NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8474 | 1m9o | 5525 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 4 HT1 MET 4 66.234 -23.888 -7.660 2 HA MET 4 HA MET 4 67.334 -22.018 -9.566 3 1HB MET 4 HB2 MET 4 65.417 -24.033 -9.483 4 2HB MET 4 HB1 MET 4 64.470 -22.552 -9.519 5 1HG MET 4 HG2 MET 4 65.226 -21.954 -11.601 6 2HG MET 4 HG1 MET 4 66.710 -22.893 -11.449 7 1HE MET 4 HE1 MET 4 62.744 -25.145 -11.615 8 2HE MET 4 HE2 MET 4 62.644 -23.434 -12.038 9 3HE MET 4 HE3 MET 4 63.247 -23.918 -10.453 10 H THR 5 HN THR 5 64.576 -22.068 -7.290 11 HA THR 5 HA THR 5 63.446 -20.394 -6.237 12 HB THR 5 HB THR 5 65.765 -18.540 -6.367 13 HG1 THR 5 HG1 THR 5 65.850 -21.076 -5.113 14 1HG2 THR 5 1HG2 THR 5 65.069 -19.239 -3.730 15 2HG2 THR 5 2HG2 THR 5 63.568 -19.004 -4.624 16 3HG2 THR 5 3HG2 THR 5 64.776 -17.720 -4.575 17 H THR 6 HN THR 6 63.450 -17.659 -6.402 18 HA THR 6 HA THR 6 61.997 -17.148 -8.716 19 HB THR 6 HB THR 6 62.282 -14.738 -8.135 20 HG1 THR 6 HG1 THR 6 64.150 -15.830 -6.329 21 1HG2 THR 6 1HG2 THR 6 61.235 -16.762 -6.341 22 2HG2 THR 6 2HG2 THR 6 60.552 -15.212 -6.830 23 3HG2 THR 6 3HG2 THR 6 61.716 -15.284 -5.508 24 H SER 7 HN SER 7 62.446 -16.161 -10.664 25 HA SER 7 HA SER 7 65.291 -16.128 -11.407 26 1HB SER 7 HB2 SER 7 63.040 -17.270 -12.652 27 2HB SER 7 HB1 SER 7 63.491 -15.895 -13.659 28 HG SER 7 HG SER 7 65.732 -16.859 -13.358 29 H SER 8 HN SER 8 64.515 -13.951 -9.985 30 HA SER 8 HA SER 8 65.226 -11.811 -11.640 31 1HB SER 8 HB2 SER 8 62.674 -12.359 -12.192 32 2HB SER 8 HB1 SER 8 62.414 -11.361 -10.760 33 HG SER 8 HG SER 8 63.869 -10.626 -13.084 34 H ARG 9 HN ARG 9 62.841 -11.987 -8.995 35 HA ARG 9 HA ARG 9 62.855 -11.166 -6.872 36 1HB ARG 9 HB2 ARG 9 64.798 -12.704 -6.666 37 2HB ARG 9 HB1 ARG 9 65.862 -11.388 -7.137 38 1HG ARG 9 HG2 ARG 9 66.074 -10.919 -4.983 39 2HG ARG 9 HG1 ARG 9 64.403 -10.363 -5.009 40 1HD ARG 9 HD2 ARG 9 64.734 -11.967 -3.219 41 2HD ARG 9 HD1 ARG 9 63.649 -12.624 -4.441 42 HE ARG 9 HE ARG 9 65.303 -14.143 -5.078 43 1HH1 ARG 9 1HH1 ARG 9 66.435 -12.036 -2.527 44 2HH1 ARG 9 2HH1 ARG 9 67.787 -13.040 -2.134 45 1HH2 ARG 9 1HH2 ARG 9 67.084 -15.451 -4.564 46 2HH2 ARG 9 2HH2 ARG 9 68.157 -14.976 -3.289 47 H TYR 10 HN TYR 10 63.100 -9.275 -5.676 48 HA TYR 10 HA TYR 10 63.210 -6.915 -7.183 49 1HB TYR 10 HB2 TYR 10 62.834 -7.698 -4.364 50 2HB TYR 10 HB1 TYR 10 63.369 -6.049 -4.635 51 HD1 TYR 10 HD1 TYR 10 61.608 -4.535 -4.582 52 HD2 TYR 10 HD2 TYR 10 61.020 -8.376 -6.315 53 HE1 TYR 10 HE1 TYR 10 59.315 -3.898 -5.186 54 HE2 TYR 10 HE2 TYR 10 58.713 -7.753 -6.921 55 HH TYR 10 HH TYR 10 56.991 -6.162 -6.218 56 H LYS 11 HN LYS 11 64.595 -5.147 -5.551 57 HA LYS 11 HA LYS 11 67.149 -5.309 -6.670 58 1HB LYS 11 HB2 LYS 11 66.451 -3.518 -4.374 59 2HB LYS 11 HB1 LYS 11 67.538 -3.206 -5.717 60 1HG LYS 11 HG2 LYS 11 65.130 -3.628 -6.972 61 2HG LYS 11 HG1 LYS 11 64.668 -2.770 -5.492 62 1HD LYS 11 HD2 LYS 11 65.077 -1.037 -6.975 63 2HD LYS 11 HD1 LYS 11 66.614 -1.171 -6.115 64 1HE LYS 11 HE2 LYS 11 66.348 -2.862 -8.504 65 2HE LYS 11 HE1 LYS 11 66.364 -1.125 -8.808 66 1HZ LYS 11 HZ1 LYS 11 68.383 -1.878 -6.943 67 2HZ LYS 11 HZ2 LYS 11 68.534 -1.041 -8.404 68 3HZ LYS 11 HZ3 LYS 11 68.548 -2.732 -8.394 69 H THR 12 HN THR 12 68.852 -4.420 -4.736 70 HA THR 12 HA THR 12 69.100 -6.758 -2.961 71 HB THR 12 HB THR 12 70.757 -6.925 -4.636 72 HG1 THR 12 HG1 THR 12 71.528 -7.301 -2.542 73 1HG2 THR 12 1HG2 THR 12 70.732 -4.620 -5.460 74 2HG2 THR 12 2HG2 THR 12 72.367 -5.209 -5.163 75 3HG2 THR 12 3HG2 THR 12 71.603 -4.109 -4.016 76 H GLU 13 HN GLU 13 68.465 -3.543 -2.876 77 HA GLU 13 HA GLU 13 70.191 -2.797 -0.759 78 1HB GLU 13 HB2 GLU 13 68.225 -1.511 -2.485 79 2HB GLU 13 HB1 GLU 13 68.274 -0.878 -0.857 80 1HG GLU 13 HG2 GLU 13 70.191 0.192 -1.202 81 2HG GLU 13 HG1 GLU 13 70.915 -1.208 -1.983 82 H LEU 14 HN LEU 14 68.762 -1.404 1.056 83 HA LEU 14 HA LEU 14 66.520 -2.880 2.063 84 1HB LEU 14 HB2 LEU 14 67.758 -3.251 4.314 85 2HB LEU 14 HB1 LEU 14 67.903 -4.428 3.026 86 HG LEU 14 HG LEU 14 69.987 -3.658 4.421 87 1HD1 LEU 14 1HD1 LEU 14 70.114 -3.971 1.436 88 2HD1 LEU 14 2HD1 LEU 14 69.994 -5.281 2.608 89 3HD1 LEU 14 3HD1 LEU 14 71.423 -4.251 2.580 90 1HD2 LEU 14 1HD2 LEU 14 70.112 -1.636 2.211 91 2HD2 LEU 14 2HD2 LEU 14 71.215 -1.848 3.562 92 3HD2 LEU 14 3HD2 LEU 14 69.585 -1.248 3.841 93 H CYS 15 HN CYS 15 65.434 -1.843 3.749 94 HA CYS 15 HA CYS 15 65.855 0.944 3.904 95 1HB CYS 15 HB2 CYS 15 63.595 -0.209 3.967 96 2HB CYS 15 HB1 CYS 15 63.980 -0.727 5.605 97 H ARG 16 HN ARG 16 67.978 1.153 4.818 98 HA ARG 16 HA ARG 16 68.598 -0.047 7.324 99 1HB ARG 16 HB2 ARG 16 69.995 1.638 5.303 100 2HB ARG 16 HB1 ARG 16 70.572 1.746 6.961 101 1HG ARG 16 HG2 ARG 16 70.779 -0.724 7.012 102 2HG ARG 16 HG1 ARG 16 70.376 -0.735 5.299 103 1HD ARG 16 HD2 ARG 16 72.588 -0.589 4.987 104 2HD ARG 16 HD1 ARG 16 72.366 1.114 5.373 105 HE ARG 16 HE ARG 16 73.010 0.587 7.657 106 1HH1 ARG 16 1HH1 ARG 16 73.750 -1.824 5.232 107 2HH1 ARG 16 2HH1 ARG 16 75.008 -2.549 6.168 108 1HH2 ARG 16 1HH2 ARG 16 74.656 -0.381 8.882 109 2HH2 ARG 16 2HH2 ARG 16 75.522 -1.734 8.237 110 H THR 17 HN THR 17 69.584 3.243 7.004 111 HA THR 17 HA THR 17 68.530 3.930 9.539 112 HB THR 17 HB THR 17 70.645 4.867 8.723 113 HG1 THR 17 HG1 THR 17 68.764 6.966 8.962 114 1HG2 THR 17 1HG2 THR 17 70.523 6.770 7.085 115 2HG2 THR 17 2HG2 THR 17 68.925 6.173 6.641 116 3HG2 THR 17 3HG2 THR 17 70.344 5.152 6.407 117 H TYR 18 HN TYR 18 67.435 4.082 6.351 118 HA TYR 18 HA TYR 18 65.730 6.208 6.171 119 1HB TYR 18 HB2 TYR 18 65.715 3.410 5.093 120 2HB TYR 18 HB1 TYR 18 64.517 4.588 4.606 121 HD1 TYR 18 HD1 TYR 18 65.020 4.954 2.369 122 HD2 TYR 18 HD2 TYR 18 68.160 5.147 5.206 123 HE1 TYR 18 HE1 TYR 18 66.499 5.893 0.660 124 HE2 TYR 18 HE2 TYR 18 69.666 6.038 3.499 125 HH TYR 18 HH TYR 18 69.577 5.835 0.667 126 H SER 19 HN SER 19 65.040 2.929 7.361 127 HA SER 19 HA SER 19 62.357 3.075 7.820 128 1HB SER 19 HB2 SER 19 63.773 1.662 9.955 129 2HB SER 19 HB1 SER 19 62.627 1.051 8.764 130 HG SER 19 HG SER 19 65.039 0.439 8.728 131 H GLU 20 HN GLU 20 64.677 4.951 9.392 132 HA GLU 20 HA GLU 20 63.014 5.375 11.748 133 1HB GLU 20 HB2 GLU 20 65.797 5.349 11.332 134 2HB GLU 20 HB1 GLU 20 65.373 7.021 11.691 135 1HG GLU 20 HG2 GLU 20 63.917 5.717 13.542 136 2HG GLU 20 HG1 GLU 20 65.317 4.646 13.399 137 H SER 21 HN SER 21 62.170 6.201 9.184 138 HA SER 21 HA SER 21 61.010 7.935 8.260 139 1HB SER 21 HB2 SER 21 61.146 8.590 11.000 140 2HB SER 21 HB1 SER 21 61.540 10.067 10.124 141 HG SER 21 HG SER 21 59.339 9.996 10.297 142 H GLY 22 HN GLY 22 64.116 7.641 8.225 143 1HA GLY 22 HA2 GLY 22 65.234 10.156 7.834 144 2HA GLY 22 HA1 GLY 22 65.867 8.664 7.167 145 H ARG 23 HN ARG 23 65.214 8.023 5.129 146 HA ARG 23 HA ARG 23 64.137 10.176 3.452 147 1HB ARG 23 HB2 ARG 23 66.537 9.524 3.121 148 2HB ARG 23 HB1 ARG 23 65.950 7.966 2.591 149 1HG ARG 23 HG2 ARG 23 64.657 10.109 1.165 150 2HG ARG 23 HG1 ARG 23 66.413 10.183 1.014 151 1HD ARG 23 HD2 ARG 23 66.541 8.084 -0.001 152 2HD ARG 23 HD1 ARG 23 64.959 7.587 0.595 153 HE ARG 23 HE ARG 23 63.979 8.647 -1.189 154 1HH1 ARG 23 1HH1 ARG 23 67.326 9.603 -0.980 155 2HH1 ARG 23 2HH1 ARG 23 67.329 10.382 -2.527 156 1HH2 ARG 23 1HH2 ARG 23 63.976 9.664 -3.217 157 2HH2 ARG 23 2HH2 ARG 23 65.424 10.414 -3.801 158 H CYS 24 HN CYS 24 64.624 6.753 3.219 159 HA CYS 24 HA CYS 24 63.360 5.020 2.499 160 1HB CYS 24 HB2 CYS 24 61.295 6.888 3.482 161 2HB CYS 24 HB1 CYS 24 60.749 5.588 2.433 162 H ARG 25 HN ARG 25 64.336 5.267 0.473 163 HA ARG 25 HA ARG 25 63.599 6.985 -1.555 164 1HB ARG 25 HB2 ARG 25 65.654 5.703 -1.561 165 2HB ARG 25 HB1 ARG 25 64.753 4.219 -1.730 166 1HG ARG 25 HG2 ARG 25 65.391 4.519 -3.891 167 2HG ARG 25 HG1 ARG 25 63.870 5.418 -3.922 168 1HD ARG 25 HD2 ARG 25 65.002 7.497 -3.698 169 2HD ARG 25 HD1 ARG 25 66.521 6.701 -3.303 170 HE ARG 25 HE ARG 25 66.807 6.150 -5.567 171 1HH1 ARG 25 1HH1 ARG 25 63.867 7.966 -5.034 172 2HH1 ARG 25 2HH1 ARG 25 63.700 8.415 -6.696 173 1HH2 ARG 25 1HH2 ARG 25 66.580 6.742 -7.752 174 2HH2 ARG 25 2HH2 ARG 25 65.234 7.717 -8.239 175 H TYR 26 HN TYR 26 61.784 4.439 -0.333 176 HA TYR 26 HA TYR 26 59.811 4.709 -2.477 177 1HB TYR 26 HB2 TYR 26 60.766 2.096 -1.290 178 2HB TYR 26 HB1 TYR 26 59.324 2.251 -2.286 179 HD1 TYR 26 HD1 TYR 26 60.565 4.195 -4.321 180 HD2 TYR 26 HD2 TYR 26 61.934 0.545 -2.611 181 HE1 TYR 26 HE1 TYR 26 61.922 3.770 -6.328 182 HE2 TYR 26 HE2 TYR 26 63.300 0.119 -4.607 183 HH TYR 26 HH TYR 26 64.379 1.600 -6.456 184 H GLY 27 HN GLY 27 59.651 6.128 -0.233 185 1HA GLY 27 HA2 GLY 27 58.745 5.260 2.138 186 2HA GLY 27 HA1 GLY 27 58.015 6.635 1.335 187 H ALA 28 HN ALA 28 57.371 3.804 2.808 188 HA ALA 28 HA ALA 28 55.429 2.664 3.145 189 1HB ALA 28 HB1 ALA 28 53.593 3.862 2.830 190 2HB ALA 28 HB2 ALA 28 53.717 3.662 1.082 191 3HB ALA 28 HB3 ALA 28 54.539 5.003 1.877 192 H LYS 29 HN LYS 29 57.004 2.838 0.172 193 HA LYS 29 HA LYS 29 55.880 0.307 -0.671 194 1HB LYS 29 HB2 LYS 29 55.601 2.623 -2.015 195 2HB LYS 29 HB1 LYS 29 57.121 2.054 -2.690 196 1HG LYS 29 HG2 LYS 29 56.062 0.645 -3.989 197 2HG LYS 29 HG1 LYS 29 55.285 -0.101 -2.592 198 1HD LYS 29 HD2 LYS 29 54.263 2.471 -3.738 199 2HD LYS 29 HD1 LYS 29 53.778 0.918 -4.419 200 1HE LYS 29 HE2 LYS 29 53.050 0.238 -2.124 201 2HE LYS 29 HE1 LYS 29 53.367 1.888 -1.595 202 1HZ LYS 29 HZ1 LYS 29 51.788 2.196 -3.794 203 2HZ LYS 29 HZ2 LYS 29 51.275 2.293 -2.185 204 3HZ LYS 29 HZ3 LYS 29 51.126 0.837 -3.033 205 H CYS 30 HN CYS 30 58.401 1.252 0.917 206 HA CYS 30 HA CYS 30 60.516 0.478 -0.882 207 1HB CYS 30 HB2 CYS 30 62.030 0.876 0.984 208 2HB CYS 30 HB1 CYS 30 60.955 2.243 0.665 209 H GLN 31 HN GLN 31 61.534 -1.271 -1.077 210 HA GLN 31 HA GLN 31 61.198 -3.436 0.845 211 1HB GLN 31 HB2 GLN 31 60.215 -3.368 -1.796 212 2HB GLN 31 HB1 GLN 31 61.540 -4.524 -1.761 213 1HG GLN 31 HG2 GLN 31 60.461 -5.924 -0.313 214 2HG GLN 31 HG1 GLN 31 59.476 -4.627 0.364 215 1HE2 GLN 31 1HE2 GLN 31 59.416 -7.298 -1.539 216 2HE2 GLN 31 2HE2 GLN 31 57.976 -6.970 -2.454 217 H PHE 32 HN PHE 32 63.203 -1.549 -1.139 218 HA PHE 32 HA PHE 32 65.542 -2.877 -0.131 219 1HB PHE 32 HB2 PHE 32 64.861 -2.892 -3.050 220 2HB PHE 32 HB1 PHE 32 66.505 -3.100 -2.461 221 HD1 PHE 32 HD1 PHE 32 63.180 -4.568 -2.685 222 HD2 PHE 32 HD2 PHE 32 67.190 -5.117 -1.395 223 HE1 PHE 32 HE1 PHE 32 62.778 -6.996 -2.491 224 HE2 PHE 32 HE2 PHE 32 66.805 -7.542 -1.191 225 HZ PHE 32 HZ PHE 32 64.595 -8.485 -1.743 226 H ALA 33 HN ALA 33 65.406 -1.048 -3.131 227 HA ALA 33 HA ALA 33 67.468 0.578 -2.911 228 1HB ALA 33 HB1 ALA 33 64.845 1.731 -3.804 229 2HB ALA 33 HB2 ALA 33 65.752 0.557 -4.756 230 3HB ALA 33 HB3 ALA 33 66.462 2.128 -4.381 231 H HIS 34 HN HIS 34 68.219 1.515 -1.139 232 HA HIS 34 HA HIS 34 66.864 3.797 -0.032 233 1HB HIS 34 HB2 HIS 34 66.794 1.152 1.287 234 2HB HIS 34 HB1 HIS 34 67.266 2.480 2.331 235 HD1 HIS 34 HD1 HIS 34 64.536 2.986 -0.256 236 HD2 HIS 34 HD2 HIS 34 65.110 2.424 3.784 237 HE1 HIS 34 HE1 HIS 34 62.313 3.477 0.881 238 H GLY 35 HN GLY 35 68.608 3.230 2.550 239 1HA GLY 35 HA2 GLY 35 70.753 4.833 2.047 240 2HA GLY 35 HA1 GLY 35 70.675 3.624 3.341 241 H LEU 36 HN LEU 36 72.171 2.163 3.342 242 HA LEU 36 HA LEU 36 74.207 2.005 1.417 243 1HB LEU 36 HB2 LEU 36 74.017 1.270 3.966 244 2HB LEU 36 HB1 LEU 36 73.696 -0.291 3.240 245 HG LEU 36 HG LEU 36 75.972 0.717 1.926 246 1HD1 LEU 36 1HD1 LEU 36 77.509 1.119 3.774 247 2HD1 LEU 36 2HD1 LEU 36 76.174 0.997 4.920 248 3HD1 LEU 36 3HD1 LEU 36 76.217 2.321 3.754 249 1HD2 LEU 36 1HD2 LEU 36 76.478 -1.196 4.063 250 2HD2 LEU 36 2HD2 LEU 36 76.664 -1.370 2.319 251 3HD2 LEU 36 3HD2 LEU 36 75.087 -1.628 3.067 252 H GLY 37 HN GLY 37 72.212 -0.765 2.372 253 1HA GLY 37 HA2 GLY 37 71.495 -2.582 1.197 254 2HA GLY 37 HA1 GLY 37 70.999 -1.404 0.020 255 H GLU 38 HN GLU 38 73.626 -3.421 1.045 256 HA GLU 38 HA GLU 38 74.450 -3.699 -1.755 257 1HB GLU 38 HB2 GLU 38 76.450 -3.539 0.500 258 2HB GLU 38 HB1 GLU 38 76.774 -3.547 -1.227 259 1HG GLU 38 HG2 GLU 38 75.203 -1.358 -1.016 260 2HG GLU 38 HG1 GLU 38 76.022 -1.337 0.542 261 H LEU 39 HN LEU 39 72.758 -5.357 -0.290 262 HA LEU 39 HA LEU 39 73.926 -7.478 1.050 263 1HB LEU 39 HB2 LEU 39 71.516 -7.527 -0.740 264 2HB LEU 39 HB1 LEU 39 71.973 -8.835 0.331 265 HG LEU 39 HG LEU 39 71.600 -6.119 1.480 266 1HD1 LEU 39 1HD1 LEU 39 69.514 -7.728 0.184 267 2HD1 LEU 39 2HD1 LEU 39 69.534 -6.014 0.600 268 3HD1 LEU 39 3HD1 LEU 39 69.142 -7.215 1.830 269 1HD2 LEU 39 1HD2 LEU 39 71.323 -8.958 2.409 270 2HD2 LEU 39 2HD2 LEU 39 70.624 -7.617 3.317 271 3HD2 LEU 39 3HD2 LEU 39 72.364 -7.681 3.040 272 H ARG 40 HN ARG 40 73.349 -7.147 -2.363 273 HA ARG 40 HA ARG 40 74.937 -9.548 -2.908 274 1HB ARG 40 HB2 ARG 40 73.896 -9.700 -5.002 275 2HB ARG 40 HB1 ARG 40 72.614 -9.222 -3.900 276 1HG ARG 40 HG2 ARG 40 72.146 -7.568 -5.278 277 2HG ARG 40 HG1 ARG 40 73.687 -6.832 -4.841 278 1HD ARG 40 HD2 ARG 40 74.629 -8.484 -6.641 279 2HD ARG 40 HD1 ARG 40 72.965 -8.479 -7.220 280 HE ARG 40 HE ARG 40 74.302 -5.907 -6.839 281 1HH1 ARG 40 1HH1 ARG 40 73.078 -8.343 -9.031 282 2HH1 ARG 40 2HH1 ARG 40 73.099 -7.290 -10.403 283 1HH2 ARG 40 1HH2 ARG 40 74.325 -4.529 -8.656 284 2HH2 ARG 40 2HH2 ARG 40 73.808 -5.133 -10.194 285 H GLN 41 HN GLN 41 76.269 -7.235 -2.031 286 HA GLN 41 HA GLN 41 78.092 -6.873 -4.203 287 1HB GLN 41 HB2 GLN 41 76.660 -4.553 -2.918 288 2HB GLN 41 HB1 GLN 41 78.126 -4.381 -3.867 289 1HG GLN 41 HG2 GLN 41 75.850 -5.790 -5.125 290 2HG GLN 41 HG1 GLN 41 75.705 -4.053 -4.893 291 1HE2 GLN 41 1HE2 GLN 41 75.606 -4.182 -7.275 292 2HE2 GLN 41 2HE2 GLN 41 77.094 -4.118 -8.150 293 H ALA 42 HN ALA 42 77.721 -7.820 -1.254 294 HA ALA 42 HA ALA 42 80.339 -7.538 -0.446 295 1HB ALA 42 HB1 ALA 42 79.853 -6.006 1.594 296 2HB ALA 42 HB2 ALA 42 78.526 -5.411 0.596 297 3HB ALA 42 HB3 ALA 42 80.188 -5.285 0.020 298 H ASN 43 HN ASN 43 77.039 -8.243 0.289 299 HA ASN 43 HA ASN 43 77.650 -9.543 2.803 300 1HB ASN 43 HB2 ASN 43 75.363 -8.412 1.711 301 2HB ASN 43 HB1 ASN 43 75.032 -10.140 1.669 302 1HD2 ASN 43 1HD2 ASN 43 76.648 -7.916 3.916 303 2HD2 ASN 43 2HD2 ASN 43 75.781 -8.433 5.318 Start of MODEL 2 1 H MET 4 HT1 MET 4 74.719 -10.783 -8.696 2 HA MET 4 HA MET 4 77.462 -11.775 -9.032 3 1HB MET 4 HB2 MET 4 76.501 -10.996 -6.796 4 2HB MET 4 HB1 MET 4 75.406 -12.366 -6.906 5 1HG MET 4 HG2 MET 4 76.980 -13.827 -6.304 6 2HG MET 4 HG1 MET 4 78.200 -13.082 -7.332 7 1HE MET 4 HE1 MET 4 76.167 -12.440 -3.967 8 2HE MET 4 HE2 MET 4 76.229 -10.910 -4.842 9 3HE MET 4 HE3 MET 4 77.111 -11.095 -3.327 10 H THR 5 HN THR 5 74.155 -12.958 -8.421 11 HA THR 5 HA THR 5 74.619 -15.097 -10.383 12 HB THR 5 HB THR 5 73.633 -16.754 -8.900 13 HG1 THR 5 HG1 THR 5 73.445 -14.622 -7.040 14 1HG2 THR 5 1HG2 THR 5 75.377 -15.958 -6.828 15 2HG2 THR 5 2HG2 THR 5 76.121 -15.509 -8.361 16 3HG2 THR 5 3HG2 THR 5 75.632 -17.179 -8.074 17 H THR 6 HN THR 6 72.190 -13.618 -8.240 18 HA THR 6 HA THR 6 69.964 -14.412 -9.790 19 HB THR 6 HB THR 6 69.750 -13.819 -7.434 20 HG1 THR 6 HG1 THR 6 67.913 -13.539 -8.705 21 1HG2 THR 6 1HG2 THR 6 69.571 -11.093 -7.304 22 2HG2 THR 6 2HG2 THR 6 71.023 -11.344 -8.273 23 3HG2 THR 6 3HG2 THR 6 70.894 -12.074 -6.673 24 H SER 7 HN SER 7 68.410 -12.788 -10.746 25 HA SER 7 HA SER 7 69.476 -10.368 -11.841 26 1HB SER 7 HB2 SER 7 70.322 -12.481 -13.245 27 2HB SER 7 HB1 SER 7 68.741 -12.279 -14.001 28 HG SER 7 HG SER 7 70.531 -10.116 -13.663 29 H SER 8 HN SER 8 66.993 -12.880 -12.043 30 HA SER 8 HA SER 8 65.018 -10.994 -13.014 31 1HB SER 8 HB2 SER 8 64.616 -13.862 -12.142 32 2HB SER 8 HB1 SER 8 63.517 -12.882 -13.114 33 HG SER 8 HG SER 8 65.117 -14.456 -14.150 34 H ARG 9 HN ARG 9 66.159 -12.068 -9.972 35 HA ARG 9 HA ARG 9 63.778 -11.814 -8.450 36 1HB ARG 9 HB2 ARG 9 66.343 -12.688 -7.969 37 2HB ARG 9 HB1 ARG 9 66.283 -11.193 -7.047 38 1HG ARG 9 HG2 ARG 9 63.901 -12.741 -6.601 39 2HG ARG 9 HG1 ARG 9 65.337 -13.721 -6.308 40 1HD ARG 9 HD2 ARG 9 65.820 -11.199 -5.143 41 2HD ARG 9 HD1 ARG 9 64.186 -11.673 -4.682 42 HE ARG 9 HE ARG 9 66.618 -12.802 -3.735 43 1HH1 ARG 9 1HH1 ARG 9 63.302 -13.586 -4.510 44 2HH1 ARG 9 2HH1 ARG 9 63.235 -14.934 -3.423 45 1HH2 ARG 9 1HH2 ARG 9 66.525 -14.572 -2.297 46 2HH2 ARG 9 2HH2 ARG 9 65.061 -15.491 -2.165 47 H TYR 10 HN TYR 10 64.119 -10.113 -6.447 48 HA TYR 10 HA TYR 10 63.628 -7.565 -7.657 49 1HB TYR 10 HB2 TYR 10 63.450 -8.793 -4.961 50 2HB TYR 10 HB1 TYR 10 63.583 -7.049 -5.046 51 HD1 TYR 10 HD1 TYR 10 61.545 -6.003 -4.788 52 HD2 TYR 10 HD2 TYR 10 61.733 -9.639 -6.978 53 HE1 TYR 10 HE1 TYR 10 59.137 -5.835 -5.258 54 HE2 TYR 10 HE2 TYR 10 59.318 -9.485 -7.453 55 HH TYR 10 HH TYR 10 57.598 -6.915 -7.362 56 H LYS 11 HN LYS 11 64.656 -5.798 -5.807 57 HA LYS 11 HA LYS 11 67.279 -5.475 -6.761 58 1HB LYS 11 HB2 LYS 11 66.261 -3.903 -4.430 59 2HB LYS 11 HB1 LYS 11 67.251 -3.376 -5.783 60 1HG LYS 11 HG2 LYS 11 65.139 -3.842 -7.204 61 2HG LYS 11 HG1 LYS 11 64.298 -3.779 -5.647 62 1HD LYS 11 HD2 LYS 11 64.275 -1.563 -5.781 63 2HD LYS 11 HD1 LYS 11 66.038 -1.558 -5.710 64 1HE LYS 11 HE2 LYS 11 65.028 -2.226 -8.355 65 2HE LYS 11 HE1 LYS 11 64.467 -0.652 -7.797 66 1HZ LYS 11 HZ1 LYS 11 66.732 0.021 -7.423 67 2HZ LYS 11 HZ2 LYS 11 66.573 -0.526 -9.016 68 3HZ LYS 11 HZ3 LYS 11 67.308 -1.512 -7.854 69 H THR 12 HN THR 12 68.708 -4.477 -4.661 70 HA THR 12 HA THR 12 69.055 -6.795 -2.879 71 HB THR 12 HB THR 12 70.760 -6.979 -4.504 72 HG1 THR 12 HG1 THR 12 71.890 -5.671 -2.259 73 1HG2 THR 12 1HG2 THR 12 72.358 -4.697 -4.229 74 2HG2 THR 12 2HG2 THR 12 70.720 -4.123 -4.544 75 3HG2 THR 12 3HG2 THR 12 71.493 -5.246 -5.665 76 H GLU 13 HN GLU 13 68.272 -3.623 -2.904 77 HA GLU 13 HA GLU 13 69.910 -2.766 -0.734 78 1HB GLU 13 HB2 GLU 13 68.217 -1.527 -2.693 79 2HB GLU 13 HB1 GLU 13 67.902 -0.915 -1.088 80 1HG GLU 13 HG2 GLU 13 69.918 0.092 -0.900 81 2HG GLU 13 HG1 GLU 13 70.723 -1.100 -1.920 82 H LEU 14 HN LEU 14 68.400 -1.284 0.895 83 HA LEU 14 HA LEU 14 66.040 -2.543 1.834 84 1HB LEU 14 HB2 LEU 14 67.097 -3.114 4.107 85 2HB LEU 14 HB1 LEU 14 67.234 -4.256 2.786 86 HG LEU 14 HG LEU 14 69.266 -3.728 4.333 87 1HD1 LEU 14 1HD1 LEU 14 69.031 -5.124 2.201 88 2HD1 LEU 14 2HD1 LEU 14 70.637 -4.637 2.741 89 3HD1 LEU 14 3HD1 LEU 14 69.853 -3.781 1.415 90 1HD2 LEU 14 1HD2 LEU 14 69.372 -1.362 4.124 91 2HD2 LEU 14 2HD2 LEU 14 69.386 -1.449 2.365 92 3HD2 LEU 14 3HD2 LEU 14 70.772 -2.035 3.282 93 H CYS 15 HN CYS 15 65.155 -1.589 3.705 94 HA CYS 15 HA CYS 15 65.637 1.177 3.915 95 1HB CYS 15 HB2 CYS 15 63.423 -0.156 4.182 96 2HB CYS 15 HB1 CYS 15 63.962 -0.430 5.839 97 H ARG 16 HN ARG 16 67.878 1.262 4.636 98 HA ARG 16 HA ARG 16 68.713 -0.027 7.001 99 1HB ARG 16 HB2 ARG 16 69.882 1.821 5.012 100 2HB ARG 16 HB1 ARG 16 70.506 2.018 6.643 101 1HG ARG 16 HG2 ARG 16 70.540 -0.499 5.022 102 2HG ARG 16 HG1 ARG 16 71.916 0.513 5.452 103 1HD ARG 16 HD2 ARG 16 70.351 -0.334 7.753 104 2HD ARG 16 HD1 ARG 16 71.028 -1.686 6.851 105 HE ARG 16 HE ARG 16 72.544 0.482 8.130 106 1HH1 ARG 16 1HH1 ARG 16 72.473 -2.666 6.605 107 2HH1 ARG 16 2HH1 ARG 16 74.094 -3.058 7.062 108 1HH2 ARG 16 1HH2 ARG 16 74.679 -0.038 8.714 109 2HH2 ARG 16 2HH2 ARG 16 75.346 -1.569 8.254 110 H THR 17 HN THR 17 69.379 3.378 6.855 111 HA THR 17 HA THR 17 68.401 3.779 9.515 112 HB THR 17 HB THR 17 70.544 4.748 8.729 113 HG1 THR 17 HG1 THR 17 68.666 5.970 10.126 114 1HG2 THR 17 1HG2 THR 17 70.261 5.406 6.530 115 2HG2 THR 17 2HG2 THR 17 70.282 6.933 7.414 116 3HG2 THR 17 3HG2 THR 17 68.751 6.250 6.872 117 H TYR 18 HN TYR 18 67.328 4.195 6.355 118 HA TYR 18 HA TYR 18 65.699 6.358 6.270 119 1HB TYR 18 HB2 TYR 18 65.578 3.602 5.106 120 2HB TYR 18 HB1 TYR 18 64.406 4.825 4.664 121 HD1 TYR 18 HD1 TYR 18 64.909 5.235 2.427 122 HD2 TYR 18 HD2 TYR 18 68.070 5.270 5.232 123 HE1 TYR 18 HE1 TYR 18 66.385 6.185 0.739 124 HE2 TYR 18 HE2 TYR 18 69.586 6.170 3.541 125 HH TYR 18 HH TYR 18 68.483 7.499 0.647 126 H SER 19 HN SER 19 64.786 3.057 7.281 127 HA SER 19 HA SER 19 62.130 3.408 7.749 128 1HB SER 19 HB2 SER 19 62.747 1.644 9.719 129 2HB SER 19 HB1 SER 19 62.569 1.221 8.015 130 HG SER 19 HG SER 19 64.624 0.675 9.272 131 H GLU 20 HN GLU 20 64.731 4.371 9.801 132 HA GLU 20 HA GLU 20 63.192 4.824 12.128 133 1HB GLU 20 HB2 GLU 20 65.877 4.854 11.522 134 2HB GLU 20 HB1 GLU 20 65.529 6.554 11.822 135 1HG GLU 20 HG2 GLU 20 64.588 5.977 13.998 136 2HG GLU 20 HG1 GLU 20 64.933 4.273 13.696 137 H SER 21 HN SER 21 64.154 6.874 9.437 138 HA SER 21 HA SER 21 62.025 8.476 9.158 139 1HB SER 21 HB2 SER 21 63.416 9.206 11.655 140 2HB SER 21 HB1 SER 21 63.103 10.563 10.575 141 HG SER 21 HG SER 21 61.380 10.117 12.067 142 H GLY 22 HN GLY 22 64.793 7.569 8.175 143 1HA GLY 22 HA2 GLY 22 66.303 9.802 7.489 144 2HA GLY 22 HA1 GLY 22 66.379 8.245 6.696 145 H ARG 23 HN ARG 23 65.150 7.886 4.881 146 HA ARG 23 HA ARG 23 63.884 10.235 3.654 147 1HB ARG 23 HB2 ARG 23 66.161 9.934 2.792 148 2HB ARG 23 HB1 ARG 23 65.762 8.298 2.345 149 1HG ARG 23 HG2 ARG 23 63.846 9.785 1.041 150 2HG ARG 23 HG1 ARG 23 65.309 10.766 0.902 151 1HD ARG 23 HD2 ARG 23 66.493 8.645 0.175 152 2HD ARG 23 HD1 ARG 23 64.898 7.907 0.031 153 HE ARG 23 HE ARG 23 64.547 10.009 -1.510 154 1HH1 ARG 23 1HH1 ARG 23 67.319 7.884 -1.316 155 2HH1 ARG 23 2HH1 ARG 23 67.801 8.167 -2.954 156 1HH2 ARG 23 1HH2 ARG 23 65.184 10.373 -3.655 157 2HH2 ARG 23 2HH2 ARG 23 66.596 9.585 -4.279 158 H CYS 24 HN CYS 24 64.526 6.902 3.098 159 HA CYS 24 HA CYS 24 63.255 5.106 2.517 160 1HB CYS 24 HB2 CYS 24 61.163 6.949 3.448 161 2HB CYS 24 HB1 CYS 24 60.633 5.682 2.357 162 H ARG 25 HN ARG 25 64.331 5.446 0.513 163 HA ARG 25 HA ARG 25 63.580 7.080 -1.541 164 1HB ARG 25 HB2 ARG 25 65.648 5.928 -1.658 165 2HB ARG 25 HB1 ARG 25 64.868 4.362 -1.589 166 1HG ARG 25 HG2 ARG 25 65.655 4.790 -3.825 167 2HG ARG 25 HG1 ARG 25 63.889 4.779 -3.813 168 1HD ARG 25 HD2 ARG 25 63.958 7.269 -3.624 169 2HD ARG 25 HD1 ARG 25 65.703 7.185 -3.854 170 HE ARG 25 HE ARG 25 63.665 6.459 -5.849 171 1HH1 ARG 25 1HH1 ARG 25 66.977 7.266 -5.051 172 2HH1 ARG 25 2HH1 ARG 25 67.452 7.447 -6.706 173 1HH2 ARG 25 1HH2 ARG 25 64.300 6.690 -8.005 174 2HH2 ARG 25 2HH2 ARG 25 65.933 7.126 -8.380 175 H TYR 26 HN TYR 26 61.808 4.452 -0.385 176 HA TYR 26 HA TYR 26 59.828 4.772 -2.496 177 1HB TYR 26 HB2 TYR 26 60.955 2.140 -1.529 178 2HB TYR 26 HB1 TYR 26 59.443 2.269 -2.419 179 HD1 TYR 26 HD1 TYR 26 60.207 4.331 -4.422 180 HD2 TYR 26 HD2 TYR 26 62.341 0.940 -2.999 181 HE1 TYR 26 HE1 TYR 26 61.439 4.213 -6.555 182 HE2 TYR 26 HE2 TYR 26 63.577 0.821 -5.112 183 HH TYR 26 HH TYR 26 62.689 2.664 -7.876 184 H GLY 27 HN GLY 27 59.659 6.023 -0.126 185 1HA GLY 27 HA2 GLY 27 58.737 4.971 2.159 186 2HA GLY 27 HA1 GLY 27 58.004 6.400 1.451 187 H ALA 28 HN ALA 28 57.273 3.651 2.845 188 HA ALA 28 HA ALA 28 55.367 2.456 3.088 189 1HB ALA 28 HB1 ALA 28 54.388 4.563 1.218 190 2HB ALA 28 HB2 ALA 28 53.918 4.233 2.884 191 3HB ALA 28 HB3 ALA 28 53.369 3.171 1.587 192 H LYS 29 HN LYS 29 56.993 2.677 0.145 193 HA LYS 29 HA LYS 29 55.896 0.153 -0.744 194 1HB LYS 29 HB2 LYS 29 55.426 2.388 -2.068 195 2HB LYS 29 HB1 LYS 29 57.036 2.068 -2.701 196 1HG LYS 29 HG2 LYS 29 56.253 0.545 -4.070 197 2HG LYS 29 HG1 LYS 29 55.511 -0.324 -2.731 198 1HD LYS 29 HD2 LYS 29 54.210 2.111 -3.894 199 2HD LYS 29 HD1 LYS 29 53.991 0.527 -4.642 200 1HE LYS 29 HE2 LYS 29 53.591 0.554 -1.738 201 2HE LYS 29 HE1 LYS 29 52.447 1.553 -2.634 202 1HZ LYS 29 HZ1 LYS 29 52.521 -1.259 -2.379 203 2HZ LYS 29 HZ2 LYS 29 52.654 -0.839 -4.014 204 3HZ LYS 29 HZ3 LYS 29 51.339 -0.289 -3.104 205 H CYS 30 HN CYS 30 58.390 1.130 0.824 206 HA CYS 30 HA CYS 30 60.511 0.415 -0.999 207 1HB CYS 30 HB2 CYS 30 62.023 0.894 0.858 208 2HB CYS 30 HB1 CYS 30 60.908 2.221 0.502 209 H GLN 31 HN GLN 31 60.808 -1.604 -1.459 210 HA GLN 31 HA GLN 31 60.815 -3.611 0.654 211 1HB GLN 31 HB2 GLN 31 61.111 -5.003 -1.663 212 2HB GLN 31 HB1 GLN 31 59.569 -4.687 -0.887 213 1HG GLN 31 HG2 GLN 31 59.317 -4.178 -3.184 214 2HG GLN 31 HG1 GLN 31 59.379 -2.646 -2.309 215 1HE2 GLN 31 1HE2 GLN 31 60.637 -4.387 -4.865 216 2HE2 GLN 31 2HE2 GLN 31 62.023 -3.411 -5.197 217 H PHE 32 HN PHE 32 62.686 -1.671 -1.367 218 HA PHE 32 HA PHE 32 65.135 -2.808 -0.361 219 1HB PHE 32 HB2 PHE 32 64.597 -2.698 -3.333 220 2HB PHE 32 HB1 PHE 32 66.171 -2.992 -2.605 221 HD1 PHE 32 HD1 PHE 32 62.883 -4.410 -3.275 222 HD2 PHE 32 HD2 PHE 32 66.721 -5.079 -1.588 223 HE1 PHE 32 HE1 PHE 32 62.436 -6.823 -3.252 224 HE2 PHE 32 HE2 PHE 32 66.291 -7.498 -1.560 225 HZ PHE 32 HZ PHE 32 64.143 -8.378 -2.396 226 H ALA 33 HN ALA 33 66.414 -1.266 -2.778 227 HA ALA 33 HA ALA 33 67.374 0.786 -3.019 228 1HB ALA 33 HB1 ALA 33 65.017 2.298 -2.243 229 2HB ALA 33 HB2 ALA 33 64.667 0.986 -3.370 230 3HB ALA 33 HB3 ALA 33 65.857 2.217 -3.793 231 H HIS 34 HN HIS 34 66.766 3.211 -1.730 232 HA HIS 34 HA HIS 34 66.964 4.399 0.198 233 1HB HIS 34 HB2 HIS 34 66.976 1.674 1.490 234 2HB HIS 34 HB1 HIS 34 67.199 3.165 2.402 235 HD1 HIS 34 HD1 HIS 34 64.564 3.219 -0.296 236 HD2 HIS 34 HD2 HIS 34 65.006 2.699 3.764 237 HE1 HIS 34 HE1 HIS 34 62.257 3.545 0.757 238 H GLY 35 HN GLY 35 68.795 3.443 2.483 239 1HA GLY 35 HA2 GLY 35 71.145 4.658 1.656 240 2HA GLY 35 HA1 GLY 35 70.935 3.677 3.112 241 H LEU 36 HN LEU 36 72.602 2.441 3.214 242 HA LEU 36 HA LEU 36 74.371 1.525 1.432 243 1HB LEU 36 HB2 LEU 36 74.192 1.065 3.946 244 2HB LEU 36 HB1 LEU 36 73.258 -0.350 3.509 245 HG LEU 36 HG LEU 36 75.785 -0.209 2.061 246 1HD1 LEU 36 1HD1 LEU 36 77.046 0.551 3.750 247 2HD1 LEU 36 2HD1 LEU 36 76.793 -1.050 4.445 248 3HD1 LEU 36 3HD1 LEU 36 75.771 0.299 4.944 249 1HD2 LEU 36 1HD2 LEU 36 75.483 -2.433 3.855 250 2HD2 LEU 36 2HD2 LEU 36 75.464 -2.406 2.094 251 3HD2 LEU 36 3HD2 LEU 36 73.973 -2.137 2.994 252 H GLY 37 HN GLY 37 71.902 -0.823 2.438 253 1HA GLY 37 HA2 GLY 37 70.892 -2.521 1.298 254 2HA GLY 37 HA1 GLY 37 70.700 -1.342 0.039 255 H GLU 38 HN GLU 38 73.879 -2.158 0.940 256 HA GLU 38 HA GLU 38 74.302 -3.345 -1.662 257 1HB GLU 38 HB2 GLU 38 76.355 -2.932 0.507 258 2HB GLU 38 HB1 GLU 38 76.648 -3.224 -1.196 259 1HG GLU 38 HG2 GLU 38 75.075 -0.972 -1.213 260 2HG GLU 38 HG1 GLU 38 76.111 -0.745 0.196 261 H LEU 39 HN LEU 39 72.653 -4.998 -0.230 262 HA LEU 39 HA LEU 39 73.826 -6.970 1.328 263 1HB LEU 39 HB2 LEU 39 71.568 -7.191 -0.643 264 2HB LEU 39 HB1 LEU 39 72.045 -8.504 0.415 265 HG LEU 39 HG LEU 39 71.336 -5.852 1.574 266 1HD1 LEU 39 1HD1 LEU 39 69.350 -6.084 0.462 267 2HD1 LEU 39 2HD1 LEU 39 69.016 -7.125 1.844 268 3HD1 LEU 39 3HD1 LEU 39 69.519 -7.833 0.310 269 1HD2 LEU 39 1HD2 LEU 39 71.751 -8.613 2.488 270 2HD2 LEU 39 2HD2 LEU 39 70.385 -7.773 3.222 271 3HD2 LEU 39 3HD2 LEU 39 72.005 -7.087 3.332 272 H ARG 40 HN ARG 40 73.250 -7.056 -2.108 273 HA ARG 40 HA ARG 40 75.075 -9.292 -2.463 274 1HB ARG 40 HB2 ARG 40 74.100 -9.581 -4.604 275 2HB ARG 40 HB1 ARG 40 72.774 -9.165 -3.524 276 1HG ARG 40 HG2 ARG 40 72.210 -7.614 -4.979 277 2HG ARG 40 HG1 ARG 40 73.651 -6.723 -4.484 278 1HD ARG 40 HD2 ARG 40 74.227 -6.868 -6.649 279 2HD ARG 40 HD1 ARG 40 74.662 -8.530 -6.255 280 HE ARG 40 HE ARG 40 72.010 -8.665 -6.874 281 1HH1 ARG 40 1HH1 ARG 40 74.841 -7.457 -8.526 282 2HH1 ARG 40 2HH1 ARG 40 74.213 -7.800 -10.104 283 1HH2 ARG 40 1HH2 ARG 40 71.184 -9.096 -8.942 284 2HH2 ARG 40 2HH2 ARG 40 72.137 -8.724 -10.339 285 H GLN 41 HN GLN 41 76.318 -6.899 -1.693 286 HA GLN 41 HA GLN 41 78.151 -6.540 -3.852 287 1HB GLN 41 HB2 GLN 41 76.589 -4.219 -2.718 288 2HB GLN 41 HB1 GLN 41 78.043 -4.031 -3.683 289 