NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27456 | 2rmy | 11050 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 -19.557 -4.251 -8.326 2 H2 MET 1 2HT MET 1 -19.751 -3.372 -9.759 3 H3 MET 1 3HT MET 1 -21.089 -4.108 -9.031 4 HA MET 1 HA MET 1 -19.489 -1.916 -7.846 5 HB2 MET 1 2HB MET 1 -21.460 -0.512 -8.275 6 HB3 MET 1 1HB MET 1 -20.777 -1.140 -9.769 7 HG2 MET 1 2HG MET 1 -22.517 -2.902 -9.766 8 HG3 MET 1 1HG MET 1 -23.232 -2.140 -8.347 9 HE1 MET 1 2HE MET 1 -22.772 0.949 -9.005 10 HE2 MET 1 3HE MET 1 -24.287 0.317 -8.363 11 HE3 MET 1 1HE MET 1 -24.299 1.357 -9.788 12 H ALA 2 H ALA 2 -20.679 -0.899 -6.016 13 HA ALA 2 HA ALA 2 -22.690 -2.429 -4.663 14 HB1 ALA 2 1HB ALA 2 -19.926 -2.358 -3.455 15 HB2 ALA 2 2HB ALA 2 -20.712 -3.779 -4.144 16 HB3 ALA 2 3HB ALA 2 -21.377 -3.017 -2.699 17 H GLU 3 H GLU 3 -22.222 -1.516 -2.062 18 HA GLU 3 HA GLU 3 -23.156 1.176 -2.292 19 HB2 GLU 3 2HB GLU 3 -24.005 -0.348 -0.565 20 HB3 GLU 3 1HB GLU 3 -22.404 -0.432 0.156 21 HG2 GLU 3 2HG GLU 3 -22.507 1.953 0.668 22 HG3 GLU 3 1HG GLU 3 -24.113 2.037 -0.055 23 H MET 4 H MET 4 -20.201 -0.340 -1.050 24 HA MET 4 HA MET 4 -18.210 0.546 -0.346 25 HB2 MET 4 2HB MET 4 -18.698 2.271 -2.777 26 HB3 MET 4 1HB MET 4 -17.140 1.995 -2.012 27 HG2 MET 4 2HG MET 4 -17.368 -0.416 -2.532 28 HG3 MET 4 1HG MET 4 -18.852 -0.046 -3.409 29 HE1 MET 4 3HE MET 4 -18.920 1.525 -5.587 30 HE2 MET 4 1HE MET 4 -17.483 2.282 -6.278 31 HE3 MET 4 2HE MET 4 -18.072 2.789 -4.694 32 H GLY 5 H GLY 5 -19.762 1.502 1.428 33 HA2 GLY 5 2HA GLY 5 -20.056 4.363 1.403 34 HA3 GLY 5 1HA GLY 5 -20.399 3.291 2.752 35 H SER 6 H SER 6 -19.127 3.498 4.460 36 HA SER 6 HA SER 6 -16.816 5.184 4.363 37 HB2 SER 6 2HB SER 6 -18.119 3.589 6.561 38 HB3 SER 6 1HB SER 6 -16.627 4.490 6.811 39 HG SER 6 HG SER 6 -18.108 5.965 7.305 40 H LYS 7 H LYS 7 -17.216 2.096 3.466 41 HA LYS 7 HA LYS 7 -14.839 0.933 4.607 42 HB2 LYS 7 2HB LYS 7 -16.639 -0.058 2.391 43 HB3 LYS 7 1HB LYS 7 -15.357 -0.990 3.151 44 HG2 LYS 7 2HG LYS 7 -17.745 0.113 4.613 45 HG3 LYS 7 1HG LYS 7 -17.630 -1.529 3.979 46 HD2 LYS 7 2HD LYS 7 -15.719 -1.976 5.406 47 HD3 LYS 7 1HD LYS 7 -15.742 -0.312 5.995 48 HE2 LYS 7 2HE LYS 7 -16.777 -1.834 7.601 49 HE3 LYS 7 1HE LYS 7 -17.948 -0.677 6.968 50 HZ1 LYS 7 3HZ LYS 7 -17.633 -3.490 6.067 51 HZ2 LYS 7 1HZ LYS 7 -18.756 -2.381 5.454 52 HZ3 LYS 7 2HZ LYS 7 -18.871 -2.903 7.059 53 H GLY 8 H GLY 8 -15.834 1.840 1.298 54 HA2 GLY 8 2HA GLY 8 -13.237 1.375 0.204 55 HA3 GLY 8 1HA GLY 8 -14.576 2.172 -0.603 56 H VAL 9 H VAL 9 -14.894 4.261 1.380 57 HA VAL 9 HA VAL 9 -12.987 6.098 0.336 58 HB VAL 9 HB VAL 9 -14.056 7.768 1.726 59 HG11 VAL 9 1HG1 VAL 9 -16.046 5.854 0.519 60 HG12 VAL 9 2HG1 VAL 9 -15.193 7.147 -0.323 61 HG13 VAL 9 3HG1 VAL 9 -16.370 7.537 0.931 62 HG21 VAL 9 3HG2 VAL 9 -15.863 7.158 3.286 63 HG22 VAL 9 1HG2 VAL 9 -14.298 6.513 3.781 64 HG23 VAL 9 2HG2 VAL 9 -15.487 5.454 3.023 65 H THR 10 H THR 10 -13.167 4.186 3.238 66 HA THR 10 HA THR 10 -11.051 5.709 4.535 67 HB THR 10 HB THR 10 -12.495 3.222 5.471 68 HG1 THR 10 1HG THR 10 -13.063 5.292 6.980 69 HG21 THR 10 3HG2 THR 10 -11.546 3.775 7.674 70 HG22 THR 10 1HG2 THR 10 -10.626 5.088 6.939 71 HG23 THR 10 2HG2 THR 10 -10.288 3.415 6.491 72 H ALA 11 H ALA 11 -11.532 2.245 3.777 73 HA ALA 11 HA ALA 11 -8.873 1.482 4.157 74 HB1 ALA 11 1HB ALA 11 -10.895 0.224 2.305 75 HB2 ALA 11 2HB ALA 11 -10.740 -0.104 4.030 76 HB3 ALA 11 3HB ALA 11 -9.434 -0.541 2.928 77 H GLY 12 H GLY 12 -10.401 3.061 1.468 78 HA2 GLY 12 2HA GLY 12 -8.454 2.423 -0.504 79 HA3 GLY 12 1HA GLY 12 -9.593 3.761 -0.572 80 H LYS 13 H LYS 13 -8.677 4.867 1.978 81 HA LYS 13 HA LYS 13 -6.643 6.568 0.997 82 HB2 LYS 13 2HB LYS 13 -7.980 7.640 2.526 83 HB3 LYS 13 1HB LYS 13 -8.135 6.224 3.550 84 HG2 LYS 13 2HG LYS 13 -5.465 7.482 3.395 85 HG3 LYS 13 1HG LYS 13 -6.739 8.357 4.243 86 HD2 LYS 13 2HD LYS 13 -7.037 5.799 5.185 87 HD3 LYS 13 1HD LYS 13 -5.286 5.953 5.027 88 HE2 LYS 13 2HE LYS 13 -5.329 7.977 6.373 89 HE3 LYS 13 1HE LYS 13 -7.086 7.883 6.482 90 HZ1 LYS 13 3HZ LYS 13 -6.036 7.027 8.478 91 HZ2 LYS 13 1HZ LYS 13 -5.175 5.885 7.572 92 HZ3 LYS 13 2HZ LYS 13 -6.861 5.790 7.673 93 H ILE 14 H ILE 14 -6.647 3.764 3.136 94 HA ILE 14 HA ILE 14 -3.964 4.015 3.999 95 HB ILE 14 HB ILE 14 -5.799 1.624 3.885 96 HG12 ILE 14 2HG1 ILE 14 -5.454 2.000 6.464 97 HG13 ILE 14 1HG1 ILE 14 -4.990 3.624 5.963 98 HG21 ILE 14 1HG2 ILE 14 -4.148 0.497 5.356 99 HG22 ILE 14 2HG2 ILE 14 -3.018 1.811 5.031 100 HG23 ILE 14 3HG2 ILE 14 -3.559 0.768 3.716 101 HD11 ILE 14 3HD1 ILE 14 -7.613 2.285 5.352 102 HD12 ILE 14 1HD1 ILE 14 -7.148 3.925 4.897 103 HD13 ILE 14 2HD1 ILE 14 -7.334 3.502 6.599 104 H ALA 15 H ALA 15 -5.467 2.287 1.293 105 HA ALA 15 HA ALA 15 -3.250 0.866 0.395 106 HB1 ALA 15 1HB ALA 15 -5.517 0.535 -0.478 107 HB2 ALA 15 2HB ALA 15 -4.351 0.791 -1.776 108 HB3 ALA 15 3HB ALA 15 -5.428 2.100 -1.287 109 H SER 16 H SER 16 -4.356 4.084 -0.601 110 HA SER 16 HA SER 16 -2.210 4.639 -2.322 111 HB2 SER 16 2HB SER 16 -4.282 5.927 -2.404 112 HB3 SER 16 1HB SER 16 -3.985 6.548 -0.781 113 HG SER 16 HG SER 16 -2.181 7.638 -1.569 114 H ASN 17 H ASN 17 -2.609 5.053 1.138 115 HA ASN 17 HA ASN 17 -0.362 6.735 1.540 116 HB2 ASN 17 2HB ASN 17 -2.122 5.091 3.304 117 HB3 ASN 17 1HB ASN 17 -0.638 5.765 3.964 118 HD21 ASN 17 1HD2 ASN 17 -2.444 7.358 1.454 119 HD22 ASN 17 2HD2 ASN 17 -3.022 8.665 2.424 120 H VAL 18 H VAL 18 -0.813 3.222 1.972 121 HA VAL 18 HA VAL 18 1.827 2.713 2.813 122 HB VAL 18 HB VAL 18 1.391 0.372 2.272 123 HG11 VAL 18 1HG1 VAL 18 -0.553 0.027 3.712 124 HG12 VAL 18 2HG1 VAL 18 -0.977 1.730 3.546 125 HG13 VAL 18 3HG1 VAL 18 0.517 1.269 4.360 126 HG21 VAL 18 3HG2 VAL 18 -0.701 -0.331 1.253 127 HG22 VAL 18 1HG2 VAL 18 0.205 0.712 0.158 128 HG23 VAL 18 2HG2 VAL 18 -1.177 1.353 1.045 129 H GLN 19 H GLN 19 0.333 3.027 -0.324 130 HA GLN 19 HA GLN 19 2.263 1.913 -1.968 131 HB2 GLN 19 2HB GLN 19 -0.083 3.136 -2.405 132 HB3 GLN 19 1HB GLN 19 0.998 4.454 -2.841 133 HG2 GLN 19 2HG GLN 19 2.097 3.036 -4.476 134 HG3 GLN 19 1HG GLN 19 1.059 1.688 -4.013 135 HE21 GLN 19 1HE2 GLN 19 1.235 4.743 -5.658 136 HE22 GLN 19 2HE2 GLN 19 -0.277 4.616 -6.485 137 H LYS 20 H LYS 20 2.110 5.111 -0.490 138 HA LYS 20 HA LYS 20 4.283 6.288 -1.820 139 HB2 LYS 20 2HB LYS 20 3.793 6.952 1.049 140 HB3 LYS 20 1HB LYS 20 4.126 8.021 -0.302 141 HG2 LYS 20 2HG LYS 20 1.519 6.613 0.227 142 HG3 LYS 20 1HG LYS 20 1.865 8.310 0.549 143 HD2 LYS 20 2HD LYS 20 1.967 7.018 -2.175 144 HD3 LYS 20 1HD LYS 20 0.601 7.942 -1.548 145 HE2 LYS 20 2HE LYS 20 3.403 8.991 -1.955 146 HE3 LYS 20 1HE LYS 20 2.028 9.298 -3.014 147 HZ1 LYS 20 3HZ LYS 20 0.912 10.416 -1.187 148 HZ2 LYS 20 1HZ LYS 20 2.409 11.139 -1.501 149 HZ3 LYS 20 2HZ LYS 20 2.227 10.117 -0.166 150 H LYS 21 H LYS 21 4.081 4.288 1.062 151 HA LYS 21 HA LYS 21 6.771 4.574 1.869 152 HB2 LYS 21 2HB LYS 21 5.712 3.678 3.628 153 HB3 LYS 21 1HB LYS 21 4.456 2.968 2.630 154 HG2 LYS 21 2HG LYS 21 7.127 1.668 2.628 155 HG3 LYS 21 1HG LYS 21 6.114 1.497 4.063 156 HD2 LYS 21 2HD LYS 21 4.942 1.006 1.361 157 HD3 LYS 21 1HD LYS 21 5.934 -0.242 2.122 158 HE2 LYS 21 2HE LYS 21 3.507 1.056 3.359 159 HE3 LYS 21 1HE LYS 21 3.523 -0.523 2.573 160 HZ1 LYS 21 3HZ LYS 21 5.080 -1.307 4.229 161 HZ2 LYS 21 1HZ LYS 21 3.693 -0.701 4.986 162 HZ3 LYS 21 2HZ LYS 21 5.116 0.214 4.969 163 H LEU 22 H LEU 22 5.189 2.459 -0.425 164 HA LEU 22 HA LEU 22 7.411 0.688 -0.729 165 HB2 LEU 22 2HB LEU 22 5.009 1.198 -2.479 166 HB3 LEU 22 1HB LEU 22 6.196 -0.057 -2.785 167 HG LEU 22 HG LEU 22 4.452 0.130 -0.334 168 HD11 LEU 22 1HD1 LEU 22 4.309 -1.730 -2.702 169 HD12 LEU 22 2HD1 LEU 22 3.175 -0.430 -2.335 170 HD13 LEU 22 3HD1 LEU 22 3.306 -1.818 -1.254 171 HD21 LEU 22 3HD2 LEU 22 6.290 -2.090 -1.221 172 HD22 LEU 22 1HD2 LEU 22 5.333 -2.028 0.259 173 HD23 LEU 22 2HD2 LEU 22 6.679 -0.910 0.030 174 H THR 23 H THR 23 6.233 3.547 -2.421 175 HA THR 23 HA THR 23 8.142 3.445 -4.515 176 HB THR 23 HB THR 23 5.919 4.960 -4.107 177 HG1 THR 23 1HG THR 23 7.779 4.665 -5.965 178 HG21 THR 23 3HG2 THR 23 6.548 7.294 -3.926 179 HG22 THR 23 1HG2 THR 23 8.250 6.853 -3.771 180 HG23 THR 23 2HG2 THR 23 7.108 6.424 -2.497 181 H ARG 24 H ARG 24 8.133 4.798 -1.276 182 HA ARG 24 HA ARG 24 10.507 6.330 -1.542 183 HB2 ARG 24 2HB ARG 24 9.057 5.205 0.845 184 HB3 ARG 24 1HB ARG 24 10.534 6.148 0.998 185 HG2 ARG 24 2HG ARG 24 9.482 8.055 -0.023 186 HG3 ARG 24 1HG ARG 24 8.021 7.118 -0.343 187 HD2 ARG 24 2HD ARG 24 7.661 8.476 1.599 188 HD3 ARG 24 1HD ARG 24 7.756 6.787 2.090 189 HE ARG 24 HE ARG 24 10.219 8.309 2.269 190 HH11 ARG 24 1HH1 ARG 24 7.399 7.077 3.903 191 HH12 ARG 24 2HH1 ARG 24 8.092 7.226 5.483 192 HH21 ARG 24 1HH2 ARG 24 11.138 8.510 4.344 193 HH22 ARG 24 2HH2 ARG 24 10.217 8.040 5.735 194 H ALA 25 H ALA 25 9.795 3.028 -0.621 195 HA ALA 25 HA ALA 25 12.301 2.245 0.330 196 HB1 ALA 25 1HB ALA 25 10.270 0.572 -1.157 197 HB2 ALA 25 2HB ALA 25 10.264 0.891 0.577 198 HB3 ALA 25 3HB ALA 25 11.579 -0.038 -0.144 199 H GLN 26 H GLN 26 10.974 2.347 -2.936 200 HA GLN 26 HA GLN 26 13.083 1.074 -4.272 201 HB2 GLN 26 2HB GLN 26 11.002 3.067 -5.142 202 HB3 GLN 26 1HB GLN 26 12.224 2.468 -6.261 203 HG2 GLN 26 2HG GLN 26 11.472 0.171 -5.823 204 HG3 GLN 26 1HG GLN 26 10.211 0.806 -4.764 205 HE21 GLN 26 1HE2 GLN 26 8.467 1.909 -5.659 206 HE22 GLN 26 2HE2 GLN 26 8.080 1.808 -7.340 207 H GLU 27 H GLU 27 12.503 4.545 -3.703 208 HA GLU 27 HA GLU 27 14.883 5.373 -4.982 209 HB2 GLU 27 2HB GLU 27 13.326 6.827 -2.841 210 HB3 GLU 27 1HB GLU 27 14.504 7.535 -3.939 211 HG2 GLU 27 2HG GLU 27 11.856 6.325 -4.701 212 HG3 GLU 27 1HG GLU 27 12.260 8.041 -4.667 213 H LYS 28 H LYS 28 14.178 4.258 -1.757 214 HA LYS 28 HA LYS 28 16.574 5.236 -0.564 215 HB2 LYS 28 2HB LYS 28 14.512 4.713 0.709 216 HB3 LYS 28 1HB LYS 28 14.789 3.004 0.395 217 HG2 LYS 28 2HG LYS 28 16.863 3.072 1.623 218 HG3 LYS 28 1HG LYS 28 16.696 4.813 1.860 219 HD2 LYS 28 2HD LYS 28 14.635 4.429 3.137 220 HD3 LYS 28 1HD LYS 28 14.832 2.689 2.920 221 HE2 LYS 28 2HE LYS 28 15.629 3.358 5.111 222 HE3 LYS 28 1HE LYS 28 16.972 2.793 4.118 223 HZ1 LYS 28 3HZ LYS 28 17.528 5.110 3.646 224 HZ2 LYS 28 1HZ LYS 28 17.572 4.793 5.307 225 HZ3 LYS 28 2HZ LYS 28 16.263 5.631 4.641 226 H VAL 29 H VAL 29 15.643 2.106 -1.978 227 HA VAL 29 HA VAL 29 17.903 0.674 -1.149 228 HB VAL 29 HB VAL 29 17.495 -0.849 -3.053 229 HG11 VAL 29 1HG1 VAL 29 15.099 -0.023 -1.425 230 HG12 VAL 29 2HG1 VAL 29 16.295 -1.255 -1.025 231 HG13 VAL 29 3HG1 VAL 29 15.184 -1.507 -2.372 232 HG21 VAL 29 3HG2 VAL 29 15.826 -0.498 -4.659 233 HG22 VAL 29 1HG2 VAL 29 16.709 1.027 -4.581 234 HG23 VAL 29 2HG2 VAL 29 15.145 0.869 -3.780 235 H LEU 30 H LEU 30 17.431 2.924 -3.777 236 HA LEU 30 HA LEU 30 19.671 2.343 -5.330 237 HB2 LEU 30 2HB LEU 30 18.549 5.093 -4.779 238 HB3 LEU 30 1HB LEU 30 19.505 4.612 -6.167 239 HG LEU 30 HG LEU 30 16.806 3.422 -5.584 240 HD11 LEU 30 1HD1 LEU 30 15.948 4.990 -7.310 241 HD12 LEU 30 2HD1 LEU 30 17.489 5.846 -7.236 242 HD13 LEU 30 3HD1 LEU 30 16.447 5.784 -5.814 243 HD21 LEU 30 3HD2 LEU 30 18.487 3.575 -8.081 244 HD22 LEU 30 1HD2 LEU 30 16.879 2.860 -7.966 245 HD23 LEU 30 2HD2 LEU 30 18.228 2.143 -7.085 246 H GLN 31 H GLN 31 19.345 4.016 -2.293 247 HA GLN 31 HA GLN 31 21.879 5.274 -2.233 248 HB2 GLN 31 2HB GLN 31 20.043 4.378 0.001 249 HB3 GLN 31 1HB GLN 31 21.489 5.349 0.246 250 HG2 GLN 31 2HG GLN 31 20.574 7.179 -0.939 251 HG3 GLN 31 1HG GLN 31 19.240 6.203 -1.550 252 HE21 GLN 31 1HE2 GLN 31 20.368 5.984 1.740 253 HE22 GLN 31 2HE2 GLN 31 18.985 6.713 2.471 254 H LYS 32 H LYS 32 20.765 2.058 -1.540 255 HA LYS 32 HA LYS 32 23.132 1.205 -0.160 256 HB2 LYS 32 2HB LYS 32 20.954 -0.444 -1.459 257 HB3 LYS 32 1HB LYS 32 22.153 -1.031 -0.315 258 HG2 LYS 32 2HG LYS 32 21.192 0.175 1.466 259 HG3 LYS 32 1HG LYS 32 20.197 1.140 0.374 260 HD2 LYS 32 2HD LYS 32 18.890 -0.810 -0.215 261 HD3 LYS 32 1HD LYS 32 19.932 -1.839 0.771 262 HE2 LYS 32 2HE LYS 32 18.214 0.420 1.790 263 HE3 LYS 32 1HE LYS 32 17.834 -1.297 1.917 264 HZ1 LYS 32 3HZ LYS 32 18.792 -0.434 3.965 265 HZ2 LYS 32 1HZ LYS 32 20.190 0.040 3.138 266 HZ3 LYS 32 2HZ LYS 32 19.803 -1.601 3.276 267 H LEU 33 H LEU 33 21.835 0.867 -3.434 268 HA LEU 33 HA LEU 33 24.099 -0.655 -4.365 269 HB2 LEU 33 2HB LEU 33 22.134 0.716 -6.164 270 HB3 LEU 33 1HB LEU 33 22.989 -0.793 -6.417 271 HG LEU 33 HG LEU 33 20.725 -0.365 -4.471 272 HD11 LEU 33 1HD1 LEU 33 19.961 -0.277 -6.769 273 HD12 LEU 33 2HD1 LEU 33 19.439 -1.777 -6.004 274 HD13 LEU 33 3HD1 LEU 33 20.799 -1.787 -7.126 275 HD21 LEU 33 3HD2 LEU 33 22.309 -2.068 -3.711 276 HD22 LEU 33 1HD2 LEU 33 22.173 -2.889 -5.266 277 HD23 LEU 33 2HD2 LEU 33 20.775 -2.789 -4.197 278 H TYR 34 H TYR 34 22.735 2.397 -5.574 279 HA TYR 34 HA TYR 34 25.231 3.220 -6.697 280 HB2 TYR 34 2HB TYR 34 22.721 4.852 -6.262 281 HB3 TYR 34 1HB TYR 34 24.044 5.236 -7.358 282 HD1 TYR 34 2HD TYR 34 24.326 4.005 -9.448 283 HD2 TYR 34 1HD TYR 34 21.076 3.163 -6.828 284 HE1 TYR 34 2HE TYR 34 23.204 2.765 -11.249 285 HE2 TYR 34 1HE TYR 34 19.948 1.920 -8.625 286 HH TYR 34 HH TYR 34 19.945 1.794 -11.059 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -8.898 -10.736 0.718 2 H2 MET 1 2HT MET 1 -10.394 -10.052 1.113 3 H3 MET 1 3HT MET 1 -9.584 -9.561 -0.289 4 HA MET 1 HA MET 1 -9.852 -11.711 -1.278 5 HB2 MET 1 2HB MET 1 -11.267 -12.374 1.310 6 HB3 MET 1 1HB MET 1 -11.274 -13.398 -0.119 7 HG2 MET 1 2HG MET 1 -8.852 -13.638 0.036 8 HG3 MET 1 1HG MET 1 -8.838 -12.605 1.463 9 HE1 MET 1 2HE MET 1 -7.547 -15.560 1.344 10 HE2 MET 1 3HE MET 1 -8.045 -16.161 2.925 11 HE3 MET 1 1HE MET 1 -7.484 -14.497 2.751 12 H ALA 2 H ALA 2 -11.391 -11.684 -2.789 13 HA ALA 2 HA ALA 2 -13.206 -10.989 -3.972 14 HB1 ALA 2 1HB ALA 2 -14.599 -11.364 -1.326 15 HB2 ALA 2 2HB ALA 2 -14.301 -12.622 -2.525 16 HB3 ALA 2 3HB ALA 2 -15.373 -11.275 -2.907 17 H GLU 3 H GLU 3 -12.376 -8.895 -4.303 18 HA GLU 3 HA GLU 3 -12.285 -6.613 -4.183 19 HB2 GLU 3 2HB GLU 3 -15.201 -7.019 -3.512 20 HB3 GLU 3 1HB GLU 3 -14.482 -5.547 -4.154 21 HG2 GLU 3 2HG GLU 3 -13.895 -6.697 -6.200 22 HG3 GLU 3 1HG GLU 3 -14.535 -8.206 -5.554 23 H MET 4 H MET 4 -11.731 -8.021 -1.675 24 HA MET 4 HA MET 4 -11.489 -7.649 0.571 25 HB2 MET 4 2HB MET 4 -11.445 -4.756 -0.307 26 HB3 MET 4 1HB MET 4 -10.705 -5.430 1.139 27 HG2 MET 4 2HG MET 4 -9.203 -6.764 -0.287 28 HG3 MET 4 1HG MET 4 -9.909 -5.994 -1.707 29 HE1 MET 4 3HE MET 4 -7.420 -5.219 -2.493 30 HE2 MET 4 1HE MET 4 -6.821 -6.082 -1.077 31 HE3 MET 4 2HE MET 4 -6.297 -4.428 -1.388 32 H GLY 5 H GLY 5 -12.300 -5.270 2.056 33 HA2 GLY 5 2HA GLY 5 -15.159 -5.025 1.770 34 HA3 GLY 5 1HA GLY 5 -14.671 -6.009 3.139 35 H SER 6 H SER 6 -15.241 -2.892 2.016 36 HA SER 6 HA SER 6 -15.232 -0.860 3.015 37 HB2 SER 6 2HB SER 6 -16.067 -2.069 5.015 38 HB3 SER 6 1HB SER 6 -14.398 -2.329 5.522 39 HG SER 6 HG SER 6 -15.941 -0.197 5.932 40 H LYS 7 H LYS 7 -12.604 -2.716 2.528 41 HA LYS 7 HA LYS 7 -10.598 -0.952 3.633 42 HB2 LYS 7 2HB LYS 7 -10.299 -3.280 1.724 43 HB3 LYS 7 1HB LYS 7 -8.990 -2.460 2.562 44 HG2 LYS 7 2HG LYS 7 -11.221 -3.943 3.935 45 HG3 LYS 7 1HG LYS 7 -9.633 -4.624 3.577 46 HD2 LYS 7 2HD LYS 7 -8.566 -2.964 4.978 47 HD3 LYS 7 1HD LYS 7 -10.114 -2.171 5.266 48 HE2 LYS 7 2HE LYS 7 -9.433 -3.587 7.154 49 HE3 LYS 7 1HE LYS 7 -10.940 -4.135 6.419 50 HZ1 LYS 7 3HZ LYS 7 -8.250 -5.310 5.961 51 HZ2 LYS 7 1HZ LYS 7 -9.680 -5.824 5.215 52 HZ3 LYS 7 2HZ LYS 7 -9.490 -5.993 6.887 53 H GLY 8 H GLY 8 -12.138 -1.606 0.558 54 HA2 GLY 8 2HA GLY 8 -10.353 -0.004 -1.004 55 HA3 GLY 8 1HA GLY 8 -11.934 -0.587 -1.504 56 H VAL 9 H VAL 9 -13.551 0.574 0.416 57 HA VAL 9 HA VAL 9 -13.735 3.235 -0.608 58 HB VAL 9 HB VAL 9 -15.722 3.433 0.842 59 HG11 VAL 9 1HG1 VAL 9 -15.559 0.893 -0.771 60 HG12 VAL 9 2HG1 VAL 9 -15.944 2.500 -1.386 61 HG13 VAL 9 3HG1 VAL 9 -17.050 1.692 -0.275 62 HG21 VAL 9 3HG2 VAL 9 -14.976 0.647 1.729 63 HG22 VAL 9 1HG2 VAL 9 -16.491 1.470 2.104 64 HG23 VAL 9 2HG2 VAL 9 -14.967 2.100 2.730 65 H THR 10 H THR 10 -12.855 1.843 2.535 66 HA THR 10 HA THR 10 -12.433 4.535 3.605 67 HB THR 10 HB THR 10 -12.280 1.865 5.014 68 HG1 THR 10 1HG THR 10 -14.268 3.671 5.665 69 HG21 THR 10 3HG2 THR 10 -10.893 3.560 6.101 70 HG22 THR 10 1HG2 THR 10 -12.320 3.201 7.075 71 HG23 THR 10 2HG2 THR 10 -12.257 4.678 6.115 72 H ALA 