 2HA GLY 13 -2.257 21.446 -13.833 104 HA3 GLY 13 1HA GLY 13 -3.723 22.410 -13.816 105 H SER 14 H SER 14 -0.656 23.527 -12.523 106 HA SER 14 HA SER 14 -0.032 25.063 -14.896 107 HB2 SER 14 2HB SER 14 -1.739 26.303 -13.237 108 HB3 SER 14 1HB SER 14 -0.227 26.729 -12.437 109 HG SER 14 HG SER 14 0.320 27.954 -14.089 110 H SER 15 H SER 15 0.683 24.684 -11.417 111 HA SER 15 HA SER 15 3.547 24.767 -12.097 112 HB2 SER 15 2HB SER 15 2.190 25.536 -9.501 113 HB3 SER 15 1HB SER 15 3.935 25.515 -9.764 114 HG SER 15 HG SER 15 3.624 27.493 -10.414 115 H GLY 16 H GLY 16 1.482 23.484 -9.462 116 HA2 GLY 16 2HA GLY 16 1.267 21.063 -9.196 117 HA3 GLY 16 1HA GLY 16 2.936 20.924 -9.721 118 H SER 17 H SER 17 1.771 19.865 -7.300 119 HA SER 17 HA SER 17 2.798 21.548 -5.160 120 HB2 SER 17 2HB SER 17 1.098 19.112 -5.322 121 HB3 SER 17 1HB SER 17 2.057 19.325 -3.858 122 HG SER 17 HG SER 17 0.568 20.668 -3.261 123 H SER 18 H SER 18 5.031 21.471 -5.838 124 HA SER 18 HA SER 18 6.370 18.890 -5.470 125 HB2 SER 18 2HB SER 18 7.554 21.493 -6.464 126 HB3 SER 18 1HB SER 18 8.294 19.894 -6.542 127 HG SER 18 HG SER 18 7.204 19.512 -8.295 128 H GLN 19 H GLN 19 6.037 18.901 -3.158 129 HA GLN 19 HA GLN 19 7.414 20.942 -1.608 130 HB2 GLN 19 2HB GLN 19 5.775 18.533 -0.817 131 HB3 GLN 19 1HB GLN 19 6.567 19.584 0.348 132 HG2 GLN 19 2HG GLN 19 5.099 21.281 0.033 133 HG3 GLN 19 1HG GLN 19 4.810 20.869 -1.656 134 HE21 GLN 19 1HE2 GLN 19 3.439 20.957 1.320 135 HE22 GLN 19 2HE2 GLN 19 2.196 19.778 1.105 136 H SER 20 H SER 20 8.669 19.967 0.393 137 HA SER 20 HA SER 20 10.948 18.631 -0.715 138 HB2 SER 20 2HB SER 20 11.882 18.822 1.584 139 HB3 SER 20 1HB SER 20 11.287 20.358 0.954 140 HG SER 20 HG SER 20 10.036 20.434 2.626 141 H LEU 21 H LEU 21 9.061 17.772 2.208 142 HA LEU 21 HA LEU 21 8.726 15.055 1.317 143 HB2 LEU 21 2HB LEU 21 11.039 15.715 2.827 144 HB3 LEU 21 1HB LEU 21 9.971 14.808 3.879 145 HG LEU 21 HG LEU 21 10.569 13.759 1.141 146 HD11 LEU 21 1HD1 LEU 21 12.767 14.107 1.835 147 HD12 LEU 21 2HD1 LEU 21 12.431 12.445 2.319 148 HD13 LEU 21 3HD1 LEU 21 12.396 13.738 3.518 149 HD21 LEU 21 3HD2 LEU 21 10.225 11.614 2.259 150 HD22 LEU 21 1HD2 LEU 21 8.839 12.682 2.487 151 HD23 LEU 21 2HD2 LEU 21 9.997 12.447 3.797 152 H ILE 22 H ILE 22 6.599 14.974 1.739 153 HA ILE 22 HA ILE 22 5.675 15.823 4.403 154 HB ILE 22 HB ILE 22 3.423 15.994 3.465 155 HG12 ILE 22 2HG1 ILE 22 3.617 16.044 0.749 156 HG13 ILE 22 1HG1 ILE 22 4.734 14.727 1.132 157 HG21 ILE 22 1HG2 ILE 22 3.728 18.029 2.340 158 HG22 ILE 22 2HG2 ILE 22 5.276 17.523 1.665 159 HG23 ILE 22 3HG2 ILE 22 5.138 17.872 3.388 160 HD11 ILE 22 3HD1 ILE 22 3.011 13.362 1.322 161 HD12 ILE 22 1HD1 ILE 22 1.893 14.696 1.028 162 HD13 ILE 22 2HD1 ILE 22 2.406 14.322 2.673 163 H ASP 23 H ASP 23 5.628 13.156 2.093 164 HA ASP 23 HA ASP 23 5.099 11.286 4.221 165 HB2 ASP 23 2HB ASP 23 2.847 12.218 3.158 166 HB3 ASP 23 1HB ASP 23 3.214 11.021 1.921 167 H GLU 24 H GLU 24 5.262 9.008 3.460 168 HA GLU 24 HA GLU 24 7.248 8.844 1.323 169 HB2 GLU 24 2HB GLU 24 7.208 7.729 3.814 170 HB3 GLU 24 1HB GLU 24 6.616 6.395 2.832 171 HG2 GLU 24 2HG GLU 24 8.651 6.888 1.332 172 HG3 GLU 24 1HG GLU 24 9.259 7.789 2.720 173 H ASP 25 H ASP 25 6.186 8.767 -0.597 174 HA ASP 25 HA ASP 25 3.800 7.261 -1.023 175 HB2 ASP 25 2HB ASP 25 5.750 8.539 -2.945 176 HB3 ASP 25 1HB ASP 25 4.253 7.760 -3.450 177 H ALA 26 H ALA 26 3.628 5.557 -2.725 178 HA ALA 26 HA ALA 26 5.988 3.813 -2.882 179 HB1 ALA 26 1HB ALA 26 5.040 2.048 -1.843 180 HB2 ALA 26 2HB ALA 26 3.428 2.415 -2.456 181 HB3 ALA 26 3HB ALA 26 4.063 3.290 -1.062 182 H VAL 27 H VAL 27 5.224 1.766 -4.309 183 HA VAL 27 HA VAL 27 3.640 2.721 -6.588 184 HB VAL 27 HB VAL 27 5.299 1.745 -8.165 185 HG11 VAL 27 1HG1 VAL 27 5.220 4.221 -7.184 186 HG12 VAL 27 2HG1 VAL 27 6.423 3.710 -8.368 187 HG13 VAL 27 3HG1 VAL 27 6.842 3.776 -6.658 188 HG21 VAL 27 3HG2 VAL 27 6.673 0.259 -7.127 189 HG22 VAL 27 1HG2 VAL 27 6.712 1.174 -5.621 190 HG23 VAL 27 2HG2 VAL 27 7.696 1.688 -6.991 191 H CYS 28 H CYS 28 2.044 1.312 -6.900 192 HA CYS 28 HA CYS 28 1.977 -1.258 -5.769 193 HB2 CYS 28 2HB CYS 28 -0.090 -0.174 -6.143 194 HB3 CYS 28 1HB CYS 28 0.271 0.085 -7.854 195 H SER 29 H SER 29 1.989 -3.315 -6.725 196 HA SER 29 HA SER 29 3.747 -3.510 -9.059 197 HB2 SER 29 2HB SER 29 2.994 -5.511 -6.923 198 HB3 SER 29 1HB SER 29 3.996 -5.902 -8.321 199 HG SER 29 HG SER 29 4.563 -3.957 -6.329 200 H ILE 30 H ILE 30 0.542 -4.539 -7.927 201 HA ILE 30 HA ILE 30 0.009 -6.298 -10.087 202 HB ILE 30 HB ILE 30 -1.762 -4.885 -8.105 203 HG12 ILE 30 2HG1 ILE 30 -2.250 -7.539 -7.859 204 HG13 ILE 30 1HG1 ILE 30 -0.584 -7.583 -8.454 205 HG21 ILE 30 1HG2 ILE 30 -3.084 -4.958 -10.117 206 HG22 ILE 30 2HG2 ILE 30 -3.663 -6.206 -9.010 207 HG23 ILE 30 3HG2 ILE 30 -2.652 -6.650 -10.385 208 HD11 ILE 30 3HD1 ILE 30 -1.295 -5.804 -6.165 209 HD12 ILE 30 1HD1 ILE 30 0.246 -6.558 -6.572 210 HD13 ILE 30 2HD1 ILE 30 -1.063 -7.532 -5.905 211 H CYS 31 H CYS 31 -0.142 -2.837 -9.746 212 HA CYS 31 HA CYS 31 -0.884 -2.606 -12.547 213 HB2 CYS 31 2HB CYS 31 -2.795 -1.307 -12.235 214 HB3 CYS 31 1HB CYS 31 -2.941 -2.527 -10.963 215 H MET 32 H MET 32 -0.242 -0.663 -13.526 216 HA MET 32 HA MET 32 1.788 0.818 -12.009 217 HB2 MET 32 2HB MET 32 1.424 0.086 -14.853 218 HB3 MET 32 1HB MET 32 2.080 1.693 -14.571 219 HG2 MET 32 2HG MET 32 3.325 -0.484 -13.027 220 HG3 MET 32 1HG MET 32 3.569 -0.536 -14.772 221 HE1 MET 32 3HE MET 32 5.432 0.644 -11.663 222 HE2 MET 32 1HE MET 32 3.838 1.386 -11.547 223 HE3 MET 32 2HE MET 32 5.267 2.398 -11.748 224 H ASP 33 H ASP 33 -1.008 1.358 -11.579 225 HA ASP 33 HA ASP 33 -2.486 3.070 -11.404 226 HB2 ASP 33 2HB ASP 33 0.175 4.403 -11.539 227 HB3 ASP 33 1HB ASP 33 -1.255 5.429 -11.716 228 H GLY 34 H GLY 34 -2.127 1.869 -14.037 229 HA2 GLY 34 2HA GLY 34 -2.161 3.876 -16.057 230 HA3 GLY 34 1HA GLY 34 -2.709 2.205 -16.239 231 H GLU 35 H GLU 35 -4.648 2.449 -14.031 232 HA GLU 35 HA GLU 35 -6.809 3.589 -15.572 233 HB2 GLU 35 2HB GLU 35 -8.237 2.742 -13.688 234 HB3 GLU 35 1HB GLU 35 -7.277 1.505 -14.486 235 HG2 GLU 35 2HG GLU 35 -5.749 1.394 -12.684 236 HG3 GLU 35 1HG GLU 35 -6.401 2.854 -11.949 237 H SER 36 H SER 36 -7.618 5.570 -15.345 238 HA SER 36 HA SER 36 -6.508 7.353 -13.386 239 HB2 SER 36 2HB SER 36 -7.783 7.628 -15.907 240 HB3 SER 36 1HB SER 36 -8.748 8.528 -14.738 241 HG SER 36 HG SER 36 -6.842 9.625 -14.121 242 H GLN 37 H GLN 37 -7.183 6.501 -11.414 243 HA GLN 37 HA GLN 37 -10.057 6.474 -10.853 244 HB2 GLN 37 2HB GLN 37 -7.842 4.907 -9.979 245 HB3 GLN 37 1HB GLN 37 -8.509 5.739 -8.568 246 HG2 GLN 37 2HG GLN 37 -10.112 4.073 -10.501 247 HG3 GLN 37 1HG GLN 37 -9.479 3.501 -8.958 248 HE21 GLN 37 1HE2 GLN 37 -10.120 4.898 -7.047 249 HE22 GLN 37 2HE2 GLN 37 -11.759 5.442 -7.010 250 H ASN 38 H ASN 38 -10.875 7.481 -8.915 251 HA ASN 38 HA ASN 38 -9.886 10.143 -8.566 252 HB2 ASN 38 2HB ASN 38 -12.086 8.631 -7.137 253 HB3 ASN 38 1HB ASN 38 -11.749 10.345 -6.913 254 HD21 ASN 38 1HD2 ASN 38 -13.512 11.282 -7.767 255 HD22 ASN 38 2HD2 ASN 38 -14.061 11.056 -9.389 256 H SER 39 H SER 39 -9.693 7.145 -6.741 257 HA SER 39 HA SER 39 -7.557 8.184 -5.124 258 HB2 SER 39 2HB SER 39 -9.282 9.068 -3.752 259 HB3 SER 39 1HB SER 39 -10.257 7.601 -3.904 260 HG SER 39 HG SER 39 -9.331 7.286 -2.001 261 H ASN 40 H ASN 40 -6.354 6.561 -4.091 262 HA ASN 40 HA ASN 40 -7.280 3.800 -4.281 263 HB2 ASN 40 2HB ASN 40 -5.048 3.141 -5.314 264 HB3 ASN 40 1HB ASN 40 -6.182 3.954 -6.383 265 HD21 ASN 40 1HD2 ASN 40 -3.307 4.414 -4.403 266 HD22 ASN 40 2HD2 ASN 40 -2.698 5.767 -5.285 267 H VAL 41 H VAL 41 -6.310 2.394 -2.811 268 HA VAL 41 HA VAL 41 -4.548 3.695 -0.837 269 HB VAL 41 HB VAL 41 -5.375 2.019 0.806 270 HG11 VAL 41 1HG1 VAL 41 -7.910 3.125 0.408 271 HG12 VAL 41 2HG1 VAL 41 -6.769 4.294 -0.257 272 HG13 VAL 41 3HG1 VAL 41 -6.606 3.754 1.416 273 HG21 VAL 41 3HG2 VAL 41 -6.483 0.238 0.084 274 HG22 VAL 41 1HG2 VAL 41 -6.660 0.933 -1.528 275 HG23 VAL 41 2HG2 VAL 41 -7.849 1.295 -0.276 276 H ILE 42 H ILE 42 -2.507 3.100 -1.199 277 HA ILE 42 HA ILE 42 -1.890 0.422 -2.149 278 HB ILE 42 HB ILE 42 -0.707 2.518 -2.981 279 HG12 ILE 42 2HG1 ILE 42 1.427 0.720 -1.983 280 HG13 ILE 42 1HG1 ILE 42 0.106 -0.061 -2.863 281 HG21 ILE 42 1HG2 ILE 42 1.180 3.337 -1.666 282 HG22 ILE 42 2HG2 ILE 42 0.718 2.277 -0.335 283 HG23 ILE 42 3HG2 ILE 42 -0.349 3.592 -0.824 284 HD11 ILE 42 3HD1 ILE 42 1.418 2.341 -4.037 285 HD12 ILE 42 1HD1 ILE 42 0.637 0.975 -4.838 286 HD13 ILE 42 2HD1 ILE 42 2.233 0.780 -4.110 287 H LEU 43 H LEU 43 -0.275 -0.928 -1.021 288 HA LEU 43 HA LEU 43 -0.223 -0.454 1.879 289 HB2 LEU 43 2HB LEU 43 -0.898 -3.027 0.466 290 HB3 LEU 43 1HB LEU 43 -0.503 -2.931 2.171 291 HG LEU 43 HG LEU 43 -2.822 -1.519 0.861 292 HD11 LEU 43 1HD1 LEU 43 -3.384 -3.785 0.813 293 HD12 LEU 43 2HD1 LEU 43 -4.126 -3.175 2.293 294 HD13 LEU 43 3HD1 LEU 43 -2.623 -4.098 2.372 295 HD21 LEU 43 3HD2 LEU 43 -1.763 -1.630 3.654 296 HD22 LEU 43 1HD2 LEU 43 -3.481 -1.369 3.355 297 HD23 LEU 43 2HD2 LEU 43 -2.295 -0.237 2.712 298 H PHE 44 H PHE 44 1.721 -0.525 2.709 299 HA PHE 44 HA PHE 44 3.876 -1.802 1.156 300 HB2 PHE 44 2HB PHE 44 3.724 0.774 2.016 301 HB3 PHE 44 1HB PHE 44 4.589 0.036 3.358 302 HD1 PHE 44 1HD PHE 44 4.720 -0.572 -0.314 303 HD2 PHE 44 2HD PHE 44 6.805 0.635 3.196 304 HE1 PHE 44 1HE PHE 44 6.817 -0.446 -1.602 305 HE2 PHE 44 2HE PHE 44 8.900 0.765 1.916 306 HZ PHE 44 HZ PHE 44 8.909 0.225 -0.486 307 H CYS 45 H CYS 45 5.071 -3.439 2.033 308 HA CYS 45 HA CYS 45 4.094 -4.698 4.384 309 HB2 CYS 45 2HB CYS 45 5.318 -5.803 2.425 310 HB3 CYS 45 1HB CYS 45 6.809 -5.249 3.203 311 H ASP 46 H ASP 46 5.119 -5.043 6.405 312 HA ASP 46 HA ASP 46 6.503 -2.694 7.370 313 HB2 ASP 46 2HB ASP 46 4.990 -4.915 8.556 314 HB3 ASP 46 1HB ASP 46 6.359 -4.365 9.529 315 H MET 47 H MET 47 7.460 -5.770 6.208 316 HA MET 47 HA MET 47 10.154 -5.293 7.288 317 HB2 MET 47 2HB MET 47 8.578 -7.380 8.126 318 HB3 MET 47 1HB MET 47 9.474 -8.117 6.798 319 HG2 MET 47 2HG MET 47 10.808 -8.567 8.620 320 HG3 MET 47 1HG MET 47 11.554 -7.116 7.952 321 HE1 MET 47 3HE MET 47 11.791 -7.974 11.530 322 HE2 MET 47 1HE MET 47 12.373 -6.313 11.417 323 HE3 MET 47 2HE MET 47 12.722 -7.459 10.122 324 H CYS 48 H CYS 48 8.452 -5.002 4.688 325 HA CYS 48 HA CYS 48 10.588 -5.783 2.890 326 HB2 CYS 48 2HB CYS 48 7.725 -6.620 2.390 327 HB3 CYS 48 1HB CYS 48 9.141 -7.011 1.427 328 H ASN 49 H ASN 49 9.604 -5.210 0.515 329 HA ASN 49 HA ASN 49 8.618 -2.450 0.715 330 HB2 ASN 49 2HB ASN 49 10.524 -3.767 -1.211 331 HB3 ASN 49 1HB ASN 49 9.676 -2.277 -1.645 332 HD21 ASN 49 1HD2 ASN 49 11.903 -3.726 0.666 333 HD22 ASN 49 2HD2 ASN 49 12.657 -2.246 1.138 334 H LEU 50 H LEU 50 7.165 -5.157 0.444 335 HA LEU 50 HA LEU 50 6.028 -5.277 -2.132 336 HB2 LEU 50 2HB LEU 50 5.940 -7.165 -0.584 337 HB3 LEU 50 1HB LEU 50 4.919 -6.235 0.515 338 HG LEU 50 HG LEU 50 3.320 -6.103 -1.571 339 HD11 LEU 50 1HD1 LEU 50 3.572 -8.547 -2.607 340 HD12 LEU 50 2HD1 LEU 50 5.275 -8.193 -2.315 341 HD13 LEU 50 3HD1 LEU 50 4.312 -7.120 -3.330 342 HD21 LEU 50 3HD2 LEU 50 3.093 -7.315 0.705 343 HD22 LEU 50 1HD2 LEU 50 3.460 -8.770 -0.224 344 HD23 LEU 50 2HD2 LEU 50 2.050 -7.795 -0.634 345 H ALA 51 H ALA 51 5.316 -3.328 -2.854 346 HA ALA 51 HA ALA 51 3.266 -1.940 -1.286 347 HB1 ALA 51 1HB ALA 51 4.020 -0.560 -3.700 348 HB2 ALA 51 2HB ALA 51 5.448 -0.994 -2.763 349 HB3 ALA 51 3HB ALA 51 4.164 -0.039 -2.021 350 H VAL 52 H VAL 52 1.290 -2.800 -1.739 351 HA VAL 52 HA VAL 52 0.393 -2.746 -4.522 352 HB VAL 52 HB VAL 52 -0.723 -4.986 -4.242 353 HG11 VAL 52 1HG1 VAL 52 1.389 -6.287 -4.667 354 HG12 VAL 52 2HG1 VAL 52 2.279 -4.806 -4.322 355 HG13 VAL 52 3HG1 VAL 52 1.155 -4.863 -5.680 356 HG21 VAL 52 3HG2 VAL 52 0.750 -4.847 -1.690 357 HG22 VAL 52 1HG2 VAL 52 0.828 -6.390 -2.540 358 HG23 VAL 52 2HG2 VAL 52 -0.735 -5.704 -2.103 359 H HIS 53 H HIS 53 -1.726 -2.121 -4.742 360 HA HIS 53 HA HIS 53 -3.095 -1.028 -2.537 361 HB2 HIS 53 2HB HIS 53 -4.328 -1.912 -5.159 362 HB3 HIS 53 1HB HIS 53 -5.019 -0.773 -4.016 363 HD2 HIS 53 2HD HIS 53 -3.495 1.700 -3.822 364 HE1 HIS 53 1HE HIS 53 -1.969 1.192 -7.737 365 HE2 HIS 53 2HE HIS 53 -2.436 2.861 -5.887 366 H GLN 54 H GLN 54 -4.807 -1.795 -1.267 367 HA GLN 54 HA GLN 54 -4.836 -4.562 -0.715 368 HB2 GLN 54 2HB GLN 54 -6.630 -4.100 0.835 369 HB3 GLN 54 1HB GLN 54 -5.424 -2.832 0.950 370 HG2 GLN 54 2HG GLN 54 -7.168 -1.449 0.861 371 HG3 GLN 54 1HG GLN 54 -7.128 -1.769 -0.880 372 HE21 GLN 54 1HE2 GLN 54 -8.284 -3.552 1.978 373 HE22 GLN 54 2HE2 GLN 54 -9.871 -3.844 1.364 374 H GLU 55 H GLU 55 -6.496 -2.731 -3.087 375 HA GLU 55 HA GLU 55 -8.609 -4.706 -3.444 376 HB2 GLU 55 2HB GLU 55 -8.668 -2.046 -3.798 377 HB3 GLU 55 1HB GLU 55 -8.186 -2.525 -5.421 378 HG2 GLU 55 2HG GLU 55 -10.499 -2.417 -5.532 379 HG3 GLU 55 1HG GLU 55 -10.169 -4.138 -5.331 380 H CYS 56 H CYS 56 -5.555 -3.747 -4.686 381 HA CYS 56 HA CYS 56 -5.675 -5.160 -7.162 382 HB2 CYS 56 2HB CYS 56 -3.903 -3.347 -5.784 383 HB3 CYS 56 1HB CYS 56 -3.009 -4.701 -6.412 384 H TYR 57 H TYR 57 -4.418 -5.741 -3.921 385 HA TYR 57 HA TYR 57 -3.239 -8.262 -4.676 386 HB2 TYR 57 2HB TYR 57 -2.459 -6.563 -2.830 387 HB3 TYR 57 1HB TYR 57 -3.614 -7.431 -1.826 388 HD1 TYR 57 2HD TYR 57 -0.434 -7.650 -3.630 389 HD2 TYR 57 1HD TYR 57 -3.207 -9.732 -1.164 390 HE1 TYR 57 2HE TYR 57 1.261 -9.377 -3.193 391 HE2 TYR 57 1HE TYR 57 -1.520 -11.463 -0.720 392 HH TYR 57 HH TYR 57 1.072 -11.552 -0.729 393 H GLY 58 H GLY 58 -6.125 -7.121 -3.009 394 HA2 GLY 58 2HA GLY 58 -8.168 -8.324 -2.990 395 HA3 GLY 58 1HA GLY 58 -7.256 -9.821 -3.229 396 H VAL 59 H VAL 59 -6.880 -7.223 -0.824 397 HA VAL 59 HA VAL 59 -6.647 -9.169 1.293 398 HB VAL 59 HB VAL 59 -6.748 -6.160 1.543 399 HG11 VAL 59 1HG1 VAL 59 -5.358 -8.062 3.396 400 HG12 VAL 59 2HG1 VAL 59 -7.075 -7.708 3.578 401 HG13 VAL 59 3HG1 VAL 59 -5.891 -6.407 3.693 402 HG21 VAL 59 3HG2 VAL 59 -4.965 -6.921 -0.007 403 HG22 VAL 59 1HG2 VAL 59 -4.304 -7.910 1.294 404 HG23 VAL 59 2HG2 VAL 59 -4.341 -6.154 1.454 405 HA PRO 60 HA PRO 60 -10.999 -9.142 2.249 406 HB2 PRO 60 2HB PRO 60 -10.864 -10.424 4.647 407 HB3 PRO 60 1HB PRO 60 -10.722 -11.255 3.090 408 HG2 PRO 60 2HG PRO 60 -8.573 -10.393 4.984 409 HG3 PRO 60 1HG PRO 60 -8.718 -11.901 4.063 410 HD2 PRO 60 2HD PRO 60 -7.104 -9.860 3.295 411 HD3 PRO 60 1HD PRO 60 -7.887 -10.953 2.137 412 H TYR 61 H TYR 61 -8.716 -8.298 4.869 413 HA TYR 61 HA TYR 61 -10.283 -5.918 5.447 414 HB2 TYR 61 2HB TYR 61 -11.281 -7.618 6.913 415 HB3 TYR 61 1HB TYR 61 -9.682 -7.999 7.567 416 HD1 TYR 61 2HD TYR 61 -11.657 -4.862 6.986 417 HD2 TYR 61 1HD TYR 61 -9.374 -7.208 9.706 418 HE1 TYR 61 2HE TYR 61 -11.963 -3.145 8.716 419 HE2 TYR 61 1HE TYR 61 -9.675 -5.495 11.444 420 HH TYR 61 HH TYR 61 -10.557 -2.448 10.890 421 H ILE 62 H ILE 62 -9.066 -4.248 6.285 422 HA ILE 62 HA ILE 62 -6.198 -4.569 6.118 423 HB ILE 62 HB ILE 62 -7.764 -2.082 6.818 424 HG12 ILE 62 2HG1 ILE 62 -6.579 -2.643 4.115 425 HG13 ILE 62 1HG1 ILE 62 -8.175 -3.266 4.519 426 HG21 ILE 62 1HG2 ILE 62 -4.896 -2.599 6.113 427 HG22 ILE 62 2HG2 ILE 62 -5.560 -1.700 7.477 428 HG23 ILE 62 3HG2 ILE 62 -5.633 -1.019 5.852 429 HD11 ILE 62 3HD1 ILE 62 -7.276 -0.446 4.176 430 HD12 ILE 62 1HD1 ILE 62 -8.678 -0.809 5.181 431 HD13 ILE 62 2HD1 ILE 62 -8.667 -1.278 3.480 432 HA PRO 63 HA PRO 63 -5.959 -5.429 10.542 433 HB2 PRO 63 2HB PRO 63 -3.054 -5.324 10.003 434 HB3 PRO 63 1HB PRO 63 -4.030 -6.637 10.692 435 HG2 PRO 63 2HG PRO 63 -3.032 -6.792 8.210 436 HG3 PRO 63 1HG PRO 63 -4.628 -7.455 8.613 437 HD2 PRO 63 2HD PRO 63 -3.937 -4.893 7.222 438 HD3 PRO 63 1HD PRO 63 -5.223 -6.061 6.859 439 H GLU 64 H GLU 64 -5.019 -4.397 12.416 440 HA GLU 64 HA GLU 64 -4.369 -1.566 11.933 441 HB2 GLU 64 2HB GLU 64 -5.821 -2.971 14.154 442 HB3 GLU 64 1HB GLU 64 -5.093 -1.395 14.426 443 HG2 GLU 64 2HG GLU 64 -6.435 -0.454 12.620 444 HG3 GLU 64 1HG GLU 64 -7.156 -2.036 12.330 445 H GLY 65 H GLY 65 -2.375 -3.669 