1HG GLN 41 HG2 GLN 41 76.979 -4.487 -5.619 290 2HG GLN 41 HG1 GLN 41 75.884 -5.646 -4.877 291 1HE2 GLN 41 1HE2 GLN 41 75.990 -2.799 -6.403 292 2HE2 GLN 41 2HE2 GLN 41 74.577 -2.041 -5.760 293 H ALA 42 HN ALA 42 77.218 -5.085 -0.756 294 HA ALA 42 HA ALA 42 78.381 -4.615 1.138 295 1HB ALA 42 HB1 ALA 42 80.310 -6.281 1.617 296 2HB ALA 42 HB2 ALA 42 79.704 -7.121 0.190 297 3HB ALA 42 HB3 ALA 42 78.649 -6.868 1.578 298 H ASN 43 HN ASN 43 80.850 -4.406 1.949 299 HA ASN 43 HA ASN 43 82.387 -3.089 -0.174 300 1HB ASN 43 HB2 ASN 43 81.071 -1.812 2.056 301 2HB ASN 43 HB1 ASN 43 82.811 -1.572 2.158 302 1HD2 ASN 43 1HD2 ASN 43 83.490 0.196 1.216 303 2HD2 ASN 43 2HD2 ASN 43 82.789 0.954 -0.169 Start of MODEL 3 1 H MET 4 HT1 MET 4 70.829 -21.851 -11.259 2 HA MET 4 HA MET 4 72.333 -19.418 -11.866 3 1HB MET 4 HB2 MET 4 71.048 -21.602 -13.519 4 2HB MET 4 HB1 MET 4 71.974 -20.253 -14.162 5 1HG MET 4 HG2 MET 4 73.751 -21.282 -12.410 6 2HG MET 4 HG1 MET 4 72.880 -22.738 -12.889 7 1HE MET 4 HE1 MET 4 76.187 -22.801 -14.214 8 2HE MET 4 HE2 MET 4 75.178 -23.848 -15.212 9 3HE MET 4 HE3 MET 4 74.848 -23.688 -13.486 10 H THR 5 HN THR 5 69.145 -20.657 -11.381 11 HA THR 5 HA THR 5 67.857 -18.624 -12.986 12 HB THR 5 HB THR 5 66.792 -20.783 -12.889 13 HG1 THR 5 HG1 THR 5 65.549 -18.595 -12.419 14 1HG2 THR 5 1HG2 THR 5 65.692 -21.045 -10.374 15 2HG2 THR 5 2HG2 THR 5 67.379 -20.633 -10.065 16 3HG2 THR 5 3HG2 THR 5 66.980 -22.026 -11.069 17 H THR 6 HN THR 6 66.882 -16.796 -12.276 18 HA THR 6 HA THR 6 67.302 -16.111 -9.444 19 HB THR 6 HB THR 6 66.891 -13.711 -10.495 20 HG1 THR 6 HG1 THR 6 66.486 -14.581 -12.598 21 1HG2 THR 6 1HG2 THR 6 69.354 -13.601 -11.094 22 2HG2 THR 6 2HG2 THR 6 69.429 -15.298 -10.623 23 3HG2 THR 6 3HG2 THR 6 68.945 -14.076 -9.446 24 H SER 7 HN SER 7 64.951 -16.255 -12.025 25 HA SER 7 HA SER 7 62.684 -16.172 -12.030 26 1HB SER 7 HB2 SER 7 61.533 -16.951 -10.178 27 2HB SER 7 HB1 SER 7 63.157 -17.546 -9.839 28 HG SER 7 HG SER 7 62.682 -16.551 -8.001 29 H SER 8 HN SER 8 64.208 -13.749 -12.085 30 HA SER 8 HA SER 8 63.907 -11.497 -12.031 31 1HB SER 8 HB2 SER 8 61.018 -12.059 -11.353 32 2HB SER 8 HB1 SER 8 61.679 -10.658 -12.197 33 HG SER 8 HG SER 8 61.678 -13.333 -13.152 34 H ARG 9 HN ARG 9 65.217 -11.754 -10.005 35 HA ARG 9 HA ARG 9 63.856 -11.474 -7.485 36 1HB ARG 9 HB2 ARG 9 65.997 -12.652 -7.615 37 2HB ARG 9 HB1 ARG 9 66.781 -11.197 -8.213 38 1HG ARG 9 HG2 ARG 9 67.321 -11.445 -5.907 39 2HG ARG 9 HG1 ARG 9 66.215 -10.081 -6.065 40 1HD ARG 9 HD2 ARG 9 64.895 -11.034 -4.555 41 2HD ARG 9 HD1 ARG 9 64.609 -12.355 -5.688 42 HE ARG 9 HE ARG 9 65.945 -13.687 -4.403 43 1HH1 ARG 9 1HH1 ARG 9 66.589 -10.355 -3.583 44 2HH1 ARG 9 2HH1 ARG 9 67.610 -10.753 -2.241 45 1HH2 ARG 9 1HH2 ARG 9 67.287 -14.211 -2.639 46 2HH2 ARG 9 2HH2 ARG 9 68.005 -12.941 -1.705 47 H TYR 10 HN TYR 10 64.023 -9.674 -6.069 48 HA TYR 10 HA TYR 10 63.622 -7.173 -7.377 49 1HB TYR 10 HB2 TYR 10 63.453 -8.264 -4.630 50 2HB TYR 10 HB1 TYR 10 63.697 -6.534 -4.774 51 HD1 TYR 10 HD1 TYR 10 61.671 -5.427 -4.389 52 HD2 TYR 10 HD2 TYR 10 61.742 -8.992 -6.710 53 HE1 TYR 10 HE1 TYR 10 59.262 -5.175 -4.837 54 HE2 TYR 10 HE2 TYR 10 59.332 -8.749 -7.172 55 HH TYR 10 HH TYR 10 57.675 -6.524 -7.191 56 H LYS 11 HN LYS 11 64.780 -5.380 -5.609 57 HA LYS 11 HA LYS 11 67.359 -5.190 -6.702 58 1HB LYS 11 HB2 LYS 11 66.558 -3.554 -4.342 59 2HB LYS 11 HB1 LYS 11 67.463 -3.082 -5.775 60 1HG LYS 11 HG2 LYS 11 65.259 -3.481 -7.046 61 2HG LYS 11 HG1 LYS 11 64.508 -3.403 -5.442 62 1HD LYS 11 HD2 LYS 11 64.666 -1.187 -5.393 63 2HD LYS 11 HD1 LYS 11 66.376 -1.230 -5.827 64 1HE LYS 11 HE2 LYS 11 64.012 -1.302 -7.695 65 2HE LYS 11 HE1 LYS 11 65.174 0.008 -7.502 66 1HZ LYS 11 HZ1 LYS 11 66.880 -1.774 -8.175 67 2HZ LYS 11 HZ2 LYS 11 65.918 -1.079 -9.378 68 3HZ LYS 11 HZ3 LYS 11 65.545 -2.617 -8.784 69 H THR 12 HN THR 12 68.927 -4.230 -4.679 70 HA THR 12 HA THR 12 69.341 -6.621 -3.003 71 HB THR 12 HB THR 12 71.011 -6.534 -4.732 72 HG1 THR 12 HG1 THR 12 72.212 -5.571 -2.360 73 1HG2 THR 12 1HG2 THR 12 72.678 -4.457 -4.344 74 2HG2 THR 12 2HG2 THR 12 71.116 -3.680 -4.079 75 3HG2 THR 12 3HG2 THR 12 71.439 -4.518 -5.599 76 H GLU 13 HN GLU 13 68.607 -3.386 -2.874 77 HA GLU 13 HA GLU 13 70.216 -2.687 -0.664 78 1HB GLU 13 HB2 GLU 13 68.351 -1.365 -2.438 79 2HB GLU 13 HB1 GLU 13 68.246 -0.807 -0.784 80 1HG GLU 13 HG2 GLU 13 70.237 0.220 -0.849 81 2HG GLU 13 HG1 GLU 13 70.965 -1.048 -1.831 82 H LEU 14 HN LEU 14 68.651 -1.290 1.059 83 HA LEU 14 HA LEU 14 66.431 -2.771 2.028 84 1HB LEU 14 HB2 LEU 14 67.632 -3.211 4.289 85 2HB LEU 14 HB1 LEU 14 67.755 -4.366 2.981 86 HG LEU 14 HG LEU 14 69.839 -3.646 4.434 87 1HD1 LEU 14 1HD1 LEU 14 69.671 -4.379 1.563 88 2HD1 LEU 14 2HD1 LEU 14 70.228 -5.318 2.941 89 3HD1 LEU 14 3HD1 LEU 14 71.239 -4.037 2.284 90 1HD2 LEU 14 1HD2 LEU 14 69.554 -1.239 3.791 91 2HD2 LEU 14 2HD2 LEU 14 70.069 -1.690 2.171 92 3HD2 LEU 14 3HD2 LEU 14 71.159 -1.912 3.533 93 H CYS 15 HN CYS 15 65.301 -1.730 3.619 94 HA CYS 15 HA CYS 15 65.722 1.047 3.894 95 1HB CYS 15 HB2 CYS 15 63.481 -0.102 3.802 96 2HB CYS 15 HB1 CYS 15 63.793 -0.746 5.407 97 H ARG 16 HN ARG 16 67.835 1.168 4.934 98 HA ARG 16 HA ARG 16 68.222 -0.095 7.460 99 1HB ARG 16 HB2 ARG 16 69.851 1.496 5.551 100 2HB ARG 16 HB1 ARG 16 70.306 1.608 7.251 101 1HG ARG 16 HG2 ARG 16 70.271 -0.919 7.304 102 2HG ARG 16 HG1 ARG 16 70.181 -0.847 5.545 103 1HD ARG 16 HD2 ARG 16 72.456 -1.079 6.012 104 2HD ARG 16 HD1 ARG 16 72.246 0.636 5.668 105 HE ARG 16 HE ARG 16 72.137 0.860 8.196 106 1HH1 ARG 16 1HH1 ARG 16 74.022 -1.605 6.578 107 2HH1 ARG 16 2HH1 ARG 16 75.174 -1.733 7.865 108 1HH2 ARG 16 1HH2 ARG 16 73.662 0.695 9.868 109 2HH2 ARG 16 2HH2 ARG 16 74.971 -0.430 9.727 110 H THR 17 HN THR 17 69.355 3.177 7.224 111 HA THR 17 HA THR 17 68.173 3.869 9.699 112 HB THR 17 HB THR 17 70.364 4.737 8.931 113 HG1 THR 17 HG1 THR 17 68.317 6.312 9.895 114 1HG2 THR 17 1HG2 THR 17 68.951 5.533 6.639 115 2HG2 THR 17 2HG2 THR 17 70.660 5.753 7.007 116 3HG2 THR 17 3HG2 THR 17 69.492 6.996 7.457 117 H TYR 18 HN TYR 18 67.183 4.028 6.491 118 HA TYR 18 HA TYR 18 65.575 6.225 6.244 119 1HB TYR 18 HB2 TYR 18 65.512 3.430 5.174 120 2HB TYR 18 HB1 TYR 18 64.329 4.617 4.669 121 HD1 TYR 18 HD1 TYR 18 64.840 5.151 2.478 122 HD2 TYR 18 HD2 TYR 18 67.992 4.957 5.271 123 HE1 TYR 18 HE1 TYR 18 66.367 6.107 0.813 124 HE2 TYR 18 HE2 TYR 18 69.547 5.873 3.633 125 HH TYR 18 HH TYR 18 68.878 7.523 1.208 126 H SER 19 HN SER 19 64.707 2.986 7.465 127 HA SER 19 HA SER 19 62.033 3.233 7.839 128 1HB SER 19 HB2 SER 19 63.930 1.396 8.581 129 2HB SER 19 HB1 SER 19 63.324 1.960 10.137 130 HG SER 19 HG SER 19 61.256 1.372 9.512 131 H GLU 20 HN GLU 20 64.535 4.534 9.846 132 HA GLU 20 HA GLU 20 62.874 5.361 11.985 133 1HB GLU 20 HB2 GLU 20 65.610 5.317 11.480 134 2HB GLU 20 HB1 GLU 20 65.227 7.029 11.620 135 1HG GLU 20 HG2 GLU 20 64.621 6.859 13.810 136 2HG GLU 20 HG1 GLU 20 64.152 5.162 13.663 137 H SER 21 HN SER 21 63.957 6.894 9.024 138 HA SER 21 HA SER 21 61.952 8.424 8.285 139 1HB SER 21 HB2 SER 21 61.536 9.470 10.380 140 2HB SER 21 HB1 SER 21 63.242 9.851 10.615 141 HG SER 21 HG SER 21 61.361 11.325 9.451 142 H GLY 22 HN GLY 22 65.182 7.821 8.329 143 1HA GLY 22 HA2 GLY 22 66.570 9.934 7.407 144 2HA GLY 22 HA1 GLY 22 66.825 8.313 6.793 145 H ARG 23 HN ARG 23 64.382 8.051 5.410 146 HA ARG 23 HA ARG 23 63.858 10.173 3.644 147 1HB ARG 23 HB2 ARG 23 66.230 9.629 3.063 148 2HB ARG 23 HB1 ARG 23 65.644 8.095 2.468 149 1HG ARG 23 HG2 ARG 23 64.057 10.080 1.266 150 2HG ARG 23 HG1 ARG 23 65.736 10.601 1.133 151 1HD ARG 23 HD2 ARG 23 66.348 8.496 0.102 152 2HD ARG 23 HD1 ARG 23 64.720 7.869 0.331 153 HE ARG 23 HE ARG 23 63.960 9.540 -1.277 154 1HH1 ARG 23 1HH1 ARG 23 67.398 8.899 -1.184 155 2HH1 ARG 23 2HH1 ARG 23 67.654 9.385 -2.822 156 1HH2 ARG 23 1HH2 ARG 23 64.308 10.177 -3.432 157 2HH2 ARG 23 2HH2 ARG 23 65.907 10.106 -4.099 158 H CYS 24 HN CYS 24 64.429 6.775 3.279 159 HA CYS 24 HA CYS 24 63.149 5.028 2.593 160 1HB CYS 24 HB2 CYS 24 61.076 6.879 3.581 161 2HB CYS 24 HB1 CYS 24 60.537 5.606 2.497 162 H ARG 25 HN ARG 25 64.183 5.389 0.570 163 HA ARG 25 HA ARG 25 63.429 7.091 -1.441 164 1HB ARG 25 HB2 ARG 25 65.487 5.888 -1.575 165 2HB ARG 25 HB1 ARG 25 64.649 4.359 -1.557 166 1HG ARG 25 HG2 ARG 25 65.398 4.716 -3.773 167 2HG ARG 25 HG1 ARG 25 63.646 4.949 -3.769 168 1HD ARG 25 HD2 ARG 25 64.102 6.858 -4.845 169 2HD ARG 25 HD1 ARG 25 64.542 7.470 -3.251 170 HE ARG 25 HE ARG 25 66.851 6.407 -4.083 171 1HH1 ARG 25 1HH1 ARG 25 64.597 8.544 -5.684 172 2HH1 ARG 25 2HH1 ARG 25 65.820 9.317 -6.636 173 1HH2 ARG 25 1HH2 ARG 25 68.454 7.425 -5.336 174 2HH2 ARG 25 2HH2 ARG 25 68.007 8.684 -6.437 175 H TYR 26 HN TYR 26 61.692 4.394 -0.345 176 HA TYR 26 HA TYR 26 59.697 4.736 -2.472 177 1HB TYR 26 HB2 TYR 26 60.634 2.071 -1.384 178 2HB TYR 26 HB1 TYR 26 59.291 2.290 -2.493 179 HD1 TYR 26 HD1 TYR 26 60.532 4.224 -4.408 180 HD2 TYR 26 HD2 TYR 26 62.091 0.724 -2.561 181 HE1 TYR 26 HE1 TYR 26 62.074 3.919 -6.297 182 HE2 TYR 26 HE2 TYR 26 63.639 0.417 -4.440 183 HH TYR 26 HH TYR 26 64.673 1.690 -6.203 184 H GLY 27 HN GLY 27 59.528 6.010 -0.108 185 1HA GLY 27 HA2 GLY 27 58.622 4.978 2.184 186 2HA GLY 27 HA1 GLY 27 57.860 6.386 1.466 187 H ALA 28 HN ALA 28 57.253 3.550 2.827 188 HA ALA 28 HA ALA 28 55.343 2.383 3.151 189 1HB ALA 28 HB1 ALA 28 54.349 4.480 1.353 190 2HB ALA 28 HB2 ALA 28 53.692 3.875 2.870 191 3HB ALA 28 HB3 ALA 28 53.416 2.986 1.372 192 H LYS 29 HN LYS 29 56.726 2.645 0.024 193 HA LYS 29 HA LYS 29 55.780 -0.004 -0.673 194 1HB LYS 29 HB2 LYS 29 55.304 2.124 -2.100 195 2HB LYS 29 HB1 LYS 29 56.967 1.904 -2.625 196 1HG LYS 29 HG2 LYS 29 56.512 -0.108 -3.658 197 2HG LYS 29 HG1 LYS 29 55.021 -0.338 -2.740 198 1HD LYS 29 HD2 LYS 29 54.631 0.299 -5.109 199 2HD LYS 29 HD1 LYS 29 53.937 1.428 -3.944 200 1HE LYS 29 HE2 LYS 29 56.198 2.690 -4.227 201 2HE LYS 29 HE1 LYS 29 56.324 1.766 -5.722 202 1HZ LYS 29 HZ1 LYS 29 55.314 3.848 -6.208 203 2HZ LYS 29 HZ2 LYS 29 54.176 3.671 -4.968 204 3HZ LYS 29 HZ3 LYS 29 54.107 2.669 -6.330 205 H CYS 30 HN CYS 30 58.343 1.312 0.747 206 HA CYS 30 HA CYS 30 60.458 0.511 -0.955 207 1HB CYS 30 HB2 CYS 30 61.928 0.864 1.002 208 2HB CYS 30 HB1 CYS 30 60.893 2.240 0.604 209 H GLN 31 HN GLN 31 61.517 -1.225 -1.199 210 HA GLN 31 HA GLN 31 61.139 -3.463 0.641 211 1HB GLN 31 HB2 GLN 31 60.420 -3.291 -2.105 212 2HB GLN 31 HB1 GLN 31 61.700 -4.480 -1.925 213 1HG GLN 31 HG2 GLN 31 60.416 -5.866 -0.635 214 2HG GLN 31 HG1 GLN 31 59.365 -4.556 -0.091 215 1HE2 GLN 31 1HE2 GLN 31 59.563 -7.204 -2.045 216 2HE2 GLN 31 2HE2 GLN 31 58.269 -6.846 -3.142 217 H PHE 32 HN PHE 32 63.227 -1.456 -1.135 218 HA PHE 32 HA PHE 32 65.542 -2.767 -0.022 219 1HB PHE 32 HB2 PHE 32 65.077 -2.694 -2.994 220 2HB PHE 32 HB1 PHE 32 66.661 -2.947 -2.276 221 HD1 PHE 32 HD1 PHE 32 63.332 -4.362 -2.801 222 HD2 PHE 32 HD2 PHE 32 67.250 -5.038 -1.300 223 HE1 PHE 32 HE1 PHE 32 62.888 -6.785 -2.742 224 HE2 PHE 32 HE2 PHE 32 66.818 -7.459 -1.233 225 HZ PHE 32 HZ PHE 32 64.634 -8.337 -1.957 226 H ALA 33 HN ALA 33 65.484 -0.872 -2.973 227 HA ALA 33 HA ALA 33 67.488 0.793 -2.680 228 1HB ALA 33 HB1 ALA 33 64.995 2.132 -3.566 229 2HB ALA 33 HB2 ALA 33 65.557 0.713 -4.452 230 3HB ALA 33 HB3 ALA 33 66.598 2.127 -4.298 231 H HIS 34 HN HIS 34 68.199 1.794 -0.916 232 HA HIS 34 HA HIS 34 66.805 4.083 0.088 233 1HB HIS 34 HB2 HIS 34 66.893 1.573 1.721 234 2HB HIS 34 HB1 HIS 34 67.096 3.128 2.529 235 HD1 HIS 34 HD1 HIS 34 64.502 3.240 -0.158 236 HD2 HIS 34 HD2 HIS 34 64.879 2.486 3.869 237 HE1 HIS 34 HE1 HIS 34 62.184 3.527 0.874 238 H GLY 35 HN GLY 35 68.676 2.855 2.627 239 1HA GLY 35 HA2 GLY 35 70.647 4.770 2.542 240 2HA GLY 35 HA1 GLY 35 70.737 3.256 3.460 241 H LEU 36 HN LEU 36 72.135 1.722 2.817 242 HA LEU 36 HA LEU 36 73.782 2.300 0.462 243 1HB LEU 36 HB2 LEU 36 74.970 0.197 1.761 244 2HB LEU 36 HB1 LEU 36 75.454 1.872 1.867 245 HG LEU 36 HG LEU 36 73.610 1.847 3.802 246 1HD1 LEU 36 1HD1 LEU 36 72.869 -0.253 4.105 247 2HD1 LEU 36 2HD1 LEU 36 74.407 -0.504 4.928 248 3HD1 LEU 36 3HD1 LEU 36 74.227 -0.962 3.232 249 1HD2 LEU 36 1HD2 LEU 36 75.893 2.585 4.073 250 2HD2 LEU 36 2HD2 LEU 36 76.462 0.916 4.055 251 3HD2 LEU 36 3HD2 LEU 36 75.458 1.491 5.388 252 H GLY 37 HN GLY 37 72.426 -0.498 2.173 253 1HA GLY 37 HA2 GLY 37 71.693 -2.521 1.442 254 2HA GLY 37 HA1 GLY 37 70.980 -1.592 0.158 255 H GLU 38 HN GLU 38 73.706 -3.443 1.150 256 HA GLU 38 HA GLU 38 74.335 -3.932 -1.680 257 1HB GLU 38 HB2 GLU 38 76.448 -3.861 0.469 258 2HB GLU 38 HB1 GLU 38 76.677 -3.917 -1.274 259 1HG GLU 38 HG2 GLU 38 75.236 -1.619 -0.950 260 2HG GLU 38 HG1 GLU 38 76.253 -1.639 0.490 261 H LEU 39 HN LEU 39 72.600 -5.506 -0.367 262 HA LEU 39 HA LEU 39 73.646 -7.670 1.052 263 1HB LEU 39 HB2 LEU 39 71.248 -7.608 -0.763 264 2HB LEU 39 HB1 LEU 39 71.600 -8.879 0.396 265 HG LEU 39 HG LEU 39 71.416 -6.070 1.348 266 1HD1 LEU 39 1HD1 LEU 39 69.201 -7.684 0.249 267 2HD1 LEU 39 2HD1 LEU 39 69.354 -5.936 0.418 268 3HD1 LEU 39 3HD1 LEU 39 68.905 -6.918 1.809 269 1HD2 LEU 39 1HD2 LEU 39 70.337 -7.405 3.284 270 2HD2 LEU 39 2HD2 LEU 39 72.081 -7.498 3.041 271 3HD2 LEU 39 3HD2 LEU 39 71.043 -8.809 2.484 272 H ARG 40 HN ARG 40 73.548 -7.039 -2.324 273 HA ARG 40 HA ARG 40 74.991 -9.544 -2.842 274 1HB ARG 40 HB2 ARG 40 73.833 -9.909 -4.853 275 2HB ARG 40 HB1 ARG 40 72.604 -9.517 -3.658 276 1HG ARG 40 HG2 ARG 40 71.849 -7.960 -5.015 277 2HG ARG 40 HG1 ARG 40 73.367 -7.078 -4.797 278 1HD ARG 40 HD2 ARG 40 74.346 -8.285 -6.664 279 2HD ARG 40 HD1 ARG 40 72.878 -9.234 -6.850 280 HE ARG 40 HE ARG 40 73.273 -6.456 -7.624 281 1HH1 ARG 40 1HH1 ARG 40 71.057 -9.134 -7.250 282 2HH1 ARG 40 2HH1 ARG 40 69.865 -8.451 -8.302 283 1HH2 ARG 40 1HH2 ARG 40 71.702 -5.563 -9.003 284 2HH2 ARG 40 2HH2 ARG 40 70.230 -6.425 -9.295 285 H GLN 41 HN GLN 41 76.147 -7.004 -2.271 286 HA GLN 41 HA GLN 41 77.802 -6.756 -4.586 287 1HB GLN 41 HB2 GLN 41 76.216 -4.437 -3.496 288 2HB GLN 41 HB1 GLN 41 77.630 -4.233 -4.521 289 1HG GLN 41 HG2 GLN 41 75.809 -6.084 -5.727 290 2HG GLN 41 HG1 GLN 41 74.969 -4.595 -5.308 291 1HE2 GLN 41 1HE2 GLN 41 77.793 -5.870 -6.992 292 2HE2 GLN 41 2HE2 GLN 41 77.910 -4.589 -8.145 293 H ALA 42 HN ALA 42 79.078 -7.849 -2.875 294 HA ALA 42 HA ALA 42 79.853 -6.763 -0.480 295 1HB ALA 42 HB1 ALA 42 81.647 -8.254 -0.491 296 2HB ALA 42 HB2 ALA 42 81.825 -8.171 -2.243 297 3HB ALA 42 HB3 ALA 42 80.453 -9.024 -1.534 298 H ASN 43 HN ASN 43 82.316 -6.104 -0.128 299 HA ASN 43 HA ASN 43 82.562 -3.474 -1.082 300 1HB ASN 43 HB2 ASN 43 83.689 -4.854 0.958 301 2HB ASN 43 HB1 ASN 43 85.039 -4.813 -0.171 302 1HD2 ASN 43 1HD2 ASN 43 85.537 -3.574 2.047 303 2HD2 ASN 43 2HD2 ASN 43 85.423 -1.857 1.898 Start of MODEL 4 1 H MET 4 HT1 MET 4 69.647 -22.591 -7.554 2 HA MET 4 HA MET 4 68.545 -22.126 -9.626 3 1HB MET 4 HB2 MET 4 69.066 -24.373 -10.592 4 2HB MET 4 HB1 MET 4 67.840 -25.067 -9.537 5 1HG MET 4 HG2 MET 4 66.119 -23.777 -10.631 6 2HG MET 4 HG1 MET 4 67.323 -22.961 -11.626 7 1HE MET 4 HE1 MET 4 67.195 -24.309 -14.558 8 2HE MET 4 HE2 MET 4 68.649 -25.147 -14.010 9 3HE MET 4 HE3 MET 4 68.281 -23.531 -13.406 10 H THR 5 HN THR 5 67.269 -20.860 -8.370 11 HA THR 5 HA THR 5 64.865 -22.095 -7.285 12 HB THR 5 HB THR 5 65.405 -20.291 -5.294 13 HG1 THR 5 HG1 THR 5 67.606 -20.223 -6.253 14 1HG2 THR 5 1HG2 THR 5 65.119 -22.054 -3.989 15 2HG2 THR 5 2HG2 THR 5 66.562 -22.847 -4.623 16 3HG2 THR 5 3HG2 THR 5 65.018 -23.023 -5.460 17 H THR 6 HN THR 6 66.250 -18.867 -6.770 18 HA THR 6 HA THR 6 63.819 -17.625 -7.659 19 HB THR 6 HB THR 6 65.414 -15.522 -7.406 20 HG1 THR 6 HG1 THR 6 67.329 -16.657 -7.164 21 1HG2 THR 6 1HG2 THR 6 64.389 -15.174 -5.470 22 2HG2 THR 6 2HG2 THR 6 65.069 -16.633 -4.750 23 3HG2 THR 6 3HG2 THR 6 63.610 -16.732 -5.736 24 H SER 7 HN SER 7 63.545 -16.254 -9.440 25 HA SER 7 HA SER 7 65.455 -16.745 -11.629 26 1HB SER 7 HB2 SER 7 62.559 -15.948 -11.945 27 2HB SER 7 HB1 SER 7 63.644 -16.588 -13.177 28 HG SER 7 HG SER 7 63.713 -18.460 -11.519 29 H SER 8 HN SER 8 63.491 -14.300 -10.023 30 HA SER 8 HA SER 8 65.329 -12.235 -10.789 31 1HB SER 8 HB2 SER 8 63.267 -12.711 -12.590 32 2HB SER 8 HB1 SER 8 62.678 -11.354 -11.630 33 HG SER 8 HG SER 8 64.115 -10.984 -13.585 34 H ARG 9 HN ARG 9 65.540 -11.839 -8.606 35 HA ARG 9 HA ARG 9 63.211 -11.305 -6.970 36 1HB ARG 9 HB2 ARG 9 65.796 -12.176 -6.449 37 2HB ARG 9 HB1 ARG 9 65.787 -10.529 -5.834 38 1HG ARG 9 HG2 ARG 9 63.402 -11.940 -5.032 39 2HG ARG 9 HG1 ARG 9 64.857 -12.822 -4.557 40 1HD ARG 9 HD2 ARG 9 65.123 -11.424 -2.853 41 2HD ARG 9 HD1 ARG 9 65.314 -10.091 -3.987 42 HE ARG 9 HE ARG 9 63.110 -9.478 -3.619 43 1HH1 ARG 9 1HH1 ARG 9 63.823 -12.461 -1.949 44 2HH1 ARG 9 2HH1 ARG 9 62.391 -12.402 -0.980 45 1HH2 ARG 9 1HH2 ARG 9 61.231 -9.400 -2.348 46 2HH2 ARG 9 2HH2 ARG 9 60.918 -10.667 -1.209 47 H TYR 10 HN TYR 10 63.851 -9.282 -5.380 48 HA TYR 10 HA TYR 10 63.349 -6.988 -7.020 49 1HB TYR 10 HB2 TYR 10 63.260 -7.712 -4.166 50 2HB TYR 10 HB1 TYR 10 63.569 -6.021 -4.511 51 HD1 TYR 10 HD1 TYR 10 61.644 -4.749 -4.310 52 HD2 TYR 10 HD2 TYR 10 61.406 -8.646 -5.995 53 HE1 TYR 10 HE1 TYR 10 59.243 -4.413 -4.718 54 HE2 TYR 10 HE2 TYR 10 58.997 -8.324 -6.412 55 HH TYR 10 HH TYR 10 57.459 -5.242 -6.016 56 H LYS 11 HN LYS 11 64.602 -5.002 -5.509 57 HA LYS 11 HA LYS 11 67.033 -4.778 -6.826 58 1HB LYS 11 HB2 LYS 11 66.264 -3.211 -4.379 59 2HB LYS 11 HB1 LYS 11 67.263 -2.695 -5.732 60 1HG LYS 11 HG2 LYS 11 64.759 -3.460 -6.798 61 2HG LYS 11 HG1 LYS 11 64.443 -2.434 -5.387 62 1HD LYS 11 HD2 LYS 11 64.614 -0.885 -7.091 63 2HD LYS 11 HD1 LYS 11 66.257 -0.892 -6.445 64 1HE LYS 11 HE2 LYS 11 66.936 -2.445 -8.215 65 2HE LYS 11 HE1 LYS 11 65.292 -2.436 -8.852 66 1HZ LYS 11 HZ1 LYS 11 66.207 -0.858 -10.168 67 2HZ LYS 11 HZ2 LYS 11 67.364 -0.388 -9.026 68 3HZ LYS 11 HZ3 LYS 11 65.766 0.148 -8.879 69 H THR 12 HN THR 12 68.749 -3.715 -4.901 70 HA THR 12 HA THR 12 69.493 -6.081 -3.326 71 HB THR 12 HB THR 12 70.957 -6.205 -5.136 72 HG1 THR 12 HG1 THR 12 72.649 -6.232 -3.935 73 1HG2 THR 12 1HG2 THR 12 70.377 -3.920 -6.035 74 2HG2 THR 12 2HG2 THR 12 72.046 -4.451 -6.243 75 3HG2 THR 12 3HG2 THR 12 71.639 -3.292 -4.975 76 H GLU 13 HN GLU 13 68.148 -3.862 -2.230 77 HA GLU 13 HA GLU 13 70.208 -2.837 -0.498 78 1HB GLU 13 HB2 GLU 13 68.551 -1.356 -2.276 79 2HB GLU 13 HB1 GLU 13 68.229 -0.895 -0.615 80 1HG GLU 13 HG2 GLU 13 70.328 -0.065 -0.287 81 2HG GLU 13 HG1 GLU 13 71.033 -1.141 -1.488 82 H LEU 14 HN LEU 14 68.700 -1.393 1.263 83 HA LEU 14 HA LEU 14 66.452 -2.872 2.214 84 1HB LEU 14 HB2 LEU 14 67.761 -3.271 4.470 85 2HB LEU 14 HB1 LEU 14 67.726 -4.460 3.190 86 HG LEU 14 HG LEU 14 69.964 -3.954 4.369 87 1HD1 LEU 14 1HD1 LEU 14 70.354 -3.748 1.455 88 2HD1 LEU 14 2HD1 LEU 14 69.370 -5.089 2.035 89 3HD1 LEU 14 3HD1 LEU 14 71.019 -4.887 2.622 90 1HD2 LEU 14 1HD2 LEU 14 71.208 -2.108 3.742 91 2HD2 LEU 14 2HD2 LEU 14 69.597 -1.439 3.977 92 3HD2 LEU 14 3HD2 LEU 14 70.186 -1.758 2.350 93 H CYS 15 HN CYS 15 65.286 -1.773 3.732 94 HA CYS 15 HA CYS 15 65.751 0.980 3.988 95 1HB CYS 15 HB2 CYS 15 63.499 -0.209 3.970 96 2HB CYS 15 HB1 CYS 15 63.824 -0.700 5.627 97 H ARG 16 HN ARG 16 67.928 0.967 4.918 98 HA ARG 16 HA ARG 16 68.433 -0.124 7.484 99 1HB ARG 16 HB2 ARG 16 69.907 1.504 5.471 100 2HB ARG 16 HB1 ARG 16 70.428 1.657 7.143 101 1HG ARG 16 HG2 ARG 16 70.730 -0.765 7.291 102 2HG ARG 16 HG1 ARG 16 70.241 -0.912 5.605 103 1HD ARG 16 HD2 ARG 16 72.463 -0.792 5.229 104 2HD ARG 16 HD1 ARG 16 72.179 0.941 5.375 105 HE ARG 16 HE ARG 16 73.139 0.908 7.507 106 1HH1 ARG 16 1HH1 ARG 16 73.116 -2.273 6.059 107 2HH1 ARG 16 2HH1 ARG 16 74.274 -2.919 7.171 108 1HH2 ARG 16 1HH2 ARG 16 74.655 0.051 8.970 109 2HH2 ARG 16 2HH2 ARG 16 75.143 -1.604 8.824 110 H THR 17 HN THR 17 69.388 3.178 7.047 111 HA THR 17 HA THR 17 68.294 3.943 9.555 112 HB THR 17 HB THR 17 70.447 4.822 8.695 113 HG1 THR 17 HG1 THR 17 68.559 6.907 9.025 114 1HG2 THR 17 1HG2 THR 17 70.556 6.498 7.010 115 2HG2 THR 17 2HG2 THR 17 68.804 6.488 6.812 116 3HG2 THR 17 3HG2 THR 17 69.753 5.085 6.325 117 H TYR 18 HN TYR 18 67.344 4.049 6.311 118 HA TYR 18 HA TYR 18 65.676 6.154 5.986 119 1HB TYR 18 HB2 TYR 18 65.726 3.324 5.014 120 2HB TYR 18 HB1 TYR 18 64.475 4.427 4.472 121 HD1 TYR 18 HD1 TYR 18 64.930 5.005 2.297 122 HD2 TYR 18 HD2 TYR 18 68.134 4.903 5.021 123 HE1 TYR 18 HE1 TYR 18 66.400 5.984 0.590 124 HE2 TYR 18 HE2 TYR 18 69.641 5.846 3.348 125 HH TYR 18 HH TYR 18 68.458 7.122 0.357 126 H SER 19 HN SER 19 64.816 2.949 7.313 127 HA SER 19 HA SER 19 62.124 3.297 7.643 128 1HB SER 19 HB2 SER 19 62.806 1.733 9.814 129 2HB SER 19 HB1 SER 19 62.479 1.148 8.184 130 HG SER 19 HG SER 19 65.033 1.980 9.089 131 H GLU 20 HN GLU 20 64.667 4.322 9.765 132 HA GLU 20 HA GLU 20 63.149 4.983 12.011 133 1HB GLU 20 HB2 GLU 20 65.825 5.230 11.238 134 2HB GLU 20 HB1 GLU 20 65.304 6.876 11.570 135 1HG GLU 20 HG2 GLU 20 64.630 6.270 13.795 136 2HG GLU 20 HG1 GLU 20 64.970 4.565 13.471 137 H SER 21 HN SER 21 64.001 6.890 9.176 138 HA SER 21 HA SER 21 61.806 8.273 8.635 139 1HB SER 21 HB2 SER 21 62.244 10.510 9.959 140 2HB SER 21 HB1 SER 21 61.300 9.214 10.695 141 HG SER 21 HG SER 21 64.097 9.422 11.049 142 H GLY 22 HN GLY 22 64.523 7.574 7.721 143 1HA GLY 22 HA2 GLY 22 65.944 9.952 7.190 144 2HA GLY 22 HA1 GLY 22 66.238 8.394 6.443 145 H ARG 23 HN ARG 23 65.324 7.926 4.521 146 HA ARG 23 HA ARG 23 63.980 10.136 3.123 147 1HB ARG 23 HB2 ARG 23 66.326 9.653 2.405 148 2HB ARG 23 HB1 ARG 23 65.794 8.064 1.919 149 1HG ARG 23 HG2 ARG 23 64.092 10.012 0.726 150 2HG ARG 23 HG1 ARG 23 65.774 10.425 0.405 151 1HD ARG 23 HD2 ARG 23 66.192 8.370 -0.661 152 2HD ARG 23 HD1 ARG 23 64.733 7.633 -0.009 153 HE ARG 23 HE ARG 23 63.453 8.797 -1.601 154 1HH1 ARG 23 1HH1 ARG 23 66.875 9.441 -1.952 155 2HH1 ARG 23 2HH1 ARG 23 66.715 10.049 -3.564 156 1HH2 ARG 23 1HH2 ARG 23 63.253 9.597 -3.716 157 2HH2 ARG 23 2HH2 ARG 23 64.662 10.141 -4.564 158 H CYS 24 HN CYS 24 64.565 6.731 2.961 159 HA CYS 24 HA CYS 24 63.289 4.939 2.360 160 1HB CYS 24 HB2 CYS 24 61.233 6.841 3.299 161 2HB CYS 24 HB1 CYS 24 60.668 5.506 2.305 162 H ARG 25 HN ARG 25 64.301 5.255 0.309 163 HA ARG 25 HA ARG 25 63.527 6.823 -1.765 164 1HB ARG 25 HB2 ARG 25 65.534 5.541 -1.861 165 2HB ARG 25 HB1 ARG 25 64.648 4.043 -1.786 166 1HG ARG 25 HG2 ARG 25 65.047 4.039 -4.001 167 2HG ARG 25 HG1 ARG 25 63.598 5.051 -4.042 168 1HD ARG 25 HD2 ARG 25 64.766 6.773 -4.829 169 2HD ARG 25 HD1 ARG 25 65.915 6.662 -3.497 170 HE ARG 25 HE ARG 25 66.465 4.660 -5.408 171 1HH1 ARG 25 1HH1 ARG 25 66.708 8.110 -4.945 172 2HH1 ARG 25 2HH1 ARG 25 68.056 8.286 -6.017 173 1HH2 ARG 25 1HH2 ARG 25 68.241 4.890 -6.819 174 2HH2 ARG 25 2HH2 ARG 25 68.923 6.459 -7.084 175 H TYR 26 HN TYR 26 61.748 4.202 -0.519 176 HA TYR 26 HA TYR 26 59.679 4.572 -2.575 177 1HB TYR 26 HB2 TYR 26 60.486 1.916 -1.369 178 2HB TYR 26 HB1 TYR 26 59.144 2.162 -2.479 179 HD1 TYR 26 HD1 TYR 26 60.313 3.813 -4.568 180 HD2 TYR 26 HD2 TYR 26 62.016 0.565 -2.409 181 HE1 TYR 26 HE1 TYR 26 61.815 3.356 -6.460 182 HE2 TYR 26 HE2 TYR 26 63.536 0.113 -4.290 183 HH TYR 26 HH TYR 26 64.521 1.581 -6.266 184 H GLY 27 HN GLY 27 59.709 5.967 -0.253 185 1HA GLY 27 HA2 GLY 27 58.773 5.100 2.103 186 2HA GLY 27 HA1 GLY 27 58.151 6.558 1.356 187 H ALA 28 HN ALA 28 57.286 3.806 2.800 188 HA ALA 28 HA ALA 28 55.224 2.925 3.207 189 1HB ALA 28 HB1 ALA 28 54.526 5.220 1.854 190 2HB ALA 28 HB2 ALA 28 53.421 4.112 2.667 191 3HB ALA 28 HB3 ALA 28 53.732 3.939 0.940 192 H LYS 29 HN LYS 29 56.690 2.827 0.131 193 HA LYS 29 HA LYS 29 55.521 0.233 -0.407 194 1HB LYS 29 HB2 LYS 29 55.011 2.273 -1.928 195 2HB LYS 29 HB1 LYS 29 56.627 1.966 -2.550 196 1HG LYS 29 HG2 LYS 29 55.916 0.280 -3.762 197 2HG LYS 29 HG1 LYS 29 55.159 -0.469 -2.361 198 1HD LYS 29 HD2 LYS 29 53.940 1.689 -4.078 199 2HD LYS 29 HD1 LYS 29 53.518 -0.024 -4.121 200 1HE LYS 29 HE2 LYS 29 53.357 0.913 -1.426 201 2HE LYS 29 HE1 LYS 29 52.443 2.002 -2.470 202 1HZ LYS 29 HZ1 LYS 29 51.909 -0.749 -1.748 203 2HZ LYS 29 HZ2 LYS 29 51.666 -0.389 -3.383 204 3HZ LYS 29 HZ3 LYS 29 50.837 0.481 -2.195 205 H CYS 30 HN CYS 30 58.089 1.233 0.972 206 HA CYS 30 HA CYS 30 60.126 0.370 -0.863 207 1HB CYS 30 HB2 CYS 30 61.723 0.851 0.903 208 2HB CYS 30 HB1 CYS 30 60.617 2.204 0.609 209 H GLN 31 HN GLN 31 61.000 -1.446 -1.099 210 HA GLN 31 HA GLN 31 60.837 -3.505 0.959 211 1HB GLN 31 HB2 GLN 31 59.953 -3.550 -1.762 212 2HB GLN 31 HB1 GLN 31 61.169 -4.791 -1.493 213 1HG GLN 31 HG2 GLN 31 59.878 -5.825 0.171 214 2HG GLN 31 HG1 GLN 31 58.813 -4.426 0.299 215 1HE2 GLN 31 1HE2 GLN 31 59.282 -7.430 -1.086 216 2HE2 GLN 31 2HE2 GLN 31 57.996 -7.383 -2.250 217 H PHE 32 HN PHE 32 62.649 -1.692 -1.256 218 HA PHE 32 HA PHE 32 65.154 -2.552 -0.203 219 1HB PHE 32 HB2 PHE 32 64.505 -3.048 -3.113 220 2HB PHE 32 HB1 PHE 32 66.115 -3.140 -2.415 221 HD1 PHE 32 HD1 PHE 32 62.851 -4.739 -2.656 222 HD2 PHE 32 HD2 PHE 32 66.778 -4.989 -1.053 223 HE1 PHE 32 HE1 PHE 32 62.496 -7.131 -2.173 224 HE2 PHE 32 HE2 PHE 32 66.432 -7.375 -0.551 225 HZ PHE 32 HZ PHE 32 64.291 -8.452 -1.118 226 H ALA 33 HN ALA 33 66.779 -1.480 -2.174 227 HA ALA 33 HA ALA 33 67.710 0.526 -2.732 228 1HB ALA 33 HB1 ALA 33 66.623 1.549 -4.446 229 2HB ALA 33 HB2 ALA 33 65.075 1.563 -3.603 230 3HB ALA 33 HB3 ALA 33 65.658 0.077 -4.350 231 H HIS 34 HN HIS 34 68.340 1.593 -0.941 232 HA HIS 34 HA HIS 34 66.841 3.880 -0.083 233 1HB HIS 34 HB2 HIS 34 66.933 1.417 1.606 234 2HB HIS 34 HB1 HIS 34 67.154 2.972 2.407 235 HD1 HIS 34 HD1 HIS 34 64.548 3.096 -0.277 236 HD2 HIS 34 HD2 HIS 34 64.936 2.376 3.757 237 HE1 HIS 34 HE1 HIS 34 62.224 3.351 0.757 238 H GLY 35 HN GLY 35 68.743 2.616 2.467 239 1HA GLY 35 HA2 GLY 35 70.759 4.599 2.158 240 2HA GLY 35 HA1 GLY 35 70.646 3.370 3.434 241 H LEU 36 HN LEU 36 72.285 2.059 3.501 242 HA LEU 36 HA LEU 36 74.282 1.882 1.531 243 1HB LEU 36 HB2 LEU 36 74.368 1.439 4.070 244 2HB LEU 36 HB1 LEU 36 73.832 -0.178 3.676 245 HG LEU 36 HG LEU 36 76.097 0.595 2.053 246 1HD1 LEU 36 1HD1 LEU 36 77.160 1.822 3.616 247 2HD1 LEU 36 2HD1 LEU 36 77.545 0.241 4.296 248 3HD1 LEU 36 3HD1 LEU 36 76.192 1.170 4.939 249 1HD2 LEU 36 1HD2 LEU 36 76.430 -1.599 2.184 250 2HD2 LEU 36 2HD2 LEU 36 74.967 -1.702 3.166 251 3HD2 LEU 36 3HD2 LEU 36 76.543 -1.535 3.942 252 H GLY 37 HN GLY 37 72.556 -0.983 2.737 253 1HA GLY 37 HA2 GLY 37 72.015 -2.934 1.676 254 2HA GLY 37 HA1 GLY 37 71.188 -1.865 0.582 255 H GLU 38 HN GLU 38 74.177 -3.484 1.215 256 HA GLU 38 HA GLU 38 74.613 -3.732 -1.682 257 1HB GLU 38 HB2 GLU 38 76.877 -3.179 0.243 258 2HB GLU 38 HB1 GLU 38 76.945 -3.219 -1.513 259 1HG GLU 38 HG2 GLU 38 75.080 -1.280 -1.064 260 2HG GLU 38 HG1 GLU 38 76.184 -1.056 0.291 261 H LEU 39 HN LEU 39 73.415 -5.579 -0.016 262 HA LEU 39 HA LEU 39 75.407 -7.526 0.770 263 1HB LEU 39 HB2 LEU 39 72.407 -7.754 0.659 264 2HB LEU 39 HB1 LEU 39 73.487 -8.944 1.363 265 HG LEU 39 HG LEU 39 73.589 -6.146 2.352 266 1HD1 LEU 39 1HD1 LEU 39 71.641 -8.128 3.485 267 2HD1 LEU 39 2HD1 LEU 39 71.170 -6.974 2.238 268 3HD1 LEU 39 3HD1 LEU 39 71.760 -6.394 3.794 269 1HD2 LEU 39 1HD2 LEU 39 73.671 -8.321 4.270 270 2HD2 LEU 39 2HD2 LEU 39 74.837 -7.033 3.972 271 3HD2 LEU 39 3HD2 LEU 39 74.883 -8.503 3.001 272 H ARG 40 HN ARG 40 73.512 -6.812 -1.960 273 HA ARG 40 HA ARG 40 74.402 -9.277 -3.294 274 1HB ARG 40 HB2 ARG 40 72.206 -8.238 -4.732 275 2HB ARG 40 HB1 ARG 40 72.271 -9.723 -3.796 276 1HG ARG 40 