11 H ALA 11 -10.598 1.468 3.798 73 HA ALA 11 HA ALA 11 -8.151 2.727 4.407 74 HB1 ALA 11 1HB ALA 11 -7.124 0.564 4.015 75 HB2 ALA 11 2HB ALA 11 -8.584 -0.003 3.205 76 HB3 ALA 11 3HB ALA 11 -8.623 0.377 4.926 77 H GLY 12 H GLY 12 -9.833 2.902 1.591 78 HA2 GLY 12 2HA GLY 12 -7.822 2.511 -0.368 79 HA3 GLY 12 1HA GLY 12 -9.307 3.423 -0.583 80 H LYS 13 H LYS 13 -8.973 5.447 1.284 81 HA LYS 13 HA LYS 13 -7.259 7.197 -0.138 82 HB2 LYS 13 2HB LYS 13 -7.788 8.819 1.689 83 HB3 LYS 13 1HB LYS 13 -9.201 8.109 0.922 84 HG2 LYS 13 2HG LYS 13 -9.844 7.919 3.081 85 HG3 LYS 13 1HG LYS 13 -8.965 6.398 2.933 86 HD2 LYS 13 2HD LYS 13 -8.277 7.445 4.965 87 HD3 LYS 13 1HD LYS 13 -6.944 7.572 3.817 88 HE2 LYS 13 2HE LYS 13 -7.597 9.871 3.308 89 HE3 LYS 13 1HE LYS 13 -8.946 9.742 4.435 90 HZ1 LYS 13 3HZ LYS 13 -6.070 9.529 5.152 91 HZ2 LYS 13 1HZ LYS 13 -7.366 9.410 6.233 92 HZ3 LYS 13 2HZ LYS 13 -7.061 10.870 5.436 93 H ILE 14 H ILE 14 -6.871 5.284 2.763 94 HA ILE 14 HA ILE 14 -4.504 6.524 3.718 95 HB ILE 14 HB ILE 14 -5.533 3.709 4.125 96 HG12 ILE 14 2HG1 ILE 14 -7.041 5.396 5.013 97 HG13 ILE 14 1HG1 ILE 14 -6.227 4.578 6.341 98 HG21 ILE 14 1HG2 ILE 14 -3.153 3.745 4.523 99 HG22 ILE 14 2HG2 ILE 14 -4.003 3.638 6.064 100 HG23 ILE 14 3HG2 ILE 14 -3.312 5.176 5.542 101 HD11 ILE 14 3HD1 ILE 14 -5.475 7.264 5.222 102 HD12 ILE 14 1HD1 ILE 14 -4.712 6.454 6.589 103 HD13 ILE 14 2HD1 ILE 14 -6.390 6.984 6.705 104 H ALA 15 H ALA 15 -5.134 3.852 1.523 105 HA ALA 15 HA ALA 15 -2.578 2.830 1.211 106 HB1 ALA 15 1HB ALA 15 -3.317 1.983 -0.941 107 HB2 ALA 15 2HB ALA 15 -4.680 3.102 -0.934 108 HB3 ALA 15 3HB ALA 15 -4.597 1.805 0.258 109 H SER 16 H SER 16 -4.141 5.397 -0.676 110 HA SER 16 HA SER 16 -1.964 5.993 -2.331 111 HB2 SER 16 2HB SER 16 -4.235 6.802 -2.788 112 HB3 SER 16 1HB SER 16 -4.161 7.841 -1.366 113 HG SER 16 HG SER 16 -3.150 8.237 -3.862 114 H ASN 17 H ASN 17 -2.774 7.055 0.908 115 HA ASN 17 HA ASN 17 -0.874 9.165 1.045 116 HB2 ASN 17 2HB ASN 17 -2.723 7.802 2.889 117 HB3 ASN 17 1HB ASN 17 -1.300 8.500 3.650 118 HD21 ASN 17 1HD2 ASN 17 -4.207 9.139 1.868 119 HD22 ASN 17 2HD2 ASN 17 -4.251 10.843 2.151 120 H VAL 18 H VAL 18 -0.815 5.791 2.206 121 HA VAL 18 HA VAL 18 1.738 5.969 3.400 122 HB VAL 18 HB VAL 18 1.758 3.524 3.375 123 HG11 VAL 18 1HG1 VAL 18 0.537 4.651 5.136 124 HG12 VAL 18 2HG1 VAL 18 -0.288 3.159 4.689 125 HG13 VAL 18 3HG1 VAL 18 -0.907 4.712 4.127 126 HG21 VAL 18 3HG2 VAL 18 -0.021 2.235 2.382 127 HG22 VAL 18 1HG2 VAL 18 0.757 3.219 1.142 128 HG23 VAL 18 2HG2 VAL 18 -0.803 3.705 1.805 129 H GLN 19 H GLN 19 0.686 5.391 0.116 130 HA GLN 19 HA GLN 19 2.986 4.287 -0.992 131 HB2 GLN 19 2HB GLN 19 0.973 6.217 -2.142 132 HB3 GLN 19 1HB GLN 19 2.251 5.489 -3.098 133 HG2 GLN 19 2HG GLN 19 0.290 3.828 -1.561 134 HG3 GLN 19 1HG GLN 19 -0.041 4.403 -3.194 135 HE21 GLN 19 1HE2 GLN 19 0.266 1.684 -2.192 136 HE22 GLN 19 2HE2 GLN 19 1.548 0.977 -3.109 137 H LYS 20 H LYS 20 2.136 7.677 -0.407 138 HA LYS 20 HA LYS 20 4.347 8.870 -1.615 139 HB2 LYS 20 2HB LYS 20 3.350 10.061 0.928 140 HB3 LYS 20 1HB LYS 20 3.693 10.836 -0.608 141 HG2 LYS 20 2HG LYS 20 1.268 9.174 0.045 142 HG3 LYS 20 1HG LYS 20 1.330 10.929 -0.100 143 HD2 LYS 20 2HD LYS 20 1.957 8.995 -2.328 144 HD3 LYS 20 1HD LYS 20 0.404 9.801 -2.100 145 HE2 LYS 20 2HE LYS 20 1.478 11.972 -2.358 146 HE3 LYS 20 1HE LYS 20 3.048 11.190 -2.533 147 HZ1 LYS 20 3HZ LYS 20 0.744 10.865 -4.377 148 HZ2 LYS 20 1HZ LYS 20 2.254 10.120 -4.547 149 HZ3 LYS 20 2HZ LYS 20 2.120 11.801 -4.675 150 H LYS 21 H LYS 21 3.873 7.648 1.648 151 HA LYS 21 HA LYS 21 6.446 8.354 2.630 152 HB2 LYS 21 2HB LYS 21 4.194 6.617 3.551 153 HB3 LYS 21 1HB LYS 21 5.750 6.481 4.346 154 HG2 LYS 21 2HG LYS 21 4.525 7.995 5.642 155 HG3 LYS 21 1HG LYS 21 5.625 8.994 4.691 156 HD2 LYS 21 2HD LYS 21 3.868 9.561 3.153 157 HD3 LYS 21 1HD LYS 21 2.763 8.424 3.930 158 HE2 LYS 21 2HE LYS 21 2.908 9.754 6.004 159 HE3 LYS 21 1HE LYS 21 3.938 10.913 5.164 160 HZ1 LYS 21 3HZ LYS 21 1.635 11.644 5.229 161 HZ2 LYS 21 1HZ LYS 21 1.141 10.241 4.422 162 HZ3 LYS 21 2HZ LYS 21 2.128 11.367 3.636 163 H LEU 22 H LEU 22 5.129 5.635 0.939 164 HA LEU 22 HA LEU 22 7.332 3.871 1.470 165 HB2 LEU 22 2HB LEU 22 5.333 2.729 1.271 166 HB3 LEU 22 1HB LEU 22 4.763 3.740 -0.040 167 HG LEU 22 HG LEU 22 6.396 2.631 -1.543 168 HD11 LEU 22 1HD1 LEU 22 6.783 0.761 0.793 169 HD12 LEU 22 2HD1 LEU 22 7.989 1.882 0.163 170 HD13 LEU 22 3HD1 LEU 22 7.429 0.539 -0.834 171 HD21 LEU 22 3HD2 LEU 22 5.126 0.558 -1.764 172 HD22 LEU 22 1HD2 LEU 22 4.064 1.935 -1.470 173 HD23 LEU 22 2HD2 LEU 22 4.432 0.810 -0.162 174 H THR 23 H THR 23 6.551 6.280 -0.877 175 HA THR 23 HA THR 23 8.030 5.230 -3.049 176 HB THR 23 HB THR 23 6.342 7.252 -2.985 177 HG1 THR 23 1HG THR 23 7.058 7.691 -5.009 178 HG21 THR 23 3HG2 THR 23 7.802 8.617 -1.484 179 HG22 THR 23 1HG2 THR 23 7.378 9.421 -2.995 180 HG23 THR 23 2HG2 THR 23 8.978 8.708 -2.793 181 H ARG 24 H ARG 24 8.890 7.099 -0.213 182 HA ARG 24 HA ARG 24 11.513 7.795 -1.031 183 HB2 ARG 24 2HB ARG 24 10.045 7.694 1.564 184 HB3 ARG 24 1HB ARG 24 11.801 7.763 1.618 185 HG2 ARG 24 2HG ARG 24 11.028 9.983 1.778 186 HG3 ARG 24 1HG ARG 24 11.660 9.789 0.143 187 HD2 ARG 24 2HD ARG 24 9.270 9.286 -0.553 188 HD3 ARG 24 1HD ARG 24 8.793 9.887 1.034 189 HE ARG 24 HE ARG 24 10.437 11.805 -0.150 190 HH11 ARG 24 1HH1 ARG 24 7.301 10.366 -0.640 191 HH12 ARG 24 2HH1 ARG 24 6.638 11.764 -1.417 192 HH21 ARG 24 1HH2 ARG 24 9.571 13.649 -1.173 193 HH22 ARG 24 2HH2 ARG 24 7.928 13.630 -1.720 194 H ALA 25 H ALA 25 10.193 5.148 0.910 195 HA ALA 25 HA ALA 25 12.624 3.820 1.411 196 HB1 ALA 25 1HB ALA 25 9.860 2.628 1.193 197 HB2 ALA 25 2HB ALA 25 10.550 3.355 2.644 198 HB3 ALA 25 3HB ALA 25 11.258 1.886 1.971 199 H GLN 26 H GLN 26 10.344 3.686 -1.252 200 HA GLN 26 HA GLN 26 11.335 1.435 -2.583 201 HB2 GLN 26 2HB GLN 26 9.854 3.885 -3.501 202 HB3 GLN 26 1HB GLN 26 10.388 2.670 -4.656 203 HG2 GLN 26 2HG GLN 26 9.108 0.971 -3.461 204 HG3 GLN 26 1HG GLN 26 8.569 2.187 -2.308 205 HE21 GLN 26 1HE2 GLN 26 7.066 3.727 -2.945 206 HE22 GLN 26 2HE2 GLN 26 6.118 3.552 -4.378 207 H GLU 27 H GLU 27 12.192 4.866 -2.918 208 HA GLU 27 HA GLU 27 14.138 4.424 -4.921 209 HB2 GLU 27 2HB GLU 27 13.958 6.720 -2.967 210 HB3 GLU 27 1HB GLU 27 14.907 6.687 -4.448 211 HG2 GLU 27 2HG GLU 27 12.850 6.476 -5.757 212 HG3 GLU 27 1HG GLU 27 11.907 6.546 -4.270 213 H LYS 28 H LYS 28 14.211 4.239 -1.433 214 HA LYS 28 HA LYS 28 17.051 4.331 -1.191 215 HB2 LYS 28 2HB LYS 28 15.570 4.905 0.677 216 HB3 LYS 28 1HB LYS 28 15.004 3.239 0.738 217 HG2 LYS 28 2HG LYS 28 17.168 2.456 1.378 218 HG3 LYS 28 1HG LYS 28 17.873 4.053 1.125 219 HD2 LYS 28 2HD LYS 28 17.567 3.778 3.472 220 HD3 LYS 28 1HD LYS 28 16.333 4.909 2.913 221 HE2 LYS 28 2HE LYS 28 14.678 3.135 2.897 222 HE3 LYS 28 1HE LYS 28 15.903 1.957 3.364 223 HZ1 LYS 28 3HZ LYS 28 14.592 2.647 5.261 224 HZ2 LYS 28 1HZ LYS 28 15.006 4.268 5.001 225 HZ3 LYS 28 2HZ LYS 28 16.195 3.152 5.449 226 H VAL 29 H VAL 29 14.700 1.666 -1.359 227 HA VAL 29 HA VAL 29 16.490 -0.410 -0.799 228 HB VAL 29 HB VAL 29 14.946 -1.913 -2.002 229 HG11 VAL 29 1HG1 VAL 29 13.605 0.087 -0.183 230 HG12 VAL 29 2HG1 VAL 29 14.512 -1.340 0.320 231 HG13 VAL 29 3HG1 VAL 29 12.995 -1.525 -0.561 232 HG21 VAL 29 3HG2 VAL 29 13.025 -1.157 -3.136 233 HG22 VAL 29 1HG2 VAL 29 14.363 -0.194 -3.764 234 HG23 VAL 29 2HG2 VAL 29 13.255 0.500 -2.581 235 H LEU 30 H LEU 30 15.895 1.393 -3.727 236 HA LEU 30 HA LEU 30 17.100 -0.287 -5.595 237 HB2 LEU 30 2HB LEU 30 17.221 2.733 -5.539 238 HB3 LEU 30 1HB LEU 30 17.453 1.713 -6.945 239 HG LEU 30 HG LEU 30 14.861 1.821 -5.415 240 HD11 LEU 30 1HD1 LEU 30 15.348 4.051 -6.256 241 HD12 LEU 30 2HD1 LEU 30 14.049 3.307 -7.190 242 HD13 LEU 30 3HD1 LEU 30 15.678 3.388 -7.859 243 HD21 LEU 30 3HD2 LEU 30 13.949 0.876 -7.485 244 HD22 LEU 30 1HD2 LEU 30 15.180 -0.168 -6.775 245 HD23 LEU 30 2HD2 LEU 30 15.572 0.832 -8.174 246 H GLN 31 H GLN 31 18.470 1.915 -3.238 247 HA GLN 31 HA GLN 31 21.111 1.987 -4.213 248 HB2 GLN 31 2HB GLN 31 19.979 2.359 -1.436 249 HB3 GLN 31 1HB GLN 31 21.683 2.579 -1.812 250 HG2 GLN 31 2HG GLN 31 21.089 4.328 -3.424 251 HG3 GLN 31 1HG GLN 31 19.390 4.121 -3.005 252 HE21 GLN 31 1HE2 GLN 31 19.975 3.680 -0.180 253 HE22 GLN 31 2HE2 GLN 31 20.373 5.229 0.475 254 H LYS 32 H LYS 32 19.341 -0.376 -2.399 255 HA LYS 32 HA LYS 32 21.623 -1.839 -1.466 256 HB2 LYS 32 2HB LYS 32 18.757 -2.763 -1.760 257 HB3 LYS 32 1HB LYS 32 20.006 -3.534 -0.794 258 HG2 LYS 32 2HG LYS 32 20.047 -1.730 0.749 259 HG3 LYS 32 1HG LYS 32 19.034 -0.734 -0.298 260 HD2 LYS 32 2HD LYS 32 17.166 -2.252 0.017 261 HD3 LYS 32 1HD LYS 32 18.176 -3.324 0.991 262 HE2 LYS 32 2HE LYS 32 18.423 -1.611 2.680 263 HE3 LYS 32 1HE LYS 32 17.528 -0.462 1.687 264 HZ1 LYS 32 3HZ LYS 32 16.162 -1.455 3.442 265 HZ2 LYS 32 1HZ LYS 32 16.416 -2.991 2.780 266 HZ3 LYS 32 2HZ LYS 32 15.566 -1.822 1.903 267 H LEU 33 H LEU 33 19.238 -2.299 -4.051 268 HA LEU 33 HA LEU 33 20.607 -4.600 -5.118 269 HB2 LEU 33 2HB LEU 33 18.493 -3.047 -6.568 270 HB3 LEU 33 1HB LEU 33 18.840 -4.763 -6.649 271 HG LEU 33 HG LEU 33 17.644 -3.374 -4.259 272 HD11 LEU 33 1HD1 LEU 33 16.102 -3.257 -6.109 273 HD12 LEU 33 2HD1 LEU 33 15.542 -4.458 -4.943 274 HD13 LEU 33 3HD1 LEU 33 16.322 -4.977 -6.439 275 HD21 LEU 33 3HD2 LEU 33 18.874 -5.419 -3.720 276 HD22 LEU 33 1HD2 LEU 33 17.930 -6.303 -4.920 277 HD23 LEU 33 2HD2 LEU 33 17.138 -5.633 -3.494 278 H TYR 34 H TYR 34 19.602 -1.618 -6.763 279 HA TYR 34 HA TYR 34 21.599 -1.828 -8.761 280 HB2 TYR 34 2HB TYR 34 19.959 0.588 -7.966 281 HB3 TYR 34 1HB TYR 34 20.823 0.374 -9.485 282 HD1 TYR 34 2HD TYR 34 17.895 -0.648 -7.517 283 HD2 TYR 34 1HD TYR 34 19.945 -1.055 -11.225 284 HE1 TYR 34 2HE TYR 34 15.899 -1.695 -8.500 285 HE2 TYR 34 1HE TYR 34 17.953 -2.101 -12.217 286 HH TYR 34 HH TYR 34 14.902 -2.088 -10.667 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -5.713 -4.224 -6.685 2 H2 MET 1 2HT MET 1 -5.634 -4.903 -5.138 3 H3 MET 1 3HT MET 1 -5.525 -3.226 -5.332 4 HA MET 1 HA MET 1 -7.699 -3.883 -4.517 5 HB2 MET 1 2HB MET 1 -7.646 -2.808 -7.343 6 HB3 MET 1 1HB MET 1 -9.035 -2.723 -6.268 7 HG2 MET 1 2HG MET 1 -6.354 -1.442 -5.788 8 HG3 MET 1 1HG MET 1 -7.816 -0.619 -6.330 9 HE1 MET 1 2HE MET 1 -7.293 0.631 -2.621 10 HE2 MET 1 3HE MET 1 -7.407 1.117 -4.313 11 HE3 MET 1 1HE MET 1 -6.011 0.197 -3.751 12 H ALA 2 H ALA 2 -8.902 -5.624 -4.306 13 HA ALA 2 HA ALA 2 -10.054 -6.959 -6.562 14 HB1 ALA 2 1HB ALA 2 -8.096 -8.516 -4.879 15 HB2 ALA 2 2HB ALA 2 -7.842 -8.013 -6.549 16 HB3 ALA 2 3HB ALA 2 -9.117 -9.168 -6.160 17 H GLU 3 H GLU 3 -9.390 -6.968 -3.108 18 HA GLU 3 HA GLU 3 -11.636 -8.598 -2.419 19 HB2 GLU 3 2HB GLU 3 -10.047 -6.727 -0.655 20 HB3 GLU 3 1HB GLU 3 -11.086 -8.039 -0.120 21 HG2 GLU 3 2HG GLU 3 -9.578 -9.638 -1.262 22 HG3 GLU 3 1HG GLU 3 -8.508 -8.291 -1.650 23 H MET 4 H MET 4 -12.618 -7.048 -0.204 24 HA MET 4 HA MET 4 -13.609 -4.593 -1.025 25 HB2 MET 4 2HB MET 4 -15.985 -5.189 -1.290 26 HB3 MET 4 1HB MET 4 -14.971 -5.872 -2.553 27 HG2 MET 4 2HG MET 4 -14.953 -8.009 -1.330 28 HG3 MET 4 1HG MET 4 -16.061 -7.313 -0.150 29 HE1 MET 4 3HE MET 4 -18.409 -9.766 -2.062 30 HE2 MET 4 1HE MET 4 -17.851 -9.217 -0.482 31 HE3 MET 4 2HE MET 4 -16.728 -10.011 -1.586 32 H GLY 5 H GLY 5 -12.419 -5.887 1.239 33 HA2 GLY 5 2HA GLY 5 -14.419 -6.107 3.299 34 HA3 GLY 5 1HA GLY 5 -12.677 -6.161 3.523 35 H SER 6 H SER 6 -14.760 -3.639 2.128 36 HA SER 6 HA SER 6 -15.013 -1.434 2.613 37 HB2 SER 6 2HB SER 6 -15.954 -2.295 4.716 38 HB3 SER 6 1HB SER 6 -14.341 -2.327 5.428 39 HG SER 6 HG SER 6 -14.319 -0.171 5.526 40 H LYS 7 H LYS 7 -12.197 -2.830 2.361 41 HA LYS 7 HA LYS 7 -10.447 -0.876 3.556 42 HB2 LYS 7 2HB LYS 7 -9.806 -3.026 1.528 43 HB3 LYS 7 1HB LYS 7 -8.648 -2.133 2.502 44 HG2 LYS 7 2HG LYS 7 -10.743 -4.008 3.583 45 HG3 LYS 7 1HG LYS 7 -9.041 -4.406 3.339 46 HD2 LYS 7 2HD LYS 7 -8.440 -2.577 4.904 47 HD3 LYS 7 1HD LYS 7 -10.159 -2.314 5.203 48 HE2 LYS 7 2HE LYS 7 -10.357 -4.623 6.015 49 HE3 LYS 7 1HE LYS 7 -8.631 -4.858 5.744 50 HZ1 LYS 7 3HZ LYS 7 -9.062 -4.363 8.051 51 HZ2 LYS 7 1HZ LYS 7 -9.858 -2.928 7.639 52 HZ3 LYS 7 2HZ LYS 7 -8.198 -3.086 7.354 53 H GLY 8 H GLY 8 -11.789 -1.560 0.382 54 HA2 GLY 8 2HA GLY 8 -10.151 0.312 -1.024 55 HA3 GLY 8 1HA GLY 8 -11.620 -0.439 -1.624 56 H VAL 9 H VAL 9 -13.455 0.457 0.262 57 HA VAL 9 HA VAL 9 -13.943 3.088 -0.721 58 HB VAL 9 HB VAL 9 -15.965 3.026 0.677 59 HG11 VAL 9 1HG1 VAL 9 -16.013 2.040 -1.541 60 HG12 VAL 9 2HG1 VAL 9 -17.038 1.122 -0.436 61 HG13 VAL 9 3HG1 VAL 9 -15.450 0.502 -0.887 62 HG21 VAL 9 3HG2 VAL 9 -15.109 1.837 2.605 63 HG22 VAL 9 1HG2 VAL 9 -14.857 0.388 1.633 64 HG23 VAL 9 2HG2 VAL 9 -16.493 0.971 1.938 65 H THR 10 H THR 10 -12.870 1.791 2.396 66 HA THR 10 HA THR 10 -12.768 4.528 3.461 67 HB THR 10 HB THR 10 -12.477 1.900 4.927 68 HG1 THR 10 1HG THR 10 -14.577 2.259 5.574 69 HG21 THR 10 3HG2 THR 10 -12.719 3.279 6.959 70 HG22 THR 10 1HG2 THR 10 -12.676 4.732 5.960 71 HG23 THR 10 2HG2 THR 10 -11.261 3.682 6.052 72 H ALA 11 H ALA 11 -10.733 1.609 3.804 73 HA ALA 11 HA ALA 11 -8.402 3.036 4.487 74 HB1 ALA 11 1HB ALA 11 -7.234 0.938 4.218 75 HB2 ALA 11 2HB ALA 11 -8.595 0.266 3.322 76 HB3 ALA 11 3HB ALA 11 -8.777 0.667 5.030 77 H GLY 12 H GLY 12 -9.952 3.106 1.615 78 HA2 GLY 12 2HA GLY 12 -7.864 2.743 -0.264 79 HA3 GLY 12 1HA GLY 12 -9.366 3.606 -0.546 80 H LYS 13 H LYS 13 -9.118 5.662 1.341 81 HA LYS 13 HA LYS 13 -7.450 7.444 -0.096 82 HB2 LYS 13 2HB LYS 13 -8.103 9.118 1.548 83 HB3 LYS 13 1HB LYS 13 -9.499 8.190 1.020 84 HG2 LYS 13 2HG LYS 13 -9.924 8.173 3.233 85 HG3 LYS 13 1HG LYS 13 -8.857 6.769 3.182 86 HD2 LYS 13 2HD LYS 13 -8.193 8.201 5.004 87 HD3 LYS 13 1HD LYS 13 -6.952 8.251 3.752 88 HE2 LYS 13 2HE LYS 13 -7.383 10.481 4.616 89 HE3 LYS 13 1HE LYS 13 -7.876 10.367 2.928 90 HZ1 LYS 13 3HZ LYS 13 -9.525 11.536 4.233 91 HZ2 LYS 13 1HZ LYS 13 -9.684 10.217 5.280 92 HZ3 LYS 13 2HZ LYS 13 -10.167 10.079 3.666 93 H ILE 14 H ILE 14 -7.036 5.636 2.886 94 HA ILE 14 HA ILE 14 -4.674 6.971 3.749 95 HB ILE 14 HB ILE 14 -5.663 4.182 4.382 96 HG12 ILE 14 2HG1 ILE 14 -6.021 5.519 6.658 97 HG13 ILE 14 1HG1 ILE 14 -6.139 6.884 5.551 98 HG21 ILE 14 1HG2 ILE 14 -4.120 4.282 6.301 99 HG22 ILE 14 2HG2 ILE 14 -3.473 5.799 5.677 100 HG23 ILE 14 3HG2 ILE 14 -3.277 4.310 4.752 101 HD11 ILE 14 3HD1 ILE 14 -7.932 5.718 4.345 102 HD12 ILE 14 1HD1 ILE 14 -8.328 6.010 6.039 103 HD13 ILE 14 2HD1 ILE 14 -7.834 4.400 5.512 104 H ALA 15 H ALA 15 -5.291 4.161 1.698 105 HA ALA 15 HA ALA 15 -2.724 3.136 1.486 106 HB1 ALA 15 1HB ALA 15 -4.699 2.028 0.563 107 HB2 ALA 15 2HB ALA 15 -3.427 2.188 -0.648 108 HB3 ALA 15 3HB ALA 15 -4.816 3.274 -0.681 109 H SER 16 H SER 16 -4.265 5.647 -0.479 110 HA SER 16 HA SER 16 -2.091 6.158 -2.172 111 HB2 SER 16 2HB SER 16 -4.299 8.021 -1.265 112 HB3 SER 16 1HB SER 16 -3.205 8.334 -2.612 113 HG SER 16 HG SER 16 -5.406 6.709 -2.478 114 H ASN 17 H ASN 17 -2.902 7.347 1.020 115 HA ASN 17 HA ASN 17 -0.967 9.428 1.105 116 HB2 ASN 17 2HB ASN 17 -2.799 8.101 3.020 117 HB3 ASN 17 1HB ASN 17 -1.421 8.944 3.712 118 HD21 ASN 17 1HD2 ASN 17 -4.265 9.542 3.880 119 HD22 ASN 17 2HD2 ASN 17 -4.455 11.146 3.266 120 H VAL 18 H VAL 18 -1.013 6.139 2.477 121 HA VAL 18 HA VAL 18 1.574 6.266 3.595 122 HB VAL 18 HB VAL 18 1.458 3.836 3.763 123 HG11 VAL 18 1HG1 VAL 18 -0.647 3.661 5.058 124 HG12 VAL 18 2HG1 VAL 18 -1.132 5.231 4.417 125 HG13 VAL 18 3HG1 VAL 18 0.294 5.102 5.446 126 HG21 VAL 18 3HG2 VAL 18 0.477 3.370 1.572 127 HG22 VAL 18 1HG2 VAL 18 -1.056 4.050 2.115 128 HG23 VAL 18 2HG2 VAL 18 -0.428 2.583 2.864 129 H GLN 19 H GLN 19 0.381 5.569 0.402 130 HA GLN 19 HA GLN 19 2.497 4.197 -0.727 131 HB2 GLN 19 2HB GLN 19 0.164 5.122 -1.667 132 HB3 GLN 19 1HB GLN 19 1.234 6.338 -2.353 133 HG2 GLN 19 2HG GLN 19 2.553 4.560 -3.407 134 HG3 GLN 19 1HG GLN 19 1.439 3.366 -2.743 135 HE21 GLN 19 1HE2 GLN 19 0.407 6.481 -3.926 136 HE22 GLN 19 2HE2 GLN 19 -0.425 5.896 -5.322 137 H LYS 20 H LYS 20 2.113 7.676 -0.188 138 HA LYS 20 HA LYS 20 4.424 8.495 -1.586 139 HB2 LYS 20 2HB LYS 20 3.670 10.017 0.850 140 HB3 LYS 20 1HB LYS 20 4.012 10.595 -0.773 141 HG2 LYS 20 2HG LYS 20 1.453 9.310 0.159 142 HG3 LYS 20 1HG LYS 20 1.707 11.021 -0.174 143 HD2 LYS 20 2HD LYS 20 1.972 8.809 -2.208 