11.846 446 HA2 GLY 65 2HA GLY 65 -0.580 -2.599 13.891 447 HA3 GLY 65 1HA GLY 65 -0.831 -4.338 13.882 448 H GLN 66 H GLN 66 0.937 -5.264 13.075 449 HA GLN 66 HA GLN 66 2.464 -3.947 10.980 450 HB2 GLN 66 2HB GLN 66 2.953 -6.555 12.432 451 HB3 GLN 66 1HB GLN 66 4.063 -5.804 11.293 452 HG2 GLN 66 2HG GLN 66 3.881 -3.767 12.932 453 HG3 GLN 66 1HG GLN 66 3.375 -5.010 14.076 454 HE21 GLN 66 1HE2 GLN 66 5.982 -3.808 12.107 455 HE22 GLN 66 2HE2 GLN 66 7.236 -4.737 12.849 456 H TRP 67 H TRP 67 2.903 -4.830 8.942 457 HA TRP 67 HA TRP 67 1.029 -6.935 8.078 458 HB2 TRP 67 2HB TRP 67 0.598 -4.603 7.182 459 HB3 TRP 67 1HB TRP 67 2.125 -4.736 6.318 460 HD1 TRP 67 HD TRP 67 -0.644 -7.435 6.632 461 HE1 TRP 67 1HE TRP 67 -1.394 -8.085 4.258 462 HE3 TRP 67 3HE TRP 67 2.167 -4.111 3.949 463 HZ2 TRP 67 2HZ TRP 67 -0.867 -7.294 1.600 464 HZ3 TRP 67 3HZ TRP 67 1.986 -4.126 1.496 465 HH2 TRP 67 HH TRP 67 0.501 -5.683 0.347 466 H LEU 68 H LEU 68 2.095 -8.769 7.759 467 HA LEU 68 HA LEU 68 4.766 -8.656 6.508 468 HB2 LEU 68 2HB LEU 68 3.583 -10.660 8.426 469 HB3 LEU 68 1HB LEU 68 5.001 -11.013 7.463 470 HG LEU 68 HG LEU 68 5.391 -10.287 9.868 471 HD11 LEU 68 1HD1 LEU 68 6.742 -8.725 7.676 472 HD12 LEU 68 2HD1 LEU 68 7.152 -10.366 8.178 473 HD13 LEU 68 3HD1 LEU 68 7.381 -9.017 9.293 474 HD21 LEU 68 3HD2 LEU 68 5.214 -8.046 10.493 475 HD22 LEU 68 1HD2 LEU 68 3.705 -8.367 9.639 476 HD23 LEU 68 2HD2 LEU 68 5.010 -7.501 8.829 477 H CYS 69 H CYS 69 4.438 -8.974 4.372 478 HA CYS 69 HA CYS 69 2.323 -10.332 3.193 479 HB2 CYS 69 2HB CYS 69 3.644 -10.343 1.137 480 HB3 CYS 69 1HB CYS 69 3.793 -8.787 1.962 481 H ARG 70 H ARG 70 2.408 -12.349 1.940 482 HA ARG 70 HA ARG 70 2.854 -14.562 3.508 483 HB2 ARG 70 2HB ARG 70 2.898 -14.518 0.493 484 HB3 ARG 70 1HB ARG 70 2.544 -15.906 1.511 485 HG2 ARG 70 2HG ARG 70 0.790 -13.751 2.201 486 HG3 ARG 70 1HG ARG 70 0.743 -14.019 0.458 487 HD2 ARG 70 2HD ARG 70 0.404 -16.188 2.525 488 HD3 ARG 70 1HD ARG 70 -0.929 -15.344 1.745 489 HE ARG 70 HE ARG 70 -0.357 -16.379 -0.303 490 HH11 ARG 70 1HH1 ARG 70 1.589 -17.533 2.383 491 HH12 ARG 70 2HH1 ARG 70 2.088 -18.968 1.556 492 HH21 ARG 70 1HH2 ARG 70 0.315 -18.275 -1.376 493 HH22 ARG 70 2HH2 ARG 70 1.369 -19.389 -0.572 494 H HIS 71 H HIS 71 5.240 -12.875 1.586 495 HA HIS 71 HA HIS 71 7.055 -15.069 1.379 496 HB2 HIS 71 2HB HIS 71 7.040 -13.126 -0.179 497 HB3 HIS 71 1HB HIS 71 7.618 -12.108 1.135 498 HD1 HIS 71 1HD HIS 71 10.077 -12.538 1.962 499 HD2 HIS 71 2HD HIS 71 8.978 -14.635 -1.453 500 HE1 HIS 71 1HE HIS 71 12.232 -13.348 0.950 501 HE2 HIS 71 2HE HIS 71 11.536 -14.686 -1.068 502 H CYS 72 H CYS 72 6.804 -12.238 3.507 503 HA CYS 72 HA CYS 72 9.118 -13.070 5.008 504 HB2 CYS 72 2HB CYS 72 8.610 -11.118 6.415 505 HB3 CYS 72 1HB CYS 72 8.766 -10.738 4.693 506 H LEU 73 H LEU 73 5.608 -12.891 5.629 507 HA LEU 73 HA LEU 73 5.699 -13.815 8.274 508 HB2 LEU 73 2HB LEU 73 3.380 -14.258 8.101 509 HB3 LEU 73 1HB LEU 73 3.698 -12.844 7.119 510 HG LEU 73 HG LEU 73 3.804 -14.542 5.145 511 HD11 LEU 73 1HD1 LEU 73 3.640 -16.657 5.924 512 HD12 LEU 73 2HD1 LEU 73 1.913 -16.314 5.824 513 HD13 LEU 73 3HD1 LEU 73 2.752 -16.175 7.370 514 HD21 LEU 73 3HD2 LEU 73 1.522 -13.286 6.524 515 HD22 LEU 73 1HD2 LEU 73 1.116 -14.521 5.331 516 HD23 LEU 73 2HD2 LEU 73 2.075 -13.120 4.859 517 H GLN 74 H GLN 74 6.121 -15.451 5.252 518 HA GLN 74 HA GLN 74 5.746 -18.103 6.373 519 HB2 GLN 74 2HB GLN 74 5.157 -17.653 4.030 520 HB3 GLN 74 1HB GLN 74 6.827 -17.229 3.688 521 HG2 GLN 74 2HG GLN 74 7.043 -19.738 4.786 522 HG3 GLN 74 1HG GLN 74 5.551 -19.835 3.854 523 HE21 GLN 74 1HE2 GLN 74 7.235 -21.450 2.881 524 HE22 GLN 74 2HE2 GLN 74 8.086 -20.853 1.502 525 H SER 75 H SER 75 8.380 -15.924 5.540 526 HA SER 75 HA SER 75 10.567 -17.629 5.681 527 HB2 SER 75 2HB SER 75 10.147 -14.711 6.108 528 HB3 SER 75 1HB SER 75 11.660 -15.401 6.698 529 HG SER 75 HG SER 75 12.324 -15.479 4.716 530 H ARG 76 H ARG 76 8.771 -16.053 8.289 531 HA ARG 76 HA ARG 76 10.549 -17.108 10.326 532 HB2 ARG 76 2HB ARG 76 9.491 -14.873 10.572 533 HB3 ARG 76 1HB ARG 76 7.916 -15.654 10.647 534 HG2 ARG 76 2HG ARG 76 9.065 -16.990 12.617 535 HG3 ARG 76 1HG ARG 76 10.086 -15.552 12.672 536 HD2 ARG 76 2HD ARG 76 7.228 -14.967 12.461 537 HD3 ARG 76 1HD ARG 76 7.667 -15.843 13.925 538 HE ARG 76 HE ARG 76 9.419 -13.654 13.476 539 HH11 ARG 76 1HH1 ARG 76 6.206 -14.440 14.622 540 HH12 ARG 76 2HH1 ARG 76 6.094 -13.046 15.642 541 HH21 ARG 76 1HH2 ARG 76 9.263 -11.813 14.821 542 HH22 ARG 76 2HH2 ARG 76 7.828 -11.555 15.755 543 H ALA 77 H ALA 77 7.429 -17.862 8.912 544 HA ALA 77 HA ALA 77 6.442 -19.615 10.865 545 HB1 ALA 77 1HB ALA 77 5.958 -19.970 7.921 546 HB2 ALA 77 2HB ALA 77 5.225 -18.657 8.841 547 HB3 ALA 77 3HB ALA 77 4.877 -20.332 9.266 548 H ARG 78 H ARG 78 8.811 -20.091 8.316 549 HA ARG 78 HA ARG 78 8.819 -22.907 8.292 550 HB2 ARG 78 2HB ARG 78 10.264 -20.843 7.011 551 HB3 ARG 78 1HB ARG 78 11.456 -21.883 7.778 552 HG2 ARG 78 2HG ARG 78 9.566 -23.565 6.527 553 HG3 ARG 78 1HG ARG 78 9.995 -22.300 5.373 554 HD2 ARG 78 2HD ARG 78 12.238 -22.892 5.363 555 HD3 ARG 78 1HD ARG 78 12.130 -23.713 6.920 556 HE ARG 78 HE ARG 78 10.538 -25.013 4.956 557 HH11 ARG 78 1HH1 ARG 78 13.853 -24.613 6.011 558 HH12 ARG 78 2HH1 ARG 78 14.367 -26.143 5.387 559 HH21 ARG 78 1HH2 ARG 78 11.223 -27.033 4.137 560 HH22 ARG 78 2HH2 ARG 78 12.875 -27.516 4.324 561 HA PRO 79 HA PRO 79 12.485 -22.794 11.436 562 HB2 PRO 79 2HB PRO 79 13.043 -20.428 12.660 563 HB3 PRO 79 1HB PRO 79 13.811 -20.940 11.153 564 HG2 PRO 79 2HG PRO 79 11.504 -19.076 11.564 565 HG3 PRO 79 1HG PRO 79 12.902 -18.904 10.486 566 HD2 PRO 79 2HD PRO 79 10.494 -19.721 9.593 567 HD3 PRO 79 1HD PRO 79 12.011 -20.328 8.899 568 H ALA 80 H ALA 80 12.680 -22.352 13.916 569 HA ALA 80 HA ALA 80 11.781 -22.512 15.990 570 HB1 ALA 80 1HB ALA 80 10.033 -20.516 14.677 571 HB2 ALA 80 2HB ALA 80 10.989 -20.396 16.154 572 HB3 ALA 80 3HB ALA 80 9.438 -21.237 16.172 Start of MODEL 17 1 H1 ALA 1 1HT ALA 1 -2.588 -1.395 9.200 2 H2 ALA 1 2HT ALA 1 -1.096 -1.032 9.970 3 H3 ALA 1 3HT ALA 1 -1.598 -2.664 9.793 4 HA ALA 1 HA ALA 1 0.091 -2.151 8.232 5 HB1 ALA 1 2HB ALA 1 -2.669 -2.507 7.075 6 HB2 ALA 1 3HB ALA 1 -1.510 -3.764 7.512 7 HB3 ALA 1 1HB ALA 1 -1.182 -2.698 6.145 8 H ARG 2 H ARG 2 1.134 -0.671 7.028 9 HA ARG 2 HA ARG 2 0.290 2.014 6.963 10 HB2 ARG 2 2HB ARG 2 2.631 0.557 6.306 11 HB3 ARG 2 1HB ARG 2 2.203 1.501 4.884 12 HG2 ARG 2 2HG ARG 2 3.241 3.210 5.833 13 HG3 ARG 2 1HG ARG 2 1.911 3.283 6.989 14 HD2 ARG 2 2HD ARG 2 4.320 3.144 7.887 15 HD3 ARG 2 1HD ARG 2 3.093 2.114 8.613 16 HE ARG 2 HE ARG 2 4.296 0.308 7.923 17 HH11 ARG 2 1HH1 ARG 2 5.245 3.035 5.927 18 HH12 ARG 2 2HH1 ARG 2 6.453 2.143 5.067 19 HH21 ARG 2 1HH2 ARG 2 5.880 -0.855 6.787 20 HH22 ARG 2 2HH2 ARG 2 6.810 -0.079 5.553 21 H THR 3 H THR 3 -1.312 2.840 5.783 22 HA THR 3 HA THR 3 -1.664 1.874 3.025 23 HB THR 3 HB THR 3 -4.002 2.898 4.601 24 HG1 THR 3 1HG THR 3 -3.406 1.294 5.945 25 HG21 THR 3 3HG2 THR 3 -5.022 2.420 2.704 26 HG22 THR 3 1HG2 THR 3 -4.768 0.720 3.092 27 HG23 THR 3 2HG2 THR 3 -3.613 1.571 2.069 28 H LYS 4 H LYS 4 -1.465 3.412 1.534 29 HA LYS 4 HA LYS 4 -1.723 6.224 2.372 30 HB2 LYS 4 2HB LYS 4 0.402 4.971 1.120 31 HB3 LYS 4 1HB LYS 4 -0.438 5.746 -0.216 32 HG2 LYS 4 2HG LYS 4 -0.405 7.829 1.378 33 HG3 LYS 4 1HG LYS 4 0.943 6.967 2.124 34 HD2 LYS 4 2HD LYS 4 2.290 7.210 0.298 35 HD3 LYS 4 1HD LYS 4 0.939 7.202 -0.836 36 HE2 LYS 4 2HE LYS 4 1.519 9.400 -0.975 37 HE3 LYS 4 1HE LYS 4 0.382 9.492 0.368 38 HZ1 LYS 4 3HZ LYS 4 3.205 9.005 0.983 39 HZ2 LYS 4 1HZ LYS 4 2.039 9.855 1.870 40 HZ3 LYS 4 2HZ LYS 4 2.756 10.564 0.510 41 H GLN 5 H GLN 5 -3.324 7.416 1.527 42 HA GLN 5 HA GLN 5 -4.861 6.258 -0.699 43 HB2 GLN 5 2HB GLN 5 -5.948 6.658 1.579 44 HB3 GLN 5 1HB GLN 5 -5.844 8.373 1.209 45 HG2 GLN 5 2HG GLN 5 -7.622 8.295 -0.120 46 HG3 GLN 5 1HG GLN 5 -7.032 6.864 -0.962 47 HE21 GLN 5 1HE2 GLN 5 -9.072 5.930 -1.036 48 HE22 GLN 5 2HE2 GLN 5 -9.836 5.269 0.366 49 H THR 6 H THR 6 -5.181 7.340 -2.543 50 HA THR 6 HA THR 6 -4.554 10.188 -2.713 51 HB THR 6 HB THR 6 -3.247 9.697 -4.854 52 HG1 THR 6 1HG THR 6 -3.857 7.482 -4.990 53 HG21 THR 6 3HG2 THR 6 -2.322 10.074 -2.358 54 HG22 THR 6 1HG2 THR 6 -1.291 9.859 -3.773 55 HG23 THR 6 2HG2 THR 6 -1.634 8.490 -2.717 56 H ALA 7 H ALA 7 -5.969 11.245 -3.975 57 HA ALA 7 HA ALA 7 -7.773 9.635 -5.656 58 HB1 ALA 7 1HB ALA 7 -8.191 12.284 -4.285 59 HB2 ALA 7 2HB ALA 7 -8.996 10.752 -3.951 60 HB3 ALA 7 3HB ALA 7 -9.317 11.603 -5.460 61 H ARG 8 H ARG 8 -8.217 10.225 -7.766 62 HA ARG 8 HA ARG 8 -6.263 12.042 -8.982 63 HB2 ARG 8 2HB ARG 8 -7.123 9.510 -9.694 64 HB3 ARG 8 1HB ARG 8 -7.995 10.549 -10.810 65 HG2 ARG 8 2HG ARG 8 -5.204 11.300 -10.595 66 HG3 ARG 8 1HG ARG 8 -5.405 9.618 -11.087 67 HD2 ARG 8 2HD ARG 8 -7.046 11.739 -12.399 68 HD3 ARG 8 1HD ARG 8 -5.360 11.538 -12.871 69 HE ARG 8 HE ARG 8 -6.377 9.019 -13.017 70 HH11 ARG 8 1HH1 ARG 8 -7.310 12.096 -14.410 71 HH12 ARG 8 2HH1 ARG 8 -8.002 11.384 -15.828 72 HH21 ARG 8 1HH2 ARG 8 -7.296 8.088 -14.897 73 HH22 ARG 8 2HH2 ARG 8 -7.995 9.113 -16.103 74 H LYS 9 H LYS 9 -8.488 13.175 -7.558 75 HA LYS 9 HA LYS 9 -10.369 14.089 -9.570 76 HB2 LYS 9 2HB LYS 9 -10.099 14.525 -6.605 77 HB3 LYS 9 1HB LYS 9 -11.201 15.501 -7.566 78 HG2 LYS 9 2HG LYS 9 -12.684 13.825 -7.816 79 HG3 LYS 9 1HG LYS 9 -11.431 12.589 -7.941 80 HD2 LYS 9 2HD LYS 9 -12.711 12.237 -5.924 81 HD3 LYS 9 1HD LYS 9 -11.077 12.749 -5.498 82 HE2 LYS 9 2HE LYS 9 -11.778 14.712 -4.616 83 HE3 LYS 9 1HE LYS 9 -13.063 14.910 -5.806 84 HZ1 LYS 9 3HZ LYS 9 -14.307 14.490 -3.974 85 HZ2 LYS 9 1HZ LYS 9 -13.118 13.555 -3.218 86 HZ3 LYS 9 2HZ LYS 9 -14.059 12.888 -4.454 87 H SER 10 H SER 10 -8.614 15.986 -7.112 88 HA SER 10 HA SER 10 -7.043 17.501 -8.858 89 HB2 SER 10 2HB SER 10 -9.647 18.210 -9.243 90 HB3 SER 10 1HB SER 10 -9.175 19.349 -7.983 91 HG SER 10 HG SER 10 -8.729 20.211 -10.025 92 H THR 11 H THR 11 -9.124 18.037 -6.002 93 HA THR 11 HA THR 11 -7.156 19.612 -4.649 94 HB THR 11 HB THR 11 -8.797 19.084 -2.652 95 HG1 THR 11 1HG THR 11 -10.524 18.024 -3.162 96 HG21 THR 11 3HG2 THR 11 -10.342 20.583 -4.605 97 HG22 THR 11 1HG2 THR 11 -8.673 21.127 -4.465 98 HG23 THR 11 2HG2 THR 11 -9.704 21.074 -3.035 99 H GLY 12 H GLY 12 -6.586 19.000 -2.292 100 HA2 GLY 12 2HA GLY 12 -5.681 16.185 -2.258 101 HA3 GLY 12 1HA GLY 12 -4.687 17.514 -1.688 102 H GLY 13 H GLY 13 -8.153 17.121 -1.065 103 HA2 GLY 13 2HA GLY 13 -9.155 16.252 0.895 104 HA3 GLY 13 1HA GLY 13 -7.586 16.289 1.685 105 H SER 14 H SER 14 -7.398 17.770 3.231 106 HA SER 14 HA SER 14 -8.687 20.376 2.885 107 HB2 SER 14 2HB SER 14 -9.154 18.436 5.129 108 HB3 SER 14 1HB SER 14 -9.252 20.171 5.435 109 HG SER 14 HG SER 14 -11.190 18.783 4.609 110 H SER 15 H SER 15 -6.974 21.683 2.832 111 HA SER 15 HA SER 15 -5.118 22.830 3.462 112 HB2 SER 15 2HB SER 15 -6.143 21.761 6.030 113 HB3 SER 15 1HB SER 15 -4.462 22.293 6.033 114 HG SER 15 HG SER 15 -5.328 24.195 6.295 115 H GLY 16 H GLY 16 -2.835 22.421 4.677 116 HA2 GLY 16 2HA GLY 16 -1.691 19.948 4.956 117 HA3 GLY 16 1HA GLY 16 -1.656 20.244 3.226 118 H SER 17 H SER 17 0.486 20.034 5.357 119 HA SER 17 HA SER 17 1.835 22.589 4.762 120 HB2 SER 17 2HB SER 17 1.285 22.355 7.171 121 HB3 SER 17 1HB SER 17 2.221 20.862 7.223 122 HG SER 17 HG SER 17 3.078 23.409 7.394 123 H SER 18 H SER 18 3.289 22.217 3.210 124 HA SER 18 HA SER 18 5.058 19.884 3.500 125 HB2 SER 18 2HB SER 18 5.024 19.478 1.127 126 HB3 SER 18 1HB SER 18 3.352 19.546 1.685 127 HG SER 18 HG SER 18 3.339 20.839 -0.046 128 H GLN 19 H GLN 19 7.187 20.130 2.708 129 HA GLN 19 HA GLN 19 8.010 22.865 2.025 130 HB2 GLN 19 2HB GLN 19 8.397 21.849 4.537 131 HB3 GLN 19 1HB GLN 19 9.903 21.405 3.745 132 HG2 GLN 19 2HG GLN 19 8.787 24.197 3.762 133 HG3 GLN 19 1HG GLN 19 9.932 23.589 4.955 134 HE21 GLN 19 1HE2 GLN 19 10.183 25.758 2.991 135 HE22 GLN 19 2HE2 GLN 19 11.580 25.377 2.050 136 H SER 20 H SER 20 9.431 19.614 2.523 137 HA SER 20 HA SER 20 10.116 19.301 -0.216 138 HB2 SER 20 2HB SER 20 12.133 20.482 1.609 139 HB3 SER 20 1HB SER 20 12.701 19.175 0.571 140 HG SER 20 HG SER 20 11.459 21.599 -0.226 141 H LEU 21 H LEU 21 9.792 17.202 -0.469 142 HA LEU 21 HA LEU 21 9.799 14.954 -0.185 143 HB2 LEU 21 2HB LEU 21 12.271 15.782 1.250 144 HB3 LEU 21 1HB LEU 21 11.697 14.144 1.493 145 HG LEU 21 HG LEU 21 11.722 13.867 -1.019 146 HD11 LEU 21 1HD1 LEU 21 13.091 16.537 -0.814 147 HD12 LEU 21 2HD1 LEU 21 11.701 16.094 -1.804 148 HD13 LEU 21 3HD1 LEU 21 13.299 15.455 -2.192 149 HD21 LEU 21 3HD2 LEU 21 14.118 14.216 0.707 150 HD22 LEU 21 1HD2 LEU 21 14.354 13.929 -1.016 151 HD23 LEU 21 2HD2 LEU 21 13.465 12.761 -0.042 152 H ILE 22 H ILE 22 7.829 14.677 0.789 153 HA ILE 22 HA ILE 22 7.872 14.339 3.718 154 HB ILE 22 HB ILE 22 5.449 15.023 3.722 155 HG12 ILE 22 2HG1 ILE 22 5.799 16.630 1.267 156 HG13 ILE 22 1HG1 ILE 22 5.629 14.888 0.995 157 HG21 ILE 22 1HG2 ILE 22 6.017 17.140 4.276 158 HG22 ILE 22 2HG2 ILE 22 6.924 17.406 2.788 159 HG23 ILE 22 3HG2 ILE 22 7.648 16.491 4.108 160 HD11 ILE 22 3HD1 ILE 22 3.571 16.639 1.222 161 HD12 ILE 22 1HD1 ILE 22 3.683 16.020 2.868 162 HD13 ILE 22 2HD1 ILE 22 3.457 14.904 1.522 163 H ASP 23 H ASP 23 6.600 12.659 4.569 164 HA ASP 23 HA ASP 23 5.633 10.601 4.645 165 HB2 ASP 23 2HB ASP 23 4.366 11.885 2.297 166 HB3 ASP 23 1HB ASP 23 4.234 10.134 2.365 167 H GLU 24 H GLU 24 5.272 8.516 3.092 168 HA GLU 24 HA GLU 24 7.740 8.131 1.537 169 HB2 GLU 24 2HB GLU 24 7.729 7.095 3.907 170 HB3 GLU 24 1HB GLU 24 6.577 5.942 3.242 171 HG2 GLU 24 2HG GLU 24 8.486 5.794 1.367 172 HG3 GLU 24 1HG GLU 24 9.474 6.226 2.760 173 H ASP 25 H ASP 25 6.452 8.510 -0.321 174 HA ASP 25 HA ASP 25 4.127 7.053 -0.965 175 HB2 ASP 25 2HB ASP 25 6.140 8.521 -2.673 176 HB3 ASP 25 1HB ASP 25 4.696 7.770 -3.343 177 H ALA 26 H ALA 26 3.841 5.352 -2.523 178 HA ALA 26 HA ALA 26 6.214 3.660 -2.951 179 HB1 ALA 26 1HB ALA 26 5.066 1.703 -2.278 180 HB2 ALA 26 2HB ALA 26 3.526 2.555 -2.169 181 HB3 ALA 26 3HB ALA 26 4.808 2.897 -1.007 182 H VAL 27 H VAL 27 5.572 1.745 -4.472 183 HA VAL 27 HA VAL 27 3.843 2.734 -6.640 184 HB VAL 27 HB VAL 27 5.471 1.719 -8.273 185 HG11 VAL 27 1HG1 VAL 27 6.490 4.027 -6.616 186 HG12 VAL 27 2HG1 VAL 27 5.320 4.133 -7.932 187 HG13 VAL 27 3HG1 VAL 27 6.981 3.641 -8.265 188 HG21 VAL 27 3HG2 VAL 27 7.876 1.654 -7.356 189 HG22 VAL 27 1HG2 VAL 27 6.820 0.280 -7.024 190 HG23 VAL 27 2HG2 VAL 27 7.117 1.486 -5.773 191 H CYS 28 H CYS 28 2.225 1.350 -6.915 192 HA CYS 28 HA CYS 28 2.132 -1.238 -5.859 193 HB2 CYS 28 2HB CYS 28 0.098 -0.052 -6.226 194 HB3 CYS 28 1HB CYS 28 0.443 0.126 -7.951 195 H SER 29 H SER 29 2.116 -3.284 -6.842 196 HA SER 29 HA SER 29 3.823 -3.464 -9.218 197 HB2 SER 29 2HB SER 29 4.428 -4.653 -7.059 198 HB3 SER 29 1HB SER 29 3.055 -5.717 -7.359 199 HG SER 29 HG SER 29 4.828 -6.699 -8.238 200 H ILE 30 H ILE 30 0.622 -4.423 -8.038 201 HA ILE 30 HA ILE 30 0.021 -6.204 -10.161 202 HB ILE 30 HB ILE 30 -1.698 -4.709 -8.191 203 HG12 ILE 30 2HG1 ILE 30 -2.244 -7.373 -7.938 204 HG13 ILE 30 1HG1 ILE 30 -0.557 -7.420 -8.469 205 HG21 ILE 30 1HG2 ILE 30 -3.030 -4.778 -10.197 206 HG22 ILE 30 2HG2 ILE 30 -3.643 -5.984 -9.064 207 HG23 ILE 30 3HG2 ILE 30 -2.655 -6.487 -10.434 208 HD11 ILE 30 3HD1 ILE 30 -0.567 -5.479 -6.509 209 HD12 ILE 30 1HD1 ILE 30 -0.036 -7.151 -6.329 210 HD13 ILE 30 2HD1 ILE 30 -1.684 -6.699 -5.898 211 H CYS 31 H CYS 31 -0.199 -2.724 -9.809 212 HA CYS 31 HA CYS 31 -0.994 -2.528 -12.621 213 HB2 CYS 31 2HB CYS 31 -2.765 -1.058 -12.202 214 HB3 CYS 31 1HB CYS 31 -2.922 -2.260 -10.914 215 H MET 32 H MET 32 -0.480 -0.468 -13.617 216 HA MET 32 HA MET 32 1.897 0.760 -12.404 217 HB2 MET 32 2HB MET 32 0.860 0.668 -15.239 218 HB3 MET 32 1HB MET 32 2.158 1.747 -14.754 219 HG2 MET 32 2HG MET 32 3.668 0.079 -14.564 220 HG3 MET 32 1HG MET 32 2.468 -1.102 -14.044 221 HE1 MET 32 3HE MET 32 0.495 -1.745 -15.670 222 HE2 MET 