HG2 ARG 40 71.734 -7.124 -2.430 277 2HG ARG 40 HG1 ARG 40 70.440 -7.963 -3.292 278 1HD ARG 40 HD2 ARG 40 71.190 -10.031 -1.941 279 2HD ARG 40 HD1 ARG 40 72.008 -8.868 -0.902 280 HE ARG 40 HE ARG 40 69.260 -9.473 -0.890 281 1HH1 ARG 40 1HH1 ARG 40 71.403 -6.722 -0.682 282 2HH1 ARG 40 2HH1 ARG 40 70.319 -5.797 0.297 283 1HH2 ARG 40 1HH2 ARG 40 67.846 -8.260 0.412 284 2HH2 ARG 40 2HH2 ARG 40 68.302 -6.668 0.921 285 H GLN 41 HN GLN 41 76.199 -7.391 -3.354 286 HA GLN 41 HA GLN 41 76.282 -6.581 -6.078 287 1HB GLN 41 HB2 GLN 41 76.077 -4.557 -3.863 288 2HB GLN 41 HB1 GLN 41 76.800 -4.165 -5.417 289 1HG GLN 41 HG2 GLN 41 74.679 -4.824 -6.515 290 2HG GLN 41 HG1 GLN 41 73.979 -5.057 -4.914 291 1HE2 GLN 41 1HE2 GLN 41 73.409 -3.160 -7.166 292 2HE2 GLN 41 2HE2 GLN 41 73.415 -1.597 -6.430 293 H ALA 42 HN ALA 42 77.760 -7.969 -3.665 294 HA ALA 42 HA ALA 42 80.303 -7.867 -4.716 295 1HB ALA 42 HB1 ALA 42 81.475 -6.258 -3.665 296 2HB ALA 42 HB2 ALA 42 80.568 -6.436 -2.164 297 3HB ALA 42 HB3 ALA 42 79.892 -5.499 -3.494 298 H ASN 43 HN ASN 43 79.026 -7.782 -1.390 299 HA ASN 43 HA ASN 43 80.584 -10.095 -0.661 300 1HB ASN 43 HB2 ASN 43 78.651 -8.314 0.798 301 2HB ASN 43 HB1 ASN 43 79.231 -9.809 1.525 302 1HD2 ASN 43 1HD2 ASN 43 81.595 -10.064 1.643 303 2HD2 ASN 43 2HD2 ASN 43 82.549 -8.659 1.962 Start of MODEL 5 1 H MET 4 HT1 MET 4 68.347 -20.133 -3.322 2 HA MET 4 HA MET 4 69.413 -20.158 -6.064 3 1HB MET 4 HB2 MET 4 69.814 -22.174 -4.510 4 2HB MET 4 HB1 MET 4 68.076 -22.420 -4.592 5 1HG MET 4 HG2 MET 4 68.130 -22.945 -6.852 6 2HG MET 4 HG1 MET 4 69.705 -22.190 -7.089 7 1HE MET 4 HE1 MET 4 68.734 -25.377 -7.994 8 2HE MET 4 HE2 MET 4 70.398 -25.953 -7.892 9 3HE MET 4 HE3 MET 4 70.057 -24.354 -8.552 10 H THR 5 HN THR 5 67.679 -21.019 -7.545 11 HA THR 5 HA THR 5 65.652 -20.843 -8.538 12 HB THR 5 HB THR 5 63.671 -21.091 -7.286 13 HG1 THR 5 HG1 THR 5 63.623 -20.631 -5.027 14 1HG2 THR 5 1HG2 THR 5 64.685 -22.469 -5.150 15 2HG2 THR 5 2HG2 THR 5 65.987 -22.562 -6.336 16 3HG2 THR 5 3HG2 THR 5 64.370 -23.128 -6.756 17 H THR 6 HN THR 6 67.334 -18.437 -7.640 18 HA THR 6 HA THR 6 65.258 -16.368 -7.821 19 HB THR 6 HB THR 6 66.969 -14.808 -7.026 20 HG1 THR 6 HG1 THR 6 68.732 -16.968 -6.633 21 1HG2 THR 6 1HG2 THR 6 65.696 -16.046 -5.321 22 2HG2 THR 6 2HG2 THR 6 67.317 -15.603 -4.788 23 3HG2 THR 6 3HG2 THR 6 66.975 -17.260 -5.284 24 H SER 7 HN SER 7 64.974 -15.361 -9.707 25 HA SER 7 HA SER 7 67.130 -15.522 -11.708 26 1HB SER 7 HB2 SER 7 64.804 -16.612 -12.130 27 2HB SER 7 HB1 SER 7 64.265 -14.957 -12.411 28 HG SER 7 HG SER 7 65.430 -16.530 -14.131 29 H SER 8 HN SER 8 64.315 -13.436 -11.021 30 HA SER 8 HA SER 8 66.008 -11.117 -11.678 31 1HB SER 8 HB2 SER 8 63.050 -10.821 -11.609 32 2HB SER 8 HB1 SER 8 64.231 -10.096 -12.696 33 HG SER 8 HG SER 8 62.910 -12.534 -12.870 34 H ARG 9 HN ARG 9 62.971 -11.485 -9.846 35 HA ARG 9 HA ARG 9 62.333 -10.727 -7.797 36 1HB ARG 9 HB2 ARG 9 64.924 -11.878 -7.438 37 2HB ARG 9 HB1 ARG 9 64.818 -10.444 -6.428 38 1HG ARG 9 HG2 ARG 9 62.421 -11.661 -5.939 39 2HG ARG 9 HG1 ARG 9 63.503 -13.038 -6.157 40 1HD ARG 9 HD2 ARG 9 64.599 -10.883 -4.502 41 2HD ARG 9 HD1 ARG 9 63.167 -11.655 -3.827 42 HE ARG 9 HE ARG 9 64.478 -13.807 -4.256 43 1HH1 ARG 9 1HH1 ARG 9 65.963 -10.760 -3.385 44 2HH1 ARG 9 2HH1 ARG 9 67.336 -11.507 -2.642 45 1HH2 ARG 9 1HH2 ARG 9 66.282 -14.775 -3.268 46 2HH2 ARG 9 2HH2 ARG 9 67.516 -13.779 -2.574 47 H TYR 10 HN TYR 10 63.454 -9.041 -5.963 48 HA TYR 10 HA TYR 10 63.310 -6.513 -7.363 49 1HB TYR 10 HB2 TYR 10 62.973 -7.508 -4.600 50 2HB TYR 10 HB1 TYR 10 63.569 -5.864 -4.760 51 HD1 TYR 10 HD1 TYR 10 61.904 -4.260 -4.589 52 HD2 TYR 10 HD2 TYR 10 61.017 -7.971 -6.468 53 HE1 TYR 10 HE1 TYR 10 59.619 -3.477 -5.035 54 HE2 TYR 10 HE2 TYR 10 58.720 -7.200 -6.916 55 HH TYR 10 HH TYR 10 57.540 -4.977 -7.181 56 H LYS 11 HN LYS 11 64.812 -4.929 -5.634 57 HA LYS 11 HA LYS 11 67.360 -5.175 -6.793 58 1HB LYS 11 HB2 LYS 11 66.633 -3.348 -4.524 59 2HB LYS 11 HB1 LYS 11 67.860 -3.107 -5.762 60 1HG LYS 11 HG2 LYS 11 65.793 -3.249 -7.382 61 2HG LYS 11 HG1 LYS 11 64.909 -2.775 -5.923 62 1HD LYS 11 HD2 LYS 11 65.700 -0.680 -5.987 63 2HD LYS 11 HD1 LYS 11 67.338 -1.211 -6.366 64 1HE LYS 11 HE2 LYS 11 66.395 -1.681 -8.720 65 2HE LYS 11 HE1 LYS 11 65.056 -0.647 -8.224 66 1HZ LYS 11 HZ1 LYS 11 66.935 0.484 -9.417 67 2HZ LYS 11 HZ2 LYS 11 67.885 0.211 -8.046 68 3HZ LYS 11 HZ3 LYS 11 66.499 1.174 -7.935 69 H THR 12 HN THR 12 69.081 -4.321 -4.832 70 HA THR 12 HA THR 12 69.211 -6.595 -2.964 71 HB THR 12 HB THR 12 70.735 -7.120 -4.705 72 HG1 THR 12 HG1 THR 12 72.839 -6.474 -3.463 73 1HG2 THR 12 1HG2 THR 12 71.072 -4.298 -4.926 74 2HG2 THR 12 2HG2 THR 12 71.583 -5.574 -6.030 75 3HG2 THR 12 3HG2 THR 12 72.646 -5.065 -4.719 76 H GLU 13 HN GLU 13 68.277 -3.970 -2.343 77 HA GLU 13 HA GLU 13 70.377 -2.998 -0.599 78 1HB GLU 13 HB2 GLU 13 68.550 -1.654 -2.420 79 2HB GLU 13 HB1 GLU 13 68.588 -0.958 -0.820 80 1HG GLU 13 HG2 GLU 13 70.754 -0.252 -1.012 81 2HG GLU 13 HG1 GLU 13 71.166 -1.515 -2.170 82 H LEU 14 HN LEU 14 69.056 -1.421 1.175 83 HA LEU 14 HA LEU 14 66.702 -2.763 2.183 84 1HB LEU 14 HB2 LEU 14 67.849 -3.074 4.463 85 2HB LEU 14 HB1 LEU 14 68.114 -4.275 3.210 86 HG LEU 14 HG LEU 14 70.136 -3.560 4.585 87 1HD1 LEU 14 1HD1 LEU 14 71.294 -4.441 2.938 88 2HD1 LEU 14 2HD1 LEU 14 71.077 -3.001 1.952 89 3HD1 LEU 14 3HD1 LEU 14 69.877 -4.280 1.906 90 1HD2 LEU 14 1HD2 LEU 14 71.218 -1.511 4.065 91 2HD2 LEU 14 2HD2 LEU 14 69.549 -1.135 4.491 92 3HD2 LEU 14 3HD2 LEU 14 70.047 -1.143 2.802 93 H CYS 15 HN CYS 15 65.639 -1.703 3.840 94 HA CYS 15 HA CYS 15 66.003 1.104 3.953 95 1HB CYS 15 HB2 CYS 15 63.760 -0.055 3.936 96 2HB CYS 15 HB1 CYS 15 64.100 -0.635 5.561 97 H ARG 16 HN ARG 16 68.072 1.400 4.970 98 HA ARG 16 HA ARG 16 68.654 0.178 7.477 99 1HB ARG 16 HB2 ARG 16 70.058 1.901 5.524 100 2HB ARG 16 HB1 ARG 16 70.502 2.168 7.205 101 1HG ARG 16 HG2 ARG 16 70.993 -0.214 7.475 102 2HG ARG 16 HG1 ARG 16 70.619 -0.464 5.774 103 1HD ARG 16 HD2 ARG 16 73.062 -0.222 6.331 104 2HD ARG 16 HD1 ARG 16 72.455 0.866 5.081 105 HE ARG 16 HE ARG 16 72.372 1.997 7.715 106 1HH1 ARG 16 1HH1 ARG 16 74.369 1.471 4.905 107 2HH1 ARG 16 2HH1 ARG 16 75.424 2.798 5.255 108 1HH2 ARG 16 1HH2 ARG 16 73.747 3.739 8.174 109 2HH2 ARG 16 2HH2 ARG 16 75.070 4.089 7.115 110 H THR 17 HN THR 17 69.440 3.539 7.244 111 HA THR 17 HA THR 17 68.276 4.134 9.760 112 HB THR 17 HB THR 17 70.384 5.170 8.942 113 HG1 THR 17 HG1 THR 17 69.854 7.275 9.634 114 1HG2 THR 17 1HG2 THR 17 70.167 7.139 7.421 115 2HG2 THR 17 2HG2 THR 17 68.552 6.563 7.008 116 3HG2 THR 17 3HG2 THR 17 69.963 5.570 6.642 117 H TYR 18 HN TYR 18 67.334 4.329 6.519 118 HA TYR 18 HA TYR 18 65.554 6.357 6.264 119 1HB TYR 18 HB2 TYR 18 65.665 3.540 5.220 120 2HB TYR 18 HB1 TYR 18 64.452 4.677 4.672 121 HD1 TYR 18 HD1 TYR 18 64.998 5.082 2.470 122 HD2 TYR 18 HD2 TYR 18 68.085 5.280 5.354 123 HE1 TYR 18 HE1 TYR 18 66.495 6.036 0.792 124 HE2 TYR 18 HE2 TYR 18 69.616 6.166 3.677 125 HH TYR 18 HH TYR 18 69.505 7.387 1.562 126 H SER 19 HN SER 19 64.903 3.054 7.386 127 HA SER 19 HA SER 19 62.227 3.041 7.773 128 1HB SER 19 HB2 SER 19 62.658 1.415 9.639 129 2HB SER 19 HB1 SER 19 63.521 1.058 8.143 130 HG SER 19 HG SER 19 64.915 0.902 9.924 131 H GLU 20 HN GLU 20 64.370 5.051 9.468 132 HA GLU 20 HA GLU 20 62.512 5.416 11.676 133 1HB GLU 20 HB2 GLU 20 65.366 5.585 11.413 134 2HB GLU 20 HB1 GLU 20 64.733 7.114 12.017 135 1HG GLU 20 HG2 GLU 20 63.329 5.285 13.466 136 2HG GLU 20 HG1 GLU 20 64.911 4.510 13.308 137 H SER 21 HN SER 21 61.815 6.238 9.116 138 HA SER 21 HA SER 21 60.683 7.946 8.119 139 1HB SER 21 HB2 SER 21 61.092 9.066 10.868 140 2HB SER 21 HB1 SER 21 60.444 10.101 9.597 141 HG SER 21 HG SER 21 58.975 8.703 11.007 142 H GLY 22 HN GLY 22 63.766 7.759 8.209 143 1HA GLY 22 HA2 GLY 22 64.817 10.333 7.950 144 2HA GLY 22 HA1 GLY 22 65.548 8.874 7.306 145 H ARG 23 HN ARG 23 65.048 8.236 5.233 146 HA ARG 23 HA ARG 23 64.032 10.363 3.489 147 1HB ARG 23 HB2 ARG 23 66.446 9.758 3.288 148 2HB ARG 23 HB1 ARG 23 65.932 8.169 2.780 149 1HG ARG 23 HG2 ARG 23 64.593 10.066 1.165 150 2HG ARG 23 HG1 ARG 23 66.308 10.479 1.205 151 1HD ARG 23 HD2 ARG 23 66.901 8.234 0.498 152 2HD ARG 23 HD1 ARG 23 65.209 7.734 0.552 153 HE ARG 23 HE ARG 23 64.883 8.738 -1.477 154 1HH1 ARG 23 1HH1 ARG 23 67.928 9.808 -0.151 155 2HH1 ARG 23 2HH1 ARG 23 68.381 10.687 -1.575 156 1HH2 ARG 23 1HH2 ARG 23 65.471 9.893 -3.344 157 2HH2 ARG 23 2HH2 ARG 23 66.982 10.737 -3.387 158 H CYS 24 HN CYS 24 64.551 6.943 3.385 159 HA CYS 24 HA CYS 24 63.382 5.182 2.587 160 1HB CYS 24 HB2 CYS 24 61.227 6.973 3.526 161 2HB CYS 24 HB1 CYS 24 60.757 5.643 2.477 162 H ARG 25 HN ARG 25 64.433 5.547 0.608 163 HA ARG 25 HA ARG 25 63.699 7.141 -1.483 164 1HB ARG 25 HB2 ARG 25 65.749 5.848 -1.405 165 2HB ARG 25 HB1 ARG 25 64.842 4.363 -1.540 166 1HG ARG 25 HG2 ARG 25 65.355 4.498 -3.708 167 2HG ARG 25 HG1 ARG 25 64.039 5.680 -3.783 168 1HD ARG 25 HD2 ARG 25 65.568 7.114 -4.564 169 2HD ARG 25 HD1 ARG 25 66.198 7.168 -2.918 170 HE ARG 25 HE ARG 25 67.270 5.005 -4.475 171 1HH1 ARG 25 1HH1 ARG 25 67.602 8.387 -3.679 172 2HH1 ARG 25 2HH1 ARG 25 69.281 8.451 -4.100 173 1HH2 ARG 25 1HH2 ARG 25 69.485 5.090 -5.027 174 2HH2 ARG 25 2HH2 ARG 25 70.348 6.583 -4.864 175 H TYR 26 HN TYR 26 62.009 4.438 -0.301 176 HA TYR 26 HA TYR 26 59.961 4.710 -2.388 177 1HB TYR 26 HB2 TYR 26 61.062 2.110 -1.291 178 2HB TYR 26 HB1 TYR 26 59.583 2.225 -2.232 179 HD1 TYR 26 HD1 TYR 26 60.728 4.339 -4.209 180 HD2 TYR 26 HD2 TYR 26 62.178 0.608 -2.756 181 HE1 TYR 26 HE1 TYR 26 62.021 4.040 -6.279 182 HE2 TYR 26 HE2 TYR 26 63.482 0.310 -4.818 183 HH TYR 26 HH TYR 26 62.977 1.698 -7.536 184 H GLY 27 HN GLY 27 59.845 6.030 -0.016 185 1HA GLY 27 HA2 GLY 27 58.947 5.010 2.293 186 2HA GLY 27 HA1 GLY 27 58.211 6.433 1.580 187 H ALA 28 HN ALA 28 57.558 3.588 2.931 188 HA ALA 28 HA ALA 28 55.587 2.509 3.272 189 1HB ALA 28 HB1 ALA 28 54.403 3.975 0.934 190 2HB ALA 28 HB2 ALA 28 54.467 4.636 2.566 191 3HB ALA 28 HB3 ALA 28 53.552 3.164 2.247 192 H LYS 29 HN LYS 29 57.028 2.658 0.165 193 HA LYS 29 HA LYS 29 56.015 0.027 -0.481 194 1HB LYS 29 HB2 LYS 29 55.546 2.121 -1.952 195 2HB LYS 29 HB1 LYS 29 57.206 1.889 -2.480 196 1HG LYS 29 HG2 LYS 29 56.744 -0.082 -3.532 197 2HG LYS 29 HG1 LYS 29 55.327 -0.395 -2.528 198 1HD LYS 29 HD2 LYS 29 54.808 0.228 -4.902 199 2HD LYS 29 HD1 LYS 29 54.045 1.251 -3.683 200 1HE LYS 29 HE2 LYS 29 56.281 2.659 -4.046 201 2HE LYS 29 HE1 LYS 29 56.195 1.884 -5.628 202 1HZ LYS 29 HZ1 LYS 29 54.946 4.157 -5.021 203 2HZ LYS 29 HZ2 LYS 29 53.716 3.048 -4.675 204 3HZ LYS 29 HZ3 LYS 29 54.408 3.088 -6.218 205 H CYS 30 HN CYS 30 58.607 1.331 0.877 206 HA CYS 30 HA CYS 30 60.690 0.449 -0.809 207 1HB CYS 30 HB2 CYS 30 62.177 0.779 1.149 208 2HB CYS 30 HB1 CYS 30 61.200 2.180 0.697 209 H GLN 31 HN GLN 31 61.737 -1.284 -0.998 210 HA GLN 31 HA GLN 31 61.394 -3.504 0.859 211 1HB GLN 31 HB2 GLN 31 60.439 -3.340 -1.792 212 2HB GLN 31 HB1 GLN 31 61.750 -4.514 -1.771 213 1HG GLN 31 HG2 GLN 31 60.336 -5.263 0.407 214 2HG GLN 31 HG1 GLN 31 59.060 -4.644 -0.642 215 1HE2 GLN 31 1HE2 GLN 31 58.903 -5.541 -2.797 216 2HE2 GLN 31 2HE2 GLN 31 59.398 -7.182 -3.077 217 H PHE 32 HN PHE 32 63.394 -1.554 -1.077 218 HA PHE 32 HA PHE 32 65.748 -2.907 -0.124 219 1HB PHE 32 HB2 PHE 32 65.050 -2.830 -3.040 220 2HB PHE 32 HB1 PHE 32 66.685 -3.103 -2.454 221 HD1 PHE 32 HD1 PHE 32 63.355 -4.469 -2.827 222 HD2 PHE 32 HD2 PHE 32 67.266 -5.151 -1.319 223 HE1 PHE 32 HE1 PHE 32 62.871 -6.887 -2.691 224 HE2 PHE 32 HE2 PHE 32 66.796 -7.571 -1.166 225 HZ PHE 32 HZ PHE 32 64.594 -8.438 -1.860 226 H ALA 33 HN ALA 33 65.441 -0.929 -3.034 227 HA ALA 33 HA ALA 33 67.581 0.656 -2.761 228 1HB ALA 33 HB1 ALA 33 66.777 1.771 -4.517 229 2HB ALA 33 HB2 ALA 33 65.304 2.238 -3.667 230 3HB ALA 33 HB3 ALA 33 65.418 0.651 -4.426 231 H HIS 34 HN HIS 34 68.319 1.681 -1.058 232 HA HIS 34 HA HIS 34 66.977 3.928 0.094 233 1HB HIS 34 HB2 HIS 34 66.787 1.262 1.360 234 2HB HIS 34 HB1 HIS 34 67.275 2.552 2.437 235 HD1 HIS 34 HD1 HIS 34 64.571 3.125 -0.173 236 HD2 HIS 34 HD2 HIS 34 65.142 2.549 3.863 237 HE1 HIS 34 HE1 HIS 34 62.342 3.600 0.962 238 H GLY 35 HN GLY 35 68.546 3.438 2.715 239 1HA GLY 35 HA2 GLY 35 70.983 4.654 1.994 240 2HA GLY 35 HA1 GLY 35 70.553 3.989 3.578 241 H LEU 36 HN LEU 36 72.254 3.426 0.648 242 HA LEU 36 HA LEU 36 73.698 1.785 0.003 243 1HB LEU 36 HB2 LEU 36 74.486 2.546 2.371 244 2HB LEU 36 HB1 LEU 36 73.867 0.993 2.892 245 HG LEU 36 HG LEU 36 75.761 0.968 0.611 246 1HD1 LEU 36 1HD1 LEU 36 77.669 1.438 1.823 247 2HD1 LEU 36 2HD1 LEU 36 76.870 1.184 3.376 248 3HD1 LEU 36 3HD1 LEU 36 76.540 2.644 2.442 249 1HD2 LEU 36 1HD2 LEU 36 75.620 -1.196 1.129 250 2HD2 LEU 36 2HD2 LEU 36 74.688 -0.834 2.585 251 3HD2 LEU 36 3HD2 LEU 36 76.450 -0.839 2.644 252 H GLY 37 HN GLY 37 74.074 -0.622 0.130 253 1HA GLY 37 HA2 GLY 37 72.228 -2.341 1.299 254 2HA GLY 37 HA1 GLY 37 71.728 -1.992 -0.344 255 H GLU 38 HN GLU 38 72.713 -2.954 -1.989 256 HA GLU 38 HA GLU 38 73.859 -4.579 -3.066 257 1HB GLU 38 HB2 GLU 38 75.978 -3.396 -1.310 258 2HB GLU 38 HB1 GLU 38 76.334 -4.557 -2.581 259 1HG GLU 38 HG2 GLU 38 75.172 -2.947 -4.162 260 2HG GLU 38 HG1 GLU 38 75.245 -1.777 -2.846 261 H LEU 39 HN LEU 39 72.592 -5.390 -0.381 262 HA LEU 39 HA LEU 39 74.020 -7.094 1.143 263 1HB LEU 39 HB2 LEU 39 71.339 -7.721 -0.073 264 2HB LEU 39 HB1 LEU 39 72.045 -8.594 1.272 265 HG LEU 39 HG LEU 39 71.755 -5.666 1.574 266 1HD1 LEU 39 1HD1 LEU 39 69.625 -6.063 0.644 267 2HD1 LEU 39 2HD1 LEU 39 69.387 -6.079 2.392 268 3HD1 LEU 39 3HD1 LEU 39 69.452 -7.596 1.497 269 1HD2 LEU 39 1HD2 LEU 39 71.600 -6.169 3.834 270 2HD2 LEU 39 2HD2 LEU 39 72.696 -7.416 3.241 271 3HD2 LEU 39 3HD2 LEU 39 70.999 -7.799 3.532 272 H ARG 40 HN ARG 40 72.862 -7.795 -2.052 273 HA ARG 40 HA ARG 40 74.357 -10.307 -2.129 274 1HB ARG 40 HB2 ARG 40 73.003 -10.980 -3.909 275 2HB ARG 40 HB1 ARG 40 71.911 -10.116 -2.837 276 1HG ARG 40 HG2 ARG 40 71.293 -8.894 -4.564 277 2HG ARG 40 HG1 ARG 40 72.906 -8.180 -4.573 278 1HD ARG 40 HD2 ARG 40 73.315 -9.118 -6.540 279 2HD ARG 40 HD1 ARG 40 73.059 -10.713 -5.839 280 HE ARG 40 HE ARG 40 71.077 -9.096 -7.267 281 1HH1 ARG 40 1HH1 ARG 40 71.935 -12.117 -5.723 282 2HH1 ARG 40 2HH1 ARG 40 70.553 -12.957 -6.337 283 1HH2 ARG 40 1HH2 ARG 40 69.265 -10.212 -8.064 284 2HH2 ARG 40 2HH2 ARG 40 69.040 -11.880 -7.658 285 H GLN 41 HN GLN 41 75.820 -7.837 -2.189 286 HA GLN 41 HA GLN 41 77.433 -8.321 -4.471 287 1HB GLN 41 HB2 GLN 41 75.879 -5.742 -4.298 288 2HB GLN 41 HB1 GLN 41 77.316 -5.934 -5.289 289 1HG GLN 41 HG2 GLN 41 76.149 -7.777 -6.496 290 2HG GLN 41 HG1 GLN 41 74.693 -7.370 -5.586 291 1HE2 GLN 41 1HE2 GLN 41 74.749 -4.664 -5.554 292 2HE2 GLN 41 2HE2 GLN 41 74.604 -4.043 -7.161 293 H ALA 42 HN ALA 42 78.313 -8.669 -2.083 294 HA ALA 42 HA ALA 42 79.151 -6.687 -0.420 295 1HB ALA 42 HB1 ALA 42 81.278 -8.613 -0.800 296 2HB ALA 42 HB2 ALA 42 79.693 -9.383 -0.713 297 3HB ALA 42 HB3 ALA 42 80.237 -8.336 0.599 298 H ASN 43 HN ASN 43 80.812 -5.243 -0.270 299 HA ASN 43 HA ASN 43 82.495 -4.906 -2.668 300 1HB ASN 43 HB2 ASN 43 80.848 -2.971 -1.156 301 2HB ASN 43 HB1 ASN 43 82.455 -2.408 -1.602 302 1HD2 ASN 43 1HD2 ASN 43 80.016 -4.429 -3.196 303 2HD2 ASN 43 2HD2 ASN 43 79.963 -3.509 -4.658 Start of MODEL 6 1 H MET 4 HT1 MET 4 70.808 -8.980 -15.588 2 HA MET 4 HA MET 4 72.529 -8.957 -14.295 3 1HB MET 4 HB2 MET 4 74.123 -7.062 -14.307 4 2HB MET 4 HB1 MET 4 73.693 -7.595 -15.926 5 1HG MET 4 HG2 MET 4 71.946 -5.491 -14.972 6 2HG MET 4 HG1 MET 4 73.641 -5.008 -14.962 7 1HE MET 4 HE1 MET 4 71.270 -3.703 -17.667 8 2HE MET 4 HE2 MET 4 70.694 -4.777 -16.390 9 3HE MET 4 HE3 MET 4 70.651 -5.304 -18.072 10 H THR 5 HN THR 5 69.988 -8.330 -13.268 11 HA THR 5 HA THR 5 70.766 -7.183 -10.732 12 HB THR 5 HB THR 5 68.505 -5.763 -10.940 13 HG1 THR 5 HG1 THR 5 68.453 -4.830 -13.036 14 1HG2 THR 5 1HG2 THR 5 69.770 -3.903 -10.908 15 2HG2 THR 5 2HG2 THR 5 70.746 -4.410 -12.287 16 3HG2 THR 5 3HG2 THR 5 71.074 -5.070 -10.686 17 H THR 6 HN THR 6 70.209 -9.743 -11.167 18 HA THR 6 HA THR 6 68.896 -11.512 -10.619 19 HB THR 6 HB THR 6 67.846 -11.412 -8.522 20 HG1 THR 6 HG1 THR 6 67.520 -8.630 -8.959 21 1HG2 THR 6 1HG2 THR 6 70.334 -10.299 -8.765 22 2HG2 THR 6 2HG2 THR 6 69.551 -10.771 -7.259 23 3HG2 THR 6 3HG2 THR 6 69.454 -9.101 -7.816 24 H SER 7 HN SER 7 67.614 -12.060 -12.281 25 HA SER 7 HA SER 7 65.497 -10.552 -13.315 26 1HB SER 7 HB2 SER 7 64.714 -12.909 -14.147 27 2HB SER 7 HB1 SER 7 66.231 -12.242 -14.750 28 HG SER 7 HG SER 7 66.316 -13.788 -12.426 29 H SER 8 HN SER 8 63.348 -10.419 -12.853 30 HA SER 8 HA SER 8 61.375 -10.658 -11.736 31 1HB SER 8 HB2 SER 8 62.225 -13.078 -10.236 32 2HB SER 8 HB1 SER 8 60.716 -12.752 -11.087 33 HG SER 8 HG SER 8 62.088 -12.928 -13.053 34 H ARG 9 HN ARG 9 63.828 -11.963 -9.496 35 HA ARG 9 HA ARG 9 62.877 -11.035 -7.121 36 1HB ARG 9 HB2 ARG 9 65.223 -12.191 -7.956 37 2HB ARG 9 HB1 ARG 9 65.775 -10.627 -7.376 38 1HG ARG 9 HG2 ARG 9 63.912 -11.879 -5.538 39 2HG ARG 9 HG1 ARG 9 65.325 -12.885 -5.855 40 1HD ARG 9 HD2 ARG 9 66.177 -10.187 -5.493 41 2HD ARG 9 HD1 ARG 9 65.117 -10.629 -4.159 42 HE ARG 9 HE ARG 9 66.611 -12.544 -3.770 43 1HH1 ARG 9 1HH1 ARG 9 67.851 -9.846 -5.626 44 2HH1 ARG 9 2HH1 ARG 9 69.501 -10.192 -5.243 45 1HH2 ARG 9 1HH2 ARG 9 68.782 -12.985 -3.277 46 2HH2 ARG 9 2HH2 ARG 9 70.031 -11.968 -3.915 47 H TYR 10 HN TYR 10 63.555 -9.235 -5.739 48 HA TYR 10 HA TYR 10 63.244 -6.732 -7.117 49 1HB TYR 10 HB2 TYR 10 63.113 -7.741 -4.341 50 2HB TYR 10 HB1 TYR 10 63.564 -6.057 -4.531 51 HD1 TYR 10 HD1 TYR 10 61.771 -4.600 -4.252 52 HD2 TYR 10 HD2 TYR 10 61.137 -8.361 -6.146 53 HE1 TYR 10 HE1 TYR 10 59.412 -4.014 -4.606 54 HE2 TYR 10 HE2 TYR 10 58.766 -7.785 -6.500 55 HH TYR 10 HH TYR 10 57.269 -5.138 -4.976 56 H LYS 11 HN LYS 11 64.696 -5.034 -5.464 57 HA LYS 11 HA LYS 11 67.188 -5.065 -6.749 58 1HB LYS 11 HB2 LYS 11 66.515 -3.347 -4.385 59 2HB LYS 11 HB1 LYS 11 67.583 -2.983 -5.734 60 1HG LYS 11 HG2 LYS 11 65.336 -3.292 -7.109 61 2HG LYS 11 HG1 LYS 11 64.632 -2.824 -5.551 62 1HD LYS 11 HD2 LYS 11 64.991 -0.715 -6.206 63 2HD LYS 11 HD1 LYS 11 66.692 -1.026 -5.854 64 1HE LYS 11 HE2 LYS 11 65.386 -1.522 -8.523 65 2HE LYS 11 HE1 LYS 11 66.270 -0.052 -8.108 66 1HZ LYS 11 HZ1 LYS 11 68.072 -1.869 -7.454 67 2HZ LYS 11 HZ2 LYS 11 67.963 -1.214 -9.010 68 3HZ LYS 11 HZ3 LYS 11 67.275 -2.724 -8.677 69 H THR 12 HN THR 12 68.920 -4.101 -4.839 70 HA THR 12 HA THR 12 69.360 -6.418 -3.081 71 HB THR 12 HB THR 12 70.832 -6.627 -4.970 72 HG1 THR 12 HG1 THR 12 72.820 -5.732 -3.435 73 1HG2 THR 12 1HG2 THR 12 72.108 -3.996 -4.344 74 2HG2 THR 12 2HG2 THR 12 70.792 -4.131 -5.512 75 3HG2 THR 12 3HG2 THR 12 72.296 -5.011 -5.775 76 H GLU 13 HN GLU 13 68.187 -3.912 -2.319 77 HA GLU 13 HA GLU 13 70.242 -2.858 -0.571 78 1HB GLU 13 HB2 GLU 13 68.380 -1.538 -2.357 79 2HB GLU 13 HB1 GLU 13 68.307 -0.933 -0.719 80 1HG GLU 13 HG2 GLU 13 70.297 0.073 -0.848 81 2HG GLU 13 HG1 GLU 13 71.008 -1.258 -1.759 82 H LEU 14 HN LEU 14 68.734 -1.374 1.163 83 HA LEU 14 HA LEU 14 66.480 -2.836 2.134 84 1HB LEU 14 HB2 LEU 14 67.727 -3.218 4.403 85 2HB LEU 14 HB1 LEU 14 67.783 -4.407 3.120 86 HG LEU 14 HG LEU 14 69.943 -3.720 4.449 87 1HD1 LEU 14 1HD1 LEU 14 71.113 -3.930 2.012 88 2HD1 LEU 14 2HD1 LEU 14 69.513 -4.601 1.704 89 3HD1 LEU 14 3HD1 LEU 14 70.521 -5.282 2.975 90 1HD2 LEU 14 1HD2 LEU 14 69.434 -1.278 3.494 91 2HD2 LEU 14 2HD2 LEU 14 70.471 -1.884 2.222 92 3HD2 LEU 14 3HD2 LEU 14 71.040 -1.856 3.887 93 H CYS 15 HN CYS 15 65.307 -1.747 3.688 94 HA CYS 15 HA CYS 15 65.732 1.008 3.902 95 1HB CYS 15 HB2 CYS 15 63.492 -0.187 4.026 96 2HB CYS 15 HB1 CYS 15 63.921 -0.678 5.661 97 H ARG 16 HN ARG 16 67.893 1.209 4.748 98 HA ARG 16 HA ARG 16 68.535 0.090 7.307 99 1HB ARG 16 HB2 ARG 16 69.975 1.401 5.128 100 2HB ARG 16 HB1 ARG 16 70.481 1.976 6.707 101 1HG ARG 16 HG2 ARG 16 71.662 -0.068 5.617 102 2HG ARG 16 HG1 ARG 16 71.374 -0.001 7.352 103 1HD ARG 16 HD2 ARG 16 69.571 -1.504 7.218 104 2HD ARG 16 HD1 ARG 16 69.450 -1.330 5.469 105 HE ARG 16 HE ARG 16 71.819 -2.391 5.575 106 1HH1 ARG 16 1HH1 ARG 16 69.092 -3.216 7.605 107 2HH1 ARG 16 2HH1 ARG 16 69.614 -4.849 7.840 108 1HH2 ARG 16 1HH2 ARG 16 72.487 -4.535 5.882 109 2HH2 ARG 16 2HH2 ARG 16 71.536 -5.599 6.864 110 H THR 17 HN THR 17 69.599 3.340 6.815 111 HA THR 17 HA THR 17 68.651 4.175 9.339 112 HB THR 17 HB THR 17 70.708 5.108 8.453 113 HG1 THR 17 HG1 THR 17 68.773 7.172 8.452 114 1HG2 THR 17 1HG2 THR 17 70.947 6.329 6.520 115 2HG2 THR 17 2HG2 THR 17 69.225 6.697 6.412 116 3HG2 THR 17 3HG2 THR 17 69.810 5.079 6.021 117 H TYR 18 HN TYR 18 67.486 4.278 6.157 118 HA TYR 18 HA TYR 18 65.749 6.362 5.988 119 1HB TYR 18 HB2 TYR 18 65.704 3.522 4.997 120 2HB TYR 18 HB1 TYR 18 64.512 4.699 4.492 121 HD1 TYR 18 HD1 TYR 18 64.943 4.999 2.258 122 HD2 TYR 18 HD2 TYR 18 68.210 5.189 4.949 123 HE1 TYR 18 HE1 TYR 18 66.360 5.858 0.461 124 HE2 TYR 18 HE2 TYR 18 69.659 5.981 3.154 125 HH TYR 18 HH TYR 18 69.786 6.612 1.022 126 H SER 19 HN SER 19 65.061 3.070 7.135 127 HA SER 19 HA SER 19 62.429 3.197 7.765 128 1HB SER 19 HB2 SER 19 64.568 1.455 8.307 129 2HB SER 19 HB1 SER 19 63.776 1.753 9.854 130 HG SER 19 HG SER 19 62.501 0.229 9.103 131 H GLU 20 HN GLU 20 64.796 5.084 9.255 132 HA GLU 20 HA GLU 20 63.272 5.433 11.706 133 1HB GLU 20 HB2 GLU 20 66.013 5.517 11.104 134 2HB GLU 20 HB1 GLU 20 65.559 7.175 11.487 135 1HG GLU 20 HG2 GLU 20 64.408 6.212 13.523 136 2HG GLU 20 HG1 GLU 20 65.304 4.728 13.182 137 H SER 21 HN SER 21 62.263 6.267 9.173 138 HA SER 21 HA SER 21 60.993 7.963 8.330 139 1HB SER 21 HB2 SER 21 61.771 9.671 10.693 140 2HB SER 21 HB1 SER 21 60.293 9.736 9.733 141 HG SER 21 HG SER 21 60.251 8.648 11.894 142 H GLY 22 HN GLY 22 64.005 7.737 8.037 143 1HA GLY 22 HA2 GLY 22 65.033 10.339 7.719 144 2HA GLY 22 HA1 GLY 22 65.749 8.866 7.091 145 H ARG 23 HN ARG 23 65.281 8.213 5.055 146 HA ARG 23 HA ARG 23 64.119 10.240 3.295 147 1HB ARG 23 HB2 ARG 23 66.522 9.551 3.020 148 2HB ARG 23 HB1 ARG 23 65.919 7.984 2.541 149 1HG ARG 23 HG2 ARG 23 64.902 10.353 1.090 150 2HG ARG 23 HG1 ARG 23 66.553 9.819 0.772 151 1HD ARG 23 HD2 ARG 23 65.820 7.673 0.050 152 2HD ARG 23 HD1 ARG 23 64.198 7.953 0.672 153 HE ARG 23 HE ARG 23 65.299 8.928 -1.817 154 1HH1 ARG 23 1HH1 ARG 23 62.715 9.153 0.526 155 2HH1 ARG 23 2HH1 ARG 23 61.590 9.830 -0.599 156 1HH2 ARG 23 1HH2 ARG 23 63.816 9.817 -3.294 157 2HH2 ARG 23 2HH2 ARG 23 62.213 10.209 -2.767 158 H CYS 24 HN CYS 24 64.582 6.809 3.245 159 HA CYS 24 HA CYS 24 63.321 5.055 2.596 160 1HB CYS 24 HB2 CYS 24 61.299 6.924 3.637 161 2HB CYS 24 HB1 CYS 24 60.708 5.656 2.586 162 H ARG 25 HN ARG 25 64.263 5.368 0.505 163 HA ARG 25 HA ARG 25 63.410 6.945 -1.546 164 1HB ARG 25 HB2 ARG 25 65.410 5.608 -1.692 165 2HB ARG 25 HB1 ARG 25 64.476 4.139 -1.617 166 1HG ARG 25 HG2 ARG 25 65.074 4.343 -3.864 167 2HG ARG 25 HG1 ARG 25 63.391 4.890 -3.801 168 1HD ARG 25 HD2 ARG 25 64.093 7.194 -3.819 169 2HD ARG 25 HD1 ARG 25 65.788 6.720 -3.701 170 HE ARG 25 HE ARG 25 64.940 5.506 -5.972 171 1HH1 ARG 25 1HH1 ARG 25 64.842 8.792 -4.807 172 2HH1 ARG 25 2HH1 ARG 25 64.935 9.491 -6.388 173 1HH2 ARG 25 1HH2 ARG 25 65.062 6.423 -8.058 174 2HH2 ARG 25 2HH2 ARG 25 65.059 8.145 -8.235 175 H TYR 26 HN TYR 26 61.721 4.366 -0.179 176 HA TYR 26 HA TYR 26 59.465 4.717 -1.987 177 1HB TYR 26 HB2 TYR 26 60.453 2.004 -1.086 178 2HB TYR 26 HB1 TYR 26 59.042 2.293 -2.084 179 HD1 TYR 26 HD1 TYR 26 60.338 4.283 -4.007 180 HD2 TYR 26 HD2 TYR 26 61.657 0.555 -2.435 181 HE1 TYR 26 HE1 TYR 26 61.712 3.925 -6.018 182 HE2 TYR 26 HE2 TYR 26 63.034 0.195 -4.429 183 HH TYR 26 HH TYR 26 62.660 1.672 -7.224 184 H GLY 27 HN GLY 27 59.536 6.026 0.214 185 1HA GLY 27 HA2 GLY 27 59.208 5.170 2.714 186 2HA GLY 27 HA1 GLY 27 58.181 6.426 2.066 187 H ALA 28 HN ALA 28 56.661 4.623 0.308 188 HA ALA 28 HA ALA 28 55.175 3.212 2.418 189 1HB ALA 28 HB1 ALA 28 53.518 4.552 1.754 190 2HB ALA 28 HB2 ALA 28 53.392 3.467 0.369 191 3HB ALA 28 HB3 ALA 28 54.326 4.958 0.240 192 H LYS 29 HN LYS 29 56.903 2.784 -0.458 193 HA LYS 29 HA LYS 29 55.913 0.079 -0.760 194 1HB LYS 29 HB2 LYS 29 55.519 1.957 -2.540 195 2HB LYS 29 HB1 LYS 29 57.161 1.547 -3.006 196 1HG LYS 29 HG2 LYS 29 56.463 -0.220 -4.081 197 2HG LYS 29 HG1 LYS 29 55.684 -0.834 -2.628 198 1HD LYS 29 HD2 LYS 29 54.391 1.275 -4.327 199 2HD LYS 29 HD1 LYS 29 54.204 -0.442 -4.691 200 1HE LYS 29 HE2 LYS 29 53.689 0.495 -1.911 201 2HE LYS 29 HE1 LYS 29 52.482 0.835 -3.151 202 1HZ LYS 29 HZ1 LYS 29 52.445 -1.380 -1.765 203 2HZ LYS 29 HZ2 LYS 29 53.519 -1.893 -2.967 204 3HZ LYS 29 HZ3 LYS 29 51.975 -1.353 -3.391 205 H CYS 30 HN CYS 30 58.266 1.170 0.797 206 HA CYS 30 HA CYS 30 60.506 0.351 -0.800 207 1HB CYS 30 HB2 CYS 30 61.935 0.860 1.073 208 2HB CYS 30 HB1 CYS 30 60.826 2.185 0.700 209 H GLN 31 HN GLN 31 61.512 -1.401 -0.926 210 HA GLN 31 HA GLN 31 61.256 -3.488 1.087 211 1HB GLN 31 HB2 GLN 31 60.165 -3.562 -1.514 212 2HB GLN 31 HB1 GLN 31 61.505 -4.699 -1.469 213 1HG GLN 31 HG2 GLN 31 60.326 -5.396 0.799 214 2HG GLN 31 HG1 GLN 31 58.921 -4.735 -0.037 215 1HE2 GLN 31 1HE2 GLN 31 59.219 -5.452 -2.571 216 2HE2 GLN 31 2HE2 GLN 31 59.281 -7.179 -2.742 217 H PHE 32 HN PHE 32 63.160 -1.643 -1.028 218 HA PHE 32 HA PHE 32 65.559 -2.929 -0.106 219 1HB PHE 32 HB2 PHE 32 64.751 -3.002 -2.990 220 2HB PHE 32 HB1 PHE 32 66.423 -3.167 -2.472 221 HD1 PHE 32 HD1 PHE 32 63.139 -4.701 -2.566 222 HD2 PHE 32 HD2 PHE 32 67.185 -5.144 -1.351 223 HE1 PHE 32 HE1 PHE 32 62.795 -7.137 -2.329 224 HE2 PHE 32 HE2 PHE 32 66.857 -7.575 -1.098 225 HZ PHE 32 HZ PHE 32 64.657 -8.574 -1.594 226 H ALA 33 HN ALA 33 65.164 -1.089 -3.100 227 HA ALA 33 HA ALA 33 67.272 0.540 -2.965 228 1HB ALA 33 HB1 ALA 33 64.894 0.548 -4.432 229 2HB ALA 33 HB2 ALA 33 66.364 1.456 -4.766 230 3HB ALA 33 HB3 ALA 33 65.075 2.190 -3.813 231 H HIS 34 HN HIS 34 68.023 1.437 -1.167 232 HA HIS 34 HA HIS 34 66.718 3.751 -0.061 233 1HB HIS 34 HB2 HIS 34 66.532 1.095 1.215 234 2HB HIS 34 HB1 HIS 34 67.078 2.366 2.287 235 HD1 HIS 34 HD1 HIS 34 64.306 2.944 -0.254 236 HD2 HIS 34 HD2 HIS 34 64.988 2.492 3.782 237 HE1 HIS 34 HE1 HIS 34 62.131 3.514 0.939 238 H GLY 35 HN GLY 35 68.433 3.055 2.546 239 1HA GLY 35 HA2 GLY 35 70.771 4.427 1.803 240 2HA GLY 35 HA1 GLY 35 70.454 3.607 3.346 241 H LEU 36 HN LEU 36 72.747 3.121 3.140 242 HA LEU 36 HA LEU 36 74.014 1.586 1.290 243 1HB LEU 36 HB2 LEU 36 74.922 2.531 3.445 244 2HB LEU 36 HB1 LEU 36 74.269 1.121 4.255 245 HG LEU 36 HG LEU 36 76.128 0.753 1.945 246 1HD1 LEU 36 1HD1 LEU 36 76.834 2.304 4.150 247 2HD1 LEU 36 2HD1 LEU 36 77.921 1.556 2.981 248 3HD1 LEU 36 3HD1 LEU 36 77.515 0.707 4.472 249 1HD2 LEU 36 1HD2 LEU 36 76.231 -1.368 2.657 250 2HD2 LEU 36 2HD2 LEU 36 74.761 -0.977 3.552 251 3HD2 LEU 36 3HD2 LEU 36 76.332 -0.900 4.352 252 H GLY 37 HN GLY 37 73.479 -0.234 0.387 253 1HA GLY 37 HA2 GLY 37 72.680 -2.519 1.895 254 2HA GLY 37 HA1 GLY 37 71.422 -1.901 0.846 255 H GLU 38 HN GLU 38 74.476 -3.415 1.043 256 HA GLU 38 HA GLU 38 74.479 -3.884 -1.863 257 1HB GLU 38 HB2 GLU 38 76.746 -4.077 0.127 258 2HB GLU 38 HB1 GLU 38 76.882 -4.328 -1.606 259 1HG GLU 38 HG2 GLU 38 75.643 -1.801 -1.090 260 2HG GLU 38 HG1 GLU 38 77.150 -1.928 -0.184 261 H LEU 39 HN LEU 39 72.761 -5.442 -0.209 262 HA LEU 39 HA LEU 39 73.589 -7.786 0.822 263 1HB LEU 39 HB2 LEU 39 71.310 -7.518 -1.120 264 2HB LEU 39 HB1 LEU 39 71.534 -8.845 0.006 265 HG LEU 39 HG LEU 39 71.439 -6.114 1.146 266 1HD1 LEU 39 1HD1 LEU 39 68.834 -6.615 1.216 267 2HD1 LEU 39 2HD1 LEU 39 69.203 -7.391 -0.322 268 3HD1 LEU 39 3HD1 LEU 39 69.575 -5.684 -0.083 269 1HD2 LEU 39 1HD2 LEU 39 70.279 -7.270 2.943 270 2HD2 LEU 39 2HD2 LEU 39 71.786 -8.093 2.547 271 3HD2 LEU 39 3HD2 LEU 39 70.248 -8.753 1.988 272 H ARG 40 HN ARG 40 73.415 -7.092 -2.576 273 HA ARG 40 HA ARG 40 74.841 -9.592 -3.162 274 1HB ARG 40 HB2 ARG 40 73.841 -9.704 -5.276 275 2HB ARG 40 HB1 ARG 40 72.540 -9.234 -4.193 276 1HG ARG 40 HG2 ARG 40 72.112 -7.574 -5.581 277 2HG ARG 40 HG1 ARG 40 73.628 -6.836 -5.063 278 1HD ARG 40 HD2 ARG 40 74.575 -8.559 -6.875 279 2HD ARG 40 HD1 ARG 40 72.967 -8.301 -7.546 280 HE ARG 40 HE ARG 40 74.849 -6.097 -6.989 281 1HH1 ARG 40 1HH1 ARG 40 72.484 -7.641 -9.056 282 2HH1 ARG 40 2HH1 ARG 40 72.523 -6.379 -10.239 283 1HH2 ARG 40 1HH2 ARG 40 74.888 -4.448 -8.547 284 2HH2 ARG 40 2HH2 ARG 40 73.882 -4.570 -9.953 285 H GLN 41 HN GLN 41 76.227 -7.358 -2.230 286 HA GLN 41 HA GLN 41 78.088 -7.018 -4.366 287 1HB GLN 41 HB2 GLN 41 76.605 -4.672 -3.212 288 2HB GLN 41 HB1 GLN 41 78.147 -4.498 -4.035 289 1HG GLN 41 HG2 GLN 41 77.195 -5.361 -6.073 290 2HG GLN 41 HG1 GLN 41 75.665 -5.677 -5.254 291 1HE2 GLN 41 1HE2 GLN 41 77.432 -3.468 -7.055 292 2HE2 GLN 41 2HE2 GLN 41 76.418 -2.087 -6.838 293 H ALA 42 HN ALA 42 77.281 -7.007 -1.047 294 HA ALA 42 HA ALA 42 79.454 -5.724 0.093 295 1HB ALA 42 HB1 ALA 42 78.766 -7.851 1.794 296 2HB ALA 42 HB2 ALA 42 77.281 -7.370 0.972 297 3HB ALA 42 HB3 ALA 42 78.213 -6.178 1.877 298 H ASN 43 HN ASN 43 81.534 -6.162 -0.214 299 HA ASN 43 HA ASN 43 82.708 -8.619 0.438 300 1HB ASN 43 HB2 ASN 43 81.531 -8.839 -2.005 301 2HB ASN 43 HB1 ASN 43 83.140 -8.293 -2.464 302 1HD2 ASN 43 1HD2 ASN 43 84.830 -9.664 -2.321 303 2HD2 ASN 43 2HD2 ASN 43 84.700 -11.311 -1.816 Start of MODEL 7 1 H MET 4 HT1 MET 4 70.857 -18.862 -0.766 2 HA MET 4 HA MET 4 72.163 -20.248 -1.782 3 1HB MET 4 HB2 MET 4 69.946 -22.047 -1.056 4 2HB MET 4 HB1 MET 4 70.909 -22.596 -2.422 5 1HG MET 4 HG2 MET 4 72.493 -21.655 -0.156 6 2HG MET 4 HG1 MET 4 71.476 -23.049 0.203 7 1HE MET 4 HE1 MET 4 74.545 -22.757 -3.148 8 2HE MET 4 HE2 MET 4 73.289 -21.600 -2.715 9 3HE MET 4 HE3 MET 4 72.886 -23.014 -3.688 10 H THR 5 HN THR 5 69.193 -21.477 -3.289 11 HA THR 5 HA THR 5 70.224 -20.585 -5.883 12 HB THR 5 HB THR 5 67.794 -22.291 -5.687 13 HG1 THR 5 HG1 THR 5 68.799 -23.648 -4.451 14 1HG2 THR 5 1HG2 THR 5 68.273 -22.426 -7.849 15 2HG2 THR 5 2HG2 THR 5 69.607 -23.478 -7.379 16 3HG2 THR 5 3HG2 THR 5 69.887 -21.752 -7.617 17 H THR 6 HN THR 6 69.634 -18.376 -5.598 18 HA THR 6 HA THR 6 66.771 -17.792 -5.448 19 HB THR 6 HB THR 6 67.505 -15.431 -5.240 20 HG1 THR 6 HG1 THR 6 69.449 -15.511 -6.354 21 1HG2 THR 6 1HG2 THR 6 67.463 -15.869 -3.074 22 2HG2 THR 6 2HG2 THR 6 69.197 -16.178 -3.167 23 3HG2 THR 6 3HG2 THR 6 68.055 -17.511 -3.335 24 H SER 7 HN SER 7 65.733 -17.873 -7.336 25 HA SER 7 HA SER 7 67.084 -17.346 -9.831 26 1HB SER 7 HB2 SER 7 64.110 -17.666 -9.589 27 2HB SER 7 HB1 SER 7 65.182 -18.189 -10.887 28 HG SER 7 HG SER 7 66.069 -19.569 -8.992 29 H SER 8 HN SER 8 67.556 -15.274 -10.252 30 HA SER 8 HA SER 8 67.210 -13.107 -10.878 31 1HB SER 8 HB2 SER 8 64.280 -13.329 -10.228 32 2HB SER 8 HB1 SER 8 65.069 -12.328 -11.446 33 HG SER 8 HG SER 8 65.571 -14.285 -12.568 34 H ARG 9 HN ARG 9 64.811 -13.696 -8.300 35 HA ARG 9 HA ARG 9 64.533 -12.771 -6.239 36 1HB ARG 9 HB2 ARG 9 66.766 -13.619 -5.765 37 2HB ARG 9 HB1 ARG 9 67.490 -12.207 -6.519 38 1HG ARG 9 HG2 ARG 9 67.592 -12.033 -4.110 39 2HG ARG 9 HG1 ARG 9 66.540 -10.783 -4.772 40 1HD ARG 9 HD2 ARG 9 64.971 -11.459 -3.346 41 2HD ARG 9 HD1 ARG 9 64.865 -12.960 -4.269 42 HE ARG 9 HE ARG 9 66.962 -12.938 -2.297 43 1HH1 ARG 9 1HH1 ARG 9 63.588 -13.608 -2.892 44 2HH1 ARG 9 2HH1 ARG 9 63.440 -14.694 -1.552 45 1HH2 ARG 9 1HH2 ARG 9 66.766 -14.363 -0.532 46 2HH2 ARG 9 2HH2 ARG 9 65.242 -15.122 -0.212 47 H TYR 10 HN TYR 10 64.397 -10.723 -5.096 48 HA TYR 10 HA TYR 10 63.719 -8.594 -6.824 49 1HB TYR 10 HB2 TYR 10 63.708 -9.141 -3.909 50 2HB TYR 10 HB1 TYR 10 63.655 -7.468 -4.408 51 HD1 TYR 10 HD1 TYR 10 61.507 -6.577 -4.373 52 HD2 TYR 10 HD2 TYR 10 62.084 -10.624 -5.563 53 HE1 TYR 10 HE1 TYR 10 59.092 -6.802 -4.763 54 HE2 TYR 10 HE2 TYR 10 59.665 -10.856 -5.958 55 HH TYR 10 HH TYR 10 57.547 -8.173 -6.021 56 H LYS 11 HN LYS 11 64.584 -6.350 -5.430 57 HA LYS 11 HA LYS 11 66.978 -5.794 -6.685 58 1HB LYS 11 HB2 LYS 11 66.104 -4.231 -4.287 59 2HB LYS 11 HB1 LYS 11 66.834 -3.660 -5.780 60 1HG LYS 11 HG2 LYS 11 64.539 -4.688 -6.743 61 2HG LYS 11 HG1 LYS 11 64.017 -4.183 -5.124 62 1HD LYS 11 HD2 LYS 11 63.688 -2.197 -6.156 63 2HD LYS 11 HD1 LYS 11 65.422 -2.002 -5.874 64 1HE LYS 11 HE2 LYS 11 65.436 -3.364 -8.214 65 2HE LYS 11 HE1 LYS 11 63.941 -2.445 -8.381 66 1HZ LYS 11 HZ1 LYS 11 66.199 -1.435 -9.139 67 2HZ LYS 11 HZ2 LYS 11 66.375 -1.058 -7.500 68 3HZ LYS 11 HZ3 LYS 11 65.052 -0.460 -8.366 69 H THR 12 HN THR 12 68.537 -4.424 -4.942 70 HA THR 12 HA THR 12 69.810 -6.573 -3.387 71 HB THR 12 HB THR 12 71.714 -4.668 -3.745 72 HG1 THR 12 HG1 THR 12 70.810 -3.354 -5.148 73 1HG2 THR 12 1HG2 THR 12 72.516 -6.668 -4.356 74 2HG2 THR 12 2HG2 THR 12 72.154 -6.060 -5.971 75 3HG2 THR 12 3HG2 THR 12 71.023 -7.144 -5.161 76 H GLU 13 HN GLU 13 68.625 -3.296 -3.227 77 HA GLU 13 HA GLU 13 69.986 -2.664 -0.841 78 1HB GLU 13 HB2 GLU 13 68.291 -1.303 -2.742 79 2HB GLU 13 HB1 GLU 13 68.018 -0.786 -1.090 80 1HG GLU 13 HG2 GLU 13 69.976 0.287 -0.970 81 2HG GLU 13 HG1 GLU 13 70.837 -0.998 -1.821 82 H LEU 14 HN LEU 14 68.421 -1.379 0.831 83 HA LEU 14 HA LEU 14 66.053 -2.747 1.617 84 1HB LEU 14 HB2 LEU 14 67.250 -3.336 3.907 85 2HB LEU 14 HB1 LEU 14 67.145 -4.475 2.583 86 HG LEU 14 HG LEU 14 69.390 -4.148 3.864 87 1HD1 LEU 14 1HD1 LEU 14 70.065 -4.097 1.053 88 2HD1 LEU 14 2HD1 LEU 14 68.691 -5.140 1.396 89 3HD1 LEU 14 3HD1 LEU 14 70.219 -5.391 2.237 90 1HD2 LEU 14 1HD2 LEU 14 69.897 -2.068 1.781 91 2HD2 LEU 14 2HD2 LEU 14 70.796 -2.425 3.251 92 3HD2 LEU 14 3HD2 LEU 14 69.241 -1.604 3.347 93 H CYS 15 HN CYS 15 65.033 -1.783 3.437 94 HA CYS 15 HA CYS 15 65.618 0.950 3.777 95 1HB CYS 15 HB2 CYS 15 63.312 -0.143 3.856 96 2HB CYS 15 HB1 CYS 15 63.727 -0.693 5.477 97 H ARG 16 HN ARG 16 67.795 0.949 4.619 98 HA ARG 16 HA ARG 16 68.398 -0.377 7.062 99 1HB ARG 16 HB2 ARG 16 69.838 1.322 5.087 100 2HB ARG 16 HB1 ARG 16 70.468 1.296 6.726 101 1HG ARG 16 HG2 ARG 16 69.990 -1.129 5.023 102 2HG ARG 16 HG1 ARG 16 71.553 -0.367 5.319 103 1HD ARG 16 HD2 ARG 16 71.788 -1.486 7.220 104 2HD ARG 16 HD1 ARG 16 70.243 -0.877 7.813 105 HE ARG 16 HE ARG 16 69.381 -2.814 6.262 106 1HH1 ARG 16 1HH1 ARG 16 72.094 -2.839 8.467 107 2HH1 ARG 16 2HH1 ARG 16 71.985 -4.539 8.772 108 1HH2 ARG 16 1HH2 ARG 16 69.241 -5.051 6.673 109 2HH2 ARG 16 2HH2 ARG 16 70.369 -5.793 7.759 110 H THR 17 HN THR 17 69.551 2.875 6.822 111 HA THR 17 HA THR 17 68.633 3.529 9.420 112 HB THR 17 HB THR 17 70.772 4.372 8.518 113 HG1 THR 17 HG1 THR 17 69.256 5.622 10.051 114 1HG2 THR 17 1HG2 THR 17 69.072 6.111 6.746 115 2HG2 THR 17 2HG2 THR 17 70.109 4.790 6.208 116 3HG2 THR 17 3HG2 THR 17 70.819 6.223 6.952 117 H TYR 18 HN TYR 18 67.462 3.923 6.267 118 HA TYR 18 HA TYR 18 65.890 6.153 6.271 119 1HB TYR 18 HB2 TYR 18 65.673 3.430 5.039 120 2HB TYR 18 HB1 TYR 18 64.528 4.700 4.658 121 HD1 TYR 18 HD1 TYR 18 65.018 5.062 2.400 122 HD2 TYR 18 HD2 TYR 18 68.176 5.125 5.215 123 HE1 TYR 18 HE1 TYR 18 66.507 6.012 0.701 124 HE2 TYR 18 HE2 TYR 18 69.694 6.026 3.522 125 HH TYR 18 HH TYR 18 69.219 5.917 0.387 126 H SER 19 HN SER 19 65.070 2.876 7.368 127 HA SER 19 HA SER 19 62.409 3.112 7.903 128 1HB SER 19 HB2 SER 19 63.652 1.007 8.074 129 2HB SER 19 HB1 SER 19 64.439 1.590 9.540 130 HG SER 19 HG SER 19 62.789 0.708 10.498 131 H GLU 20 HN GLU 20 64.814 4.918 9.405 132 HA GLU 20 HA GLU 20 63.268 5.338 11.839 133 1HB GLU 20 HB2 GLU 20 66.065 5.467 11.172 134 2HB GLU 20 HB1 GLU 20 65.539 6.998 11.866 135 1HG GLU 20 HG2 GLU 20 64.775 5.953 13.828 136 2HG GLU 20 HG1 GLU 20 64.921 4.347 13.110 137 H SER 21 HN SER 21 62.293 6.164 9.340 138 HA SER 21 HA SER 21 61.122 7.898 8.434 139 1HB SER 21 HB2 SER 21 61.897 9.288 11.008 140 2HB SER 21 HB1 SER 21 60.766 9.941 9.825 141 HG SER 21 HG SER 21 60.110 8.454 11.781 142 H GLY 22 HN GLY 22 64.179 7.619 8.242 143 1HA GLY 22 HA2 GLY 22 65.281 10.165 7.924 144 2HA GLY 22 HA1 GLY 22 65.915 8.692 7.217 145 H ARG 23 HN ARG 23 65.362 8.146 5.161 146 HA ARG 23 HA ARG 23 64.209 10.304 3.549 147 1HB ARG 23 HB2 ARG 23 66.596 9.662 3.156 148 2HB ARG 23 HB1 ARG 23 66.008 8.110 2.615 149 1HG ARG 23 HG2 ARG 23 64.645 10.218 1.229 150 2HG ARG 23 HG1 ARG 23 66.394 10.393 1.076 151 1HD ARG 23 HD2 ARG 23 66.441 7.930 0.443 152 2HD ARG 23 HD1 ARG 23 64.688 8.031 0.305 153 HE ARG 23 HE ARG 23 66.627 9.049 -1.539 154 1HH1 ARG 23 1HH1 ARG 23 63.384 9.464 -0.318 155 2HH1 ARG 23 2HH1 ARG 23 62.798 10.198 -1.773 156 1HH2 ARG 23 1HH2 ARG 23 65.857 10.005 -3.453 157 2HH2 ARG 23 2HH2 ARG 23 64.201 10.505 -3.554 158 H CYS 24 HN CYS 24 64.666 6.882 3.253 159 HA CYS 24 HA CYS 24 63.361 5.175 2.528 160 1HB CYS 24 HB2 CYS 24 61.343 7.072 3.542 161 2HB CYS 24 HB1 CYS 24 60.762 5.811 2.465 162 H ARG 25 HN ARG 25 64.377 5.492 0.520 163 HA ARG 25 HA ARG 25 63.708 7.222 -1.488 164 1HB ARG 25 HB2 ARG 25 65.687 5.856 -1.562 165 2HB ARG 25 HB1 ARG 25 64.729 4.403 -1.654 166 1HG ARG 25 HG2 ARG 25 65.210 4.552 -3.839 167 2HG ARG 25 HG1 ARG 25 63.837 5.667 -3.854 168 1HD ARG 25 HD2 ARG 25 65.353 7.015 -4.860 169 2HD ARG 25 HD1 ARG 25 65.778 7.383 -3.191 170 HE ARG 25 HE ARG 25 67.284 5.688 -5.046 171 1HH1 ARG 25 1HH1 ARG 25 67.037 7.190 -1.895 172 2HH1 ARG 25 2HH1 ARG 25 68.706 6.942 -1.517 173 1HH2 ARG 25 1HH2 ARG 25 69.473 5.367 -4.537 174 2HH2 ARG 25 2HH2 ARG 25 70.088 5.911 -3.011 175 H TYR 26 HN TYR 26 61.833 4.635 -0.360 176 HA TYR 26 HA TYR 26 59.786 5.160 -2.379 177 1HB TYR 26 HB2 TYR 26 60.724 2.389 -1.585 178 2HB TYR 26 HB1 TYR 26 59.268 2.715 -2.517 179 HD1 TYR 26 HD1 TYR 26 60.268 4.795 -4.386 180 HD2 TYR 26 HD2 TYR 26 62.072 1.185 -3.048 181 HE1 TYR 26 HE1 TYR 26 61.561 4.672 -6.476 182 HE2 TYR 26 HE2 TYR 26 63.372 1.051 -5.127 183 HH TYR 26 HH TYR 26 62.699 2.509 -7.814 184 H GLY 27 HN GLY 27 59.856 6.221 0.125 185 1HA GLY 27 HA2 GLY 27 58.925 5.028 2.340 186 2HA GLY 27 HA1 GLY 27 58.307 6.582 1.812 187 H ALA 28 HN ALA 28 57.322 3.821 2.990 188 HA ALA 28 HA ALA 28 55.254 2.896 3.203 189 1HB ALA 28 HB1 ALA 28 54.471 5.250 2.492 190 2HB ALA 28 HB2 ALA 28 53.343 3.902 2.358 191 3HB ALA 28 HB3 ALA 28 54.177 4.499 0.923 192 H LYS 29 HN LYS 29 56.831 3.119 0.180 193 HA LYS 29 HA LYS 29 55.694 0.592 -0.654 194 1HB LYS 29 HB2 LYS 29 55.248 2.830 -1.969 195 2HB LYS 29 HB1 LYS 29 56.842 2.484 -2.625 196 1HG LYS 29 HG2 LYS 29 56.017 0.976 -3.985 197 2HG LYS 29 HG1 LYS 29 55.264 0.121 -2.642 198 1HD LYS 29 HD2 LYS 29 54.040 2.574 -3.870 199 2HD LYS 29 HD1 LYS 29 53.705 0.950 -4.474 200 1HE LYS 29 HE2 LYS 29 53.191 0.469 -1.942 201 2HE LYS 29 HE1 LYS 29 52.947 2.213 -1.881 202 1HZ LYS 29 HZ1 LYS 29 51.235 2.072 -3.483 203 2HZ LYS 29 HZ2 LYS 29 50.915 0.859 -2.349 204 3HZ LYS 29 HZ3 LYS 29 51.589 0.459 -3.848 205 H CYS 30 HN CYS 30 58.204 1.465 0.895 206 HA CYS 30 HA CYS 30 60.291 0.747 -0.968 207 1HB CYS 30 HB2 CYS 30 61.843 1.182 0.848 208 2HB CYS 30 HB1 CYS 30 60.733 2.533 0.567 209 H GLN 31 HN GLN 31 60.749 -1.225 -1.405 210 HA GLN 31 HA GLN 31 60.712 -3.272 0.670 211 1HB GLN 31 HB2 GLN 31 60.952 -4.648 -1.658 212 2HB GLN 31 HB1 GLN 31 59.419 -4.313 -0.866 213 1HG GLN 31 HG2 GLN 31 59.523 -2.137 -2.350 214 2HG GLN 31 HG1 GLN 31 60.586 -3.141 -3.331 215 1HE2 GLN 31 1HE2 GLN 31 59.301 -5.620 -2.786 216 2HE2 GLN 31 2HE2 GLN 31 57.766 -5.599 -3.597 217 H PHE 32 HN PHE 32 62.511 -1.358 -1.448 218 HA PHE 32 HA PHE 32 65.018 -2.340 -0.498 219 1HB PHE 32 HB2 PHE 32 64.343 -2.628 -3.432 220 2HB PHE 32 HB1 PHE 32 65.943 -2.848 -2.736 221 HD1 PHE 32 HD1 PHE 32 62.578 -4.269 -3.029 222 HD2 PHE 32 HD2 PHE 32 66.526 -4.825 -1.559 223 HE1 PHE 32 HE1 PHE 32 62.126 -6.668 -2.695 224 HE2 PHE 32 HE2 PHE 32 66.082 -7.215 -1.224 225 HZ PHE 32 HZ PHE 32 63.881 -8.146 -1.804 226 H ALA 33 HN ALA 33 66.474 -1.149 -2.781 227 HA ALA 33 HA ALA 33 67.468 0.890 -3.128 228 1HB ALA 33 HB1 ALA 33 65.432 0.673 -4.700 229 2HB ALA 33 HB2 ALA 33 66.213 2.246 -4.530 230 3HB ALA 33 HB3 ALA 33 64.712 1.910 -3.670 231 H HIS 34 HN HIS 34 68.231 1.644 -1.170 232 HA HIS 34 HA HIS 34 66.887 3.917 -0.026 233 1HB HIS 34 HB2 HIS 34 66.671 1.242 1.204 234 2HB HIS 34 HB1 HIS 34 67.174 2.501 2.306 235 HD1 HIS 34 HD1 HIS 34 64.484 3.167 -0.302 236 HD2 HIS 34 HD2 HIS 34 65.019 2.507 3.730 237 HE1 HIS 34 HE1 HIS 34 62.265 3.696 0.837 238 H GLY 35 HN GLY 35 68.560 3.090 2.614 239 1HA GLY 35 HA2 GLY 35 70.829 4.628 2.080 240 2HA GLY 35 HA1 GLY 35 70.581 3.563 3.479 241 H LEU 36 HN LEU 36 71.669 1.757 3.629 242 HA LEU 36 HA LEU 36 73.869 1.194 1.960 243 1HB LEU 36 HB2 LEU 36 73.177 0.552 4.465 244 2HB LEU 36 HB1 LEU 36 72.672 -0.930 3.690 245 HG LEU 36 HG LEU 36 75.367 -0.124 2.906 246 1HD1 LEU 36 1HD1 LEU 36 76.414 -0.628 5.059 247 2HD1 LEU 36 2HD1 LEU 36 74.822 -0.713 5.813 248 3HD1 LEU 36 3HD1 LEU 36 75.405 0.815 5.151 249 1HD2 LEU 36 1HD2 LEU 36 75.013 -2.302 2.396 250 2HD2 LEU 36 2HD2 LEU 36 73.888 -2.548 3.732 251 3HD2 LEU 36 3HD2 LEU 36 75.625 -2.538 4.033 252 H GLY 37 HN GLY 37 72.820 -1.878 2.215 253 1HA GLY 37 HA2 GLY 37 71.311 -3.169 0.994 254 2HA GLY 37 HA1 GLY 37 71.078 -1.815 -0.076 255 H GLU 38 HN GLU 38 74.318 -2.023 0.288 256 HA GLU 38 HA GLU 38 74.537 -3.435 -2.249 257 1HB GLU 38 HB2 GLU 38 76.786 -2.200 -0.651 258 2HB GLU 38 HB1 GLU 38 76.779 -2.598 -2.363 259 1HG GLU 38 HG2 GLU 38 74.651 -0.861 -2.089 260 2HG GLU 38 HG1 GLU 38 75.876 -0.203 -1.006 261 H LEU 39 HN LEU 39 73.791 -4.963 0.102 262 HA LEU 39 HA LEU 39 76.136 -6.471 0.863 263 1HB LEU 39 HB2 LEU 39 73.269 -7.213 1.376 264 2HB LEU 39 HB1 LEU 39 74.688 -7.753 2.255 265 HG LEU 39 HG LEU 39 74.502 -4.883 2.330 266 1HD1 LEU 39 1HD1 LEU 39 72.153 -5.068 2.086 267 2HD1 LEU 39 2HD1 LEU 39 72.471 -4.814 3.801 268 3HD1 LEU 39 3HD1 LEU 39 72.075 -6.427 3.207 269 1HD2 LEU 39 1HD2 LEU 39 74.204 -6.855 4.583 270 2HD2 LEU 39 2HD2 LEU 39 74.823 -5.204 4.656 271 3HD2 LEU 39 3HD2 LEU 39 75.758 -6.461 3.848 272 H ARG 40 HN ARG 40 73.801 -6.604 -1.607 273 HA ARG 40 HA ARG 40 74.622 -9.340 -2.308 274 1HB ARG 40 HB2 ARG 40 72.375 -8.428 -3.861 275 2HB ARG 40 HB1 ARG 40 72.509 -9.831 -2.818 276 1HG ARG 40 HG2 ARG 40 72.074 -7.159 -1.575 277 2HG ARG 40 HG1 ARG 40 70.726 -7.981 -2.362 278 1HD ARG 40 HD2 ARG 40 71.048 -8.391 0.134 279 2HD ARG 40 HD1 ARG 40 70.822 -9.799 -0.897 280 HE ARG 40 HE ARG 40 73.276 -8.995 0.457 281 1HH1 ARG 40 1HH1 ARG 40 71.655 -11.239 -1.680 282 2HH1 ARG 40 2HH1 ARG 40 72.881 -12.450 -1.533 283 1HH2 ARG 40 1HH2 ARG 40 74.885 -10.588 0.638 284 2HH2 ARG 40 2HH2 ARG 40 74.712 -12.083 -0.221 285 H GLN 41 HN GLN 41 76.137 -6.940 -2.825 286 HA GLN 41 HA GLN 41 76.519 -7.284 -5.637 287 1HB GLN 41 HB2 GLN 41 75.743 -4.661 -4.385 288 2HB GLN 41 HB1 GLN 41 76.612 -4.740 -5.915 289 1HG GLN 41 HG2 GLN 41 74.311 -6.483 -5.907 290 2HG GLN 41 HG1 GLN 41 73.870 -4.817 -5.542 291 1HE2 GLN 41 1HE2 GLN 41 73.698 -6.743 -7.955 292 2HE2 GLN 41 2HE2 GLN 41 74.190 -5.749 -9.279 293 H ALA 42 HN ALA 42 77.488 -5.258 -2.880 294 HA ALA 42 HA ALA 42 79.521 -4.693 -2.030 295 1HB ALA 42 HB1 ALA 42 81.378 -6.493 -2.757 296 2HB ALA 42 HB2 ALA 42 79.916 -7.419 -3.084 297 3HB ALA 42 HB3 ALA 42 80.204 -6.770 -1.469 298 H ASN 43 HN ASN 43 80.488 -2.937 -2.794 299 HA ASN 43 HA ASN 43 81.577 -3.005 -5.530 300 1HB ASN 43 HB2 ASN 43 79.893 -1.106 -4.210 301 2HB ASN 43 HB1 ASN 43 81.431 -0.328 -4.571 302 1HD2 ASN 43 1HD2 ASN 43 78.441 -1.221 -5.768 303 2HD2 ASN 43 2HD2 ASN 43 78.740 -0.949 -7.448 Start of MODEL 8 1 H MET 4 HT1 MET 4 66.742 -20.819 -6.533 2 HA MET 4 HA MET 4 68.950 -20.859 -6.786 3 1HB MET 4 HB2 MET 4 67.401 -20.053 -9.067 4 2HB MET 4 HB1 MET 4 69.021 -19.396 -9.219 5 1HG MET 4 HG2 MET 4 68.948 -21.513 -10.309 6 2HG MET 4 HG1 MET 4 69.929 -21.667 -8.851 7 1HE MET 4 HE1 MET 4 68.205 -25.079 -9.522 8 2HE MET 4 HE2 MET 4 69.446 -24.646 -8.344 9 3HE MET 4 HE3 MET 4 69.526 -24.004 -9.983 10 H THR 5 HN THR 5 68.820 -18.936 -4.951 11 HA THR 5 HA THR 5 70.251 -17.392 -4.033 12 HB THR 5 HB THR 5 71.278 -16.821 -6.818 13 HG1 THR 5 HG1 THR 5 72.087 -18.716 -4.886 14 1HG2 THR 5 1HG2 THR 5 73.200 -16.532 -4.725 15 2HG2 THR 5 2HG2 THR 5 71.791 -15.527 -4.393 16 3HG2 THR 5 3HG2 THR 5 72.656 -15.353 -5.918 17 H THR 6 HN THR 6 68.615 -16.546 -7.043 18 HA THR 6 HA THR 6 67.451 -14.231 -5.725 19 HB THR 6 HB THR 6 67.867 -12.919 -7.904 20 HG1 THR 6 HG1 THR 6 70.238 -14.210 -8.296 21 1HG2 THR 6 1HG2 THR 6 68.971 -12.140 -5.977 22 2HG2 THR 6 2HG2 THR 6 70.210 -12.290 -7.223 23 3HG2 THR 6 3HG2 THR 6 70.075 -13.516 -5.961 24 H SER 7 HN SER 7 67.584 -15.264 -9.129 25 HA SER 7 HA SER 7 65.964 -15.898 -10.600 26 1HB SER 7 HB2 SER 7 65.137 -17.126 -8.032 27 2HB SER 7 HB1 SER 7 63.900 -17.041 -9.290 28 HG SER 7 HG SER 7 65.454 -18.938 -9.172 29 H SER 8 HN SER 8 65.525 -13.667 -11.068 30 HA SER 8 HA SER 8 64.189 -11.844 -11.345 31 1HB SER 8 HB2 SER 8 62.244 -14.068 -10.874 32 2HB SER 8 HB1 SER 8 61.640 -12.413 -10.942 33 HG SER 8 HG SER 8 62.588 -14.028 -12.950 34 H ARG 9 HN ARG 9 65.388 -12.244 -8.752 35 HA ARG 9 HA ARG 9 63.480 -11.543 -6.737 36 1HB ARG 9 HB2 ARG 9 66.058 -12.538 -6.740 37 2HB ARG 9 HB1 ARG 9 66.271 -10.891 -6.162 38 1HG ARG 9 HG2 ARG 9 64.035 -12.142 -4.851 39 2HG ARG 9 HG1 ARG 9 65.491 -13.124 -4.688 40 1HD ARG 9 HD2 ARG 9 66.708 -11.157 -3.874 41 2HD ARG 9 HD1 ARG 9 65.238 -10.197 -4.004 42 HE ARG 9 HE ARG 9 64.564 -11.070 -2.009 43 1HH1 ARG 9 1HH1 ARG 9 66.998 -13.183 -3.355 44 2HH1 ARG 9 2HH1 ARG 9 67.061 -14.202 -1.959 45 1HH2 ARG 9 1HH2 ARG 9 64.659 -12.408 -0.166 46 2HH2 ARG 9 2HH2 ARG 9 65.729 -13.771 -0.153 47 H TYR 10 HN TYR 10 63.861 -9.573 -5.383 48 HA TYR 10 HA TYR 10 63.582 -7.281 -7.055 49 1HB TYR 10 HB2 TYR 10 63.211 -7.990 -4.219 50 2HB TYR 10 HB1 TYR 10 63.602 -6.306 -4.535 51 HD1 TYR 10 HD1 TYR 10 61.695 -4.964 -4.553 52 HD2 TYR 10 HD2 TYR 10 61.509 -8.880 -6.202 53 HE1 TYR 10 HE1 TYR 10 59.366 -4.558 -5.219 54 HE2 TYR 10 HE2 TYR 10 59.169 -8.491 -6.872 55 HH TYR 10 HH TYR 10 57.591 -5.355 -6.325 56 H LYS 11 HN LYS 11 64.764 -5.323 -5.431 57 HA LYS 11 HA LYS 11 67.320 -5.255 -6.552 58 1HB LYS 11 HB2 LYS 11 66.493 -3.502 -4.271 59 2HB LYS 11 HB1 LYS 11 67.525 -3.113 -5.638 60 1HG LYS 11 HG2 LYS 11 64.931 -3.862 -6.590 61 2HG LYS 11 HG1 LYS 11 64.777 -2.611 -5.346 62 1HD LYS 11 HD2 LYS 11 65.062 -1.289 -7.175 63 2HD LYS 11 HD1 LYS 11 66.757 -1.531 -6.739 64 1HE LYS 11 HE2 LYS 11 65.257 -3.232 -8.724 65 2HE LYS 11 HE1 LYS 11 66.252 -1.843 -9.166 66 1HZ LYS 11 HZ1 LYS 11 67.854 -3.370 -7.549 67 2HZ LYS 11 HZ2 LYS 11 67.944 -3.255 -9.234 68 3HZ LYS 11 HZ3 LYS 11 67.049 -4.500 -8.521 69 H THR 12 HN THR 12 68.918 -4.183 -4.597 70 HA THR 12 HA THR 12 69.456 -6.528 -2.893 71 HB THR 12 HB THR 12 71.190 -6.397 -4.485 72 HG1 THR 12 HG1 THR 12 72.971 -5.408 -3.186 73 1HG2 THR 12 1HG2 THR 12 72.481 -4.100 -4.574 74 2HG2 THR 12 2HG2 THR 12 70.889 -3.464 -4.167 75 3HG2 THR 12 3HG2 THR 12 71.103 -4.429 -5.627 76 H GLU 13 HN GLU 13 68.598 -3.287 -2.803 77 HA GLU 13 HA GLU 13 70.131 -2.552 -0.553 78 1HB GLU 13 HB2 GLU 13 68.303 -1.270 -2.391 79 2HB GLU 13 HB1 GLU 13 68.121 -0.717 -0.740 80 1HG GLU 13 HG2 GLU 13 70.107 0.316 -0.697 81 2HG GLU 13 HG1 GLU 13 70.876 -0.910 -1.694 82 H LEU 14 HN LEU 14 68.617 -1.270 1.212 83 HA LEU 14 HA LEU 14 66.350 -2.777 2.063 84 1HB LEU 14 HB2 LEU 14 67.578 -3.270 4.326 85 2HB LEU 14 HB1 LEU 14 67.650 -4.395 2.983 86 HG LEU 14 HG LEU 14 69.798 -3.839 4.329 87 1HD1 LEU 14 1HD1 LEU 14 71.149 -4.410 2.519 88 2HD1 LEU 14 2HD1 LEU 14 70.029 -3.718 1.349 89 3HD1 LEU 14 3HD1 LEU 14 69.595 -5.187 2.226 90 1HD2 LEU 14 1HD2 LEU 14 69.372 -1.332 3.927 91 2HD2 LEU 14 2HD2 LEU 14 70.079 -1.634 2.335 92 3HD2 LEU 14 3HD2 LEU 14 71.014 -1.963 3.795 93 H CYS 15 HN CYS 15 65.252 -1.819 3.842 94 HA CYS 15 HA CYS 15 65.660 0.964 4.076 95 1HB CYS 15 HB2 CYS 15 63.419 -0.296 4.161 96 2HB CYS 15 HB1 CYS 15 63.830 -0.692 5.826 97 H ARG 16 HN ARG 16 67.835 1.038 4.929 98 HA ARG 16 HA ARG 16 68.441 -0.129 7.447 99 1HB ARG 16 HB2 ARG 16 69.855 1.511 5.403 100 2HB ARG 16 HB1 ARG 16 70.434 1.648 7.060 101 1HG ARG 16 HG2 ARG 16 70.808 -0.716 7.197 102 2HG ARG 16 HG1 ARG 16 70.098 -0.948 5.602 103 1HD ARG 16 HD2 ARG 16 71.889 0.542 4.687 104 2HD ARG 16 HD1 ARG 16 72.643 0.503 6.283 105 HE ARG 16 HE ARG 16 72.744 -1.529 4.302 106 1HH1 ARG 16 1HH1 ARG 16 72.696 -0.982 7.740 107 2HH1 ARG 16 2HH1 ARG 16 73.485 -2.477 8.116 108 1HH2 ARG 16 1HH2 ARG 16 73.783 -3.502 4.792 109 2HH2 ARG 16 2HH2 ARG 16 74.108 -3.904 6.446 110 H THR 17 HN THR 17 69.422 3.175 7.055 111 HA THR 17 HA THR 17 68.358 3.908 9.589 112 HB THR 17 HB THR 17 70.508 4.799 8.793 113 HG1 THR 17 HG1 THR 17 70.087 6.977 9.330 114 1HG2 THR 17 1HG2 THR 17 70.834 6.001 6.930 115 2HG2 THR 17 2HG2 THR 17 69.248 6.766 7.016 116 3HG2 THR 17 3HG2 THR 17 69.403 5.127 6.386 117 H TYR 18 HN TYR 18 67.330 4.045 6.375 118 HA TYR 18 HA TYR 18 65.671 6.219 6.162 119 1HB TYR 18 HB2 TYR 18 65.662 3.420 5.107 120 2HB TYR 18 HB1 TYR 18 64.445 4.578 4.612 121 HD1 TYR 18 HD1 TYR 18 64.912 5.013 2.408 122 HD2 TYR 18 HD2 TYR 18 68.093 5.085 5.194 123 HE1 TYR 18 HE1 TYR 18 66.384 5.929 0.688 124 HE2 TYR 18 HE2 TYR 18 69.600 5.948 3.473 125 HH TYR 18 HH TYR 18 68.580 6.253 0.134 126 H SER 19 HN SER 19 64.973 2.968 7.393 127 HA SER 19 HA SER 19 62.292 3.043 7.777 128 1HB SER 19 HB2 SER 19 64.415 1.408 8.607 129 2HB SER 19 HB1 SER 19 63.507 1.796 10.071 130 HG SER 19 HG SER 19 62.202 0.300 9.399 131 H GLU 20 HN GLU 20 64.551 4.982 9.410 132 HA GLU 20 HA GLU 20 62.635 5.604 11.531 133 1HB GLU 20 HB2 GLU 20 65.477 5.342 11.504 134 2HB GLU 20 HB1 GLU 20 65.081 7.008 11.916 135 1HG GLU 20 HG2 GLU 20 63.336 5.841 13.487 136 2HG GLU 20 HG1 GLU 20 64.469 4.493 13.362 137 H SER 21 HN SER 21 62.215 6.405 8.902 138 HA SER 21 HA SER 21 61.403 8.223 7.769 139 1HB SER 21 HB2 SER 21 62.129 9.915 10.164 140 2HB SER 21 HB1 SER 21 60.909 10.245 8.933 141 HG SER 21 HG SER 21 60.144 9.380 11.006 142 H GLY 22 HN GLY 22 64.467 7.590 8.245 143 1HA GLY 22 HA2 GLY 22 65.848 9.974 7.867 144 2HA GLY 22 HA1 GLY 22 66.463 8.379 7.460 145 H ARG 23 HN ARG 23 63.931 8.261 5.639 146 HA ARG 23 HA ARG 23 64.001 10.115 3.626 147 1HB ARG 23 HB2 ARG 23 66.403 9.350 3.534 148 2HB ARG 23 HB1 ARG 23 65.760 7.870 2.866 149 1HG ARG 23 HG2 ARG 23 64.781 10.266 1.548 150 2HG ARG 23 HG1 ARG 23 66.521 10.021 1.410 151 1HD ARG 23 HD2 ARG 23 66.240 8.379 -0.077 152 2HD ARG 23 HD1 ARG 23 65.106 7.538 0.976 153 HE ARG 23 HE ARG 23 63.327 8.663 -0.064 154 1HH1 ARG 23 1HH1 ARG 23 66.415 9.514 -1.466 155 2HH1 ARG 23 2HH1 ARG 23 65.715 10.188 -2.897 156 1HH2 ARG 23 1HH2 ARG 23 62.413 9.545 -1.943 157 2HH2 ARG 23 2HH2 ARG 23 63.441 10.205 -3.170 158 H CYS 24 HN CYS 24 64.459 6.677 3.362 159 HA CYS 24 HA CYS 24 63.224 4.995 2.518 160 1HB CYS 24 HB2 CYS 24 61.114 6.825 3.486 161 2HB CYS 24 HB1 CYS 24 60.635 5.506 2.428 162 H ARG 25 HN ARG 25 64.247 5.321 0.552 163 HA ARG 25 HA ARG 25 63.557 7.081 -1.461 164 1HB ARG 25 HB2 ARG 25 65.622 5.832 -1.430 165 2HB ARG 25 HB1 ARG 25 64.750 4.330 -1.576 166 1HG ARG 25 HG2 ARG 25 65.408 4.559 -3.725 167 2HG ARG 25 HG1 ARG 25 63.900 5.473 -3.815 168 1HD ARG 25 HD2 ARG 25 65.048 7.545 -3.611 169 2HD ARG 25 HD1 ARG 25 66.560 6.737 -3.190 170 HE ARG 25 HE ARG 25 66.097 5.762 -5.629 171 1HH1 ARG 25 1HH1 ARG 25 65.989 9.024 -4.400 172 2HH1 ARG 25 2HH1 ARG 25 66.413 9.743 -5.916 173 1HH2 ARG 25 1HH2 ARG 25 66.645 6.689 -7.621 174 2HH2 ARG 25 2HH2 ARG 25 66.786 8.409 -7.756 175 H TYR 26 HN TYR 26 61.734 4.494 -0.317 176 HA TYR 26 HA TYR 26 59.792 4.773 -2.490 177 1HB TYR 26 HB2 TYR 26 60.762 2.143 -1.346 178 2HB TYR 26 HB1 TYR 26 59.329 2.308 -2.350 179 HD1 TYR 26 HD1 TYR 26 60.657 4.362 -4.275 180 HD2 TYR 26 HD2 TYR 26 61.850 0.576 -2.745 181 HE1 TYR 26 HE1 TYR 26 62.037 3.996 -6.281 182 HE2 TYR 26 HE2 TYR 26 63.243 0.206 -4.731 183 HH TYR 26 HH TYR 26 62.934 1.740 -7.506 184 H GLY 27 HN GLY 27 59.565 6.140 -0.242 185 1HA GLY 27 HA2 GLY 27 58.644 5.236 2.107 186 2HA GLY 27 HA1 GLY 27 57.882 6.594 1.299 187 H ALA 28 HN ALA 28 57.280 3.799 2.792 188 HA ALA 28 HA ALA 28 55.424 2.540 3.085 189 1HB ALA 28 HB1 ALA 28 53.721 3.987 2.931 190 2HB ALA 28 HB2 ALA 28 53.464 3.279 1.338 191 3HB ALA 28 HB3 ALA 28 54.392 4.768 1.500 192 H LYS 29 HN LYS 29 56.915 2.860 0.060 193 HA LYS 29 HA LYS 29 55.871 0.311 -0.818 194 1HB LYS 29 HB2 LYS 29 55.546 2.609 -2.141 195 2HB LYS 29 HB1 LYS 29 57.111 2.126 -2.783 196 1HG LYS 29 HG2 LYS 29 56.138 0.718 -4.152 197 2HG LYS 29 HG1 LYS 29 55.419 -0.128 -2.787 198 1HD LYS 29 HD2 LYS 29 54.256 2.300 -4.143 199 2HD LYS 29 HD1 LYS 29 53.717 0.640 -4.390 200 1HE LYS 29 HE2 LYS 29 53.617 0.848 -1.677 201 2HE LYS 29 HE1 LYS 29 53.194 2.489 -2.168 202 1HZ LYS 29 HZ1 LYS 29 51.851 0.001 -3.082 203 2HZ LYS 29 HZ2 LYS 29 51.452 1.566 -3.578 204 3HZ LYS 29 HZ3 LYS 29 51.227 1.110 -1.967 205 H CYS 30 HN CYS 30 58.314 1.160 0.852 206 HA CYS 30 HA CYS 30 60.465 0.454 -0.930 207 1HB CYS 30 HB2 CYS 30 61.956 0.848 0.948 208 2HB CYS 30 HB1 CYS 30 60.863 2.205 0.641 209 H GLN 31 HN GLN 31 61.482 -1.286 -1.148 210 HA GLN 31 HA GLN 31 61.118 -3.510 0.700 211 1HB GLN 31 HB2 GLN 31 60.266 -3.395 -1.989 212 2HB GLN 31 HB1 GLN 31 61.622 -4.506 -1.919 213 1HG GLN 31 HG2 GLN 31 60.518 -5.948 -0.474 214 2HG GLN 31 HG1 GLN 31 59.350 -4.714 -0.001 215 1HE2 GLN 31 1HE2 GLN 31 59.816 -7.418 -1.855 216 2HE2 GLN 31 2HE2 GLN 31 58.497 -7.228 -2.958 217 H PHE 32 HN PHE 32 63.162 -1.560 -1.222 218 HA PHE 32 HA PHE 32 65.480 -2.814 -0.068 219 1HB PHE 32 HB2 PHE 32 64.976 -2.874 -3.019 220 2HB PHE 32 HB1 PHE 32 66.591 -3.002 -2.337 221 HD1 PHE 32 HD1 PHE 32 63.327 -4.620 -2.653 222 HD2 PHE 32 HD2 PHE 32 67.332 -5.013 -1.279 223 HE1 PHE 32 HE1 PHE 32 63.013 -7.058 -2.443 224 HE2 PHE 32 HE2 PHE 32 67.028 -7.450 -1.058 225 HZ PHE 32 HZ PHE 32 64.866 -8.475 -1.643 226 H ALA 33 HN ALA 33 65.521 -1.023 -3.074 227 HA ALA 33 HA ALA 33 67.486 0.660 -2.800 228 1HB ALA 33 HB1 ALA 33 64.799 1.181 -3.949 229 2HB ALA 33 HB2 ALA 33 66.340 0.931 -4.767 230 3HB ALA 33 HB3 ALA 33 66.009 2.461 -3.952 231 H HIS 34 HN HIS 34 68.184 1.532 -0.969 232 HA HIS 34 HA HIS 34 66.842 3.852 0.086 233 1HB HIS 34 HB2 HIS 34 66.751 1.214 1.444 234 2HB HIS 34 HB1 HIS 34 67.157 2.580 2.470 235 HD1 HIS 34 HD1 HIS 34 64.497 2.986 -0.205 236 HD2 HIS 34 HD2 HIS 34 64.975 2.446 3.845 237 HE1 HIS 34 HE1 HIS 34 62.231 3.422 0.874 238 H GLY 35 HN GLY 35 68.567 3.185 2.698 239 1HA GLY 35 HA2 GLY 35 70.695 4.802 2.305 240 2HA GLY 35 HA1 GLY 35 70.666 3.470 3.475 241 H LEU 36 HN LEU 36 71.945 1.792 3.173 242 HA LEU 36 HA LEU 36 73.822 1.874 0.954 243 1HB LEU 36 HB2 LEU 36 74.739 1.628 3.140 244 2HB LEU 36 HB1 LEU 36 73.661 0.302 3.524 245 HG LEU 36 HG LEU 36 75.030 -0.629 1.324 246 1HD1 LEU 36 1HD1 LEU 36 77.184 0.055 1.311 247 2HD1 LEU 36 2HD1 LEU 36 77.215 0.339 3.051 248 3HD1 LEU 36 3HD1 LEU 36 76.477 1.527 1.978 249 1HD2 LEU 36 1HD2 LEU 36 76.145 -2.091 2.928 250 2HD2 LEU 36 2HD2 LEU 36 74.445 -1.877 