144 HD3 LYS 20 1HD LYS 20 0.543 9.823 -1.998 145 HE2 LYS 20 2HE LYS 20 1.905 11.811 -2.498 146 HE3 LYS 20 1HE LYS 20 3.310 10.774 -2.743 147 HZ1 LYS 20 3HZ LYS 20 2.309 11.338 -4.846 148 HZ2 LYS 20 1HZ LYS 20 0.808 10.739 -4.345 149 HZ3 LYS 20 2HZ LYS 20 2.111 9.682 -4.559 150 H LYS 21 H LYS 21 3.846 7.443 1.708 151 HA LYS 21 HA LYS 21 6.456 7.952 2.691 152 HB2 LYS 21 2HB LYS 21 4.089 6.375 3.616 153 HB3 LYS 21 1HB LYS 21 5.628 6.199 4.437 154 HG2 LYS 21 2HG LYS 21 5.597 8.351 5.253 155 HG3 LYS 21 1HG LYS 21 4.515 8.925 3.981 156 HD2 LYS 21 2HD LYS 21 2.666 7.710 4.971 157 HD3 LYS 21 1HD LYS 21 3.735 7.046 6.209 158 HE2 LYS 21 2HE LYS 21 4.195 9.359 6.980 159 HE3 LYS 21 1HE LYS 21 3.013 9.948 5.811 160 HZ1 LYS 21 3HZ LYS 21 2.045 9.729 8.010 161 HZ2 LYS 21 1HZ LYS 21 2.446 8.086 8.056 162 HZ3 LYS 21 2HZ LYS 21 1.311 8.650 6.936 163 H LEU 22 H LEU 22 4.959 5.265 1.041 164 HA LEU 22 HA LEU 22 7.172 3.475 1.576 165 HB2 LEU 22 2HB LEU 22 4.796 3.116 -0.252 166 HB3 LEU 22 1HB LEU 22 5.928 1.866 0.226 167 HG LEU 22 HG LEU 22 4.089 3.330 2.110 168 HD11 LEU 22 1HD1 LEU 22 2.833 1.928 0.566 169 HD12 LEU 22 2HD1 LEU 22 2.824 1.239 2.190 170 HD13 LEU 22 3HD1 LEU 22 3.875 0.557 0.950 171 HD21 LEU 22 3HD2 LEU 22 4.737 1.597 3.710 172 HD22 LEU 22 1HD2 LEU 22 6.133 2.535 3.179 173 HD23 LEU 22 2HD2 LEU 22 5.855 0.920 2.526 174 H THR 23 H THR 23 6.338 5.858 -0.687 175 HA THR 23 HA THR 23 7.611 4.810 -2.985 176 HB THR 23 HB THR 23 6.054 6.985 -2.592 177 HG1 THR 23 1HG THR 23 7.777 7.241 -4.752 178 HG21 THR 23 3HG2 THR 23 7.314 9.013 -2.977 179 HG22 THR 23 1HG2 THR 23 8.828 8.107 -3.009 180 HG23 THR 23 2HG2 THR 23 7.909 8.237 -1.510 181 H ARG 24 H ARG 24 8.759 6.649 -0.203 182 HA ARG 24 HA ARG 24 11.338 7.196 -1.272 183 HB2 ARG 24 2HB ARG 24 11.990 7.764 0.990 184 HB3 ARG 24 1HB ARG 24 10.421 8.462 0.618 185 HG2 ARG 24 2HG ARG 24 9.296 6.969 1.999 186 HG3 ARG 24 1HG ARG 24 10.660 5.848 2.056 187 HD2 ARG 24 2HD ARG 24 11.940 7.401 3.363 188 HD3 ARG 24 1HD ARG 24 10.688 8.629 3.201 189 HE ARG 24 HE ARG 24 9.495 6.418 4.374 190 HH11 ARG 24 1HH1 ARG 24 12.039 8.675 5.130 191 HH12 ARG 24 2HH1 ARG 24 11.801 8.569 6.842 192 HH21 ARG 24 1HH2 ARG 24 9.172 6.274 6.627 193 HH22 ARG 24 2HH2 ARG 24 10.172 7.203 7.693 194 H ALA 25 H ALA 25 9.906 4.536 0.484 195 HA ALA 25 HA ALA 25 12.235 3.133 1.178 196 HB1 ALA 25 1HB ALA 25 10.798 1.166 1.341 197 HB2 ALA 25 2HB ALA 25 9.525 2.008 0.459 198 HB3 ALA 25 3HB ALA 25 10.011 2.573 2.058 199 H GLN 26 H GLN 26 10.283 3.165 -1.751 200 HA GLN 26 HA GLN 26 11.565 1.094 -3.134 201 HB2 GLN 26 2HB GLN 26 10.077 3.541 -4.076 202 HB3 GLN 26 1HB GLN 26 10.706 2.334 -5.192 203 HG2 GLN 26 2HG GLN 26 9.373 0.621 -3.953 204 HG3 GLN 26 1HG GLN 26 8.634 1.941 -3.051 205 HE21 GLN 26 1HE2 GLN 26 8.656 3.729 -5.372 206 HE22 GLN 26 2HE2 GLN 26 7.384 3.182 -6.403 207 H GLU 27 H GLU 27 12.219 4.582 -3.046 208 HA GLU 27 HA GLU 27 14.358 4.482 -4.898 209 HB2 GLU 27 2HB GLU 27 13.909 6.533 -2.729 210 HB3 GLU 27 1HB GLU 27 14.876 6.726 -4.187 211 HG2 GLU 27 2HG GLU 27 12.892 6.579 -5.563 212 HG3 GLU 27 1HG GLU 27 11.898 6.285 -4.137 213 H LYS 28 H LYS 28 14.119 3.948 -1.466 214 HA LYS 28 HA LYS 28 16.892 4.174 -0.886 215 HB2 LYS 28 2HB LYS 28 15.197 4.460 0.840 216 HB3 LYS 28 1HB LYS 28 14.674 2.794 0.627 217 HG2 LYS 28 2HG LYS 28 17.526 3.202 1.249 218 HG3 LYS 28 1HG LYS 28 16.373 3.572 2.533 219 HD2 LYS 28 2HD LYS 28 15.428 1.344 2.370 220 HD3 LYS 28 1HD LYS 28 16.486 0.968 1.008 221 HE2 LYS 28 2HE LYS 28 17.326 0.002 3.092 222 HE3 LYS 28 1HE LYS 28 18.439 1.203 2.440 223 HZ1 LYS 28 3HZ LYS 28 16.507 1.648 4.652 224 HZ2 LYS 28 1HZ LYS 28 17.556 2.815 4.018 225 HZ3 LYS 28 2HZ LYS 28 18.180 1.463 4.820 226 H VAL 29 H VAL 29 14.763 1.402 -1.569 227 HA VAL 29 HA VAL 29 16.641 -0.605 -1.044 228 HB VAL 29 HB VAL 29 15.307 -2.061 -2.540 229 HG11 VAL 29 1HG1 VAL 29 13.695 -0.368 -0.630 230 HG12 VAL 29 2HG1 VAL 29 14.674 -1.773 -0.203 231 HG13 VAL 29 3HG1 VAL 29 13.244 -1.968 -1.218 232 HG21 VAL 29 3HG2 VAL 29 13.360 -1.259 -3.665 233 HG22 VAL 29 1HG2 VAL 29 14.727 -0.267 -4.175 234 HG23 VAL 29 2HG2 VAL 29 13.575 0.357 -2.994 235 H LEU 30 H LEU 30 16.183 1.442 -3.844 236 HA LEU 30 HA LEU 30 17.696 0.024 -5.715 237 HB2 LEU 30 2HB LEU 30 17.601 3.030 -5.421 238 HB3 LEU 30 1HB LEU 30 17.991 2.132 -6.874 239 HG LEU 30 HG LEU 30 15.295 1.979 -5.547 240 HD11 LEU 30 1HD1 LEU 30 15.688 4.295 -6.152 241 HD12 LEU 30 2HD1 LEU 30 14.530 3.564 -7.267 242 HD13 LEU 30 3HD1 LEU 30 16.203 3.804 -7.767 243 HD21 LEU 30 3HD2 LEU 30 15.881 0.141 -7.059 244 HD22 LEU 30 1HD2 LEU 30 16.217 1.308 -8.338 245 HD23 LEU 30 2HD2 LEU 30 14.578 1.135 -7.709 246 H GLN 31 H GLN 31 18.621 2.029 -3.018 247 HA GLN 31 HA GLN 31 21.304 2.507 -3.659 248 HB2 GLN 31 2HB GLN 31 19.961 2.204 -0.965 249 HB3 GLN 31 1HB GLN 31 21.603 2.792 -1.188 250 HG2 GLN 31 2HG GLN 31 20.857 4.738 -2.296 251 HG3 GLN 31 1HG GLN 31 19.223 4.099 -2.469 252 HE21 GLN 31 1HE2 GLN 31 21.086 3.756 0.457 253 HE22 GLN 31 2HE2 GLN 31 20.135 4.827 1.422 254 H LYS 32 H LYS 32 19.697 -0.282 -2.298 255 HA LYS 32 HA LYS 32 22.114 -1.624 -1.525 256 HB2 LYS 32 2HB LYS 32 19.273 -2.603 -1.839 257 HB3 LYS 32 1HB LYS 32 20.592 -3.595 -1.234 258 HG2 LYS 32 2HG LYS 32 19.659 -1.031 0.037 259 HG3 LYS 32 1HG LYS 32 19.170 -2.647 0.547 260 HD2 LYS 32 2HD LYS 32 21.527 -3.197 0.996 261 HD3 LYS 32 1HD LYS 32 21.985 -1.556 0.531 262 HE2 LYS 32 2HE LYS 32 21.851 -1.755 2.950 263 HE3 LYS 32 1HE LYS 32 20.605 -0.662 2.346 264 HZ1 LYS 32 3HZ LYS 32 19.712 -2.151 4.012 265 HZ2 LYS 32 1HZ LYS 32 20.198 -3.502 3.116 266 HZ3 LYS 32 2HZ LYS 32 19.001 -2.471 2.511 267 H LEU 33 H LEU 33 19.853 -1.837 -4.240 268 HA LEU 33 HA LEU 33 21.347 -3.941 -5.529 269 HB2 LEU 33 2HB LEU 33 19.238 -2.230 -6.817 270 HB3 LEU 33 1HB LEU 33 19.700 -3.870 -7.226 271 HG LEU 33 HG LEU 33 18.236 -3.023 -4.730 272 HD11 LEU 33 1HD1 LEU 33 16.338 -4.205 -5.718 273 HD12 LEU 33 2HD1 LEU 33 17.283 -4.497 -7.178 274 HD13 LEU 33 3HD1 LEU 33 16.855 -2.848 -6.720 275 HD21 LEU 33 3HD2 LEU 33 18.980 -5.769 -5.736 276 HD22 LEU 33 1HD2 LEU 33 17.965 -5.426 -4.333 277 HD23 LEU 33 2HD2 LEU 33 19.665 -4.956 -4.328 278 H TYR 34 H TYR 34 20.354 -0.782 -6.809 279 HA TYR 34 HA TYR 34 22.459 -0.665 -8.693 280 HB2 TYR 34 2HB TYR 34 20.665 1.528 -7.635 281 HB3 TYR 34 1HB TYR 34 21.703 1.666 -9.051 282 HD1 TYR 34 2HD TYR 34 18.688 0.028 -7.685 283 HD2 TYR 34 1HD TYR 34 21.073 0.712 -11.147 284 HE1 TYR 34 2HE TYR 34 16.888 -0.869 -9.100 285 HE2 TYR 34 1HE TYR 34 19.276 -0.183 -12.567 286 HH TYR 34 HH TYR 34 17.342 -1.664 -12.377 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -21.008 -10.383 -4.781 2 H2 MET 1 2HT MET 1 -22.357 -9.555 -5.377 3 H3 MET 1 3HT MET 1 -22.253 -9.924 -3.730 4 HA MET 1 HA MET 1 -20.475 -8.082 -5.217 5 HB2 MET 1 2HB MET 1 -21.543 -6.414 -3.571 6 HB3 MET 1 1HB MET 1 -22.493 -6.930 -4.957 7 HG2 MET 1 2HG MET 1 -23.918 -6.918 -3.060 8 HG3 MET 1 1HG MET 1 -23.610 -8.599 -3.490 9 HE1 MET 1 2HE MET 1 -24.861 -7.751 -0.721 10 HE2 MET 1 3HE MET 1 -23.944 -8.745 0.410 11 HE3 MET 1 1HE MET 1 -24.494 -9.430 -1.120 12 H ALA 2 H ALA 2 -19.451 -6.566 -3.439 13 HA ALA 2 HA ALA 2 -18.786 -7.804 -0.953 14 HB1 ALA 2 1HB ALA 2 -16.422 -8.169 -1.361 15 HB2 ALA 2 2HB ALA 2 -16.625 -7.701 -3.048 16 HB3 ALA 2 3HB ALA 2 -17.398 -9.165 -2.439 17 H GLU 3 H GLU 3 -19.677 -5.676 -0.539 18 HA GLU 3 HA GLU 3 -17.611 -3.733 -0.081 19 HB2 GLU 3 2HB GLU 3 -19.734 -3.283 -2.156 20 HB3 GLU 3 1HB GLU 3 -19.135 -1.923 -1.221 21 HG2 GLU 3 2HG GLU 3 -17.486 -3.742 -2.959 22 HG3 GLU 3 1HG GLU 3 -17.984 -2.097 -3.343 23 H MET 4 H MET 4 -19.638 -1.571 0.141 24 HA MET 4 HA MET 4 -20.858 -0.639 1.824 25 HB2 MET 4 2HB MET 4 -22.211 -3.341 1.752 26 HB3 MET 4 1HB MET 4 -22.875 -1.883 2.477 27 HG2 MET 4 2HG MET 4 -22.957 -0.808 0.310 28 HG3 MET 4 1HG MET 4 -22.211 -2.218 -0.440 29 HE1 MET 4 3HE MET 4 -24.192 -2.282 -2.227 30 HE2 MET 4 1HE MET 4 -24.929 -0.877 -1.457 31 HE3 MET 4 2HE MET 4 -25.899 -2.313 -1.786 32 H GLY 5 H GLY 5 -18.626 -1.073 2.944 33 HA2 GLY 5 2HA GLY 5 -19.250 -1.916 5.629 34 HA3 GLY 5 1HA GLY 5 -18.101 -2.968 4.815 35 H SER 6 H SER 6 -18.201 0.443 4.139 36 HA SER 6 HA SER 6 -16.590 2.039 4.288 37 HB2 SER 6 2HB SER 6 -16.291 0.913 7.080 38 HB3 SER 6 1HB SER 6 -15.841 2.529 6.543 39 HG SER 6 HG SER 6 -17.827 3.125 6.811 40 H LYS 7 H LYS 7 -15.774 -0.739 3.487 41 HA LYS 7 HA LYS 7 -13.051 -0.979 4.429 42 HB2 LYS 7 2HB LYS 7 -14.732 -2.548 2.488 43 HB3 LYS 7 1HB LYS 7 -13.012 -2.856 2.679 44 HG2 LYS 7 2HG LYS 7 -14.978 -2.940 4.954 45 HG3 LYS 7 1HG LYS 7 -14.514 -4.351 4.001 46 HD2 LYS 7 2HD LYS 7 -12.180 -4.029 4.650 47 HD3 LYS 7 1HD LYS 7 -12.631 -2.602 5.585 48 HE2 LYS 7 2HE LYS 7 -14.005 -3.969 7.050 49 HE3 LYS 7 1HE LYS 7 -13.640 -5.400 6.088 50 HZ1 LYS 7 3HZ LYS 7 -11.648 -3.790 7.592 51 HZ2 LYS 7 1HZ LYS 7 -11.321 -5.189 6.699 52 HZ3 LYS 7 2HZ LYS 7 -12.280 -5.277 8.089 53 H GLY 8 H GLY 8 -14.347 -0.932 1.112 54 HA2 GLY 8 2HA GLY 8 -11.866 -0.018 0.031 55 HA3 GLY 8 1HA GLY 8 -13.375 -0.200 -0.844 56 H VAL 9 H VAL 9 -14.872 1.612 0.889 57 HA VAL 9 HA VAL 9 -14.256 4.029 -0.483 58 HB VAL 9 HB VAL 9 -16.111 5.012 0.751 59 HG11 VAL 9 1HG1 VAL 9 -16.675 2.212 -0.208 60 HG12 VAL 9 2HG1 VAL 9 -16.618 3.667 -1.202 61 HG13 VAL 9 3HG1 VAL 9 -17.882 3.479 0.013 62 HG21 VAL 9 3HG2 VAL 9 -15.719 4.022 2.934 63 HG22 VAL 9 1HG2 VAL 9 -16.134 2.427 2.305 64 HG23 VAL 9 2HG2 VAL 9 -17.365 3.685 2.396 65 H THR 10 H THR 10 -13.521 2.799 2.705 66 HA THR 10 HA THR 10 -12.561 5.420 3.576 67 HB THR 10 HB THR 10 -12.622 2.826 5.125 68 HG1 THR 10 1HG THR 10 -14.431 5.031 5.110 69 HG21 THR 10 3HG2 THR 10 -12.379 4.297 7.088 70 HG22 THR 10 1HG2 THR 10 -12.210 5.683 6.010 71 HG23 THR 10 2HG2 THR 10 -10.993 4.406 6.003 72 H ALA 11 H ALA 11 -11.284 2.083 3.517 73 HA ALA 11 HA ALA 11 -8.614 2.780 4.014 74 HB1 ALA 11 1HB ALA 11 -9.627 0.362 2.534 75 HB2 ALA 11 2HB ALA 11 -9.525 0.515 4.288 76 HB3 ALA 11 3HB ALA 11 -8.055 0.537 3.314 77 H GLY 12 H GLY 12 -10.389 3.621 1.370 78 HA2 GLY 12 2HA GLY 12 -8.585 3.120 -0.761 79 HA3 GLY 12 1HA GLY 12 -9.880 4.308 -0.764 80 H LYS 13 H LYS 13 -9.114 5.990 1.276 81 HA LYS 13 HA LYS 13 -7.129 7.553 -0.013 82 HB2 LYS 13 2HB LYS 13 -7.356 9.063 1.923 83 HB3 LYS 13 1HB LYS 13 -8.911 8.613 1.241 84 HG2 LYS 13 2HG LYS 13 -9.512 8.171 3.336 85 HG3 LYS 13 1HG LYS 13 -8.546 6.705 3.163 86 HD2 LYS 13 2HD LYS 13 -7.925 7.843 5.200 87 HD3 LYS 13 1HD LYS 13 -6.590 7.929 4.051 88 HE2 LYS 13 2HE LYS 13 -7.192 10.201 3.471 89 HE3 LYS 13 1HE LYS 13 -8.616 10.118 4.507 90 HZ1 LYS 13 3HZ LYS 13 -7.179 9.885 6.423 91 HZ2 LYS 13 1HZ LYS 13 -6.780 11.290 5.570 92 HZ3 LYS 13 2HZ LYS 13 -5.803 9.915 5.440 93 H ILE 14 H ILE 14 -7.079 5.337 2.714 94 HA ILE 14 HA ILE 14 -4.498 6.037 3.667 95 HB ILE 14 HB ILE 14 -6.043 3.453 3.961 96 HG12 ILE 14 2HG1 ILE 14 -6.084 4.497 6.403 97 HG13 ILE 14 1HG1 ILE 14 -5.884 6.000 5.508 98 HG21 ILE 14 1HG2 ILE 14 -3.691 2.994 4.250 99 HG22 ILE 14 2HG2 ILE 14 -4.493 2.961 5.821 100 HG23 ILE 14 3HG2 ILE 14 -3.528 4.361 5.352 101 HD11 ILE 14 3HD1 ILE 14 -7.900 5.463 4.212 102 HD12 ILE 14 1HD1 ILE 14 -8.214 5.595 5.942 103 HD13 ILE 14 2HD1 ILE 14 -8.111 4.007 5.181 104 H ALA 15 H ALA 15 -5.661 3.723 1.267 105 HA ALA 15 HA ALA 15 -3.332 2.268 0.838 106 HB1 ALA 15 1HB ALA 15 -5.373 3.101 -1.221 107 HB2 ALA 15 2HB ALA 15 -5.487 1.689 -0.172 108 HB3 ALA 15 3HB ALA 15 -4.211 1.785 -1.386 109 H SER 16 H SER 16 -4.387 5.292 -0.660 110 HA SER 16 HA SER 16 -2.137 5.635 -2.308 111 HB2 SER 16 2HB SER 16 -4.224 6.889 -2.651 112 HB3 SER 16 1HB SER 16 -3.974 7.737 -1.125 113 HG SER 16 HG SER 16 -1.824 8.276 -2.244 114 H ASN 17 H ASN 17 -2.784 6.441 1.028 115 HA ASN 17 HA ASN 17 -0.571 8.161 1.439 116 HB2 ASN 17 2HB ASN 17 -2.399 6.632 3.253 117 HB3 ASN 17 1HB ASN 17 -1.026 7.511 3.903 118 HD21 ASN 17 1HD2 ASN 17 -3.037 8.429 1.164 119 HD22 ASN 17 2HD2 ASN 17 -3.679 9.863 1.883 120 H VAL 18 H VAL 18 -1.056 4.690 2.067 121 HA VAL 18 HA VAL 18 1.515 4.293 3.176 122 HB VAL 18 HB VAL 18 1.110 1.908 2.881 123 HG11 VAL 18 1HG1 VAL 18 -0.923 1.725 4.226 124 HG12 VAL 18 2HG1 VAL 18 -1.334 3.394 3.829 125 HG13 VAL 18 3HG1 VAL 18 0.105 3.044 4.787 126 HG21 VAL 18 3HG2 VAL 18 -0.886 1.066 1.805 127 HG22 VAL 18 1HG2 VAL 18 0.054 2.026 0.662 128 HG23 VAL 18 2HG2 VAL 18 -1.390 2.708 1.408 129 H GLN 19 H GLN 19 0.250 4.222 -0.087 130 HA GLN 19 HA GLN 19 2.286 2.897 -1.414 131 HB2 GLN 19 2HB GLN 19 -0.015 4.038 -2.186 132 HB3 GLN 19 1HB GLN 19 1.112 5.261 -2.759 133 HG2 GLN 19 2HG GLN 19 1.104 2.345 -3.483 134 HG3 GLN 19 1HG GLN 19 0.626 3.690 -4.518 135 HE21 GLN 19 1HE2 GLN 19 2.215 5.054 -5.360 136 HE22 GLN 19 2HE2 GLN 19 3.881 4.599 -5.406 137 H LYS 20 H LYS 20 2.008 6.406 -0.789 138 HA LYS 20 HA LYS 20 4.479 7.031 -1.992 139 HB2 LYS 20 2HB LYS 20 4.249 9.225 -0.822 140 HB3 LYS 20 1HB LYS 20 2.890 8.772 -1.837 141 HG2 LYS 20 2HG LYS 20 1.931 9.650 0.095 142 HG3 LYS 20 1HG LYS 20 1.809 7.899 0.299 143 HD2 LYS 20 2HD LYS 20 2.684 8.404 2.327 144 HD3 LYS 20 1HD LYS 20 4.183 8.272 1.400 145 HE2 LYS 20 2HE LYS 20 4.200 10.690 1.067 146 HE3 LYS 20 1HE LYS 20 2.695 10.834 1.975 147 HZ1 LYS 20 3HZ LYS 20 4.602 11.366 3.350 148 HZ2 LYS 20 1HZ LYS 20 5.282 9.845 3.052 149 HZ3 LYS 20 2HZ LYS 20 3.839 9.971 3.925 150 H LYS 21 H LYS 21 3.684 5.848 1.148 151 HA LYS 21 HA LYS 21 6.095 6.640 2.426 152 HB2 LYS 21 2HB LYS 21 3.973 4.598 3.023 153 HB3 LYS 21 1HB LYS 21 5.424 4.717 4.004 154 HG2 LYS 21 2HG LYS 21 4.854 6.784 4.848 155 HG3 LYS 21 1HG LYS 21 3.789 7.154 3.489 156 HD2 LYS 21 2HD LYS 21 2.161 5.562 4.278 157 HD3 LYS 21 1HD LYS 21 3.242 5.047 5.575 158 HE2 LYS 21 2HE LYS 21 3.140 7.297 6.541 159 HE3 LYS 21 1HE LYS 21 2.052 7.801 5.247 160 HZ1 LYS 21 3HZ LYS 21 1.487 5.692 7.261 161 HZ2 LYS 21 1HZ LYS 21 0.442 6.171 6.018 162 HZ3 LYS 21 2HZ LYS 21 0.836 7.254 7.256 163 H LEU 22 H LEU 22 5.134 3.942 0.444 164 HA LEU 22 HA LEU 22 7.514 2.404 1.003 165 HB2 LEU 22 2HB LEU 22 5.373 1.969 -1.077 166 HB3 LEU 22 1HB LEU 22 6.612 0.816 -0.617 167 HG LEU 22 HG LEU 22 4.446 1.836 1.212 168 HD11 LEU 22 1HD1 LEU 22 3.526 0.462 -0.579 169 HD12 LEU 22 2HD1 LEU 22 3.458 -0.383 0.968 170 HD13 LEU 22 3HD1 LEU 22 4.695 -0.808 -0.214 171 HD21 LEU 22 3HD2 LEU 22 6.493 -0.353 1.559 172 HD22 LEU 22 1HD2 LEU 22 5.183 0.014 2.684 173 HD23 LEU 22 2HD2 LEU 22 6.463 1.194 2.407 174 H THR 23 H THR 23 6.575 4.900 -1.107 175 HA THR 23 HA THR 23 8.182 4.288 -3.348 176 HB THR 23 HB THR 23 6.366 6.222 -2.930 177 HG1 THR 23 1HG THR 23 7.258 7.174 -4.879 178 HG21 THR 23 3HG2 THR 23 7.377 8.406 -2.801 179 HG22 THR 23 1HG2 THR 23 8.994 7.702 -2.761 180 HG23 THR 23 2HG2 THR 23 7.898 7.469 -1.401 181 H ARG 24 H ARG 24 8.819 5.759 -0.250 182 HA ARG 24 HA ARG 24 11.388 6.795 -0.817 183 HB2 ARG 24 2HB ARG 24 10.334 5.779 1.833 184 HB3 ARG 24 1HB ARG 24 11.695 6.867 1.601 185 HG2 ARG 24 2HG ARG 24 10.185 8.567 0.703 186 HG3 ARG 24 1HG ARG 24 8.819 7.475 0.943 187 HD2 ARG 24 2HD ARG 24 9.328 7.426 3.359 188 HD3 ARG 24 1HD ARG 24 10.625 8.588 3.088 189 HE ARG 24 HE ARG 24 8.172 9.576 2.075 190 HH11 ARG 24 1HH1 ARG 24 9.888 9.015 5.057 191 HH12 ARG 24 2HH1 ARG 24 9.064 10.273 5.917 192 HH21 ARG 24 1HH2 ARG 24 7.084 11.234 3.200 193 HH22 ARG 24 2HH2 ARG 24 7.472 11.537 4.861 194 H ALA 25 H ALA 25 10.175 3.668 0.209 195 HA ALA 25 HA ALA 25 12.604 2.424 0.855 196 HB1 ALA 25 1HB ALA 25 11.429 0.326 0.554 197 HB2 ALA 25 2HB ALA 25 10.149 1.141 -0.344 198 HB3 ALA 25 3HB ALA 25 10.380 1.486 1.371 199 H GLN 26 H GLN 26 10.917 2.810 -2.218 200 HA GLN 26 HA GLN 26 12.558 1.175 -3.792 201 HB2 GLN 26 2HB GLN 26 10.880 3.588 -4.457 202 HB3 GLN 26 1HB GLN 26 11.753 2.682 -5.687 203 HG2 GLN 26 2HG GLN 26 10.527 0.640 -4.924 204 HG3 GLN 26 1HG GLN 26 9.549 1.689 -3.900 205 HE21 GLN 26 1HE2 GLN 26 9.593 3.867 -5.870 206 HE22 GLN 26 2HE2 GLN 26 8.496 3.395 -7.116 207 H GLU 27 H GLU 27 12.767 4.646 -3.070 208 HA GLU 27 HA GLU 27 15.076 5.081 -4.647 209 HB2 GLU 27 2HB GLU 27 14.184 6.677 -2.247 210 HB3 GLU 27 1HB GLU 27 15.250 7.210 -3.542 211 HG2 GLU 27 2HG GLU 27 13.435 7.104 -5.131 212 HG3 GLU 27 1HG GLU 27 12.356 6.463 -3.893 213 H LYS 28 H LYS 28 14.562 3.939 -1.402 214 HA LYS 28 HA LYS 28 17.215 4.351 -0.458 215 HB2 LYS 28 2HB LYS 28 15.077 