32 1HE MET 32 1.663 -3.063 -15.767 223 HE3 MET 32 2HE MET 32 0.921 -2.433 -17.237 224 H ASP 33 H ASP 33 -0.441 1.532 -11.208 225 HA ASP 33 HA ASP 33 -1.689 3.318 -10.583 226 HB2 ASP 33 2HB ASP 33 0.717 4.265 -10.559 227 HB3 ASP 33 1HB ASP 33 0.245 5.110 -12.039 228 H GLY 34 H GLY 34 -2.331 2.050 -13.132 229 HA2 GLY 34 2HA GLY 34 -3.500 4.360 -14.565 230 HA3 GLY 34 1HA GLY 34 -3.090 2.820 -15.329 231 H GLU 35 H GLU 35 -4.743 3.331 -12.236 232 HA GLU 35 HA GLU 35 -6.852 1.536 -13.032 233 HB2 GLU 35 2HB GLU 35 -6.520 3.136 -10.485 234 HB3 GLU 35 1HB GLU 35 -7.688 1.847 -10.743 235 HG2 GLU 35 2HG GLU 35 -4.777 1.295 -11.094 236 HG3 GLU 35 1HG GLU 35 -5.471 1.375 -9.475 237 H SER 36 H SER 36 -9.167 2.137 -12.527 238 HA SER 36 HA SER 36 -9.745 4.743 -13.748 239 HB2 SER 36 2HB SER 36 -11.616 2.394 -13.376 240 HB3 SER 36 1HB SER 36 -11.904 3.833 -14.354 241 HG SER 36 HG SER 36 -10.265 1.629 -14.855 242 H GLN 37 H GLN 37 -9.947 3.105 -10.729 243 HA GLN 37 HA GLN 37 -12.213 4.279 -9.585 244 HB2 GLN 37 2HB GLN 37 -10.103 2.609 -8.726 245 HB3 GLN 37 1HB GLN 37 -10.131 3.983 -7.616 246 HG2 GLN 37 2HG GLN 37 -12.569 2.360 -8.300 247 HG3 GLN 37 1HG GLN 37 -11.504 1.994 -6.946 248 HE21 GLN 37 1HE2 GLN 37 -11.348 3.503 -5.227 249 HE22 GLN 37 2HE2 GLN 37 -12.623 4.629 -4.925 250 H ASN 38 H ASN 38 -12.450 6.019 -8.110 251 HA ASN 38 HA ASN 38 -11.003 8.373 -8.867 252 HB2 ASN 38 2HB ASN 38 -13.452 7.762 -7.441 253 HB3 ASN 38 1HB ASN 38 -12.526 8.996 -6.595 254 HD21 ASN 38 1HD2 ASN 38 -14.984 8.721 -8.578 255 HD22 ASN 38 2HD2 ASN 38 -14.783 10.122 -9.570 256 H SER 39 H SER 39 -11.032 6.248 -6.030 257 HA SER 39 HA SER 39 -8.577 7.561 -5.098 258 HB2 SER 39 2HB SER 39 -10.650 8.406 -3.848 259 HB3 SER 39 1HB SER 39 -10.746 6.786 -3.148 260 HG SER 39 HG SER 39 -8.358 7.301 -2.657 261 H ASN 40 H ASN 40 -7.027 6.113 -4.795 262 HA ASN 40 HA ASN 40 -7.786 3.332 -4.166 263 HB2 ASN 40 2HB ASN 40 -5.550 2.738 -5.239 264 HB3 ASN 40 1HB ASN 40 -6.815 3.290 -6.329 265 HD21 ASN 40 1HD2 ASN 40 -3.938 4.347 -4.566 266 HD22 ASN 40 2HD2 ASN 40 -3.491 5.581 -5.689 267 H VAL 41 H VAL 41 -6.332 2.115 -2.815 268 HA VAL 41 HA VAL 41 -4.637 3.789 -1.082 269 HB VAL 41 HB VAL 41 -5.255 2.226 0.812 270 HG11 VAL 41 1HG1 VAL 41 -7.782 3.555 0.143 271 HG12 VAL 41 2HG1 VAL 41 -6.353 4.578 0.013 272 HG13 VAL 41 3HG1 VAL 41 -6.718 3.764 1.534 273 HG21 VAL 41 3HG2 VAL 41 -7.532 1.168 0.575 274 HG22 VAL 41 1HG2 VAL 41 -6.229 0.386 -0.321 275 HG23 VAL 41 2HG2 VAL 41 -7.381 1.422 -1.163 276 H ILE 42 H ILE 42 -2.584 3.192 -1.261 277 HA ILE 42 HA ILE 42 -1.908 0.506 -2.148 278 HB ILE 42 HB ILE 42 -0.766 2.661 -2.968 279 HG12 ILE 42 2HG1 ILE 42 1.490 0.997 -2.194 280 HG13 ILE 42 1HG1 ILE 42 0.116 0.019 -2.726 281 HG21 ILE 42 1HG2 ILE 42 1.206 2.422 -0.800 282 HG22 ILE 42 2HG2 ILE 42 -0.331 3.161 -0.353 283 HG23 ILE 42 3HG2 ILE 42 0.627 3.846 -1.664 284 HD11 ILE 42 3HD1 ILE 42 1.711 2.031 -4.250 285 HD12 ILE 42 1HD1 ILE 42 0.065 1.634 -4.743 286 HD13 ILE 42 2HD1 ILE 42 1.293 0.371 -4.675 287 H LEU 43 H LEU 43 -0.298 -0.802 -0.982 288 HA LEU 43 HA LEU 43 -0.253 -0.267 1.905 289 HB2 LEU 43 2HB LEU 43 -0.933 -2.874 0.552 290 HB3 LEU 43 1HB LEU 43 -0.546 -2.733 2.257 291 HG LEU 43 HG LEU 43 -2.873 -1.402 0.883 292 HD11 LEU 43 1HD1 LEU 43 -3.314 -3.727 1.011 293 HD12 LEU 43 2HD1 LEU 43 -4.197 -2.957 2.331 294 HD13 LEU 43 3HD1 LEU 43 -2.690 -3.818 2.658 295 HD21 LEU 43 3HD2 LEU 43 -2.167 -0.025 2.683 296 HD22 LEU 43 1HD2 LEU 43 -1.955 -1.414 3.745 297 HD23 LEU 43 2HD2 LEU 43 -3.573 -0.929 3.240 298 H PHE 44 H PHE 44 1.695 -0.314 2.728 299 HA PHE 44 HA PHE 44 3.845 -1.644 1.216 300 HB2 PHE 44 2HB PHE 44 3.699 0.949 2.065 301 HB3 PHE 44 1HB PHE 44 4.584 0.204 3.392 302 HD1 PHE 44 1HD PHE 44 4.570 0.431 -0.321 303 HD2 PHE 44 2HD PHE 44 6.873 -0.045 3.228 304 HE1 PHE 44 1HE PHE 44 6.644 0.560 -1.647 305 HE2 PHE 44 2HE PHE 44 8.944 0.083 1.909 306 HZ PHE 44 HZ PHE 44 8.832 0.387 -0.531 307 H CYS 45 H CYS 45 5.011 -3.280 2.143 308 HA CYS 45 HA CYS 45 3.996 -4.494 4.494 309 HB2 CYS 45 2HB CYS 45 5.286 -5.599 2.556 310 HB3 CYS 45 1HB CYS 45 6.743 -5.073 3.411 311 H ASP 46 H ASP 46 4.980 -4.799 6.546 312 HA ASP 46 HA ASP 46 6.372 -2.432 7.461 313 HB2 ASP 46 2HB ASP 46 4.856 -4.630 8.751 314 HB3 ASP 46 1HB ASP 46 6.119 -3.855 9.717 315 H MET 47 H MET 47 7.316 -5.534 6.414 316 HA MET 47 HA MET 47 9.976 -5.081 7.587 317 HB2 MET 47 2HB MET 47 8.491 -7.053 8.564 318 HB3 MET 47 1HB MET 47 9.041 -7.885 7.110 319 HG2 MET 47 2HG MET 47 10.793 -8.489 8.344 320 HG3 MET 47 1HG MET 47 11.366 -6.845 8.075 321 HE1 MET 47 3HE MET 47 9.786 -9.384 10.060 322 HE2 MET 47 1HE MET 47 9.000 -8.569 11.411 323 HE3 MET 47 2HE MET 47 10.664 -9.131 11.567 324 H CYS 48 H CYS 48 8.368 -4.787 4.927 325 HA CYS 48 HA CYS 48 10.549 -5.580 3.197 326 HB2 CYS 48 2HB CYS 48 7.706 -6.438 2.621 327 HB3 CYS 48 1HB CYS 48 9.156 -6.839 1.712 328 H ASN 49 H ASN 49 9.581 -5.031 0.783 329 HA ASN 49 HA ASN 49 8.583 -2.272 0.965 330 HB2 ASN 49 2HB ASN 49 9.715 -1.899 -1.224 331 HB3 ASN 49 1HB ASN 49 10.831 -2.319 0.084 332 HD21 ASN 49 1HD2 ASN 49 9.551 -3.212 -2.975 333 HD22 ASN 49 2HD2 ASN 49 10.508 -4.630 -3.209 334 H LEU 50 H LEU 50 7.152 -5.002 0.642 335 HA LEU 50 HA LEU 50 6.043 -5.129 -1.933 336 HB2 LEU 50 2HB LEU 50 5.920 -6.983 -0.334 337 HB3 LEU 50 1HB LEU 50 4.855 -6.030 0.699 338 HG LEU 50 HG LEU 50 3.297 -5.959 -1.382 339 HD11 LEU 50 1HD1 LEU 50 5.354 -7.925 -2.181 340 HD12 LEU 50 2HD1 LEU 50 4.340 -6.868 -3.166 341 HD13 LEU 50 3HD1 LEU 50 3.674 -8.357 -2.497 342 HD21 LEU 50 3HD2 LEU 50 2.111 -7.793 -0.556 343 HD22 LEU 50 1HD2 LEU 50 3.043 -7.226 0.829 344 HD23 LEU 50 2HD2 LEU 50 3.578 -8.644 -0.074 345 H ALA 51 H ALA 51 5.298 -3.225 -2.732 346 HA ALA 51 HA ALA 51 3.232 -1.805 -1.206 347 HB1 ALA 51 1HB ALA 51 5.419 -0.765 -2.396 348 HB2 ALA 51 2HB ALA 51 3.925 0.131 -2.124 349 HB3 ALA 51 3HB ALA 51 4.240 -0.597 -3.698 350 H VAL 52 H VAL 52 1.275 -2.706 -1.686 351 HA VAL 52 HA VAL 52 0.444 -2.652 -4.490 352 HB VAL 52 HB VAL 52 -0.666 -4.916 -4.212 353 HG11 VAL 52 1HG1 VAL 52 1.460 -6.165 -4.694 354 HG12 VAL 52 2HG1 VAL 52 2.331 -4.675 -4.338 355 HG13 VAL 52 3HG1 VAL 52 1.189 -4.729 -5.680 356 HG21 VAL 52 3HG2 VAL 52 1.316 -5.179 -1.950 357 HG22 VAL 52 1HG2 VAL 52 0.299 -6.463 -2.600 358 HG23 VAL 52 2HG2 VAL 52 -0.437 -5.091 -1.774 359 H HIS 53 H HIS 53 -1.640 -1.998 -4.754 360 HA HIS 53 HA HIS 53 -3.090 -0.960 -2.572 361 HB2 HIS 53 2HB HIS 53 -4.236 -1.783 -5.255 362 HB3 HIS 53 1HB HIS 53 -4.960 -0.668 -4.108 363 HD2 HIS 53 2HD HIS 53 -3.434 1.792 -3.806 364 HE1 HIS 53 1HE HIS 53 -1.817 1.378 -7.695 365 HE2 HIS 53 2HE HIS 53 -2.056 2.918 -5.693 366 H GLN 54 H GLN 54 -4.774 -1.770 -1.332 367 HA GLN 54 HA GLN 54 -4.890 -4.557 -0.910 368 HB2 GLN 54 2HB GLN 54 -6.950 -4.022 0.466 369 HB3 GLN 54 1HB GLN 54 -5.472 -3.194 0.931 370 HG2 GLN 54 2HG GLN 54 -6.495 -1.247 0.758 371 HG3 GLN 54 1HG GLN 54 -6.837 -1.563 -0.952 372 HE21 GLN 54 1HE2 GLN 54 -8.024 -2.359 2.302 373 HE22 GLN 54 2HE2 GLN 54 -9.697 -2.351 1.877 374 H GLU 55 H GLU 55 -6.444 -2.597 -3.240 375 HA GLU 55 HA GLU 55 -8.627 -4.469 -3.726 376 HB2 GLU 55 2HB GLU 55 -9.126 -2.844 -5.635 377 HB3 GLU 55 1HB GLU 55 -9.310 -2.217 -4.004 378 HG2 GLU 55 2HG GLU 55 -7.391 -0.906 -4.158 379 HG3 GLU 55 1HG GLU 55 -6.751 -1.829 -5.514 380 H CYS 56 H CYS 56 -5.505 -3.586 -4.873 381 HA CYS 56 HA CYS 56 -5.623 -4.914 -7.396 382 HB2 CYS 56 2HB CYS 56 -3.820 -3.202 -5.933 383 HB3 CYS 56 1HB CYS 56 -2.957 -4.571 -6.572 384 H TYR 57 H TYR 57 -4.402 -5.632 -4.158 385 HA TYR 57 HA TYR 57 -3.338 -8.185 -4.976 386 HB2 TYR 57 2HB TYR 57 -2.455 -6.560 -3.121 387 HB3 TYR 57 1HB TYR 57 -3.644 -7.371 -2.110 388 HD1 TYR 57 2HD TYR 57 -0.528 -7.780 -4.009 389 HD2 TYR 57 1HD TYR 57 -3.326 -9.666 -1.416 390 HE1 TYR 57 2HE TYR 57 1.074 -9.601 -3.613 391 HE2 TYR 57 1HE TYR 57 -1.729 -11.492 -1.013 392 HH TYR 57 HH TYR 57 1.502 -11.307 -1.758 393 H GLY 58 H GLY 58 -6.125 -6.980 -3.168 394 HA2 GLY 58 2HA GLY 58 -8.222 -8.178 -3.291 395 HA3 GLY 58 1HA GLY 58 -7.303 -9.683 -3.340 396 H VAL 59 H VAL 59 -6.693 -6.998 -1.123 397 HA VAL 59 HA VAL 59 -6.895 -8.778 1.136 398 HB VAL 59 HB VAL 59 -6.452 -5.788 1.159 399 HG11 VAL 59 1HG1 VAL 59 -5.733 -6.002 3.354 400 HG12 VAL 59 2HG1 VAL 59 -5.475 -7.740 3.207 401 HG13 VAL 59 3HG1 VAL 59 -7.115 -7.095 3.285 402 HG21 VAL 59 3HG2 VAL 59 -4.030 -6.398 1.374 403 HG22 VAL 59 1HG2 VAL 59 -4.732 -6.722 -0.210 404 HG23 VAL 59 2HG2 VAL 59 -4.469 -8.046 0.925 405 HA PRO 60 HA PRO 60 -11.214 -8.002 1.868 406 HB2 PRO 60 2HB PRO 60 -11.321 -8.912 4.448 407 HB3 PRO 60 1HB PRO 60 -11.310 -9.968 3.027 408 HG2 PRO 60 2HG PRO 60 -9.053 -9.198 4.837 409 HG3 PRO 60 1HG PRO 60 -9.443 -10.782 4.140 410 HD2 PRO 60 2HD PRO 60 -7.507 -9.204 3.123 411 HD3 PRO 60 1HD PRO 60 -8.505 -10.253 2.096 412 H TYR 61 H TYR 61 -8.949 -7.080 4.481 413 HA TYR 61 HA TYR 61 -10.168 -4.447 4.599 414 HB2 TYR 61 2HB TYR 61 -10.623 -4.526 6.995 415 HB3 TYR 61 1HB TYR 61 -11.524 -5.806 6.174 416 HD1 TYR 61 1HD TYR 61 -10.352 -8.134 6.116 417 HD2 TYR 61 2HD TYR 61 -9.374 -5.067 8.890 418 HE1 TYR 61 1HE TYR 61 -9.373 -9.819 7.613 419 HE2 TYR 61 2HE TYR 61 -8.388 -6.740 10.400 420 HH TYR 61 HH TYR 61 -8.911 -10.008 10.129 421 H ILE 62 H ILE 62 -8.987 -3.310 6.683 422 HA ILE 62 HA ILE 62 -6.115 -3.866 6.326 423 HB ILE 62 HB ILE 62 -7.347 -1.156 6.844 424 HG12 ILE 62 2HG1 ILE 62 -5.965 -1.942 4.297 425 HG13 ILE 62 1HG1 ILE 62 -7.671 -2.312 4.517 426 HG21 ILE 62 1HG2 ILE 62 -5.051 -0.358 6.262 427 HG22 ILE 62 2HG2 ILE 62 -4.515 -2.037 6.302 428 HG23 ILE 62 3HG2 ILE 62 -5.142 -1.277 7.764 429 HD11 ILE 62 3HD1 ILE 62 -7.224 -0.199 3.300 430 HD12 ILE 62 1HD1 ILE 62 -6.502 0.445 4.775 431 HD13 ILE 62 2HD1 ILE 62 -8.209 0.001 4.750 432 HA PRO 63 HA PRO 63 -6.642 -4.785 10.749 433 HB2 PRO 63 2HB PRO 63 -3.734 -5.312 10.384 434 HB3 PRO 63 1HB PRO 63 -4.984 -6.327 11.133 435 HG2 PRO 63 2HG PRO 63 -4.022 -6.914 8.720 436 HG3 PRO 63 1HG PRO 63 -5.744 -7.120 9.090 437 HD2 PRO 63 2HD PRO 63 -4.382 -4.958 7.535 438 HD3 PRO 63 1HD PRO 63 -5.940 -5.754 7.234 439 H GLU 64 H GLU 64 -5.819 -3.847 12.685 440 HA GLU 64 HA GLU 64 -4.644 -1.201 12.282 441 HB2 GLU 64 2HB GLU 64 -6.801 -1.834 13.689 442 HB3 GLU 64 1HB GLU 64 -5.611 -2.148 14.946 443 HG2 GLU 64 2HG GLU 64 -5.161 0.030 15.255 444 HG3 GLU 64 1HG GLU 64 -5.313 0.419 13.542 445 H GLY 65 H GLY 65 -2.985 -3.621 12.132 446 HA2 GLY 65 2HA GLY 65 -1.113 -2.946 14.299 447 HA3 GLY 65 1HA GLY 65 -1.453 -4.624 13.910 448 H GLN 66 H GLN 66 0.449 -5.341 13.106 449 HA GLN 66 HA GLN 66 1.888 -3.725 11.146 450 HB2 GLN 66 2HB GLN 66 2.550 -6.119 12.807 451 HB3 GLN 66 1HB GLN 66 3.439 -5.869 11.310 452 HG2 GLN 66 2HG GLN 66 4.716 -4.904 13.042 453 HG3 GLN 66 1HG GLN 66 4.000 -3.572 12.135 454 HE21 GLN 66 1HE2 GLN 66 2.833 -2.102 13.206 455 HE22 GLN 66 2HE2 GLN 66 2.354 -2.227 14.861 456 H TRP 67 H TRP 67 2.505 -4.549 9.080 457 HA TRP 67 HA TRP 67 0.695 -6.645 8.075 458 HB2 TRP 67 2HB TRP 67 0.349 -4.274 7.200 459 HB3 TRP 67 1HB TRP 67 1.900 -4.453 6.383 460 HD1 TRP 67 HD TRP 67 -1.006 -7.016 6.625 461 HE1 TRP 67 1HE TRP 67 -1.670 -7.692 4.237 462 HE3 TRP 67 3HE TRP 67 2.108 -3.921 4.006 463 HZ2 TRP 67 2HZ TRP 67 -0.975 -7.003 1.586 464 HZ3 TRP 67 3HZ TRP 67 2.047 -3.993 1.548 465 HH2 TRP 67 HH TRP 67 0.537 -5.502 0.364 466 H LEU 68 H LEU 68 1.777 -8.475 7.806 467 HA LEU 68 HA LEU 68 4.507 -8.365 6.686 468 HB2 LEU 68 2HB LEU 68 3.247 -10.388 8.542 469 HB3 LEU 68 1HB LEU 68 4.720 -10.711 7.653 470 HG LEU 68 HG LEU 68 4.980 -10.021 10.080 471 HD11 LEU 68 1HD1 LEU 68 6.950 -8.628 9.609 472 HD12 LEU 68 2HD1 LEU 68 6.401 -8.443 7.944 473 HD13 LEU 68 3HD1 LEU 68 6.848 -10.037 8.554 474 HD21 LEU 68 3HD2 LEU 68 3.264 -8.133 9.810 475 HD22 LEU 68 1HD2 LEU 68 4.589 -7.220 9.091 476 HD23 LEU 68 2HD2 LEU 68 4.721 -7.804 10.748 477 H CYS 69 H CYS 69 4.412 -8.831 4.569 478 HA CYS 69 HA CYS 69 2.293 -10.139 3.290 479 HB2 CYS 69 2HB CYS 69 3.708 -10.189 1.304 480 HB3 CYS 69 1HB CYS 69 3.860 -8.629 2.120 481 H ARG 70 H ARG 70 2.426 -12.177 2.067 482 HA ARG 70 HA ARG 70 2.688 -14.377 3.655 483 HB2 ARG 70 2HB ARG 70 1.752 -14.008 1.197 484 HB3 ARG 70 1HB ARG 70 3.282 -14.763 0.769 485 HG2 ARG 70 2HG ARG 70 2.623 -16.594 2.437 486 HG3 ARG 70 1HG ARG 70 1.002 -15.903 2.345 487 HD2 ARG 70 2HD ARG 70 0.888 -17.506 0.705 488 HD3 ARG 70 1HD ARG 70 1.385 -16.100 -0.232 489 HE ARG 70 HE ARG 70 3.438 -17.078 -0.588 490 HH11 ARG 70 1HH1 ARG 70 1.681 -18.928 1.820 491 HH12 ARG 70 2HH1 ARG 70 2.769 -20.273 1.757 492 HH21 ARG 70 1HH2 ARG 70 4.871 -18.856 -0.657 493 HH22 ARG 70 2HH2 ARG 70 4.578 -20.233 0.352 494 H HIS 71 H HIS 71 5.322 -12.854 1.863 495 HA HIS 71 HA HIS 71 7.069 -15.100 2.028 496 HB2 HIS 71 2HB HIS 71 7.243 -13.238 0.345 497 HB3 HIS 71 1HB HIS 71 7.833 -12.203 1.641 498 HD1 HIS 71 1HD HIS 71 10.271 -12.353 2.213 499 HD2 HIS 71 2HD HIS 71 9.028 -15.412 -0.310 500 HE1 HIS 71 1HE HIS 71 12.376 -13.518 1.482 501 HE2 HIS 71 2HE HIS 71 11.605 -15.309 -0.114 502 H CYS 72 H CYS 72 6.774 -12.084 3.885 503 HA CYS 72 HA CYS 72 8.880 -12.904 5.668 504 HB2 CYS 72 2HB CYS 72 8.426 -10.822 6.831 505 HB3 CYS 72 1HB CYS 72 8.637 -10.580 5.089 506 H LEU 73 H LEU 73 5.332 -12.583 5.881 507 HA LEU 73 HA LEU 73 5.115 -13.240 8.600 508 HB2 LEU 73 2HB LEU 73 2.816 -13.704 8.219 509 HB3 LEU 73 1HB LEU 73 3.255 -12.356 7.191 510 HG LEU 73 HG LEU 73 3.524 -14.126 5.326 511 HD11 LEU 73 1HD1 LEU 73 1.660 -15.946 5.900 512 HD12 LEU 73 2HD1 LEU 73 2.324 -15.713 7.516 513 HD13 LEU 73 3HD1 LEU 73 3.376 -16.212 6.193 514 HD21 LEU 73 3HD2 LEU 73 0.848 -14.194 5.260 515 HD22 LEU 73 1HD2 LEU 73 1.783 -12.750 4.877 516 HD23 LEU 73 2HD2 LEU 73 1.074 -12.941 6.479 517 H GLN 74 H GLN 74 5.845 -15.168 5.815 518 HA GLN 74 HA GLN 74 5.232 -17.690 7.098 519 HB2 GLN 74 2HB GLN 74 6.343 -16.852 4.470 520 HB3 GLN 74 1HB GLN 74 6.778 -18.451 5.054 521 HG2 GLN 74 2HG GLN 74 3.938 -17.899 5.312 522 HG3 GLN 74 1HG GLN 74 4.510 -17.800 3.650 523 HE21 GLN 74 1HE2 GLN 74 5.237 -19.636 2.619 524 HE22 GLN 74 2HE2 GLN 74 5.029 -21.223 3.272 525 H SER 75 H SER 75 8.123 -15.758 6.393 526 HA SER 75 HA SER 75 10.082 -17.546 7.266 527 HB2 SER 75 2HB SER 75 9.955 -14.531 7.276 528 HB3 SER 75 1HB SER 75 11.376 -15.400 7.853 529 HG SER 75 HG SER 75 11.536 -16.366 5.794 530 H ARG 76 H ARG 76 7.989 -15.372 9.102 531 HA ARG 76 HA ARG 76 9.290 -16.059 11.614 532 HB2 ARG 76 2HB ARG 76 7.992 -13.795 10.734 533 HB3 ARG 76 1HB ARG 76 6.793 -14.541 11.780 534 HG2 ARG 76 2HG ARG 76 7.982 -13.111 13.183 535 HG3 ARG 76 1HG ARG 76 8.656 -14.707 13.513 536 HD2 ARG 76 2HD ARG 76 10.676 -14.177 12.652 537 HD3 ARG 76 1HD ARG 76 9.981 -13.194 11.364 538 HE ARG 76 HE ARG 76 9.782 -12.002 13.976 539 HH11 ARG 76 1HH1 ARG 76 11.830 -12.380 11.153 540 HH12 ARG 76 2HH1 ARG 76 12.722 -10.927 11.458 541 HH21 ARG 76 1HH2 ARG 76 10.965 -10.092 14.365 542 HH22 ARG 76 2HH2 ARG 76 12.231 -9.630 13.278 543 H ALA 77 H ALA 77 6.441 -16.961 9.795 544 HA ALA 77 HA ALA 77 5.140 -18.231 12.050 545 HB1 ALA 77 1HB ALA 77 3.452 -18.934 10.436 546 HB2 ALA 77 2HB ALA 77 4.459 -18.344 9.114 547 HB3 ALA 77 3HB ALA 77 3.793 -17.210 10.288 548 H ARG 78 H ARG 78 7.594 -19.130 9.858 549 HA ARG 78 HA ARG 78 7.145 -21.790 9.319 550 HB2 ARG 78 2HB ARG 78 9.265 -20.049 9.016 551 HB3 ARG 78 1HB ARG 78 9.916 -21.274 10.095 552 HG2 ARG 78 2HG ARG 78 9.569 -22.992 8.535 553 HG3 ARG 78 1HG ARG 78 8.501 -21.991 7.549 554 HD2 ARG 78 2HD ARG 78 10.911 -22.389 6.735 555 HD3 ARG 78 1HD ARG 78 10.264 -20.753 6.674 556 HE ARG 78 HE ARG 78 11.857 -20.113 8.178 557 HH11 ARG 78 1HH1 ARG 78 11.564 -23.601 8.319 558 HH12 ARG 78 2HH1 ARG 78 12.920 -23.797 9.378 559 HH21 ARG 78 1HH2 ARG 78 13.648 -20.379 9.575 560 HH22 ARG 78 2HH2 ARG 78 14.102 -21.968 10.091 561 HA PRO 79 HA PRO 79 9.376 -22.877 13.614 562 HB2 PRO 79 2HB PRO 79 8.324 -20.519 15.103 563 HB3 PRO 79 1HB