3.346 251 3HD2 LEU 36 3HD2 LEU 36 75.689 -1.007 4.242 252 H GLY 37 HN GLY 37 72.864 -1.155 2.443 253 1HA GLY 37 HA2 GLY 37 72.033 -3.079 1.576 254 2HA GLY 37 HA1 GLY 37 70.975 -2.047 0.670 255 H GLU 38 HN GLU 38 74.255 -3.248 0.643 256 HA GLU 38 HA GLU 38 74.001 -3.735 -2.258 257 1HB GLU 38 HB2 GLU 38 76.642 -2.982 -1.010 258 2HB GLU 38 HB1 GLU 38 76.183 -2.959 -2.707 259 1HG GLU 38 HG2 GLU 38 74.460 -1.139 -1.770 260 2HG GLU 38 HG1 GLU 38 75.763 -0.937 -0.598 261 H LEU 39 HN LEU 39 73.509 -5.433 0.042 262 HA LEU 39 HA LEU 39 75.769 -7.179 0.365 263 1HB LEU 39 HB2 LEU 39 72.912 -7.816 1.009 264 2HB LEU 39 HB1 LEU 39 74.361 -8.510 1.725 265 HG LEU 39 HG LEU 39 74.212 -5.618 2.021 266 1HD1 LEU 39 1HD1 LEU 39 71.794 -6.266 2.107 267 2HD1 LEU 39 2HD1 LEU 39 72.412 -5.530 3.584 268 3HD1 LEU 39 3HD1 LEU 39 72.178 -7.277 3.499 269 1HD2 LEU 39 1HD2 LEU 39 74.287 -7.493 4.312 270 2HD2 LEU 39 2HD2 LEU 39 75.255 -6.054 3.989 271 3HD2 LEU 39 3HD2 LEU 39 75.624 -7.567 3.164 272 H ARG 40 HN ARG 40 73.570 -6.823 -2.106 273 HA ARG 40 HA ARG 40 74.064 -9.549 -3.072 274 1HB ARG 40 HB2 ARG 40 71.713 -8.287 -4.242 275 2HB ARG 40 HB1 ARG 40 71.893 -9.894 -3.553 276 1HG ARG 40 HG2 ARG 40 71.665 -7.520 -1.749 277 2HG ARG 40 HG1 ARG 40 70.227 -8.204 -2.505 278 1HD ARG 40 HD2 ARG 40 71.382 -10.453 -1.570 279 2HD ARG 40 HD1 ARG 40 71.948 -9.292 -0.371 280 HE ARG 40 HE ARG 40 69.852 -9.292 0.508 281 1HH1 ARG 40 1HH1 ARG 40 69.623 -10.317 -2.818 282 2HH1 ARG 40 2HH1 ARG 40 67.915 -10.582 -2.746 283 1HH2 ARG 40 1HH2 ARG 40 67.600 -9.652 0.604 284 2HH2 ARG 40 2HH2 ARG 40 66.767 -10.212 -0.810 285 H GLN 41 HN GLN 41 75.362 -6.815 -3.434 286 HA GLN 41 HA GLN 41 75.650 -7.055 -6.277 287 1HB GLN 41 HB2 GLN 41 74.633 -4.631 -4.846 288 2HB GLN 41 HB1 GLN 41 75.543 -4.459 -6.351 289 1HG GLN 41 HG2 GLN 41 73.326 -6.414 -6.328 290 2HG GLN 41 HG1 GLN 41 72.902 -4.704 -6.291 291 1HE2 GLN 41 1HE2 GLN 41 71.921 -5.045 -8.352 292 2HE2 GLN 41 2HE2 GLN 41 72.892 -5.052 -9.784 293 H ALA 42 HN ALA 42 76.823 -5.977 -3.200 294 HA ALA 42 HA ALA 42 79.034 -4.514 -3.767 295 1HB ALA 42 HB1 ALA 42 79.160 -4.705 -1.559 296 2HB ALA 42 HB2 ALA 42 79.942 -6.270 -1.798 297 3HB ALA 42 HB3 ALA 42 78.197 -6.184 -1.574 298 H ASN 43 HN ASN 43 80.890 -4.767 -4.805 299 HA ASN 43 HA ASN 43 82.088 -7.393 -5.123 300 1HB ASN 43 HB2 ASN 43 80.605 -6.064 -7.240 301 2HB ASN 43 HB1 ASN 43 82.280 -6.343 -7.704 302 1HD2 ASN 43 1HD2 ASN 43 79.273 -7.824 -6.785 303 2HD2 ASN 43 2HD2 ASN 43 79.674 -9.424 -7.299 Start of MODEL 9 1 H MET 4 HT1 MET 4 73.480 -17.247 -6.396 2 HA MET 4 HA MET 4 71.555 -18.889 -7.851 3 1HB MET 4 HB2 MET 4 71.493 -17.310 -5.270 4 2HB MET 4 HB1 MET 4 70.193 -18.329 -5.872 5 1HG MET 4 HG2 MET 4 71.684 -20.279 -5.719 6 2HG MET 4 HG1 MET 4 72.940 -19.239 -5.049 7 1HE MET 4 HE1 MET 4 72.867 -19.952 -1.824 8 2HE MET 4 HE2 MET 4 73.355 -20.623 -3.381 9 3HE MET 4 HE3 MET 4 72.194 -21.487 -2.371 10 H THR 5 HN THR 5 71.289 -17.623 -9.730 11 HA THR 5 HA THR 5 70.672 -14.827 -9.566 12 HB THR 5 HB THR 5 71.723 -15.579 -11.570 13 HG1 THR 5 HG1 THR 5 70.385 -14.677 -13.010 14 1HG2 THR 5 1HG2 THR 5 70.058 -17.869 -11.311 15 2HG2 THR 5 2HG2 THR 5 71.414 -17.594 -12.408 16 3HG2 THR 5 3HG2 THR 5 69.781 -17.132 -12.890 17 H THR 6 HN THR 6 68.805 -14.059 -8.852 18 HA THR 6 HA THR 6 66.413 -15.740 -8.958 19 HB THR 6 HB THR 6 65.551 -13.637 -7.589 20 HG1 THR 6 HG1 THR 6 67.156 -12.575 -6.548 21 1HG2 THR 6 1HG2 THR 6 66.655 -14.663 -5.501 22 2HG2 THR 6 2HG2 THR 6 67.254 -15.889 -6.619 23 3HG2 THR 6 3HG2 THR 6 65.519 -15.637 -6.433 24 H SER 7 HN SER 7 65.252 -15.568 -10.755 25 HA SER 7 HA SER 7 65.315 -13.316 -12.480 26 1HB SER 7 HB2 SER 7 63.082 -15.309 -12.570 27 2HB SER 7 HB1 SER 7 63.953 -14.544 -13.898 28 HG SER 7 HG SER 7 64.427 -16.846 -13.389 29 H SER 8 HN SER 8 64.057 -11.568 -12.617 30 HA SER 8 HA SER 8 62.499 -9.998 -12.126 31 1HB SER 8 HB2 SER 8 60.821 -12.377 -11.303 32 2HB SER 8 HB1 SER 8 60.219 -10.747 -11.617 33 HG SER 8 HG SER 8 60.106 -12.344 -13.396 34 H ARG 9 HN ARG 9 64.418 -10.766 -10.049 35 HA ARG 9 HA ARG 9 62.963 -10.578 -7.551 36 1HB ARG 9 HB2 ARG 9 65.405 -11.621 -8.190 37 2HB ARG 9 HB1 ARG 9 65.869 -10.063 -7.523 38 1HG ARG 9 HG2 ARG 9 63.909 -11.239 -5.820 39 2HG ARG 9 HG1 ARG 9 65.172 -12.424 -6.142 40 1HD ARG 9 HD2 ARG 9 66.816 -10.542 -5.590 41 2HD ARG 9 HD1 ARG 9 65.425 -9.699 -4.909 42 HE ARG 9 HE ARG 9 65.283 -12.066 -3.678 43 1HH1 ARG 9 1HH1 ARG 9 67.963 -9.883 -4.155 44 2HH1 ARG 9 2HH1 ARG 9 68.766 -10.356 -2.697 45 1HH2 ARG 9 1HH2 ARG 9 66.339 -12.686 -1.760 46 2HH2 ARG 9 2HH2 ARG 9 67.848 -11.947 -1.334 47 H TYR 10 HN TYR 10 63.731 -8.870 -5.950 48 HA TYR 10 HA TYR 10 63.218 -6.319 -7.149 49 1HB TYR 10 HB2 TYR 10 63.247 -7.484 -4.437 50 2HB TYR 10 HB1 TYR 10 63.641 -5.779 -4.550 51 HD1 TYR 10 HD1 TYR 10 61.870 -4.328 -4.258 52 HD2 TYR 10 HD2 TYR 10 61.185 -8.104 -6.100 53 HE1 TYR 10 HE1 TYR 10 59.495 -3.762 -4.505 54 HE2 TYR 10 HE2 TYR 10 58.795 -7.549 -6.344 55 HH TYR 10 HH TYR 10 57.286 -5.122 -4.718 56 H LYS 11 HN LYS 11 64.710 -4.699 -5.385 57 HA LYS 11 HA LYS 11 67.063 -4.482 -6.906 58 1HB LYS 11 HB2 LYS 11 66.598 -2.933 -4.390 59 2HB LYS 11 HB1 LYS 11 67.380 -2.417 -5.879 60 1HG LYS 11 HG2 LYS 11 64.607 -3.160 -6.319 61 2HG LYS 11 HG1 LYS 11 64.778 -1.878 -5.105 62 1HD LYS 11 HD2 LYS 11 65.144 -0.397 -6.708 63 2HD LYS 11 HD1 LYS 11 66.520 -1.329 -7.298 64 1HE LYS 11 HE2 LYS 11 63.668 -1.972 -8.011 65 2HE LYS 11 HE1 LYS 11 64.666 -0.878 -8.965 66 1HZ LYS 11 HZ1 LYS 11 65.482 -3.656 -8.341 67 2HZ LYS 11 HZ2 LYS 11 66.147 -2.613 -9.495 68 3HZ LYS 11 HZ3 LYS 11 64.599 -3.251 -9.726 69 H THR 12 HN THR 12 68.926 -3.565 -5.101 70 HA THR 12 HA THR 12 69.647 -5.992 -3.590 71 HB THR 12 HB THR 12 71.015 -5.921 -5.566 72 HG1 THR 12 HG1 THR 12 72.560 -4.841 -3.455 73 1HG2 THR 12 1HG2 THR 12 70.693 -3.434 -5.965 74 2HG2 THR 12 2HG2 THR 12 72.283 -4.105 -6.317 75 3HG2 THR 12 3HG2 THR 12 72.019 -3.195 -4.830 76 H GLU 13 HN GLU 13 68.324 -3.810 -2.443 77 HA GLU 13 HA GLU 13 70.387 -2.738 -0.734 78 1HB GLU 13 HB2 GLU 13 68.573 -1.360 -2.464 79 2HB GLU 13 HB1 GLU 13 68.359 -0.861 -0.800 80 1HG GLU 13 HG2 GLU 13 70.329 0.209 -0.737 81 2HG GLU 13 HG1 GLU 13 71.129 -1.055 -1.663 82 H LEU 14 HN LEU 14 68.869 -1.343 1.056 83 HA LEU 14 HA LEU 14 66.670 -2.860 2.051 84 1HB LEU 14 HB2 LEU 14 67.879 -3.287 4.290 85 2HB LEU 14 HB1 LEU 14 68.060 -4.421 2.970 86 HG LEU 14 HG LEU 14 70.101 -3.632 4.449 87 1HD1 LEU 14 1HD1 LEU 14 70.065 -5.264 2.570 88 2HD1 LEU 14 2HD1 LEU 14 71.570 -4.353 2.740 89 3HD1 LEU 14 3HD1 LEU 14 70.416 -3.920 1.477 90 1HD2 LEU 14 1HD2 LEU 14 71.373 -1.852 3.525 91 2HD2 LEU 14 2HD2 LEU 14 69.758 -1.237 3.871 92 3HD2 LEU 14 3HD2 LEU 14 70.221 -1.621 2.219 93 H CYS 15 HN CYS 15 65.549 -1.845 3.683 94 HA CYS 15 HA CYS 15 65.908 0.949 3.903 95 1HB CYS 15 HB2 CYS 15 63.690 -0.276 3.894 96 2HB CYS 15 HB1 CYS 15 64.060 -0.841 5.518 97 H ARG 16 HN ARG 16 68.087 1.026 4.847 98 HA ARG 16 HA ARG 16 68.587 -0.145 7.386 99 1HB ARG 16 HB2 ARG 16 70.097 1.449 5.394 100 2HB ARG 16 HB1 ARG 16 70.591 1.658 7.071 101 1HG ARG 16 HG2 ARG 16 70.746 -0.829 7.262 102 2HG ARG 16 HG1 ARG 16 70.497 -0.906 5.520 103 1HD ARG 16 HD2 ARG 16 72.733 -0.798 5.415 104 2HD ARG 16 HD1 ARG 16 72.493 0.925 5.694 105 HE ARG 16 HE ARG 16 72.632 -0.408 8.168 106 1HH1 ARG 16 1HH1 ARG 16 74.661 0.502 5.479 107 2HH1 ARG 16 2HH1 ARG 16 76.102 0.594 6.433 108 1HH2 ARG 16 1HH2 ARG 16 74.529 -0.288 9.428 109 2HH2 ARG 16 2HH2 ARG 16 76.028 0.145 8.676 110 H THR 17 HN THR 17 69.556 3.175 7.030 111 HA THR 17 HA THR 17 68.466 3.865 9.555 112 HB THR 17 HB THR 17 70.591 4.800 8.770 113 HG1 THR 17 HG1 THR 17 70.035 6.341 10.063 114 1HG2 THR 17 1HG2 THR 17 69.524 6.846 7.051 115 2HG2 THR 17 2HG2 THR 17 69.308 5.234 6.372 116 3HG2 THR 17 3HG2 THR 17 70.916 5.788 6.827 117 H TYR 18 HN TYR 18 67.420 3.997 6.356 118 HA TYR 18 HA TYR 18 65.733 6.136 6.127 119 1HB TYR 18 HB2 TYR 18 65.745 3.328 5.084 120 2HB TYR 18 HB1 TYR 18 64.513 4.469 4.586 121 HD1 TYR 18 HD1 TYR 18 64.947 5.022 2.405 122 HD2 TYR 18 HD2 TYR 18 68.176 4.904 5.103 123 HE1 TYR 18 HE1 TYR 18 66.413 5.980 0.679 124 HE2 TYR 18 HE2 TYR 18 69.678 5.820 3.405 125 HH TYR 18 HH TYR 18 68.798 7.417 0.879 126 H SER 19 HN SER 19 65.062 2.905 7.453 127 HA SER 19 HA SER 19 62.374 2.983 7.836 128 1HB SER 19 HB2 SER 19 62.694 1.386 9.672 129 2HB SER 19 HB1 SER 19 63.775 1.023 8.326 130 HG SER 19 HG SER 19 65.376 2.289 9.532 131 H GLU 20 HN GLU 20 64.641 4.983 9.381 132 HA GLU 20 HA GLU 20 62.771 5.683 11.512 133 1HB GLU 20 HB2 GLU 20 65.603 5.534 11.367 134 2HB GLU 20 HB1 GLU 20 65.171 7.218 11.649 135 1HG GLU 20 HG2 GLU 20 63.554 6.164 13.412 136 2HG GLU 20 HG1 GLU 20 64.707 4.828 13.342 137 H SER 21 HN SER 21 62.262 6.301 8.811 138 HA SER 21 HA SER 21 61.345 7.981 7.572 139 1HB SER 21 HB2 SER 21 60.287 8.740 9.617 140 2HB SER 21 HB1 SER 21 61.757 9.580 10.109 141 HG SER 21 HG SER 21 60.765 11.190 9.153 142 H GLY 22 HN GLY 22 64.399 7.618 7.963 143 1HA GLY 22 HA2 GLY 22 65.614 10.099 7.608 144 2HA GLY 22 HA1 GLY 22 66.322 8.559 7.161 145 H ARG 23 HN ARG 23 63.988 8.084 5.350 146 HA ARG 23 HA ARG 23 63.827 10.037 3.364 147 1HB ARG 23 HB2 ARG 23 66.276 9.378 3.231 148 2HB ARG 23 HB1 ARG 23 65.699 7.857 2.588 149 1HG ARG 23 HG2 ARG 23 64.597 10.194 1.242 150 2HG ARG 23 HG1 ARG 23 66.344 10.028 1.096 151 1HD ARG 23 HD2 ARG 23 66.176 7.943 0.032 152 2HD ARG 23 HD1 ARG 23 64.513 7.704 0.559 153 HE ARG 23 HE ARG 23 65.339 8.936 -1.827 154 1HH1 ARG 23 1HH1 ARG 23 63.000 9.330 0.737 155 2HH1 ARG 23 2HH1 ARG 23 61.876 10.197 -0.253 156 1HH2 ARG 23 1HH2 ARG 23 63.859 10.071 -3.129 157 2HH2 ARG 23 2HH2 ARG 23 62.362 10.613 -2.448 158 H CYS 24 HN CYS 24 64.404 6.603 3.368 159 HA CYS 24 HA CYS 24 63.240 4.847 2.508 160 1HB CYS 24 HB2 CYS 24 61.078 6.624 3.470 161 2HB CYS 24 HB1 CYS 24 60.627 5.270 2.444 162 H ARG 25 HN ARG 25 64.202 5.166 0.498 163 HA ARG 25 HA ARG 25 63.438 6.903 -1.489 164 1HB ARG 25 HB2 ARG 25 65.495 5.668 -1.574 165 2HB ARG 25 HB1 ARG 25 64.636 4.155 -1.660 166 1HG ARG 25 HG2 ARG 25 65.108 4.336 -3.848 167 2HG ARG 25 HG1 ARG 25 63.657 5.348 -3.860 168 1HD ARG 25 HD2 ARG 25 65.404 6.519 -5.010 169 2HD ARG 25 HD1 ARG 25 65.123 7.330 -3.467 170 HE ARG 25 HE ARG 25 67.118 5.832 -2.741 171 1HH1 ARG 25 1HH1 ARG 25 66.757 7.425 -5.832 172 2HH1 ARG 25 2HH1 ARG 25 68.462 7.570 -6.089 173 1HH2 ARG 25 1HH2 ARG 25 69.354 6.032 -3.085 174 2HH2 ARG 25 2HH2 ARG 25 69.935 6.782 -4.534 175 H TYR 26 HN TYR 26 61.691 4.255 -0.327 176 HA TYR 26 HA TYR 26 59.645 4.592 -2.403 177 1HB TYR 26 HB2 TYR 26 60.569 1.929 -1.287 178 2HB TYR 26 HB1 TYR 26 59.166 2.150 -2.326 179 HD1 TYR 26 HD1 TYR 26 60.504 4.139 -4.241 180 HD2 TYR 26 HD2 TYR 26 61.753 0.407 -2.622 181 HE1 TYR 26 HE1 TYR 26 61.928 3.767 -6.214 182 HE2 TYR 26 HE2 TYR 26 63.188 0.033 -4.588 183 HH TYR 26 HH TYR 26 64.366 1.672 -6.354 184 H GLY 27 HN GLY 27 59.659 5.916 -0.044 185 1HA GLY 27 HA2 GLY 27 58.767 4.969 2.297 186 2HA GLY 27 HA1 GLY 27 58.092 6.425 1.590 187 H ALA 28 HN ALA 28 57.346 3.597 2.961 188 HA ALA 28 HA ALA 28 55.314 2.644 3.370 189 1HB ALA 28 HB1 ALA 28 54.374 4.880 2.517 190 2HB ALA 28 HB2 ALA 28 53.319 3.467 2.527 191 3HB ALA 28 HB3 ALA 28 54.067 3.998 1.020 192 H LYS 29 HN LYS 29 56.657 2.735 0.210 193 HA LYS 29 HA LYS 29 55.614 0.093 -0.357 194 1HB LYS 29 HB2 LYS 29 55.049 2.173 -1.821 195 2HB LYS 29 HB1 LYS 29 56.659 1.893 -2.469 196 1HG LYS 29 HG2 LYS 29 55.934 0.251 -3.722 197 2HG LYS 29 HG1 LYS 29 55.254 -0.568 -2.322 198 1HD LYS 29 HD2 LYS 29 53.887 1.649 -3.833 199 2HD LYS 29 HD1 LYS 29 53.562 -0.070 -4.067 200 1HE LYS 29 HE2 LYS 29 52.778 -0.287 -1.810 201 2HE LYS 29 HE1 LYS 29 53.283 1.357 -1.427 202 1HZ LYS 29 HZ1 LYS 29 51.415 2.192 -2.273 203 2HZ LYS 29 HZ2 LYS 29 50.802 0.617 -2.227 204 3HZ LYS 29 HZ3 LYS 29 51.477 1.217 -3.656 205 H CYS 30 HN CYS 30 58.133 1.080 1.062 206 HA CYS 30 HA CYS 30 60.187 0.342 -0.819 207 1HB CYS 30 HB2 CYS 30 61.791 0.850 0.904 208 2HB CYS 30 HB1 CYS 30 60.610 2.158 0.728 209 H GLN 31 HN GLN 31 61.106 -1.458 -1.103 210 HA GLN 31 HA GLN 31 61.012 -3.549 0.934 211 1HB GLN 31 HB2 GLN 31 59.982 -3.599 -1.707 212 2HB GLN 31 HB1 GLN 31 61.314 -4.746 -1.609 213 1HG GLN 31 HG2 GLN 31 60.258 -5.984 0.061 214 2HG GLN 31 HG1 GLN 31 59.132 -4.677 0.424 215 1HE2 GLN 31 1HE2 GLN 31 59.572 -7.552 -1.191 216 2HE2 GLN 31 2HE2 GLN 31 58.177 -7.493 -2.225 217 H PHE 32 HN PHE 32 62.775 -1.667 -1.256 218 HA PHE 32 HA PHE 32 65.302 -2.544 -0.270 219 1HB PHE 32 HB2 PHE 32 64.630 -2.954 -3.193 220 2HB PHE 32 HB1 PHE 32 66.243 -3.067 -2.507 221 HD1 PHE 32 HD1 PHE 32 62.966 -4.655 -2.721 222 HD2 PHE 32 HD2 PHE 32 66.951 -4.973 -1.294 223 HE1 PHE 32 HE1 PHE 32 62.632 -7.066 -2.361 224 HE2 PHE 32 HE2 PHE 32 66.629 -7.389 -0.915 225 HZ PHE 32 HZ PHE 32 64.464 -8.435 -1.461 226 H ALA 33 HN ALA 33 66.826 -1.400 -2.381 227 HA ALA 33 HA ALA 33 67.727 0.639 -2.858 228 1HB ALA 33 HB1 ALA 33 65.899 2.157 -3.973 229 2HB ALA 33 HB2 ALA 33 64.932 0.686 -3.861 230 3HB ALA 33 HB3 ALA 33 66.453 0.675 -4.754 231 H HIS 34 HN HIS 34 68.349 1.559 -0.950 232 HA HIS 34 HA HIS 34 66.869 3.862 -0.057 233 1HB HIS 34 HB2 HIS 34 67.005 1.386 1.612 234 2HB HIS 34 HB1 HIS 34 67.211 2.941 2.411 235 HD1 HIS 34 HD1 HIS 34 64.556 2.941 -0.244 236 HD2 HIS 34 HD2 HIS 34 65.050 2.385 3.805 237 HE1 HIS 34 HE1 HIS 34 62.252 3.230 0.837 238 H GLY 35 HN GLY 35 68.777 2.753 2.513 239 1HA GLY 35 HA2 GLY 35 70.751 4.710 2.207 240 2HA GLY 35 HA1 GLY 35 70.763 3.370 3.374 241 H LEU 36 HN LEU 36 72.467 2.144 3.215 242 HA LEU 36 HA LEU 36 74.213 2.172 0.970 243 1HB LEU 36 HB2 LEU 36 75.188 1.804 3.092 244 2HB LEU 36 HB1 LEU 36 74.052 0.527 3.486 245 HG LEU 36 HG LEU 36 75.190 -0.682 1.447 246 1HD1 LEU 36 1HD1 LEU 36 77.230 1.352 2.298 247 2HD1 LEU 36 2HD1 LEU 36 76.593 1.060 0.679 248 3HD1 LEU 36 3HD1 LEU 36 77.636 -0.138 1.445 249 1HD2 LEU 36 1HD2 LEU 36 76.094 -0.421 4.275 250 2HD2 LEU 36 2HD2 LEU 36 76.994 -1.446 3.155 251 3HD2 LEU 36 3HD2 LEU 36 75.287 -1.769 3.472 252 H GLY 37 HN GLY 37 72.735 -0.706 2.437 253 1HA GLY 37 HA2 GLY 37 71.895 -2.615 1.527 254 2HA GLY 37 HA1 GLY 37 71.189 -1.564 0.335 255 H GLU 38 HN GLU 38 73.911 -3.513 1.149 256 HA GLU 38 HA GLU 38 74.378 -4.039 -1.696 257 1HB GLU 38 HB2 GLU 38 76.705 -3.629 0.179 258 2HB GLU 38 HB1 GLU 38 76.732 -3.756 -1.573 259 1HG GLU 38 HG2 GLU 38 75.169 -1.565 -1.221 260 2HG GLU 38 HG1 GLU 38 76.278 -1.435 0.144 261 H LEU 39 HN LEU 39 72.988 -5.520 0.232 262 HA LEU 39 HA LEU 39 74.559 -7.462 1.495 263 1HB LEU 39 HB2 LEU 39 71.711 -7.427 0.611 264 2HB LEU 39 HB1 LEU 39 72.414 -8.882 1.298 265 HG LEU 39 HG LEU 39 72.334 -6.208 2.658 266 1HD1 LEU 39 1HD1 LEU 39 70.722 -8.627 3.412 267 2HD1 LEU 39 2HD1 LEU 39 70.109 -7.415 2.287 268 3HD1 LEU 39 3HD1 LEU 39 70.513 -6.955 3.941 269 1HD2 LEU 39 1HD2 LEU 39 72.789 -8.727 4.141 270 2HD2 LEU 39 2HD2 LEU 39 73.438 -7.111 4.421 271 3HD2 LEU 39 3HD2 LEU 39 74.118 -8.127 3.151 272 H ARG 40 HN ARG 40 72.758 -7.643 -1.468 273 HA ARG 40 HA ARG 40 74.229 -10.012 -2.334 274 1HB ARG 40 HB2 ARG 40 72.523 -10.297 -3.986 275 2HB ARG 40 HB1 ARG 40 71.747 -9.954 -2.445 276 1HG ARG 40 HG2 ARG 40 70.581 -8.421 -3.550 277 2HG ARG 40 HG1 ARG 40 72.065 -7.462 -3.523 278 1HD ARG 40 HD2 ARG 40 72.036 -7.496 -5.750 279 2HD ARG 40 HD1 ARG 40 72.367 -9.221 -5.669 280 HE ARG 40 HE ARG 40 69.761 -7.962 -6.106 281 1HH1 ARG 40 1HH1 ARG 40 71.650 -10.887 -5.793 282 2HH1 ARG 40 2HH1 ARG 40 70.440 -11.889 -6.516 283 1HH2 ARG 40 1HH2 ARG 40 68.176 -9.287 -7.053 284 2HH2 ARG 40 2HH2 ARG 40 68.472 -10.984 -7.229 285 H GLN 41 HN GLN 41 75.614 -7.463 -2.333 286 HA GLN 41 HA GLN 41 76.518 -7.506 -5.040 287 1HB GLN 41 HB2 GLN 41 75.246 -5.060 -3.838 288 2HB GLN 41 HB1 GLN 41 76.393 -4.955 -5.163 289 1HG GLN 41 HG2 GLN 41 74.175 -6.836 -5.572 290 2HG GLN 41 HG1 GLN 41 73.725 -5.136 -5.462 291 1HE2 GLN 41 1HE2 GLN 41 73.279 -6.449 -7.776 292 2HE2 GLN 41 2HE2 GLN 41 74.372 -5.903 -8.998 293 H ALA 42 HN ALA 42 77.341 -7.837 -2.091 294 HA ALA 42 HA ALA 42 79.997 -7.108 -2.406 295 1HB ALA 42 HB1 ALA 42 79.703 -5.448 -0.265 296 2HB ALA 42 HB2 ALA 42 78.277 -5.063 -1.232 297 3HB ALA 42 HB3 ALA 42 79.887 -4.921 -1.939 298 H ASN 43 HN ASN 43 77.376 -7.783 -0.172 299 HA ASN 43 HA ASN 43 79.113 -8.868 1.851 300 1HB ASN 43 HB2 ASN 43 76.245 -8.318 1.551 301 2HB ASN 43 HB1 ASN 43 76.597 -9.774 2.475 302 1HD2 ASN 43 1HD2 ASN 43 77.787 -6.440 2.197 303 2HD2 ASN 43 2HD2 ASN 43 77.918 -6.165 3.897 Start of MODEL 10 1 H MET 4 HT1 MET 4 73.963 -10.601 -14.780 2 HA MET 4 HA MET 4 72.449 -9.827 -12.520 3 1HB MET 4 HB2 MET 4 71.862 -8.556 -15.202 4 2HB MET 4 HB1 MET 4 70.699 -8.647 -13.886 5 1HG MET 4 HG2 MET 4 72.315 -7.376 -12.473 6 2HG MET 4 HG1 MET 4 73.317 -7.167 -13.908 7 1HE MET 4 HE1 MET 4 71.418 -5.686 -11.647 8 2HE MET 4 HE2 MET 4 69.764 -5.582 -12.252 9 3HE MET 4 HE3 MET 4 70.843 -4.193 -12.387 10 H THR 5 HN THR 5 71.588 -11.776 -12.194 11 HA THR 5 HA THR 5 70.626 -13.296 -14.527 12 HB THR 5 HB THR 5 70.734 -15.239 -12.783 13 HG1 THR 5 HG1 THR 5 71.275 -13.672 -11.074 14 1HG2 THR 5 1HG2 THR 5 72.381 -15.862 -14.113 15 2HG2 THR 5 2HG2 THR 5 73.484 -14.850 -13.179 16 3HG2 THR 5 3HG2 THR 5 72.669 -14.190 -14.597 17 H THR 6 HN THR 6 69.650 -11.634 -11.725 18 HA THR 6 HA THR 6 67.234 -13.146 -11.278 19 HB THR 6 HB THR 6 66.773 -10.914 -9.891 20 HG1 THR 6 HG1 THR 6 69.581 -10.947 -9.803 21 1HG2 THR 6 1HG2 THR 6 67.338 -13.308 -9.083 22 2HG2 THR 6 2HG2 THR 6 67.567 -11.943 -7.990 23 3HG2 THR 6 3HG2 THR 6 68.952 -12.648 -8.824 24 H SER 7 HN SER 7 65.580 -13.025 -12.656 25 HA SER 7 HA SER 7 65.076 -10.467 -14.026 26 1HB SER 7 HB2 SER 7 63.851 -13.031 -14.960 27 2HB SER 7 HB1 SER 7 64.332 -11.612 -15.890 28 HG SER 7 HG SER 7 66.557 -12.269 -15.267 29 H SER 8 HN SER 8 64.096 -11.715 -11.331 30 HA SER 8 HA SER 8 61.349 -10.782 -11.640 31 1HB SER 8 HB2 SER 8 61.836 -13.482 -11.658 32 2HB SER 8 HB1 SER 8 61.534 -13.181 -9.947 33 HG SER 8 HG SER 8 59.526 -13.344 -10.598 34 H ARG 9 HN ARG 9 64.017 -11.703 -9.547 35 HA ARG 9 HA ARG 9 62.899 -10.873 -7.098 36 1HB ARG 9 HB2 ARG 9 64.930 -12.304 -7.335 37 2HB ARG 9 HB1 ARG 9 65.816 -10.897 -7.906 38 1HG ARG 9 HG2 ARG 9 66.304 -11.329 -5.581 39 2HG ARG 9 HG1 ARG 9 65.451 -9.796 -5.750 40 1HD ARG 9 HD2 ARG 9 63.913 -10.510 -4.314 41 2HD ARG 9 HD1 ARG 9 63.502 -11.821 -5.416 42 HE ARG 9 HE ARG 9 65.023 -13.231 -4.247 43 1HH1 ARG 9 1HH1 ARG 9 64.526 -10.127 -2.711 44 2HH1 ARG 9 2HH1 ARG 9 65.090 -10.668 -1.169 45 1HH2 ARG 9 1HH2 ARG 9 65.755 -13.933 -2.220 46 2HH2 ARG 9 2HH2 ARG 9 65.782 -12.827 -0.888 47 H TYR 10 HN TYR 10 63.674 -9.052 -5.803 48 HA TYR 10 HA TYR 10 63.417 -6.602 -7.300 49 1HB TYR 10 HB2 TYR 10 63.093 -7.502 -4.514 50 2HB TYR 10 HB1 TYR 10 63.670 -5.856 -4.706 51 HD1 TYR 10 HD1 TYR 10 61.978 -4.280 -4.561 52 HD2 TYR 10 HD2 TYR 10 61.193 -8.028 -6.426 53 HE1 TYR 10 HE1 TYR 10 59.690 -3.535 -5.062 54 HE2 TYR 10 HE2 TYR 10 58.890 -7.293 -6.927 55 HH TYR 10 HH TYR 10 57.879 -4.335 -7.030 56 H LYS 11 HN LYS 11 64.862 -4.918 -5.599 57 HA LYS 11 HA LYS 11 67.379 -5.048 -6.823 58 1HB LYS 11 HB2 LYS 11 66.709 -3.225 -4.543 59 2HB LYS 11 HB1 LYS 11 67.732 -2.915 -5.942 60 1HG LYS 11 HG2 LYS 11 65.237 -3.502 -7.025 61 2HG LYS 11 HG1 LYS 11 64.888 -2.498 -5.607 62 1HD LYS 11 HD2 LYS 11 65.769 -0.658 -6.551 63 2HD LYS 11 HD1 LYS 11 67.107 -1.549 -7.277 64 1HE LYS 11 HE2 LYS 11 65.952 -0.926 -9.159 65 2HE LYS 11 HE1 LYS 11 65.215 -2.493 -8.833 66 1HZ LYS 11 HZ1 LYS 11 64.107 0.192 -8.267 67 2HZ LYS 11 HZ2 LYS 11 63.475 -1.208 -7.564 68 3HZ LYS 11 HZ3 LYS 11 63.452 -1.024 -9.244 69 H THR 12 HN THR 12 69.115 -4.104 -4.925 70 HA THR 12 HA THR 12 69.389 -6.357 -3.053 71 HB THR 12 HB THR 12 70.907 -6.807 -4.828 72 HG1 THR 12 HG1 THR 12 71.696 -6.490 -2.413 73 1HG2 THR 12 1HG2 THR 12 71.470 -5.081 -6.126 74 2HG2 THR 12 2HG2 THR 12 72.811 -4.897 -4.992 75 3HG2 THR 12 3HG2 THR 12 71.354 -3.919 -4.805 76 H GLU 13 HN GLU 13 68.249 -3.987 -2.324 77 HA GLU 13 HA GLU 13 70.262 -2.785 -0.644 78 1HB GLU 13 HB2 GLU 13 68.394 -1.588 -2.521 79 2HB GLU 13 HB1 GLU 13 68.347 -0.868 -0.938 80 1HG GLU 13 HG2 GLU 13 70.388 0.072 -1.134 81 2HG GLU 13 HG1 GLU 13 71.019 -1.270 -2.087 82 H LEU 14 HN LEU 14 68.996 -1.427 1.215 83 HA LEU 14 HA LEU 14 66.592 -2.742 2.110 84 1HB LEU 14 HB2 LEU 14 67.717 -3.115 4.428 85 2HB LEU 14 HB1 LEU 14 67.833 -4.333 3.176 86 HG LEU 14 HG LEU 14 69.912 -3.737 4.595 87 1HD1 LEU 14 1HD1 LEU 14 71.380 -4.303 2.783 88 2HD1 LEU 14 2HD1 LEU 14 70.163 -3.835 1.600 89 3HD1 LEU 14 3HD1 LEU 14 69.885 -5.227 2.643 90 1HD2 LEU 14 1HD2 LEU 14 71.227 -1.918 3.935 91 2HD2 LEU 14 2HD2 LEU 14 69.600 -1.268 4.110 92 3HD2 LEU 14 3HD2 LEU 14 70.243 -1.610 2.511 93 H CYS 15 HN CYS 15 65.581 -1.761 3.882 94 HA CYS 15 HA CYS 15 65.940 1.046 4.001 95 1HB CYS 15 HB2 CYS 15 63.700 -0.169 4.041 96 2HB CYS 15 HB1 CYS 15 64.076 -0.651 5.692 97 H ARG 16 HN ARG 16 68.082 1.209 4.915 98 HA ARG 16 HA ARG 16 68.650 0.064 7.455 99 1HB ARG 16 HB2 ARG 16 70.083 1.685 5.423 100 2HB ARG 16 HB1 ARG 16 70.622 1.872 7.087 101 1HG ARG 16 HG2 ARG 16 70.958 -0.531 7.275 102 2HG ARG 16 HG1 ARG 16 70.423 -0.732 5.611 103 1HD ARG 16 HD2 ARG 16 72.853 -0.741 5.759 104 2HD ARG 16 HD1 ARG 16 72.278 0.651 4.841 105 HE ARG 16 HE ARG 16 72.507 1.640 7.338 106 1HH1 ARG 16 1HH1 ARG 16 74.687 -0.160 5.314 107 2HH1 ARG 16 2HH1 ARG 16 76.111 0.564 5.977 108 1HH2 ARG 16 1HH2 ARG 16 74.378 2.597 8.224 109 2HH2 ARG 16 2HH2 ARG 16 75.936 2.125 7.634 110 H THR 17 HN THR 17 69.625 3.359 7.061 111 HA THR 17 HA THR 17 68.569 4.114 9.571 112 HB THR 17 HB THR 17 70.662 5.053 8.705 113 HG1 THR 17 HG1 THR 17 69.950 6.486 10.094 114 1HG2 THR 17 1HG2 THR 17 69.226 6.885 6.876 115 2HG2 THR 17 2HG2 THR 17 69.609 5.260 6.303 116 3HG2 THR 17 3HG2 THR 17 70.902 6.330 6.850 117 H TYR 18 HN TYR 18 67.427 4.155 6.387 118 HA TYR 18 HA TYR 18 65.694 6.265 6.205 119 1HB TYR 18 HB2 TYR 18 65.690 3.458 5.140 120 2HB TYR 18 HB1 TYR 18 64.471 4.623 4.680 121 HD1 TYR 18 HD1 TYR 18 64.914 4.994 2.424 122 HD2 TYR 18 HD2 TYR 18 68.101 5.227 5.198 123 HE1 TYR 18 HE1 TYR 18 66.340 5.960 0.691 124 HE2 TYR 18 HE2 TYR 18 69.567 6.137 3.466 125 HH TYR 18 HH TYR 18 69.519 7.194 1.398 126 H SER 19 HN SER 19 65.083 2.992 7.441 127 HA SER 19 HA SER 19 62.408 3.111 7.963 128 1HB SER 19 HB2 SER 19 64.388 1.297 8.419 129 2HB SER 19 HB1 SER 19 63.971 1.767 10.065 130 HG SER 19 HG SER 19 61.797 1.293 8.445 131 H GLU 20 HN GLU 20 64.802 4.965 9.455 132 HA GLU 20 HA GLU 20 63.232 5.454 11.844 133 1HB GLU 20 HB2 GLU 20 65.981 5.416 11.310 134 2HB GLU 20 HB1 GLU 20 65.585 7.106 11.610 135 1HG GLU 20 HG2 GLU 20 64.211 5.885 13.582 136 2HG GLU 20 HG1 GLU 20 65.616 4.818 13.427 137 H SER 21 HN SER 21 62.304 6.223 9.260 138 HA SER 21 HA SER 21 61.072 7.926 8.374 139 1HB SER 21 HB2 SER 21 61.911 9.779 10.582 140 2HB SER 21 HB1 SER 21 60.366 9.678 9.738 141 HG SER 21 HG SER 21 59.900 8.675 11.572 142 H GLY 22 HN GLY 22 64.143 7.654 8.110 143 1HA GLY 22 HA2 GLY 22 65.219 10.192 7.698 144 2HA GLY 22 HA1 GLY 22 65.824 8.715 6.978 145 H ARG 23 HN ARG 23 65.136 8.118 4.973 146 HA ARG 23 HA ARG 23 63.862 10.231 3.386 147 1HB ARG 23 HB2 ARG 23 66.244 9.793 2.894 148 2HB ARG 23 HB1 ARG 23 65.812 8.154 2.482 149 1HG ARG 23 HG2 ARG 23 64.145 9.826 0.956 150 2HG ARG 23 HG1 ARG 23 65.782 10.477 0.839 151 1HD ARG 23 HD2 ARG 23 66.393 7.933 0.476 152 2HD ARG 23 HD1 ARG 23 64.718 7.836 -0.050 153 HE ARG 23 HE ARG 23 65.223 9.214 -1.874 154 1HH1 ARG 23 1HH1 ARG 23 68.022 8.720 0.159 155 2HH1 ARG 23 2HH1 ARG 23 69.150 9.176 -1.072 156 1HH2 ARG 23 1HH2 ARG 23 66.710 9.807 -3.494 157 2HH2 ARG 23 2HH2 ARG 23 68.406 9.800 -3.142 158 H CYS 24 HN CYS 24 64.515 6.839 3.186 159 HA CYS 24 HA CYS 24 63.311 5.034 2.506 160 1HB CYS 24 HB2 CYS 24 61.173 6.839 3.469 161 2HB CYS 24 HB1 CYS 24 60.675 5.502 2.441 162 H ARG 25 HN ARG 25 64.278 5.295 0.479 163 HA ARG 25 HA ARG 25 63.515 6.965 -1.563 164 1HB ARG 25 HB2 ARG 25 65.578 5.725 -1.620 165 2HB ARG 25 HB1 ARG 25 64.707 4.210 -1.697 166 1HG ARG 25 HG2 ARG 25 65.564 4.709 -3.872 167 2HG ARG 25 HG1 ARG 25 63.805 4.888 -3.908 168 1HD ARG 25 HD2 ARG 25 64.343 7.387 -3.368 169 2HD ARG 25 HD1 ARG 25 65.936 6.982 -4.004 170 HE ARG 25 HE ARG 25 63.500 7.286 -5.500 171 1HH1 ARG 25 1HH1 ARG 25 66.668 5.825 -5.439 172 2HH1 ARG 25 2HH1 ARG 25 66.779 5.692 -7.161 173 1HH2 ARG 25 1HH2 ARG 25 63.643 7.106 -7.770 174 2HH2 ARG 25 2HH2 ARG 25 65.065 6.423 -8.484 175 H TYR 26 HN TYR 26 61.767 4.334 -0.369 176 HA TYR 26 HA TYR 26 59.775 4.605 -2.500 177 1HB TYR 26 HB2 TYR 26 60.845 2.000 -1.396 178 2HB TYR 26 HB1 TYR 26 59.348 2.118 -2.311 179 HD1 TYR 26 HD1 TYR 26 60.376 4.157 -4.359 180 HD2 TYR 26 HD2 TYR 26 62.013 0.542 -2.827 181 HE1 TYR 26 HE1 TYR 26 61.634 3.845 -6.451 182 HE2 TYR 26 HE2 TYR 26 63.280 0.230 -4.907 183 HH TYR 26 HH TYR 26 62.635 1.663 -7.691 184 H GLY 27 HN GLY 27 59.601 5.968 -0.229 185 1HA GLY 27 HA2 GLY 27 58.694 5.044 2.118 186 2HA GLY 27 HA1 GLY 27 57.939 6.419 1.332 187 H ALA 28 HN ALA 28 57.280 3.671 2.829 188 HA ALA 28 HA ALA 28 55.375 2.486 3.133 189 1HB ALA 28 HB1 ALA 28 53.323 3.059 1.884 190 2HB ALA 28 HB2 ALA 28 54.259 4.215 0.939 191 3HB ALA 28 HB3 ALA 28 54.068 4.445 2.677 192 H LYS 29 HN LYS 29 56.912 2.640 0.106 193 HA LYS 29 HA LYS 29 55.905 0.020 -0.598 194 1HB LYS 29 HB2 LYS 29 55.416 2.174 -2.040 195 2HB LYS 29 HB1 LYS 29 57.030 1.834 -2.653 196 1HG LYS 29 HG2 LYS 29 56.251 0.249 -3.951 197 2HG LYS 29 HG1 LYS 29 55.513 -0.565 -2.577 198 1HD LYS 29 HD2 LYS 29 54.212 1.816 -3.844 199 2HD LYS 29 HD1 LYS 29 53.977 0.196 -4.502 200 1HE LYS 29 HE2 LYS 29 53.615 0.437 -1.595 201 2HE LYS 29 HE1 LYS 29 52.437 1.315 -2.569 202 1HZ LYS 29 HZ1 LYS 29 52.750 -1.214 -3.703 203 2HZ LYS 29 HZ2 LYS 29 51.390 -0.586 -2.914 204 3HZ LYS 29 HZ3 LYS 29 52.556 -1.439 -2.037 205 H CYS 30 HN CYS 30 58.395 1.152 0.913 206 HA CYS 30 HA CYS 30 60.535 0.409 -0.849 207 1HB CYS 30 HB2 CYS 30 62.037 0.859 1.013 208 2HB CYS 30 HB1 CYS 30 60.915 2.192 0.707 209 H GLN 31 HN GLN 31 61.583 -1.323 -1.051 210 HA GLN 31 HA GLN 31 61.277 -3.513 0.855 211 1HB GLN 31 HB2 GLN 31 60.346 -3.404 -1.808 212 2HB GLN 31 HB1 GLN 31 61.672 -4.557 -1.756 213 1HG GLN 31 HG2 GLN 31 60.234 -5.271 0.432 214 2HG GLN 31 HG1 GLN 31 58.971 -4.728 -0.675 215 1HE2 GLN 31 1HE2 GLN 31 59.753 -5.482 -3.078 216 2HE2 GLN 31 2HE2 GLN 31 59.977 -7.203 -3.180 217 H PHE 32 HN PHE 32 63.258 -1.561 -1.091 218 HA PHE 32 HA PHE 32 65.628 -2.870 -0.120 219 1HB PHE 32 HB2 PHE 32 64.932 -2.840 -3.040 220 2HB PHE 32 HB1 PHE 32 66.573 -3.076 -2.452 221 HD1 PHE 32 HD1 PHE 32 63.243 -4.507 -2.737 222 HD2 PHE 32 HD2 PHE 32 67.217 -5.102 -1.368 223 HE1 PHE 32 HE1 PHE 32 62.805 -6.929 -2.546 224 HE2 PHE 32 HE2 PHE 32 66.800 -7.521 -1.160 225 HZ PHE 32 HZ PHE 32 64.590 -8.439 -1.753 226 H ALA 33 HN ALA 33 65.418 -0.979 -3.085 227 HA ALA 33 HA ALA 33 67.473 0.666 -2.847 228 1HB ALA 33 HB1 ALA 33 65.915 0.704 -4.738 229 2HB ALA 33 HB2 ALA 33 66.331 2.329 -4.192 230 3HB ALA 33 HB3 ALA 33 64.772 1.627 -3.763 231 H HIS 34 HN HIS 34 68.239 1.700 -1.121 232 HA HIS 34 HA HIS 34 66.823 3.916 0.025 233 1HB HIS 34 HB2 HIS 34 66.831 1.269 1.366 234 2HB HIS 34 HB1 HIS 34 67.231 2.634 2.393 235 HD1 HIS 34 HD1 HIS 34 64.517 3.021 -0.221 236 HD2 HIS 34 HD2 HIS 34 65.079 2.465 3.821 237 HE1 HIS 34 HE1 HIS 34 