3.976 0.909 216 HB3 LYS 28 1HB LYS 28 15.359 2.263 0.616 217 HG2 LYS 28 2HG LYS 28 17.735 2.748 1.513 218 HG3 LYS 28 1HG LYS 28 16.996 4.203 2.186 219 HD2 LYS 28 2HD LYS 28 15.962 1.417 2.639 220 HD3 LYS 28 1HD LYS 28 17.052 2.257 3.742 221 HE2 LYS 28 2HE LYS 28 15.388 4.027 4.034 222 HE3 LYS 28 1HE LYS 28 14.302 3.192 2.924 223 HZ1 LYS 28 3HZ LYS 28 13.719 2.749 5.221 224 HZ2 LYS 28 1HZ LYS 28 15.265 2.136 5.528 225 HZ3 LYS 28 2HZ LYS 28 14.230 1.326 4.463 226 H VAL 29 H VAL 29 15.545 1.540 -1.859 227 HA VAL 29 HA VAL 29 17.607 -0.307 -1.450 228 HB VAL 29 HB VAL 29 16.630 -1.614 -3.316 229 HG11 VAL 29 1HG1 VAL 29 14.448 -1.988 -2.244 230 HG12 VAL 29 2HG1 VAL 29 14.658 -0.497 -1.325 231 HG13 VAL 29 3HG1 VAL 29 15.754 -1.855 -1.067 232 HG21 VAL 29 3HG2 VAL 29 15.960 0.387 -4.666 233 HG22 VAL 29 1HG2 VAL 29 14.614 0.606 -3.550 234 HG23 VAL 29 2HG2 VAL 29 14.722 -0.862 -4.521 235 H LEU 30 H LEU 30 17.164 2.144 -3.909 236 HA LEU 30 HA LEU 30 19.017 1.251 -5.800 237 HB2 LEU 30 2HB LEU 30 18.478 4.123 -5.030 238 HB3 LEU 30 1HB LEU 30 19.161 3.563 -6.543 239 HG LEU 30 HG LEU 30 16.393 2.809 -5.654 240 HD11 LEU 30 1HD1 LEU 30 17.228 5.140 -7.373 241 HD12 LEU 30 2HD1 LEU 30 16.504 5.237 -5.767 242 HD13 LEU 30 3HD1 LEU 30 15.570 4.593 -7.119 243 HD21 LEU 30 3HD2 LEU 30 17.409 1.405 -7.377 244 HD22 LEU 30 1HD2 LEU 30 17.724 2.837 -8.357 245 HD23 LEU 30 2HD2 LEU 30 16.063 2.346 -8.021 246 H GLN 31 H GLN 31 19.422 2.927 -2.758 247 HA GLN 31 HA GLN 31 22.113 3.699 -3.050 248 HB2 GLN 31 2HB GLN 31 20.521 3.056 -0.559 249 HB3 GLN 31 1HB GLN 31 22.107 3.816 -0.559 250 HG2 GLN 31 2HG GLN 31 21.220 5.718 -1.777 251 HG3 GLN 31 1HG GLN 31 19.633 4.951 -1.843 252 HE21 GLN 31 1HE2 GLN 31 19.872 3.885 0.867 253 HE22 GLN 31 2HE2 GLN 31 19.629 5.225 1.930 254 H LYS 32 H LYS 32 20.607 0.672 -2.277 255 HA LYS 32 HA LYS 32 22.915 -0.585 -1.157 256 HB2 LYS 32 2HB LYS 32 20.462 -1.840 -2.406 257 HB3 LYS 32 1HB LYS 32 21.638 -2.662 -1.390 258 HG2 LYS 32 2HG LYS 32 21.014 -1.282 0.500 259 HG3 LYS 32 1HG LYS 32 19.890 -0.374 -0.510 260 HD2 LYS 32 2HD LYS 32 18.655 -1.993 0.775 261 HD3 LYS 32 1HD LYS 32 18.636 -2.474 -0.923 262 HE2 LYS 32 2HE LYS 32 20.354 -4.118 -0.523 263 HE3 LYS 32 1HE LYS 32 20.542 -3.570 1.143 264 HZ1 LYS 32 3HZ LYS 32 18.309 -4.313 1.621 265 HZ2 LYS 32 1HZ LYS 32 19.209 -5.593 0.979 266 HZ3 LYS 32 2HZ LYS 32 18.078 -4.786 0.014 267 H LEU 33 H LEU 33 21.385 -0.591 -4.352 268 HA LEU 33 HA LEU 33 23.428 -2.267 -5.502 269 HB2 LEU 33 2HB LEU 33 21.518 -0.626 -7.118 270 HB3 LEU 33 1HB LEU 33 22.177 -2.213 -7.466 271 HG LEU 33 HG LEU 33 20.087 -1.598 -5.381 272 HD11 LEU 33 1HD1 LEU 33 19.199 -1.348 -7.610 273 HD12 LEU 33 2HD1 LEU 33 18.582 -2.833 -6.887 274 HD13 LEU 33 3HD1 LEU 33 19.873 -2.907 -8.085 275 HD21 LEU 33 3HD2 LEU 33 19.869 -4.044 -5.219 276 HD22 LEU 33 1HD2 LEU 33 21.468 -3.486 -4.725 277 HD23 LEU 33 2HD2 LEU 33 21.243 -4.226 -6.311 278 H TYR 34 H TYR 34 22.281 0.959 -6.438 279 HA TYR 34 HA TYR 34 24.648 1.658 -7.806 280 HB2 TYR 34 2HB TYR 34 22.475 3.454 -6.704 281 HB3 TYR 34 1HB TYR 34 23.674 3.912 -7.910 282 HD1 TYR 34 2HD TYR 34 23.586 2.925 -10.175 283 HD2 TYR 34 1HD TYR 34 20.521 2.192 -7.306 284 HE1 TYR 34 2HE TYR 34 22.099 2.147 -11.971 285 HE2 TYR 34 1HE TYR 34 19.031 1.411 -9.099 286 HH TYR 34 HH TYR 34 20.122 0.697 -12.224 Start of MODEL 5 1 H1 MET 1 1HT MET 1 -23.433 5.860 -9.434 2 H2 MET 1 2HT MET 1 -21.971 6.041 -8.604 3 H3 MET 1 3HT MET 1 -23.233 7.134 -8.339 4 HA MET 1 HA MET 1 -23.114 5.642 -6.500 5 HB2 MET 1 2HB MET 1 -25.442 5.113 -8.354 6 HB3 MET 1 1HB MET 1 -25.401 4.600 -6.674 7 HG2 MET 1 2HG MET 1 -26.645 6.593 -6.729 8 HG3 MET 1 1HG MET 1 -25.073 7.014 -6.056 9 HE1 MET 1 2HE MET 1 -27.234 9.125 -7.247 10 HE2 MET 1 3HE MET 1 -26.129 10.225 -8.071 11 HE3 MET 1 1HE MET 1 -25.706 9.574 -6.487 12 H ALA 2 H ALA 2 -22.373 3.764 -5.752 13 HA ALA 2 HA ALA 2 -22.774 1.282 -7.126 14 HB1 ALA 2 1HB ALA 2 -20.429 0.747 -7.516 15 HB2 ALA 2 2HB ALA 2 -19.963 2.357 -6.966 16 HB3 ALA 2 3HB ALA 2 -20.914 2.169 -8.440 17 H GLU 3 H GLU 3 -20.467 2.745 -4.855 18 HA GLU 3 HA GLU 3 -20.496 0.458 -3.132 19 HB2 GLU 3 2HB GLU 3 -19.313 3.218 -2.875 20 HB3 GLU 3 1HB GLU 3 -19.200 2.025 -1.589 21 HG2 GLU 3 2HG GLU 3 -17.179 2.054 -2.916 22 HG3 GLU 3 1HG GLU 3 -18.014 0.512 -3.090 23 H MET 4 H MET 4 -20.729 1.126 -0.631 24 HA MET 4 HA MET 4 -22.738 2.894 0.059 25 HB2 MET 4 2HB MET 4 -24.416 1.130 0.788 26 HB3 MET 4 1HB MET 4 -24.354 1.516 -0.924 27 HG2 MET 4 2HG MET 4 -22.971 -0.473 -1.306 28 HG3 MET 4 1HG MET 4 -23.079 -0.862 0.410 29 HE1 MET 4 3HE MET 4 -25.924 0.581 -1.955 30 HE2 MET 4 1HE MET 4 -26.637 -0.927 -2.528 31 HE3 MET 4 2HE MET 4 -24.980 -0.511 -2.968 32 H GLY 5 H GLY 5 -20.197 2.238 0.982 33 HA2 GLY 5 2HA GLY 5 -20.788 1.880 3.777 34 HA3 GLY 5 1HA GLY 5 -19.846 0.571 3.076 35 H SER 6 H SER 6 -19.322 2.824 5.054 36 HA SER 6 HA SER 6 -17.331 4.482 3.866 37 HB2 SER 6 2HB SER 6 -16.727 4.814 6.380 38 HB3 SER 6 1HB SER 6 -18.263 5.439 5.775 39 HG SER 6 HG SER 6 -18.703 4.315 7.632 40 H LYS 7 H LYS 7 -17.243 1.337 4.113 41 HA LYS 7 HA LYS 7 -14.712 0.903 5.416 42 HB2 LYS 7 2HB LYS 7 -16.292 -0.952 3.627 43 HB3 LYS 7 1HB LYS 7 -14.953 -1.410 4.667 44 HG2 LYS 7 2HG LYS 7 -17.508 -0.214 5.710 45 HG3 LYS 7 1HG LYS 7 -17.252 -1.949 5.526 46 HD2 LYS 7 2HD LYS 7 -16.592 -1.728 7.693 47 HD3 LYS 7 1HD LYS 7 -15.052 -1.377 6.908 48 HE2 LYS 7 2HE LYS 7 -15.558 0.244 8.672 49 HE3 LYS 7 1HE LYS 7 -15.481 1.010 7.087 50 HZ1 LYS 7 3HZ LYS 7 -17.363 1.818 8.353 51 HZ2 LYS 7 1HZ LYS 7 -17.963 0.245 8.527 52 HZ3 LYS 7 2HZ LYS 7 -17.901 0.962 6.997 53 H GLY 8 H GLY 8 -15.887 1.054 2.080 54 HA2 GLY 8 2HA GLY 8 -13.353 0.455 0.909 55 HA3 GLY 8 1HA GLY 8 -14.757 1.101 0.075 56 H VAL 9 H VAL 9 -15.004 3.449 1.773 57 HA VAL 9 HA VAL 9 -13.203 5.149 0.355 58 HB VAL 9 HB VAL 9 -14.235 6.987 1.569 59 HG11 VAL 9 1HG1 VAL 9 -15.413 6.074 -0.355 60 HG12 VAL 9 2HG1 VAL 9 -16.553 6.652 0.860 61 HG13 VAL 9 3HG1 VAL 9 -16.248 4.923 0.688 62 HG21 VAL 9 3HG2 VAL 9 -15.579 4.832 3.193 63 HG22 VAL 9 1HG2 VAL 9 -16.000 6.544 3.241 64 HG23 VAL 9 2HG2 VAL 9 -14.404 6.011 3.772 65 H THR 10 H THR 10 -13.302 3.823 3.597 66 HA THR 10 HA THR 10 -11.251 5.528 4.640 67 HB THR 10 HB THR 10 -12.406 2.937 5.686 68 HG1 THR 10 1HG THR 10 -12.764 5.341 7.022 69 HG21 THR 10 3HG2 THR 10 -11.319 3.544 7.826 70 HG22 THR 10 1HG2 THR 10 -10.489 4.866 7.006 71 HG23 THR 10 2HG2 THR 10 -10.151 3.195 6.553 72 H ALA 11 H ALA 11 -11.287 2.016 4.014 73 HA ALA 11 HA ALA 11 -8.528 1.636 4.284 74 HB1 ALA 11 1HB ALA 11 -8.879 -0.514 3.207 75 HB2 ALA 11 2HB ALA 11 -10.459 0.012 2.630 76 HB3 ALA 11 3HB ALA 11 -10.173 -0.186 4.358 77 H GLY 12 H GLY 12 -10.402 2.851 1.628 78 HA2 GLY 12 2HA GLY 12 -8.510 2.352 -0.435 79 HA3 GLY 12 1HA GLY 12 -9.802 3.548 -0.487 80 H LYS 13 H LYS 13 -8.839 4.796 2.006 81 HA LYS 13 HA LYS 13 -7.126 6.738 0.874 82 HB2 LYS 13 2HB LYS 13 -8.684 7.344 2.609 83 HB3 LYS 13 1HB LYS 13 -7.976 6.179 3.717 84 HG2 LYS 13 2HG LYS 13 -6.150 8.229 2.662 85 HG3 LYS 13 1HG LYS 13 -7.422 8.792 3.743 86 HD2 LYS 13 2HD LYS 13 -5.759 6.417 4.490 87 HD3 LYS 13 1HD LYS 13 -5.131 8.048 4.728 88 HE2 LYS 13 2HE LYS 13 -6.197 7.223 6.754 89 HE3 LYS 13 1HE LYS 13 -7.077 8.601 6.099 90 HZ1 LYS 13 3HZ LYS 13 -8.559 6.821 6.824 91 HZ2 LYS 13 1HZ LYS 13 -7.837 5.753 5.727 92 HZ3 LYS 13 2HZ LYS 13 -8.698 7.095 5.161 93 H ILE 14 H ILE 14 -6.618 4.064 3.133 94 HA ILE 14 HA ILE 14 -3.887 4.619 3.642 95 HB ILE 14 HB ILE 14 -5.450 2.054 3.950 96 HG12 ILE 14 2HG1 ILE 14 -5.022 2.806 6.443 97 HG13 ILE 14 1HG1 ILE 14 -4.850 4.398 5.709 98 HG21 ILE 14 1HG2 ILE 14 -2.678 2.745 4.912 99 HG22 ILE 14 2HG2 ILE 14 -3.111 1.505 3.735 100 HG23 ILE 14 3HG2 ILE 14 -3.600 1.330 5.420 101 HD11 ILE 14 3HD1 ILE 14 -7.256 2.611 5.458 102 HD12 ILE 14 1HD1 ILE 14 -7.080 4.227 4.779 103 HD13 ILE 14 2HD1 ILE 14 -7.109 4.006 6.527 104 H ALA 15 H ALA 15 -5.546 2.600 1.266 105 HA ALA 15 HA ALA 15 -3.375 1.175 0.273 106 HB1 ALA 15 1HB ALA 15 -5.747 2.205 -1.278 107 HB2 ALA 15 2HB ALA 15 -5.697 0.708 -0.346 108 HB3 ALA 15 3HB ALA 15 -4.672 0.895 -1.769 109 H SER 16 H SER 16 -4.693 4.253 -0.906 110 HA SER 16 HA SER 16 -2.706 4.710 -2.845 111 HB2 SER 16 2HB SER 16 -4.460 6.700 -1.387 112 HB3 SER 16 1HB SER 16 -3.529 7.041 -2.845 113 HG SER 16 HG SER 16 -5.101 4.829 -3.098 114 H ASN 17 H ASN 17 -2.892 5.482 0.566 115 HA ASN 17 HA ASN 17 -0.713 7.307 0.601 116 HB2 ASN 17 2HB ASN 17 -2.276 5.861 2.698 117 HB3 ASN 17 1HB ASN 17 -0.841 6.772 3.138 118 HD21 ASN 17 1HD2 ASN 17 -2.985 7.674 0.531 119 HD22 ASN 17 2HD2 ASN 17 -3.616 9.094 1.284 120 H VAL 18 H VAL 18 -0.946 3.820 1.252 121 HA VAL 18 HA VAL 18 1.667 3.564 2.297 122 HB VAL 18 HB VAL 18 1.448 1.151 1.806 123 HG11 VAL 18 1HG1 VAL 18 0.591 1.967 3.889 124 HG12 VAL 18 2HG1 VAL 18 -0.528 0.759 3.258 125 HG13 VAL 18 3HG1 VAL 18 -0.913 2.475 3.122 126 HG21 VAL 18 3HG2 VAL 18 -0.543 0.244 0.823 127 HG22 VAL 18 1HG2 VAL 18 0.165 1.407 -0.299 128 HG23 VAL 18 2HG2 VAL 18 -1.243 1.854 0.662 129 H GLN 19 H GLN 19 0.402 3.443 -0.998 130 HA GLN 19 HA GLN 19 2.634 2.424 -2.321 131 HB2 GLN 19 2HB GLN 19 0.723 4.580 -3.248 132 HB3 GLN 19 1HB GLN 19 1.809 3.671 -4.285 133 HG2 GLN 19 2HG GLN 19 -0.455 2.519 -2.676 134 HG3 GLN 19 1HG GLN 19 -0.469 2.823 -4.411 135 HE21 GLN 19 1HE2 GLN 19 0.748 1.504 -5.774 136 HE22 GLN 19 2HE2 GLN 19 1.349 -0.033 -5.263 137 H LYS 20 H LYS 20 1.962 5.628 -1.062 138 HA LYS 20 HA LYS 20 4.122 6.981 -2.272 139 HB2 LYS 20 2HB LYS 20 3.208 7.747 0.471 140 HB3 LYS 20 1HB LYS 20 3.604 8.775 -0.898 141 HG2 LYS 20 2HG LYS 20 1.104 7.127 -0.577 142 HG3 LYS 20 1HG LYS 20 1.237 8.875 -0.389 143 HD2 LYS 20 2HD LYS 20 1.863 7.396 -2.940 144 HD3 LYS 20 1HD LYS 20 0.301 8.134 -2.580 145 HE2 LYS 20 2HE LYS 20 2.954 9.561 -2.768 146 HE3 LYS 20 1HE LYS 20 1.657 9.611 -3.961 147 HZ1 LYS 20 3HZ LYS 20 1.493 10.622 -1.172 148 HZ2 LYS 20 1HZ LYS 20 0.231 10.652 -2.301 149 HZ3 LYS 20 2HZ LYS 20 1.625 11.571 -2.566 150 H LYS 21 H LYS 21 3.742 5.143 0.690 151 HA LYS 21 HA LYS 21 6.361 5.643 1.705 152 HB2 LYS 21 2HB LYS 21 5.543 4.583 3.516 153 HB3 LYS 21 1HB LYS 21 4.015 4.533 2.663 154 HG2 LYS 21 2HG LYS 21 5.053 2.317 1.662 155 HG3 LYS 21 1HG LYS 21 5.980 2.372 3.163 156 HD2 LYS 21 2HD LYS 21 2.984 2.578 3.001 157 HD3 LYS 21 1HD LYS 21 3.854 1.076 3.316 158 HE2 LYS 21 2HE LYS 21 3.942 3.573 5.009 159 HE3 LYS 21 1HE LYS 21 3.058 2.097 5.391 160 HZ1 LYS 21 3HZ LYS 21 6.007 2.323 5.110 161 HZ2 LYS 21 1HZ LYS 21 5.159 0.906 5.478 162 HZ3 LYS 21 2HZ LYS 21 5.162 2.197 6.570 163 H LEU 22 H LEU 22 4.905 3.374 -0.456 164 HA LEU 22 HA LEU 22 6.949 1.419 -0.486 165 HB2 LEU 22 2HB LEU 22 4.980 0.562 -1.254 166 HB3 LEU 22 1HB LEU 22 4.511 2.050 -2.045 167 HG LEU 22 HG LEU 22 6.094 1.546 -3.870 168 HD11 LEU 22 1HD1 LEU 22 7.086 -0.651 -4.062 169 HD12 LEU 22 2HD1 LEU 22 6.380 -1.137 -2.522 170 HD13 LEU 22 3HD1 LEU 22 7.628 0.108 -2.566 171 HD21 LEU 22 3HD2 LEU 22 4.759 -0.250 -4.872 172 HD22 LEU 22 1HD2 LEU 22 3.752 0.969 -4.090 173 HD23 LEU 22 2HD2 LEU 22 4.039 -0.579 -3.296 174 H THR 23 H THR 23 6.351 4.350 -2.362 175 HA THR 23 HA THR 23 8.313 3.865 -4.348 176 HB THR 23 HB THR 23 6.396 5.689 -4.237 177 HG1 THR 23 1HG THR 23 8.400 5.225 -5.798 178 HG21 THR 23 3HG2 THR 23 8.793 7.314 -3.391 179 HG22 THR 23 1HG2 THR 23 7.486 6.862 -2.299 180 HG23 THR 23 2HG2 THR 23 7.154 7.890 -3.691 181 H ARG 24 H ARG 24 8.423 5.193 -1.124 182 HA ARG 24 HA ARG 24 10.966 6.391 -1.243 183 HB2 ARG 24 2HB ARG 24 9.554 5.120 1.112 184 HB3 ARG 24 1HB ARG 24 10.956 6.175 1.223 185 HG2 ARG 24 2HG ARG 24 9.659 8.006 0.262 186 HG3 ARG 24 1HG ARG 24 8.253 6.947 0.142 187 HD2 ARG 24 2HD ARG 24 8.270 6.662 2.576 188 HD3 ARG 24 1HD ARG 24 9.668 7.731 2.688 189 HE ARG 24 HE ARG 24 7.872 9.278 1.427 190 HH11 ARG 24 1HH1 ARG 24 7.651 7.315 4.298 191 HH12 ARG 24 2HH1 ARG 24 6.475 8.333 5.059 192 HH21 ARG 24 1HH2 ARG 24 6.323 10.624 2.422 193 HH22 ARG 24 2HH2 ARG 24 5.719 10.214 3.993 194 H ALA 25 H ALA 25 9.895 3.096 -0.789 195 HA ALA 25 HA ALA 25 12.270 1.946 0.152 196 HB1 ALA 25 1HB ALA 25 11.391 -0.166 -0.675 197 HB2 ALA 25 2HB ALA 25 10.209 0.692 -1.662 198 HB3 ALA 25 3HB ALA 25 10.111 0.769 0.098 199 H GLN 26 H GLN 26 11.154 2.662 -3.116 200 HA GLN 26 HA GLN 26 13.213 1.408 -4.543 201 HB2 GLN 26 2HB GLN 26 11.170 3.462 -5.105 202 HB3 GLN 26 1HB GLN 26 12.601 3.547 -6.123 203 HG2 GLN 26 2HG GLN 26 11.389 2.130 -7.387 204 HG3 GLN 26 1HG GLN 26 12.133 0.939 -6.325 205 HE21 GLN 26 1HE2 GLN 26 10.480 1.750 -4.042 206 HE22 GLN 26 2HE2 GLN 26 8.912 1.094 -4.339 207 H GLU 27 H GLU 27 12.931 4.731 -3.325 208 HA GLU 27 HA GLU 27 15.447 5.572 -4.318 209 HB2 GLU 27 2HB GLU 27 13.896 6.711 -1.990 210 HB3 GLU 27 1HB GLU 27 15.184 7.511 -2.883 211 HG2 GLU 27 2HG GLU 27 12.519 6.687 -4.013 212 HG3 GLU 27 1HG GLU 27 12.981 8.322 -3.539 213 H LYS 28 H LYS 28 14.445 3.915 -1.423 214 HA LYS 28 HA LYS 28 16.797 4.410 0.090 215 HB2 LYS 28 2HB LYS 28 14.632 3.769 1.092 216 HB3 LYS 28 1HB LYS 28 14.816 2.162 0.398 217 HG2 LYS 28 2HG LYS 28 16.931 1.918 1.679 218 HG3 LYS 28 1HG LYS 28 16.575 3.459 2.463 219 HD2 LYS 28 2HD LYS 28 14.472 2.537 3.308 220 HD3 LYS 28 1HD LYS 28 14.842 0.994 2.538 221 HE2 LYS 28 2HE LYS 28 16.901 0.859 3.918 222 HE3 LYS 28 1HE LYS 28 16.398 2.331 4.748 223 HZ1 LYS 28 3HZ LYS 28 14.925 -0.248 4.712 224 HZ2 LYS 28 1HZ LYS 28 14.381 1.170 5.460 225 HZ3 LYS 28 2HZ LYS 28 15.778 0.398 6.023 226 H VAL 29 H VAL 29 15.770 1.692 -1.970 227 HA VAL 29 HA VAL 29 17.912 -0.007 -1.367 228 HB VAL 29 HB VAL 29 17.501 -1.117 -3.521 229 HG11 VAL 29 1HG1 VAL 29 14.978 -0.385 -2.032 230 HG12 VAL 29 2HG1 VAL 29 16.111 -1.665 -1.589 231 HG13 VAL 29 3HG1 VAL 29 15.186 -1.785 -3.086 232 HG21 VAL 29 3HG2 VAL 29 15.398 0.965 -4.033 233 HG22 VAL 29 1HG2 VAL 29 15.917 -0.339 -5.099 234 HG23 VAL 29 2HG2 VAL 29 17.003 1.010 -4.762 235 H LEU 30 H LEU 30 17.676 2.739 -3.513 236 HA LEU 30 HA LEU 30 19.939 2.333 -5.081 237 HB2 LEU 30 2HB LEU 30 18.936 4.978 -4.020 238 HB3 LEU 30 1HB LEU 30 19.967 4.747 -5.417 239 HG LEU 30 HG LEU 30 17.164 3.659 -5.251 240 HD11 LEU 30 1HD1 LEU 30 17.049 6.071 -5.058 241 HD12 LEU 30 2HD1 LEU 30 16.523 5.569 -6.667 242 HD13 LEU 30 3HD1 LEU 30 18.132 6.255 -6.439 243 HD21 LEU 30 3HD2 LEU 30 17.376 3.493 -7.673 244 HD22 LEU 30 1HD2 LEU 30 18.641 2.566 -6.865 245 HD23 LEU 30 2HD2 LEU 30 19.017 4.133 -7.582 246 H GLN 31 H GLN 31 19.591 3.389 -1.779 247 HA GLN 31 HA GLN 31 22.121 4.499 -1.345 248 HB2 GLN 31 2HB GLN 31 20.185 3.074 0.481 249 HB3 GLN 31 1HB GLN 31 21.713 3.720 1.070 250 HG2 GLN 31 2HG GLN 31 21.033 5.955 0.283 251 HG3 GLN 31 1HG GLN 31 19.482 5.281 -0.212 252 HE21 GLN 31 1HE2 GLN 31 17.999 4.649 1.357 253 HE22 GLN 31 2HE2 GLN 31 18.127 5.161 3.002 254 H LYS 32 H LYS 32 21.007 1.182 -1.425 255 HA LYS 32 HA LYS 32 23.477 0.064 -0.477 256 HB2 LYS 32 2HB LYS 32 21.067 -1.186 -1.806 257 HB3 LYS 32 1HB LYS 32 22.451 -2.105 -1.230 258 HG2 LYS 32 2HG LYS 32 20.904 -2.305 0.483 259 HG3 LYS 32 1HG LYS 32 21.973 -1.018 1.044 260 HD2 LYS 32 2HD LYS 32 20.380 0.662 0.348 261 HD3 LYS 32 1HD LYS 32 19.337 -0.575 -0.358 262 HE2 LYS 32 2HE LYS 32 20.033 -0.273 2.562 263 HE3 LYS 32 1HE LYS 32 18.491 0.136 1.810 264 HZ1 LYS 32 3HZ LYS 32 19.680 -2.581 1.974 265 HZ2 LYS 32 1HZ LYS 32 18.212 -2.199 1.222 266 HZ3 LYS 32 2HZ LYS 32 18.380 -2.009 2.894 267 H LEU 33 H LEU 33 21.906 0.532 -3.600 268 HA LEU 33 HA LEU 33 24.019 -0.751 -5.081 269 HB2 LEU 33 2HB LEU 33 21.603 0.857 -5.894 270 HB3 LEU 33 1HB LEU 33 22.774 0.276 -7.057 271 HG LEU 33 HG LEU 33 20.829 -1.162 -6.994 272 HD11 LEU 33 1HD1 LEU 33 23.248 -2.495 -5.789 273 HD12 LEU 33 2HD1 LEU 33 22.984 -2.174 -7.504 274 HD13 LEU 33 3HD1 LEU 33 21.938 -3.306 -6.647 275 HD21 LEU 33 3HD2 LEU 33 20.303 -2.502 -5.007 276 HD22 LEU 33 1HD2 LEU 33 20.092 -0.775 -4.721 277 HD23 LEU 33 2HD2 LEU 33 21.516 -1.605 -4.094 278 H TYR 34 H TYR 34 22.697 2.432 -5.786 279 HA TYR 34 HA TYR 34 25.142 3.465 -6.731 280 HB2 TYR 34 2HB TYR 34 22.630 4.913 -5.866 281 HB3 TYR 34 1HB TYR 34 23.951 5.636 -6.777 282 HD1 TYR 34 1HD TYR 34 21.249 3.100 -6.923 283 HD2 TYR 34 2HD TYR 34 24.124 5.345 -9.124 284 HE1 TYR 34 1HE TYR 34 20.198 2.382 -9.024 285 HE2 TYR 34 2HE TYR 34 23.075 4.631 -11.229 286 