PRO 79 9.862 -21.371 15.283 564 HG2 PRO 79 2HG PRO 79 9.761 -19.001 14.080 565 HG3 PRO 79 1HG PRO 79 10.826 -20.284 13.473 566 HD2 PRO 79 2HD PRO 79 8.212 -19.323 12.402 567 HD3 PRO 79 1HD PRO 79 9.654 -19.877 11.528 568 H ALA 80 H ALA 80 8.161 -24.456 14.444 569 HA ALA 80 HA ALA 80 5.480 -23.840 15.459 570 HB1 ALA 80 1HB ALA 80 6.152 -25.690 13.243 571 HB2 ALA 80 2HB ALA 80 4.703 -24.722 13.516 572 HB3 ALA 80 3HB ALA 80 4.936 -26.230 14.402 Start of MODEL 18 1 H1 ALA 1 1HT ALA 1 -3.134 -2.249 9.003 2 H2 ALA 1 2HT ALA 1 -1.620 -2.490 9.775 3 H3 ALA 1 3HT ALA 1 -2.524 -3.837 9.217 4 HA ALA 1 HA ALA 1 -0.605 -3.180 7.840 5 HB1 ALA 1 2HB ALA 1 -1.793 -3.540 5.753 6 HB2 ALA 1 3HB ALA 1 -3.323 -3.134 6.532 7 HB3 ALA 1 1HB ALA 1 -2.442 -4.584 7.017 8 H ARG 2 H ARG 2 0.541 -1.503 7.173 9 HA ARG 2 HA ARG 2 -0.418 1.159 7.301 10 HB2 ARG 2 2HB ARG 2 2.106 -0.166 6.463 11 HB3 ARG 2 1HB ARG 2 1.821 1.458 5.853 12 HG2 ARG 2 2HG ARG 2 1.697 2.353 8.059 13 HG3 ARG 2 1HG ARG 2 1.692 0.739 8.774 14 HD2 ARG 2 2HD ARG 2 3.949 2.148 7.374 15 HD3 ARG 2 1HD ARG 2 3.886 1.596 9.046 16 HE ARG 2 HE ARG 2 3.636 -0.712 7.758 17 HH11 ARG 2 1HH1 ARG 2 5.875 1.931 7.241 18 HH12 ARG 2 2HH1 ARG 2 7.091 0.922 6.535 19 HH21 ARG 2 1HH2 ARG 2 5.227 -2.029 6.825 20 HH22 ARG 2 2HH2 ARG 2 6.722 -1.333 6.294 21 H THR 3 H THR 3 -1.467 2.356 5.850 22 HA THR 3 HA THR 3 -1.340 1.610 3.011 23 HB THR 3 HB THR 3 -3.935 2.560 4.167 24 HG1 THR 3 1HG THR 3 -3.632 0.827 5.456 25 HG21 THR 3 3HG2 THR 3 -4.864 1.077 2.410 26 HG22 THR 3 1HG2 THR 3 -3.217 0.782 1.854 27 HG23 THR 3 2HG2 THR 3 -3.891 2.411 1.794 28 H LYS 4 H LYS 4 -1.334 3.293 1.577 29 HA LYS 4 HA LYS 4 -1.442 6.006 2.728 30 HB2 LYS 4 2HB LYS 4 0.600 4.714 1.150 31 HB3 LYS 4 1HB LYS 4 -0.030 6.109 0.286 32 HG2 LYS 4 2HG LYS 4 1.062 6.145 3.095 33 HG3 LYS 4 1HG LYS 4 1.924 6.668 1.647 34 HD2 LYS 4 2HD LYS 4 -0.728 7.870 2.368 35 HD3 LYS 4 1HD LYS 4 0.757 8.446 3.127 36 HE2 LYS 4 2HE LYS 4 0.823 8.193 0.187 37 HE3 LYS 4 1HE LYS 4 -0.248 9.439 0.826 38 HZ1 LYS 4 3HZ LYS 4 2.431 9.341 1.963 39 HZ2 LYS 4 1HZ LYS 4 1.476 10.680 1.545 40 HZ3 LYS 4 2HZ LYS 4 2.327 9.839 0.347 41 H GLN 5 H GLN 5 -2.726 7.498 1.760 42 HA GLN 5 HA GLN 5 -4.296 6.583 -0.554 43 HB2 GLN 5 2HB GLN 5 -5.527 7.053 1.578 44 HB3 GLN 5 1HB GLN 5 -5.029 8.734 1.440 45 HG2 GLN 5 2HG GLN 5 -6.603 9.197 -0.061 46 HG3 GLN 5 1HG GLN 5 -6.297 7.724 -0.978 47 HE21 GLN 5 1HE2 GLN 5 -8.845 8.756 -0.576 48 HE22 GLN 5 2HE2 GLN 5 -9.741 7.662 0.417 49 H THR 6 H THR 6 -4.022 7.575 -2.429 50 HA THR 6 HA THR 6 -2.885 10.291 -2.442 51 HB THR 6 HB THR 6 -1.549 9.756 -4.367 52 HG1 THR 6 1HG THR 6 -3.175 7.520 -4.485 53 HG21 THR 6 3HG2 THR 6 -0.307 9.141 -2.506 54 HG22 THR 6 1HG2 THR 6 -0.226 7.731 -3.563 55 HG23 THR 6 2HG2 THR 6 -1.320 7.733 -2.178 56 H ALA 7 H ALA 7 -4.076 11.759 -3.473 57 HA ALA 7 HA ALA 7 -6.210 10.810 -5.266 58 HB1 ALA 7 1HB ALA 7 -6.350 13.555 -4.182 59 HB2 ALA 7 2HB ALA 7 -6.544 12.242 -3.020 60 HB3 ALA 7 3HB ALA 7 -7.624 12.355 -4.411 61 H ARG 8 H ARG 8 -5.465 10.923 -7.297 62 HA ARG 8 HA ARG 8 -4.753 11.773 -9.277 63 HB2 ARG 8 2HB ARG 8 -5.639 14.185 -7.803 64 HB3 ARG 8 1HB ARG 8 -4.572 14.474 -9.169 65 HG2 ARG 8 2HG ARG 8 -6.916 12.682 -9.547 66 HG3 ARG 8 1HG ARG 8 -7.182 14.422 -9.453 67 HD2 ARG 8 2HD ARG 8 -5.338 13.008 -11.376 68 HD3 ARG 8 1HD ARG 8 -6.921 13.679 -11.764 69 HE ARG 8 HE ARG 8 -5.484 15.775 -10.724 70 HH11 ARG 8 1HH1 ARG 8 -5.116 13.578 -13.426 71 HH12 ARG 8 2HH1 ARG 8 -4.234 14.716 -14.389 72 HH21 ARG 8 1HH2 ARG 8 -4.319 17.268 -11.998 73 HH22 ARG 8 2HH2 ARG 8 -3.782 16.809 -13.579 74 H LYS 9 H LYS 9 -2.981 13.419 -10.212 75 HA LYS 9 HA LYS 9 -0.524 12.667 -8.881 76 HB2 LYS 9 2HB LYS 9 -0.749 12.506 -11.341 77 HB3 LYS 9 1HB LYS 9 -0.930 14.251 -11.426 78 HG2 LYS 9 2HG LYS 9 1.404 14.077 -10.081 79 HG3 LYS 9 1HG LYS 9 1.485 12.613 -11.062 80 HD2 LYS 9 2HD LYS 9 2.493 14.273 -12.381 81 HD3 LYS 9 1HD LYS 9 0.865 14.101 -13.039 82 HE2 LYS 9 2HE LYS 9 0.595 16.029 -11.064 83 HE3 LYS 9 1HE LYS 9 2.146 16.403 -11.815 84 HZ1 LYS 9 3HZ LYS 9 1.165 16.818 -13.839 85 HZ2 LYS 9 1HZ LYS 9 -0.021 17.398 -12.780 86 HZ3 LYS 9 2HZ LYS 9 -0.206 15.884 -13.510 87 H SER 10 H SER 10 -0.040 13.857 -7.131 88 HA SER 10 HA SER 10 0.038 16.783 -7.462 89 HB2 SER 10 2HB SER 10 -1.733 15.657 -5.839 90 HB3 SER 10 1HB SER 10 -0.351 15.610 -4.744 91 HG SER 10 HG SER 10 -0.151 17.855 -4.989 92 H THR 11 H THR 11 2.052 14.343 -7.485 93 HA THR 11 HA THR 11 4.115 13.810 -6.648 94 HB THR 11 HB THR 11 4.578 15.507 -8.339 95 HG1 THR 11 1HG THR 11 6.262 15.860 -6.087 96 HG21 THR 11 3HG2 THR 11 3.457 17.457 -7.620 97 HG22 THR 11 1HG2 THR 11 5.181 17.824 -7.606 98 HG23 THR 11 2HG2 THR 11 4.341 17.487 -6.095 99 H GLY 12 H GLY 12 2.628 13.737 -4.480 100 HA2 GLY 12 2HA GLY 12 3.217 13.583 -2.198 101 HA3 GLY 12 1HA GLY 12 4.383 14.875 -2.436 102 H GLY 13 H GLY 13 1.295 14.078 -1.268 103 HA2 GLY 13 2HA GLY 13 0.837 16.496 -0.015 104 HA3 GLY 13 1HA GLY 13 0.030 16.622 -1.568 105 H SER 14 H SER 14 -2.030 16.034 -1.613 106 HA SER 14 HA SER 14 -4.067 15.295 -0.930 107 HB2 SER 14 2HB SER 14 -4.299 12.940 -0.763 108 HB3 SER 14 1HB SER 14 -2.930 13.211 -1.841 109 HG SER 14 HG SER 14 -2.904 12.402 0.870 110 H SER 15 H SER 15 -3.093 16.896 0.985 111 HA SER 15 HA SER 15 -2.870 15.774 3.568 112 HB2 SER 15 2HB SER 15 -2.075 18.049 2.994 113 HB3 SER 15 1HB SER 15 -3.746 18.568 2.786 114 HG SER 15 HG SER 15 -3.745 18.940 4.844 115 H GLY 16 H GLY 16 -4.364 15.665 5.279 116 HA2 GLY 16 2HA GLY 16 -6.638 16.208 6.073 117 HA3 GLY 16 1HA GLY 16 -7.203 15.807 4.460 118 H SER 17 H SER 17 -6.793 14.690 7.579 119 HA SER 17 HA SER 17 -7.299 12.728 8.597 120 HB2 SER 17 2HB SER 17 -8.640 12.529 6.092 121 HB3 SER 17 1HB SER 17 -7.924 10.957 6.447 122 HG SER 17 HG SER 17 -10.011 11.178 7.360 123 H SER 18 H SER 18 -5.956 11.618 5.455 124 HA SER 18 HA SER 18 -4.267 9.709 6.756 125 HB2 SER 18 2HB SER 18 -3.241 9.780 4.257 126 HB3 SER 18 1HB SER 18 -4.702 8.886 4.676 127 HG SER 18 HG SER 18 -4.626 10.556 2.820 128 H GLN 19 H GLN 19 -3.097 11.024 8.204 129 HA GLN 19 HA GLN 19 -1.317 13.065 7.227 130 HB2 GLN 19 2HB GLN 19 -2.369 13.179 9.469 131 HB3 GLN 19 1HB GLN 19 -1.449 11.763 9.954 132 HG2 GLN 19 2HG GLN 19 -0.141 13.413 10.817 133 HG3 GLN 19 1HG GLN 19 0.597 13.232 9.227 134 HE21 GLN 19 1HE2 GLN 19 1.403 15.352 9.357 135 HE22 GLN 19 2HE2 GLN 19 0.379 16.722 9.110 136 H SER 20 H SER 20 -0.715 10.013 8.993 137 HA SER 20 HA SER 20 0.956 8.479 8.873 138 HB2 SER 20 2HB SER 20 0.388 8.545 6.409 139 HB3 SER 20 1HB SER 20 1.708 9.696 6.206 140 HG SER 20 HG SER 20 1.874 7.018 7.123 141 H LEU 21 H LEU 21 3.370 8.247 8.842 142 HA LEU 21 HA LEU 21 4.543 10.527 10.165 143 HB2 LEU 21 2HB LEU 21 5.149 7.671 9.870 144 HB3 LEU 21 1HB LEU 21 6.570 8.698 9.894 145 HG LEU 21 HG LEU 21 4.465 8.949 12.021 146 HD11 LEU 21 1HD1 LEU 21 5.286 6.557 11.766 147 HD12 LEU 21 2HD1 LEU 21 5.475 7.304 13.351 148 HD13 LEU 21 3HD1 LEU 21 6.863 7.160 12.272 149 HD21 LEU 21 3HD2 LEU 21 5.880 10.686 12.369 150 HD22 LEU 21 1HD2 LEU 21 7.231 9.894 11.557 151 HD23 LEU 21 2HD2 LEU 21 6.809 9.445 13.211 152 H ILE 22 H ILE 22 4.906 8.849 7.086 153 HA ILE 22 HA ILE 22 6.640 11.037 6.156 154 HB ILE 22 HB ILE 22 7.972 8.967 6.498 155 HG12 ILE 22 2HG1 ILE 22 8.768 8.828 4.013 156 HG13 ILE 22 1HG1 ILE 22 7.595 10.126 3.751 157 HG21 ILE 22 1HG2 ILE 22 7.623 7.009 5.154 158 HG22 ILE 22 2HG2 ILE 22 6.292 7.783 4.294 159 HG23 ILE 22 3HG2 ILE 22 6.123 7.383 6.003 160 HD11 ILE 22 3HD1 ILE 22 9.634 11.203 4.093 161 HD12 ILE 22 1HD1 ILE 22 10.069 10.152 5.441 162 HD13 ILE 22 2HD1 ILE 22 8.789 11.352 5.635 163 H ASP 23 H ASP 23 6.232 11.814 4.098 164 HA ASP 23 HA ASP 23 3.709 10.942 2.908 165 HB2 ASP 23 2HB ASP 23 4.906 13.464 3.301 166 HB3 ASP 23 1HB ASP 23 4.898 13.197 1.560 167 H GLU 24 H GLU 24 6.106 9.315 2.603 168 HA GLU 24 HA GLU 24 6.830 9.657 -0.201 169 HB2 GLU 24 2HB GLU 24 8.335 8.946 1.927 170 HB3 GLU 24 1HB GLU 24 7.880 7.356 1.336 171 HG2 GLU 24 2HG GLU 24 9.028 7.608 -0.637 172 HG3 GLU 24 1HG GLU 24 8.959 9.369 -0.578 173 H ASP 25 H ASP 25 5.179 8.955 -1.458 174 HA ASP 25 HA ASP 25 3.449 6.824 -0.870 175 HB2 ASP 25 2HB ASP 25 4.140 7.773 -3.655 176 HB3 ASP 25 1HB ASP 25 2.648 7.013 -3.120 177 H ALA 26 H ALA 26 3.220 4.816 -2.197 178 HA ALA 26 HA ALA 26 5.855 3.554 -2.584 179 HB1 ALA 26 1HB ALA 26 5.085 1.641 -1.638 180 HB2 ALA 26 2HB ALA 26 3.446 1.865 -2.248 181 HB3 ALA 26 3HB ALA 26 3.993 2.769 -0.835 182 H VAL 27 H VAL 27 5.580 1.506 -4.089 183 HA VAL 27 HA VAL 27 4.114 2.377 -6.492 184 HB VAL 27 HB VAL 27 5.903 1.168 -7.807 185 HG11 VAL 27 1HG1 VAL 27 7.356 3.322 -6.440 186 HG12 VAL 27 2HG1 VAL 27 5.731 3.751 -6.973 187 HG13 VAL 27 3HG1 VAL 27 6.912 3.150 -8.138 188 HG21 VAL 27 3HG2 VAL 27 8.112 0.952 -6.665 189 HG22 VAL 27 1HG2 VAL 27 6.897 -0.190 -6.092 190 HG23 VAL 27 2HG2 VAL 27 7.293 1.233 -5.129 191 H CYS 28 H CYS 28 2.436 1.099 -6.828 192 HA CYS 28 HA CYS 28 2.112 -1.456 -5.718 193 HB2 CYS 28 2HB CYS 28 0.178 -0.166 -6.216 194 HB3 CYS 28 1HB CYS 28 0.639 -0.018 -7.918 195 H SER 29 H SER 29 2.001 -3.507 -6.690 196 HA SER 29 HA SER 29 3.879 -3.849 -8.908 197 HB2 SER 29 2HB SER 29 3.760 -5.145 -6.537 198 HB3 SER 29 1HB SER 29 2.788 -6.232 -7.528 199 HG SER 29 HG SER 29 5.238 -6.451 -7.419 200 H ILE 30 H ILE 30 0.522 -4.572 -8.007 201 HA ILE 30 HA ILE 30 -0.052 -6.194 -10.263 202 HB ILE 30 HB ILE 30 -1.788 -4.692 -8.318 203 HG12 ILE 30 2HG1 ILE 30 -2.525 -7.315 -8.237 204 HG13 ILE 30 1HG1 ILE 30 -0.820 -7.460 -8.687 205 HG21 ILE 30 1HG2 ILE 30 -2.714 -6.277 -10.710 206 HG22 ILE 30 2HG2 ILE 30 -2.998 -4.565 -10.393 207 HG23 ILE 30 3HG2 ILE 30 -3.753 -5.790 -9.369 208 HD11 ILE 30 3HD1 ILE 30 -1.189 -7.585 -6.264 209 HD12 ILE 30 1HD1 ILE 30 -1.854 -5.953 -6.292 210 HD13 ILE 30 2HD1 ILE 30 -0.166 -6.225 -6.720 211 H CYS 31 H CYS 31 0.072 -2.744 -9.769 212 HA CYS 31 HA CYS 31 -0.481 -2.333 -12.596 213 HB2 CYS 31 2HB CYS 31 -2.272 -0.871 -12.318 214 HB3 CYS 31 1HB CYS 31 -2.598 -2.107 -11.099 215 H MET 32 H MET 32 0.480 -0.505 -13.475 216 HA MET 32 HA MET 32 2.390 0.879 -11.709 217 HB2 MET 32 2HB MET 32 2.468 0.247 -14.659 218 HB3 MET 32 1HB MET 32 3.529 1.449 -13.942 219 HG2 MET 32 2HG MET 32 4.436 -0.273 -12.443 220 HG3 MET 32 1HG MET 32 3.407 -1.472 -13.225 221 HE1 MET 32 3HE MET 32 6.218 0.837 -13.230 222 HE2 MET 32 1HE MET 32 7.109 0.630 -14.737 223 HE3 MET 32 2HE MET 32 7.271 -0.561 -13.446 224 H ASP 33 H ASP 33 -0.217 1.770 -11.646 225 HA ASP 33 HA ASP 33 -1.535 3.604 -11.843 226 HB2 ASP 33 2HB ASP 33 1.232 4.688 -12.064 227 HB3 ASP 33 1HB ASP 33 -0.106 5.771 -12.471 228 H GLY 34 H GLY 34 -1.177 1.940 -14.211 229 HA2 GLY 34 2HA GLY 34 -1.137 3.760 -16.472 230 HA3 GLY 34 1HA GLY 34 -1.392 2.012 -16.532 231 H GLU 35 H GLU 35 -3.532 2.173 -14.475 232 HA GLU 35 HA GLU 35 -5.733 2.554 -16.251 233 HB2 GLU 35 2HB GLU 35 -7.123 1.926 -14.334 234 HB3 GLU 35 1HB GLU 35 -5.765 0.825 -14.517 235 HG2 GLU 35 2HG GLU 35 -4.599 1.865 -12.700 236 HG3 GLU 35 1HG GLU 35 -5.824 3.128 -12.583 237 H SER 36 H SER 36 -7.750 3.774 -15.185 238 HA SER 36 HA SER 36 -6.826 6.523 -14.706 239 HB2 SER 36 2HB SER 36 -9.633 5.841 -15.524 240 HB3 SER 36 1HB SER 36 -8.717 7.319 -15.817 241 HG SER 36 HG SER 36 -9.034 5.339 -17.472 242 H GLN 37 H GLN 37 -6.532 6.190 -12.446 243 HA GLN 37 HA GLN 37 -9.059 6.073 -10.935 244 HB2 GLN 37 2HB GLN 37 -7.604 4.070 -10.611 245 HB3 GLN 37 1HB GLN 37 -6.344 5.135 -9.979 246 HG2 GLN 37 2HG GLN 37 -7.468 4.126 -8.141 247 HG3 GLN 37 1HG GLN 37 -7.913 5.829 -8.187 248 HE21 GLN 37 1HE2 GLN 37 -9.536 4.515 -6.713 249 HE22 GLN 37 2HE2 GLN 37 -11.020 4.110 -7.500 250 H ASN 38 H ASN 38 -9.327 7.514 -9.223 251 HA ASN 38 HA ASN 38 -7.519 9.820 -9.288 252 HB2 ASN 38 2HB ASN 38 -10.201 9.809 -9.465 253 HB3 ASN 38 1HB ASN 38 -10.042 9.929 -7.716 254 HD21 ASN 38 1HD2 ASN 38 -8.468 11.643 -6.971 255 HD22 ASN 38 2HD2 ASN 38 -8.511 13.151 -7.813 256 H SER 39 H SER 39 -9.425 8.151 -6.754 257 HA SER 39 HA SER 39 -7.200 8.634 -4.884 258 HB2 SER 39 2HB SER 39 -9.703 9.504 -4.540 259 HB3 SER 39 1HB SER 39 -9.903 7.879 -3.873 260 HG SER 39 HG SER 39 -9.062 9.856 -2.543 261 H ASN 40 H ASN 40 -5.994 6.899 -4.502 262 HA ASN 40 HA ASN 40 -7.311 4.265 -4.346 263 HB2 ASN 40 2HB ASN 40 -5.159 3.300 -5.248 264 HB3 ASN 40 1HB ASN 40 -6.088 4.247 -6.402 265 HD21 ASN 40 1HD2 ASN 40 -3.267 4.230 -4.324 266 HD22 ASN 40 2HD2 ASN 40 -2.427 5.500 -5.139 267 H VAL 41 H VAL 41 -5.980 2.637 -3.112 268 HA VAL 41 HA VAL 41 -4.472 3.931 -0.937 269 HB VAL 41 HB VAL 41 -5.420 2.182 0.608 270 HG11 VAL 41 1HG1 VAL 41 -6.808 3.766 1.322 271 HG12 VAL 41 2HG1 VAL 41 -7.830 3.616 -0.109 272 HG13 VAL 41 3HG1 VAL 41 -6.407 4.661 -0.144 273 HG21 VAL 41 3HG2 VAL 41 -7.727 1.351 -0.148 274 HG22 VAL 41 1HG2 VAL 41 -6.302 0.520 -0.768 275 HG23 VAL 41 2HG2 VAL 41 -7.159 1.681 -1.783 276 H ILE 42 H ILE 42 -2.421 3.316 -1.288 277 HA ILE 42 HA ILE 42 -1.835 0.606 -2.186 278 HB ILE 42 HB ILE 42 -0.648 2.605 -3.151 279 HG12 ILE 42 2HG1 ILE 42 1.630 1.121 -2.132 280 HG13 ILE 42 1HG1 ILE 42 0.299 0.038 -2.560 281 HG21 ILE 42 1HG2 ILE 42 0.730 2.637 -0.469 282 HG22 ILE 42 2HG2 ILE 42 -0.326 3.890 -1.120 283 HG23 ILE 42 3HG2 ILE 42 1.226 3.559 -1.889 284 HD11 ILE 42 3HD1 ILE 42 1.766 1.975 -4.319 285 HD12 ILE 42 1HD1 ILE 42 0.224 1.256 -4.780 286 HD13 ILE 42 2HD1 ILE 42 1.622 0.225 -4.483 287 H LEU 43 H LEU 43 -0.600 -0.887 -1.016 288 HA LEU 43 HA LEU 43 -0.393 -0.329 1.872 289 HB2 LEU 43 2HB LEU 43 -0.858 -2.979 0.498 290 HB3 LEU 43 1HB LEU 43 -0.730 -2.733 2.228 291 HG LEU 43 HG LEU 43 -2.847 -1.274 0.702 292 HD11 LEU 43 1HD1 LEU 43 -3.612 -3.244 -0.059 293 HD12 LEU 43 2HD1 LEU 43 -4.206 -3.423 1.592 294 HD13 LEU 43 3HD1 LEU 43 -2.687 -4.181 1.112 295 HD21 LEU 43 3HD2 LEU 43 -3.917 -1.126 2.751 296 HD22 LEU 43 1HD2 LEU 43 -2.216 -0.965 3.184 297 HD23 LEU 43 2HD2 LEU 43 -3.043 -2.502 3.422 298 H PHE 44 H PHE 44 1.363 -1.347 3.018 299 HA PHE 44 HA PHE 44 3.597 -2.231 1.323 300 HB2 PHE 44 2HB PHE 44 3.511 0.274 2.459 301 HB3 PHE 44 1HB PHE 44 4.404 -0.647 3.662 302 HD1 PHE 44 1HD PHE 44 4.307 -0.157 -0.033 303 HD2 PHE 44 2HD PHE 44 6.687 -0.752 3.447 304 HE1 PHE 44 1HE PHE 44 6.350 0.077 -1.390 305 HE2 PHE 44 2HE PHE 44 8.730 -0.523 2.097 306 HZ PHE 44 HZ PHE 44 8.563 -0.108 -0.325 307 H CYS 45 H CYS 45 4.808 -3.908 2.162 308 HA CYS 45 HA CYS 45 3.682 -5.365 4.325 309 HB2 CYS 45 2HB CYS 45 5.031 -6.311 2.362 310 HB3 CYS 45 1HB CYS 45 6.469 -5.816 3.267 311 H ASP 46 H ASP 46 4.518 -5.817 6.391 312 HA ASP 46 HA ASP 46 5.826 -3.559 7.612 313 HB2 ASP 46 2HB ASP 46 4.288 -5.889 8.527 314 HB3 ASP 46 1HB ASP 46 5.571 -5.378 9.630 315 H MET 47 H MET 47 6.939 -6.529 6.305 316 HA MET 47 HA MET 47 9.538 -6.066 7.604 317 HB2 MET 47 2HB MET 47 7.975 -8.241 8.192 318 HB3 MET 47 1HB MET 47 8.965 -8.864 6.871 319 HG2 MET 47 2HG MET 47 10.493 -7.399 8.875 320 HG3 MET 47 1HG MET 47 9.659 -8.812 9.518 321 HE1 MET 47 3HE MET 47 13.039 -8.894 9.514 322 HE2 MET 47 1HE MET 47 12.661 -7.517 8.479 323 HE3 MET 47 2HE MET 47 13.642 -8.844 7.857 324 H CYS 48 H CYS 48 8.027 -5.625 4.908 325 HA CYS 48 HA CYS 48 10.308 -6.246 3.226 326 HB2 CYS 48 2HB CYS 48 7.509 -7.114 2.476 327 HB3 CYS 48 1HB CYS 48 8.997 -7.413 1.590 328 H ASN 49 H ASN 49 9.390 -5.581 0.804 329 HA ASN 49 HA ASN 49 8.403 -2.830 1.120 330 HB2 ASN 49 2HB ASN 49 9.550 -2.397 -1.080 331 HB3 ASN 49 1HB ASN 49 10.634 -2.774 0.267 332 HD21 ASN 49 1HD2 ASN 49 12.086 -4.328 -0.023 333 HD22 ASN 49 2HD2 ASN 49 12.092 -5.471 -1.318 334 H LEU 50 H LEU 50 7.216 -5.745 0.319 335 HA LEU 50 HA LEU 50 6.067 -5.575 -2.185 336 HB2 LEU 50 2HB LEU 50 5.921 -7.590 -0.851 337 HB3 LEU 50 1HB LEU 50 4.930 -6.766 0.352 338 HG LEU 50 HG LEU 50 3.281 -6.421 -1.657 339 HD11 LEU 50 1HD1 LEU 50 4.539 -8.975 -2.581 340 HD12 LEU 50 2HD1 LEU 50 5.062 -7.420 -3.225 341 HD13 LEU 50 3HD1 LEU 50 3.386 -7.934 -3.413 342 HD21 LEU 50 3HD2 LEU 50 3.541 -9.204 -0.558 343 HD22 LEU 50 1HD2 LEU 50 2.075 -8.307 -0.956 344 HD23 LEU 50 2HD2 LEU 50 3.041 -7.840 0.444 345 H ALA 51 H ALA 51 5.232 -3.681 -2.870 346 HA ALA 51 HA ALA 51 3.164 -2.418 -1.222 347 HB1 ALA 51 1HB ALA 51 4.154 -0.949 -3.568 348 HB2 ALA 51 2HB ALA 51 5.351 -1.257 -2.312 349 HB3 ALA 51 3HB ALA 51 3.862 -0.397 -1.919 350 H VAL 52 H VAL 52 1.163 -3.032 -1.779 351 HA VAL 52 HA VAL 52 0.382 -2.880 -4.589 352 HB VAL 52 HB VAL 52 -0.890 -5.042 -4.410 353 HG11 VAL 52 1HG1 VAL 52 1.111 -6.482 -4.794 354 HG12 VAL 52 2HG1 VAL 52 2.120 -5.126 -4.295 355 HG13 VAL 52 3HG1 VAL 52 1.103 -4.988 -5.727 356 HG21 VAL 52 3HG2 VAL 52 -0.848 -6.341 -2.595 357 HG22 VAL 52 1HG2 VAL 52 -0.207 -4.933 -1.750 358 HG23 VAL 52 2HG2 VAL 52 0.892 -6.155 -2.389 359 H HIS 53 H HIS 53 -1.661 -2.063 -4.860 360 HA HIS 53 HA HIS 53 -3.021 -0.930 -2.664 361 HB2 HIS 53 2HB HIS 53 -4.219 -1.600 -5.365 362 HB3 HIS 53 1HB HIS 53 -4.846 -0.442 -4.204 363 HD2 HIS 53 2HD HIS 53 -3.133 1.873 -3.862 364 HE1 HIS 53 1HE HIS 53 -1.478 1.360 -7.725 365 HE2 HIS 53 2HE HIS 53 -1.857 2.994 -5.824 366 H GLN 54 H GLN 54 -4.871 -1.573 -1.517 367 HA GLN 54 HA GLN 54 -5.180 -4.347 -1.090 368 HB2 GLN 54 2HB GLN 54 -6.981 -3.792 0.405 369 HB3 GLN 54 1HB GLN 54 -5.687 -2.626 0.617 370 HG2 GLN 54 2HG GLN 54 -7.147 -0.994 0.335 371 HG3 GLN 54 1HG GLN 54 -7.419 -1.548 -1.325 372 HE21 GLN 54 1HE2 GLN 54 -8.261 -2.972 1.824 373 HE22 GLN 54 2HE2 GLN 54 -9.958 -3.066 1.519 374 H GLU 55 H GLU 55 -6.554 -2.276 -3.453 375 HA GLU 55 HA GLU 55 -8.814 -4.036 -4.003 376 HB2 GLU 55 2HB GLU 55 -7.905 -1.367 -5.026 377 HB3 GLU 55 1HB GLU 55 -9.021 -2.328 -5.986 378 HG2 GLU 55 2HG GLU 55 -10.748 -1.798 -4.696 379 HG3 GLU 55 1HG GLU 55 -9.851 -2.134 -3.215 380 H CYS 56 H CYS 56 -5.614 -3.346 -5.027 381 HA CYS 56 HA CYS 56 -5.757 -4.612 -7.586 382 HB2 CYS 56 2HB CYS 56 -3.896 -3.025 -6.063 383 HB3 CYS 56 1HB CYS 56 -3.096 -4.433 -6.697 384 H TYR 57 H TYR 57 -4.555 -5.432 -4.356 385 HA TYR 57 HA TYR 57 -3.658 -8.032 -5.199 386 HB2 TYR 57 2HB TYR 57 -2.716 -6.505 -3.293 387 HB3 TYR 57 1HB TYR 57 -3.978 -7.257 -2.324 388 HD1 TYR 57 2HD TYR 57 -0.866 -7.859 -4.195 389 HD2 TYR 57 1HD TYR 57 -3.804 -9.551 -1.624 390 HE1 TYR 57 2HE TYR 57 0.607 -9.783 -3.787 391 HE2 TYR 57 1HE TYR 57 -2.337 -11.480 -1.207 392 HH TYR 57 HH TYR 57 0.414 -12.140 -3.071 393 H GLY 58 H GLY 58 -6.538 -6.666 -3.805 394 HA2 GLY 58 2HA GLY 58 -8.644 -7.698 -3.779 395 HA3 GLY 58 1HA GLY 58 -7.855 -9.264 -3.999 396 H VAL 59 H VAL 59 -6.987 -6.874 -1.559 397 HA VAL 59 HA VAL 59 -7.080 -8.779 0.540 398 HB VAL 59 HB VAL 59 -7.028 -5.768 0.824 399 HG11 VAL 59 1HG1 VAL 59 -6.122 -6.110 2.970 400 HG12 VAL 59 2HG1 VAL 59 -5.843 -7.825 2.667 401 HG13 VAL 59 3HG1 VAL 59 -7.488 -7.217 2.851 402 HG21 VAL 59 3HG2 VAL 59 -4.787 -7.718 0.332 403 HG22 VAL 59 1HG2 VAL 59 -4.534 -6.096 0.976 404 HG23 VAL 59 2HG2 VAL 59 -5.231 -6.309 -0.631 405 HA PRO 60 HA PRO 60 -11.429 -8.610 1.439 406 HB2 PRO 60 2HB PRO 60 -11.357 -9.695 3.943 407 HB3 PRO 60 1HB PRO 60 -11.222 -10.646 2.457 408 HG2 PRO 60 2HG PRO 60 -9.064 -9.682 4.295 409 HG3 PRO 60 1HG PRO 60 -9.241 -11.259 3.503 410 HD2 PRO 60 2HD PRO 60 -7.565 -9.358 2.570 411 HD3 PRO 60 1HD PRO 60 -8.412 -10.484 1.493 412 H TYR 61 H TYR 61 -9.229 -7.583 4.071 413 HA TYR 61 HA TYR 61 -10.871 -5.191 4.435 414 HB2 TYR 61 2HB TYR 61 -9.962 -6.589 6.921 415 HB3 TYR 61 1HB TYR 61 -11.327 -5.490 6.684 416 HD1 TYR 61 2HD TYR 61 -13.423 -6.355 5.635 417 HD2 TYR 61 1HD TYR 61 -10.217 -8.932 6.713 418 HE1 TYR 61 2HE TYR 61 -14.944 -8.283 5.519 419 HE2 TYR 61 1HE TYR 61 -11.730 -10.871 6.601 420 HH TYR 61 HH TYR 61 -13.931 -11.424 5.369 421 H ILE 62 H ILE 62 -9.665 -3.937 6.446 422 HA ILE 62 HA ILE 62 -6.784 -3.986 5.841 423 HB ILE 62 HB ILE 62 -8.433 -1.474 6.171 424 HG12 ILE 62 2HG1 ILE 62 -7.022 -2.489 3.698 425 HG13 ILE 62 1HG1 ILE 62 -8.740 -2.722 3.998 426 HG21 ILE 62 1HG2 ILE 62 -6.100 -0.624 5.168 427 HG22 ILE 62 2HG2 ILE 62 -5.527 -2.019 6.081 428 HG23 ILE 62 3HG2 ILE 62 -6.416 -0.736 6.900 429 HD11 ILE 62 3HD1 ILE 62 -7.714 0.045 4.159 430 HD12 ILE 62 1HD1 ILE 62 -9.249 -0.567 3.543 431 HD13 ILE 62 2HD1 ILE 62 -7.788 -0.705 2.564 432 HA PRO 63 HA PRO 63 -7.441 -4.476 10.413 433 HB2 PRO 63 2HB PRO 63 -4.802 -5.786 10.038 434 HB3 PRO 63 1HB PRO 63 -6.232 -6.356 10.920 435 HG2 PRO 63 2HG PRO 63 -5.552 -7.423 8.572 436 HG3 PRO 63 1HG PRO 63 -7.253 -7.160 9.003 437 HD2 PRO 63 2HD PRO 63 -5.488 -5.571 7.182 438 HD3 PRO 63 1HD PRO 63 -7.200 -6.001 7.000 439 H GLU 64 H GLU 64 -6.071 -3.748 12.205 440 HA GLU 64 HA GLU 64 -4.283 -1.570 11.364 441 HB2 GLU 64 2HB GLU 64 -6.188 -1.907 13.628 442 HB3 GLU 64 1HB GLU 64 -4.743 -0.948 13.919 443 HG2 GLU 64 2HG GLU 64 -5.964 0.749 13.150 444 HG3 GLU 64 1HG GLU 64 -5.591 0.087 11.559 445 H GLY 65 H GLY 65 -3.457 -4.376 11.608 446 HA2 GLY 65 2HA GLY 65 -1.551 -4.149 13.855 447 HA3 GLY 65 1HA GLY 65 -2.132 -5.674 13.203 448 H GLN 66 H GLN 66 -0.406 -6.661 12.353 449 HA GLN 66 HA GLN 66 1.416 -5.077 10.666 450 HB2 GLN 66 2HB GLN 66 1.881 -7.751 12.003 451 HB3 GLN 66 1HB GLN 66 3.053 -6.880 11.022 452 HG2 GLN 66 2HG GLN 66 2.740 -4.976 12.727 453 HG3 GLN 66 1HG GLN 66 2.018 -6.217 13.749 454 HE21 GLN 66 1HE2 GLN 66 4.908 -5.607 11.783 455 HE22 GLN 66 2HE2 GLN 66 6.009 -6.412 12.844 456 H TRP 67 H TRP 67 2.024 -5.816 8.625 457 HA TRP 67 HA TRP 67 0.311 -7.933 7.499 458 HB2 TRP 67 2HB TRP 67 -0.098 -5.551 6.690 459 HB3 TRP 67 1HB TRP 67 1.492 -5.631 5.936 460 HD1 TRP 67 HD TRP 67 -1.281 -8.346 5.939 461 HE1 TRP 67 1HE TRP 67 -1.828 -8.922 3.495 462 HE3 TRP 67 3HE TRP 67 1.738 -4.941 3.600 463 HZ2 TRP 67 2HZ TRP 67 -1.089 -8.049 0.912 464 HZ3 TRP 67 3HZ TRP 67 1.758 -4.879 1.140 465 HH2 TRP 67 HH TRP 67 0.373 -6.402 -0.173 466 H LEU 68 H LEU 68 1.475 -9.723 7.191 467 HA LEU 68 HA LEU 68 4.245 -9.453 6.210 468 HB2 LEU 68 2HB LEU 68 2.981 -11.610 7.900 469 HB3 LEU 68 1HB LEU 68 4.513 -11.828 7.081 470 HG LEU 68 HG LEU 68 4.595 -11.227 9.551 471 HD11 LEU 68 1HD1 LEU 68 6.547 -11.129 8.125 472 HD12 LEU 68 2HD1 LEU 68 6.548 -9.773 9.254 473 HD13 LEU 68 3HD1 LEU 68 6.089 -9.518 7.570 474 HD21 LEU 68 3HD2 LEU 68 4.235 -9.036 10.268 475 HD22 LEU 68 1HD2 LEU 68 2.838 -9.390 9.252 476 HD23 LEU 68 2HD2 LEU 68 4.163 -8.409 8.622 477 H CYS 69 H CYS 69 4.180 -9.708 4.057 478 HA CYS 69 HA CYS 69 2.252 -11.138 2.620 479 HB2 CYS 69 2HB CYS 69 3.683 -10.849 0.686 480 HB3 CYS 69 1HB CYS 69 3.703 -9.370 1.650 481 H ARG 70 H ARG 70 2.755 -13.013 1.165 482 HA ARG 70 HA ARG 70 3.204 -15.309 2.615 483 HB2 ARG 70 2HB ARG 70 2.908 -14.627 -0.209 484 HB3 ARG 70 1HB ARG 70 3.849 -16.087 0.062 485 HG2 ARG 70 2HG ARG 70 2.074 -17.259 0.829 486 HG3 ARG 70 1HG ARG 70 1.327 -15.849 1.582 487 HD2 ARG 70 2HD ARG 70 -0.037 -16.590 -0.266 488 HD3 ARG 70 1HD ARG 70 0.687 -15.031 -0.655 489 HE ARG 70 HE ARG 70 2.215 -17.264 -1.617 490 HH11 ARG 70 1HH1 ARG 70 -0.477 -15.142 -2.331 491 HH12 ARG 70 2HH1 ARG 70 -0.366 -15.373 -4.042 492 HH21 ARG 70 1HH2 ARG 70 2.359 -17.559 -3.882 493 HH22 ARG 70 2HH2 ARG 70 1.242 -16.742 -4.922 494 H HIS 71 H HIS 71 5.665 -13.252 1.206 495 HA HIS 71 HA HIS 71 7.670 -15.296 1.099 496 HB2 HIS 71 2HB HIS 71 7.534 -13.011 -0.182 497 HB3 HIS 71 1HB HIS 71 8.327 -12.376 1.256 498 HD1 HIS 71 1HD HIS 71 8.954 -14.327 -1.818 499 HD2 HIS 71 2HD HIS 71 10.957 -13.401 1.704 500 HE1 HIS 71 1HE HIS 71 11.359 -14.933 -2.233 501 HE2 HIS 71 2HE HIS 71 12.568 -14.266 -0.125 502 H CYS 72 H CYS 72 6.884 -12.666 3.340 503 HA CYS 72 HA CYS 72 9.031 -13.412 5.105 504 HB2 CYS 72 2HB CYS 72 8.085 -11.638 6.558 505 HB3 CYS 72 1HB CYS 72 8.533 -11.107 4.930 506 H LEU 73 H LEU 73 5.465 -13.579 5.195 507 HA LEU 73 HA LEU 73 5.254 -14.695 7.753 508 HB2 LEU 73 2HB LEU 73 3.045 -15.333 7.203 509 HB3 LEU 73 1HB LEU 73 3.352 -13.825 6.367 510 HG LEU 73 HG LEU 73 3.911 -15.351 4.331 511 HD11 LEU 73 1HD1 LEU 73 2.155 -17.350 4.609 512 HD12 LEU 73 2HD1 LEU 73 2.736 -17.247 6.271 513 HD13 LEU 73 3HD1 LEU 73 3.874 -17.526 4.954 514 HD21 LEU 73 3HD2 LEU 73 1.201 -14.712 5.436 515 HD22 LEU 73 1HD2 LEU 73 1.384 -15.511 3.875 516 HD23 LEU 73 2HD2 LEU 73 2.089 -13.917 4.137 517 H GLN 74 H GLN 74 6.267 -16.076 4.724 518 HA GLN 74 HA GLN 74 5.958 -18.819 5.595 519 HB2 GLN 74 2HB GLN 74 7.040 -17.469 3.172 520 HB3 GLN 74 1HB GLN 74 7.618 -19.090 3.529 521 HG2 GLN 74 2HG GLN 74 4.739 -18.900 3.748 522 HG3 GLN 74 1HG GLN 74 5.318 -18.420 2.155 523 HE21 GLN 74 1HE2 GLN 74 6.853 -19.933 1.109 524 HE22 GLN 74 2HE2 GLN 74 6.592 -21.626 1.331 525 H SER 75 H SER 75 8.565 -16.442 5.374 526 HA SER 75 HA SER 75 10.753 -18.060 5.965 527 HB2 SER 75 2HB SER 75 10.959 -15.696 5.297 528 HB3 SER 75 1HB SER 75 10.272 -15.198 6.844 529 HG SER 75 HG SER 75 12.755 -16.464 6.351 530 H ARG 76 H ARG 76 8.552 -16.362 8.187 531 HA ARG 76 HA ARG 76 9.829 -17.479 10.520 532 HB2 ARG 76 2HB ARG 76 8.832 -15.216 10.530 533 HB3 ARG 76 1HB ARG 76 7.242 -15.933 10.297 534 HG2 ARG 76 2HG ARG 76 8.383 -17.218 12.525 535 HG3 ARG 76 1HG ARG 76 8.688 -15.490 12.719 536 HD2 ARG 76 2HD ARG 76 5.978 -16.500 11.939 537 HD3 ARG 76 1HD ARG 76 6.483 -16.492 13.628 538 HE ARG 76 HE ARG 76 7.006 -13.966 12.848 539 HH11 ARG 76 1HH1 ARG 76 4.155 -15.977 12.561 540 HH12 ARG 76 2HH1 ARG 76 3.056 -14.641 12.610 541 HH21 ARG 76 1HH2 ARG 76 5.548 -12.205 12.913 542 HH22 ARG 76 2HH2 ARG 76 3.845 -12.502 12.810 543 H ALA 77 H ALA 77 7.206 -18.378 8.433 544 HA ALA 77 HA ALA 77 5.943 -20.130 10.352 545 HB1 ALA 77 1HB ALA 77 5.484 -19.634 7.420 546 HB2 ALA 77 2HB ALA 77 4.472 -19.152 8.781 547 HB3 ALA 77 3HB ALA 77 4.598 -20.853 8.335 548 H ARG 78 H ARG 78 8.573 -20.369 8.148 549 HA ARG 78 HA ARG 78 8.508 -22.993 7.299 550 HB2 ARG 78 2HB ARG 78 10.458 -20.919 7.445 551 HB3 ARG 78 1HB ARG 78 11.202 -22.389 8.055 552 HG2 ARG 78 2HG ARG 78 10.090 -23.405 5.871 553 HG3 ARG 78 1HG ARG 78 10.232 -21.732 5.332 554 HD2 ARG 78 2HD ARG 78 12.508 -21.788 5.308 555 HD3 ARG 78 1HD ARG 78 12.605 -22.947 6.632 556 HE ARG 78 HE ARG 78 11.558 -24.400 4.592 557 HH11 ARG 78 1HH1 ARG 78 14.422 -22.400 4.885 558 HH12 ARG 78 2HH1 ARG 78 15.328 -23.318 3.730 559 HH21 ARG 78 1HH2 ARG 78 12.764 -25.607 3.081 560 HH22 ARG 78 2HH2 ARG 78 14.388 -25.138 2.707 561 HA PRO 79 HA PRO 79 10.855 -24.223 11.481 562 HB2 PRO 79 2HB PRO 79 9.585 -22.168 13.214 563 HB3 PRO 79 1HB PRO 79 11.222 -22.831 13.269 564 HG2 PRO 79 2HG PRO 79 10.774 -20.382 12.328 565 HG3 PRO 79 1HG PRO 79 11.982 -21.440 11.575 566 HD2 PRO 79 2HD PRO 79 9.231 -20.738 10.651 567 HD3 PRO 79 1HD PRO 79 10.710 -20.988 9.704 568 H ALA 80 H ALA 80 9.941 -25.312 13.408 569 HA ALA 80 HA ALA 80 7.048 -25.370 13.648 570 HB1 ALA 80 1HB ALA 80 6.967 -27.007 12.071 571 HB2 ALA 80 2HB ALA 80 7.317 -28.008 13.479 572 HB3 ALA 80 3HB ALA 80 8.618 -27.547 12.381 Start of MODEL 19 1 H1 ALA 1 1HT ALA 1 -2.479 -2.053 9.233 2 H2 ALA 1 2HT ALA 1 -0.939 -2.165 9.983 3 H3 ALA 1 3HT ALA 1 -1.757 -3.589 9.486 4 HA ALA 1 HA ALA 1 0.097 -2.822 8.055 5 HB1 ALA 1 2HB ALA 1 -0.995 -3.524 6.075 6 HB2 ALA 1 3HB ALA 1 -2.568 -2.986 6.667 7 HB3 ALA 1 1HB ALA 1 -1.777 -4.379 7.406 8 H ARG 2 H ARG 2 1.046 -1.134 7.104 9 HA ARG 2 HA ARG 2 -0.119 1.458 7.225 10 HB2 ARG 2 2HB ARG 2 2.448 0.316 6.238 11 HB3 ARG 2 1HB ARG 2 1.983 1.902 5.641 12 HG2 ARG 2 2HG ARG 2 1.991 2.835 7.811 13 HG3 ARG 2 1HG ARG 2 2.074 1.247 8.572 14 HD2 ARG 2 2HD ARG 2 4.216 2.685 7.028 15 HD3 ARG 2 1HD ARG 2 4.249 2.177 8.716 16 HE ARG 2 HE ARG 2 4.015 -0.173 7.501 17 HH11 ARG 2 1HH1 ARG 2 6.139 2.524 6.809 18 HH12 ARG 2 2HH1 ARG 2 7.353 1.535 6.075 19 HH21 ARG 2 1HH2 ARG 2 5.609 -1.465 6.524 20 HH22 ARG 2 2HH2 ARG 2 7.052 -0.734 5.910 21 H THR 3 H THR 3 -1.388 2.470 5.814 22 HA THR 3 HA THR 3 -1.380 1.611 3.003 23 HB THR 3 HB THR 3 -3.942 2.375 4.371 24 HG1 THR 3 1HG THR 3 -3.322 0.646 5.577 25 HG21 THR 3 3HG2 THR 3 -4.110 2.275 2.001 26 HG22 THR 3 1HG2 THR 3 -4.916 0.857 2.675 27 HG23 THR 3 2HG2 THR 3 -3.312 0.703 1.959 28 H LYS 4 H LYS 4 -1.488 3.220 1.519 29 HA LYS 4 HA LYS 4 -1.754 5.970 2.547 30 HB2 LYS 4 2HB LYS 4 0.362 4.870 1.163 31 HB3 LYS 4 1HB LYS 4 -0.551 5.665 -0.112 32 HG2 LYS 4 2HG LYS 4 -0.536 7.644 1.679 33 HG3 LYS 4 1HG LYS 4 0.952 6.821 2.157 34 HD2 LYS 4 2HD LYS 4 2.028 7.356 0.226 35 HD3 LYS 4 1HD LYS 4 0.555 7.280 -0.743 36 HE2 LYS 4 2HE LYS 4 0.731 9.520 -0.776 37 HE3 LYS 4 1HE LYS 4 0.023 9.421 0.836 38 HZ1 LYS 4 3HZ LYS 4 2.540 9.151 1.501 39 HZ2 LYS 4 1HZ LYS 4 1.851 10.682 1.277 40 HZ3 LYS 4 2HZ LYS 4 2.788 9.985 0.050 41 H GLN 5 H GLN 5 -3.225 7.335 1.640 42 HA GLN 5 HA GLN 5 -4.978 6.181 -0.427 43 HB2 GLN 5 2HB GLN 5 -5.877 6.815 1.901 44 HB3 GLN 5 1HB GLN 5 -5.699 8.482 1.373 45 HG2 GLN 5 2HG GLN 5 -7.096 6.949 -0.616 46 HG3 GLN 5 1HG GLN 5 -7.870 6.775 0.958 47 HE21 GLN 5 1HE2 GLN 5 -8.959 8.078 -1.324 48 HE22 GLN 5 2HE2 GLN 5 -9.197 9.738 -0.910 49 H THR 6 H THR 6 -4.965 7.064 -2.389 50 HA THR 6 HA THR 6 -4.239 9.892 -2.674 51 HB THR 6 HB THR 6 -2.787 9.438 -4.545 52 HG1 THR 6 1HG THR 6 -3.790 6.837 -4.281 53 HG21 THR 6 3HG2 THR 6 -0.978 8.811 -3.391 54 HG22 THR 6 1HG2 THR 6 -1.730 7.322 -2.818 55 HG23 THR 6 2HG2 THR 6 -2.077 8.851 -2.013 56 H ALA 7 H ALA 7 -5.798 10.950 -3.694 57 HA ALA 7 HA ALA 7 -7.292 9.584 -5.824 58 HB1 ALA 7 1HB ALA 7 -8.419 9.857 -3.437 59 HB2 ALA 7 2HB ALA 7 -9.340 10.005 -4.933 60 HB3 ALA 7 3HB ALA 7 -8.797 11.450 -4.083 61 H ARG 8 H ARG 8 -8.324 10.989 -7.359 62 HA ARG 8 HA ARG 8 -8.439 12.751 -8.786 63 HB2 ARG 8 2HB ARG 8 -7.493 14.364 -6.410 64 HB3 ARG 8 1HB ARG 8 -8.139 15.032 -7.900 65 HG2 ARG 8 2HG ARG 8 -10.291 14.447 -7.397 66 HG3 ARG 8 1HG ARG 8 -9.802 13.085 -6.388 67 HD2 ARG 8 2HD ARG 8 -10.745 14.867 -5.024 68 HD3 ARG 8 1HD ARG 8 -9.035 14.642 -4.660 69 HE ARG 8 HE ARG 8 -8.625 16.761 -5.423 70 HH11 ARG 8 1HH1 ARG 8 -11.821 15.793 -6.481 71 HH12 ARG 8 2HH1 ARG 8 -12.238 17.364 -7.073 72 HH21 ARG 8 1HH2 ARG 8 -9.181 18.835 -6.210 73 HH22 ARG 8 2HH2 ARG 8 -10.740 19.089 -6.920 74 H LYS 9 H LYS 9 -6.917 12.304 -10.306 75 HA LYS 9 HA LYS 9 -4.313 13.606 -9.981 76 HB2 LYS 9 2HB LYS 9 -4.808 10.710 -10.375 77 HB3 LYS 9 1HB LYS 9 -3.519 11.421 -11.337 78 HG2 LYS 9 2HG LYS 9 -2.572 12.336 -9.193 79 HG3 LYS 9 1HG LYS 9 -3.747 11.330 -8.344 80 HD2 LYS 9 2HD LYS 9 -2.033 9.844 -8.381 81 HD3 LYS 9 1HD LYS 9 -2.701 9.482 -9.973 82 HE2 LYS 9 2HE LYS 9 -1.086 10.916 -11.034 83 HE3 LYS 9 1HE LYS 9 -0.489 11.469 -9.471 84 HZ1 LYS 9 3HZ LYS 9 -0.398 8.607 -10.197 85 HZ2 LYS 9 1HZ LYS 9 0.531 9.443 -9.054 86 HZ3 LYS 9 2HZ LYS 9 0.820 9.667 -10.705 87 H SER 10 H SER 10 -3.737 14.764 -11.705 88 HA SER 10 HA SER 10 -5.340 14.532 -14.140 89 HB2 SER 10 2HB SER 10 -3.383 16.673 -13.260 90 HB3 SER 10 1HB SER 10 -4.339 16.719 -14.742 91 HG SER 10 HG SER 10 -6.208 16.792 -13.490 92 H THR 11 H THR 11 -1.931 14.616 -13.126 93 HA THR 11 HA THR 11 -1.207 13.424 -15.721 94 HB THR 11 HB THR 11 -0.173 15.590 -15.475 95 HG1 THR 11 1HG THR 11 1.929 13.846 -14.825 96 HG21 THR 11 3HG2 THR 11 1.009 14.599 -12.891 97 HG22 THR 11 1HG2 THR 11 -0.232 15.840 -13.056 98 HG23 THR 11 2HG2 THR 11 1.386 16.124 -13.694 99 H GLY 12 H GLY 12 0.429 11.795 -15.732 100 HA2 GLY 12 2HA GLY 12 0.178 9.984 -13.514 101 HA3 GLY 12 1HA GLY 12 1.085 9.703 -14.992 102 H GLY 13 H GLY 13 3.047 11.408 -15.111 103 HA2 GLY 13 2HA GLY 13 4.383 12.413 -12.973 104 HA3 GLY 13 1HA GLY 13 4.719 10.693 -12.870 105 H SER 14 H SER 14 6.183 9.769 -14.230 106 HA SER 14 HA SER 14 7.838 9.566 -15.770 107 HB2 SER 14 2HB SER 14 5.991 10.775 -17.214 108 HB3 SER 14 1HB SER 14 7.115 12.130 -17.130 109 HG SER 14 HG SER 14 7.729 9.513 -18.048 110 H SER 15 H SER 15 7.569 13.124 -15.461 111 HA SER 15 HA SER 15 10.121 13.166 -14.034 112 HB2 SER 15 2HB SER 15 9.600 14.851 -16.497 113 HB3 SER 15 1HB SER 15 11.057 14.877 -15.504 114 HG SER 15 HG SER 15 10.836 13.481 -17.575 115 H GLY 16 H GLY 16 10.547 15.201 -12.951 116 HA2 GLY 16 2HA GLY 16 9.867 17.385 -12.251 117 HA3 GLY 16 1HA GLY 16 8.218 16.979 -12.699 118 H SER 17 H SER 17 10.698 15.518 -10.583 119 HA SER 17 HA SER 17 8.741 14.720 -8.652 120 HB2 SER 17 2HB SER 17 10.681 13.332 -8.858 121 HB3 SER 17 1HB SER 17 11.766 14.700 -8.625 122 HG SER 17 HG SER 17 10.891 13.090 -6.783 123 H SER 18 H SER 18 8.100 15.719 -6.822 124 HA SER 18 HA SER 18 9.054 18.445 -6.391 125 HB2 SER 18 2HB SER 18 6.759 17.131 -4.942 126 HB3 SER 18 1HB SER 18 7.040 18.850 -5.218 127 HG SER 18 HG SER 18 6.046 16.899 -6.959 128 H GLN 19 H GLN 19 11.101 17.236 -5.617 129 HA GLN 19 HA GLN 19 12.563 16.951 -3.904 130 HB2 GLN 19 2HB GLN 19 11.163 18.839 -2.877 131 HB3 GLN 19 1HB GLN 19 10.368 17.582 -1.944 132 HG2 GLN 19 2HG GLN 19 12.366 17.011 -0.824 133 HG3 GLN 19 1HG GLN 19 13.345 17.962 -1.939 134 HE21 GLN 19 1HE2 GLN 19 13.984 18.592 0.420 135 HE22 GLN 19 2HE2 GLN 19 13.214 20.017 1.018 136 H SER 20 H SER 20 13.310 15.154 -2.965 137 HA SER 20 HA SER 20 11.412 12.964 -2.535 138 HB2 SER 20 2HB SER 20 13.775 13.004 -3.916 139 HB3 SER 20 1HB SER 20 14.291 12.361 -2.356 140 HG SER 20 HG SER 20 12.964 11.119 -4.316 141 H LEU 21 H LEU 21 11.665 15.079 -0.572 142 HA LEU 21 HA LEU 21 12.593 13.465 1.705 143 HB2 LEU 21 2HB LEU 21 13.213 16.310 1.039 144 HB3 LEU 21 1HB LEU 21 13.014 15.877 2.724 145 HG LEU 21 HG LEU 21 14.752 13.938 1.756 146 HD11 LEU 21 1HD1 LEU 21 16.224 14.798 0.279 147 HD12 LEU 21 2HD1 LEU 21 16.059 16.439 0.905 148 HD13 LEU 21 3HD1 LEU 21 14.844 15.786 -0.194 149 HD21 LEU 21 3HD2 LEU 21 16.443 15.625 2.936 150 HD22 LEU 21 1HD2 LEU 21 15.272 14.663 3.840 151 HD23 LEU 21 2HD2 LEU 21 14.925 16.351 3.462 152 H ILE 22 H ILE 22 9.928 13.829 0.487 153 HA ILE 22 HA ILE 22 8.530 14.746 2.896 154 HB ILE 22 HB ILE 22 6.741 15.753 1.471 155 HG12 ILE 22 2HG1 ILE 22 8.116 16.476 -0.843 156 HG13 ILE 22 1HG1 ILE 22 8.488 14.757 -0.644 157 HG21 ILE 22 1HG2 ILE 22 8.404 17.717 0.710 158 HG22 ILE 22 2HG2 ILE 22 9.456 16.842 1.821 159 HG23 ILE 22 3HG2 ILE 22 7.902 17.456 2.380 160 HD11 ILE 22 3HD1 ILE 22 6.555 14.969 -2.024 161 HD12 ILE 22 1HD1 ILE 22 5.767 16.021 -0.849 162 HD13 ILE 22 2HD1 ILE 22 6.048 14.323 -0.463 163 H ASP 23 H ASP 23 7.181 13.239 3.622 164 HA ASP 23 HA ASP 23 5.877 11.386 3.769 165 HB2 ASP 23 2HB ASP 23 5.162 12.523 1.107 166 HB3 ASP 23 1HB ASP 23 4.597 10.899 1.471 167 H GLU 24 H GLU 24 5.305 9.225 2.354 168 HA GLU 24 HA GLU 24 7.771 8.282 1.079 169 HB2 GLU 24 2HB GLU 24 6.475 7.172 3.534 170 HB3 GLU 24 1HB GLU 24 7.270 6.069 2.419 171 HG2 GLU 24 2HG GLU 24 9.364 7.149 2.713 172 HG3 GLU 24 1HG GLU 24 8.621 8.483 3.596 173 H ASP 25 H ASP 25 6.319 8.657 -0.778 174 HA ASP 25 HA ASP 25 3.979 7.129 -1.197 175 HB2 ASP 25 2HB ASP 25 5.868 8.491 -3.123 176 HB3 ASP 25 1HB ASP 25 4.371 7.719 -3.630 177 H ALA 26 H ALA 26 3.626 5.284 -2.498 178 HA ALA 26 HA ALA 26 6.007 3.591 -2.925 179 HB1 ALA 26 1HB ALA 26 4.847 1.688 -2.181 180 HB2 ALA 26 2HB ALA 26 3.289 2.509 -2.247 181 HB3 ALA 26 3HB ALA 26 4.461 2.945 -1.006 182 H VAL 27 H VAL 27 5.430 1.675 -4.444 183 HA VAL 27 HA VAL 27 3.752 2.628 -6.671 184 HB VAL 27 HB VAL 27 5.419 1.519 -8.222 185 HG11 VAL 27 1HG1 VAL 27 5.311 3.885 -8.199 186 HG12 VAL 27 2HG1 VAL 27 7.020 3.463 -8.102 187 HG13 VAL 27 3HG1 VAL 27 6.159 3.976 -6.654 188 HG21 VAL 27 3HG2 VAL 27 6.687 0.167 -6.732 189 HG22 VAL 27 1HG2 VAL 27 7.074 1.547 -5.705 190 HG23 VAL 27 2HG2 VAL 27 7.771 1.427 -7.319 191 H CYS 28 H CYS 28 2.111 1.260 -6.919 192 HA CYS 28 HA CYS 28 1.933 -1.280 -5.812 193 HB2 CYS 28 2HB CYS 28 -0.055 -0.090 -6.345 194 HB3 CYS 28 1HB CYS 28 0.391 0.008 -8.053 195 H SER 29 H SER 29 1.915 -3.368 -6.713 196 HA SER 29 HA SER 29 3.808 -3.702 -8.917 197 HB2 SER 29 2HB SER 29 2.715 -5.807 -7.039 198 HB3 SER 29 1HB SER 29 4.088 -5.972 -8.134 199 HG SER 29 HG SER 29 5.272 -4.630 -6.865 200 H ILE 30 H ILE 30 0.482 -4.551 -8.011 201 HA ILE 30 HA ILE 30 -0.005 -6.270 -10.214 202 HB ILE 30 HB ILE 30 -1.811 -4.778 -8.327 203 HG12 ILE 30 2HG1 ILE 30 -2.441 -7.437 -8.199 204 HG13 ILE 30 1HG1 ILE 30 -0.720 -7.504 -8.601 205 HG21 ILE 30 1HG2 ILE 30 -3.729 -5.980 -9.359 206 HG22 ILE 30 2HG2 ILE 30 -2.666 -6.456 -10.683 207 HG23 ILE 30 3HG2 ILE 30 -3.017 -4.748 -10.405 208 HD11 ILE 30 3HD1 ILE 30 -2.064 -6.647 -6.127 209 HD12 ILE 30 1HD1 ILE 30 -0.669 -5.689 -6.620 210 HD13 ILE 30 2HD1 ILE 30 -0.502 -7.427 -6.367 211 H CYS 31 H CYS 31 -0.091 -2.803 -9.808 212 HA CYS 31 HA CYS 31 -0.668 -2.518 -12.654 213 HB2 CYS 31 2HB CYS 31 -2.460 -1.047 -12.380 214 HB3 CYS 31 1HB CYS 31 -2.749 -2.264 -11.131 215 H MET 32 H MET 32 0.415 -0.877 -13.647 216 HA MET 32 HA MET 32 2.351 0.586 -11.998 217 HB2 MET 32 2HB MET 32 2.597 -0.787 -14.416 218 HB3 MET 32 1HB MET 32 2.641 0.908 -14.880 219 HG2 MET 32 2HG MET 32 4.412 1.179 -13.063 220 HG3 MET 32 1HG MET 32 4.498 -0.583 -13.060 221 HE1 MET 32 3HE MET 32 6.725 1.781 -13.736 222 HE2 MET 32 1HE MET 32 5.642 2.692 -14.789 223 HE3 MET 32 2HE MET 32 7.097 1.946 -15.451 224 H ASP 33 H ASP 33 -0.265 1.504 -11.826 225 HA ASP 33 HA ASP 33 -1.555 3.364 -11.965 226 HB2 ASP 33 2HB ASP 33 1.041 4.715 -12.743 227 HB3 ASP 33 1HB ASP 33 -0.415 5.518 -12.142 228 H GLY 34 H GLY 34 -1.309 1.711 -14.358 229 HA2 GLY 34 2HA GLY 34 -1.362 3.589 -16.583 230 HA3 GLY 34 1HA GLY 34 -1.546 1.833 -16.682 231 H GLU 35 H GLU 35 -3.622 1.749 -14.623 232 HA GLU 35 HA GLU 35 -5.890 2.070 -16.288 233 HB2 GLU 35 2HB GLU 35 -7.168 1.560 -14.158 234 HB3 GLU 35 1HB GLU 35 -5.994 0.353 -14.662 235 HG2 GLU 35 2HG GLU 35 -4.491 0.939 -12.970 236 HG3 GLU 35 1HG GLU 35 -5.304 2.470 -12.657 237 H SER 36 H SER 36 -4.497 4.050 -13.723 238 HA SER 36 HA SER 36 -4.904 6.173 -13.033 239 HB2 SER 36 2HB SER 36 -5.728 6.151 -15.861 240 HB3 SER 36 1HB SER 36 -6.439 7.450 -14.905 241 HG SER 36 HG SER 36 -4.424 8.192 -14.418 242 H GLN 37 H GLN 37 -6.233 5.225 -11.345 243 HA GLN 37 HA GLN 37 -9.122 5.375 -11.718 244 HB2 GLN 37 2HB GLN 37 -7.652 3.571 -10.384 245 HB3 GLN 37 1HB GLN 37 -7.956 4.706 -9.065 246 HG2 GLN 37 2HG GLN 37 -10.339 4.472 -9.372 247 HG3 GLN 37 1HG GLN 37 -10.087 3.435 -10.773 248 HE21 GLN 37 1HE2 GLN 37 -10.672 3.495 -7.501 249 HE22 GLN 37 2HE2 GLN 37 -10.234 1.867 -7.119 250 H ASN 38 H ASN 38 -10.468 6.479 -10.112 251 HA ASN 38 HA ASN 38 -9.593 9.160 -9.705 252 HB2 ASN 38 2HB ASN 38 -11.797 9.495 -8.625 253 HB3 ASN 38 1HB ASN 38 -11.925 8.727 -10.203 254 HD21 ASN 38 1HD2 ASN 38 -13.082 6.919 -10.348 255 HD22 ASN 38 2HD2 ASN 38 -13.619 5.965 -9.012 256 H SER 39 H SER 39 -9.893 6.336 -7.617 257 HA SER 39 HA SER 39 -8.202 7.581 -5.641 258 HB2 SER 39 2HB SER 39 -10.502 8.371 -5.022 259 HB3 SER 39 1HB SER 39 -10.961 6.682 -4.782 260 HG SER 39 HG SER 39 -8.747 7.847 -3.452 261 H ASN 40 H ASN 40 -7.154 6.103 -4.327 262 HA ASN 40 HA ASN 40 -7.982 3.348 -4.204 263 HB2 ASN 40 2HB ASN 40 -5.780 2.525 -5.185 264 HB3 ASN 40 1HB ASN 40 -6.959 3.149 -6.333 265 HD21 ASN 40 1HD2 ASN 40 -4.089 4.065 -4.472 266 HD22 ASN 40 2HD2 ASN 40 -3.495 5.204 -5.626 267 H VAL 41 H VAL 41 -6.386 2.003 -2.959 268 HA VAL 41 HA VAL 41 -4.826 3.650 -1.081 269 HB VAL 41 HB VAL 41 -5.447 1.893 0.675 270 HG11 VAL 41 1HG1 VAL 41 -6.432 3.807 1.296 271 HG12 VAL 41 2HG1 VAL 41 -7.909 3.049 0.702 272 HG13 VAL 41 3HG1 VAL 41 -7.009 4.158 -0.333 273 HG21 VAL 41 3HG2 VAL 41 -7.449 0.641 0.393 274 HG22 VAL 41 1HG2 VAL 41 -6.440 0.319 -1.016 275 HG23 VAL 41 2HG2 VAL 41 -7.804 1.430 -1.145 276 H ILE 42 H ILE 42 -2.747 3.160 -1.303 277 HA ILE 42 HA ILE 42 -1.928 0.553 -2.290 278 HB ILE 42 HB ILE 42 -0.913 2.759 -3.053 279 HG12 ILE 42 2HG1 ILE 42 1.526 1.494 -2.443 280 HG13 ILE 42 1HG1 ILE 42 0.324 0.200 -2.535 281 HG21 ILE 42 1HG2 ILE 42 0.562 2.547 -0.435 282 HG22 ILE 42 2HG2 ILE 42 -0.644 3.766 -0.841 283 HG23 ILE 42 3HG2 ILE 42 0.880 3.707 -1.725 284 HD11 ILE 42 3HD1 ILE 42 -0.354 1.405 -4.752 285 HD12 ILE 42 1HD1 ILE 42 1.032 0.317 -4.704 286 HD13 ILE 42 2HD1 ILE 42 1.279 2.061 -4.649 287 H LEU 43 H LEU 43 -0.594 -0.909 -1.176 288 HA LEU 43 HA LEU 43 -0.417 -0.463 1.733 289 HB2 LEU 43 2HB LEU 43 -0.954 -3.034 0.249 290 HB3 LEU 43 1HB LEU 43 -0.651 -2.929 1.973 291 HG LEU 43 HG LEU 43 -2.929 -1.468 0.664 292 HD11 LEU 43 1HD1 LEU 43 -4.113 -3.543 1.921 293 HD12 LEU 43 2HD1 LEU 43 -2.657 -4.321 1.296 294 HD13 LEU 43 3HD1 LEU 43 -3.760 -3.496 0.193 295 HD21 LEU 43 3HD2 LEU 43 -2.654 -2.427 3.495 296 HD22 LEU 43 1HD2 LEU 43 -3.780 -1.240 2.841 297 HD23 LEU 43 2HD2 LEU 43 -2.066 -0.850 2.967 298 H PHE 44 H PHE 44 1.507 -0.745 2.668 299 HA PHE 44 HA PHE 44 3.691 -1.833 1.009 300 HB2 PHE 44 2HB PHE 44 3.510 0.679 2.115 301 HB3 PHE 44 1HB PHE 44 4.461 -0.185 3.317 302 HD1 PHE 44 1HD PHE 44 4.314 -0.016 -0.412 303 HD2 PHE 44 2HD PHE 44 6.721 0.089 3.098 304 HE1 PHE 44 1HE PHE 44 6.325 0.298 -1.800 305 HE2 PHE 44 2HE PHE 44 8.731 0.400 1.717 306 HZ PHE 44 HZ PHE 44 8.536 0.506 -0.735 307 H CYS 45 H CYS 45 5.017 -3.423 1.853 308 HA CYS 45 HA CYS 45 3.984 -4.918 4.042 309 HB2 CYS 45 2HB CYS 45 5.317 -5.831 2.075 310 HB3 CYS 45 1HB CYS 45 6.760 -5.220 2.900 311 H ASP 46 H ASP 46 5.003 -5.395 6.068 312 HA ASP 46 HA ASP 46 6.306 -3.044 7.186 313 HB2 ASP 46 2HB ASP 46 4.841 -5.380 8.336 314 HB3 ASP 46 1HB ASP 46 5.968 -4.484 9.364 315 H MET 47 H MET 47 7.289 -6.015 5.907 316 HA MET 47 HA MET 47 9.897 -5.703 7.230 317 HB2 MET 47 2HB MET 47 8.390 -7.753 7.952 318 HB3 MET 47 1HB MET 47 8.953 -8.431 6.424 319 HG2 MET 47 2HG MET 47 10.714 -9.169 7.549 320 HG3 MET 47 1HG MET 47 11.264 -7.494 7.600 321 HE1 MET 47 3HE MET 47 11.362 -10.277 9.165 322 HE2 MET 47 1HE MET 47 10.274 -10.405 10.547 323 HE3 MET 47 2HE MET 47 11.870 -9.681 10.745 324 H CYS 48 H CYS 48 8.377 -5.130 4.556 325 HA CYS 48 HA CYS 48 10.630 -5.703 2.837 326 HB2 CYS 48 2HB CYS 48 7.841 -6.562 2.049 327 HB3 CYS 48 1HB CYS 48 9.342 -6.844 1.180 328 H ASN 49 H ASN 49 9.641 -5.000 0.441 329 HA ASN 49 HA ASN 49 8.627 -2.267 0.824 330 HB2 ASN 49 2HB ASN 49 9.738 -1.778 -1.383 331 HB3 ASN 49 1HB ASN 49 10.847 -2.167 -0.061 332 HD21 ASN 49 1HD2 ASN 49 9.479 -3.235 -3.076 333 HD22 ASN 49 2HD2 ASN 49 10.582 -4.539 -3.343 334 H LEU 50 H LEU 50 7.477 -5.172 0.054 335 HA LEU 50 HA LEU 50 6.280 -5.047 -2.429 336 HB2 LEU 50 2HB LEU 50 6.304 -6.907 -0.588 337 HB3 LEU 50 1HB LEU 50 4.783 -6.168 -0.089 338 HG LEU 50 HG LEU 50 4.297 -8.033 -1.513 339 HD11 LEU 50 1HD1 LEU 50 2.965 -5.926 -1.774 340 HD12 LEU 50 2HD1 LEU 50 2.919 -7.021 -3.155 341 HD13 LEU 50 3HD1 LEU 50 3.931 -5.579 -3.209 342 HD21 LEU 50 3HD2 LEU 50 6.668 -7.633 -2.692 343 HD22 LEU 50 1HD2 LEU 50 5.611 -6.916 -3.909 344 HD23 LEU 50 2HD2 LEU 50 5.379 -8.592 -3.417 345 H ALA 51 H ALA 51 5.159 -3.400 -3.220 346 HA ALA 51 HA ALA 51 3.164 -2.104 -1.491 347 HB1 ALA 51 1HB ALA 51 5.243 -0.899 -2.773 348 HB2 ALA 51 2HB ALA 51 3.760 -0.088 -2.273 349 HB3 ALA 51 3HB ALA 51 3.930 -0.671 -3.927 350 H VAL 52 H VAL 52 1.162 -2.861 -1.941 351 HA VAL 52 HA VAL 52 0.285 -2.868 -4.731 352 HB VAL 52 HB VAL 52 -0.856 -5.086 -4.432 353 HG11 VAL 52 1HG1 VAL 52 2.153 -4.988 -4.430 354 HG12 VAL 52 2HG1 VAL 52 1.072 -4.995 -5.823 355 HG13 VAL 52 3HG1 VAL 52 1.217 -6.432 -4.812 356 HG21 VAL 52 3HG2 VAL 52 -0.260 -4.880 -1.821 357 HG22 VAL 52 1HG2 VAL 52 1.084 -5.886 -2.357 358 HG23 VAL 52 2HG2 VAL 52 -0.574 -6.415 -2.629 359 H HIS 53 H HIS 53 -1.791 -2.149 -4.959 360 HA HIS 53 HA HIS 53 -3.165 -1.080 -2.729 361 HB2 HIS 53 2HB HIS 53 -4.368 -1.779 -5.419 362 HB3 HIS 53 1HB HIS 53 -5.032 -0.667 -4.239 363 HD2 HIS 53 2HD HIS 53 -3.462 1.740 -3.917 364 HE1 HIS 53 1HE HIS 53 -1.818 1.332 -7.797 365 HE2 HIS 53 2HE HIS 53 -2.038 2.853 -5.778 366 H GLN 54 H GLN 54 -4.931 -1.842 -1.541 367 HA GLN 54 HA GLN 54 -5.112 -4.625 -1.141 368 HB2 GLN 54 2HB GLN 54 -7.223 -4.033 0.157 369 HB3 GLN 54 1HB GLN 54 -5.723 -3.303 0.702 370 HG2 GLN 54 2HG GLN 54 -6.458 -1.237 0.323 371 HG3 GLN 54 1HG GLN 54 -7.152 -1.671 -1.246 372 HE21 GLN 54 1HE2 GLN 54 -7.872 -2.939 1.990 373 HE22 GLN 54 2HE2 GLN 54 -9.535 -2.474 1.986 374 H GLU 55 H GLU 55 -6.651 -2.585 -3.446 375 HA GLU 55 HA GLU 55 -8.802 -4.477 -3.982 376 HB2 GLU 55 2HB GLU 55 -8.077 -1.855 -5.311 377 HB3 GLU 55 1HB GLU 55 -9.475 -2.839 -5.725 378 HG2 GLU 55 2HG GLU 55 -8.959 -1.485 -3.087 379 HG3 GLU 55 1HG GLU 55 -10.137 -1.004 -4.309 380 H CYS 56 H CYS 56 -5.663 -3.626 -5.027 381 HA CYS 56 HA CYS 56 -5.793 -4.847 -7.618 382 HB2 CYS 56 2HB CYS 56 -4.004 -3.169 -6.121 383 HB3 CYS 56 1HB CYS 56 -3.127 -4.538 -6.743 384 H TYR 57 H TYR 57 -4.488 -5.634 -4.420 385 HA TYR 57 HA TYR 57 -3.466 -8.177 -5.289 386 HB2 TYR 57 2HB TYR 57 -2.508 -6.686 -3.430 387 HB3 TYR 57 1HB TYR 57 -3.808 -7.320 -2.426 388 HD1 TYR 57 2HD TYR 57 -1.266 -8.704 -4.803 389 HD2 TYR 57 1HD TYR 57 -3.197 -9.042 -1.026 390 HE1 TYR 57 2HE TYR 57 0.110 -10.671 -4.283 391 HE2 TYR 57 1HE TYR 57 -1.823 -11.012 -0.496 392 HH TYR 57 HH TYR 57 0.926 -11.856 -2.222 393 H GLY 58 H GLY 58 -6.398 -6.986 -3.832 394 HA2 GLY 58 2HA GLY 58 -8.439 -8.191 -3.909 395 HA3 GLY 58 1HA GLY 58 -7.517 -9.696 -3.971 396 H VAL 59 H VAL 59 -6.883 -7.106 -1.679 397 HA VAL 59 HA VAL 59 -7.134 -8.914 0.534 398 HB VAL 59 HB VAL 59 -6.779 -5.913 0.626 399 HG11 VAL 59 1HG1 VAL 59 -6.196 -6.124 2.834 400 HG12 VAL 59 2HG1 VAL 59 -5.716 -7.812 2.661 401 HG13 VAL 59 3HG1 VAL 59 -7.425 -7.380 2.699 402 HG21 VAL 59 3HG2 VAL 59 -4.425 -7.629 1.014 403 HG22 VAL 59 1HG2 VAL 59 -4.586 -6.100 0.153 404 HG23 VAL 59 2HG2 VAL 59 -5.064 -7.606 -0.628 405 HA PRO 60 HA PRO 60 -11.500 -8.164 1.111 406 HB2 PRO 60 2HB PRO 60 -11.778 -9.505 3.462 407 HB3 PRO 60 1HB PRO 60 -11.658 -10.309 1.890 408 HG2 PRO 60 2HG PRO 60 -9.546 -9.878 3.966 409 HG3 PRO 60 1HG PRO 60 -9.878 -11.319 2.987 410 HD2 PRO 60 2HD PRO 60 -7.881 -9.578 2.406 411 HD3 PRO 60 1HD PRO 60 -8.754 -10.489 1.158 412 H TYR 61 H TYR 61 -9.344 -7.781 3.949 413 HA TYR 61 HA TYR 61 -10.710 -5.254 4.539 414 HB2 TYR 61 2HB TYR 61 -10.906 -7.651 6.107 415 HB3 TYR 61 1HB TYR 61 -10.033 -6.423 7.035 416 HD1 TYR 61 1HD TYR 61 -11.435 -3.957 6.037 417 HD2 TYR 61 2HD TYR 61 -12.952 -7.751 7.214 418 HE1 TYR 61 1HE TYR 61 -13.573 -2.908 6.643 419 HE2 TYR 61 2HE TYR 61 -15.097 -6.713 7.822 420 HH TYR 61 HH TYR 61 -16.377 -4.584 7.126 421 H ILE 62 H ILE 62 -9.425 -4.211 6.538 422 HA ILE 62 HA ILE 62 -6.553 -4.479 5.918 423 HB ILE 62 HB ILE 62 -7.922 -1.893 6.659 424 HG12 ILE 62 2HG1 ILE 62 -6.873 -2.674 3.935 425 HG13 ILE 62 1HG1 ILE 62 -8.564 -2.844 4.389 426 HG21 ILE 62 1HG2 ILE 62 -5.668 -1.076 5.592 427 HG22 ILE 62 2HG2 ILE 62 -5.117 -2.688 6.046 428 HG23 ILE 62 3HG2 ILE 62 -5.734 -1.588 7.278 429 HD11 ILE 62 3HD1 ILE 62 -8.083 -0.253 5.052 430 HD12 ILE 62 1HD1 ILE 62 -8.771 -0.799 3.524 431 HD13 ILE 62 2HD1 ILE 62 -7.042 -0.468 3.642 432 HA PRO 63 HA PRO 63 -6.597 -5.345 10.354 433 HB2 PRO 63 2HB PRO 63 -4.035 -6.230 10.474 434 HB3 PRO 63 1HB PRO 63 -5.375 -7.234 9.886 435 HG2 PRO 63 2HG PRO 63 -3.345 -5.673 8.325 436 HG3 PRO 63 1HG PRO 63 -3.949 -7.316 8.044 437 HD2 PRO 63 2HD PRO 63 -4.847 -5.179 6.649 438 HD3 PRO 63 1HD PRO 63 -5.883 -6.569 7.036 439 H GLU 64 H GLU 64 -5.349 -4.583 12.206 440 HA GLU 64 HA GLU 64 -4.024 -2.012 11.650 441 HB2 GLU 64 2HB GLU 64 -5.884 -2.921 13.784 442 HB3 GLU 64 1HB GLU 64 -4.637 -1.767 14.240 443 HG2 GLU 64 2HG GLU 64 -6.113 -1.103 11.789 444 HG3 GLU 64 1HG GLU 64 -7.066 -1.097 13.273 445 H GLY 65 H GLY 65 -2.685 -4.622 11.646 446 HA2 GLY 65 2HA GLY 65 -0.802 -4.138 13.872 447 HA3 GLY 65 1HA GLY 65 -1.249 -5.760 13.366 448 H GLN 66 H GLN 66 0.432 -6.675 12.382 449 HA GLN 66 HA GLN 66 2.161 -5.020 10.683 450 HB2 GLN 66 2HB GLN 66 2.578 -7.764 11.876 451 HB3 GLN 66 1HB GLN 66 3.714 -6.982 10.789 452 HG2 GLN 66 2HG GLN 66 3.423 -5.055 12.657 453 HG3 GLN 66 1HG GLN 66 3.176 -6.500 13.637 454 HE21 GLN 66 1HE2 GLN 66 5.427 -4.659 11.755 455 HE22 GLN 66 2HE2 GLN 66 6.842 -5.544 12.199 456 H TRP 67 H TRP 67 2.599 -5.528 8.553 457 HA TRP 67 HA TRP 67 0.812 -7.528 7.334 458 HB2 TRP 67 2HB TRP 67 0.511 -5.002 6.810 459 HB3 TRP 67 1HB TRP 67 1.958 -5.192 5.827 460 HD1 TRP 67 HD TRP 67 -1.145 -7.510 6.135 461 HE1 TRP 67 1HE TRP 67 -2.062 -7.921 3.768 462 HE3 TRP 67 3HE TRP 67 2.068 -4.537 3.485 463 HZ2 TRP 67 2HZ TRP 67 -1.501 -7.095 1.127 464 HZ3 TRP 67 3HZ TRP 67 1.809 -4.406 1.044 465 HH2 TRP 67 HH TRP 67 0.061 -5.660 -0.108 466 H LEU 68 H LEU 68 1.835 -9.265 6.619 467 HA LEU 68 HA LEU 68 4.594 -8.983 5.600 468 HB2 LEU 68 2HB LEU 68 3.263 -11.277 7.041 469 HB3 LEU 68 1HB LEU 68 4.735 -11.486 6.115 470 HG LEU 68 HG LEU 68 5.005 -11.234 8.617 471 HD11 LEU 68 1HD1 LEU 68 6.861 -10.977 7.058 472 HD12 LEU 68 2HD1 LEU 68 7.007 -9.860 8.417 473 HD13 LEU 68 3HD1 LEU 68 6.455 -9.272 6.849 474 HD21 LEU 68 3HD2 LEU 68 4.675 -8.294 8.165 475 HD22 LEU 68 1HD2 LEU 68 4.739 -9.189 9.683 476 HD23 LEU 68 2HD2 LEU 68 3.309 -9.293 8.657 477 H CYS 69 H CYS 69 4.462 -8.961 3.419 478 HA CYS 69 HA CYS 69 2.384 -9.980 1.878 479 HB2 CYS 69 2HB CYS 69 3.884 -9.731 -0.054 480 HB3 CYS 69 1HB CYS 69 3.972 -8.327 1.015 481 H ARG 70 H ARG 70 2.472 -11.758 0.300 482 HA ARG 70 HA ARG 70 2.700 -14.224 1.476 483 HB2 ARG 70 2HB ARG 70 2.632 -13.338 -1.372 484 HB3 ARG 70 1HB ARG 70 2.911 -15.035 -1.009 485 HG2 ARG 70 2HG ARG 70 0.579 -13.548 0.150 486 HG3 ARG 70 1HG ARG 70 0.511 -14.280 -1.453 487 HD2 ARG 70 2HD ARG 70 1.583 -16.145 0.461 488 HD3 ARG 70 1HD ARG 70 0.034 -15.516 1.017 489 HE ARG 70 HE ARG 70 0.481 -17.311 -1.163 490 HH11 ARG 70 1HH1 ARG 70 -1.658 -14.801 0.020 491 HH12 ARG 70 2HH1 ARG 70 -3.024 -15.372 -0.875 492 HH21 ARG 70 1HH2 ARG 70 -1.325 -18.053 -2.346 493 HH22 ARG 70 2HH2 ARG 70 -2.835 -17.218 -2.218 494 H HIS 71 H HIS 71 5.327 -12.385 0.060 495 HA HIS 71 HA HIS 71 7.036 -14.636 -0.363 496 HB2 HIS 71 2HB HIS 71 7.258 -11.704 -0.575 497 HB3 HIS 71 1HB HIS 71 8.753 -12.530 -0.148 498 HD1 HIS 71 1HD HIS 71 7.783 -11.111 -2.962 499 HD2 HIS 71 2HD HIS 71 8.375 -15.143 -2.143 500 HE1 HIS 71 1HE HIS 71 8.215 -12.196 -5.191 501 HE2 HIS 71 2HE HIS 71 8.492 -14.647 -4.678 502 H CYS 72 H CYS 72 6.767 -12.171 2.171 503 HA CYS 72 HA CYS 72 8.852 -13.414 3.719 504 HB2 CYS 72 2HB CYS 72 8.359 -11.667 5.362 505 HB3 CYS 72 1HB CYS 72 8.655 -11.026 3.736 506 H LEU 73 H LEU 73 5.314 -13.040 4.039 507 HA LEU 73 HA LEU 73 5.071 -14.368 6.494 508 HB2 LEU 73 2HB LEU 73 2.763 -14.575 6.059 509 HB3 LEU 73 1HB LEU 73 3.264 -13.074 5.311 510 HG LEU 73 HG LEU 73 3.439 -14.489 3.136 511 HD11 LEU 73 1HD1 LEU 73 2.102 -16.340 5.012 512 HD12 LEU 73 2HD1 LEU 73 3.099 -16.677 3.597 513 HD13 LEU 73 3HD1 LEU 73 1.411 -16.212 3.395 514 HD21 LEU 73 3HD2 LEU 73 0.772 -14.311 3.068 515 HD22 LEU 73 1HD2 LEU 73 1.830 -12.907 2.960 516 HD23 LEU 73 2HD2 LEU 73 1.086 -13.331 4.499 517 H GLN 74 H GLN 74 5.710 -15.545 3.304 518 HA GLN 74 HA GLN 74 5.032 -18.293 3.935 519 HB2 GLN 74 2HB GLN 74 4.737 -17.497 1.647 520 HB3 GLN 74 1HB GLN 74 6.443 -17.081 1.550 521 HG2 GLN 74 2HG GLN 74 6.155 -19.830 2.297 522 HG3 GLN 74 1HG GLN 74 5.210 -19.496 0.847 523 HE21 GLN 74 1HE2 GLN 74 6.253 -18.908 -1.041 524 HE22 GLN 74 2HE2 GLN 74 7.961 -19.059 -1.246 525 H SER 75 H SER 75 7.891 -16.253 3.703 526 HA SER 75 HA SER 75 9.916 -18.143 3.829 527 HB2 SER 75 2HB SER 75 10.301 -15.725 3.482 528 HB3 SER 75 1HB SER 75 9.869 -15.419 5.164 529 HG SER 75 HG SER 75 11.693 -16.480 5.823 530 H ARG 76 H ARG 76 8.282 -16.501 6.548 531 HA ARG 76 HA ARG 76 9.598 -18.151 8.506 532 HB2 ARG 76 2HB ARG 76 8.932 -15.829 9.011 533 HB3 ARG 76 1HB ARG 76 7.243 -16.283 8.833 534 HG2 ARG 76 2HG ARG 76 7.419 -17.788 10.731 535 HG3 ARG 76 1HG ARG 76 9.135 -17.410 10.892 536 HD2 ARG 76 2HD ARG 76 8.713 -15.535 12.019 537 HD3 ARG 76 1HD ARG 76 7.486 -15.021 10.862 538 HE ARG 76 HE ARG 76 6.167 -16.896 12.231 539 HH11 ARG 76 1HH1 ARG 76 8.149 -14.233 13.360 540 HH12 ARG 76 2HH1 ARG 76 7.271 -14.050 14.839 541 HH21 ARG 76 1HH2 ARG 76 5.015 -16.640 14.179 542 HH22 ARG 76 2HH2 ARG 76 5.495 -15.415 15.305 543 H ALA 77 H ALA 77 6.547 -18.214 6.785 544 HA ALA 77 HA ALA 77 5.094 -19.938 8.437 545 HB1 ALA 77 1HB ALA 77 3.899 -20.571 6.285 546 HB2 ALA 77 2HB ALA 77 5.006 -19.463 5.472 547 HB3 ALA 77 3HB ALA 77 3.911 -18.861 6.714 548 H ARG 78 H ARG 78 7.721 -20.594 6.227 549 HA ARG 78 HA ARG 78 7.281 -23.367 5.897 550 HB2 ARG 78 2HB ARG 78 9.274 -21.454 5.110 551 HB3 ARG 78 1HB ARG 78 10.072 -22.874 5.770 552 HG2 ARG 78 2HG ARG 78 7.902 -23.205 3.748 553 HG3 ARG 78 1HG ARG 78 9.526 -22.745 3.236 554 HD2 ARG 78 2HD ARG 78 9.237 -25.039 5.109 555 HD3 ARG 78 1HD ARG 78 8.783 -25.282 3.422 556 HE ARG 78 HE ARG 78 11.293 -24.082 3.436 557 HH11 ARG 78 1HH1 ARG 78 9.848 -27.096 4.486 558 HH12 ARG 78 2HH1 ARG 78 11.303 -28.009 4.273 559 HH21 ARG 78 1HH2 ARG 78 13.211 -25.300 3.159 560 HH22 ARG 78 2HH2 ARG 78 13.207 -26.993 3.523 561 HA PRO 79 HA PRO 79 10.469 -24.121 9.443 562 HB2 PRO 79 2HB PRO 79 11.243 -21.979 10.942 563 HB3 PRO 79 1HB PRO 79 12.116 -22.537 9.511 564 HG2 PRO 79 2HG PRO 79 10.166 -20.287 9.785 565 HG3 PRO 79 1HG PRO 79 11.690 -20.345 8.880 566 HD2 PRO 79 2HD PRO 79 9.281 -20.621 7.685 567 HD3 PRO 79 1HD PRO 79 10.736 -21.449 7.098 568 H ALA 80 H ALA 80 8.366 -21.338 10.247 569 HA ALA 80 HA ALA 80 7.335 -22.895 12.534 570 HB1 ALA 80 1HB ALA 80 8.618 -20.637 12.886 571 HB2 ALA 80 2HB ALA 80 7.170 -20.996 13.824 572 HB3 ALA 80 3HB ALA 80 7.074 -19.922 12.427 Start of MODEL 20 1 H1 ALA 1 1HT ALA 1 -3.026 -2.091 8.616 2 H2 ALA 1 2HT ALA 1 -1.746 -1.475 9.580 3 H3 ALA 1 3HT ALA 1 -1.893 -3.165 9.326 4 HA ALA 1 HA ALA 1 -0.168 -2.385 7.987 5 HB1 ALA 1 2HB ALA 1 -1.006 -2.992 5.764 6 HB2 ALA 1 3HB ALA 1 -2.661 -2.849 6.353 7 HB3 ALA 1 1HB ALA 1 -1.595 -4.092 7.010 8 H ARG 2 H ARG 2 0.842 -0.648 7.213 9 HA ARG 2 HA ARG 2 -0.359 1.890 7.133 10 HB2 ARG 2 2HB ARG 2 2.275 0.749 6.417 11 HB3 ARG 2 1HB ARG 2 1.858 2.264 5.627 12 HG2 ARG 2 2HG ARG 2 1.624 3.385 7.712 13 HG3 ARG 2 1HG ARG 2 1.717 1.869 8.608 14 HD2 ARG 2 2HD ARG 2 3.894 3.348 7.176 15 HD3 ARG 2 1HD ARG 2 3.837 2.822 8.856 16 HE ARG 2 HE ARG 2 4.395 0.644 8.180 17 HH11 ARG 2 1HH1 ARG 2 4.192 2.835 5.440 18 HH12 ARG 2 2HH1 ARG 2 5.046 1.772 4.375 19 HH21 ARG 2 1HH2 ARG 2 5.502 -0.746 6.763 20 HH22 ARG 2 2HH2 ARG 2 5.784 -0.265 5.124 21 H THR 3 H THR 3 -1.740 2.673 5.710 22 HA THR 3 HA THR 3 -1.539 1.806 2.900 23 HB THR 3 HB THR 3 -4.121 2.728 4.128 24 HG1 THR 3 1HG THR 3 -3.650 1.042 5.442 25 HG21 THR 3 3HG2 THR 3 -5.037 1.078 2.470 26 HG22 THR 3 1HG2 THR 3 -3.411 0.986 1.792 27 HG23 THR 3 2HG2 THR 3 -4.280 2.520 1.795 28 H LYS 4 H LYS 4 -1.560 3.344 1.342 29 HA LYS 4 HA LYS 4 -1.722 6.146 2.233 30 HB2 LYS 4 2HB LYS 4 0.234 4.771 0.673 31 HB3 LYS 4 1HB LYS 4 -0.563 5.940 -0.371 32 HG2 LYS 4 2HG LYS 4 -0.119 7.654 1.440 33 HG3 LYS 4 1HG LYS 4 0.938 6.450 2.179 34 HD2 LYS 4 2HD LYS 4 2.540 6.700 0.606 35 HD3 LYS 4 1HD LYS 4 1.371 6.921 -0.697 36 HE2 LYS 4 2HE LYS 4 1.909 9.083 -0.663 37 HE3 LYS 4 1HE LYS 4 1.052 9.179 0.873 38 HZ1 LYS 4 3HZ LYS 4 3.792 8.247 1.042 39 HZ2 LYS 4 1HZ LYS 4 2.959 9.347 2.022 40 HZ3 LYS 4 2HZ LYS 4 3.615 9.852 0.547 41 H GLN 5 H GLN 5 -3.506 7.192 1.634 42 HA GLN 5 HA GLN 5 -4.994 6.196 -0.699 43 HB2 GLN 5 2HB GLN 5 -6.122 6.169 1.546 44 HB3 GLN 5 1HB GLN 5 -6.046 7.926 1.543 45 HG2 GLN 5 2HG GLN 5 -7.488 8.061 -0.347 46 HG3 GLN 5 1HG GLN 5 -7.410 6.320 -0.604 47 HE21 GLN 5 1HE2 GLN 5 -9.739 6.424 -0.554 48 HE22 GLN 5 2HE2 GLN 5 -10.563 6.427 0.964 49 H THR 6 H THR 6 -5.427 7.463 -2.397 50 HA THR 6 HA THR 6 -4.869 10.340 -2.209 51 HB THR 6 HB THR 6 -3.800 10.209 -4.479 52 HG1 THR 6 1HG THR 6 -4.510 8.218 -5.177 53 HG21 THR 6 3HG2 THR 6 -2.611 9.188 -2.007 54 HG22 THR 6 1HG2 THR 6 -2.042 10.431 -3.119 55 HG23 THR 6 2HG2 THR 6 -1.769 8.727 -3.485 56 H ALA 7 H ALA 7 -6.761 11.280 -2.604 57 HA ALA 7 HA ALA 7 -8.576 10.096 -4.583 58 HB1 ALA 7 1HB ALA 7 -9.401 10.576 -2.264 59 HB2 ALA 7 2HB ALA 7 -10.339 11.327 -3.554 60 HB3 ALA 7 3HB ALA 7 -9.200 12.292 -2.616 61 H ARG 8 H ARG 8 -8.922 11.029 -6.495 62 HA ARG 8 HA ARG 8 -8.855 12.480 -8.239 63 HB2 ARG 8 2HB ARG 8 -9.688 13.993 -6.023 64 HB3 ARG 8 1HB ARG 8 -8.484 14.977 -6.842 65 HG2 ARG 8 2HG ARG 8 -9.759 15.229 -8.717 66 HG3 ARG 8 1HG ARG 8 -10.604 13.698 -8.481 67 HD2 ARG 8 2HD ARG 8 -10.973 16.136 -6.755 68 HD3 ARG 8 1HD ARG 8 -12.023 15.705 -8.103 69 HE ARG 8 HE ARG 8 -12.038 13.483 -6.545 70 HH11 ARG 8 1HH1 ARG 8 -12.675 16.864 -5.917 71 HH12 ARG 8 2HH1 ARG 8 -13.809 16.544 -4.649 72 HH21 ARG 8 1HH2 ARG 8 -13.535 13.063 -4.872 73 HH22 ARG 8 2HH2 ARG 8 -14.297 14.386 -4.056 74 H LYS 9 H LYS 9 -7.516 14.529 -9.071 75 HA LYS 9 HA LYS 9 -4.698 13.922 -8.483 76 HB2 LYS 9 2HB LYS 9 -4.172 14.704 -10.733 77 HB3 LYS 9 1HB LYS 9 -5.361 13.412 -10.784 78 HG2 LYS 9 2HG LYS 9 -7.118 15.251 -10.943 79 HG3 LYS 9 1HG LYS 9 -5.771 16.344 -11.269 80 HD2 LYS 9 2HD LYS 9 -5.466 15.547 -13.352 81 HD3 LYS 9 1HD LYS 9 -5.759 13.877 -12.862 82 HE2 LYS 9 2HE LYS 9 -8.073 14.091 -13.073 83 HE3 LYS 9 1HE LYS 9 -8.008 15.852 -13.025 84 HZ1 LYS 9 3HZ LYS 9 -7.570 14.035 -15.265 85 HZ2 LYS 9 1HZ LYS 9 -6.605 15.426 -15.217 86 HZ3 LYS 9 2HZ LYS 9 -8.289 15.565 -15.238 87 H SER 10 H SER 10 -7.047 16.512 -8.843 88 HA SER 10 HA SER 10 -4.998 18.484 -8.112 89 HB2 SER 10 2HB SER 10 -7.726 19.396 -8.839 90 HB3 SER 10 1HB SER 10 -6.157 20.069 -9.278 91 HG SER 10 HG SER 10 -7.682 18.122 -10.545 92 H THR 11 H THR 11 -5.313 19.900 -6.375 93 HA THR 11 HA THR 11 -7.566 19.303 -4.586 94 HB THR 11 HB THR 11 -5.656 18.050 -3.741 95 HG1 THR 11 1HG THR 11 -6.127 20.338 -2.133 96 HG21 THR 11 3HG2 THR 11 -3.614 18.966 -3.064 97 HG22 THR 11 1HG2 THR 11 -4.186 20.620 -3.277 98 HG23 THR 11 2HG2 THR 11 -3.892 19.601 -4.685 99 H GLY 12 H GLY 12 -4.900 21.565 -5.313 100 HA2 GLY 12 2HA GLY 12 -5.860 23.896 -5.717 101 HA3 GLY 12 1HA GLY 12 -6.506 23.717 -4.093 102 H GLY 13 H GLY 13 -5.404 25.175 -2.910 103 HA2 GLY 13 2HA GLY 13 -2.945 24.778 -1.854 104 HA3 GLY 13 1HA GLY 13 -2.580 25.632 -3.343 105 H SER 14 H SER 14 -4.029 25.859 -0.175 106 HA SER 14 HA SER 14 -4.078 28.793 -0.466 107 HB2 SER 14 2HB SER 14 -5.972 28.934 0.992 108 HB3 SER 14 1HB SER 14 -6.356 27.731 -0.237 109 HG SER 14 HG SER 14 -6.208 26.155 1.230 110 H SER 15 H SER 15 -3.735 26.146 1.905 111 HA SER 15 HA SER 15 -2.407 27.911 3.782 112 HB2 SER 15 2HB SER 15 -3.461 25.132 3.849 113 HB3 SER 15 1HB SER 15 -2.122 25.505 4.936 114 HG SER 15 HG SER 15 -4.709 26.605 4.855 115 H GLY 16 H GLY 16 -1.533 25.021 1.873 116 HA2 GLY 16 2HA GLY 16 0.684 25.206 0.746 117 HA3 GLY 16 1HA GLY 16 1.301 25.751 2.297 118 H SER 17 H SER 17 2.067 23.455 0.607 119 HA SER 17 HA SER 17 2.794 21.324 0.881 120 HB2 SER 17 2HB SER 17 2.889 22.451 3.444 121 HB3 SER 17 1HB SER 17 2.108 20.886 3.665 122 HG SER 17 HG SER 17 3.877 19.916 2.645 123 H SER 18 H SER 18 1.290 20.293 -0.380 124 HA SER 18 HA SER 18 -1.067 19.198 1.006 125 HB2 SER 18 2HB SER 18 -2.161 19.086 -1.185 126 HB3 SER 18 1HB SER 18 -1.616 20.729 -0.846 127 HG SER 18 HG SER 18 0.050 20.473 -2.273 128 H GLN 19 H GLN 19 1.814 18.131 0.654 129 HA GLN 19 HA GLN 19 1.008 15.397 0.136 130 HB2 GLN 19 2HB GLN 19 1.877 16.759 -2.024 131 HB3 GLN 19 1HB GLN 19 3.415 16.179 -1.400 132 HG2 GLN 19 2HG GLN 19 3.029 14.091 -2.064 133 HG3 GLN 19 1HG GLN 19 1.363 14.115 -1.485 134 HE21 GLN 19 1HE2 GLN 19 3.033 16.089 -3.922 135 HE22 GLN 19 2HE2 GLN 19 1.969 15.685 -5.222 136 H SER 20 H SER 20 2.240 17.160 2.306 137 HA SER 20 HA SER 20 3.742 16.952 3.996 138 HB2 SER 20 2HB SER 20 2.832 14.465 3.604 139 HB3 SER 20 1HB SER 20 4.523 14.196 3.183 140 HG SER 20 HG SER 20 3.534 14.240 5.571 141 H LEU 21 H LEU 21 6.147 15.793 4.337 142 HA LEU 21 HA LEU 21 7.791 16.497 2.013 143 HB2 LEU 21 2HB LEU 21 7.945 17.670 4.763 144 HB3 LEU 21 1HB LEU 21 9.404 17.512 3.801 145 HG LEU 21 HG LEU 21 7.692 18.725 2.033 146 HD11 LEU 21 1HD1 LEU 21 7.279 20.394 4.433 147 HD12 LEU 21 2HD1 LEU 21 6.271 18.954 4.293 148 HD13 LEU 21 3HD1 LEU 21 6.258 20.167 3.014 149 HD21 LEU 21 3HD2 LEU 21 9.091 20.609 2.259 150 HD22 LEU 21 1HD2 LEU 21 10.097 19.219 2.667 151 HD23 LEU 21 2HD2 LEU 21 9.447 20.242 3.946 152 H ILE 22 H ILE 22 7.778 15.097 5.293 153 HA ILE 22 HA ILE 22 10.127 13.501 4.726 154 HB ILE 22 HB ILE 22 8.329 13.243 7.135 155 HG12 ILE 22 2HG1 ILE 22 8.972 15.588 6.962 156 HG13 ILE 22 1HG1 ILE 22 9.874 14.820 8.276 157 HG21 ILE 22 1HG2 ILE 22 11.239 12.863 7.350 158 HG22 ILE 22 2HG2 ILE 22 10.391 11.671 6.366 159 HG23 ILE 22 3HG2 ILE 22 9.914 11.928 8.042 160 HD11 ILE 22 3HD1 ILE 22 11.147 16.399 6.753 161 HD12 ILE 22 1HD1 ILE 22 11.028 15.141 5.523 162 HD13 ILE 22 2HD1 ILE 22 11.866 14.816 7.041 163 H ASP 23 H ASP 23 6.673 13.129 4.619 164 HA ASP 23 HA ASP 23 6.348 10.384 4.868 165 HB2 ASP 23 2HB ASP 23 4.664 12.419 4.426 166 HB3 ASP 23 1HB ASP 23 4.745 11.787 2.787 167 H GLU 24 H GLU 24 6.450 8.642 3.480 168 HA GLU 24 HA GLU 24 7.762 9.130 0.886 169 HB2 GLU 24 2HB GLU 24 8.921 7.838 2.929 170 HB3 GLU 24 1HB GLU 24 8.064 6.485 2.204 171 HG2 GLU 24 2HG GLU 24 9.153 7.374 -0.004 172 HG3 GLU 24 1HG GLU 24 10.293 8.125 1.112 173 H ASP 25 H ASP 25 6.713 8.468 -0.873 174 HA ASP 25 HA ASP 25 4.220 7.021 -0.621 175 HB2 ASP 25 2HB ASP 25 5.646 8.123 -3.053 176 HB3 ASP 25 1HB ASP 25 4.034 7.418 -3.069 177 H ALA 26 H ALA 26 3.870 5.400 -2.634 178 HA ALA 26 HA ALA 26 6.152 3.564 -2.835 179 HB1 ALA 26 1HB ALA 26 3.389 2.687 -1.994 180 HB2 ALA 26 2HB ALA 26 4.785 2.825 -0.924 181 HB3 ALA 26 3HB ALA 26 4.794 1.648 -2.237 182 H VAL 27 H VAL 27 5.529 1.664 -4.364 183 HA VAL 27 HA VAL 27 3.831 2.643 -6.562 184 HB VAL 27 HB VAL 27 5.459 1.664 -8.183 185 HG11 VAL 27 1HG1 VAL 27 5.383 4.139 -7.165 186 HG12 VAL 27 2HG1 VAL 27 6.523 3.646 -8.418 187 HG13 VAL 27 3HG1 VAL 27 7.034 3.700 -6.732 188 HG21 VAL 27 3HG2 VAL 27 6.803 0.912 -5.710 189 HG22 VAL 27 1HG2 VAL 27 7.870 1.736 -6.847 190 HG23 VAL 27 2HG2 VAL 27 7.003 0.283 -7.344 191 H CYS 28 H CYS 28 2.211 1.260 -6.833 192 HA CYS 28 HA CYS 28 2.078 -1.297 -5.746 193 HB2 CYS 28 2HB CYS 28 0.055 -0.159 -6.215 194 HB3 CYS 28 1HB CYS 28 0.477 0.034 -7.921 195 H SER 29 H SER 29 2.090 -3.368 -6.666 196 HA SER 29 HA SER 29 3.921 -3.638 -8.934 197 HB2 SER 29 2HB SER 29 3.978 -4.862 -6.522 198 HB3 SER 29 1HB SER 29 3.063 -6.051 -7.446 199 HG SER 29 HG SER 29 5.225 -6.523 -7.669 200 H ILE 30 H ILE 30 0.648 -4.555 -7.914 201 HA ILE 30 HA ILE 30 0.139 -6.311 -10.084 202 HB ILE 30 HB ILE 30 -1.660 -4.839 -8.173 203 HG12 ILE 30 2HG1 ILE 30 -2.139 -7.590 -8.099 204 HG13 ILE 30 1HG1 ILE 30 -0.387 -7.453 -8.310 205 HG21 ILE 30 1HG2 ILE 30 -2.909 -4.906 -10.230 206 HG22 ILE 30 2HG2 ILE 30 -3.560 -6.121 -9.127 207 HG23 ILE 30 3HG2 ILE 30 -2.512 -6.612 -10.460 208 HD11 ILE 30 3HD1 ILE 30 -2.089 -6.741 -6.011 209 HD12 ILE 30 1HD1 ILE 30 -0.743 -5.657 -6.356 210 HD13 ILE 30 2HD1 ILE 30 -0.442 -7.369 -6.060 211 H CYS 31 H CYS 31 0.049 -2.844 -9.754 212 HA CYS 31 HA CYS 31 -0.587 -2.600 -12.582 213 HB2 CYS 31 2HB CYS 31 -2.481 -1.266 -12.334 214 HB3 CYS 31 1HB CYS 31 -2.691 -2.466 -11.054 215 H MET 32 H MET 32 -0.228 -0.373 -13.398 216 HA MET 32 HA MET 32 1.981 0.905 -11.933 217 HB2 MET 32 2HB MET 32 1.246 1.134 -14.862 218 HB3 MET 32 1HB MET 32 2.639 1.875 -14.090 219 HG2 MET 32 2HG MET 32 2.324 -1.073 -13.902 220 HG3 MET 32 1HG MET 32 2.833 -0.374 -15.438 221 HE1 MET 32 3HE MET 32 5.917 -2.000 -13.577 222 HE2 MET 32 1HE MET 32 4.294 -2.448 -14.104 223 HE3 MET 32 2HE MET 32 4.596 -2.065 -12.409 224 H ASP 33 H ASP 33 -0.348 1.547 -10.843 225 HA ASP 33 HA ASP 33 -1.750 3.229 -10.259 226 HB2 ASP 33 2HB ASP 33 0.693 4.563 -11.227 227 HB3 ASP 33 1HB ASP 33 -0.748 5.589 -11.214 228 H GLY 34 H GLY 34 -2.200 1.879 -12.820 229 HA2 GLY 34 2HA GLY 34 -3.468 4.044 -14.372 230 HA3 GLY 34 1HA GLY 34 -3.047 2.449 -15.005 231 H GLU 35 H GLU 35 -4.617 2.951 -11.901 232 HA GLU 35 HA GLU 35 -6.709 1.141 -12.514 233 HB2 GLU 35 2HB GLU 35 -6.486 3.136 -10.251 234 HB3 GLU 