62.267 3.427 0.900 238 H GLY 35 HN GLY 35 68.637 3.193 2.625 239 1HA GLY 35 HA2 GLY 35 70.714 4.919 2.211 240 2HA GLY 35 HA1 GLY 35 70.719 3.597 3.395 241 H LEU 36 HN LEU 36 72.224 2.099 3.170 242 HA LEU 36 HA LEU 36 74.046 2.179 0.963 243 1HB LEU 36 HB2 LEU 36 74.902 1.729 3.162 244 2HB LEU 36 HB1 LEU 36 73.812 0.372 3.372 245 HG LEU 36 HG LEU 36 75.182 -0.376 1.142 246 1HD1 LEU 36 1HD1 LEU 36 77.114 1.093 2.924 247 2HD1 LEU 36 2HD1 LEU 36 76.699 1.500 1.260 248 3HD1 LEU 36 3HD1 LEU 36 77.563 0.003 1.612 249 1HD2 LEU 36 1HD2 LEU 36 75.210 -1.044 3.988 250 2HD2 LEU 36 2HD2 LEU 36 76.675 -1.503 3.126 251 3HD2 LEU 36 3HD2 LEU 36 75.108 -2.093 2.577 252 H GLY 37 HN GLY 37 72.682 -0.813 2.284 253 1HA GLY 37 HA2 GLY 37 71.602 -2.558 1.310 254 2HA GLY 37 HA1 GLY 37 71.108 -1.446 0.061 255 H GLU 38 HN GLU 38 73.302 -3.862 1.016 256 HA GLU 38 HA GLU 38 74.287 -4.120 -1.743 257 1HB GLU 38 HB2 GLU 38 76.107 -4.401 0.645 258 2HB GLU 38 HB1 GLU 38 76.557 -4.363 -1.052 259 1HG GLU 38 HG2 GLU 38 75.329 -1.981 -0.817 260 2HG GLU 38 HG1 GLU 38 75.994 -2.167 0.802 261 H LEU 39 HN LEU 39 72.277 -5.567 -0.195 262 HA LEU 39 HA LEU 39 72.995 -7.874 1.027 263 1HB LEU 39 HB2 LEU 39 70.869 -7.696 -1.097 264 2HB LEU 39 HB1 LEU 39 70.970 -8.917 0.159 265 HG LEU 39 HG LEU 39 70.916 -6.164 1.163 266 1HD1 LEU 39 1HD1 LEU 39 69.319 -5.492 -0.282 267 2HD1 LEU 39 2HD1 LEU 39 68.269 -6.418 0.791 268 3HD1 LEU 39 3HD1 LEU 39 68.857 -7.140 -0.706 269 1HD2 LEU 39 1HD2 LEU 39 70.708 -8.449 2.380 270 2HD2 LEU 39 2HD2 LEU 39 69.026 -8.375 1.859 271 3HD2 LEU 39 3HD2 LEU 39 69.686 -7.105 2.886 272 H ARG 40 HN ARG 40 73.331 -7.184 -2.321 273 HA ARG 40 HA ARG 40 74.653 -9.772 -2.728 274 1HB ARG 40 HB2 ARG 40 73.857 -9.916 -4.935 275 2HB ARG 40 HB1 ARG 40 72.467 -9.418 -3.983 276 1HG ARG 40 HG2 ARG 40 72.178 -7.795 -5.445 277 2HG ARG 40 HG1 ARG 40 73.623 -7.038 -4.776 278 1HD ARG 40 HD2 ARG 40 74.840 -8.670 -6.441 279 2HD ARG 40 HD1 ARG 40 73.287 -8.641 -7.269 280 HE ARG 40 HE ARG 40 75.139 -6.407 -6.939 281 1HH1 ARG 40 1HH1 ARG 40 72.061 -7.564 -8.138 282 2HH1 ARG 40 2HH1 ARG 40 71.821 -6.201 -9.179 283 1HH2 ARG 40 1HH2 ARG 40 74.813 -4.617 -8.306 284 2HH2 ARG 40 2HH2 ARG 40 73.377 -4.527 -9.271 285 H GLN 41 HN GLN 41 76.022 -7.616 -1.693 286 HA GLN 41 HA GLN 41 78.066 -7.315 -3.650 287 1HB GLN 41 HB2 GLN 41 76.476 -4.949 -2.701 288 2HB GLN 41 HB1 GLN 41 78.105 -4.787 -3.330 289 1HG GLN 41 HG2 GLN 41 75.815 -5.998 -4.854 290 2HG GLN 41 HG1 GLN 41 76.286 -4.305 -4.958 291 1HE2 GLN 41 1HE2 GLN 41 77.154 -4.043 -6.893 292 2HE2 GLN 41 2HE2 GLN 41 78.401 -5.021 -7.580 293 H ALA 42 HN ALA 42 77.906 -8.555 -1.123 294 HA ALA 42 HA ALA 42 79.261 -8.859 0.689 295 1HB ALA 42 HB1 ALA 42 80.757 -6.333 0.266 296 2HB ALA 42 HB2 ALA 42 80.915 -7.600 -0.950 297 3HB ALA 42 HB3 ALA 42 81.339 -7.931 0.729 298 H ASN 43 HN ASN 43 79.054 -8.375 2.819 299 HA ASN 43 HA ASN 43 77.200 -6.282 3.503 300 1HB ASN 43 HB2 ASN 43 77.507 -7.199 5.842 301 2HB ASN 43 HB1 ASN 43 76.907 -8.350 4.655 302 1HD2 ASN 43 1HD2 ASN 43 77.685 -9.853 6.347 303 2HD2 ASN 43 2HD2 ASN 43 79.333 -10.367 6.273 Start of MODEL 11 1 H MET 4 HT1 MET 4 68.204 -8.842 -16.172 2 HA MET 4 HA MET 4 69.150 -10.314 -18.530 3 1HB MET 4 HB2 MET 4 70.022 -7.815 -17.067 4 2HB MET 4 HB1 MET 4 70.951 -8.569 -18.356 5 1HG MET 4 HG2 MET 4 68.239 -8.147 -19.198 6 2HG MET 4 HG1 MET 4 68.939 -6.646 -18.593 7 1HE MET 4 HE1 MET 4 68.243 -6.804 -21.977 8 2HE MET 4 HE2 MET 4 68.034 -8.424 -21.310 9 3HE MET 4 HE3 MET 4 69.167 -8.154 -22.635 10 H THR 5 HN THR 5 69.818 -9.449 -15.152 11 HA THR 5 HA THR 5 71.701 -11.713 -15.041 12 HB THR 5 HB THR 5 73.090 -10.517 -13.518 13 HG1 THR 5 HG1 THR 5 70.951 -8.684 -13.426 14 1HG2 THR 5 1HG2 THR 5 73.994 -9.563 -15.304 15 2HG2 THR 5 2HG2 THR 5 73.073 -8.126 -14.862 16 3HG2 THR 5 3HG2 THR 5 72.420 -9.259 -16.044 17 H THR 6 HN THR 6 69.176 -9.898 -13.410 18 HA THR 6 HA THR 6 68.543 -12.224 -11.805 19 HB THR 6 HB THR 6 68.390 -10.382 -9.821 20 HG1 THR 6 HG1 THR 6 70.512 -9.326 -9.930 21 1HG2 THR 6 1HG2 THR 6 70.379 -12.424 -10.542 22 2HG2 THR 6 2HG2 THR 6 69.454 -12.204 -9.056 23 3HG2 THR 6 3HG2 THR 6 70.891 -11.226 -9.352 24 H SER 7 HN SER 7 66.856 -11.778 -13.559 25 HA SER 7 HA SER 7 65.045 -9.614 -13.209 26 1HB SER 7 HB2 SER 7 64.069 -12.094 -14.509 27 2HB SER 7 HB1 SER 7 63.991 -10.422 -15.065 28 HG SER 7 HG SER 7 65.648 -10.878 -16.256 29 H SER 8 HN SER 8 62.637 -10.100 -12.894 30 HA SER 8 HA SER 8 60.913 -10.751 -11.569 31 1HB SER 8 HB2 SER 8 62.634 -13.139 -11.602 32 2HB SER 8 HB1 SER 8 61.567 -13.026 -10.203 33 HG SER 8 HG SER 8 60.531 -12.543 -12.767 34 H ARG 9 HN ARG 9 63.859 -11.697 -9.781 35 HA ARG 9 HA ARG 9 62.907 -10.940 -7.264 36 1HB ARG 9 HB2 ARG 9 64.874 -12.396 -7.632 37 2HB ARG 9 HB1 ARG 9 65.775 -11.008 -8.223 38 1HG ARG 9 HG2 ARG 9 66.387 -11.489 -5.940 39 2HG ARG 9 HG1 ARG 9 65.548 -9.939 -6.025 40 1HD ARG 9 HD2 ARG 9 64.784 -11.245 -4.114 41 2HD ARG 9 HD1 ARG 9 63.486 -11.013 -5.279 42 HE ARG 9 HE ARG 9 65.013 -13.515 -4.974 43 1HH1 ARG 9 1HH1 ARG 9 62.048 -11.821 -5.735 44 2HH1 ARG 9 2HH1 ARG 9 61.144 -13.273 -5.990 45 1HH2 ARG 9 1HH2 ARG 9 63.816 -15.415 -5.307 46 2HH2 ARG 9 2HH2 ARG 9 62.143 -15.309 -5.746 47 H TYR 10 HN TYR 10 63.565 -9.166 -5.915 48 HA TYR 10 HA TYR 10 63.369 -6.655 -7.304 49 1HB TYR 10 HB2 TYR 10 63.101 -7.657 -4.537 50 2HB TYR 10 HB1 TYR 10 63.621 -5.990 -4.706 51 HD1 TYR 10 HD1 TYR 10 61.879 -4.479 -4.482 52 HD2 TYR 10 HD2 TYR 10 61.183 -8.194 -6.430 53 HE1 TYR 10 HE1 TYR 10 59.559 -3.799 -4.923 54 HE2 TYR 10 HE2 TYR 10 58.852 -7.529 -6.876 55 HH TYR 10 HH TYR 10 57.232 -5.395 -5.388 56 H LYS 11 HN LYS 11 64.814 -5.021 -5.579 57 HA LYS 11 HA LYS 11 67.352 -5.172 -6.770 58 1HB LYS 11 HB2 LYS 11 66.674 -3.372 -4.472 59 2HB LYS 11 HB1 LYS 11 67.748 -3.066 -5.833 60 1HG LYS 11 HG2 LYS 11 65.257 -3.542 -6.988 61 2HG LYS 11 HG1 LYS 11 64.925 -2.539 -5.562 62 1HD LYS 11 HD2 LYS 11 65.319 -0.961 -7.207 63 2HD LYS 11 HD1 LYS 11 66.899 -1.101 -6.431 64 1HE LYS 11 HE2 LYS 11 67.240 -2.963 -8.269 65 2HE LYS 11 HE1 LYS 11 65.997 -2.036 -9.107 66 1HZ LYS 11 HZ1 LYS 11 68.654 -1.502 -9.144 67 2HZ LYS 11 HZ2 LYS 11 68.080 -0.396 -8.001 68 3HZ LYS 11 HZ3 LYS 11 67.431 -0.411 -9.564 69 H THR 12 HN THR 12 69.081 -4.307 -4.864 70 HA THR 12 HA THR 12 69.325 -6.632 -3.069 71 HB THR 12 HB THR 12 70.983 -6.840 -4.750 72 HG1 THR 12 HG1 THR 12 72.891 -5.880 -3.283 73 1HG2 THR 12 1HG2 THR 12 72.568 -5.112 -5.345 74 2HG2 THR 12 2HG2 THR 12 71.787 -3.990 -4.231 75 3HG2 THR 12 3HG2 THR 12 70.918 -4.571 -5.651 76 H GLU 13 HN GLU 13 68.415 -3.636 -2.803 77 HA GLU 13 HA GLU 13 70.257 -2.804 -0.764 78 1HB GLU 13 HB2 GLU 13 68.428 -1.475 -2.577 79 2HB GLU 13 HB1 GLU 13 68.347 -0.866 -0.943 80 1HG GLU 13 HG2 GLU 13 70.527 -0.117 -0.950 81 2HG GLU 13 HG1 GLU 13 70.985 -1.185 -2.274 82 H LEU 14 HN LEU 14 68.675 -1.292 0.895 83 HA LEU 14 HA LEU 14 66.413 -2.687 1.873 84 1HB LEU 14 HB2 LEU 14 67.491 -3.223 4.119 85 2HB LEU 14 HB1 LEU 14 67.759 -4.324 2.783 86 HG LEU 14 HG LEU 14 69.684 -3.511 4.450 87 1HD1 LEU 14 1HD1 LEU 14 69.923 -4.188 1.538 88 2HD1 LEU 14 2HD1 LEU 14 70.037 -5.266 2.926 89 3HD1 LEU 14 3HD1 LEU 14 71.305 -4.080 2.626 90 1HD2 LEU 14 1HD2 LEU 14 69.961 -1.603 2.142 91 2HD2 LEU 14 2HD2 LEU 14 71.070 -1.812 3.488 92 3HD2 LEU 14 3HD2 LEU 14 69.463 -1.150 3.765 93 H CYS 15 HN CYS 15 65.433 -1.718 3.684 94 HA CYS 15 HA CYS 15 65.855 1.069 3.858 95 1HB CYS 15 HB2 CYS 15 63.613 -0.137 3.984 96 2HB CYS 15 HB1 CYS 15 64.060 -0.633 5.611 97 H ARG 16 HN ARG 16 68.067 1.132 4.666 98 HA ARG 16 HA ARG 16 68.754 -0.081 7.124 99 1HB ARG 16 HB2 ARG 16 70.078 1.631 5.100 100 2HB ARG 16 HB1 ARG 16 70.668 1.812 6.749 101 1HG ARG 16 HG2 ARG 16 70.974 -0.650 6.865 102 2HG ARG 16 HG1 ARG 16 70.572 -0.719 5.153 103 1HD ARG 16 HD2 ARG 16 72.811 -0.542 4.916 104 2HD ARG 16 HD1 ARG 16 72.460 1.177 5.085 105 HE ARG 16 HE ARG 16 73.296 1.120 7.271 106 1HH1 ARG 16 1HH1 ARG 16 73.482 -2.017 5.739 107 2HH1 ARG 16 2HH1 ARG 16 74.601 -2.650 6.897 108 1HH2 ARG 16 1HH2 ARG 16 74.762 0.281 8.790 109 2HH2 ARG 16 2HH2 ARG 16 75.326 -1.349 8.628 110 H THR 17 HN THR 17 69.621 3.265 6.834 111 HA THR 17 HA THR 17 68.651 3.848 9.442 112 HB THR 17 HB THR 17 70.753 4.813 8.556 113 HG1 THR 17 HG1 THR 17 70.284 6.982 9.239 114 1HG2 THR 17 1HG2 THR 17 70.378 5.319 6.310 115 2HG2 THR 17 2HG2 THR 17 70.465 6.888 7.111 116 3HG2 THR 17 3HG2 THR 17 68.899 6.210 6.666 117 H TYR 18 HN TYR 18 67.530 4.160 6.262 118 HA TYR 18 HA TYR 18 65.815 6.266 6.187 119 1HB TYR 18 HB2 TYR 18 65.786 3.498 5.040 120 2HB TYR 18 HB1 TYR 18 64.547 4.664 4.625 121 HD1 TYR 18 HD1 TYR 18 64.962 5.097 2.383 122 HD2 TYR 18 HD2 TYR 18 68.199 5.267 5.105 123 HE1 TYR 18 HE1 TYR 18 66.365 6.087 0.638 124 HE2 TYR 18 HE2 TYR 18 69.635 6.208 3.361 125 HH TYR 18 HH TYR 18 69.724 6.284 0.882 126 H SER 19 HN SER 19 65.149 2.969 7.348 127 HA SER 19 HA SER 19 62.479 3.101 7.873 128 1HB SER 19 HB2 SER 19 64.687 1.434 8.697 129 2HB SER 19 HB1 SER 19 63.513 1.611 10.001 130 HG SER 19 HG SER 19 61.910 1.090 8.293 131 H GLU 20 HN GLU 20 64.795 5.029 9.370 132 HA GLU 20 HA GLU 20 63.194 5.404 11.779 133 1HB GLU 20 HB2 GLU 20 65.998 5.618 11.163 134 2HB GLU 20 HB1 GLU 20 65.409 7.134 11.845 135 1HG GLU 20 HG2 GLU 20 65.060 6.245 13.865 136 2HG GLU 20 HG1 GLU 20 64.478 4.715 13.196 137 H SER 21 HN SER 21 62.253 6.196 9.247 138 HA SER 21 HA SER 21 61.020 7.890 8.341 139 1HB SER 21 HB2 SER 21 61.650 9.914 10.390 140 2HB SER 21 HB1 SER 21 60.088 9.369 9.779 141 HG SER 21 HG SER 21 60.134 8.608 11.808 142 H GLY 22 HN GLY 22 64.114 7.707 8.205 143 1HA GLY 22 HA2 GLY 22 65.137 10.270 7.832 144 2HA GLY 22 HA1 GLY 22 65.807 8.806 7.137 145 H ARG 23 HN ARG 23 65.217 8.204 5.102 146 HA ARG 23 HA ARG 23 64.009 10.310 3.460 147 1HB ARG 23 HB2 ARG 23 66.409 9.730 3.056 148 2HB ARG 23 HB1 ARG 23 65.870 8.138 2.582 149 1HG ARG 23 HG2 ARG 23 64.660 10.445 1.189 150 2HG ARG 23 HG1 ARG 23 66.338 10.047 0.820 151 1HD ARG 23 HD2 ARG 23 65.664 8.388 -0.506 152 2HD ARG 23 HD1 ARG 23 64.838 7.624 0.847 153 HE ARG 23 HE ARG 23 62.836 8.614 0.168 154 1HH1 ARG 23 1HH1 ARG 23 65.489 9.574 -1.898 155 2HH1 ARG 23 2HH1 ARG 23 64.455 10.192 -3.141 156 1HH2 ARG 23 1HH2 ARG 23 61.485 9.426 -1.466 157 2HH2 ARG 23 2HH2 ARG 23 62.184 10.111 -2.895 158 H CYS 24 HN CYS 24 64.575 6.901 3.247 159 HA CYS 24 HA CYS 24 63.327 5.130 2.589 160 1HB CYS 24 HB2 CYS 24 61.278 6.949 3.672 161 2HB CYS 24 HB1 CYS 24 60.704 5.684 2.604 162 H ARG 25 HN ARG 25 64.210 5.408 0.498 163 HA ARG 25 HA ARG 25 63.318 7.033 -1.525 164 1HB ARG 25 HB2 ARG 25 65.355 5.774 -1.716 165 2HB ARG 25 HB1 ARG 25 64.478 4.269 -1.631 166 1HG ARG 25 HG2 ARG 25 64.740 4.294 -3.861 167 2HG ARG 25 HG1 ARG 25 63.322 5.350 -3.816 168 1HD ARG 25 HD2 ARG 25 64.513 7.166 -4.411 169 2HD ARG 25 HD1 ARG 25 65.886 6.719 -3.402 170 HE ARG 25 HE ARG 25 66.830 5.615 -5.195 171 1HH1 ARG 25 1HH1 ARG 25 63.575 6.596 -5.994 172 2HH1 ARG 25 2HH1 ARG 25 63.757 6.266 -7.682 173 1HH2 ARG 25 1HH2 ARG 25 67.069 5.181 -7.416 174 2HH2 ARG 25 2HH2 ARG 25 65.739 5.462 -8.490 175 H TYR 26 HN TYR 26 61.712 4.404 -0.161 176 HA TYR 26 HA TYR 26 59.422 4.752 -1.925 177 1HB TYR 26 HB2 TYR 26 60.640 2.070 -1.219 178 2HB TYR 26 HB1 TYR 26 59.061 2.263 -1.964 179 HD1 TYR 26 HD1 TYR 26 59.963 4.505 -3.902 180 HD2 TYR 26 HD2 TYR 26 61.593 0.703 -2.898 181 HE1 TYR 26 HE1 TYR 26 61.000 4.368 -6.125 182 HE2 TYR 26 HE2 TYR 26 62.643 0.564 -5.116 183 HH TYR 26 HH TYR 26 62.824 1.501 -7.141 184 H GLY 27 HN GLY 27 59.538 5.962 0.356 185 1HA GLY 27 HA2 GLY 27 59.234 4.957 2.807 186 2HA GLY 27 HA1 GLY 27 58.202 6.249 2.243 187 H ALA 28 HN ALA 28 56.717 4.488 0.363 188 HA ALA 28 HA ALA 28 55.205 3.003 2.403 189 1HB ALA 28 HB1 ALA 28 53.471 3.287 0.310 190 2HB ALA 28 HB2 ALA 28 54.381 4.794 0.258 191 3HB ALA 28 HB3 ALA 28 53.538 4.325 1.734 192 H LYS 29 HN LYS 29 57.005 2.677 -0.444 193 HA LYS 29 HA LYS 29 56.087 -0.048 -0.803 194 1HB LYS 29 HB2 LYS 29 55.625 1.823 -2.567 195 2HB LYS 29 HB1 LYS 29 57.287 1.491 -3.027 196 1HG LYS 29 HG2 LYS 29 56.679 -0.302 -4.117 197 2HG LYS 29 HG1 LYS 29 55.905 -0.953 -2.678 198 1HD LYS 29 HD2 LYS 29 54.609 1.045 -4.521 199 2HD LYS 29 HD1 LYS 29 54.373 -0.700 -4.645 200 1HE LYS 29 HE2 LYS 29 53.456 -0.757 -2.396 201 2HE LYS 29 HE1 LYS 29 53.756 0.969 -2.210 202 1HZ LYS 29 HZ1 LYS 29 51.659 -0.402 -3.695 203 2HZ LYS 29 HZ2 LYS 29 52.280 1.007 -4.395 204 3HZ LYS 29 HZ3 LYS 29 51.606 1.061 -2.845 205 H CYS 30 HN CYS 30 58.390 1.094 0.777 206 HA CYS 30 HA CYS 30 60.662 0.368 -0.824 207 1HB CYS 30 HB2 CYS 30 62.072 0.922 1.049 208 2HB CYS 30 HB1 CYS 30 60.918 2.210 0.684 209 H GLN 31 HN GLN 31 61.642 -1.377 -1.010 210 HA GLN 31 HA GLN 31 61.410 -3.503 0.976 211 1HB GLN 31 HB2 GLN 31 60.421 -3.482 -1.684 212 2HB GLN 31 HB1 GLN 31 61.712 -4.670 -1.575 213 1HG GLN 31 HG2 GLN 31 60.298 -5.256 0.643 214 2HG GLN 31 HG1 GLN 31 59.019 -4.666 -0.420 215 1HE2 GLN 31 1HE2 GLN 31 59.685 -5.512 -2.844 216 2HE2 GLN 31 2HE2 GLN 31 59.788 -7.245 -2.907 217 H PHE 32 HN PHE 32 63.319 -1.575 -1.041 218 HA PHE 32 HA PHE 32 65.731 -2.834 -0.139 219 1HB PHE 32 HB2 PHE 32 64.981 -2.828 -3.050 220 2HB PHE 32 HB1 PHE 32 66.625 -3.066 -2.478 221 HD1 PHE 32 HD1 PHE 32 63.287 -4.498 -2.726 222 HD2 PHE 32 HD2 PHE 32 67.288 -5.113 -1.434 223 HE1 PHE 32 HE1 PHE 32 62.856 -6.922 -2.570 224 HE2 PHE 32 HE2 PHE 32 66.871 -7.538 -1.264 225 HZ PHE 32 HZ PHE 32 64.652 -8.444 -1.837 226 H ALA 33 HN ALA 33 65.282 -0.957 -3.096 227 HA ALA 33 HA ALA 33 67.295 0.765 -2.993 228 1HB ALA 33 HB1 ALA 33 64.517 1.096 -3.973 229 2HB ALA 33 HB2 ALA 33 66.042 1.096 -4.861 230 3HB ALA 33 HB3 ALA 33 65.558 2.519 -3.939 231 H HIS 34 HN HIS 34 68.123 1.809 -1.307 232 HA HIS 34 HA HIS 34 66.742 3.997 -0.095 233 1HB HIS 34 HB2 HIS 34 66.730 1.337 1.201 234 2HB HIS 34 HB1 HIS 34 67.212 2.657 2.248 235 HD1 HIS 34 HD1 HIS 34 64.415 3.171 -0.255 236 HD2 HIS 34 HD2 HIS 34 65.094 2.537 3.755 237 HE1 HIS 34 HE1 HIS 34 62.214 3.600 0.947 238 H GLY 35 HN GLY 35 68.578 3.330 2.455 239 1HA GLY 35 HA2 GLY 35 70.690 4.987 1.973 240 2HA GLY 35 HA1 GLY 35 70.666 3.706 3.200 241 H LEU 36 HN LEU 36 72.146 2.213 3.047 242 HA LEU 36 HA LEU 36 73.964 2.144 0.837 243 1HB LEU 36 HB2 LEU 36 74.821 1.852 3.054 244 2HB LEU 36 HB1 LEU 36 73.713 0.531 3.373 245 HG LEU 36 HG LEU 36 75.165 -0.284 1.142 246 1HD1 LEU 36 1HD1 LEU 36 77.005 1.014 1.211 247 2HD1 LEU 36 2HD1 LEU 36 77.490 -0.108 2.481 248 3HD1 LEU 36 3HD1 LEU 36 76.768 1.444 2.905 249 1HD2 LEU 36 1HD2 LEU 36 75.095 -0.979 4.040 250 2HD2 LEU 36 2HD2 LEU 36 76.301 -1.738 3.000 251 3HD2 LEU 36 3HD2 LEU 36 74.584 -1.927 2.642 252 H GLY 37 HN GLY 37 72.572 -0.726 2.377 253 1HA GLY 37 HA2 GLY 37 71.612 -2.602 1.528 254 2HA GLY 37 HA1 GLY 37 70.959 -1.572 0.287 255 H GLU 38 HN GLU 38 73.531 -3.677 1.188 256 HA GLU 38 HA GLU 38 74.194 -4.015 -1.657 257 1HB GLU 38 HB2 GLU 38 76.285 -4.153 0.504 258 2HB GLU 38 HB1 GLU 38 76.520 -4.089 -1.235 259 1HG GLU 38 HG2 GLU 38 75.221 -1.769 -0.852 260 2HG GLU 38 HG1 GLU 38 76.063 -1.923 0.690 261 H LEU 39 HN LEU 39 72.455 -5.528 0.129 262 HA LEU 39 HA LEU 39 73.326 -7.774 1.308 263 1HB LEU 39 HB2 LEU 39 71.091 -7.691 -0.703 264 2HB LEU 39 HB1 LEU 39 71.314 -8.938 0.512 265 HG LEU 39 HG LEU 39 71.151 -6.150 1.474 266 1HD1 LEU 39 1HD1 LEU 39 69.366 -6.451 -0.323 267 2HD1 LEU 39 2HD1 LEU 39 68.824 -5.937 1.275 268 3HD1 LEU 39 3HD1 LEU 39 68.628 -7.617 0.775 269 1HD2 LEU 39 1HD2 LEU 39 70.541 -7.118 3.420 270 2HD2 LEU 39 2HD2 LEU 39 71.315 -8.529 2.700 271 3HD2 LEU 39 3HD2 LEU 39 69.561 -8.349 2.627 272 H ARG 40 HN ARG 40 73.426 -7.215 -2.094 273 HA ARG 40 HA ARG 40 74.892 -9.738 -2.449 274 1HB ARG 40 HB2 ARG 40 73.892 -10.142 -4.527 275 2HB ARG 40 HB1 ARG 40 72.568 -9.654 -3.479 276 1HG ARG 40 HG2 ARG 40 72.013 -8.163 -4.999 277 2HG ARG 40 HG1 ARG 40 73.499 -7.291 -4.617 278 1HD ARG 40 HD2 ARG 40 74.612 -8.923 -6.269 279 2HD ARG 40 HD1 ARG 40 72.972 -9.266 -6.813 280 HE ARG 40 HE ARG 40 73.377 -6.483 -6.781 281 1HH1 ARG 40 1HH1 ARG 40 74.367 -9.321 -8.555 282 2HH1 ARG 40 2HH1 ARG 40 74.619 -8.460 -10.036 283 1HH2 ARG 40 1HH2 ARG 40 73.704 -5.349 -8.730 284 2HH2 ARG 40 2HH2 ARG 40 74.242 -6.206 -10.136 285 H GLN 41 HN GLN 41 76.017 -7.189 -1.810 286 HA GLN 41 HA GLN 41 77.987 -7.065 -3.845 287 1HB GLN 41 HB2 GLN 41 76.116 -4.742 -3.422 288 2HB GLN 41 HB1 GLN 41 77.717 -4.544 -4.122 289 1HG GLN 41 HG2 GLN 41 75.594 -6.343 -5.259 290 2HG GLN 41 HG1 GLN 41 75.867 -4.681 -5.774 291 1HE2 GLN 41 1HE2 GLN 41 78.118 -4.188 -6.481 292 2HE2 GLN 41 2HE2 GLN 41 78.936 -5.388 -7.418 293 H ALA 42 HN ALA 42 78.672 -7.868 -1.540 294 HA ALA 42 HA ALA 42 79.040 -6.001 0.505 295 1HB ALA 42 HB1 ALA 42 79.626 -8.747 0.064 296 2HB ALA 42 HB2 ALA 42 79.524 -7.866 1.588 297 3HB ALA 42 HB3 ALA 42 81.060 -7.958 0.724 298 H ASN 43 HN ASN 43 80.547 -6.137 -2.482 299 HA ASN 43 HA ASN 43 82.211 -3.979 -2.073 300 1HB ASN 43 HB2 ASN 43 83.324 -6.225 -0.844 301 2HB ASN 43 HB1 ASN 43 84.205 -6.074 -2.361 302 1HD2 ASN 43 1HD2 ASN 43 86.010 -5.642 -0.914 303 2HD2 ASN 43 2HD2 ASN 43 86.260 -4.029 -0.350 Start of MODEL 12 1 H MET 4 HT1 MET 4 63.449 -24.476 -8.986 2 HA MET 4 HA MET 4 62.570 -22.633 -11.074 3 1HB MET 4 HB2 MET 4 60.907 -23.031 -9.073 4 2HB MET 4 HB1 MET 4 62.080 -22.084 -8.170 5 1HG MET 4 HG2 MET 4 61.709 -20.177 -9.459 6 2HG MET 4 HG1 MET 4 60.921 -21.089 -10.748 7 1HE MET 4 HE1 MET 4 57.903 -20.613 -10.734 8 2HE MET 4 HE2 MET 4 59.290 -19.562 -11.017 9 3HE MET 4 HE3 MET 4 58.013 -19.057 -9.911 10 H THR 5 HN THR 5 64.624 -22.010 -11.613 11 HA THR 5 HA THR 5 66.587 -21.514 -9.525 12 HB THR 5 HB THR 5 67.743 -20.596 -11.839 13 HG1 THR 5 HG1 THR 5 66.022 -22.743 -12.519 14 1HG2 THR 5 1HG2 THR 5 68.223 -23.340 -11.905 15 2HG2 THR 5 2HG2 THR 5 67.959 -22.943 -10.206 16 3HG2 THR 5 3HG2 THR 5 69.199 -22.094 -11.129 17 H THR 6 HN THR 6 67.401 -19.536 -8.947 18 HA THR 6 HA THR 6 65.696 -17.263 -9.516 19 HB THR 6 HB THR 6 66.841 -16.159 -7.733 20 HG1 THR 6 HG1 THR 6 68.885 -17.827 -8.425 21 1HG2 THR 6 1HG2 THR 6 65.364 -18.202 -7.185 22 2HG2 THR 6 2HG2 THR 6 66.368 -17.492 -5.922 23 3HG2 THR 6 3HG2 THR 6 66.890 -18.966 -6.737 24 H SER 7 HN SER 7 66.266 -15.451 -10.626 25 HA SER 7 HA SER 7 68.975 -15.036 -11.528 26 1HB SER 7 HB2 SER 7 66.806 -15.540 -13.579 27 2HB SER 7 HB1 SER 7 68.486 -15.125 -13.913 28 HG SER 7 HG SER 7 67.414 -17.521 -12.895 29 H SER 8 HN SER 8 65.591 -14.154 -12.196 30 HA SER 8 HA SER 8 66.356 -11.340 -12.400 31 1HB SER 8 HB2 SER 8 64.303 -10.962 -13.459 32 2HB SER 8 HB1 SER 8 64.724 -12.583 -14.007 33 HG SER 8 HG SER 8 63.428 -13.190 -11.988 34 H ARG 9 HN ARG 9 66.732 -12.274 -9.869 35 HA ARG 9 HA ARG 9 64.536 -12.084 -8.129 36 1HB ARG 9 HB2 ARG 9 67.120 -12.766 -7.793 37 2HB ARG 9 HB1 ARG 9 67.175 -11.129 -7.156 38 1HG ARG 9 HG2 ARG 9 64.911 -12.301 -6.010 39 2HG ARG 9 HG1 ARG 9 66.173 -13.529 -5.940 40 1HD ARG 9 HD2 ARG 9 67.395 -11.108 -5.204 41 2HD ARG 9 HD1 ARG 9 65.847 -11.151 -4.355 42 HE ARG 9 HE ARG 9 66.664 -12.839 -3.045 43 1HH1 ARG 9 1HH1 ARG 9 68.693 -12.545 -5.872 44 2HH1 ARG 9 2HH1 ARG 9 69.869 -13.682 -5.300 45 1HH2 ARG 9 1HH2 ARG 9 68.212 -14.327 -2.289 46 2HH2 ARG 9 2HH2 ARG 9 69.598 -14.691 -3.260 47 H TYR 10 HN TYR 10 64.696 -10.286 -6.296 48 HA TYR 10 HA TYR 10 63.941 -7.847 -7.580 49 1HB TYR 10 HB2 TYR 10 63.897 -8.999 -4.859 50 2HB TYR 10 HB1 TYR 10 63.920 -7.247 -4.962 51 HD1 TYR 10 HD1 TYR 10 61.787 -6.354 -4.708 52 HD2 TYR 10 HD2 TYR 10 62.293 -9.963 -6.890 53 HE1 TYR 10 HE1 TYR 10 59.380 -6.380 -5.199 54 HE2 TYR 10 HE2 TYR 10 59.885 -10.005 -7.395 55 HH TYR 10 HH TYR 10 57.756 -7.351 -6.442 56 H LYS 11 HN LYS 11 64.853 -5.944 -5.782 57 HA LYS 11 HA LYS 11 67.336 -5.323 -6.903 58 1HB LYS 11 HB2 LYS 11 66.425 -3.932 -4.434 59 2HB LYS 11 HB1 LYS 11 67.169 -3.273 -5.877 60 1HG LYS 11 HG2 LYS 11 65.035 -3.710 -7.096 61 2HG LYS 11 HG1 LYS 11 64.317 -4.171 -5.541 62 1HD LYS 11 HD2 LYS 11 63.958 -2.039 -5.027 63 2HD LYS 11 HD1 LYS 11 65.666 -1.661 -5.254 64 1HE LYS 11 HE2 LYS 11 64.572 -1.927 -7.828 65 2HE LYS 11 HE1 LYS 11 63.408 -0.984 -6.898 66 1HZ LYS 11 HZ1 LYS 11 65.765 0.129 -6.200 67 2HZ LYS 11 HZ2 LYS 11 64.729 0.728 -7.398 68 3HZ LYS 11 HZ3 LYS 11 66.034 -0.262 -7.822 69 H THR 12 HN THR 12 68.760 -4.184 -4.825 70 HA THR 12 HA THR 12 69.556 -6.462 -3.150 71 HB THR 12 HB THR 12 71.031 -6.525 -5.052 72 HG1 THR 12 HG1 THR 12 72.983 -5.492 -3.686 73 1HG2 THR 12 1HG2 THR 12 70.669 -3.838 -5.276 74 2HG2 THR 12 2HG2 THR 12 71.905 -4.768 -6.123 75 3HG2 THR 12 3HG2 THR 12 72.303 -3.927 -4.623 76 H GLU 13 HN GLU 13 68.140 -3.978 -2.509 77 HA GLU 13 HA GLU 13 70.061 -2.794 -0.698 78 1HB GLU 13 HB2 GLU 13 68.270 -1.598 -2.631 79 2HB GLU 13 HB1 GLU 13 68.109 -0.917 -1.029 80 1HG GLU 13 HG2 GLU 13 70.123 0.076 -1.085 81 2HG GLU 13 HG1 GLU 13 70.860 -1.247 -1.987 82 H LEU 14 HN LEU 14 68.443 -1.289 0.910 83 HA LEU 14 HA LEU 14 66.135 -2.672 1.810 84 1HB LEU 14 HB2 LEU 14 67.242 -3.169 4.106 85 2HB LEU 14 HB1 LEU 14 67.363 -4.319 2.791 86 HG LEU 14 HG LEU 14 69.454 -3.728 4.271 87 1HD1 LEU 14 1HD1 LEU 14 70.364 -3.733 1.530 88 2HD1 LEU 14 2HD1 LEU 14 69.075 -4.895 1.806 89 3HD1 LEU 14 3HD1 LEU 14 70.536 -4.947 2.787 90 1HD2 LEU 14 1HD2 LEU 14 70.661 -1.984 2.531 91 2HD2 LEU 14 2HD2 LEU 14 70.106 -1.618 4.141 92 3HD2 LEU 14 3HD2 LEU 14 69.084 -1.277 2.768 93 H CYS 15 HN CYS 15 65.165 -1.750 3.702 94 HA CYS 15 HA CYS 15 65.568 1.044 3.876 95 1HB CYS 15 HB2 CYS 15 63.317 -0.166 4.015 96 2HB CYS 15 HB1 CYS 15 63.774 -0.628 5.654 97 H ARG 16 HN ARG 16 67.762 1.135 4.695 98 HA ARG 16 HA ARG 16 68.446 -0.105 7.148 99 1HB ARG 16 HB2 ARG 16 69.770 1.588 5.110 100 2HB ARG 16 HB1 ARG 16 70.393 1.742 6.749 101 1HG ARG 16 HG2 ARG 16 69.992 -0.943 5.535 102 2HG ARG 16 HG1 ARG 16 71.448 -0.004 5.207 103 1HD ARG 16 HD2 ARG 16 70.910 0.016 8.014 104 2HD ARG 16 HD1 ARG 16 70.872 -1.647 7.431 105 HE ARG 16 HE ARG 16 73.144 -0.209 6.465 106 1HH1 ARG 16 1HH1 ARG 16 71.870 -1.961 9.199 107 2HH1 ARG 16 2HH1 ARG 16 73.431 -2.386 9.816 108 1HH2 ARG 16 1HH2 ARG 16 75.203 -0.782 7.265 109 2HH2 ARG 16 2HH2 ARG 16 75.324 -1.720 8.717 110 H THR 17 HN THR 17 69.395 3.209 6.871 111 HA THR 17 HA THR 17 68.429 3.827 9.469 112 HB THR 17 HB THR 17 70.561 4.727 8.612 113 HG1 THR 17 HG1 THR 17 68.620 6.728 9.135 114 1HG2 THR 17 1HG2 THR 17 68.817 6.318 6.744 115 2HG2 THR 17 2HG2 THR 17 70.021 5.109 6.293 116 3HG2 THR 17 3HG2 THR 17 70.526 6.622 7.047 117 H TYR 18 HN TYR 18 67.354 4.145 6.289 118 HA TYR 18 HA TYR 18 65.713 6.325 6.179 119 1HB TYR 18 HB2 TYR 18 65.649 3.549 5.059 120 2HB TYR 18 HB1 TYR 18 64.431 4.726 4.610 121 HD1 TYR 18 HD1 TYR 18 64.876 5.137 2.400 122 HD2 TYR 18 HD2 TYR 18 68.092 5.276 5.150 123 HE1 TYR 18 HE1 TYR 18 66.318 6.066 0.651 124 HE2 TYR 18 HE2 TYR 18 69.559 6.168 3.407 125 HH TYR 18 HH TYR 18 69.205 5.951 0.402 126 H SER 19 HN SER 19 64.971 3.050 7.347 127 HA SER 19 HA SER 19 62.293 3.202 7.806 128 1HB SER 19 HB2 SER 19 63.599 1.149 8.081 129 2HB SER 19 HB1 SER 19 64.354 1.816 9.527 130 HG SER 19 HG SER 19 61.725 1.983 9.841 131 H GLU 20 HN GLU 20 64.683 5.002 9.407 132 HA GLU 20 HA GLU 20 62.919 5.582 11.664 133 1HB GLU 20 HB2 GLU 20 65.736 5.312 11.413 134 2HB GLU 20 HB1 GLU 20 65.398 6.978 11.868 135 1HG GLU 20 HG2 GLU 20 63.810 5.908 13.601 136 2HG GLU 20 HG1 GLU 20 64.776 4.457 13.321 137 H SER 21 HN SER 21 62.330 6.470 9.071 138 HA SER 21 HA SER 21 61.470 8.319 8.029 139 1HB SER 21 HB2 SER 21 61.094 8.877 10.640 140 2HB SER 21 HB1 SER 21 62.190 10.193 10.216 141 HG SER 21 HG SER 21 59.930 9.614 8.627 142 H GLY 22 HN GLY 22 64.502 7.692 8.303 143 1HA GLY 22 HA2 GLY 22 65.856 10.124 8.023 144 2HA GLY 22 HA1 GLY 22 66.490 8.546 7.586 145 H ARG 23 HN ARG 23 63.961 8.395 5.778 146 HA ARG 23 HA ARG 23 64.060 10.292 3.779 147 1HB ARG 23 HB2 ARG 23 66.436 9.497 3.710 148 2HB ARG 23 HB1 ARG 23 65.796 7.998 3.092 149 1HG ARG 23 HG2 ARG 23 64.992 10.470 1.721 150 2HG ARG 23 HG1 ARG 23 66.653 9.914 1.498 151 1HD ARG 23 HD2 ARG 23 65.941 8.420 0.000 152 2HD ARG 23 HD1 ARG 23 64.948 7.659 1.239 153 HE ARG 23 HE ARG 23 63.100 8.709 0.373 154 1HH1 ARG 23 1HH1 ARG 23 65.983 10.055 -1.054 155 2HH1 ARG 23 2HH1 ARG 23 65.113 11.024 -2.194 156 1HH2 ARG 23 1HH2 ARG 23 61.958 9.985 -1.110 157 2HH2 ARG 23 2HH2 ARG 23 62.825 10.984 -2.227 158 H CYS 24 HN CYS 24 64.458 6.862 3.449 159 HA CYS 24 HA CYS 24 63.189 5.194 2.637 160 1HB CYS 24 HB2 CYS 24 61.148 6.999 3.743 161 2HB CYS 24 HB1 CYS 24 60.585 5.777 2.615 162 H ARG 25 HN ARG 25 64.194 5.633 0.657 163 HA ARG 25 HA ARG 25 63.403 7.375 -1.319 164 1HB ARG 25 HB2 ARG 25 65.485 6.094 -1.319 165 2HB ARG 25 HB1 ARG 25 64.585 4.625 -1.614 166 1HG ARG 25 HG2 ARG 25 65.384 5.160 -3.708 167 2HG ARG 25 HG1 ARG 25 63.752 5.846 -3.741 168 1HD ARG 25 HD2 ARG 25 64.956 7.625 -4.534 169 2HD ARG 25 HD1 ARG 25 64.990 7.970 -2.808 170 HE ARG 25 HE ARG 25 67.238 7.153 -2.735 171 1HH1 ARG 25 1HH1 ARG 25 65.944 7.549 -5.960 172 2HH1 ARG 25 2HH1 ARG 25 67.503 7.597 -6.706 173 1HH2 ARG 25 1HH2 ARG 25 69.279 7.225 -3.722 174 2HH2 ARG 25 2HH2 ARG 25 69.396 7.413 -5.440 175 H TYR 26 HN TYR 26 61.726 4.668 -0.207 176 HA TYR 26 HA TYR 26 59.663 5.013 -2.235 177 1HB TYR 26 HB2 TYR 26 60.856 2.333 -1.459 178 2HB TYR 26 HB1 TYR 26 59.344 2.522 -2.339 179 HD1 TYR 26 HD1 TYR 26 60.106 4.700 -4.224 180 HD2 TYR 26 HD2 TYR 26 62.221 1.224 -2.999 181 HE1 TYR 26 HE1 TYR 26 61.307 4.685 -6.370 182 HE2 TYR 26 HE2 TYR 26 63.426 1.190 -5.135 183 HH TYR 26 HH TYR 26 62.695 2.311 -7.688 184 H GLY 27 HN GLY 27 59.615 6.085 0.252 185 1HA GLY 27 HA2 GLY 27 58.833 4.832 2.483 186 2HA GLY 27 HA1 GLY 27 58.020 6.283 1.930 187 H ALA 28 HN ALA 28 57.391 3.450 3.161 188 HA ALA 28 HA ALA 28 55.508 2.216 3.378 189 1HB ALA 28 HB1 ALA 28 54.511 4.409 1.677 190 2HB ALA 28 HB2 ALA 28 53.902 3.796 3.212 191 3HB ALA 28 HB3 ALA 28 53.554 2.929 1.718 192 H LYS 29 HN LYS 29 56.884 2.700 0.260 193 HA LYS 29 HA LYS 29 55.892 0.120 -0.594 194 1HB LYS 29 HB2 LYS 29 55.448 2.368 -1.882 195 2HB LYS 29 HB1 LYS 29 57.074 2.082 -2.485 196 1HG LYS 29 HG2 LYS 29 56.464 0.295 -3.713 197 2HG LYS 29 HG1 LYS 29 55.179 -0.167 -2.595 198 1HD LYS 29 HD2 LYS 29 54.372 0.668 -4.812 199 2HD LYS 29 HD1 LYS 29 53.739 1.550 -3.420 200 1HE LYS 29 HE2 LYS 29 55.671 3.179 -3.786 201 2HE LYS 29 HE1 LYS 29 55.873 2.395 -5.354 202 1HZ LYS 29 HZ1 LYS 29 54.469 4.391 -5.457 203 2HZ LYS 29 HZ2 LYS 29 53.355 3.657 -4.415 204 3HZ LYS 29 HZ3 LYS 29 53.641 3.004 -5.949 205 H CYS 30 HN CYS 30 58.516 1.388 0.790 206 HA CYS 30 HA CYS 30 60.556 0.618 -0.983 207 1HB CYS 30 HB2 CYS 30 62.055 0.784 1.023 208 2HB CYS 30 HB1 CYS 30 61.134 2.231 0.585 209 H GLN 31 HN GLN 31 61.374 -1.209 -1.467 210 HA GLN 31 HA GLN 31 61.004 -3.528 0.262 211 1HB GLN 31 HB2 GLN 31 61.546 -4.611 -2.128 212 2HB GLN 31 HB1 GLN 31 59.907 -4.251 -1.602 213 1HG GLN 31 HG2 GLN 31 59.747 -2.394 -2.978 214 2HG GLN 31 HG1 GLN 31 61.494 -2.229 -3.135 215 1HE2 GLN 31 1HE2 GLN 31 62.590 -3.461 -4.621 216 2HE2 GLN 31 2HE2 GLN 31 61.789 -4.376 -5.861 217 H PHE 32 HN PHE 32 63.143 -1.448 -1.400 218 HA PHE 32 HA PHE 32 65.441 -2.685 -0.203 219 1HB PHE 32 HB2 PHE 32 65.166 -2.666 -3.207 220 2HB PHE 32 HB1 PHE 32 66.663 -2.982 -2.349 221 HD1 PHE 32 HD1 PHE 32 63.285 -4.231 -3.049 222 HD2 PHE 32 HD2 PHE 32 67.122 -5.132 -1.453 223 HE1 PHE 32 HE1 PHE 32 62.718 -6.626 -3.034 224 HE2 PHE 32 