HH TYR 34 HH TYR 34 21.664 2.786 -12.052 Start of MODEL 6 1 H1 MET 1 1HT MET 1 -11.635 -7.910 -3.378 2 H2 MET 1 2HT MET 1 -12.254 -8.849 -2.115 3 H3 MET 1 3HT MET 1 -10.593 -8.548 -2.209 4 HA MET 1 HA MET 1 -11.625 -7.194 -0.505 5 HB2 MET 1 2HB MET 1 -10.741 -5.588 -2.912 6 HB3 MET 1 1HB MET 1 -10.747 -5.031 -1.245 7 HG2 MET 1 2HG MET 1 -9.187 -7.465 -1.964 8 HG3 MET 1 1HG MET 1 -8.550 -5.873 -2.369 9 HE1 MET 1 2HE MET 1 -9.219 -8.511 0.290 10 HE2 MET 1 3HE MET 1 -10.490 -7.406 0.814 11 HE3 MET 1 1HE MET 1 -9.071 -7.661 1.828 12 H ALA 2 H ALA 2 -13.862 -7.383 -0.282 13 HA ALA 2 HA ALA 2 -15.652 -6.119 -2.138 14 HB1 ALA 2 1HB ALA 2 -17.412 -6.823 -0.618 15 HB2 ALA 2 2HB ALA 2 -16.213 -7.254 0.601 16 HB3 ALA 2 3HB ALA 2 -16.291 -8.152 -0.916 17 H GLU 3 H GLU 3 -17.518 -5.027 -0.336 18 HA GLU 3 HA GLU 3 -16.395 -2.408 -0.008 19 HB2 GLU 3 2HB GLU 3 -18.717 -2.738 -0.757 20 HB3 GLU 3 1HB GLU 3 -19.109 -3.474 0.790 21 HG2 GLU 3 2HG GLU 3 -18.620 -1.372 1.923 22 HG3 GLU 3 1HG GLU 3 -18.206 -0.633 0.377 23 H MET 4 H MET 4 -17.090 -5.124 2.033 24 HA MET 4 HA MET 4 -16.879 -5.521 4.261 25 HB2 MET 4 2HB MET 4 -14.578 -3.623 3.800 26 HB3 MET 4 1HB MET 4 -14.804 -4.536 5.288 27 HG2 MET 4 2HG MET 4 -14.782 -6.620 3.883 28 HG3 MET 4 1HG MET 4 -14.276 -5.608 2.532 29 HE1 MET 4 3HE MET 4 -12.120 -7.255 2.281 30 HE2 MET 4 1HE MET 4 -12.707 -8.172 3.670 31 HE3 MET 4 2HE MET 4 -11.037 -7.609 3.627 32 H GLY 5 H GLY 5 -18.589 -3.235 3.441 33 HA2 GLY 5 2HA GLY 5 -20.063 -1.981 4.716 34 HA3 GLY 5 1HA GLY 5 -19.022 -2.191 6.110 35 H SER 6 H SER 6 -16.737 -1.066 5.590 36 HA SER 6 HA SER 6 -16.963 1.404 4.143 37 HB2 SER 6 2HB SER 6 -18.140 1.758 6.425 38 HB3 SER 6 1HB SER 6 -16.511 1.694 7.103 39 HG SER 6 HG SER 6 -15.965 3.500 5.986 40 H LYS 7 H LYS 7 -15.306 -1.119 5.301 41 HA LYS 7 HA LYS 7 -12.762 0.131 5.778 42 HB2 LYS 7 2HB LYS 7 -12.811 -1.812 6.973 43 HB3 LYS 7 1HB LYS 7 -13.903 -2.599 5.846 44 HG2 LYS 7 2HG LYS 7 -11.874 -3.791 5.775 45 HG3 LYS 7 1HG LYS 7 -11.963 -2.844 4.290 46 HD2 LYS 7 2HD LYS 7 -10.521 -1.126 5.374 47 HD3 LYS 7 1HD LYS 7 -10.355 -2.202 6.763 48 HE2 LYS 7 2HE LYS 7 -9.318 -3.891 5.364 49 HE3 LYS 7 1HE LYS 7 -9.556 -2.885 3.935 50 HZ1 LYS 7 3HZ LYS 7 -8.081 -1.231 4.907 51 HZ2 LYS 7 1HZ LYS 7 -7.296 -2.722 4.754 52 HZ3 LYS 7 2HZ LYS 7 -7.846 -2.207 6.268 53 H GLY 8 H GLY 8 -14.586 -1.128 3.130 54 HA2 GLY 8 2HA GLY 8 -12.384 -1.561 1.351 55 HA3 GLY 8 1HA GLY 8 -14.077 -1.421 0.896 56 H VAL 9 H VAL 9 -14.685 1.095 1.812 57 HA VAL 9 HA VAL 9 -13.502 2.723 -0.226 58 HB VAL 9 HB VAL 9 -14.975 4.517 0.694 59 HG11 VAL 9 1HG1 VAL 9 -16.276 1.865 0.095 60 HG12 VAL 9 2HG1 VAL 9 -15.766 3.075 -1.081 61 HG13 VAL 9 3HG1 VAL 9 -17.085 3.430 0.033 62 HG21 VAL 9 3HG2 VAL 9 -15.821 2.341 2.605 63 HG22 VAL 9 1HG2 VAL 9 -16.649 3.883 2.385 64 HG23 VAL 9 2HG2 VAL 9 -15.005 3.848 3.026 65 H THR 10 H THR 10 -13.378 2.630 3.306 66 HA THR 10 HA THR 10 -11.911 4.984 3.719 67 HB THR 10 HB THR 10 -12.075 2.449 5.345 68 HG1 THR 10 1HG THR 10 -13.922 4.010 5.018 69 HG21 THR 10 3HG2 THR 10 -10.807 5.091 6.087 70 HG22 THR 10 1HG2 THR 10 -9.979 3.544 5.906 71 HG23 THR 10 2HG2 THR 10 -11.139 3.776 7.214 72 H ALA 11 H ALA 11 -10.780 1.619 3.456 73 HA ALA 11 HA ALA 11 -8.050 2.124 3.731 74 HB1 ALA 11 1HB ALA 11 -9.067 -0.117 3.845 75 HB2 ALA 11 2HB ALA 11 -7.693 -0.056 2.741 76 HB3 ALA 11 3HB ALA 11 -9.338 -0.065 2.103 77 H GLY 12 H GLY 12 -10.177 2.884 1.187 78 HA2 GLY 12 2HA GLY 12 -8.327 2.814 -0.987 79 HA3 GLY 12 1HA GLY 12 -9.850 3.694 -0.950 80 H LYS 13 H LYS 13 -9.242 5.231 1.387 81 HA LYS 13 HA LYS 13 -7.909 7.421 0.206 82 HB2 LYS 13 2HB LYS 13 -9.552 7.975 1.770 83 HB3 LYS 13 1HB LYS 13 -8.985 6.789 2.933 84 HG2 LYS 13 2HG LYS 13 -6.985 8.794 2.382 85 HG3 LYS 13 1HG LYS 13 -8.498 9.491 2.958 86 HD2 LYS 13 2HD LYS 13 -8.176 7.336 4.612 87 HD3 LYS 13 1HD LYS 13 -6.515 7.886 4.377 88 HE2 LYS 13 2HE LYS 13 -7.133 10.123 5.078 89 HE3 LYS 13 1HE LYS 13 -8.819 9.629 5.227 90 HZ1 LYS 13 3HZ LYS 13 -8.195 8.113 6.990 91 HZ2 LYS 13 1HZ LYS 13 -7.697 9.684 7.374 92 HZ3 LYS 13 2HZ LYS 13 -6.568 8.545 6.834 93 H ILE 14 H ILE 14 -6.988 5.137 2.764 94 HA ILE 14 HA ILE 14 -4.433 6.245 3.264 95 HB ILE 14 HB ILE 14 -5.489 3.456 3.761 96 HG12 ILE 14 2HG1 ILE 14 -5.306 4.406 6.188 97 HG13 ILE 14 1HG1 ILE 14 -5.316 5.973 5.388 98 HG21 ILE 14 1HG2 ILE 14 -3.089 3.330 3.606 99 HG22 ILE 14 2HG2 ILE 14 -3.567 3.205 5.300 100 HG23 ILE 14 3HG2 ILE 14 -2.911 4.719 4.679 101 HD11 ILE 14 3HD1 ILE 14 -7.453 3.868 5.160 102 HD12 ILE 14 1HD1 ILE 14 -7.469 5.449 4.380 103 HD13 ILE 14 2HD1 ILE 14 -7.536 5.333 6.138 104 H ALA 15 H ALA 15 -5.610 3.874 0.954 105 HA ALA 15 HA ALA 15 -3.252 2.671 0.158 106 HB1 ALA 15 1HB ALA 15 -5.573 3.450 -1.602 107 HB2 ALA 15 2HB ALA 15 -5.457 1.977 -0.638 108 HB3 ALA 15 3HB ALA 15 -4.344 2.243 -1.980 109 H SER 16 H SER 16 -4.685 5.673 -1.076 110 HA SER 16 HA SER 16 -2.655 6.249 -2.929 111 HB2 SER 16 2HB SER 16 -4.835 7.378 -2.980 112 HB3 SER 16 1HB SER 16 -4.474 8.164 -1.443 113 HG SER 16 HG SER 16 -2.959 9.400 -2.416 114 H ASN 17 H ASN 17 -2.974 6.858 0.492 115 HA ASN 17 HA ASN 17 -0.825 8.699 0.732 116 HB2 ASN 17 2HB ASN 17 -2.469 7.098 2.646 117 HB3 ASN 17 1HB ASN 17 -1.051 7.956 3.225 118 HD21 ASN 17 1HD2 ASN 17 -3.868 8.364 3.838 119 HD22 ASN 17 2HD2 ASN 17 -4.221 10.000 3.413 120 H VAL 18 H VAL 18 -1.051 5.176 1.167 121 HA VAL 18 HA VAL 18 1.536 4.865 2.252 122 HB VAL 18 HB VAL 18 1.334 2.504 1.745 123 HG11 VAL 18 1HG1 VAL 18 -1.216 3.740 2.759 124 HG12 VAL 18 2HG1 VAL 18 0.198 3.291 3.711 125 HG13 VAL 18 3HG1 VAL 18 -0.781 2.042 2.943 126 HG21 VAL 18 3HG2 VAL 18 0.274 2.864 -0.513 127 HG22 VAL 18 1HG2 VAL 18 -1.252 3.092 0.340 128 HG23 VAL 18 2HG2 VAL 18 -0.401 1.552 0.454 129 H GLN 19 H GLN 19 0.360 5.139 -1.023 130 HA GLN 19 HA GLN 19 2.474 4.065 -2.458 131 HB2 GLN 19 2HB GLN 19 0.779 6.483 -3.096 132 HB3 GLN 19 1HB GLN 19 1.824 5.669 -4.246 133 HG2 GLN 19 2HG GLN 19 -0.497 4.383 -2.836 134 HG3 GLN 19 1HG GLN 19 -0.545 5.044 -4.469 135 HE21 GLN 19 1HE2 GLN 19 0.586 2.472 -2.444 136 HE22 GLN 19 2HE2 GLN 19 1.103 1.420 -3.713 137 H LYS 20 H LYS 20 2.134 7.248 -0.976 138 HA LYS 20 HA LYS 20 4.431 8.439 -2.058 139 HB2 LYS 20 2HB LYS 20 3.653 9.110 0.738 140 HB3 LYS 20 1HB LYS 20 4.071 10.176 -0.592 141 HG2 LYS 20 2HG LYS 20 1.460 8.722 -0.227 142 HG3 LYS 20 1HG LYS 20 1.748 10.441 0.025 143 HD2 LYS 20 2HD LYS 20 2.048 8.990 -2.602 144 HD3 LYS 20 1HD LYS 20 0.658 9.968 -2.129 145 HE2 LYS 20 2HE LYS 20 3.499 10.945 -2.432 146 HE3 LYS 20 1HE LYS 20 2.181 11.227 -3.568 147 HZ1 LYS 20 3HZ LYS 20 2.539 13.135 -2.133 148 HZ2 LYS 20 1HZ LYS 20 2.270 12.185 -0.757 149 HZ3 LYS 20 2HZ LYS 20 1.012 12.463 -1.855 150 H LYS 21 H LYS 21 3.929 6.390 0.748 151 HA LYS 21 HA LYS 21 6.566 6.672 1.785 152 HB2 LYS 21 2HB LYS 21 5.292 5.928 3.488 153 HB3 LYS 21 1HB LYS 21 4.141 5.146 2.419 154 HG2 LYS 21 2HG LYS 21 6.805 3.878 2.780 155 HG3 LYS 21 1HG LYS 21 5.635 3.777 4.097 156 HD2 LYS 21 2HD LYS 21 4.805 3.115 1.304 157 HD3 LYS 21 1HD LYS 21 5.680 1.922 2.269 158 HE2 LYS 21 2HE LYS 21 3.958 2.174 4.039 159 HE3 LYS 21 1HE LYS 21 3.065 3.254 2.968 160 HZ1 LYS 21 3HZ LYS 21 3.712 0.407 2.421 161 HZ2 LYS 21 1HZ LYS 21 2.880 1.441 1.371 162 HZ3 LYS 21 2HZ LYS 21 2.194 1.015 2.857 163 H LEU 22 H LEU 22 5.054 4.534 -0.533 164 HA LEU 22 HA LEU 22 7.066 2.547 -0.574 165 HB2 LEU 22 2HB LEU 22 5.081 3.364 -2.688 166 HB3 LEU 22 1HB LEU 22 6.093 1.935 -2.778 167 HG LEU 22 HG LEU 22 4.010 2.471 -0.668 168 HD11 LEU 22 1HD1 LEU 22 2.747 0.691 -1.753 169 HD12 LEU 22 2HD1 LEU 22 3.993 0.550 -2.993 170 HD13 LEU 22 3HD1 LEU 22 3.037 2.027 -2.867 171 HD21 LEU 22 3HD2 LEU 22 5.921 1.128 0.130 172 HD22 LEU 22 1HD2 LEU 22 5.651 -0.007 -1.192 173 HD23 LEU 22 2HD2 LEU 22 4.425 0.195 0.059 174 H THR 23 H THR 23 6.691 5.605 -2.245 175 HA THR 23 HA THR 23 8.707 5.193 -4.181 176 HB THR 23 HB THR 23 6.920 7.125 -3.970 177 HG1 THR 23 1HG THR 23 7.939 7.461 -5.788 178 HG21 THR 23 3HG2 THR 23 7.991 7.993 -1.856 179 HG22 THR 23 1HG2 THR 23 7.753 9.193 -3.127 180 HG23 THR 23 2HG2 THR 23 9.354 8.505 -2.849 181 H ARG 24 H ARG 24 8.762 6.212 -0.838 182 HA ARG 24 HA ARG 24 11.428 7.158 -0.769 183 HB2 ARG 24 2HB ARG 24 9.609 6.078 1.378 184 HB3 ARG 24 1HB ARG 24 11.218 6.709 1.710 185 HG2 ARG 24 2HG ARG 24 10.578 8.876 0.841 186 HG3 ARG 24 1HG ARG 24 8.980 8.255 0.422 187 HD2 ARG 24 2HD ARG 24 8.887 9.489 2.503 188 HD3 ARG 24 1HD ARG 24 8.559 7.781 2.784 189 HE ARG 24 HE ARG 24 11.250 8.861 3.246 190 HH11 ARG 24 1HH1 ARG 24 8.350 7.331 4.435 191 HH12 ARG 24 2HH1 ARG 24 9.048 6.910 5.963 192 HH21 ARG 24 1HH2 ARG 24 12.171 8.309 5.254 193 HH22 ARG 24 2HH2 ARG 24 11.218 7.467 6.429 194 H ALA 25 H ALA 25 9.945 4.021 -0.137 195 HA ALA 25 HA ALA 25 12.211 2.620 0.702 196 HB1 ALA 25 1HB ALA 25 10.980 0.598 0.069 197 HB2 ALA 25 2HB ALA 25 9.817 1.581 -0.819 198 HB3 ALA 25 3HB ALA 25 9.944 1.734 0.933 199 H GLN 26 H GLN 26 10.977 3.389 -2.490 200 HA GLN 26 HA GLN 26 12.636 1.727 -4.015 201 HB2 GLN 26 2HB GLN 26 10.986 4.130 -4.501 202 HB3 GLN 26 1HB GLN 26 12.281 3.851 -5.659 203 HG2 GLN 26 2HG GLN 26 11.401 1.808 -6.342 204 HG3 GLN 26 1HG GLN 26 10.381 1.665 -4.912 205 HE21 GLN 26 1HE2 GLN 26 8.463 2.852 -4.804 206 HE22 GLN 26 2HE2 GLN 26 7.735 3.542 -6.211 207 H GLU 27 H GLU 27 13.095 5.066 -2.896 208 HA GLU 27 HA GLU 27 15.623 5.389 -4.127 209 HB2 GLU 27 2HB GLU 27 14.613 6.827 -1.675 210 HB3 GLU 27 1HB GLU 27 15.868 7.363 -2.785 211 HG2 GLU 27 2HG GLU 27 14.226 7.592 -4.560 212 HG3 GLU 27 1HG GLU 27 12.960 7.012 -3.478 213 H LYS 28 H LYS 28 14.568 4.018 -1.098 214 HA LYS 28 HA LYS 28 17.130 3.996 0.151 215 HB2 LYS 28 2HB LYS 28 15.024 3.915 1.419 216 HB3 LYS 28 1HB LYS 28 14.703 2.315 0.762 217 HG2 LYS 28 2HG LYS 28 16.217 1.306 2.097 218 HG3 LYS 28 1HG LYS 28 17.304 2.696 2.101 219 HD2 LYS 28 2HD LYS 28 14.659 2.807 3.499 220 HD3 LYS 28 1HD LYS 28 16.060 2.072 4.279 221 HE2 LYS 28 2HE LYS 28 16.002 4.329 4.996 222 HE3 LYS 28 1HE LYS 28 17.300 4.216 3.808 223 HZ1 LYS 28 3HZ LYS 28 15.867 5.173 2.152 224 HZ2 LYS 28 1HZ LYS 28 15.892 6.187 3.506 225 HZ3 LYS 28 2HZ LYS 28 14.557 5.189 3.222 226 H VAL 29 H VAL 29 15.271 1.560 -1.657 227 HA VAL 29 HA VAL 29 17.001 -0.592 -1.216 228 HB VAL 29 HB VAL 29 16.088 -1.563 -3.332 229 HG11 VAL 29 1HG1 VAL 29 14.996 -1.953 -1.201 230 HG12 VAL 29 2HG1 VAL 29 13.792 -1.788 -2.479 231 HG13 VAL 29 3HG1 VAL 29 14.089 -0.450 -1.368 232 HG21 VAL 29 3HG2 VAL 29 14.317 -0.433 -4.513 233 HG22 VAL 29 1HG2 VAL 29 15.764 0.575 -4.528 234 HG23 VAL 29 2HG2 VAL 29 14.433 0.954 -3.432 235 H LEU 30 H LEU 30 17.181 2.087 -3.445 236 HA LEU 30 HA LEU 30 19.090 1.134 -5.239 237 HB2 LEU 30 2HB LEU 30 18.855 3.943 -4.147 238 HB3 LEU 30 1HB LEU 30 19.685 3.481 -5.619 239 HG LEU 30 HG LEU 30 16.734 3.065 -5.213 240 HD11 LEU 30 1HD1 LEU 30 16.399 5.090 -6.544 241 HD12 LEU 30 2HD1 LEU 30 18.137 5.386 -6.528 242 HD13 LEU 30 3HD1 LEU 30 17.218 5.447 -5.022 243 HD21 LEU 30 3HD2 LEU 30 18.454 3.134 -7.686 244 HD22 LEU 30 1HD2 LEU 30 16.707 2.893 -7.644 245 HD23 LEU 30 2HD2 LEU 30 17.781 1.687 -6.933 246 H GLN 31 H GLN 31 19.416 2.420 -1.991 247 HA GLN 31 HA GLN 31 22.211 2.744 -1.947 248 HB2 GLN 31 2HB GLN 31 20.252 2.170 0.285 249 HB3 GLN 31 1HB GLN 31 21.943 2.586 0.543 250 HG2 GLN 31 2HG GLN 31 21.572 4.734 -0.579 251 HG3 GLN 31 1HG GLN 31 19.872 4.317 -0.788 252 HE21 GLN 31 1HE2 GLN 31 18.513 4.286 1.005 253 HE22 GLN 31 2HE2 GLN 31 18.943 5.048 2.495 254 H LYS 32 H LYS 32 20.165 -0.046 -1.605 255 HA LYS 32 HA LYS 32 22.152 -1.764 -0.469 256 HB2 LYS 32 2HB LYS 32 19.630 -2.504 -1.966 257 HB3 LYS 32 1HB LYS 32 20.570 -3.561 -0.922 258 HG2 LYS 32 2HG LYS 32 19.963 -2.318 1.016 259 HG3 LYS 32 1HG LYS 32 19.227 -1.046 0.038 260 HD2 LYS 32 2HD LYS 32 17.478 -2.421 0.943 261 HD3 LYS 32 1HD LYS 32 17.583 -2.719 -0.792 262 HE2 LYS 32 2HE LYS 32 17.304 -4.807 0.431 263 HE3 LYS 32 1HE LYS 32 18.876 -4.752 -0.364 264 HZ1 LYS 32 3HZ LYS 32 18.367 -4.192 2.507 265 HZ2 LYS 32 1HZ LYS 32 19.877 -4.118 1.748 266 HZ3 LYS 32 2HZ LYS 32 19.067 -5.598 1.882 267 H LEU 33 H LEU 33 20.844 -1.252 -3.721 268 HA LEU 33 HA LEU 33 22.644 -3.161 -4.919 269 HB2 LEU 33 2HB LEU 33 21.091 -1.104 -6.446 270 HB3 LEU 33 1HB LEU 33 21.547 -2.723 -6.937 271 HG LEU 33 HG LEU 33 19.458 -2.046 -4.872 272 HD11 LEU 33 1HD1 LEU 33 18.719 -1.424 -7.082 273 HD12 LEU 33 2HD1 LEU 33 17.872 -2.881 -6.561 274 HD13 LEU 33 3HD1 LEU 33 19.197 -2.998 -7.718 275 HD21 LEU 33 3HD2 LEU 33 18.897 -4.438 -5.007 276 HD22 LEU 33 1HD2 LEU 33 20.528 -4.170 -4.394 277 HD23 LEU 33 2HD2 LEU 33 20.288 -4.690 -6.060 278 H TYR 34 H TYR 34 22.095 0.249 -5.745 279 HA TYR 34 HA TYR 34 24.656 0.600 -6.878 280 HB2 TYR 34 2HB TYR 34 22.704 2.690 -5.890 281 HB3 TYR 34 1HB TYR 34 24.068 2.984 -6.964 282 HD1 TYR 34 1HD TYR 34 23.997 2.271 -9.289 283 HD2 TYR 34 2HD TYR 34 20.682 1.607 -6.699 284 HE1 TYR 34 1HE TYR 34 22.575 1.802 -11.238 285 HE2 TYR 34 2HE TYR 34 19.254 1.136 -8.645 286 HH TYR 34 HH TYR 34 20.506 0.616 -11.767 Start of MODEL 7 1 H1 MET 1 1HT MET 1 -9.676 -5.936 13.280 2 H2 MET 1 2HT MET 1 -10.749 -7.114 13.845 3 H3 MET 1 3HT MET 1 -9.816 -6.227 14.941 4 HA MET 1 HA MET 1 -12.086 -5.445 14.928 5 HB2 MET 1 2HB MET 1 -10.258 -3.857 15.371 6 HB3 MET 1 1HB MET 1 -10.143 -3.509 13.652 7 HG2 MET 1 2HG MET 1 -12.375 -2.572 13.662 8 HG3 MET 1 1HG MET 1 -12.560 -2.982 15.366 9 HE1 MET 1 2HE MET 1 -9.736 -2.275 16.591 10 HE2 MET 1 3HE MET 1 -11.267 -1.805 17.329 11 HE3 MET 1 1HE MET 1 -9.997 -0.605 17.092 12 H ALA 2 H ALA 2 -13.390 -6.582 13.438 13 HA ALA 2 HA ALA 2 -13.401 -5.880 10.652 14 HB1 ALA 2 1HB ALA 2 -15.305 -7.387 10.485 15 HB2 ALA 2 2HB ALA 2 -15.399 -7.482 12.243 16 HB3 ALA 2 3HB ALA 2 -13.995 -8.135 11.400 17 H GLU 3 H GLU 3 -13.920 -3.769 10.317 18 HA GLU 3 HA GLU 3 -16.035 -2.450 11.726 19 HB2 GLU 3 2HB GLU 3 -14.531 -1.644 9.230 20 HB3 GLU 3 1HB GLU 3 -15.617 -0.600 10.136 21 HG2 GLU 3 2HG GLU 3 -14.155 -0.754 12.080 22 HG3 GLU 3 1HG GLU 3 -13.070 -1.816 11.183 23 H MET 4 H MET 4 -15.633 -3.804 8.486 24 HA MET 4 HA MET 4 -17.116 -4.052 6.744 25 HB2 MET 4 2HB MET 4 -18.619 -5.213 9.091 26 HB3 MET 4 1HB MET 4 -19.047 -5.490 7.408 27 HG2 MET 4 2HG MET 4 -16.835 -6.506 7.040 28 HG3 MET 4 1HG MET 4 -16.475 -6.286 8.752 29 HE1 MET 4 3HE MET 4 -16.283 -9.133 7.255 30 HE2 MET 4 1HE MET 4 -16.977 -10.150 8.518 31 HE3 MET 4 2HE MET 4 -15.882 -8.834 8.946 32 H GLY 5 H GLY 5 -17.283 -1.458 7.373 33 HA2 GLY 5 2HA GLY 5 -19.996 -0.836 6.664 34 HA3 GLY 5 1HA GLY 5 -19.586 -0.305 8.287 35 H SER 6 H SER 6 -16.755 0.200 7.388 36 HA SER 6 HA SER 6 -16.955 2.280 5.418 37 HB2 SER 6 2HB SER 6 -15.845 3.808 7.345 38 HB3 SER 6 1HB SER 6 -17.567 3.829 6.972 39 HG SER 6 HG SER 6 -17.981 2.688 8.751 40 H LYS 7 H LYS 7 -15.396 -0.202 6.599 41 HA LYS 7 HA LYS 7 -12.704 0.787 6.744 42 HB2 LYS 7 2HB LYS 7 -12.792 -1.088 8.027 43 HB3 LYS 7 1HB LYS 7 -14.099 -1.794 7.091 44 HG2 LYS 7 2HG LYS 7 -12.240 -3.215 6.840 45 HG3 LYS 7 1HG LYS 7 -12.407 -2.328 5.325 46 HD2 LYS 7 2HD LYS 7 -10.664 -0.743 6.137 47 HD3 LYS 7 1HD LYS 7 -10.442 -1.778 7.549 48 HE2 LYS 7 2HE LYS 7 -8.764 -2.228 5.824 49 HE3 LYS 7 1HE LYS 7 -9.795 -3.630 6.111 50 HZ1 LYS 7 3HZ LYS 7 -10.092 -1.702 3.869 51 HZ2 LYS 7 1HZ LYS 7 -11.065 -3.059 4.140 52 HZ3 LYS 7 2HZ LYS 7 -9.431 -3.253 3.750 53 H GLY 8 H GLY 8 -14.819 -0.646 4.350 54 HA2 GLY 8 2HA GLY 8 -12.776 -1.214 2.433 55 HA3 GLY 8 1HA GLY 8 -14.504 -1.147 2.120 56 H VAL 9 H VAL 9 -15.007 1.495 2.911 57 HA VAL 9 HA VAL 9 -14.183 2.890 0.565 58 HB VAL 9 HB VAL 9 -15.419 4.805 1.514 59 HG11 VAL 9 1HG1 VAL 9 -16.621 3.132 0.233 60 HG12 VAL 9 2HG1 VAL 9 -17.632 3.739 1.544 61 HG13 VAL 9 3HG1 VAL 9 -16.857 2.161 1.687 62 HG21 VAL 9 3HG2 VAL 9 -15.806 2.993 3.896 63 HG22 VAL 9 1HG2 VAL 9 -16.637 4.525 3.632 64 HG23 VAL 9 2HG2 VAL 9 -14.890 4.500 3.865 65 H THR 10 H THR 10 -13.245 2.975 3.959 66 HA THR 10 HA THR 10 -11.665 5.322 3.828 67 HB THR 10 HB THR 10 -11.495 2.978 5.725 68 HG1 THR 10 1HG THR 10 -13.384 4.663 5.516 69 HG21 THR 10 3HG2 THR 10 -10.237 5.719 5.915 70 HG22 THR 10 1HG2 THR 10 -9.384 4.187 5.721 71 HG23 THR 10 2HG2 THR 10 -10.267 4.522 7.211 72 H ALA 11 H ALA 11 -10.841 1.874 3.607 73 HA ALA 11 HA ALA 11 -8.079 2.125 3.371 74 HB1 