35 1HB GLU 35 -7.651 1.825 -10.336 235 HG2 GLU 35 2HG GLU 35 -5.561 0.309 -10.533 236 HG3 GLU 35 1HG GLU 35 -4.705 1.707 -9.884 237 H SER 36 H SER 36 -6.380 4.596 -12.831 238 HA SER 36 HA SER 36 -7.726 6.207 -13.686 239 HB2 SER 36 2HB SER 36 -7.928 4.383 -15.490 240 HB3 SER 36 1HB SER 36 -9.507 4.038 -14.784 241 HG SER 36 HG SER 36 -10.193 6.063 -15.322 242 H GLN 37 H GLN 37 -8.175 5.653 -11.050 243 HA GLN 37 HA GLN 37 -11.095 5.981 -10.820 244 HB2 GLN 37 2HB GLN 37 -10.767 5.025 -8.451 245 HB3 GLN 37 1HB GLN 37 -10.737 3.898 -9.811 246 HG2 GLN 37 2HG GLN 37 -8.200 4.157 -9.735 247 HG3 GLN 37 1HG GLN 37 -8.445 4.901 -8.156 248 HE21 GLN 37 1HE2 GLN 37 -8.122 3.527 -6.561 249 HE22 GLN 37 2HE2 GLN 37 -8.509 1.844 -6.570 250 H ASN 38 H ASN 38 -11.724 7.152 -8.763 251 HA ASN 38 HA ASN 38 -9.980 9.484 -8.493 252 HB2 ASN 38 2HB ASN 38 -12.898 8.987 -8.111 253 HB3 ASN 38 1HB ASN 38 -12.149 10.301 -7.208 254 HD21 ASN 38 1HD2 ASN 38 -11.878 12.186 -8.192 255 HD22 ASN 38 2HD2 ASN 38 -12.074 12.471 -9.883 256 H SER 39 H SER 39 -9.726 6.772 -6.999 257 HA SER 39 HA SER 39 -8.719 7.823 -4.592 258 HB2 SER 39 2HB SER 39 -11.345 7.826 -4.308 259 HB3 SER 39 1HB SER 39 -11.099 6.106 -3.985 260 HG SER 39 HG SER 39 -10.876 7.988 -2.256 261 H ASN 40 H ASN 40 -6.981 6.544 -4.436 262 HA ASN 40 HA ASN 40 -7.384 3.628 -4.623 263 HB2 ASN 40 2HB ASN 40 -5.103 3.443 -5.591 264 HB3 ASN 40 1HB ASN 40 -6.210 4.331 -6.626 265 HD21 ASN 40 1HD2 ASN 40 -3.494 4.600 -4.436 266 HD22 ASN 40 2HD2 ASN 40 -2.974 6.158 -4.976 267 H VAL 41 H VAL 41 -6.190 2.325 -3.226 268 HA VAL 41 HA VAL 41 -4.740 3.748 -1.091 269 HB VAL 41 HB VAL 41 -5.590 1.997 0.498 270 HG11 VAL 41 1HG1 VAL 41 -6.765 3.813 1.041 271 HG12 VAL 41 2HG1 VAL 41 -8.096 3.063 0.157 272 HG13 VAL 41 3HG1 VAL 41 -7.054 4.239 -0.646 273 HG21 VAL 41 3HG2 VAL 41 -6.332 0.241 -0.860 274 HG22 VAL 41 1HG2 VAL 41 -7.299 1.314 -1.873 275 HG23 VAL 41 2HG2 VAL 41 -7.810 0.962 -0.224 276 H ILE 42 H ILE 42 -2.661 3.245 -1.464 277 HA ILE 42 HA ILE 42 -1.913 0.572 -2.326 278 HB ILE 42 HB ILE 42 -0.819 2.620 -3.271 279 HG12 ILE 42 2HG1 ILE 42 1.495 1.258 -2.107 280 HG13 ILE 42 1HG1 ILE 42 0.260 0.135 -2.698 281 HG21 ILE 42 1HG2 ILE 42 -0.654 3.942 -1.244 282 HG22 ILE 42 2HG2 ILE 42 0.937 3.723 -1.971 283 HG23 ILE 42 3HG2 ILE 42 0.476 2.777 -0.553 284 HD11 ILE 42 3HD1 ILE 42 1.910 0.596 -4.408 285 HD12 ILE 42 1HD1 ILE 42 1.580 2.324 -4.291 286 HD13 ILE 42 2HD1 ILE 42 0.334 1.227 -4.886 287 H LEU 43 H LEU 43 -0.522 -0.826 -1.148 288 HA LEU 43 HA LEU 43 -0.378 -0.248 1.741 289 HB2 LEU 43 2HB LEU 43 -0.877 -2.902 0.393 290 HB3 LEU 43 1HB LEU 43 -0.636 -2.681 2.115 291 HG LEU 43 HG LEU 43 -2.884 -1.360 0.610 292 HD11 LEU 43 1HD1 LEU 43 -3.620 -3.471 0.311 293 HD12 LEU 43 2HD1 LEU 43 -4.112 -3.298 1.996 294 HD13 LEU 43 3HD1 LEU 43 -2.605 -4.124 1.596 295 HD21 LEU 43 3HD2 LEU 43 -2.614 -2.003 3.538 296 HD22 LEU 43 1HD2 LEU 43 -3.823 -0.982 2.757 297 HD23 LEU 43 2HD2 LEU 43 -2.141 -0.457 2.833 298 H PHE 44 H PHE 44 1.545 -0.466 2.694 299 HA PHE 44 HA PHE 44 3.732 -1.652 1.105 300 HB2 PHE 44 2HB PHE 44 3.554 0.922 2.038 301 HB3 PHE 44 1HB PHE 44 4.484 0.142 3.311 302 HD1 PHE 44 1HD PHE 44 4.380 0.163 -0.421 303 HD2 PHE 44 2HD PHE 44 6.761 0.275 3.107 304 HE1 PHE 44 1HE PHE 44 6.413 0.370 -1.797 305 HE2 PHE 44 2HE PHE 44 8.793 0.481 1.737 306 HZ PHE 44 HZ PHE 44 8.620 0.531 -0.719 307 H CYS 45 H CYS 45 5.044 -3.197 2.045 308 HA CYS 45 HA CYS 45 4.019 -4.557 4.315 309 HB2 CYS 45 2HB CYS 45 5.414 -5.552 2.415 310 HB3 CYS 45 1HB CYS 45 6.824 -4.903 3.268 311 H ASP 46 H ASP 46 4.949 -4.851 6.392 312 HA ASP 46 HA ASP 46 6.141 -2.421 7.417 313 HB2 ASP 46 2HB ASP 46 4.580 -4.623 8.501 314 HB3 ASP 46 1HB ASP 46 5.937 -4.190 9.549 315 H MET 47 H MET 47 7.334 -5.445 6.344 316 HA MET 47 HA MET 47 9.924 -4.819 7.594 317 HB2 MET 47 2HB MET 47 8.332 -7.227 7.914 318 HB3 MET 47 1HB MET 47 9.897 -7.597 7.190 319 HG2 MET 47 2HG MET 47 10.931 -7.354 9.131 320 HG3 MET 47 1HG MET 47 10.202 -5.770 9.394 321 HE1 MET 47 3HE MET 47 6.784 -6.887 9.718 322 HE2 MET 47 1HE MET 47 7.819 -5.476 9.939 323 HE3 MET 47 2HE MET 47 7.116 -6.282 11.341 324 H CYS 48 H CYS 48 8.391 -4.602 4.887 325 HA CYS 48 HA CYS 48 10.675 -5.280 3.237 326 HB2 CYS 48 2HB CYS 48 7.893 -6.249 2.551 327 HB3 CYS 48 1HB CYS 48 9.385 -6.573 1.682 328 H ASN 49 H ASN 49 9.685 -4.805 0.780 329 HA ASN 49 HA ASN 49 8.666 -2.052 0.926 330 HB2 ASN 49 2HB ASN 49 9.764 -1.756 -1.323 331 HB3 ASN 49 1HB ASN 49 10.878 -2.014 0.028 332 HD21 ASN 49 1HD2 ASN 49 12.154 -3.809 0.056 333 HD22 ASN 49 2HD2 ASN 49 12.239 -4.944 -1.243 334 H LEU 50 H LEU 50 7.495 -5.008 0.418 335 HA LEU 50 HA LEU 50 6.296 -5.089 -2.068 336 HB2 LEU 50 2HB LEU 50 6.292 -6.793 -0.094 337 HB3 LEU 50 1HB LEU 50 4.804 -5.975 0.379 338 HG LEU 50 HG LEU 50 4.335 -7.993 -0.909 339 HD11 LEU 50 1HD1 LEU 50 2.726 -7.104 -2.357 340 HD12 LEU 50 2HD1 LEU 50 3.688 -5.659 -2.676 341 HD13 LEU 50 3HD1 LEU 50 2.928 -5.883 -1.100 342 HD21 LEU 50 3HD2 LEU 50 6.567 -7.522 -2.295 343 HD22 LEU 50 1HD2 LEU 50 5.389 -6.857 -3.428 344 HD23 LEU 50 2HD2 LEU 50 5.259 -8.537 -2.903 345 H ALA 51 H ALA 51 5.218 -3.491 -2.996 346 HA ALA 51 HA ALA 51 3.234 -2.027 -1.394 347 HB1 ALA 51 1HB ALA 51 4.126 -0.758 -3.881 348 HB2 ALA 51 2HB ALA 51 5.378 -0.942 -2.655 349 HB3 ALA 51 3HB ALA 51 3.892 -0.073 -2.276 350 H VAL 52 H VAL 52 1.254 -2.796 -1.842 351 HA VAL 52 HA VAL 52 0.389 -2.874 -4.631 352 HB VAL 52 HB VAL 52 -0.760 -5.070 -4.304 353 HG11 VAL 52 1HG1 VAL 52 2.132 -5.635 -3.922 354 HG12 VAL 52 2HG1 VAL 52 1.654 -4.631 -5.287 355 HG13 VAL 52 3HG1 VAL 52 1.003 -6.260 -5.124 356 HG21 VAL 52 3HG2 VAL 52 0.773 -4.996 -1.732 357 HG22 VAL 52 1HG2 VAL 52 0.370 -6.533 -2.496 358 HG23 VAL 52 2HG2 VAL 52 -0.913 -5.423 -2.017 359 H HIS 53 H HIS 53 -1.689 -2.136 -4.878 360 HA HIS 53 HA HIS 53 -3.036 -0.955 -2.700 361 HB2 HIS 53 2HB HIS 53 -4.252 -1.796 -5.347 362 HB3 HIS 53 1HB HIS 53 -4.939 -0.647 -4.213 363 HD2 HIS 53 2HD HIS 53 -3.396 1.796 -3.984 364 HE1 HIS 53 1HE HIS 53 -1.748 1.254 -7.843 365 HE2 HIS 53 2HE HIS 53 -1.978 2.848 -5.884 366 H GLN 54 H GLN 54 -4.842 -1.613 -1.487 367 HA GLN 54 HA GLN 54 -5.016 -4.371 -0.895 368 HB2 GLN 54 2HB GLN 54 -6.797 -3.805 0.616 369 HB3 GLN 54 1HB GLN 54 -5.569 -2.554 0.711 370 HG2 GLN 54 2HG GLN 54 -7.228 -1.101 0.486 371 HG3 GLN 54 1HG GLN 54 -7.290 -1.593 -1.214 372 HE21 GLN 54 1HE2 GLN 54 -8.413 -2.850 1.927 373 HE22 GLN 54 2HE2 GLN 54 -10.011 -3.228 1.391 374 H GLU 55 H GLU 55 -6.505 -2.490 -3.339 375 HA GLU 55 HA GLU 55 -8.705 -4.356 -3.758 376 HB2 GLU 55 2HB GLU 55 -8.821 -1.783 -4.059 377 HB3 GLU 55 1HB GLU 55 -7.970 -2.066 -5.572 378 HG2 GLU 55 2HG GLU 55 -10.248 -1.953 -6.117 379 HG3 GLU 55 1HG GLU 55 -9.826 -3.666 -6.170 380 H CYS 56 H CYS 56 -5.567 -3.538 -4.924 381 HA CYS 56 HA CYS 56 -5.665 -4.963 -7.387 382 HB2 CYS 56 2HB CYS 56 -3.841 -3.253 -5.941 383 HB3 CYS 56 1HB CYS 56 -3.007 -4.660 -6.534 384 H TYR 57 H TYR 57 -4.614 -5.628 -4.089 385 HA TYR 57 HA TYR 57 -3.544 -8.211 -4.803 386 HB2 TYR 57 2HB TYR 57 -2.642 -6.659 -2.964 387 HB3 TYR 57 1HB TYR 57 -4.004 -7.216 -1.998 388 HD1 TYR 57 1HD TYR 57 -4.160 -9.630 -1.372 389 HD2 TYR 57 2HD TYR 57 -0.718 -8.020 -3.288 390 HE1 TYR 57 1HE TYR 57 -2.858 -11.594 -0.672 391 HE2 TYR 57 2HE TYR 57 0.592 -9.980 -2.593 392 HH TYR 57 HH TYR 57 -0.134 -12.554 -1.963 393 H GLY 58 H GLY 58 -6.409 -6.901 -3.219 394 HA2 GLY 58 2HA GLY 58 -8.524 -8.028 -3.409 395 HA3 GLY 58 1HA GLY 58 -7.655 -9.568 -3.419 396 H VAL 59 H VAL 59 -7.275 -6.804 -1.225 397 HA VAL 59 HA VAL 59 -7.668 -8.604 1.043 398 HB VAL 59 HB VAL 59 -6.730 -5.730 1.045 399 HG11 VAL 59 1HG1 VAL 59 -5.745 -6.757 3.304 400 HG12 VAL 59 2HG1 VAL 59 -7.191 -7.755 3.153 401 HG13 VAL 59 3HG1 VAL 59 -7.336 -5.999 3.214 402 HG21 VAL 59 3HG2 VAL 59 -4.523 -6.449 1.021 403 HG22 VAL 59 1HG2 VAL 59 -5.290 -7.516 -0.154 404 HG23 VAL 59 2HG2 VAL 59 -4.951 -8.099 1.476 405 HA PRO 60 HA PRO 60 -11.845 -6.856 1.170 406 HB2 PRO 60 2HB PRO 60 -12.816 -8.606 3.010 407 HB3 PRO 60 1HB PRO 60 -12.656 -8.996 1.289 408 HG2 PRO 60 2HG PRO 60 -10.849 -9.702 3.572 409 HG3 PRO 60 1HG PRO 60 -11.387 -10.712 2.217 410 HD2 PRO 60 2HD PRO 60 -8.948 -9.536 2.279 411 HD3 PRO 60 1HD PRO 60 -9.837 -9.814 0.766 412 H TYR 61 H TYR 61 -9.905 -7.701 4.044 413 HA TYR 61 HA TYR 61 -11.021 -5.319 5.366 414 HB2 TYR 61 2HB TYR 61 -11.876 -7.396 6.398 415 HB3 TYR 61 1HB TYR 61 -10.213 -7.910 6.712 416 HD1 TYR 61 2HD TYR 61 -12.010 -4.658 7.201 417 HD2 TYR 61 1HD TYR 61 -9.797 -7.827 8.981 418 HE1 TYR 61 2HE TYR 61 -12.054 -3.470 9.352 419 HE2 TYR 61 1HE TYR 61 -9.835 -6.648 11.137 420 HH TYR 61 HH TYR 61 -11.453 -4.847 12.228 421 H ILE 62 H ILE 62 -9.607 -3.929 6.294 422 HA ILE 62 HA ILE 62 -6.757 -4.477 5.875 423 HB ILE 62 HB ILE 62 -8.043 -1.833 6.572 424 HG12 ILE 62 2HG1 ILE 62 -7.170 -2.788 3.836 425 HG13 ILE 62 1HG1 ILE 62 -8.841 -2.811 4.390 426 HG21 ILE 62 1HG2 ILE 62 -5.785 -1.663 7.103 427 HG22 ILE 62 2HG2 ILE 62 -5.863 -1.028 5.460 428 HG23 ILE 62 3HG2 ILE 62 -5.287 -2.670 5.743 429 HD11 ILE 62 3HD1 ILE 62 -7.197 -0.587 3.444 430 HD12 ILE 62 1HD1 ILE 62 -8.162 -0.232 4.878 431 HD13 ILE 62 2HD1 ILE 62 -8.946 -0.810 3.407 432 HA PRO 63 HA PRO 63 -6.642 -5.410 10.319 433 HB2 PRO 63 2HB PRO 63 -3.744 -5.515 9.637 434 HB3 PRO 63 1HB PRO 63 -4.743 -6.690 10.514 435 HG2 PRO 63 2HG PRO 63 -3.990 -7.159 8.005 436 HG3 PRO 63 1HG PRO 63 -5.618 -7.594 8.561 437 HD2 PRO 63 2HD PRO 63 -4.742 -5.282 6.878 438 HD3 PRO 63 1HD PRO 63 -6.203 -6.282 6.752 439 H GLU 64 H GLU 64 -5.768 -4.382 12.180 440 HA GLU 64 HA GLU 64 -4.902 -1.615 11.703 441 HB2 GLU 64 2HB GLU 64 -6.907 -2.685 13.322 442 HB3 GLU 64 1HB GLU 64 -5.626 -2.260 14.447 443 HG2 GLU 64 2HG GLU 64 -6.504 -0.284 12.391 444 HG3 GLU 64 1HG GLU 64 -7.473 -0.537 13.842 445 H GLY 65 H GLY 65 -2.979 -3.723 11.510 446 HA2 GLY 65 2HA GLY 65 -1.188 -2.876 13.671 447 HA3 GLY 65 1HA GLY 65 -1.416 -4.597 13.408 448 H GLN 66 H GLN 66 0.492 -5.279 12.611 449 HA GLN 66 HA GLN 66 1.854 -3.698 10.566 450 HB2 GLN 66 2HB GLN 66 3.728 -5.207 10.872 451 HB3 GLN 66 1HB GLN 66 3.173 -4.628 12.435 452 HG2 GLN 66 2HG GLN 66 1.816 -6.824 12.510 453 HG3 GLN 66 1HG GLN 66 2.902 -7.351 11.227 454 HE21 GLN 66 1HE2 GLN 66 5.271 -6.194 12.032 455 HE22 GLN 66 2HE2 GLN 66 5.782 -6.910 13.519 456 H TRP 67 H TRP 67 2.514 -4.599 8.542 457 HA TRP 67 HA TRP 67 0.784 -6.805 7.638 458 HB2 TRP 67 2HB TRP 67 0.394 -4.423 6.707 459 HB3 TRP 67 1HB TRP 67 1.873 -4.691 5.792 460 HD1 TRP 67 HD TRP 67 -1.133 -7.081 6.405 461 HE1 TRP 67 1HE TRP 67 -1.970 -7.904 4.116 462 HE3 TRP 67 3HE TRP 67 2.019 -4.419 3.376 463 HZ2 TRP 67 2HZ TRP 67 -1.378 -7.483 1.389 464 HZ3 TRP 67 3HZ TRP 67 1.816 -4.690 0.938 465 HH2 TRP 67 HH TRP 67 0.152 -6.192 -0.031 466 H LEU 68 H LEU 68 1.861 -8.600 7.215 467 HA LEU 68 HA LEU 68 4.631 -8.403 6.217 468 HB2 LEU 68 2HB LEU 68 3.302 -10.513 7.918 469 HB3 LEU 68 1HB LEU 68 4.802 -10.812 7.063 470 HG LEU 68 HG LEU 68 4.945 -10.198 9.542 471 HD11 LEU 68 1HD1 LEU 68 6.851 -10.252 7.981 472 HD12 LEU 68 2HD1 LEU 68 7.021 -9.012 9.225 473 HD13 LEU 68 3HD1 LEU 68 6.549 -8.558 7.588 474 HD21 LEU 68 3HD2 LEU 68 3.331 -8.243 9.238 475 HD22 LEU 68 1HD2 LEU 68 4.704 -7.375 8.550 476 HD23 LEU 68 2HD2 LEU 68 4.774 -7.962 10.212 477 H CYS 69 H CYS 69 4.599 -8.710 4.060 478 HA CYS 69 HA CYS 69 2.575 -9.971 2.612 479 HB2 CYS 69 2HB CYS 69 4.123 -9.943 0.704 480 HB3 CYS 69 1HB CYS 69 4.150 -8.405 1.574 481 H ARG 70 H ARG 70 2.777 -11.946 1.291 482 HA ARG 70 HA ARG 70 3.008 -14.217 2.803 483 HB2 ARG 70 2HB ARG 70 2.047 -13.782 0.399 484 HB3 ARG 70 1HB ARG 70 3.611 -14.401 -0.110 485 HG2 ARG 70 2HG ARG 70 2.277 -16.288 -0.112 486 HG3 ARG 70 1HG ARG 70 3.087 -16.383 1.453 487 HD2 ARG 70 2HD ARG 70 1.090 -15.304 2.478 488 HD3 ARG 70 1HD ARG 70 0.291 -15.393 0.911 489 HE ARG 70 HE ARG 70 1.274 -17.925 1.843 490 HH11 ARG 70 1HH1 ARG 70 -1.426 -15.694 1.972 491 HH12 ARG 70 2HH1 ARG 70 -2.577 -16.923 2.374 492 HH21 ARG 70 1HH2 ARG 70 -0.247 -19.534 2.375 493 HH22 ARG 70 2HH2 ARG 70 -1.908 -19.101 2.603 494 H HIS 71 H HIS 71 5.652 -12.540 1.214 495 HA HIS 71 HA HIS 71 7.427 -14.775 1.208 496 HB2 HIS 71 2HB HIS 71 7.584 -12.686 -0.252 497 HB3 HIS 71 1HB HIS 71 8.234 -11.868 1.164 498 HD1 HIS 71 1HD HIS 71 9.082 -15.322 -0.192 499 HD2 HIS 71 2HD HIS 71 10.878 -11.661 0.610 500 HE1 HIS 71 1HE HIS 71 11.528 -15.656 -0.664 501 HE2 HIS 71 2HE HIS 71 12.607 -13.452 -0.090 502 H CYS 72 H CYS 72 7.007 -11.958 3.325 503 HA CYS 72 HA CYS 72 9.065 -12.896 5.109 504 HB2 CYS 72 2HB CYS 72 8.494 -10.931 6.444 505 HB3 CYS 72 1HB CYS 72 8.817 -10.539 4.746 506 H LEU 73 H LEU 73 5.510 -12.581 5.250 507 HA LEU 73 HA LEU 73 5.205 -13.518 7.874 508 HB2 LEU 73 2HB LEU 73 2.921 -13.822 7.410 509 HB3 LEU 73 1HB LEU 73 3.424 -12.468 6.422 510 HG LEU 73 HG LEU 73 3.684 -14.237 4.537 511 HD11 LEU 73 1HD1 LEU 73 1.677 -15.935 5.044 512 HD12 LEU 73 2HD1 LEU 73 2.327 -15.761 6.674 513 HD13 LEU 73 3HD1 LEU 73 3.368 -16.319 5.363 514 HD21 LEU 73 3HD2 LEU 73 2.047 -12.762 4.027 515 HD22 LEU 73 1HD2 LEU 73 1.281 -12.895 5.608 516 HD23 LEU 73 2HD2 LEU 73 1.006 -14.138 4.386 517 H GLN 74 H GLN 74 6.004 -15.156 4.935 518 HA GLN 74 HA GLN 74 5.331 -17.792 5.937 519 HB2 GLN 74 2HB GLN 74 5.201 -17.353 3.539 520 HB3 GLN 74 1HB GLN 74 6.902 -16.913 3.505 521 HG2 GLN 74 2HG GLN 74 7.468 -19.222 4.184 522 HG3 GLN 74 1HG GLN 74 5.758 -19.637 4.079 523 HE21 GLN 74 1HE2 GLN 74 4.739 -19.596 2.036 524 HE22 GLN 74 2HE2 GLN 74 5.656 -19.741 0.579 525 H SER 75 H SER 75 8.207 -15.789 5.493 526 HA SER 75 HA SER 75 10.178 -17.649 6.193 527 HB2 SER 75 2HB SER 75 10.577 -15.364 5.211 528 HB3 SER 75 1HB SER 75 10.236 -14.682 6.802 529 HG SER 75 HG SER 75 12.041 -15.692 7.611 530 H ARG 76 H ARG 76 8.129 -15.573 8.180 531 HA ARG 76 HA ARG 76 9.411 -16.465 10.635 532 HB2 ARG 76 2HB ARG 76 8.673 -14.099 10.328 533 HB3 ARG 76 1HB ARG 76 7.007 -14.665 10.295 534 HG2 ARG 76 2HG ARG 76 7.819 -15.767 12.610 535 HG3 ARG 76 1HG ARG 76 8.857 -14.338 12.565 536 HD2 ARG 76 2HD ARG 76 7.107 -12.891 12.754 537 HD3 ARG 76 1HD ARG 76 5.982 -13.967 11.927 538 HE ARG 76 HE ARG 76 5.418 -14.887 13.948 539 HH11 ARG 76 1HH1 ARG 76 8.354 -13.017 14.354 540 HH12 ARG 76 2HH1 ARG 76 8.329 -13.125 16.081 541 HH21 ARG 76 1HH2 ARG 76 5.392 -15.023 16.223 542 HH22 ARG 76 2HH2 ARG 76 6.647 -14.265 17.144 543 H ALA 77 H ALA 77 6.589 -17.210 8.732 544 HA ALA 77 HA ALA 77 4.828 -18.262 10.569 545 HB1 ALA 77 1HB ALA 77 4.033 -18.194 8.393 546 HB2 ALA 77 2HB ALA 77 4.264 -19.920 8.663 547 HB3 ALA 77 3HB ALA 77 5.456 -19.004 7.739 548 H ARG 78 H ARG 78 7.746 -19.766 9.251 549 HA ARG 78 HA ARG 78 7.257 -22.315 10.441 550 HB2 ARG 78 2HB ARG 78 9.311 -21.106 8.776 551 HB3 ARG 78 1HB ARG 78 10.008 -22.132 10.020 552 HG2 ARG 78 2HG ARG 78 9.264 -24.019 9.065 553 HG3 ARG 78 1HG ARG 78 7.718 -23.302 8.610 554 HD2 ARG 78 2HD ARG 78 8.432 -22.789 6.551 555 HD3 ARG 78 1HD ARG 78 9.988 -22.201 7.139 556 HE ARG 78 HE ARG 78 9.787 -25.056 7.212 557 HH11 ARG 78 1HH1 ARG 78 10.468 -22.325 5.131 558 HH12 ARG 78 2HH1 ARG 78 11.448 -23.243 4.039 559 HH21 ARG 78 1HH2 ARG 78 11.080 -26.264 5.764 560 HH22 ARG 78 2HH2 ARG 78 11.795 -25.478 4.397 561 HA PRO 79 HA PRO 79 10.416 -21.033 13.809 562 HB2 PRO 79 2HB PRO 79 11.499 -18.560 13.794 563 HB3 PRO 79 1HB PRO 79 12.180 -19.894 12.854 564 HG2 PRO 79 2HG PRO 79 10.400 -17.660 11.958 565 HG3 PRO 79 1HG PRO 79 11.836 -18.332 11.163 566 HD2 PRO 79 2HD PRO 79 9.295 -18.984 10.441 567 HD3 PRO 79 1HD PRO 79 10.666 -20.099 10.270 568 H ALA 80 H ALA 80 8.394 -21.092 14.945 569 HA ALA 80 HA ALA 80 7.376 -18.454 15.774 570 HB1 ALA 80 1HB ALA 80 5.904 -21.065 16.031 571 HB2 ALA 80 2HB ALA 80 5.806 -20.044 14.597 572 HB3 ALA 80 3HB ALA 80 5.257 -19.428 16.156
Contact the webmaster for help, if required. Saturday, June 1, 2024 7:11:32 AM GMT (wattos1)