HE2 PHE 32 66.562 -7.527 -1.430 225 HZ PHE 32 HZ PHE 32 64.360 -8.281 -2.231 226 H ALA 33 HN ALA 33 65.436 -0.858 -3.214 227 HA ALA 33 HA ALA 33 67.348 0.892 -2.985 228 1HB ALA 33 HB1 ALA 33 64.958 0.855 -4.412 229 2HB ALA 33 HB2 ALA 33 66.381 1.842 -4.736 230 3HB ALA 33 HB3 ALA 33 65.072 2.480 -3.737 231 H HIS 34 HN HIS 34 68.106 1.797 -1.174 232 HA HIS 34 HA HIS 34 66.723 4.024 -0.018 233 1HB HIS 34 HB2 HIS 34 66.638 1.362 1.247 234 2HB HIS 34 HB1 HIS 34 67.132 2.657 2.325 235 HD1 HIS 34 HD1 HIS 34 64.423 3.311 -0.233 236 HD2 HIS 34 HD2 HIS 34 64.961 2.572 3.786 237 HE1 HIS 34 HE1 HIS 34 62.195 3.767 0.911 238 H GLY 35 HN GLY 35 68.474 3.391 2.562 239 1HA GLY 35 HA2 GLY 35 70.549 5.063 2.203 240 2HA GLY 35 HA1 GLY 35 70.575 3.684 3.322 241 H LEU 36 HN LEU 36 71.674 1.902 2.826 242 HA LEU 36 HA LEU 36 73.557 2.142 0.593 243 1HB LEU 36 HB2 LEU 36 74.620 2.052 2.711 244 2HB LEU 36 HB1 LEU 36 73.623 0.709 3.235 245 HG LEU 36 HG LEU 36 74.900 -0.272 0.994 246 1HD1 LEU 36 1HD1 LEU 36 76.912 0.622 0.721 247 2HD1 LEU 36 2HD1 LEU 36 77.232 0.621 2.456 248 3HD1 LEU 36 3HD1 LEU 36 76.349 1.960 1.721 249 1HD2 LEU 36 1HD2 LEU 36 75.499 -1.900 2.426 250 2HD2 LEU 36 2HD2 LEU 36 74.488 -1.016 3.569 251 3HD2 LEU 36 3HD2 LEU 36 76.238 -0.768 3.560 252 H GLY 37 HN GLY 37 72.691 -0.795 2.345 253 1HA GLY 37 HA2 GLY 37 71.873 -2.800 1.654 254 2HA GLY 37 HA1 GLY 37 70.969 -1.904 0.459 255 H GLU 38 HN GLU 38 73.856 -3.612 1.172 256 HA GLU 38 HA GLU 38 74.225 -4.119 -1.688 257 1HB GLU 38 HB2 GLU 38 76.681 -3.640 -0.031 258 2HB GLU 38 HB1 GLU 38 76.481 -3.563 -1.773 259 1HG GLU 38 HG2 GLU 38 74.903 -1.530 -1.090 260 2HG GLU 38 HG1 GLU 38 76.009 -1.511 0.283 261 H LEU 39 HN LEU 39 73.004 -5.752 0.245 262 HA LEU 39 HA LEU 39 74.936 -7.627 1.257 263 1HB LEU 39 HB2 LEU 39 71.979 -8.057 0.934 264 2HB LEU 39 HB1 LEU 39 73.072 -9.013 1.917 265 HG LEU 39 HG LEU 39 72.841 -6.109 2.462 266 1HD1 LEU 39 1HD1 LEU 39 70.513 -6.926 2.256 267 2HD1 LEU 39 2HD1 LEU 39 70.918 -6.476 3.913 268 3HD1 LEU 39 3HD1 LEU 39 70.867 -8.177 3.445 269 1HD2 LEU 39 1HD2 LEU 39 73.746 -8.548 3.835 270 2HD2 LEU 39 2HD2 LEU 39 72.893 -7.378 4.842 271 3HD2 LEU 39 3HD2 LEU 39 74.335 -6.890 3.953 272 H ARG 40 HN ARG 40 73.471 -7.113 -1.731 273 HA ARG 40 HA ARG 40 74.426 -9.701 -2.697 274 1HB ARG 40 HB2 ARG 40 72.338 -9.231 -4.396 275 2HB ARG 40 HB1 ARG 40 72.300 -10.326 -3.029 276 1HG ARG 40 HG2 ARG 40 71.669 -7.671 -2.144 277 2HG ARG 40 HG1 ARG 40 70.655 -8.109 -3.516 278 1HD ARG 40 HD2 ARG 40 69.854 -10.054 -2.405 279 2HD ARG 40 HD1 ARG 40 71.051 -9.889 -1.123 280 HE ARG 40 HE ARG 40 69.209 -7.674 -1.384 281 1HH1 ARG 40 1HH1 ARG 40 69.880 -10.721 0.190 282 2HH1 ARG 40 2HH1 ARG 40 68.843 -10.393 1.536 283 1HH2 ARG 40 1HH2 ARG 40 67.851 -7.246 0.389 284 2HH2 ARG 40 2HH2 ARG 40 67.689 -8.424 1.648 285 H GLN 41 HN GLN 41 75.997 -7.526 -2.851 286 HA GLN 41 HA GLN 41 76.281 -7.233 -5.669 287 1HB GLN 41 HB2 GLN 41 75.689 -4.869 -3.898 288 2HB GLN 41 HB1 GLN 41 76.550 -4.691 -5.425 289 1HG GLN 41 HG2 GLN 41 73.953 -6.125 -5.425 290 2HG GLN 41 HG1 GLN 41 73.959 -4.373 -5.252 291 1HE2 GLN 41 1HE2 GLN 41 75.616 -6.823 -7.215 292 2HE2 GLN 41 2HE2 GLN 41 75.450 -5.978 -8.709 293 H ALA 42 HN ALA 42 77.447 -5.524 -2.793 294 HA ALA 42 HA ALA 42 79.505 -5.285 -1.882 295 1HB ALA 42 HB1 ALA 42 79.795 -7.891 -3.285 296 2HB ALA 42 HB2 ALA 42 79.929 -7.508 -1.570 297 3HB ALA 42 HB3 ALA 42 81.245 -7.102 -2.670 298 H ASN 43 HN ASN 43 78.760 -4.455 -4.832 299 HA ASN 43 HA ASN 43 81.416 -3.999 -5.910 300 1HB ASN 43 HB2 ASN 43 78.650 -3.842 -6.928 301 2HB ASN 43 HB1 ASN 43 79.758 -2.636 -7.578 302 1HD2 ASN 43 1HD2 ASN 43 81.225 -3.219 -9.055 303 2HD2 ASN 43 2HD2 ASN 43 81.442 -4.829 -9.644 Start of MODEL 13 1 H MET 4 HT1 MET 4 56.531 -19.048 -14.258 2 HA MET 4 HA MET 4 58.914 -17.634 -14.801 3 1HB MET 4 HB2 MET 4 56.352 -16.601 -16.041 4 2HB MET 4 HB1 MET 4 57.878 -15.732 -15.951 5 1HG MET 4 HG2 MET 4 58.260 -18.283 -17.209 6 2HG MET 4 HG1 MET 4 56.963 -17.393 -18.003 7 1HE MET 4 HE1 MET 4 57.933 -17.465 -19.982 8 2HE MET 4 HE2 MET 4 59.665 -17.335 -20.295 9 3HE MET 4 HE3 MET 4 58.613 -15.942 -20.553 10 H THR 5 HN THR 5 59.142 -16.047 -13.264 11 HA THR 5 HA THR 5 57.022 -14.852 -11.818 12 HB THR 5 HB THR 5 58.057 -16.004 -9.586 13 HG1 THR 5 HG1 THR 5 57.901 -18.110 -11.464 14 1HG2 THR 5 1HG2 THR 5 56.112 -17.717 -9.814 15 2HG2 THR 5 2HG2 THR 5 55.676 -16.743 -11.213 16 3HG2 THR 5 3HG2 THR 5 55.766 -15.997 -9.621 17 H THR 6 HN THR 6 60.101 -16.018 -10.504 18 HA THR 6 HA THR 6 61.000 -13.213 -10.360 19 HB THR 6 HB THR 6 62.552 -14.150 -8.552 20 HG1 THR 6 HG1 THR 6 62.046 -16.389 -9.252 21 1HG2 THR 6 1HG2 THR 6 60.371 -14.645 -7.022 22 2HG2 THR 6 2HG2 THR 6 59.667 -13.695 -8.331 23 3HG2 THR 6 3HG2 THR 6 61.002 -13.036 -7.384 24 H SER 7 HN SER 7 61.926 -13.169 -12.467 25 HA SER 7 HA SER 7 63.982 -15.103 -13.140 26 1HB SER 7 HB2 SER 7 64.019 -14.123 -15.290 27 2HB SER 7 HB1 SER 7 62.328 -14.044 -14.788 28 HG SER 7 HG SER 7 62.756 -11.864 -14.121 29 H SER 8 HN SER 8 64.002 -12.537 -11.134 30 HA SER 8 HA SER 8 66.826 -12.324 -11.115 31 1HB SER 8 HB2 SER 8 65.480 -10.553 -12.889 32 2HB SER 8 HB1 SER 8 66.109 -9.600 -11.546 33 HG SER 8 HG SER 8 67.440 -10.778 -13.587 34 H ARG 9 HN ARG 9 63.734 -11.633 -9.863 35 HA ARG 9 HA ARG 9 63.000 -11.093 -7.797 36 1HB ARG 9 HB2 ARG 9 65.569 -12.144 -7.333 37 2HB ARG 9 HB1 ARG 9 65.455 -10.684 -6.359 38 1HG ARG 9 HG2 ARG 9 63.029 -11.979 -5.967 39 2HG ARG 9 HG1 ARG 9 64.230 -13.271 -5.968 40 1HD ARG 9 HD2 ARG 9 64.983 -10.881 -4.435 41 2HD ARG 9 HD1 ARG 9 63.587 -11.753 -3.809 42 HE ARG 9 HE ARG 9 66.082 -13.191 -4.390 43 1HH1 ARG 9 1HH1 ARG 9 63.688 -12.124 -2.070 44 2HH1 ARG 9 2HH1 ARG 9 64.272 -13.162 -0.813 45 1HH2 ARG 9 1HH2 ARG 9 66.830 -14.555 -2.736 46 2HH2 ARG 9 2HH2 ARG 9 66.055 -14.535 -1.190 47 H TYR 10 HN TYR 10 63.786 -9.350 -5.894 48 HA TYR 10 HA TYR 10 63.421 -6.850 -7.234 49 1HB TYR 10 HB2 TYR 10 63.243 -7.911 -4.500 50 2HB TYR 10 HB1 TYR 10 63.662 -6.218 -4.623 51 HD1 TYR 10 HD1 TYR 10 61.814 -4.808 -4.394 52 HD2 TYR 10 HD2 TYR 10 61.390 -8.517 -6.421 53 HE1 TYR 10 HE1 TYR 10 59.459 -4.271 -4.870 54 HE2 TYR 10 HE2 TYR 10 59.033 -8.001 -6.900 55 HH TYR 10 HH TYR 10 57.715 -4.905 -6.484 56 H LYS 11 HN LYS 11 64.810 -5.182 -5.396 57 HA LYS 11 HA LYS 11 67.303 -5.070 -6.729 58 1HB LYS 11 HB2 LYS 11 66.805 -3.356 -4.354 59 2HB LYS 11 HB1 LYS 11 67.512 -2.936 -5.908 60 1HG LYS 11 HG2 LYS 11 64.816 -3.647 -6.386 61 2HG LYS 11 HG1 LYS 11 64.845 -2.558 -4.991 62 1HD LYS 11 HD2 LYS 11 65.291 -0.797 -6.285 63 2HD LYS 11 HD1 LYS 11 66.590 -1.651 -7.121 64 1HE LYS 11 HE2 LYS 11 64.850 -2.832 -8.465 65 2HE LYS 11 HE1 LYS 11 63.636 -1.795 -7.718 66 1HZ LYS 11 HZ1 LYS 11 64.502 -1.105 -9.966 67 2HZ LYS 11 HZ2 LYS 11 65.951 -0.697 -9.195 68 3HZ LYS 11 HZ3 LYS 11 64.515 0.088 -8.765 69 H THR 12 HN THR 12 68.996 -4.095 -4.804 70 HA THR 12 HA THR 12 69.380 -6.354 -2.954 71 HB THR 12 HB THR 12 70.883 -6.756 -4.760 72 HG1 THR 12 HG1 THR 12 72.890 -5.718 -3.396 73 1HG2 THR 12 1HG2 THR 12 72.086 -4.031 -4.464 74 2HG2 THR 12 2HG2 THR 12 70.836 -4.393 -5.652 75 3HG2 THR 12 3HG2 THR 12 72.385 -5.236 -5.717 76 H GLU 13 HN GLU 13 68.189 -3.987 -2.225 77 HA GLU 13 HA GLU 13 70.240 -2.704 -0.664 78 1HB GLU 13 HB2 GLU 13 68.246 -1.572 -2.419 79 2HB GLU 13 HB1 GLU 13 68.174 -0.912 -0.804 80 1HG GLU 13 HG2 GLU 13 70.172 0.119 -0.953 81 2HG GLU 13 HG1 GLU 13 70.841 -1.131 -1.996 82 H LEU 14 HN LEU 14 68.825 -1.303 1.190 83 HA LEU 14 HA LEU 14 66.747 -2.947 2.319 84 1HB LEU 14 HB2 LEU 14 68.144 -3.051 4.532 85 2HB LEU 14 HB1 LEU 14 68.261 -4.302 3.315 86 HG LEU 14 HG LEU 14 70.413 -3.508 4.413 87 1HD1 LEU 14 1HD1 LEU 14 70.432 -3.304 1.438 88 2HD1 LEU 14 2HD1 LEU 14 70.142 -4.810 2.298 89 3HD1 LEU 14 3HD1 LEU 14 71.668 -3.960 2.512 90 1HD2 LEU 14 1HD2 LEU 14 70.701 -1.299 4.426 91 2HD2 LEU 14 2HD2 LEU 14 69.612 -1.036 3.072 92 3HD2 LEU 14 3HD2 LEU 14 71.271 -1.534 2.783 93 H CYS 15 HN CYS 15 65.375 -1.792 3.562 94 HA CYS 15 HA CYS 15 65.749 0.959 3.849 95 1HB CYS 15 HB2 CYS 15 63.502 -0.125 3.707 96 2HB CYS 15 HB1 CYS 15 63.764 -0.817 5.305 97 H ARG 16 HN ARG 16 67.763 1.287 4.971 98 HA ARG 16 HA ARG 16 68.148 0.085 7.552 99 1HB ARG 16 HB2 ARG 16 69.766 1.707 5.644 100 2HB ARG 16 HB1 ARG 16 70.187 1.803 7.345 101 1HG ARG 16 HG2 ARG 16 70.462 -0.599 7.459 102 2HG ARG 16 HG1 ARG 16 70.011 -0.735 5.761 103 1HD ARG 16 HD2 ARG 16 72.377 -0.799 5.811 104 2HD ARG 16 HD1 ARG 16 71.950 0.824 5.267 105 HE ARG 16 HE ARG 16 72.447 0.448 8.117 106 1HH1 ARG 16 1HH1 ARG 16 73.642 1.592 5.038 107 2HH1 ARG 16 2HH1 ARG 16 74.855 2.601 5.750 108 1HH2 ARG 16 1HH2 ARG 16 74.017 1.807 9.041 109 2HH2 ARG 16 2HH2 ARG 16 75.059 2.733 8.015 110 H THR 17 HN THR 17 69.306 3.308 7.282 111 HA THR 17 HA THR 17 68.082 4.124 9.677 112 HB THR 17 HB THR 17 70.231 5.045 8.922 113 HG1 THR 17 HG1 THR 17 69.434 7.393 9.064 114 1HG2 THR 17 1HG2 THR 17 69.883 5.231 6.533 115 2HG2 THR 17 2HG2 THR 17 70.321 6.792 7.217 116 3HG2 THR 17 3HG2 THR 17 68.643 6.461 6.789 117 H TYR 18 HN TYR 18 67.197 4.194 6.428 118 HA TYR 18 HA TYR 18 65.499 6.291 6.071 119 1HB TYR 18 HB2 TYR 18 65.587 3.455 5.098 120 2HB TYR 18 HB1 TYR 18 64.400 4.590 4.489 121 HD1 TYR 18 HD1 TYR 18 65.032 4.921 2.286 122 HD2 TYR 18 HD2 TYR 18 68.011 5.196 5.292 123 HE1 TYR 18 HE1 TYR 18 66.599 5.858 0.648 124 HE2 TYR 18 HE2 TYR 18 69.596 6.077 3.654 125 HH TYR 18 HH TYR 18 68.608 6.805 0.340 126 H SER 19 HN SER 19 64.683 3.027 7.265 127 HA SER 19 HA SER 19 61.969 3.338 7.567 128 1HB SER 19 HB2 SER 19 61.970 1.350 8.834 129 2HB SER 19 HB1 SER 19 63.396 1.204 7.812 130 HG SER 19 HG SER 19 64.368 0.888 9.641 131 H GLU 20 HN GLU 20 64.523 4.266 9.709 132 HA GLU 20 HA GLU 20 62.994 4.809 12.008 133 1HB GLU 20 HB2 GLU 20 65.669 4.927 11.344 134 2HB GLU 20 HB1 GLU 20 65.259 6.618 11.592 135 1HG GLU 20 HG2 GLU 20 64.258 5.900 13.810 136 2HG GLU 20 HG1 GLU 20 65.062 4.348 13.544 137 H SER 21 HN SER 21 63.888 6.791 9.249 138 HA SER 21 HA SER 21 61.785 8.357 8.828 139 1HB SER 21 HB2 SER 21 62.207 10.467 10.193 140 2HB SER 21 HB1 SER 21 61.518 9.107 11.075 141 HG SER 21 HG SER 21 63.426 8.789 12.088 142 H GLY 22 HN GLY 22 64.778 7.607 8.206 143 1HA GLY 22 HA2 GLY 22 66.141 9.950 7.613 144 2HA GLY 22 HA1 GLY 22 66.450 8.393 6.870 145 H ARG 23 HN ARG 23 65.500 7.901 4.949 146 HA ARG 23 HA ARG 23 64.331 10.171 3.483 147 1HB ARG 23 HB2 ARG 23 66.673 9.518 2.891 148 2HB ARG 23 HB1 ARG 23 66.029 7.983 2.357 149 1HG ARG 23 HG2 ARG 23 64.785 10.377 1.206 150 2HG ARG 23 HG1 ARG 23 66.449 10.040 0.726 151 1HD ARG 23 HD2 ARG 23 65.646 7.650 0.254 152 2HD ARG 23 HD1 ARG 23 64.013 8.299 0.369 153 HE ARG 23 HE ARG 23 65.641 8.420 -1.861 154 1HH1 ARG 23 1HH1 ARG 23 63.580 10.550 -0.027 155 2HH1 ARG 23 2HH1 ARG 23 63.379 11.673 -1.330 156 1HH2 ARG 23 1HH2 ARG 23 65.356 9.843 -3.568 157 2HH2 ARG 23 2HH2 ARG 23 64.390 11.266 -3.357 158 H CYS 24 HN CYS 24 64.720 6.760 3.072 159 HA CYS 24 HA CYS 24 63.356 5.048 2.505 160 1HB CYS 24 HB2 CYS 24 61.408 6.993 3.542 161 2HB CYS 24 HB1 CYS 24 60.756 5.771 2.460 162 H ARG 25 HN ARG 25 64.361 5.327 0.485 163 HA ARG 25 HA ARG 25 63.609 6.972 -1.597 164 1HB ARG 25 HB2 ARG 25 65.675 5.670 -1.523 165 2HB ARG 25 HB1 ARG 25 64.761 4.194 -1.684 166 1HG ARG 25 HG2 ARG 25 65.531 4.497 -3.828 167 2HG ARG 25 HG1 ARG 25 63.931 5.243 -3.916 168 1HD ARG 25 HD2 ARG 25 64.993 7.026 -4.758 169 2HD ARG 25 HD1 ARG 25 65.529 7.324 -3.108 170 HE ARG 25 HE ARG 25 67.131 5.716 -4.981 171 1HH1 ARG 25 1HH1 ARG 25 66.864 8.444 -2.804 172 2HH1 ARG 25 2HH1 ARG 25 68.562 8.760 -2.801 173 1HH2 ARG 25 1HH2 ARG 25 69.345 6.164 -5.002 174 2HH2 ARG 25 2HH2 ARG 25 69.972 7.470 -4.051 175 H TYR 26 HN TYR 26 61.778 4.487 -0.284 176 HA TYR 26 HA TYR 26 59.820 4.650 -2.440 177 1HB TYR 26 HB2 TYR 26 60.972 2.101 -1.285 178 2HB TYR 26 HB1 TYR 26 59.419 2.135 -2.104 179 HD1 TYR 26 HD1 TYR 26 60.419 4.198 -4.258 180 HD2 TYR 26 HD2 TYR 26 61.933 0.516 -2.759 181 HE1 TYR 26 HE1 TYR 26 61.558 3.800 -6.401 182 HE2 TYR 26 HE2 TYR 26 63.085 0.119 -4.889 183 HH TYR 26 HH TYR 26 63.673 0.995 -6.869 184 H GLY 27 HN GLY 27 59.645 6.071 -0.188 185 1HA GLY 27 HA2 GLY 27 58.762 5.190 2.177 186 2HA GLY 27 HA1 GLY 27 58.006 6.555 1.371 187 H ALA 28 HN ALA 28 57.434 3.701 2.839 188 HA ALA 28 HA ALA 28 55.492 2.587 3.223 189 1HB ALA 28 HB1 ALA 28 53.599 3.672 2.789 190 2HB ALA 28 HB2 ALA 28 53.831 3.495 1.049 191 3HB ALA 28 HB3 ALA 28 54.566 4.850 1.905 192 H LYS 29 HN LYS 29 56.916 2.713 0.105 193 HA LYS 29 HA LYS 29 55.875 0.091 -0.537 194 1HB LYS 29 HB2 LYS 29 55.419 2.188 -2.013 195 2HB LYS 29 HB1 LYS 29 57.074 1.922 -2.544 196 1HG LYS 29 HG2 LYS 29 56.580 -0.057 -3.568 197 2HG LYS 29 HG1 LYS 29 55.140 -0.317 -2.575 198 1HD LYS 29 HD2 LYS 29 54.570 0.298 -4.894 199 2HD LYS 29 HD1 LYS 29 53.992 1.485 -3.722 200 1HE LYS 29 HE2 LYS 29 56.343 2.590 -4.210 201 2HE LYS 29 HE1 LYS 29 56.185 1.702 -5.727 202 1HZ LYS 29 HZ1 LYS 29 55.285 3.847 -6.068 203 2HZ LYS 29 HZ2 LYS 29 54.358 3.774 -4.655 204 3HZ LYS 29 HZ3 LYS 29 53.963 2.789 -5.971 205 H CYS 30 HN CYS 30 58.450 1.221 0.878 206 HA CYS 30 HA CYS 30 60.520 0.392 -0.901 207 1HB CYS 30 HB2 CYS 30 62.031 0.714 1.041 208 2HB CYS 30 HB1 CYS 30 61.059 2.122 0.596 209 H GLN 31 HN GLN 31 61.499 -1.379 -1.148 210 HA GLN 31 HA GLN 31 61.203 -3.573 0.763 211 1HB GLN 31 HB2 GLN 31 60.276 -3.497 -1.894 212 2HB GLN 31 HB1 GLN 31 61.644 -4.608 -1.851 213 1HG GLN 31 HG2 GLN 31 60.258 -5.349 0.358 214 2HG GLN 31 HG1 GLN 31 58.966 -4.854 -0.735 215 1HE2 GLN 31 1HE2 GLN 31 58.574 -6.010 -2.569 216 2HE2 GLN 31 2HE2 GLN 31 59.273 -7.568 -2.875 217 H PHE 32 HN PHE 32 63.187 -1.638 -1.203 218 HA PHE 32 HA PHE 32 65.553 -2.858 -0.133 219 1HB PHE 32 HB2 PHE 32 64.990 -2.964 -3.079 220 2HB PHE 32 HB1 PHE 32 66.591 -3.165 -2.388 221 HD1 PHE 32 HD1 PHE 32 63.301 -4.630 -2.820 222 HD2 PHE 32 HD2 PHE 32 67.192 -5.155 -1.208 223 HE1 PHE 32 HE1 PHE 32 62.879 -7.054 -2.601 224 HE2 PHE 32 HE2 PHE 32 66.783 -7.573 -0.971 225 HZ PHE 32 HZ PHE 32 64.622 -8.525 -1.674 226 H ALA 33 HN ALA 33 65.392 -1.118 -3.210 227 HA ALA 33 HA ALA 33 67.358 0.595 -3.041 228 1HB ALA 33 HB1 ALA 33 64.607 1.523 -3.831 229 2HB ALA 33 HB2 ALA 33 65.737 0.665 -4.876 230 3HB ALA 33 HB3 ALA 33 66.131 2.282 -4.289 231 H HIS 34 HN HIS 34 68.127 1.383 -1.190 232 HA HIS 34 HA HIS 34 66.880 3.671 0.009 233 1HB HIS 34 HB2 HIS 34 66.571 0.987 1.192 234 2HB HIS 34 HB1 HIS 34 67.168 2.187 2.304 235 HD1 HIS 34 HD1 HIS 34 64.475 2.919 -0.279 236 HD2 HIS 34 HD2 HIS 34 65.032 2.439 3.780 237 HE1 HIS 34 HE1 HIS 34 62.303 3.593 0.850 238 H GLY 35 HN GLY 35 68.288 3.386 2.534 239 1HA GLY 35 HA2 GLY 35 70.709 4.528 2.148 240 2HA GLY 35 HA1 GLY 35 70.293 3.553 3.556 241 H LEU 36 HN LEU 36 72.310 3.829 0.915 242 HA LEU 36 HA LEU 36 73.911 2.510 -0.005 243 1HB LEU 36 HB2 LEU 36 74.488 2.613 2.439 244 2HB LEU 36 HB1 LEU 36 73.758 1.039 2.625 245 HG LEU 36 HG LEU 36 75.682 1.047 0.471 246 1HD1 LEU 36 1HD1 LEU 36 76.668 2.854 1.843 247 2HD1 LEU 36 2HD1 LEU 36 77.681 1.412 1.765 248 3HD1 LEU 36 3HD1 LEU 36 76.725 1.744 3.211 249 1HD2 LEU 36 1HD2 LEU 36 75.422 -0.463 3.074 250 2HD2 LEU 36 2HD2 LEU 36 76.606 -0.832 1.817 251 3HD2 LEU 36 3HD2 LEU 36 74.882 -0.983 1.478 252 H GLY 37 HN GLY 37 72.802 -0.245 1.905 253 1HA GLY 37 HA2 GLY 37 71.819 -2.196 1.342 254 2HA GLY 37 HA1 GLY 37 71.016 -1.335 0.068 255 H GLU 38 HN GLU 38 73.582 -3.369 0.968 256 HA GLU 38 HA GLU 38 74.107 -3.983 -1.852 257 1HB GLU 38 HB2 GLU 38 76.334 -3.713 0.170 258 2HB GLU 38 HB1 GLU 38 76.486 -3.952 -1.564 259 1HG GLU 38 HG2 GLU 38 75.083 -1.639 -1.480 260 2HG GLU 38 HG1 GLU 38 76.049 -1.512 -0.016 261 H LEU 39 HN LEU 39 72.442 -5.433 -0.154 262 HA LEU 39 HA LEU 39 73.612 -7.467 1.331 263 1HB LEU 39 HB2 LEU 39 71.145 -7.787 -0.360 264 2HB LEU 39 HB1 LEU 39 71.586 -8.734 1.051 265 HG LEU 39 HG LEU 39 71.416 -5.850 1.507 266 1HD1 LEU 39 1HD1 LEU 39 69.214 -7.328 0.275 267 2HD1 LEU 39 2HD1 LEU 39 69.458 -5.591 0.442 268 3HD1 LEU 39 3HD1 LEU 39 68.779 -6.519 1.781 269 1HD2 LEU 39 1HD2 LEU 39 71.815 -7.370 3.331 270 2HD2 LEU 39 2HD2 LEU 39 70.360 -8.282 2.934 271 3HD2 LEU 39 3HD2 LEU 39 70.228 -6.630 3.527 272 H ARG 40 HN ARG 40 73.500 -7.109 -2.069 273 HA ARG 40 HA ARG 40 74.857 -9.694 -2.383 274 1HB ARG 40 HB2 ARG 40 73.749 -10.137 -4.399 275 2HB ARG 40 HB1 ARG 40 72.489 -9.559 -3.317 276 1HG ARG 40 HG2 ARG 40 71.922 -8.127 -4.884 277 2HG ARG 40 HG1 ARG 40 73.439 -7.277 -4.577 278 1HD ARG 40 HD2 ARG 40 74.291 -9.275 -6.177 279 2HD ARG 40 HD1 ARG 40 72.658 -9.039 -6.801 280 HE ARG 40 HE ARG 40 73.721 -6.523 -6.645 281 1HH1 ARG 40 1HH1 ARG 40 74.607 -9.500 -8.221 282 2HH1 ARG 40 2HH1 ARG 40 75.418 -8.713 -9.533 283 1HH2 ARG 40 1HH2 ARG 40 74.760 -5.480 -8.389 284 2HH2 ARG 40 2HH2 ARG 40 75.492 -6.432 -9.635 285 H GLN 41 HN GLN 41 76.171 -7.310 -1.814 286 HA GLN 41 HA GLN 41 77.974 -7.180 -4.011 287 1HB GLN 41 HB2 GLN 41 76.236 -4.844 -3.294 288 2HB GLN 41 HB1 GLN 41 77.828 -4.601 -3.989 289 1HG GLN 41 HG2 GLN 41 75.830 -6.378 -5.321 290 2HG GLN 41 HG1 GLN 41 75.778 -4.627 -5.541 291 1HE2 GLN 41 1HE2 GLN 41 76.928 -3.828 -7.168 292 2HE2 GLN 41 2HE2 GLN 41 78.259 -4.607 -7.947 293 H ALA 42 HN ALA 42 78.382 -8.124 -1.495 294 HA ALA 42 HA ALA 42 79.281 -6.318 0.408 295 1HB ALA 42 HB1 ALA 42 79.170 -9.121 0.120 296 2HB ALA 42 HB2 ALA 42 79.457 -8.188 1.586 297 3HB ALA 42 HB3 ALA 42 80.818 -8.708 0.594 298 H ASN 43 HN ASN 43 81.594 -8.488 -1.187 299 HA ASN 43 HA ASN 43 83.701 -8.145 -1.978 300 1HB ASN 43 HB2 ASN 43 82.151 -5.928 -2.938 301 2HB ASN 43 HB1 ASN 43 83.778 -5.374 -2.558 302 1HD2 ASN 43 1HD2 ASN 43 84.701 -5.166 -4.481 303 2HD2 ASN 43 2HD2 ASN 43 84.827 -6.413 -5.669 Start of MODEL 14 1 H MET 4 HT1 MET 4 77.462 -15.220 -10.718 2 HA MET 4 HA MET 4 75.721 -14.087 -8.856 3 1HB MET 4 HB2 MET 4 78.040 -12.913 -10.407 4 2HB MET 4 HB1 MET 4 77.428 -12.351 -8.858 5 1HG MET 4 HG2 MET 4 78.555 -13.899 -7.710 6 2HG MET 4 HG1 MET 4 78.194 -15.171 -8.875 7 1HE MET 4 HE1 MET 4 81.542 -12.533 -8.114 8 2HE MET 4 HE2 MET 4 81.893 -14.211 -7.704 9 3HE MET 4 HE3 MET 4 80.422 -13.446 -7.102 10 H THR 5 HN THR 5 74.112 -14.358 -11.109 11 HA THR 5 HA THR 5 73.288 -11.621 -11.492 12 HB THR 5 HB THR 5 74.812 -11.679 -13.306 13 HG1 THR 5 HG1 THR 5 73.325 -10.916 -14.543 14 1HG2 THR 5 1HG2 THR 5 75.165 -13.389 -14.812 15 2HG2 THR 5 2HG2 THR 5 73.617 -14.155 -14.463 16 3HG2 THR 5 3HG2 THR 5 74.932 -14.254 -13.292 17 H THR 6 HN THR 6 71.593 -12.715 -10.207 18 HA THR 6 HA THR 6 69.952 -14.694 -11.502 19 HB THR 6 HB THR 6 68.406 -14.206 -9.536 20 HG1 THR 6 HG1 THR 6 68.920 -12.683 -8.183 21 1HG2 THR 6 1HG2 THR 6 70.225 -14.970 -7.807 22 2HG2 THR 6 2HG2 THR 6 71.183 -15.221 -9.267 23 3HG2 THR 6 3HG2 THR 6 69.643 -16.058 -9.067 24 H SER 7 HN SER 7 68.394 -14.317 -12.932 25 HA SER 7 HA SER 7 67.394 -11.568 -13.227 26 1HB SER 7 HB2 SER 7 66.549 -12.609 -15.485 27 2HB SER 7 HB1 SER 7 68.246 -12.159 -15.306 28 HG SER 7 HG SER 7 67.701 -14.351 -16.166 29 H SER 8 HN SER 8 66.045 -12.163 -11.279 30 HA SER 8 HA SER 8 63.380 -12.610 -12.087 31 1HB SER 8 HB2 SER 8 62.898 -14.730 -11.035 32 2HB SER 8 HB1 SER 8 64.213 -14.965 -12.185 33 HG SER 8 HG SER 8 65.667 -14.851 -10.415 34 H ARG 9 HN ARG 9 65.522 -13.096 -9.283 35 HA ARG 9 HA ARG 9 63.643 -12.265 -7.351 36 1HB ARG 9 HB2 ARG 9 65.640 -13.582 -6.791 37 2HB ARG 9 HB1 ARG 9 66.666 -12.227 -7.231 38 1HG ARG 9 HG2 ARG 9 66.445 -12.418 -4.817 39 2HG ARG 9 HG1 ARG 9 65.746 -10.908 -5.400 40 1HD ARG 9 HD2 ARG 9 63.823 -11.424 -4.410 41 2HD ARG 9 HD1 ARG 9 63.695 -12.869 -5.415 42 HE ARG 9 HE ARG 9 64.464 -12.732 -2.651 43 1HH1 ARG 9 1HH1 ARG 9 64.654 -14.605 -5.587 44 2HH1 ARG 9 2HH1 ARG 9 64.951 -16.097 -4.763 45 1HH2 ARG 9 1HH2 ARG 9 64.846 -14.693 -1.568 46 2HH2 ARG 9 2HH2 ARG 9 65.055 -16.148 -2.485 47 H TYR 10 HN TYR 10 63.900 -10.335 -5.962 48 HA TYR 10 HA TYR 10 63.804 -7.978 -7.554 49 1HB TYR 10 HB2 TYR 10 63.240 -8.776 -4.767 50 2HB TYR 10 HB1 TYR 10 63.640 -7.090 -5.023 51 HD1 TYR 10 HD1 TYR 10 61.739 -5.764 -5.102 52 HD2 TYR 10 HD2 TYR 10 61.681 -9.616 -6.894 53 HE1 TYR 10 HE1 TYR 10 59.443 -5.356 -5.884 54 HE2 TYR 10 HE2 TYR 10 59.380 -9.222 -7.685 55 HH TYR 10 HH TYR 10 57.751 -6.119 -7.136 56 H LYS 11 HN LYS 11 64.858 -6.068 -5.848 57 HA LYS 11 HA LYS 11 67.523 -6.036 -6.690 58 1HB LYS 11 HB2 LYS 11 66.479 -4.203 -4.565 59 2HB LYS 11 HB1 LYS 11 67.631 -3.869 -5.850 60 1HG LYS 11 HG2 LYS 11 65.688 -4.239 -7.463 61 2HG LYS 11 HG1 LYS 11 64.650 -4.124 -6.029 62 1HD LYS 11 HD2 LYS 11 65.300 -1.904 -5.608 63 2HD LYS 11 HD1 LYS 11 66.685 -2.014 -6.694 64 1HE LYS 11 HE2 LYS 11 65.027 -0.731 -7.811 65 2HE LYS 11 HE1 LYS 11 65.058 -2.318 -8.580 66 1HZ LYS 11 HZ1 LYS 11 62.839 -1.081 -7.693 67 2HZ LYS 11 HZ2 LYS 11 63.190 -2.105 -6.393 68 3HZ LYS 11 HZ3 LYS 11 62.976 -2.748 -7.941 69 H THR 12 HN THR 12 68.944 -4.927 -4.666 70 HA THR 12 HA THR 12 69.198 -7.122 -2.707 71 HB THR 12 HB THR 12 70.993 -7.359 -4.195 72 HG1 THR 12 HG1 THR 12 72.578 -5.900 -2.586 73 1HG2 THR 12 1HG2 THR 12 72.547 -5.161 -4.347 74 2HG2 THR 12 2HG2 THR 12 70.944 -4.429 -4.325 75 3HG2 THR 12 3HG2 THR 12 71.354 -5.618 -5.561 76 H GLU 13 HN GLU 13 68.319 -3.978 -2.905 77 HA GLU 13 HA GLU 13 69.897 -2.978 -0.762 78 1HB GLU 13 HB2 GLU 13 67.962 -1.870 -2.686 79 2HB GLU 13 HB1 GLU 13 68.082 -1.068 -1.144 80 1HG GLU 13 HG2 GLU 13 69.984 -0.077 -1.682 81 2HG GLU 13 HG1 GLU 13 70.687 -1.590 -2.252 82 H LEU 14 HN LEU 14 68.508 -1.527 0.881 83 HA LEU 14 HA LEU 14 66.090 -2.758 1.775 84 1HB LEU 14 HB2 LEU 14 67.128 -3.138 4.113 85 2HB LEU 14 HB1 LEU 14 67.274 -4.368 2.877 86 HG LEU 14 HG LEU 14 69.296 -3.782 4.401 87 1HD1 LEU 14 1HD1 LEU 14 69.242 -4.437 1.525 88 2HD1 LEU 14 2HD1 LEU 14 69.838 -5.362 2.898 89 3HD1 LEU 14 3HD1 LEU 14 70.801 -4.041 2.242 90 1HD2 LEU 14 1HD2 LEU 14 70.319 -1.845 4.192 91 2HD2 LEU 14 2HD2 LEU 14 68.994 -1.291 3.188 92 3HD2 LEU 14 3HD2 LEU 14 70.412 -2.007 2.452 93 H CYS 15 HN CYS 15 65.288 -1.772 3.794 94 HA CYS 15 HA CYS 15 65.718 1.064 3.740 95 1HB CYS 15 HB2 CYS 15 63.425 0.038 3.750 96 2HB CYS 15 HB1 CYS 15 63.746 -0.578 5.366 97 H ARG 16 HN ARG 16 67.918 1.006 4.679 98 HA ARG 16 HA ARG 16 68.361 -0.130 7.225 99 1HB ARG 16 HB2 ARG 16 69.936 1.394 5.211 100 2HB ARG 16 HB1 ARG 16 70.485 1.478 6.883 101 1HG ARG 16 HG2 ARG 16 69.822 -1.180 5.768 102 2HG ARG 16 HG1 ARG 16 71.334 -0.406 5.289 103 1HD ARG 16 HD2 ARG 16 70.761 -0.315 8.158 104 2HD ARG 16 HD1 ARG 16 70.992 -1.938 7.507 105 HE ARG 16 HE ARG 16 72.997 0.032 6.791 106 1HH1 ARG 16 1HH1 ARG 16 72.082 -2.565 8.936 107 2HH1 ARG 16 2HH1 ARG 16 73.712 -2.929 9.387 108 1HH2 ARG 16 1HH2 ARG 16 75.133 -0.447 7.381 109 2HH2 ARG 16 2HH2 ARG 16 75.444 -1.727 8.507 110 H THR 17 HN THR 17 69.640 3.054 6.886 111 HA THR 17 HA THR 17 68.677 3.852 9.407 112 HB THR 17 HB THR 17 70.791 4.698 8.519 113 HG1 THR 17 HG1 THR 17 70.552 6.601 9.428 114 1HG2 THR 17 1HG2 THR 17 69.225 5.377 6.227 115 2HG2 THR 17 2HG2 THR 17 70.974 5.372 6.431 116 3HG2 THR 17 3HG2 THR 17 70.039 6.805 6.859 117 H TYR 18 HN TYR 18 67.389 3.942 6.294 118 HA TYR 18 HA TYR 18 65.735 6.165 6.255 119 1HB TYR 18 HB2 TYR 18 65.616 3.426 5.014 120 2HB TYR 18 HB1 TYR 18 64.460 4.678 4.628 121 HD1 TYR 18 HD1 TYR 18 64.907 5.198 2.409 122 HD2 TYR 18 HD2 TYR 18 68.144 4.979 5.112 123 HE1 TYR 18 HE1 TYR 18 66.390 6.163 0.709 124 HE2 TYR 18 HE2 TYR 18 69.650 5.919 3.435 125 HH TYR 18 HH TYR 18 68.737 7.546 0.867 126 H SER 19 HN SER 19 65.118 2.827 7.313 127 HA SER 19 HA SER 19 62.446 2.920 7.865 128 1HB SER 19 HB2 SER 19 64.460 1.090 8.244 129 2HB SER 19 HB1 SER 19 63.944 1.437 9.895 130 HG SER 19 HG SER 19 62.568 0.206 7.816 131 H GLU 20 HN GLU 20 64.835 4.705 9.450 132 HA GLU 20 HA GLU 20 63.238 5.048 11.862 133 1HB GLU 20 HB2 GLU 20 66.055 5.191 11.245 134 2HB GLU 20 HB1 GLU 20 65.517 6.677 12.023 135 1HG GLU 20 HG2 GLU 20 65.149 5.678 13.984 136 2HG GLU 20 HG1 GLU 20 64.504 4.216 13.226 137 H SER 21 HN SER 21 62.344 5.980 9.357 138 HA SER 21 HA SER 21 61.180 7.757 8.517 139 1HB SER 21 HB2 SER 21 61.978 9.596 10.716 140 2HB SER 21 HB1 SER 21 60.402 9.352 9.965 141 HG SER 21 HG SER 21 60.124 7.509 11.166 142 H GLY 22 HN GLY 22 64.284 7.459 8.367 143 1HA GLY 22 HA2 GLY 22 65.412 9.983 8.089 144 2HA GLY 22 HA1 GLY 22 66.002 8.530 7.303 145 H ARG 23 HN ARG 23 65.341 8.069 5.243 146 HA ARG 23 HA ARG 23 64.194 10.330 3.769 147 1HB ARG 23 HB2 ARG 23 66.583 9.652 3.312 148 2HB ARG 23 HB1 ARG 23 65.928 8.181 2.638 149 1HG ARG 23 HG2 ARG 23 64.762 10.630 1.547 150 2HG ARG 23 HG1 ARG 23 66.479 10.407 1.214 151 1HD ARG 23 HD2 ARG 23 66.046 8.222 0.241 152 2HD ARG 23 HD1 ARG 23 64.343 8.346 0.666 153 HE ARG 23 HE ARG 23 65.590 9.434 -1.625 154 1HH1 ARG 23 1HH1 ARG 23 63.094 10.068 0.727 155 2HH1 ARG 23 2HH1 ARG 23 62.183 11.093 -0.329 156 1HH2 ARG 23 1HH2 ARG 23 64.390 10.775 -3.021 157 2HH2 ARG 23 2HH2 ARG 23 62.917 11.493 -2.458 158 H CYS 24 HN CYS 24 64.591 6.902 3.407 159 HA CYS 24 HA CYS 24 63.244 5.243 2.625 160 1HB CYS 24 HB2 CYS 24 61.304 7.145 3.757 161 2HB CYS 24 HB1 CYS 24 60.654 5.986 2.606 162 H ARG 25 HN ARG 25 64.309 5.715 0.615 163 HA ARG 25 HA ARG 25 63.563 7.497 -1.307 164 1HB ARG 25 HB2 ARG 25 65.579 6.163 -1.460 165 2HB ARG 25 HB1 ARG 25 64.631 4.712 -1.687 166 1HG ARG 25 HG2 ARG 25 65.204 5.133 -3.848 167 2HG ARG 25 HG1 ARG 25 63.697 6.056 -3.765 168 1HD ARG 25 HD2 ARG 25 65.613 7.833 -2.857 169 2HD ARG 25 HD1 ARG 25 66.432 6.968 -4.156 170 HE ARG 25 HE ARG 25 63.981 7.648 -5.176 171 1HH1 ARG 25 1HH1 ARG 25 66.700 9.373 -3.831 172 2HH1 ARG 25 2HH1 ARG 25 66.397 10.812 -4.745 173 1HH2 ARG 25 1HH2 ARG 25 63.584 9.542 -6.377 174 2HH2 ARG 25 2HH2 ARG 25 64.629 10.909 -6.188 175 H TYR 26 HN TYR 26 61.838 4.728 -0.355 176 HA TYR 26 HA TYR 26 59.742 5.305 -2.315 177 1HB TYR 26 HB2 TYR 26 60.801 2.553 -1.618 178 2HB TYR 26 HB1 TYR 26 59.304 2.839 -2.490 179 HD1 TYR 26 HD1 TYR 26 60.200 5.021 -4.347 180 HD2 TYR 26 HD2 TYR 26 62.091 1.406 -3.156 181 HE1 TYR 26 HE1 TYR 26 61.424 4.957 -6.486 182 HE2 TYR 26 HE2 TYR 26 63.322 1.336 -5.274 183 HH TYR 26 HH TYR 26 63.950 3.606 -7.116 184 H GLY 27 HN GLY 27 59.757 6.300 0.190 185 1HA GLY 27 HA2 GLY 27 58.931 5.036 2.398 186 2HA GLY 27 HA1 GLY 27 58.202 6.547 1.888 187 H ALA 28 HN ALA 28 57.487 3.676 3.020 188 HA ALA 28 HA ALA 28 55.539 2.572 3.309 189 1HB ALA 28 HB1 ALA 28 53.893 4.069 3.211 190 2HB ALA 28 HB2 ALA 28 53.633 3.488 1.568 191 3HB ALA 28 HB3 ALA 28 54.624 4.917 1.851 192 H LYS 29 HN LYS 29 56.896 3.005 0.199 193 HA LYS 29 HA LYS 29 55.804 0.471 -0.678 194 1HB LYS 29 HB2 LYS 29 55.356 2.695 -1.961 195 2HB LYS 29 HB1 LYS 29 57.000 2.464 -2.540 196 1HG LYS 29 HG2 LYS 29 56.468 0.559 -3.709 197 2HG LYS 29 HG1 LYS 29 55.036 0.250 -2.723 198 1HD LYS 29 HD2 LYS 29 54.534 1.038 -5.038 199 2HD LYS 29 HD1 LYS 29 53.850 2.045 -3.760 200 1HE LYS 29 HE2 LYS 29 55.077 3.826 -4.347 201 2HE LYS 29 HE1 LYS 29 56.533 2.860 -4.580 202 1HZ LYS 29 HZ1 LYS 29 56.134 3.507 -6.712 203 2HZ LYS 29 HZ2 LYS 29 54.457 3.594 -6.511 204 3HZ LYS 29 HZ3 LYS 29 55.207 2.091 -6.702 205 H CYS 30 HN CYS 30 58.461 1.664 0.703 206 HA CYS 30 HA CYS 30 60.485 0.846 -1.089 207 1HB CYS 30 HB2 CYS 30 62.018 1.042 0.857 208 2HB CYS 30 HB1 CYS 30 61.050 2.484 0.519 209 H GLN 31 HN GLN 31 61.258 -1.023 -1.526 210 HA GLN 31 HA GLN 31 60.816 -3.266 0.276 211 1HB GLN 31 