ALA 11 1HB ALA 11 -9.832 0.043 2.074 75 HB2 ALA 11 2HB ALA 11 -9.253 -0.002 3.739 76 HB3 ALA 11 3HB ALA 11 -8.105 -0.097 2.403 77 H GLY 12 H GLY 12 -10.443 3.242 1.272 78 HA2 GLY 12 2HA GLY 12 -9.148 2.834 -1.232 79 HA3 GLY 12 1HA GLY 12 -10.418 4.003 -0.901 80 H LYS 13 H LYS 13 -9.258 5.613 0.990 81 HA LYS 13 HA LYS 13 -7.594 7.257 -0.612 82 HB2 LYS 13 2HB LYS 13 -7.548 8.769 1.251 83 HB3 LYS 13 1HB LYS 13 -9.168 8.097 1.135 84 HG2 LYS 13 2HG LYS 13 -8.856 7.915 3.372 85 HG3 LYS 13 1HG LYS 13 -8.180 6.365 2.872 86 HD2 LYS 13 2HD LYS 13 -6.524 7.146 4.271 87 HD3 LYS 13 1HD LYS 13 -5.952 7.724 2.707 88 HE2 LYS 13 2HE LYS 13 -5.777 9.471 4.394 89 HE3 LYS 13 1HE LYS 13 -6.938 9.913 3.143 90 HZ1 LYS 13 3HZ LYS 13 -7.783 10.436 5.336 91 HZ2 LYS 13 1HZ LYS 13 -7.605 8.825 5.826 92 HZ3 LYS 13 2HZ LYS 13 -8.726 9.226 4.625 93 H ILE 14 H ILE 14 -6.958 4.940 1.954 94 HA ILE 14 HA ILE 14 -4.280 5.643 2.463 95 HB ILE 14 HB ILE 14 -5.760 3.039 2.802 96 HG12 ILE 14 2HG1 ILE 14 -5.108 3.715 5.268 97 HG13 ILE 14 1HG1 ILE 14 -4.967 5.321 4.563 98 HG21 ILE 14 1HG2 ILE 14 -2.894 3.642 3.502 99 HG22 ILE 14 2HG2 ILE 14 -3.491 2.394 2.408 100 HG23 ILE 14 3HG2 ILE 14 -3.804 2.272 4.140 101 HD11 ILE 14 3HD1 ILE 14 -7.148 5.062 5.502 102 HD12 ILE 14 1HD1 ILE 14 -7.409 3.571 4.600 103 HD13 ILE 14 2HD1 ILE 14 -7.290 5.109 3.745 104 H ALA 15 H ALA 15 -5.763 3.602 0.010 105 HA ALA 15 HA ALA 15 -3.552 2.232 -0.939 106 HB1 ALA 15 1HB ALA 15 -5.811 3.361 -2.588 107 HB2 ALA 15 2HB ALA 15 -5.847 1.830 -1.712 108 HB3 ALA 15 3HB ALA 15 -4.728 2.051 -3.058 109 H SER 16 H SER 16 -4.696 5.467 -1.812 110 HA SER 16 HA SER 16 -2.703 6.028 -3.716 111 HB2 SER 16 2HB SER 16 -4.751 7.365 -3.538 112 HB3 SER 16 1HB SER 16 -4.251 7.938 -1.948 113 HG SER 16 HG SER 16 -3.574 8.876 -4.374 114 H ASN 17 H ASN 17 -2.804 6.312 -0.234 115 HA ASN 17 HA ASN 17 -0.438 7.880 0.020 116 HB2 ASN 17 2HB ASN 17 -2.339 6.551 1.843 117 HB3 ASN 17 1HB ASN 17 -0.712 6.785 2.471 118 HD21 ASN 17 1HD2 ASN 17 -3.203 8.018 3.303 119 HD22 ASN 17 2HD2 ASN 17 -2.983 9.723 3.128 120 H VAL 18 H VAL 18 -1.012 4.434 -0.240 121 HA VAL 18 HA VAL 18 1.349 3.551 1.020 122 HB VAL 18 HB VAL 18 1.015 1.441 0.031 123 HG11 VAL 18 1HG1 VAL 18 -1.743 2.627 0.196 124 HG12 VAL 18 2HG1 VAL 18 -0.762 2.192 1.594 125 HG13 VAL 18 3HG1 VAL 18 -1.284 0.946 0.462 126 HG21 VAL 18 3HG2 VAL 18 -0.223 2.975 -2.180 127 HG22 VAL 18 1HG2 VAL 18 -0.821 1.343 -1.877 128 HG23 VAL 18 2HG2 VAL 18 0.886 1.606 -2.233 129 H GLN 19 H GLN 19 0.681 4.573 -2.292 130 HA GLN 19 HA GLN 19 3.077 3.875 -3.513 131 HB2 GLN 19 2HB GLN 19 0.840 5.122 -4.336 132 HB3 GLN 19 1HB GLN 19 1.905 6.514 -4.195 133 HG2 GLN 19 2HG GLN 19 3.498 5.465 -5.703 134 HG3 GLN 19 1HG GLN 19 2.457 4.047 -5.819 135 HE21 GLN 19 1HE2 GLN 19 0.014 5.636 -5.832 136 HE22 GLN 19 2HE2 GLN 19 -0.089 6.349 -7.402 137 H LYS 20 H LYS 20 2.250 6.648 -1.513 138 HA LYS 20 HA LYS 20 4.573 8.173 -1.893 139 HB2 LYS 20 2HB LYS 20 3.277 8.058 0.805 140 HB3 LYS 20 1HB LYS 20 3.913 9.444 -0.060 141 HG2 LYS 20 2HG LYS 20 1.412 8.001 -0.892 142 HG3 LYS 20 1HG LYS 20 1.422 9.363 0.223 143 HD2 LYS 20 2HD LYS 20 1.013 10.434 -1.757 144 HD3 LYS 20 1HD LYS 20 2.774 10.530 -1.696 145 HE2 LYS 20 2HE LYS 20 2.950 8.607 -3.172 146 HE3 LYS 20 1HE LYS 20 1.195 8.430 -3.180 147 HZ1 LYS 20 3HZ LYS 20 1.033 10.616 -4.224 148 HZ2 LYS 20 1HZ LYS 20 1.951 9.552 -5.167 149 HZ3 LYS 20 2HZ LYS 20 2.720 10.746 -4.247 150 H LYS 21 H LYS 21 3.768 5.599 0.358 151 HA LYS 21 HA LYS 21 6.268 5.624 1.729 152 HB2 LYS 21 2HB LYS 21 4.758 4.598 3.084 153 HB3 LYS 21 1HB LYS 21 3.793 4.020 1.739 154 HG2 LYS 21 2HG LYS 21 6.419 2.724 2.210 155 HG3 LYS 21 1HG LYS 21 5.101 2.375 3.331 156 HD2 LYS 21 2HD LYS 21 4.602 2.251 0.392 157 HD3 LYS 21 1HD LYS 21 5.433 0.910 1.186 158 HE2 LYS 21 2HE LYS 21 2.745 2.024 1.982 159 HE3 LYS 21 1HE LYS 21 2.999 0.557 1.038 160 HZ1 LYS 21 3HZ LYS 21 2.615 0.086 3.389 161 HZ2 LYS 21 1HZ LYS 21 3.978 0.998 3.807 162 HZ3 LYS 21 2HZ LYS 21 4.154 -0.422 2.903 163 H LEU 22 H LEU 22 4.979 4.079 -1.094 164 HA LEU 22 HA LEU 22 6.896 2.045 -1.424 165 HB2 LEU 22 2HB LEU 22 5.031 1.668 -2.694 166 HB3 LEU 22 1HB LEU 22 4.821 3.361 -3.085 167 HG LEU 22 HG LEU 22 6.680 3.190 -4.700 168 HD11 LEU 22 1HD1 LEU 22 7.506 1.000 -5.368 169 HD12 LEU 22 2HD1 LEU 22 6.530 0.236 -4.114 170 HD13 LEU 22 3HD1 LEU 22 7.862 1.300 -3.668 171 HD21 LEU 22 3HD2 LEU 22 4.378 2.973 -5.443 172 HD22 LEU 22 1HD2 LEU 22 4.418 1.243 -5.108 173 HD23 LEU 22 2HD2 LEU 22 5.433 1.917 -6.382 174 H THR 23 H THR 23 6.781 5.422 -2.444 175 HA THR 23 HA THR 23 9.045 5.305 -4.144 176 HB THR 23 HB THR 23 7.192 7.184 -3.847 177 HG1 THR 23 1HG THR 23 9.110 6.984 -5.351 178 HG21 THR 23 3HG2 THR 23 9.485 8.379 -2.295 179 HG22 THR 23 1HG2 THR 23 8.037 7.731 -1.527 180 HG23 THR 23 2HG2 THR 23 7.911 9.100 -2.631 181 H ARG 24 H ARG 24 8.617 5.761 -0.705 182 HA ARG 24 HA ARG 24 11.196 6.736 -0.098 183 HB2 ARG 24 2HB ARG 24 9.338 5.098 1.639 184 HB3 ARG 24 1HB ARG 24 10.703 6.051 2.205 185 HG2 ARG 24 2HG ARG 24 9.608 8.091 1.453 186 HG3 ARG 24 1HG ARG 24 8.247 7.144 0.849 187 HD2 ARG 24 2HD ARG 24 7.848 6.325 3.146 188 HD3 ARG 24 1HD ARG 24 9.153 7.365 3.716 189 HE ARG 24 HE ARG 24 7.401 9.008 2.358 190 HH11 ARG 24 1HH1 ARG 24 7.286 6.902 5.133 191 HH12 ARG 24 2HH1 ARG 24 6.055 7.817 5.937 192 HH21 ARG 24 1HH2 ARG 24 5.781 10.218 3.409 193 HH22 ARG 24 2HH2 ARG 24 5.201 9.703 4.959 194 H ALA 25 H ALA 25 9.842 3.470 -0.210 195 HA ALA 25 HA ALA 25 12.129 2.090 0.653 196 HB1 ALA 25 1HB ALA 25 11.101 0.115 -0.338 197 HB2 ALA 25 2HB ALA 25 9.965 1.134 -1.223 198 HB3 ALA 25 3HB ALA 25 9.901 1.064 0.538 199 H GLN 26 H GLN 26 11.074 3.216 -2.501 200 HA GLN 26 HA GLN 26 12.996 1.916 -4.076 201 HB2 GLN 26 2HB GLN 26 11.186 4.246 -4.419 202 HB3 GLN 26 1HB GLN 26 12.533 4.102 -5.543 203 HG2 GLN 26 2HG GLN 26 11.765 2.086 -6.403 204 HG3 GLN 26 1HG GLN 26 10.717 1.786 -5.020 205 HE21 GLN 26 1HE2 GLN 26 10.939 4.877 -6.629 206 HE22 GLN 26 2HE2 GLN 26 9.359 4.851 -7.326 207 H GLU 27 H GLU 27 13.026 5.195 -2.664 208 HA GLU 27 HA GLU 27 15.587 5.832 -3.654 209 HB2 GLU 27 2HB GLU 27 15.564 7.714 -2.181 210 HB3 GLU 27 1HB GLU 27 13.952 7.519 -2.854 211 HG2 GLU 27 2HG GLU 27 13.119 6.627 -0.832 212 HG3 GLU 27 1HG GLU 27 14.742 6.451 -0.170 213 H LYS 28 H LYS 28 14.499 4.120 -0.827 214 HA LYS 28 HA LYS 28 16.996 4.218 0.556 215 HB2 LYS 28 2HB LYS 28 14.932 3.882 1.780 216 HB3 LYS 28 1HB LYS 28 14.628 2.384 0.910 217 HG2 LYS 28 2HG LYS 28 16.530 1.339 1.925 218 HG3 LYS 28 1HG LYS 28 17.009 2.855 2.686 219 HD2 LYS 28 2HD LYS 28 14.973 2.849 4.021 220 HD3 LYS 28 1HD LYS 28 14.439 1.367 3.225 221 HE2 LYS 28 2HE LYS 28 15.390 0.865 5.404 222 HE3 LYS 28 1HE LYS 28 16.392 0.190 4.121 223 HZ1 LYS 28 3HZ LYS 28 16.930 2.710 5.598 224 HZ2 LYS 28 1HZ LYS 28 17.890 2.077 4.357 225 HZ3 LYS 28 2HZ LYS 28 17.739 1.242 5.820 226 H VAL 29 H VAL 29 15.440 1.795 -1.536 227 HA VAL 29 HA VAL 29 17.327 -0.240 -1.145 228 HB VAL 29 HB VAL 29 16.608 -1.118 -3.378 229 HG11 VAL 29 1HG1 VAL 29 14.308 -1.615 -2.660 230 HG12 VAL 29 2HG1 VAL 29 14.438 -0.358 -1.430 231 HG13 VAL 29 3HG1 VAL 29 15.472 -1.784 -1.346 232 HG21 VAL 29 3HG2 VAL 29 14.720 1.232 -3.363 233 HG22 VAL 29 1HG2 VAL 29 14.795 -0.060 -4.560 234 HG23 VAL 29 2HG2 VAL 29 16.131 1.082 -4.411 235 H LEU 30 H LEU 30 17.384 2.602 -3.175 236 HA LEU 30 HA LEU 30 19.437 1.946 -4.929 237 HB2 LEU 30 2HB LEU 30 18.960 4.621 -3.607 238 HB3 LEU 30 1HB LEU 30 19.901 4.351 -5.061 239 HG LEU 30 HG LEU 30 16.980 3.667 -4.903 240 HD11 LEU 30 1HD1 LEU 30 18.217 6.257 -5.826 241 HD12 LEU 30 2HD1 LEU 30 17.240 6.040 -4.372 242 HD13 LEU 30 3HD1 LEU 30 16.516 5.812 -5.966 243 HD21 LEU 30 3HD2 LEU 30 18.847 4.207 -7.207 244 HD22 LEU 30 1HD2 LEU 30 17.126 3.846 -7.340 245 HD23 LEU 30 2HD2 LEU 30 18.235 2.629 -6.710 246 H GLN 31 H GLN 31 19.498 2.640 -1.543 247 HA GLN 31 HA GLN 31 22.285 3.210 -1.334 248 HB2 GLN 31 2HB GLN 31 20.171 2.474 0.690 249 HB3 GLN 31 1HB GLN 31 21.851 2.748 1.137 250 HG2 GLN 31 2HG GLN 31 21.708 5.018 0.216 251 HG3 GLN 31 1HG GLN 31 20.012 4.737 -0.174 252 HE21 GLN 31 1HE2 GLN 31 18.501 4.618 1.489 253 HE22 GLN 31 2HE2 GLN 31 18.842 5.195 3.082 254 H LYS 32 H LYS 32 20.313 0.294 -0.972 255 HA LYS 32 HA LYS 32 22.526 -1.309 -0.086 256 HB2 LYS 32 2HB LYS 32 21.024 -3.085 0.073 257 HB3 LYS 32 1HB LYS 32 20.019 -1.682 0.397 258 HG2 LYS 32 2HG LYS 32 19.241 -1.733 -1.939 259 HG3 LYS 32 1HG LYS 32 20.196 -3.190 -2.202 260 HD2 LYS 32 2HD LYS 32 18.168 -3.056 0.001 261 HD3 LYS 32 1HD LYS 32 17.680 -3.422 -1.653 262 HE2 LYS 32 2HE LYS 32 18.028 -5.486 -0.475 263 HE3 LYS 32 1HE LYS 32 19.309 -5.291 -1.670 264 HZ1 LYS 32 3HZ LYS 32 20.075 -6.074 0.539 265 HZ2 LYS 32 1HZ LYS 32 19.608 -4.588 1.197 266 HZ3 LYS 32 2HZ LYS 32 20.828 -4.649 0.026 267 H LEU 33 H LEU 33 20.964 -0.619 -3.144 268 HA LEU 33 HA LEU 33 22.430 -2.657 -4.576 269 HB2 LEU 33 2HB LEU 33 20.857 -0.369 -5.747 270 HB3 LEU 33 1HB LEU 33 21.292 -1.875 -6.531 271 HG LEU 33 HG LEU 33 19.339 -1.568 -4.256 272 HD11 LEU 33 1HD1 LEU 33 18.487 -0.680 -6.353 273 HD12 LEU 33 2HD1 LEU 33 17.654 -2.172 -5.918 274 HD13 LEU 33 3HD1 LEU 33 18.896 -2.188 -7.170 275 HD21 LEU 33 3HD2 LEU 33 20.118 -4.009 -5.846 276 HD22 LEU 33 1HD2 LEU 33 18.826 -3.930 -4.648 277 HD23 LEU 33 2HD2 LEU 33 20.504 -3.706 -4.152 278 H TYR 34 H TYR 34 22.188 0.855 -5.077 279 HA TYR 34 HA TYR 34 24.720 0.959 -6.410 280 HB2 TYR 34 2HB TYR 34 22.939 3.202 -5.433 281 HB3 TYR 34 1HB TYR 34 24.295 3.376 -6.541 282 HD1 TYR 34 1HD TYR 34 20.900 1.936 -6.164 283 HD2 TYR 34 2HD TYR 34 24.053 2.918 -8.855 284 HE1 TYR 34 1HE TYR 34 19.403 1.523 -8.068 285 HE2 TYR 34 2HE TYR 34 22.558 2.504 -10.763 286 HH TYR 34 HH TYR 34 20.500 1.211 -11.244 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -28.957 -3.148 2.654 2 H2 MET 1 2HT MET 1 -28.958 -1.909 3.806 3 H3 MET 1 3HT MET 1 -28.407 -3.451 4.226 4 HA MET 1 HA MET 1 -26.555 -1.967 3.920 5 HB2 MET 1 2HB MET 1 -26.368 -4.373 3.292 6 HB3 MET 1 1HB MET 1 -26.779 -3.943 1.639 7 HG2 MET 1 2HG MET 1 -24.773 -2.534 1.521 8 HG3 MET 1 1HG MET 1 -24.355 -3.017 3.164 9 HE1 MET 1 2HE MET 1 -23.639 -6.837 2.748 10 HE2 MET 1 3HE MET 1 -25.199 -6.119 3.150 11 HE3 MET 1 1HE MET 1 -23.721 -5.475 3.865 12 H ALA 2 H ALA 2 -25.966 -0.079 3.083 13 HA ALA 2 HA ALA 2 -26.245 0.504 0.287 14 HB1 ALA 2 1HB ALA 2 -27.682 2.459 0.524 15 HB2 ALA 2 2HB ALA 2 -27.900 2.096 2.237 16 HB3 ALA 2 3HB ALA 2 -28.517 0.985 1.013 17 H GLU 3 H GLU 3 -23.999 0.716 0.569 18 HA GLU 3 HA GLU 3 -22.013 1.735 1.055 19 HB2 GLU 3 2HB GLU 3 -23.653 4.216 0.623 20 HB3 GLU 3 1HB GLU 3 -21.918 4.057 0.411 21 HG2 GLU 3 2HG GLU 3 -22.282 2.480 -1.414 22 HG3 GLU 3 1HG GLU 3 -24.025 2.653 -1.212 23 H MET 4 H MET 4 -21.473 1.395 3.115 24 HA MET 4 HA MET 4 -22.634 2.679 5.301 25 HB2 MET 4 2HB MET 4 -20.057 1.137 5.124 26 HB3 MET 4 1HB MET 4 -20.830 1.632 6.624 27 HG2 MET 4 2HG MET 4 -22.797 0.276 6.021 28 HG3 MET 4 1HG MET 4 -21.947 -0.269 4.578 29 HE1 MET 4 3HE MET 4 -19.702 -1.686 4.644 30 HE2 MET 4 1HE MET 4 -18.936 -2.252 6.129 31 HE3 MET 4 2HE MET 4 -18.942 -0.532 5.739 32 H GLY 5 H GLY 5 -21.235 4.280 3.110 33 HA2 GLY 5 2HA GLY 5 -20.358 6.431 3.172 34 HA3 GLY 5 1HA GLY 5 -20.104 6.246 4.900 35 H SER 6 H SER 6 -18.028 6.857 5.110 36 HA SER 6 HA SER 6 -15.986 6.074 3.265 37 HB2 SER 6 2HB SER 6 -14.491 7.042 5.147 38 HB3 SER 6 1HB SER 6 -15.543 8.142 4.251 39 HG SER 6 HG SER 6 -15.947 8.617 6.334 40 H LYS 7 H LYS 7 -17.575 4.253 5.358 41 HA LYS 7 HA LYS 7 -15.454 2.960 6.773 42 HB2 LYS 7 2HB LYS 7 -18.302 2.105 6.216 43 HB3 LYS 7 1HB LYS 7 -17.194 1.217 7.252 44 HG2 LYS 7 2HG LYS 7 -18.072 4.059 7.715 45 HG3 LYS 7 1HG LYS 7 -18.766 2.641 8.502 46 HD2 LYS 7 2HD LYS 7 -16.578 2.113 9.471 47 HD3 LYS 7 1HD LYS 7 -15.889 3.537 8.688 48 HE2 LYS 7 2HE LYS 7 -17.431 4.963 9.960 49 HE3 LYS 7 1HE LYS 7 -18.087 3.533 10.756 50 HZ1 LYS 7 3HZ LYS 7 -16.452 4.640 12.141 51 HZ2 LYS 7 1HZ LYS 7 -15.276 4.479 10.935 52 HZ3 LYS 7 2HZ LYS 7 -15.901 3.104 11.696 53 H GLY 8 H GLY 8 -17.276 2.308 3.821 54 HA2 GLY 8 2HA GLY 8 -15.986 -0.185 3.283 55 HA3 GLY 8 1HA GLY 8 -16.962 0.746 2.156 56 H VAL 9 H VAL 9 -15.597 3.104 1.974 57 HA VAL 9 HA VAL 9 -13.402 2.332 0.307 58 HB VAL 9 HB VAL 9 -13.275 4.601 -0.378 59 HG11 VAL 9 1HG1 VAL 9 -16.135 3.869 0.214 60 HG12 VAL 9 2HG1 VAL 9 -15.210 3.443 -1.226 61 HG13 VAL 9 3HG1 VAL 9 -15.631 5.128 -0.915 62 HG21 VAL 9 3HG2 VAL 9 -13.229 5.694 1.778 63 HG22 VAL 9 1HG2 VAL 9 -14.915 5.265 2.064 64 HG23 VAL 9 2HG2 VAL 9 -14.502 6.408 0.787 65 H THR 10 H THR 10 -13.573 2.566 3.487 66 HA THR 10 HA THR 10 -11.596 4.135 4.501 67 HB THR 10 HB THR 10 -12.521 1.379 5.178 68 HG1 THR 10 1HG THR 10 -12.556 3.432 7.038 69 HG21 THR 10 3HG2 THR 10 -10.200 1.285 5.819 70 HG22 THR 10 1HG2 THR 10 -11.166 1.504 7.278 71 HG23 THR 10 2HG2 THR 10 -10.299 2.872 6.579 72 H ALA 11 H ALA 11 -11.046 0.754 3.498 73 HA ALA 11 HA ALA 11 -8.258 0.819 3.683 74 HB1 ALA 11 1HB ALA 11 -9.939 -0.938 1.900 75 HB2 ALA 11 2HB ALA 11 -9.578 -1.249 3.598 76 HB3 ALA 11 3HB ALA 11 -8.277 -1.243 2.406 77 H GLY 12 H GLY 12 -10.363 2.051 1.241 78 HA2 GLY 12 2HA GLY 12 -8.549 1.998 -0.943 79 HA3 GLY 12 1HA GLY 12 -9.955 3.045 -0.797 80 H LYS 13 H LYS 13 -9.046 4.198 1.722 81 HA LYS 13 HA LYS 13 -7.551 6.365 0.698 82 HB2 LYS 13 2HB LYS 13 -8.963 6.959 2.434 83 HB3 LYS 13 1HB LYS 13 -8.577 5.531 3.379 84 HG2 LYS 13 2HG LYS 13 -6.385 7.446 2.953 85 HG3 LYS 13 1HG LYS 13 -7.717 7.971 3.980 86 HD2 LYS 13 2HD LYS 13 -7.268 5.439 4.888 87 HD3 LYS 13 1HD LYS 13 -5.637 5.970 4.473 88 HE2 LYS 13 2HE LYS 13 -5.974 7.989 5.834 89 HE3 LYS 13 1HE LYS 13 -7.582 7.410 6.267 90 HZ1 LYS 13 3HZ LYS 13 -5.973 6.915 7.997 91 HZ2 LYS 13 1HZ LYS 13 -5.021 6.042 6.904 92 HZ3 LYS 13 2HZ LYS 13 -6.563 5.484 7.318 93 H ILE 14 H ILE 14 -6.721 3.558 2.671 94 HA ILE 14 HA ILE 14 -4.062 4.351 3.250 95 HB ILE 14 HB ILE 14 -5.336 1.612 3.243 96 HG12 ILE 14 2HG1 ILE 14 -4.968 2.036 5.792 97 HG13 ILE 14 1HG1 ILE 14 -4.863 3.729 5.318 98 HG21 ILE 14 1HG2 ILE 14 -2.954 1.353 2.918 99 HG22 ILE 14 2HG2 ILE 14 -3.385 0.887 4.563 100 HG23 ILE 14 3HG2 ILE 14 -2.623 2.448 4.261 101 HD11 ILE 14 3HD1 ILE 14 -7.089 3.631 4.382 102 HD12 ILE 14 1HD1 ILE 14 -7.103 3.103 6.064 103 HD13 ILE 14 2HD1 ILE 14 -7.194 1.913 4.764 104 H ALA 15 H ALA 15 -5.523 2.592 0.578 105 HA ALA 15 HA ALA 15 -3.294 1.417 -0.569 106 HB1 ALA 15 1HB ALA 15 -5.611 2.685 -2.025 107 HB2 ALA 15 2HB ALA 15 -5.589 1.055 -1.353 108 HB3 ALA 15 3HB ALA 15 -4.504 1.476 -2.677 109 H SER 16 H SER 16 -4.536 4.701 -1.059 110 HA SER 16 HA SER 16 -2.566 5.520 -2.900 111 HB2 SER 16 2HB SER 16 -3.278 7.813 -2.326 112 HB3 SER 16 1HB SER 16 -4.657 6.753 -2.604 113 HG SER 16 HG SER 16 -3.593 7.391 -0.053 114 H ASN 17 H ASN 17 -2.695 5.496 0.589 115 HA ASN 17 HA ASN 17 -0.409 7.126 1.025 116 HB2 ASN 17 2HB ASN 17 -2.195 5.449 2.694 117 HB3 ASN 17 1HB ASN 17 -0.616 5.852 3.357 118 HD21 ASN 17 1HD2 ASN 17 -3.690 7.078 2.312 119 HD22 ASN 17 2HD2 ASN 17 -3.530 8.650 3.010 120 H VAL 18 H VAL 18 -0.855 3.605 0.817 121 HA VAL 18 HA VAL 18 1.712 2.944 1.778 122 HB VAL 18 HB VAL 18 1.386 0.748 0.775 123 HG11 VAL 18 1HG1 VAL 18 -0.689 0.134 1.951 124 HG12 VAL 18 2HG1 VAL 18 -1.075 1.848 2.117 125 HG13 VAL 18 3HG1 VAL 18 0.352 1.185 2.912 126 HG21 VAL 18 3HG2 VAL 18 -0.428 0.182 -0.622 127 HG22 VAL 18 1HG2 VAL 18 0.276 1.646 -1.307 128 HG23 VAL 18 2HG2 VAL 18 -1.208 1.741 -0.359 129 H GLN 19 H GLN 19 0.537 3.857 -1.397 130 HA GLN 19 HA GLN 19 2.671 3.038 -2.990 131 HB2 GLN 19 2HB GLN 19 0.982 5.538 -3.211 132 HB3 GLN 19 1HB GLN 19 2.014 4.907 -4.484 133 HG2 GLN 19 2HG GLN 19 0.669 2.842 -4.512 134 HG3 GLN 19 1HG GLN 19 -0.397 3.554 -3.303 135 HE21 GLN 19 1HE2 GLN 19 -0.164 6.228 -4.491 136 HE22 GLN 19 2HE2 GLN 19 -1.145 6.197 -5.911 137 H LYS 20 H LYS 20 2.286 5.905 -0.965 138 HA LYS 20 HA LYS 20 4.595 7.279 -1.766 139 HB2 LYS 20 2HB LYS 20 3.748 7.361 1.100 140 HB3 LYS 20 1HB LYS 20 4.245 8.677 0.047 141 HG2 LYS 20 2HG LYS 20 1.594 7.251 0.008 142 HG3 LYS 20 1HG LYS 20 1.907 8.884 0.591 143 HD2 LYS 20 2HD LYS 20 2.322 7.963 -2.253 144 HD3 LYS 20 1HD LYS 20 0.895 8.820 -1.668 145 HE2 LYS 20 2HE LYS 20 2.278 10.727 -1.048 146 HE3 LYS 20 1HE LYS 20 3.723 9.866 -1.576 147 HZ1 LYS 20 3HZ LYS 20 2.856 9.847 -3.824 148 HZ2 LYS 20 1HZ LYS 20 2.945 11.434 -3.247 149 HZ3 LYS 20 2HZ LYS 20 1.452 10.645 -3.325 150 H LYS 21 H LYS 21 4.050 4.792 0.664 151 HA LYS 21 HA LYS 21 6.730 4.775 1.642 152 HB2 LYS 21 2HB LYS 21 5.448 3.806 3.243 153 HB3 LYS 21 1HB LYS 21 4.247 3.257 2.088 154 HG2 LYS 21 2HG LYS 21 6.870 1.861 2.158 155 HG3 LYS 21 1HG LYS 21 5.719 1.566 3.461 156 HD2 LYS 21 2HD LYS 21 4.820 1.433 0.613 157 HD3 LYS 21 1HD LYS 21 5.673 0.062 1.335 158 HE2 LYS 21 2HE LYS 21 3.185 1.343 2.462 159 HE3 LYS 21 1HE LYS 21 3.206 -0.125 1.484 160 HZ1 LYS 21 3HZ LYS 21 4.540 -1.202 3.172 161 HZ2 LYS 21 1HZ LYS 21 3.113 -0.607 3.859 162 HZ3 LYS 21 2HZ LYS 21 4.573 0.211 4.101 163 H LEU 22 H LEU 22 4.990 3.205 -0.912 164 HA LEU 22 HA LEU 22 6.796 1.119 -1.477 165 HB2 LEU 22 2HB LEU 22 4.772 0.734 -2.454 166 HB3 LEU 22 1HB LEU 22 4.500 2.426 -2.812 167 HG LEU 22 HG LEU 22 6.054 2.257 -4.715 168 HD11 LEU 22 1HD1 LEU 22 6.063 -0.695 -4.091 169 HD12 LEU 22 2HD1 LEU 22 7.430 0.397 -3.884 170 HD13 LEU 22 3HD1 LEU 22 6.798 0.074 -5.497 171 HD21 LEU 22 3HD2 LEU 22 3.661 1.984 -5.049 172 HD22 LEU 22 1HD2 LEU 22 3.805 0.254 -4.737 173 HD23 LEU 22 2HD2 LEU 22 4.571 0.962 -6.159 174 H THR 23 H THR 23 6.498 4.429 -2.719 175 HA THR 23 HA THR 23 8.603 4.196 -4.610 176 HB THR 23 HB THR 23 6.724 6.037 -4.383 177 HG1 THR 23 1HG THR 23 9.393 6.566 -5.242 178 HG21 THR 23 3HG2 THR 23 7.561 6.863 -2.188 179 HG22 THR 23 1HG2 THR 23 7.493 8.114 -3.427 180 HG23 THR 23 2HG2 THR 23 9.038 7.386 -2.991 181 H ARG 24 H ARG 24 8.456 4.945 -1.211 182 HA ARG 24 HA ARG 24 10.981 6.115 -0.867 183 HB2 ARG 24 2HB ARG 24 9.296 4.443 1.003 184 HB3 ARG 24 1HB ARG 24 10.774 5.256 1.499 185 HG2 ARG 24 2HG ARG 24 8.603 6.833 0.204 186 HG3 ARG 24 1HG ARG 24 8.453 6.366 1.899 187 HD2 ARG 24 2HD ARG 24 10.759 7.887 0.688 188 HD3 ARG 24 1HD ARG 24 9.455 8.589 1.646 189 HE ARG 24 HE ARG 24 10.570 6.596 3.199 190 HH11 ARG 24 1HH1 ARG 24 11.635 9.564 1.715 191 HH12 ARG 24 2HH1 ARG 24 12.824 9.895 2.932 192 HH21 ARG 24 1HH2 ARG 24 12.130 7.023 4.802 193 HH22 ARG 24 2HH2 ARG 24 13.107 8.449 4.685 194 H ALA 25 H ALA 25 9.944 2.763 -1.063 195 HA ALA 25 HA ALA 25 12.290 1.508 -0.204 196 HB1 ALA 25 1HB ALA 25 10.352 0.548 -2.309 197 HB2 ALA 25 2HB ALA 25 10.170 0.323 -0.569 198 HB3 ALA 25 3HB ALA 25 11.507 -0.448 -1.424 199 H GLN 26 H GLN 26 11.330 2.695 -3.390 200 HA GLN 26 HA GLN 26 13.529 1.730 -4.837 201 HB2 GLN 26 2HB GLN 26 11.676 4.063 -5.278 202 HB3 GLN 26 1HB GLN 26 12.957 3.659 -6.415 203 HG2 GLN 26 2HG GLN 26 11.952 1.354 -6.545 204 HG3 GLN 26 1HG GLN 26 10.579 1.994 -5.645 205 HE21 GLN 26 1HE2 GLN 26 10.767 4.615 -6.935 206 HE22 GLN 26 2HE2 GLN 26 10.142 4.405 -8.530 207 H GLU 27 H GLU 27 13.011 4.862 -3.229 208 HA GLU 27 HA GLU 27 15.536 5.918 -3.950 209 HB2 GLU 27 2HB GLU 27 13.817 6.683 -1.587 210 HB3 GLU 27 1HB GLU 27 15.114 7.639 -2.292 211 HG2 GLU 27 2HG GLU 27 12.577 6.866 -3.711 212 HG3 GLU 27 1HG GLU 27 12.879 8.424 -2.943 213 H LYS 28 H LYS 28 14.457 3.855 -1.367 214 HA LYS 28 HA LYS 28 16.696 4.224 0.344 215 HB2 LYS 28 2HB LYS 28 14.498 3.384 1.113 216 HB3 LYS 28 1HB LYS 28 14.778 1.897 0.214 217 HG2 LYS 28 2HG LYS 28 17.045 2.275 1.813 218 HG3 LYS 28 1HG LYS 28 15.652 2.624 2.838 219 HD2 LYS 28 2HD LYS 28 14.680 0.484 2.338 220 HD3 LYS 28 1HD LYS 28 15.935 0.147 1.143 221 HE2 LYS 28 2HE LYS 28 16.307 -1.026 3.287 222 HE3 LYS 28 1HE LYS 28 17.619 0.074 2.868 223 HZ1 LYS 28 3HZ LYS 28 16.704 1.702 4.392 224 HZ2 LYS 28 1HZ LYS 28 17.009 0.248 5.203 225 HZ3 LYS 28 2HZ LYS 28 15.426 0.664 4.781 226 H VAL 29 H VAL 29 15.885 1.761 -2.099 227 HA VAL 29 HA VAL 29 18.077 0.089 -1.617 228 HB VAL 29 HB VAL 29 17.795 -0.704 -3.966 229 HG11 VAL 29 1HG1 VAL 29 16.533 -1.707 -2.146 230 HG12 VAL 29 2HG1 VAL 29 15.553 -1.645 -3.612 231 HG13 VAL 29 3HG1 VAL 29 15.279 -0.478 -2.317 232 HG21 VAL 29 3HG2 VAL 29 17.072 1.495 -4.885 233 HG22 VAL 29 1HG2 VAL 29 15.520 1.263 -4.080 234 HG23 VAL 29 2HG2 VAL 29 16.033 0.145 -5.345 235 H LEU 30 H LEU 30 17.797 3.067 -3.421 236 HA LEU 30 HA LEU 30 20.137 2.974 -4.931 237 HB2 LEU 30 2HB LEU 30 18.938 5.391 -3.567 238 HB3 LEU 30 1HB LEU 30 20.072 5.425 -4.902 239 HG LEU 30 HG LEU 30 17.334 4.189 -5.108 240 HD11 LEU 30 1HD1 LEU 30 18.210 6.965 -5.896 241 HD12 LEU 30 2HD1 LEU 30 17.128 6.568 -4.559 242 HD13 LEU 30 3HD1 LEU 30 16.634 6.240 -6.222 243 HD21 LEU 30 3HD2 LEU 30 17.726 4.430 -7.511 244 HD22 LEU 30 1HD2 LEU 30 18.951 3.412 -6.753 245 HD23 LEU 30 2HD2 LEU 30 19.332 5.079 -7.182 246 H GLN 31 H GLN 31 19.633 3.497 -1.534 247 HA GLN 31 HA GLN 31 22.179 4.614 -0.943 248 HB2 GLN 31 2HB GLN 31 20.172 3.180 0.804 249 HB3 GLN 31 1HB GLN 31 21.616 3.978 1.413 250 HG2 GLN 31 2HG GLN 31 20.793 6.108 0.499 251 HG3 GLN 31 1HG GLN 31 19.327 5.290 -0.037 252 HE21 GLN 31 1HE2 GLN 31 17.837 4.570 1.504 253 HE22 GLN 31 2HE2 GLN 31 17.833 5.182 3.119 254 H LYS 32 H LYS 32 20.940 1.362 -1.246 255 HA LYS 32 HA LYS 32 23.239 0.097 -0.081 256 HB2 LYS 32 2HB LYS 32 21.043 -1.060 -1.808 257 HB3 LYS 32 1HB LYS 32 22.225 -1.990 -0.898 258 HG2 LYS 32 2HG LYS 32 21.333 -1.154 1.186 259 HG3 LYS 32 1HG LYS 32 20.199 -0.120 0.313 260 HD2 LYS 32 2HD LYS 32 19.109 -2.082 -0.629 261 HD3 LYS 32 1HD LYS 32 20.272 -3.135 0.180 262 HE2 LYS 32 2HE LYS 32 18.298 -1.295 1.528 263 HE3 LYS 32 1HE LYS 32 18.164 -3.049 1.404 264 HZ1 LYS 32 3HZ LYS 32 20.297 -1.560 2.838 265 HZ2 LYS 32 1HZ LYS 32 20.213 -3.244 2.692 266 HZ3 LYS 32 2HZ LYS 32 19.022 -2.410 3.555 267 H LEU 33 H LEU 33 22.076 0.751 -3.353 268 HA LEU 33 HA LEU 33 24.320 -0.557 -4.605 269 HB2 LEU 33 2HB LEU 33 22.430 1.365 -5.935 270 HB3 LEU 33 1HB LEU 33 23.336 0.056 -6.667 271 HG LEU 33 HG LEU 33 20.999 -0.256 -4.788 272 HD11 LEU 33 1HD1 LEU 33 19.824 -1.099 -6.768 273 HD12 LEU 33 2HD1 LEU 33 21.228 -0.701 -7.760 274 HD13 LEU 33 3HD1 LEU 33 20.320 0.583 -6.960 275 HD21 LEU 33 3HD2 LEU 33 22.592 -2.084 -4.553 276 HD22 LEU 33 1HD2 LEU 33 22.593 -2.324 -6.300 277 HD23 LEU 33 2HD2 LEU 33 21.129 -2.635 -5.369 278 H TYR 34 H TYR 34 23.132 2.791 -4.805 279 HA TYR 34 HA TYR 34 25.724 3.772 -5.567 280 HB2 TYR 34 2HB TYR 34 23.226 5.316 -4.836 281 HB3 TYR 34 1HB TYR 34 24.638 5.953 -5.671 282 HD1 TYR 34 1HD TYR 34 21.681 3.779 -5.987 283 HD2 TYR 34 2HD TYR 34 24.984 5.543 -8.013 284 HE1 TYR 34 1HE TYR 34 20.675 3.173 -8.147 285 HE2 TYR 34 2HE TYR 34 23.985 4.941 -10.177 286 HH TYR 34 HH TYR 34 20.770 3.879 -10.484 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -11.403 -10.363 -5.958 2 H2 MET 1 2HT MET 1 -12.214 -11.500 -5.002 3 H3 MET 1 3HT MET 1 -11.005 -10.532 -4.322 4 HA MET 1 HA MET 1 -12.325 -8.561 -4.670 5 HB2 MET 1 2HB MET 1 -14.461 -10.488 -5.608 6 HB3 MET 1 1HB MET 1 -14.630 -8.745 -5.443 7 HG2 MET 1 2HG MET 1 -12.845 -10.200 -7.380 8 HG3 MET 1 1HG MET 1 -14.334 -9.336 -7.759 9 HE1 MET 1 2HE MET 1 -11.435 -7.154 -9.343 10 HE2 MET 1 3HE MET 1 -12.920 -8.044 -9.682 11 HE3 MET 1 1HE MET 1 -11.466 -8.910 -9.186 12 H ALA 2 H ALA 2 -11.704 -8.987 -2.451 13 HA ALA 2 HA ALA 2 -13.433 -10.548 -0.769 14 HB1 ALA 2 1HB ALA 2 -11.045 -10.339 -0.298 15 HB2 ALA 2 2HB ALA 2 -12.022 -9.761 1.053 16 HB3 ALA 2 3HB ALA 2 -11.247 -8.607 -0.034 17 H GLU 3 H GLU 3 -15.481 -9.755 -0.696 18 HA GLU 3 HA GLU 3 -17.236 -8.426 -0.178 19 HB2 GLU 3 2HB GLU 3 -15.219 -7.155 1.676 20 HB3 GLU 3 1HB GLU 3 -16.961 -6.952 1.769 21 HG2 GLU 3 2HG GLU 3 -17.245 -9.305 2.247 22 HG3 GLU 3 1HG GLU 3 -15.511 -9.569 2.066 23 H MET 4 H MET 4 -14.842 -5.880 0.373 24 HA MET 4 HA MET 4 -14.442 -3.890 -0.638 25 HB2 MET 4 2HB MET 4 -15.834 -5.128 -3.019 26 HB3 MET 4 1HB MET 4 -14.923 -3.626 -3.041 27 HG2 MET 4 2HG MET 4 -12.916 -4.919 -2.330 28 HG3 MET 4 1HG MET 4 -13.862 -6.392 -2.532 29 HE1 MET 4 3HE MET 4 -14.708 -6.198 -6.387 30 HE2 MET 4 1HE MET 4 -15.651 -5.421 -5.116 31 HE3 MET 4 2HE MET 4 -15.018 -7.048 -4.873 32 H GLY 5 H GLY 5 -15.602 -2.468 0.514 33 HA2 GLY 5 2HA GLY 5 -18.045 -1.456 -0.631 34 HA3 GLY 5 1HA GLY 5 -18.283 -2.255 0.916 35 H SER 6 H SER 6 -17.783 -1.193 2.771 36 HA SER 6 HA SER 6 -17.318 1.624 2.596 37 HB2 SER 6 2HB SER 6 -17.573 -0.255 4.946 38 HB3 SER 6 1HB SER 6 -17.327 1.482 5.121 39 HG SER 6 HG SER 6 -19.602 0.183 4.719 40 H LYS 7 H LYS 7 -15.315 -0.961 2.474 41 HA LYS 7 HA LYS 7 -13.112 0.089 4.003 42 HB2 LYS 7 2HB LYS 7 -13.258 -2.215 2.052 43 HB3 LYS 7 1HB LYS 7 -11.856 -1.824 3.038 44 HG2 LYS 7 2HG LYS 7 -14.565 -2.526 4.144 45 HG3 LYS 7 1HG LYS 7 -13.238 -3.670 3.939 46 HD2 LYS 7 2HD LYS 7 -11.855 -2.368 5.461 47 HD3 LYS 7 1HD LYS 7 -13.141 -1.171 5.629 48 HE2 LYS 7 2HE LYS 7 -13.053 -2.733 7.530 49 HE3 LYS 7 1HE LYS 7 -14.585 -2.815 6.661 50 HZ1 LYS 7 3HZ LYS 7 -12.321 -4.711 6.325 51 HZ2 LYS 7 1HZ LYS 7 -13.819 -4.802 5.543 52 HZ3 LYS 7 2HZ LYS 7 -13.725 -5.014 7.219 53 H GLY 8 H GLY 8 -14.167 0.107 0.665 54 HA2 GLY 8 2HA GLY 8 -11.682 0.989 -0.429 55 HA3 GLY 8 1HA GLY 8 -13.245 1.048 -1.228 56 H VAL 9 H VAL 9 -14.558 2.645 0.757 57 HA VAL 9 HA VAL 9 -13.731 5.224 -0.148 58 HB VAL 9 HB VAL 9 -15.573 6.090 1.206 59 HG11 VAL 9 1HG1 VAL 9 -16.294 3.603 -0.334 60 HG12 VAL 9 2HG1 VAL 9 -16.052 5.212 -1.012 61 HG13 VAL 9 3HG1 VAL 9 -17.401 4.910 0.082 62 HG21 VAL 9 3HG2 VAL 9 -15.361 4.628 3.141 63 HG22 VAL 9 1HG2 VAL 9 -15.869 3.246 2.170 64 HG23 VAL 9 2HG2 VAL 9 -16.999 4.562 2.492 65 H THR 10 H THR 10 -13.305 3.383 2.804 66 HA THR 10 HA THR 10 -12.076 5.709 4.106 67 HB THR 10 HB THR 10 -12.859 3.033 5.278 68 HG1 THR 10 1HG THR 10 -14.747 3.965 5.396 69 HG21 THR 10 3HG2 THR 10 -10.973 4.002 6.482 70 HG22 THR 10 1HG2 THR 10 -12.441 4.116 7.452 71 HG23 THR 10 2HG2 THR 10 -11.826 5.540 6.614 72 H ALA 11 H ALA 11 -11.373 2.202 4.011 73 HA ALA 11 HA ALA 11 -8.661 2.490 4.688 74 HB1 ALA 11 1HB ALA 11 -8.402 0.174 4.123 75 HB2 ALA 11 2HB ALA 11 -9.882 0.194 3.167 76 HB3 ALA 11 3HB ALA 11 -9.962 0.387 4.917 77 H GLY 12 H GLY 12 -10.306 3.006 1.731 78 HA2 GLY 12 2HA GLY 12 -8.176 2.462 -0.071 79 HA3 GLY 12 1HA GLY 12 -9.566 3.491 -0.397 80 H LYS 13 H LYS 13 -9.008 5.167 1.946 81 HA LYS 13 HA LYS 13 -7.373 7.110 0.716 82 HB2 LYS 13 2HB LYS 13 -9.091 7.870 2.157 83 HB3 LYS 13 1HB LYS 13 -8.572 6.811 3.461 84 HG2 LYS 13 2HG LYS 13 -6.473 8.626 2.697 85 HG3 LYS 13 1HG LYS 13 -7.952 9.485 3.122 86 HD2 LYS 13 2HD LYS 13 -6.769 7.320 4.845 87 HD3 LYS 13 1HD LYS 13 -6.338 9.021 5.023 88 HE2 LYS 13 2HE LYS 13 -9.143 7.929 5.199 89 HE3 LYS 13 1HE LYS 13 -8.114 8.281 6.587 90 HZ1 LYS 13 3HZ LYS 13 -9.662 10.089 6.104 91 HZ2 LYS 13 1HZ LYS 13 -8.991 10.270 4.561 92 HZ3 LYS 13 2HZ LYS 13 -8.057 10.593 5.933 93 H ILE 14 H ILE 14 -6.870 4.849 3.385 94 HA ILE 14 HA ILE 14 -4.246 5.718 4.031 95 HB ILE 14 HB ILE 14 -5.600 3.067 4.559 96 HG12 ILE 14 2HG1 ILE 14 -6.778 4.913 5.604 97 HG13 ILE 14 1HG1 ILE 14 -5.916 4.003 6.842 98 HG21 ILE 14 1HG2 ILE 14 -3.884 2.755 6.294 99 HG22 ILE 14 2HG2 ILE 14 -3.076 4.221 5.736 100 HG23 ILE 14 3HG2 ILE 14 -3.194 2.819 4.671 101 HD11 ILE 14 3HD1 ILE 14 -5.741 6.394 7.213 102 HD12 ILE 14 1HD1 ILE 14 -5.023 6.599 5.614 103 HD13 ILE 14 2HD1 ILE 14 -4.160 5.694 6.858 104 H ALA 15 H ALA 15 -5.541 3.231 1.908 105 HA ALA 15 HA ALA 15 -3.212 1.856 1.280 106 HB1 ALA 15 1HB ALA 15 -5.447 1.131 0.576 107 HB2 ALA 15 2HB ALA 15 -4.320 1.179 -0.779 108 HB3 ALA 15 3HB ALA 15 -5.510 2.464 -0.576 109 H SER 16 H SER 16 -4.599 4.682 -0.346 110 HA SER 16 HA SER 16 -2.537 4.998 -2.229 111 HB2 SER 16 2HB SER 16 -3.416 7.306 -2.484 112 HB3 SER 16 1HB SER 16 -4.692 6.092 -2.520 113 HG SER 16 HG SER 16 -5.281 6.655 -0.469 114 H ASN 17 H ASN 17 -2.933 6.109 1.050 115 HA ASN 17 HA ASN 17 -0.846 8.018 1.079 116 HB2 ASN 17 2HB ASN 17 -2.326 6.536 3.224 117 HB3 ASN 17 1HB ASN 17 -1.034 7.661 3.611 118 HD21 ASN 17 1HD2 ASN 17 -3.860 7.791 4.266 119 HD22 ASN 17 2HD2 ASN 17 -4.446 9.271 3.595 120 H VAL 18 H VAL 18 -0.942 4.594 2.028 121 HA VAL 18 HA VAL 18 1.667 4.504 3.073 122 HB VAL 18 HB VAL 18 1.522 2.072 2.854 123 HG11 VAL 18 1HG1 VAL 18 -1.000 3.359 3.876 124 HG12 VAL 18 2HG1 VAL 18 0.501 3.145 4.774 125 HG13 VAL 18 3HG1 VAL 18 -0.441 1.738 4.284 126 HG21 VAL 18 3HG2 VAL 18 -1.149 2.496 1.549 127 HG22 VAL 18 1HG2 VAL 18 -0.327 0.966 1.849 128 HG23 VAL 18 2HG2 VAL 18 0.321 2.097 0.661 129 H GLN 19 H GLN 19 0.461 4.346 -0.186 130 HA GLN 19 HA GLN 19 2.515 3.061 -1.519 131 HB2 GLN 19 2HB GLN 19 0.902 5.454 -2.405 132 HB3 GLN 19 1HB GLN 19 1.865 4.443 -3.472 133 HG2 GLN 19 2HG GLN 19 -0.360 3.340 -1.796 134 HG3 GLN 19 1HG GLN 19 -0.625 4.000 -3.408 135 HE21 GLN 19 1HE2 GLN 19 -1.313 2.015 -4.200 136 HE22 GLN 19 2HE2 GLN 19 -0.218 0.714 -4.501 137 H LYS 20 H LYS 20 2.290 6.449 -0.522 138 HA LYS 20 HA LYS 20 4.653 7.370 -1.751 139 HB2 LYS 20 2HB LYS 20 3.296 8.317 0.782 140 HB3 LYS 20 1HB LYS 20 4.579 9.183 -0.047 141 HG2 LYS 20 2HG LYS 20 2.626 10.236 -0.710 142 HG3 LYS 20 1HG LYS 20 3.044 9.188 -2.064 143 HD2 LYS 20 2HD LYS 20 1.361 7.646 -1.528 144 HD3 LYS 20 1HD LYS 20 1.147 8.316 0.091 145 HE2 LYS 20 2HE LYS 20 0.465 9.695 -2.498 146 HE3 LYS 20 1HE LYS 20 -0.686 8.930 -1.405 147 HZ1 LYS 20 3HZ LYS 20 1.063 11.229 -0.711 148 HZ2 LYS 20 1HZ LYS 20 -0.090 10.513 0.302 149 HZ3 LYS 20 2HZ LYS 20 -0.582 11.335 -1.092 150 H LYS 21 H LYS 21 3.943 6.318 1.502 151 HA LYS 21 HA LYS 21 6.492 6.478 2.606 152 HB2 LYS 21 2HB LYS 21 4.092 4.792 3.231 153 HB3 LYS 21 1HB LYS 21 5.589 4.587 4.122 154 HG2 LYS 21 2HG LYS 21 4.194 6.044 5.377 155 HG3 LYS 21 1HG LYS 21 5.502 7.013 4.696 156 HD2 LYS 21 2HD LYS 21 4.019 7.769 2.907 157 HD3 LYS 21 1HD LYS 21 2.711 6.784 3.568 158 HE2 LYS 21 2HE LYS 21 2.746 8.089 5.623 159 HE3 LYS 21 1HE LYS 21 4.089 9.051 5.006 160 HZ1 LYS 21 3HZ LYS 21 1.997 10.209 4.735 161 HZ2 LYS 21 1HZ LYS 21 1.359 8.924 3.838 162 HZ3 LYS 21 2HZ LYS 21 2.646 9.831 3.220 163 H LEU 22 H LEU 22 5.076 4.008 0.573 164 HA LEU 22 HA LEU 22 7.279 2.173 1.010 165 HB2 LEU 22 2HB LEU 22 4.954 2.051 -0.909 166 HB3 LEU 22 1HB LEU 22 6.130 0.773 -0.678 167 HG LEU 22 HG LEU 22 4.247 1.804 1.434 168 HD11 LEU 22 1HD1 LEU 22 3.116 -0.356 1.170 169 HD12 LEU 22 2HD1 LEU 22 4.190 -0.745 -0.174 170 HD13 LEU 22 3HD1 LEU 22 3.059 0.600 -0.311 171 HD21 LEU 22 3HD2 LEU 22 6.148 -0.539 1.460 172 HD22 LEU 22 1HD2 LEU 22 5.010 -0.115 2.740 173 HD23 LEU 22 2HD2 LEU 22 6.350 0.966 2.357 174 H THR 23 H THR 23 6.410 4.724 -1.080 175 HA THR 23 HA THR 23 7.958 4.002 -3.342 176 HB THR 23 HB THR 23 6.188 6.068 -2.735 177 HG1 THR 23 1HG THR 23 6.059 5.819 -4.821 178 HG21 THR 23 3HG2 THR 23 8.887 7.244 -3.422 179 HG22 THR 23 1HG2 THR 23 8.041 7.442 -1.886 180 HG23 THR 23 2HG2 THR 23 7.356 8.118 -3.364 181 H ARG 24 H ARG 24 8.681 5.753 -0.365 182 HA ARG 24 HA ARG 24 11.239 6.675 -1.180 183 HB2 ARG 24 2HB ARG 24 11.631 7.223 1.109 184 HB3 ARG 24 1HB ARG 24 9.955 7.602 0.743 185 HG2 ARG 24 2HG ARG 24 9.162 5.759 1.952 186 HG3 ARG 24 1HG ARG 24 10.762 5.018 2.030 187 HD2 ARG 24 2HD ARG 24 11.529 6.927 3.391 188 HD3 ARG 24 1HD ARG 24 9.886 7.561 3.381 189 HE ARG 24 HE ARG 24 9.860 4.912 4.335 190 HH11 ARG 24 1HH1 ARG 24 10.873 8.111 5.286 191 HH12 ARG 24 2HH1 ARG 24 10.696 7.802 6.980 192 HH21 ARG 24 1HH2 ARG 24 9.626 4.499 6.565 193 HH22 ARG 24 2HH2 ARG 24 9.988 5.749 7.707 194 H ALA 25 H ALA 25 10.030 3.714 0.192 195 HA ALA 25 HA ALA 25 12.415 2.539 1.049 196 HB1 ALA 25 1HB ALA 25 10.169 1.633 1.532 197 HB2 ALA 25 2HB ALA 25 11.254 0.414 0.862 198 HB3 ALA 25 3HB ALA 25 10.019 1.152 -0.158 199 H GLN 26 H GLN 26 10.821 2.523 -2.109 200 HA GLN 26 HA GLN 26 12.618 0.838 -3.444 201 HB2 GLN 26 2HB GLN 26 10.990 3.127 -4.570 202 HB3 GLN 26 1HB GLN 26 11.728 1.837 -5.510 203 HG2 GLN 26 2HG GLN 26 10.308 0.199 -4.412 204 HG3 GLN 26 1HG GLN 26 9.585 1.473 -3.429 205 HE21 GLN 26 1HE2 GLN 26 7.525 1.086 -4.202 206 HE22 GLN 26 2HE2 GLN 26 7.040 1.503 -5.808 207 H GLU 27 H GLU 27 12.599 4.348 -2.989 208 HA GLU 27 HA GLU 27 14.864 4.874 -4.592 209 HB2 GLU 27 2HB GLU 27 13.893 6.481 -2.226 210 HB3 GLU 27 1HB GLU 27 14.922 7.046 -3.536 211 HG2 GLU 27 2HG GLU 27 13.104 6.768 -5.117 212 HG3 GLU 27 1HG GLU 27 12.068 6.137 -3.837 213 H LYS 28 H LYS 28 14.487 3.832 -1.277 214 HA LYS 28 HA LYS 28 17.188 4.399 -0.535 215 HB2 LYS 28 2HB LYS 28 15.405 4.295 1.141 216 HB3 LYS 28 1HB LYS 28 15.169 2.587 0.788 217 HG2 LYS 28 2HG LYS 28 17.328 2.038 1.627 218 HG3 LYS 28 1HG LYS 28 17.763 3.742 1.775 219 HD2 LYS 28 2HD LYS 28 16.021 4.031 3.477 220 HD3 LYS 28 1HD LYS 28 15.595 2.325 3.329 221 HE2 LYS 28 2HE LYS 28 17.026 2.704 5.267 222 HE3 LYS 28 1HE LYS 28 17.838 1.699 4.068 223 HZ1 LYS 28 3HZ LYS 28 19.049 3.647 3.307 224 HZ2 LYS 28 1HZ LYS 28 19.320 3.385 4.957 225 HZ3 LYS 28 2HZ LYS 28 18.269 4.612 4.457 226 H VAL 29 H VAL 29 15.460 1.467 -1.567 227 HA VAL 29 HA VAL 29 17.597 -0.307 -1.133 228 HB VAL 29 HB VAL 29 16.458 -1.835 -2.715 229 HG11 VAL 29 1HG1 VAL 29 14.671 -0.502 -0.685 230 HG12 VAL 29 2HG1 VAL 29 15.830 -1.794 -0.370 231 HG13 VAL 29 3HG1 VAL 29 14.418 -2.103 -1.381 232 HG21 VAL 29 3HG2 VAL 29 14.480 0.417 -3.041 233 HG22 VAL 29 1HG2 VAL 29 14.333 -1.210 -3.703 234 HG23 VAL 29 2HG2 VAL 29 15.610 -0.137 -4.276 235 H LEU 30 H LEU 30 16.736 1.651 -3.970 236 HA LEU 30 HA LEU 30 18.646 0.512 -5.695 237 HB2 LEU 30 2HB LEU 30 18.308 2.368 -7.141 238 HB3 LEU 30 1HB LEU 30 16.760 1.963 -6.429 239 HG LEU 30 HG LEU 30 17.388 3.857 -4.726 240 HD11 LEU 30 1HD1 LEU 30 19.644 4.228 -5.547 241 HD12 LEU 30 2HD1 LEU 30 18.653 5.667 -5.786 242 HD13 LEU 30 3HD1 LEU 30 19.013 4.607 -7.148 243 HD21 LEU 30 3HD2 LEU 30 16.113 5.395 -6.006 244 HD22 LEU 30 1HD2 LEU 30 15.501 3.783 -6.380 245 HD23 LEU 30 2HD2 LEU 30 16.566 4.607 -7.519 246 H GLN 31 H GLN 31 18.901 2.835 -3.135 247 HA GLN 31 HA GLN 31 21.339 4.038 -3.825 248 HB2 GLN 31 2HB GLN 31 20.017 3.557 -1.156 249 HB3 GLN 31 1HB GLN 31 21.553 4.399 -1.301 250 HG2 GLN 31 2HG GLN 31 20.487 6.063 -2.754 251 HG3 GLN 31 1HG GLN 31 18.947 5.232 -2.550 252 HE21 GLN 31 1HE2 GLN 31 19.500 4.598 0.253 253 HE22 GLN 31 2HE2 GLN 31 19.277 6.072 1.125 254 H LYS 32 H LYS 32 20.612 0.929 -2.436 255 HA LYS 32 HA LYS 32 23.263 0.394 -1.506 256 HB2 LYS 32 2HB LYS 32 22.458 -1.646 -0.802 257 HB3 LYS 32 1HB LYS 32 20.964 -0.722 -0.860 258 HG2 LYS 32 2HG LYS 32 20.684 -1.658 -3.221 259 HG3 LYS 32 1HG LYS 32 21.953 -2.799 -2.781 260 HD2 LYS 32 2HD LYS 32 19.366 -2.414 -1.272 261 HD3 LYS 32 1HD LYS 32 19.683 -3.709 -2.428 262 HE2 LYS 32 2HE LYS 32 21.541 -4.489 -1.016 263 HE3 LYS 32 1HE LYS 32 21.176 -3.216 0.148 264 HZ1 LYS 32 3HZ LYS 32 19.365 -5.438 -0.629 265 HZ2 LYS 32 1HZ LYS 32 18.980 -4.200 0.459 266 HZ3 LYS 32 2HZ LYS 32 20.206 -5.304 0.833 267 H LEU 33 H LEU 33 21.625 0.199 -4.525 268 HA LEU 33 HA LEU 33 23.494 -1.624 -5.757 269 HB2 LEU 33 2HB LEU 33 21.593 0.170 -7.235 270 HB3 LEU 33 1HB LEU 33 22.210 -1.399 -7.717 271 HG LEU 33 HG LEU 33 20.209 -0.886 -5.520 272 HD11 LEU 33 1HD1 LEU 33 18.633 -2.015 -7.022 273 HD12 LEU 33 2HD1 LEU 33 19.882 -2.085 -8.266 274 HD13 LEU 33 3HD1 LEU 33 19.265 -0.524 -7.724 275 HD21 LEU 33 3HD2 LEU 33 21.294 -3.478 -6.621 276 HD22 LEU 33 1HD2 LEU 33 19.980 -3.327 -5.455 277 HD23 LEU 33 2HD2 LEU 33 21.610 -2.815 -5.017 278 H TYR 34 H TYR 34 22.607 1.769 -6.371 279 HA TYR 34 HA TYR 34 24.961 2.269 -7.911 280 HB2 TYR 34 2HB TYR 34 22.979 4.229 -6.736 281 HB3 TYR 34 1HB TYR 34 24.164 4.582 -7.989 282 HD1 TYR 34 1HD TYR 34 23.844 3.784 -10.265 283 HD2 TYR 34 2HD TYR 34 20.959 2.968 -7.241 284 HE1 TYR 34 1HE TYR 34 22.217 3.145 -11.996 285 HE2 TYR 34 2HE TYR 34 19.327 2.328 -8.965 286 HH TYR 34 HH TYR 34 18.909 2.735 -11.350 Start of MODEL 10 1 H1 MET 1 1HT MET 1 -28.573 -3.467 -2.745 2 H2 MET 1 2HT MET 1 -28.019 -3.493 -4.343 3 H3 MET 1 3HT MET 1 -28.897 -2.164 -3.775 4 HA MET 1 HA MET 1 -26.582 -1.603 -3.897 5 HB2 MET 1 2HB MET 1 -27.486 -2.003 -1.038 6 HB3 MET 1 1HB MET 1 -26.235 -0.892 -1.573 7 HG2 MET 1 2HG MET 1 -28.106 0.449 -1.255 8 HG3 MET 1 1HG MET 1 -28.044 0.196 -2.998 9 HE1 MET 1 2HE MET 1 -30.965 -1.979 -0.161 10 HE2 MET 1 3HE MET 1 -29.836 -0.729 0.364 11 HE3 MET 1 1HE MET 1 -29.230 -2.293 -0.183 12 H ALA 2 H ALA 2 -24.572 -1.842 -2.245 13 HA ALA 2 HA ALA 2 -23.978 -4.530 -1.472 14 HB1 ALA 2 1HB ALA 2 -22.143 -4.908 -3.043 15 HB2 ALA 2 2HB ALA 2 -22.545 -3.406 -3.877 16 HB3 ALA 2 3HB ALA 2 -23.686 -4.752 -3.886 17 H GLU 3 H GLU 3 -21.435 -4.627 -1.117 18 HA GLU 3 HA GLU 3 -19.776 -3.975 0.288 19 HB2 GLU 3 2HB GLU 3 -19.326 -2.620 -1.772 20 HB3 GLU 3 1HB GLU 3 -20.168 -1.278 -1.008 21 HG2 GLU 3 2HG GLU 3 -18.532 -1.252 0.788 22 HG3 GLU 3 1HG GLU 3 -17.702 -2.628 0.062 23 H MET 4 H MET 4 -20.839 -0.675 0.394 24 HA MET 4 HA MET 4 -21.231 0.642 2.234 25 HB2 MET 4 2HB MET 4 -23.431 -1.418 2.370 26 HB3 MET 4 1HB MET 4 -23.419 0.054 3.330 27 HG2 MET 4 2HG MET 4 -23.352 1.368 1.238 28 HG3 MET 4 1HG MET 4 -23.493 -0.135 0.330 29 HE1 MET 4 3HE MET 4 -25.478 -1.794 2.225 30 HE2 MET 4 1HE MET 4 -25.616 -1.746 0.468 31 HE3 MET 4 2HE MET 4 -27.027 -1.414 1.473 32 H GLY 5 H GLY 5 -19.240 -0.035 3.317 33 HA2 GLY 5 2HA GLY 5 -19.813 -0.957 5.986 34 HA3 GLY 5 1HA GLY 5 -18.834 -2.082 5.058 35 H SER 6 H SER 6 -18.545 1.311 4.456 36 HA SER 6 HA SER 6 -16.776 2.726 4.605 37 HB2 SER 6 2HB SER 6 -16.361 1.513 7.339 38 HB3 SER 6 1HB SER 6 -15.967 3.145 6.808 39 HG SER 6 HG SER 6 -18.308 2.167 7.752 40 H LYS 7 H LYS 7 -16.287 -0.116 3.706 41 HA LYS 7 HA LYS 7 -13.572 -0.658 4.532 42 HB2 LYS 7 2HB LYS 7 -15.251 -1.966 2.384 43 HB3 LYS 7 1HB LYS 7 -13.709 -2.560 2.986 44 HG2 LYS 7 2HG LYS 7 -16.162 -2.222 4.695 45 HG3 LYS 7 1HG LYS 7 -15.707 -3.730 3.901 46 HD2 LYS 7 2HD LYS 7 -13.941 -2.244 5.843 47 HD3 LYS 7 1HD LYS 7 -15.013 -3.568 6.298 48 HE2 LYS 7 2HE LYS 7 -13.824 -5.032 4.701 49 HE3 LYS 7 1HE LYS 7 -12.718 -3.707 4.346 50 HZ1 LYS 7 3HZ LYS 7 -12.032 -3.712 6.667 51 HZ2 LYS 7 1HZ LYS 7 -11.772 -5.227 5.959 52 HZ3 LYS 7 2HZ LYS 7 -13.085 -4.993 6.998 53 H GLY 8 H GLY 8 -15.178 0.203 1.467 54 HA2 GLY 8 2HA GLY 8 -12.722 0.533 0.048 55 HA3 GLY 8 1HA GLY 8 -14.315 1.016 -0.507 56 H VAL 9 H VAL 9 -14.921 2.793 1.654 57 HA VAL 9 HA VAL 9 -13.643 5.129 0.657 58 HB VAL 9 HB VAL 9 -14.942 6.354 2.311 59 HG11 VAL 9 1HG1 VAL 9 -16.520 4.151 0.991 60 HG12 VAL 9 2HG1 VAL 9 -16.037 5.675 0.248 61 HG13 VAL 9 3HG1 VAL 9 -17.180 5.672 1.590 62 HG21 VAL 9 3HG2 VAL 9 -15.702 3.637 3.377 63 HG22 VAL 9 1HG2 VAL 9 -16.420 5.169 3.878 64 HG23 VAL 9 2HG2 VAL 9 -14.717 4.845 4.201 65 H THR 10 H THR 10 -13.142 3.102 3.468 66 HA THR 10 HA THR 10 -11.330 5.006 4.697 67 HB THR 10 HB THR 10 -12.065 2.189 5.514 68 HG1 THR 10 1HG THR 10 -13.215 3.393 7.175 69 HG21 THR 10 3HG2 THR 10 -9.845 2.781 6.342 70 HG22 THR 10 1HG2 THR 10 -11.011 2.752 7.665 71 HG23 THR 10 2HG2 THR 10 -10.478 4.293 6.993 72 H ALA 11 H ALA 11 -11.003 1.586 3.715 73 HA ALA 11 HA ALA 11 -8.202 1.547 3.780 74 HB1 ALA 11 1HB ALA 11 -9.605 -0.471 3.795 75 HB2 ALA 11 2HB ALA 11 -8.356 -0.536 2.551 76 HB3 ALA 11 3HB ALA 11 -10.023 -0.177 2.107 77 H GLY 12 H GLY 12 -10.274 3.083 1.600 78 HA2 GLY 12 2HA GLY 12 -8.762 2.821 -0.796 79 HA3 GLY 12 1HA GLY 12 -9.983 4.041 -0.471 80 H LYS 13 H LYS 13 -9.045 5.554 1.481 81 HA LYS 13 HA LYS 13 -7.021 7.081 0.237 82 HB2 LYS 13 2HB LYS 13 -7.037 8.399 2.382 83 HB3 LYS 13 1HB LYS 13 -8.595 8.243 1.584 84 HG2 LYS 13 2HG LYS 13 -9.150 7.886 3.782 85 HG3 LYS 13 1HG LYS 13 -8.930 6.236 3.204 86 HD2 LYS 13 2HD LYS 13 -7.842 6.445 5.328 87 HD3 LYS 13 1HD LYS 13 -6.601 6.304 4.084 88 HE2 LYS 13 2HE LYS 13 -6.007 8.020 5.702 89 HE3 LYS 13 1HE LYS 13 -6.296 8.733 4.116 90 HZ1 LYS 13 3HZ LYS 13 -8.233 8.695 6.368 91 HZ2 LYS 13 1HZ LYS 13 -8.498 9.392 4.849 92 HZ3 LYS 13 2HZ LYS 13 -7.319 10.031 5.879 93 H ILE 14 H ILE 14 -6.897 4.436 2.413 94 HA ILE 14 HA ILE 14 -4.365 4.952 3.597 95 HB ILE 14 HB ILE 14 -5.803 2.326 3.164 96 HG12 ILE 14 2HG1 ILE 14 -7.078 3.880 4.544 97 HG13 ILE 14 1HG1 ILE 14 -6.437 2.577 5.542 98 HG21 ILE 14 1HG2 ILE 14 -4.340 1.471 4.964 99 HG22 ILE 14 2HG2 ILE 14 -3.433 2.982 4.909 100 HG23 ILE 14 3HG2 ILE 14 -3.451 1.913 3.507 101 HD11 ILE 14 3HD1 ILE 14 -4.661 4.044 6.322 102 HD12 ILE 14 1HD1 ILE 14 -6.251 4.736 6.645 103 HD13 ILE 14 2HD1 ILE 14 -5.280 5.342 5.302 104 H ALA 15 H ALA 15 -5.392 3.087 0.773 105 HA ALA 15 HA ALA 15 -2.962 1.960 0.050 106 HB1 ALA 15 1HB ALA 15 -3.862 1.800 -2.212 107 HB2 ALA 15 2HB ALA 15 -5.127 2.956 -1.798 108 HB3 ALA 15 3HB ALA 15 -5.085 1.376 -1.015 109 H SER 16 H SER 16 -4.328 5.059 -1.008 110 HA SER 16 HA SER 16 -2.136 5.873 -2.554 111 HB2 SER 16 2HB SER 16 -4.339 6.948 -2.718 112 HB3 SER 16 1HB SER 16 -4.159 7.583 -1.083 113 HG SER 16 HG SER 16 -2.021 8.232 -2.587 114 H ASN 17 H ASN 17 -2.815 6.139 0.867 115 HA ASN 17 HA ASN 17 -0.765 7.991 1.503 116 HB2 ASN 17 2HB ASN 17 -2.495 6.122 3.058 117 HB3 ASN 17 1HB ASN 17 -1.137 6.895 3.860 118 HD21 ASN 17 1HD2 ASN 17 -3.993 7.206 4.316 119 HD22 ASN 17 2HD2 ASN 17 -4.337 8.884 4.096 120 H VAL 18 H VAL 18 -0.938 4.451 1.771 121 HA VAL 18 HA VAL 18 1.680 4.127 2.774 122 HB VAL 18 HB VAL 18 1.434 1.761 2.203 123 HG11 VAL 18 1HG1 VAL 18 -0.544 1.288 3.569 124 HG12 VAL 18 2HG1 VAL 18 -1.053 2.968 3.402 125 HG13 VAL 18 3HG1 VAL 18 0.435 2.580 4.263 126 HG21 VAL 18 3HG2 VAL 18 -0.566 0.927 1.108 127 HG22 VAL 18 1HG2 VAL 18 0.298 2.043 0.050 128 HG23 VAL 18 2HG2 VAL 18 -1.155 2.576 0.896 129 H GLN 19 H GLN 19 0.414 4.552 -0.411 130 HA GLN 19 HA GLN 19 2.296 3.338 -2.012 131 HB2 GLN 19 2HB GLN 19 0.090 4.825 -2.439 132 HB3 GLN 19 1HB GLN 19 1.329 5.977 -2.911 133 HG2 GLN 19 2HG GLN 19 1.395 3.201 -3.990 134 HG3 GLN 19 1HG GLN 19 0.283 4.384 -4.672 135 HE21 GLN 19 1HE2 GLN 19 1.328 4.369 -6.653 136 HE22 GLN 19 2HE2 GLN 19 2.869 5.112 -6.893 137 H LYS 20 H LYS 20 2.448 6.729 -0.793 138 HA LYS 20 HA LYS 20 4.848 7.301 -2.112 139 HB2 LYS 20 2HB LYS 20 4.734 9.365 -1.211 140 HB3 LYS 20 1HB LYS 20 3.106 8.851 -0.802 141 HG2 LYS 20 2HG LYS 20 5.493 8.728 1.030 142 HG3 LYS 20 1HG LYS 20 4.208 9.941 1.075 143 HD2 LYS 20 2HD LYS 20 2.615 8.401 1.773 144 HD3 LYS 20 1HD LYS 20 3.583 7.030 1.228 145 HE2 LYS 20 2HE LYS 20 3.584 7.164 3.660 146 HE3 LYS 20 1HE LYS 20 5.199 7.472 3.023 147 HZ1 LYS 20 3HZ LYS 20 4.811 9.844 3.302 148 HZ2 LYS 20 1HZ LYS 20 4.633 9.029 4.774 149 HZ3 LYS 20 2HZ LYS 20 3.266 9.541 3.921 150 H LYS 21 H LYS 21 4.232 5.561 0.791 151 HA LYS 21 HA LYS 21 6.853 5.795 1.882 152 HB2 LYS 21 2HB LYS 21 5.559 5.086 3.581 153 HB3 LYS 21 1HB LYS 21 4.385 4.344 2.507 154 HG2 LYS 21 2HG LYS 21 6.978 2.951 2.816 155 HG3 LYS 21 1HG LYS 21 5.889 2.952 4.206 156 HD2 LYS 21 2HD LYS 21 4.797 2.290 1.513 157 HD3 LYS 21 1HD LYS 21 5.736 1.071 2.377 158 HE2 LYS 21 2HE LYS 21 3.165 1.138 2.675 159 HE3 LYS 21 1HE LYS 21 4.189 0.910 4.092 160 HZ1 LYS 21 3HZ LYS 21 3.924 3.200 4.665 161 HZ2 LYS 21 1HZ LYS 21 2.384 2.549 4.408 162 HZ3 LYS 21 2HZ LYS 21 3.097 3.532 3.230 163 H LEU 22 H LEU 22 5.206 3.386 -0.133 164 HA LEU 22 HA LEU 22 7.441 1.646 -0.358 165 HB2 LEU 22 2HB LEU 22 5.051 2.023 -2.172 166 HB3 LEU 22 1HB LEU 22 6.217 0.723 -2.326 167 HG LEU 22 HG LEU 22 4.422 1.172 0.054 168 HD11 LEU 22 1HD1 LEU 22 4.267 -0.862 -2.164 169 HD12 LEU 22 2HD1 LEU 22 3.161 0.487 -1.909 170 HD13 LEU 22 3HD1 LEU 22 3.242 -0.823 -0.730 171 HD21 LEU 22 3HD2 LEU 22 6.326 -1.071 -0.618 172 HD22 LEU 22 1HD2 LEU 22 5.187 -1.070 0.731 173 HD23 LEU 22 2HD2 LEU 22 6.504 0.103 0.686 174 H THR 23 H THR 23 6.391 4.527 -1.925 175 HA THR 23 HA THR 23 8.005 4.400 -4.245 176 HB THR 23 HB THR 23 6.360 6.441 -2.871 177 HG1 THR 23 1HG THR 23 5.489 5.341 -4.602 178 HG21 THR 23 3HG2 THR 23 8.567 7.240 -4.768 179 HG22 THR 23 1HG2 THR 23 8.382 7.741 -3.087 180 HG23 THR 23 2HG2 THR 23 7.214 8.270 -4.297 181 H ARG 24 H ARG 24 8.449 5.967 -1.079 182 HA ARG 24 HA ARG 24 11.029 6.991 -1.679 183 HB2 ARG 24 2HB ARG 24 9.583 6.468 0.916 184 HB3 ARG 24 1HB ARG 24 11.213 7.124 0.870 185 HG2 ARG 24 2HG ARG 24 10.360 9.007 -0.501 186 HG3 ARG 24 1HG ARG 24 8.728 8.372 -0.282 187 HD2 ARG 24 2HD ARG 24 8.885 8.666 2.105 188 HD3 ARG 24 1HD ARG 24 10.575 9.148 1.971 189 HE ARG 24 HE ARG 24 8.672 10.789 0.525 190 HH11 ARG 24 1HH1 ARG 24 10.530 10.326 3.437 191 HH12 ARG 24 2HH1 ARG 24 10.450 11.992 3.905 192 HH21 ARG 24 1HH2 ARG 24 8.562 12.984 1.134 193 HH22 ARG 24 2HH2 ARG 24 9.330 13.501 2.599 194 H ALA 25 H ALA 25 9.815 3.983 -0.401 195 HA ALA 25 HA ALA 25 12.173 2.885 0.614 196 HB1 ALA 25 1HB ALA 25 11.071 0.716 0.352 197 HB2 ALA 25 2HB ALA 25 9.840 1.463 -0.667 198 HB3 ALA 25 3HB ALA 25 9.974 1.918 1.032 199 H GLN 26 H GLN 26 10.807 2.787 -2.662 200 HA GLN 26 HA GLN 26 12.665 1.048 -3.813 201 HB2 GLN 26 2HB GLN 26 11.126 3.342 -5.032 202 HB3 GLN 26 1HB GLN 26 12.069 2.195 -5.972 203 HG2 GLN 26 2HG GLN 26 10.655 0.373 -5.010 204 HG3 GLN 26 1HG GLN 26 9.640 1.624 -4.297 205 HE21 GLN 26 1HE2 GLN 26 9.987 3.418 -6.587 206 HE22 GLN 26 2HE2 GLN 26 9.005 2.769 -7.850 207 H GLU 27 H GLU 27 12.728 4.582 -3.501 208 HA GLU 27 HA GLU 27 15.201 4.934 -4.828 209 HB2 GLU 27 2HB GLU 27 13.967 6.706 -2.712 210 HB3 GLU 27 1HB GLU 27 15.216 7.164 -3.863 211 HG2 GLU 27 2HG GLU 27 13.635 6.800 -5.702 212 HG3 GLU 27 1HG GLU 27 12.384 6.393 -4.528 213 H LYS 28 H LYS 28 14.345 4.059 -1.576 214 HA LYS 28 HA LYS 28 16.918 4.591 -0.454 215 HB2 LYS 28 2HB LYS 28 14.655 4.411 0.760 216 HB3 LYS 28 1HB LYS 28 14.955 2.675 0.734 217 HG2 LYS 28 2HG LYS 28 17.207 3.204 1.780 218 HG3 LYS 28 1HG LYS 28 16.566 4.822 2.069 219 HD2 LYS 28 2HD LYS 28 15.168 2.324 2.970 220 HD3 LYS 28 1HD LYS 28 16.341 3.180 3.972 221 HE2 LYS 28 2HE LYS 28 14.954 5.216 3.789 222 HE3 LYS 28 1HE LYS 28 13.766 4.297 2.867 223 HZ1 LYS 28 3HZ LYS 28 13.131 4.459 5.182 224 HZ2 LYS 28 1HZ LYS 28 14.590 3.752 5.668 225 HZ3 LYS 28 2HZ LYS 28 13.465 2.849 4.785 226 H VAL 29 H VAL 29 15.301 1.656 -1.643 227 HA VAL 29 HA VAL 29 17.297 -0.143 -0.828 228 HB VAL 29 HB VAL 29 16.369 -1.729 -2.448 229 HG11 VAL 29 1HG1 VAL 29 14.291 -0.165 -0.924 230 HG12 VAL 29 2HG1 VAL 29 15.280 -1.486 -0.300 231 HG13 VAL 29 3HG1 VAL 29 14.080 -1.799 -1.554 232 HG21 VAL 29 3HG2 VAL 29 15.942 -0.068 -4.250 233 HG22 VAL 29 1HG2 VAL 29 14.548 0.500 -3.332 234 HG23 VAL 29 2HG2 VAL 29 14.587 -1.154 -3.942 235 H LEU 30 H LEU 30 16.941 1.733 -3.822 236 HA LEU 30 HA LEU 30 19.055 0.486 -5.199 237 HB2 LEU 30 2HB LEU 30 19.026 2.328 -6.717 238 HB3 LEU 30 1HB LEU 30 17.374 1.944 -6.284 239 HG LEU 30 HG LEU 30 17.710 3.868 -4.530 240 HD11 LEU 30 1HD1 LEU 30 20.097 4.173 -5.010 241 HD12 LEU 30 2HD1 LEU 30 19.167 5.636 -5.331 242 HD13 LEU 30 3HD1 LEU 30 19.695 4.614 -6.669 243 HD21 LEU 30 3HD2 LEU 30 17.381 4.540 -7.443 244 HD22 LEU 30 1HD2 LEU 30 16.698 5.389 -6.054 245 HD23 LEU 30 2HD2 LEU 30 16.129 3.770 -6.468 246 H GLN 31 H GLN 31 18.969 2.997 -2.780 247 HA GLN 31 HA GLN 31 21.587 3.976 -3.077 248 HB2 GLN 31 2HB GLN 31 19.770 3.817 -0.667 249 HB3 GLN 31 1HB GLN 31 21.346 4.597 -0.624 250 HG2 GLN 31 2HG GLN 31 20.608 6.128 -2.404 251 HG3 GLN 31 1HG GLN 31 19.014 5.378 -2.356 252 HE21 GLN 31 1HE2 GLN 31 19.125 5.030 0.553 253 HE22 GLN 31 2HE2 GLN 31 18.847 6.596 1.227 254 H LYS 32 H LYS 32 20.305 1.100 -1.635 255 HA LYS 32 HA LYS 32 22.612 0.401 -0.111 256 HB2 LYS 32 2HB LYS 32 20.400 -1.379 -1.158 257 HB3 LYS 32 1HB LYS 32 21.537 -1.783 0.120 258 HG2 LYS 32 2HG LYS 32 20.592 -0.169 1.586 259 HG3 LYS 32 1HG LYS 32 19.612 0.521 0.290 260 HD2 LYS 32 2HD LYS 32 18.311 -1.514 0.142 261 HD3 LYS 32 1HD LYS 32 19.342 -2.294 1.343 262 HE2 LYS 32 2HE LYS 32 18.635 -0.654 3.015 263 HE3 LYS 32 1HE LYS 32 17.610 0.131 1.813 264 HZ1 LYS 32 3HZ LYS 32 16.318 -1.903 1.638 265 HZ2 LYS 32 1HZ LYS 32 16.340 -1.351 3.238 266 HZ3 LYS 32 2HZ LYS 32 17.307 -2.662 2.781 267 H LEU 33 H LEU 33 21.583 -0.033 -3.400 268 HA LEU 33 HA LEU 33 23.575 -2.028 -4.023 269 HB2 LEU 33 2HB LEU 33 22.144 -0.417 -6.096 270 HB3 LEU 33 1HB LEU 33 22.661 -2.090 -6.160 271 HG LEU 33 HG LEU 33 20.330 -1.008 -4.579 272 HD11 LEU 33 1HD1 LEU 33 18.981 -2.324 -6.148 273 HD12 LEU 33 2HD1 LEU 33 20.443 -2.731 -7.049 274 HD13 LEU 33 3HD1 LEU 33 19.897 -1.056 -6.962 275 HD21 LEU 33 3HD2 LEU 33 21.366 -3.826 -4.876 276 HD22 LEU 33 1HD2 LEU 33 19.829 -3.383 -4.133 277 HD23 LEU 33 2HD2 LEU 33 21.344 -2.861 -3.400 278 H TYR 34 H TYR 34 22.958 1.205 -5.376 279 HA TYR 34 HA TYR 34 25.544 1.507 -6.453 280 HB2 TYR 34 2HB TYR 34 23.524 3.647 -5.744 281 HB3 TYR 34 1HB TYR 34 24.907 3.851 -6.814 282 HD1 TYR 34 1HD TYR 34 24.947 2.705 -9.013 283 HD2 TYR 34 2HD TYR 34 21.499 2.626 -6.515 284 HE1 TYR 34 1HE TYR 34 23.578 2.002 -10.930 285 HE2 TYR 34 2HE TYR 34 20.124 1.923 -8.428 286 HH TYR 34 HH TYR 34 21.456 0.834 -11.351
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