HB2 GLN 31 61.198 -4.414 -2.138 212 2HB GLN 31 HB1 GLN 31 59.621 -4.028 -1.473 213 1HG GLN 31 HG2 GLN 31 60.047 -1.737 -2.699 214 2HG GLN 31 HG1 GLN 31 61.129 -2.726 -3.674 215 1HE2 GLN 31 1HE2 GLN 31 59.494 -5.124 -3.384 216 2HE2 GLN 31 2HE2 GLN 31 58.102 -4.882 -4.393 217 H PHE 32 HN PHE 32 63.009 -1.319 -1.433 218 HA PHE 32 HA PHE 32 65.246 -2.763 -0.356 219 1HB PHE 32 HB2 PHE 32 64.863 -2.594 -3.337 220 2HB PHE 32 HB1 PHE 32 66.372 -3.045 -2.555 221 HD1 PHE 32 HD1 PHE 32 62.952 -4.074 -3.320 222 HD2 PHE 32 HD2 PHE 32 66.654 -5.179 -1.546 223 HE1 PHE 32 HE1 PHE 32 62.248 -6.437 -3.329 224 HE2 PHE 32 HE2 PHE 32 65.960 -7.542 -1.542 225 HZ PHE 32 HZ PHE 32 63.756 -8.176 -2.443 226 H ALA 33 HN ALA 33 65.144 -0.750 -3.243 227 HA ALA 33 HA ALA 33 67.297 0.769 -2.939 228 1HB ALA 33 HB1 ALA 33 65.515 0.832 -4.768 229 2HB ALA 33 HB2 ALA 33 66.405 2.317 -4.431 230 3HB ALA 33 HB3 ALA 33 64.766 2.113 -3.812 231 H HIS 34 HN HIS 34 68.099 1.793 -1.237 232 HA HIS 34 HA HIS 34 66.787 4.077 -0.123 233 1HB HIS 34 HB2 HIS 34 66.749 1.498 1.356 234 2HB HIS 34 HB1 HIS 34 67.135 2.950 2.281 235 HD1 HIS 34 HD1 HIS 34 64.474 3.475 -0.294 236 HD2 HIS 34 HD2 HIS 34 64.945 2.521 3.682 237 HE1 HIS 34 HE1 HIS 34 62.240 3.931 0.857 238 H GLY 35 HN GLY 35 68.667 2.913 2.414 239 1HA GLY 35 HA2 GLY 35 70.701 4.746 2.168 240 2HA GLY 35 HA1 GLY 35 70.740 3.298 3.197 241 H LEU 36 HN LEU 36 72.042 1.669 2.666 242 HA LEU 36 HA LEU 36 73.794 2.011 0.355 243 1HB LEU 36 HB2 LEU 36 74.655 -0.215 1.766 244 2HB LEU 36 HB1 LEU 36 75.362 1.381 1.786 245 HG LEU 36 HG LEU 36 73.488 1.735 3.670 246 1HD1 LEU 36 1HD1 LEU 36 73.742 -0.479 5.050 247 2HD1 LEU 36 2HD1 LEU 36 73.951 -1.201 3.455 248 3HD1 LEU 36 3HD1 LEU 36 72.473 -0.319 3.838 249 1HD2 LEU 36 1HD2 LEU 36 75.532 2.288 4.433 250 2HD2 LEU 36 2HD2 LEU 36 76.306 0.886 3.694 251 3HD2 LEU 36 3HD2 LEU 36 75.432 0.711 5.215 252 H GLY 37 HN GLY 37 71.972 -0.603 1.937 253 1HA GLY 37 HA2 GLY 37 71.016 -2.504 1.091 254 2HA GLY 37 HA1 GLY 37 70.699 -1.518 -0.311 255 H GLU 38 HN GLU 38 73.929 -2.057 0.644 256 HA GLU 38 HA GLU 38 74.453 -3.458 -1.829 257 1HB GLU 38 HB2 GLU 38 76.426 -2.817 0.358 258 2HB GLU 38 HB1 GLU 38 76.768 -3.142 -1.337 259 1HG GLU 38 HG2 GLU 38 75.304 -1.051 -1.776 260 2HG GLU 38 HG1 GLU 38 75.615 -0.692 -0.079 261 H LEU 39 HN LEU 39 72.831 -4.957 0.004 262 HA LEU 39 HA LEU 39 74.000 -6.801 1.636 263 1HB LEU 39 HB2 LEU 39 71.793 -7.106 -0.357 264 2HB LEU 39 HB1 LEU 39 72.341 -8.486 0.573 265 HG LEU 39 HG LEU 39 71.416 -5.946 1.865 266 1HD1 LEU 39 1HD1 LEU 39 69.457 -7.928 2.174 267 2HD1 LEU 39 2HD1 LEU 39 69.859 -7.913 0.458 268 3HD1 LEU 39 3HD1 LEU 39 69.328 -6.433 1.250 269 1HD2 LEU 39 1HD2 LEU 39 72.150 -6.964 3.697 270 2HD2 LEU 39 2HD2 LEU 39 72.541 -8.422 2.785 271 3HD2 LEU 39 3HD2 LEU 39 70.921 -8.204 3.446 272 H ARG 40 HN ARG 40 73.358 -7.428 -1.708 273 HA ARG 40 HA ARG 40 75.310 -9.545 -1.865 274 1HB ARG 40 HB2 ARG 40 74.297 -10.115 -3.905 275 2HB ARG 40 HB1 ARG 40 72.972 -9.531 -2.902 276 1HG ARG 40 HG2 ARG 40 72.439 -8.197 -4.576 277 2HG ARG 40 HG1 ARG 40 73.878 -7.258 -4.177 278 1HD ARG 40 HD2 ARG 40 74.370 -7.665 -6.351 279 2HD ARG 40 HD1 ARG 40 75.002 -9.167 -5.684 280 HE ARG 40 HE ARG 40 72.484 -8.834 -7.146 281 1HH1 ARG 40 1HH1 ARG 40 74.836 -10.937 -5.648 282 2HH1 ARG 40 2HH1 ARG 40 74.166 -12.376 -6.336 283 1HH2 ARG 40 1HH2 ARG 40 71.618 -10.732 -8.056 284 2HH2 ARG 40 2HH2 ARG 40 72.344 -12.263 -7.694 285 H GLN 41 HN GLN 41 76.438 -6.946 -1.428 286 HA GLN 41 HA GLN 41 78.333 -6.906 -3.544 287 1HB GLN 41 HB2 GLN 41 76.472 -4.578 -3.113 288 2HB GLN 41 HB1 GLN 41 78.043 -4.385 -3.871 289 1HG GLN 41 HG2 GLN 41 76.127 -6.391 -4.956 290 2HG GLN 41 HG1 GLN 41 75.908 -4.683 -5.316 291 1HE2 GLN 41 1HE2 GLN 41 78.071 -3.597 -5.952 292 2HE2 GLN 41 2HE2 GLN 41 78.990 -4.441 -7.147 293 H ALA 42 HN ALA 42 79.364 -7.604 -1.442 294 HA ALA 42 HA ALA 42 79.731 -5.799 0.660 295 1HB ALA 42 HB1 ALA 42 80.541 -8.433 0.034 296 2HB ALA 42 HB2 ALA 42 80.595 -7.610 1.592 297 3HB ALA 42 HB3 ALA 42 81.980 -7.525 0.501 298 H ASN 43 HN ASN 43 80.903 -5.610 -2.475 299 HA ASN 43 HA ASN 43 82.515 -4.384 -3.506 300 1HB ASN 43 HB2 ASN 43 81.448 -2.803 -1.367 301 2HB ASN 43 HB1 ASN 43 83.162 -2.438 -1.542 302 1HD2 ASN 43 1HD2 ASN 43 81.045 -0.654 -2.075 303 2HD2 ASN 43 2HD2 ASN 43 81.089 -0.263 -3.756 Start of MODEL 15 1 H MET 4 HT1 MET 4 60.272 -16.131 -15.199 2 HA MET 4 HA MET 4 59.828 -18.752 -15.376 3 1HB MET 4 HB2 MET 4 61.877 -16.826 -16.005 4 2HB MET 4 HB1 MET 4 62.623 -18.360 -15.581 5 1HG MET 4 HG2 MET 4 60.700 -19.240 -17.224 6 2HG MET 4 HG1 MET 4 60.957 -17.633 -17.901 7 1HE MET 4 HE1 MET 4 62.901 -20.157 -20.270 8 2HE MET 4 HE2 MET 4 61.753 -18.817 -20.269 9 3HE MET 4 HE3 MET 4 61.345 -20.328 -19.456 10 H THR 5 HN THR 5 62.016 -17.252 -13.010 11 HA THR 5 HA THR 5 62.043 -19.815 -11.563 12 HB THR 5 HB THR 5 64.351 -19.287 -10.830 13 HG1 THR 5 HG1 THR 5 65.007 -17.335 -11.148 14 1HG2 THR 5 1HG2 THR 5 63.593 -20.019 -13.504 15 2HG2 THR 5 2HG2 THR 5 64.907 -20.624 -12.496 16 3HG2 THR 5 3HG2 THR 5 65.147 -19.183 -13.483 17 H THR 6 HN THR 6 63.193 -16.497 -10.959 18 HA THR 6 HA THR 6 61.455 -16.421 -8.583 19 HB THR 6 HB THR 6 63.401 -14.938 -7.637 20 HG1 THR 6 HG1 THR 6 65.019 -14.893 -8.965 21 1HG2 THR 6 1HG2 THR 6 62.641 -17.227 -6.817 22 2HG2 THR 6 2HG2 THR 6 64.290 -16.731 -6.442 23 3HG2 THR 6 3HG2 THR 6 63.991 -17.870 -7.750 24 H SER 7 HN SER 7 61.001 -15.380 -11.240 25 HA SER 7 HA SER 7 60.293 -13.499 -12.304 26 1HB SER 7 HB2 SER 7 59.968 -12.345 -9.534 27 2HB SER 7 HB1 SER 7 59.045 -11.944 -10.982 28 HG SER 7 HG SER 7 58.486 -14.326 -10.884 29 H SER 8 HN SER 8 63.209 -13.652 -11.445 30 HA SER 8 HA SER 8 65.041 -12.372 -11.912 31 1HB SER 8 HB2 SER 8 63.532 -11.142 -13.540 32 2HB SER 8 HB1 SER 8 63.241 -9.970 -12.254 33 HG SER 8 HG SER 8 65.324 -9.338 -12.334 34 H ARG 9 HN ARG 9 62.745 -11.627 -9.491 35 HA ARG 9 HA ARG 9 62.957 -10.873 -7.367 36 1HB ARG 9 HB2 ARG 9 65.142 -12.227 -7.563 37 2HB ARG 9 HB1 ARG 9 65.929 -10.672 -7.757 38 1HG ARG 9 HG2 ARG 9 65.987 -11.532 -5.440 39 2HG ARG 9 HG1 ARG 9 65.213 -9.955 -5.586 40 1HD ARG 9 HD2 ARG 9 63.391 -10.765 -4.599 41 2HD ARG 9 HD1 ARG 9 63.218 -11.965 -5.880 42 HE ARG 9 HE ARG 9 64.172 -12.416 -3.231 43 1HH1 ARG 9 1HH1 ARG 9 64.427 -13.488 -6.537 44 2HH1 ARG 9 2HH1 ARG 9 64.984 -15.069 -6.118 45 1HH2 ARG 9 1HH2 ARG 9 64.884 -14.513 -2.672 46 2HH2 ARG 9 2HH2 ARG 9 65.219 -15.661 -3.924 47 H TYR 10 HN TYR 10 63.630 -9.012 -6.070 48 HA TYR 10 HA TYR 10 63.409 -6.583 -7.617 49 1HB TYR 10 HB2 TYR 10 62.987 -7.476 -4.839 50 2HB TYR 10 HB1 TYR 10 63.488 -5.804 -5.024 51 HD1 TYR 10 HD1 TYR 10 61.701 -4.322 -4.982 52 HD2 TYR 10 HD2 TYR 10 61.202 -8.119 -6.819 53 HE1 TYR 10 HE1 TYR 10 59.392 -3.720 -5.582 54 HE2 TYR 10 HE2 TYR 10 58.893 -7.533 -7.427 55 HH TYR 10 HH TYR 10 57.646 -5.152 -7.833 56 H LYS 11 HN LYS 11 64.711 -4.839 -5.859 57 HA LYS 11 HA LYS 11 67.291 -4.874 -6.926 58 1HB LYS 11 HB2 LYS 11 66.481 -3.190 -4.585 59 2HB LYS 11 HB1 LYS 11 67.587 -2.795 -5.895 60 1HG LYS 11 HG2 LYS 11 65.321 -3.188 -7.298 61 2HG LYS 11 HG1 LYS 11 64.652 -2.597 -5.767 62 1HD LYS 11 HD2 LYS 11 65.063 -0.546 -6.545 63 2HD LYS 11 HD1 LYS 11 66.766 -0.886 -6.243 64 1HE LYS 11 HE2 LYS 11 66.809 -1.899 -8.575 65 2HE LYS 11 HE1 LYS 11 65.234 -1.143 -8.817 66 1HZ LYS 11 HZ1 LYS 11 67.869 0.063 -8.687 67 2HZ LYS 11 HZ2 LYS 11 66.645 0.915 -7.889 68 3HZ LYS 11 HZ3 LYS 11 66.491 0.559 -9.534 69 H THR 12 HN THR 12 68.957 -4.015 -4.970 70 HA THR 12 HA THR 12 69.269 -6.393 -3.255 71 HB THR 12 HB THR 12 70.920 -6.391 -5.010 72 HG1 THR 12 HG1 THR 12 71.599 -6.175 -2.407 73 1HG2 THR 12 1HG2 THR 12 72.094 -3.824 -4.066 74 2HG2 THR 12 2HG2 THR 12 70.829 -3.835 -5.294 75 3HG2 THR 12 3HG2 THR 12 72.345 -4.685 -5.584 76 H GLU 13 HN GLU 13 68.651 -3.145 -3.092 77 HA GLU 13 HA GLU 13 70.358 -2.497 -0.919 78 1HB GLU 13 HB2 GLU 13 68.590 -1.096 -2.679 79 2HB GLU 13 HB1 GLU 13 68.332 -0.626 -1.012 80 1HG GLU 13 HG2 GLU 13 70.422 0.274 -0.778 81 2HG GLU 13 HG1 GLU 13 71.112 -0.755 -2.032 82 H LEU 14 HN LEU 14 68.833 -1.059 0.830 83 HA LEU 14 HA LEU 14 66.640 -2.573 1.854 84 1HB LEU 14 HB2 LEU 14 67.969 -2.965 4.069 85 2HB LEU 14 HB1 LEU 14 68.040 -4.126 2.759 86 HG LEU 14 HG LEU 14 70.221 -3.459 3.993 87 1HD1 LEU 14 1HD1 LEU 14 71.447 -4.149 2.193 88 2HD1 LEU 14 2HD1 LEU 14 70.488 -3.235 1.040 89 3HD1 LEU 14 3HD1 LEU 14 69.842 -4.714 1.745 90 1HD2 LEU 14 1HD2 LEU 14 71.313 -1.523 3.411 91 2HD2 LEU 14 2HD2 LEU 14 69.653 -0.972 3.581 92 3HD2 LEU 14 3HD2 LEU 14 70.325 -1.259 1.977 93 H CYS 15 HN CYS 15 65.637 -1.628 3.658 94 HA CYS 15 HA CYS 15 65.893 1.170 3.865 95 1HB CYS 15 HB2 CYS 15 63.777 -0.292 4.121 96 2HB CYS 15 HB1 CYS 15 64.344 -0.618 5.755 97 H ARG 16 HN ARG 16 68.147 1.410 4.589 98 HA ARG 16 HA ARG 16 68.980 0.221 7.033 99 1HB ARG 16 HB2 ARG 16 70.179 1.953 4.938 100 2HB ARG 16 HB1 ARG 16 70.865 2.084 6.549 101 1HG ARG 16 HG2 ARG 16 70.482 -0.572 5.239 102 2HG ARG 16 HG1 ARG 16 71.924 0.410 4.969 103 1HD ARG 16 HD2 ARG 16 71.137 0.086 7.777 104 2HD ARG 16 HD1 ARG 16 71.639 -1.399 6.972 105 HE ARG 16 HE ARG 16 73.288 0.948 7.514 106 1HH1 ARG 16 1HH1 ARG 16 73.015 -2.223 6.069 107 2HH1 ARG 16 2HH1 ARG 16 74.725 -2.449 5.954 108 1HH2 ARG 16 1HH2 ARG 16 75.535 0.647 7.353 109 2HH2 ARG 16 2HH2 ARG 16 76.156 -0.821 6.679 110 H THR 17 HN THR 17 69.845 3.541 6.688 111 HA THR 17 HA THR 17 68.984 4.181 9.306 112 HB THR 17 HB THR 17 70.960 5.245 8.375 113 HG1 THR 17 HG1 THR 17 70.544 7.107 9.292 114 1HG2 THR 17 1HG2 THR 17 69.361 6.961 6.558 115 2HG2 THR 17 2HG2 THR 17 69.847 5.361 6.002 116 3HG2 THR 17 3HG2 THR 17 71.070 6.529 6.499 117 H TYR 18 HN TYR 18 67.614 4.357 6.214 118 HA TYR 18 HA TYR 18 65.786 6.403 6.298 119 1HB TYR 18 HB2 TYR 18 65.879 3.685 5.049 120 2HB TYR 18 HB1 TYR 18 64.557 4.787 4.728 121 HD1 TYR 18 HD1 TYR 18 64.897 5.242 2.459 122 HD2 TYR 18 HD2 TYR 18 68.129 5.661 5.138 123 HE1 TYR 18 HE1 TYR 18 66.193 6.366 0.705 124 HE2 TYR 18 HE2 TYR 18 69.467 6.737 3.396 125 HH TYR 18 HH TYR 18 69.488 6.756 0.845 126 H SER 19 HN SER 19 65.471 3.040 7.383 127 HA SER 19 HA SER 19 62.843 2.833 8.006 128 1HB SER 19 HB2 SER 19 64.778 1.127 8.259 129 2HB SER 19 HB1 SER 19 64.884 1.737 9.910 130 HG SER 19 HG SER 19 63.409 0.235 10.188 131 H GLU 20 HN GLU 20 64.968 5.013 9.465 132 HA GLU 20 HA GLU 20 63.395 5.236 11.897 133 1HB GLU 20 HB2 GLU 20 66.109 5.799 11.190 134 2HB GLU 20 HB1 GLU 20 65.352 7.279 11.779 135 1HG GLU 20 HG2 GLU 20 65.147 6.504 13.867 136 2HG GLU 20 HG1 GLU 20 64.777 4.862 13.325 137 H SER 21 HN SER 21 62.291 5.840 9.344 138 HA SER 21 HA SER 21 60.796 7.318 8.453 139 1HB SER 21 HB2 SER 21 60.627 7.840 11.099 140 2HB SER 21 HB1 SER 21 61.190 9.406 10.516 141 HG SER 21 HG SER 21 58.829 8.013 9.863 142 H GLY 22 HN GLY 22 63.853 7.571 8.198 143 1HA GLY 22 HA2 GLY 22 64.515 10.254 7.844 144 2HA GLY 22 HA1 GLY 22 65.352 8.905 7.104 145 H ARG 23 HN ARG 23 64.779 8.253 5.075 146 HA ARG 23 HA ARG 23 63.279 10.220 3.499 147 1HB ARG 23 HB2 ARG 23 65.703 10.019 3.017 148 2HB ARG 23 HB1 ARG 23 65.427 8.352 2.581 149 1HG ARG 23 HG2 ARG 23 63.699 10.203 1.151 150 2HG ARG 23 HG1 ARG 23 65.417 10.460 0.850 151 1HD ARG 23 HD2 ARG 23 64.792 7.644 0.799 152 2HD ARG 23 HD1 ARG 23 63.750 8.531 -0.312 153 HE ARG 23 HE ARG 23 66.504 7.973 -0.651 154 1HH1 ARG 23 1HH1 ARG 23 64.130 10.469 -1.201 155 2HH1 ARG 23 2HH1 ARG 23 64.938 11.105 -2.596 156 1HH2 ARG 23 1HH2 ARG 23 67.567 8.804 -2.479 157 2HH2 ARG 23 2HH2 ARG 23 66.891 10.158 -3.322 158 H CYS 24 HN CYS 24 64.282 6.914 3.292 159 HA CYS 24 HA CYS 24 63.264 5.001 2.586 160 1HB CYS 24 HB2 CYS 24 60.945 6.596 3.465 161 2HB CYS 24 HB1 CYS 24 60.600 5.248 2.399 162 H ARG 25 HN ARG 25 64.269 5.339 0.597 163 HA ARG 25 HA ARG 25 63.500 6.941 -1.472 164 1HB ARG 25 HB2 ARG 25 65.589 5.874 -1.567 165 2HB ARG 25 HB1 ARG 25 64.890 4.282 -1.417 166 1HG ARG 25 HG2 ARG 25 65.359 4.233 -3.623 167 2HG ARG 25 HG1 ARG 25 63.779 5.016 -3.743 168 1HD ARG 25 HD2 ARG 25 65.553 7.104 -3.265 169 2HD ARG 25 HD1 ARG 25 66.419 6.042 -4.373 170 HE ARG 25 HE ARG 25 63.687 6.922 -4.998 171 1HH1 ARG 25 1HH1 ARG 25 67.094 6.839 -5.809 172 2HH1 ARG 25 2HH1 ARG 25 66.850 7.476 -7.398 173 1HH2 ARG 25 1HH2 ARG 25 63.385 7.766 -7.083 174 2HH2 ARG 25 2HH2 ARG 25 64.753 8.006 -8.118 175 H TYR 26 HN TYR 26 61.797 4.258 -0.320 176 HA TYR 26 HA TYR 26 59.833 4.491 -2.485 177 1HB TYR 26 HB2 TYR 26 60.879 1.906 -1.311 178 2HB TYR 26 HB1 TYR 26 59.439 2.009 -2.316 179 HD1 TYR 26 HD1 TYR 26 60.580 4.018 -4.318 180 HD2 TYR 26 HD2 TYR 26 62.145 0.432 -2.638 181 HE1 TYR 26 HE1 TYR 26 61.971 3.697 -6.317 182 HE2 TYR 26 HE2 TYR 26 63.550 0.116 -4.632 183 HH TYR 26 HH TYR 26 63.144 1.174 -7.352 184 H GLY 27 HN GLY 27 59.609 5.877 -0.232 185 1HA GLY 27 HA2 GLY 27 58.697 4.990 2.122 186 2HA GLY 27 HA1 GLY 27 57.935 6.341 1.307 187 H ALA 28 HN ALA 28 57.352 3.548 2.820 188 HA ALA 28 HA ALA 28 55.454 2.358 3.175 189 1HB ALA 28 HB1 ALA 28 53.724 3.254 1.077 190 2HB ALA 28 HB2 ALA 28 54.495 4.635 1.857 191 3HB ALA 28 HB3 ALA 28 53.578 3.478 2.820 192 H LYS 29 HN LYS 29 56.971 2.528 0.155 193 HA LYS 29 HA LYS 29 55.972 -0.086 -0.580 194 1HB LYS 29 HB2 LYS 29 55.421 2.078 -1.977 195 2HB LYS 29 HB1 LYS 29 57.024 1.773 -2.628 196 1HG LYS 29 HG2 LYS 29 56.237 0.207 -3.938 197 2HG LYS 29 HG1 LYS 29 55.584 -0.660 -2.553 198 1HD LYS 29 HD2 LYS 29 54.155 1.683 -3.769 199 2HD LYS 29 HD1 LYS 29 53.926 0.041 -4.373 200 1HE LYS 29 HE2 LYS 29 52.904 -0.673 -2.428 201 2HE LYS 29 HE1 LYS 29 53.658 0.584 -1.450 202 1HZ LYS 29 HZ1 LYS 29 52.215 2.162 -2.856 203 2HZ LYS 29 HZ2 LYS 29 51.480 1.281 -1.612 204 3HZ LYS 29 HZ3 LYS 29 51.309 0.779 -3.219 205 H CYS 30 HN CYS 30 58.457 0.962 0.926 206 HA CYS 30 HA CYS 30 60.562 0.345 -0.926 207 1HB CYS 30 HB2 CYS 30 62.111 0.730 0.913 208 2HB CYS 30 HB1 CYS 30 60.961 2.054 0.705 209 H GLN 31 HN GLN 31 61.377 -1.444 -1.399 210 HA GLN 31 HA GLN 31 61.138 -3.738 0.409 211 1HB GLN 31 HB2 GLN 31 60.223 -3.491 -2.195 212 2HB GLN 31 HB1 GLN 31 61.719 -4.405 -2.355 213 1HG GLN 31 HG2 GLN 31 60.933 -6.146 -1.044 214 2HG GLN 31 HG1 GLN 31 59.653 -5.148 -0.353 215 1HE2 GLN 31 1HE2 GLN 31 60.344 -7.520 -2.547 216 2HE2 GLN 31 2HE2 GLN 31 58.927 -7.398 -3.542 217 H PHE 32 HN PHE 32 63.134 -1.622 -1.305 218 HA PHE 32 HA PHE 32 65.531 -2.741 -0.200 219 1HB PHE 32 HB2 PHE 32 65.113 -2.621 -3.190 220 2HB PHE 32 HB1 PHE 32 66.683 -2.821 -2.425 221 HD1 PHE 32 HD1 PHE 32 63.425 -4.413 -3.032 222 HD2 PHE 32 HD2 PHE 32 67.392 -4.889 -1.584 223 HE1 PHE 32 HE1 PHE 32 63.129 -6.856 -3.039 224 HE2 PHE 32 HE2 PHE 32 67.112 -7.336 -1.601 225 HZ PHE 32 HZ PHE 32 64.976 -8.322 -2.330 226 H ALA 33 HN ALA 33 66.659 -1.070 -2.742 227 HA ALA 33 HA ALA 33 67.628 0.996 -2.881 228 1HB ALA 33 HB1 ALA 33 66.098 2.413 -3.645 229 2HB ALA 33 HB2 ALA 33 65.219 2.431 -2.118 230 3HB ALA 33 HB3 ALA 33 64.931 1.142 -3.284 231 H HIS 34 HN HIS 34 66.871 3.379 -1.594 232 HA HIS 34 HA HIS 34 67.111 4.614 0.278 233 1HB HIS 34 HB2 HIS 34 67.304 1.986 1.773 234 2HB HIS 34 HB1 HIS 34 67.286 3.585 2.515 235 HD1 HIS 34 HD1 HIS 34 64.723 3.210 -0.176 236 HD2 HIS 34 HD2 HIS 34 65.136 2.666 3.891 237 HE1 HIS 34 HE1 HIS 34 62.370 3.252 0.831 238 H GLY 35 HN GLY 35 68.941 3.716 2.557 239 1HA GLY 35 HA2 GLY 35 71.346 4.780 1.608 240 2HA GLY 35 HA1 GLY 35 71.091 3.960 3.157 241 H LEU 36 HN LEU 36 73.255 3.223 2.817 242 HA LEU 36 HA LEU 36 74.175 1.617 0.772 243 1HB LEU 36 HB2 LEU 36 75.451 2.594 2.738 244 2HB LEU 36 HB1 LEU 36 74.902 1.210 3.661 245 HG LEU 36 HG LEU 36 76.497 0.970 1.112 246 1HD1 LEU 36 1HD1 LEU 36 77.524 2.172 3.231 247 2HD1 LEU 36 2HD1 LEU 36 78.460 1.038 2.257 248 3HD1 LEU 36 3HD1 LEU 36 77.727 0.506 3.770 249 1HD2 LEU 36 1HD2 LEU 36 75.149 -0.920 2.804 250 2HD2 LEU 36 2HD2 LEU 36 76.885 -1.207 2.856 251 3HD2 LEU 36 3HD2 LEU 36 76.041 -1.203 1.308 252 H GLY 37 HN GLY 37 73.434 -0.196 0.049 253 1HA GLY 37 HA2 GLY 37 72.431 -2.202 1.906 254 2HA GLY 37 HA1 GLY 37 71.620 -1.894 0.382 255 H GLU 38 HN GLU 38 72.297 -2.990 -1.388 256 HA GLU 38 HA GLU 38 73.444 -4.420 -2.698 257 1HB GLU 38 HB2 GLU 38 75.660 -3.160 -1.156 258 2HB GLU 38 HB1 GLU 38 75.987 -4.384 -2.373 259 1HG GLU 38 HG2 GLU 38 74.418 -2.776 -3.805 260 2HG GLU 38 HG1 GLU 38 75.066 -1.594 -2.670 261 H LEU 39 HN LEU 39 72.786 -5.130 0.333 262 HA LEU 39 HA LEU 39 74.388 -6.987 1.424 263 1HB LEU 39 HB2 LEU 39 71.427 -6.999 1.082 264 2HB LEU 39 HB1 LEU 39 72.226 -8.321 1.912 265 HG LEU 39 HG LEU 39 72.578 -5.462 2.731 266 1HD1 LEU 39 1HD1 LEU 39 70.829 -7.118 4.385 267 2HD1 LEU 39 2HD1 LEU 39 70.164 -6.731 2.799 268 3HD1 LEU 39 3HD1 LEU 39 70.659 -5.435 3.888 269 1HD2 LEU 39 1HD2 LEU 39 72.825 -7.887 4.463 270 2HD2 LEU 39 2HD2 LEU 39 73.531 -6.286 4.682 271 3HD2 LEU 39 3HD2 LEU 39 74.165 -7.367 3.441 272 H ARG 40 HN ARG 40 71.927 -7.935 -0.857 273 HA ARG 40 HA ARG 40 73.172 -10.484 -1.312 274 1HB ARG 40 HB2 ARG 40 71.326 -10.891 -2.887 275 2HB ARG 40 HB1 ARG 40 70.766 -10.373 -1.303 276 1HG ARG 40 HG2 ARG 40 69.466 -9.015 -2.529 277 2HG ARG 40 HG1 ARG 40 70.909 -8.001 -2.522 278 1HD ARG 40 HD2 ARG 40 70.577 -8.018 -4.752 279 2HD ARG 40 HD1 ARG 40 71.467 -9.525 -4.640 280 HE ARG 40 HE ARG 40 68.555 -9.269 -4.930 281 1HH1 ARG 40 1HH1 ARG 40 71.456 -11.220 -5.078 282 2HH1 ARG 40 2HH1 ARG 40 70.694 -12.498 -5.958 283 1HH2 ARG 40 1HH2 ARG 40 67.575 -10.944 -6.108 284 2HH2 ARG 40 2HH2 ARG 40 68.494 -12.346 -6.539 285 H GLN 41 HN GLN 41 74.633 -8.003 -2.151 286 HA GLN 41 HA GLN 41 75.523 -9.004 -4.658 287 1HB GLN 41 HB2 GLN 41 74.259 -6.276 -4.443 288 2HB GLN 41 HB1 GLN 41 75.325 -6.738 -5.762 289 1HG GLN 41 HG2 GLN 41 73.464 -8.776 -5.667 290 2HG GLN 41 HG1 GLN 41 72.523 -7.323 -5.351 291 1HE2 GLN 41 1HE2 GLN 41 73.313 -9.310 -7.706 292 2HE2 GLN 41 2HE2 GLN 41 73.392 -8.232 -9.054 293 H ALA 42 HN ALA 42 77.210 -9.315 -2.964 294 HA ALA 42 HA ALA 42 78.623 -7.494 -1.573 295 1HB ALA 42 HB1 ALA 42 80.667 -8.868 -2.068 296 2HB ALA 42 HB2 ALA 42 79.684 -9.786 -3.207 297 3HB ALA 42 HB3 ALA 42 79.268 -9.775 -1.493 298 H ASN 43 HN ASN 43 80.214 -5.985 -1.886 299 HA ASN 43 HA ASN 43 80.246 -4.695 -4.451 300 1HB ASN 43 HB2 ASN 43 80.918 -4.003 -1.733 301 2HB ASN 43 HB1 ASN 43 82.231 -3.542 -2.811 302 1HD2 ASN 43 1HD2 ASN 43 79.110 -2.807 -1.689 303 2HD2 ASN 43 2HD2 ASN 43 78.806 -1.449 -2.713 Start of MODEL 16 1 H MET 4 HT1 MET 4 57.596 -21.740 -6.320 2 HA MET 4 HA MET 4 56.687 -21.128 -8.551 3 1HB MET 4 HB2 MET 4 55.772 -18.963 -7.093 4 2HB MET 4 HB1 MET 4 57.160 -18.302 -7.945 5 1HG MET 4 HG2 MET 4 55.232 -17.914 -9.273 6 2HG MET 4 HG1 MET 4 56.188 -19.163 -10.065 7 1HE MET 4 HE1 MET 4 52.271 -19.838 -10.688 8 2HE MET 4 HE2 MET 4 53.801 -19.746 -11.560 9 3HE MET 4 HE3 MET 4 53.222 -18.354 -10.647 10 H THR 5 HN THR 5 58.279 -20.647 -10.090 11 HA THR 5 HA THR 5 60.981 -20.702 -9.056 12 HB THR 5 HB THR 5 60.427 -22.167 -10.919 13 HG1 THR 5 HG1 THR 5 62.542 -21.053 -10.789 14 1HG2 THR 5 1HG2 THR 5 58.705 -20.625 -11.943 15 2HG2 THR 5 2HG2 THR 5 59.783 -21.459 -13.060 16 3HG2 THR 5 3HG2 THR 5 60.058 -19.761 -12.670 17 H THR 6 HN THR 6 62.354 -19.039 -8.935 18 HA THR 6 HA THR 6 61.417 -16.405 -9.692 19 HB THR 6 HB THR 6 63.322 -15.561 -8.474 20 HG1 THR 6 HG1 THR 6 64.192 -18.241 -8.169 21 1HG2 THR 6 1HG2 THR 6 61.835 -17.789 -7.164 22 2HG2 THR 6 2HG2 THR 6 61.732 -16.051 -6.889 23 3HG2 THR 6 3HG2 THR 6 63.128 -16.954 -6.302 24 H SER 7 HN SER 7 62.448 -14.987 -11.095 25 HA SER 7 HA SER 7 64.775 -15.767 -12.580 26 1HB SER 7 HB2 SER 7 63.218 -15.344 -14.764 27 2HB SER 7 HB1 SER 7 63.596 -16.944 -14.129 28 HG SER 7 HG SER 7 61.361 -15.479 -13.221 29 H SER 8 HN SER 8 64.337 -13.618 -10.945 30 HA SER 8 HA SER 8 65.070 -11.448 -12.569 31 1HB SER 8 HB2 SER 8 63.009 -10.003 -11.948 32 2HB SER 8 HB1 SER 8 62.858 -11.134 -13.293 33 HG SER 8 HG SER 8 61.124 -11.615 -12.126 34 H ARG 9 HN ARG 9 63.086 -11.814 -9.626 35 HA ARG 9 HA ARG 9 63.466 -11.250 -7.456 36 1HB ARG 9 HB2 ARG 9 65.550 -12.557 -7.753 37 2HB ARG 9 HB1 ARG 9 66.375 -11.101 -8.290 38 1HG ARG 9 HG2 ARG 9 66.978 -11.432 -6.037 39 2HG ARG 9 HG1 ARG 9 65.830 -10.094 -6.049 40 1HD ARG 9 HD2 ARG 9 64.918 -11.301 -4.356 41 2HD ARG 9 HD1 ARG 9 64.116 -12.106 -5.703 42 HE ARG 9 HE ARG 9 66.277 -13.170 -4.065 43 1HH1 ARG 9 1HH1 ARG 9 64.163 -13.566 -6.816 44 2HH1 ARG 9 2HH1 ARG 9 64.531 -15.244 -7.007 45 1HH2 ARG 9 1HH2 ARG 9 66.758 -15.388 -4.331 46 2HH2 ARG 9 2HH2 ARG 9 65.986 -16.279 -5.601 47 H TYR 10 HN TYR 10 63.939 -9.457 -6.079 48 HA TYR 10 HA TYR 10 63.566 -6.947 -7.432 49 1HB TYR 10 HB2 TYR 10 63.315 -8.033 -4.696 50 2HB TYR 10 HB1 TYR 10 63.719 -6.331 -4.806 51 HD1 TYR 10 HD1 TYR 10 61.888 -4.936 -4.616 52 HD2 TYR 10 HD2 TYR 10 61.462 -8.669 -6.609 53 HE1 TYR 10 HE1 TYR 10 59.528 -4.410 -5.069 54 HE2 TYR 10 HE2 TYR 10 59.096 -8.158 -7.065 55 HH TYR 10 HH TYR 10 57.675 -6.050 -7.290 56 H LYS 11 HN LYS 11 64.852 -5.253 -5.604 57 HA LYS 11 HA LYS 11 67.420 -5.187 -6.748 58 1HB LYS 11 HB2 LYS 11 66.643 -3.532 -4.386 59 2HB LYS 11 HB1 LYS 11 67.667 -3.106 -5.750 60 1HG LYS 11 HG2 LYS 11 65.235 -3.620 -6.933 61 2HG LYS 11 HG1 LYS 11 64.799 -2.819 -5.411 62 1HD LYS 11 HD2 LYS 11 65.131 -0.961 -6.669 63 2HD LYS 11 HD1 LYS 11 66.803 -1.226 -6.171 64 1HE LYS 11 HE2 LYS 11 67.056 -2.617 -8.275 65 2HE LYS 11 HE1 LYS 11 65.502 -1.955 -8.780 66 1HZ LYS 11 HZ1 LYS 11 66.874 0.252 -8.063 67 2HZ LYS 11 HZ2 LYS 11 66.734 -0.325 -9.647 68 3HZ LYS 11 HZ3 LYS 11 68.099 -0.710 -8.725 69 H THR 12 HN THR 12 69.044 -4.285 -4.764 70 HA THR 12 HA THR 12 69.292 -6.573 -2.933 71 HB THR 12 HB THR 12 70.911 -6.928 -4.655 72 HG1 THR 12 HG1 THR 12 71.985 -5.880 -2.272 73 1HG2 THR 12 1HG2 THR 12 70.960 -4.185 -4.966 74 2HG2 THR 12 2HG2 THR 12 71.963 -5.364 -5.805 75 3HG2 THR 12 3HG2 THR 12 72.558 -4.583 -4.340 76 H GLU 13 HN GLU 13 68.362 -3.650 -2.713 77 HA GLU 13 HA GLU 13 70.296 -2.734 -0.787 78 1HB GLU 13 HB2 GLU 13 68.530 -1.429 -2.649 79 2HB GLU 13 HB1 GLU 13 68.408 -0.763 -1.035 80 1HG GLU 13 HG2 GLU 13 70.597 -0.034 -1.016 81 2HG GLU 13 HG1 GLU 13 71.083 -1.179 -2.265 82 H LEU 14 HN LEU 14 68.798 -1.127 0.874 83 HA LEU 14 HA LEU 14 66.588 -2.596 1.977 84 1HB LEU 14 HB2 LEU 14 67.819 -2.881 4.206 85 2HB LEU 14 HB1 LEU 14 68.129 -4.043 2.923 86 HG LEU 14 HG LEU 14 70.156 -3.272 4.206 87 1HD1 LEU 14 1HD1 LEU 14 71.471 -3.599 2.398 88 2HD1 LEU 14 2HD1 LEU 14 70.600 -2.411 1.431 89 3HD1 LEU 14 3HD1 LEU 14 69.930 -4.018 1.653 90 1HD2 LEU 14 1HD2 LEU 14 69.856 -0.735 2.620 91 2HD2 LEU 14 2HD2 LEU 14 71.043 -1.113 3.866 92 3HD2 LEU 14 3HD2 LEU 14 69.350 -0.874 4.303 93 H CYS 15 HN CYS 15 65.635 -1.619 3.795 94 HA CYS 15 HA CYS 15 65.800 1.208 3.837 95 1HB CYS 15 HB2 CYS 15 63.674 -0.155 4.038 96 2HB CYS 15 HB1 CYS 15 64.206 -0.652 5.641 97 H ARG 16 HN ARG 16 67.985 1.637 4.707 98 HA ARG 16 HA ARG 16 68.801 0.430 7.134 99 1HB ARG 16 HB2 ARG 16 69.941 2.370 5.197 100 2HB ARG 16 HB1 ARG 16 70.500 2.528 6.849 101 1HG ARG 16 HG2 ARG 16 70.726 0.115 5.108 102 2HG ARG 16 HG1 ARG 16 72.027 1.148 5.679 103 1HD ARG 16 HD2 ARG 16 70.291 -0.114 7.717 104 2HD ARG 16 HD1 ARG 16 71.399 -1.164 6.846 105 HE ARG 16 HE ARG 16 72.141 1.082 8.584 106 1HH1 ARG 16 1HH1 ARG 16 73.054 -1.751 6.752 107 2HH1 ARG 16 2HH1 ARG 16 74.645 -1.822 7.426 108 1HH2 ARG 16 1HH2 ARG 16 74.242 0.992 9.452 109 2HH2 ARG 16 2HH2 ARG 16 75.324 -0.261 8.943 110 H THR 17 HN THR 17 69.433 3.794 7.040 111 HA THR 17 HA THR 17 68.295 4.224 9.605 112 HB THR 17 HB THR 17 70.398 5.313 8.862 113 HG1 THR 17 HG1 THR 17 68.254 6.991 9.635 114 1HG2 THR 17 1HG2 THR 17 69.682 7.587 7.579 115 2HG2 THR 17 2HG2 THR 17 68.647 6.401 6.789 116 3HG2 THR 17 3HG2 THR 17 70.395 6.174 6.801 117 H TYR 18 HN TYR 18 67.214 4.456 6.463 118 HA TYR 18 HA TYR 18 65.443 6.547 6.343 119 1HB TYR 18 HB2 TYR 18 65.626 3.803 5.179 120 2HB TYR 18 HB1 TYR 18 64.330 4.885 4.712 121 HD1 TYR 18 HD1 TYR 18 64.844 5.331 2.498 122 HD2 TYR 18 HD2 TYR 18 67.887 5.734 5.399 123 HE1 TYR 18 HE1 TYR 18 66.249 6.466 0.838 124 HE2 TYR 18 HE2 TYR 18 69.341 6.821 3.744 125 HH TYR 18 HH TYR 18 68.263 7.338 0.405 126 H SER 19 HN SER 19 64.965 3.241 7.527 127 HA SER 19 HA SER 19 62.233 3.287 7.899 128 1HB SER 19 HB2 SER 19 64.199 1.426 8.206 129 2HB SER 19 HB1 SER 19 63.719 1.710 9.879 130 HG SER 19 HG SER 19 61.513 1.356 9.108 131 H GLU 20 HN GLU 20 64.721 4.672 9.792 132 HA GLU 20 HA GLU 20 63.334 4.902 12.244 133 1HB GLU 20 HB2 GLU 20 65.861 5.728 11.166 134 2HB GLU 20 HB1 GLU 20 65.111 7.098 11.974 135 1HG GLU 20 HG2 GLU 20 65.688 6.293 13.938 136 2HG GLU 20 HG1 GLU 20 64.810 4.794 13.613 137 H SER 21 HN SER 21 63.711 7.016 9.470 138 HA SER 21 HA SER 21 61.339 8.136 9.123 139 1HB SER 21 HB2 SER 21 61.276 10.254 10.487 140 2HB SER 21 HB1 SER 21 61.028 8.788 11.428 141 HG SER 21 HG SER 21 63.656 9.413 11.281 142 H GLY 22 HN GLY 22 64.284 7.943 8.247 143 1HA GLY 22 HA2 GLY 22 65.155 10.548 7.683 144 2HA GLY 22 HA1 GLY 22 65.760 9.082 6.936 145 H ARG 23 HN ARG 23 64.990 8.458 4.999 146 HA ARG 23 HA ARG 23 63.307 10.395 3.565 147 1HB ARG 23 HB2 ARG 23 65.672 10.237 2.837 148 2HB ARG 23 HB1 ARG 23 65.395 8.563 2.434 149 1HG ARG 23 HG2 ARG 23 63.584 10.531 1.183 150 2HG ARG 23 HG1 ARG 23 65.259 10.526 0.639 151 1HD ARG 23 HD2 ARG 23 65.047 8.071 0.222 152 2HD ARG 23 HD1 ARG 23 63.334 8.217 0.616 153 HE ARG 23 HE ARG 23 62.978 9.054 -1.462 154 1HH1 ARG 23 1HH1 ARG 23 66.343 9.477 -0.669 155 2HH1 ARG 23 2HH1 ARG 23 66.771 10.061 -2.242 156 1HH2 ARG 23 1HH2 ARG 23 63.533 9.822 -3.534 157 2HH2 ARG 23 2HH2 ARG 23 65.176 10.254 -3.870 158 H CYS 24 HN CYS 24 64.330 7.110 3.330 159 HA CYS 24 HA CYS 24 63.297 5.144 2.811 160 1HB CYS 24 HB2 CYS 24 61.020 6.760 3.726 161 2HB CYS 24 HB1 CYS 24 60.616 5.448 2.641 162 H ARG 25 HN ARG 25 64.278 5.456 0.780 163 HA ARG 25 HA ARG 25 63.481 6.948 -1.330 164 1HB ARG 25 HB2 ARG 25 65.543 5.836 -1.440 165 2HB ARG 25 HB1 ARG 25 64.810 4.272 -1.195 166 1HG ARG 25 HG2 ARG 25 65.536 4.458 -3.458 167 2HG ARG 25 HG1 ARG 25 63.768 4.456 -3.430 168 1HD ARG 25 HD2 ARG 25 64.195 6.191 -4.878 169 2HD ARG 25 HD1 ARG 25 64.055 7.048 -3.338 170 HE ARG 25 HE ARG 25 66.183 7.737 -3.658 171 1HH1 ARG 25 1HH1 ARG 25 65.845 4.660 -5.291 172 2HH1 ARG 25 2HH1 ARG 25 67.480 4.651 -5.858 173 1HH2 ARG 25 1HH2 ARG 25 68.309 7.725 -4.429 174 2HH2 ARG 25 2HH2 ARG 25 68.872 6.392 -5.381 175 H TYR 26 HN TYR 26 61.820 4.276 -0.091 176 HA TYR 26 HA TYR 26 59.686 4.563 -2.060 177 1HB TYR 26 HB2 TYR 26 60.759 1.886 -1.126 178 2HB TYR 26 HB1 TYR 26 59.346 2.102 -2.139 179 HD1 TYR 26 HD1 TYR 26 60.613 4.218 -3.984 180 HD2 TYR 26 HD2 TYR 26 61.981 0.463 -2.521 181 HE1 TYR 26 HE1 TYR 26 62.044 3.969 -5.970 182 HE2 TYR 26 HE2 TYR 26 63.424 0.217 -4.492 183 HH TYR 26 HH TYR 26 63.702 1.002 -6.684 184 H GLY 27 HN GLY 27 59.622 5.835 0.223 185 1HA GLY 27 HA2 GLY 27 59.113 4.881 2.655 186 2HA GLY 27 HA1 GLY 27 58.147 6.176 1.992 187 H ALA 28 HN ALA 28 56.848 4.330 0.027 188 HA ALA 28 HA ALA 28 55.141 2.905 1.964 189 1HB ALA 28 HB1 ALA 28 53.343 3.153 0.205 190 2HB ALA 28 HB2 ALA 28 54.422 4.285 -0.608 191 3HB ALA 28 HB3 ALA 28 53.841 4.633 1.020 192 H LYS 29 HN LYS 29 57.249 2.521 -0.619 193 HA LYS 29 HA LYS 29 56.369 -0.200 -1.059 194 1HB LYS 29 HB2 LYS 29 56.068 1.697 -2.884 195 2HB LYS 29 HB1 LYS 29 57.728 1.251 -3.240 196 1HG LYS 29 HG2 LYS 29 57.074 -0.542 -4.306 197 2HG LYS 29 HG1 LYS 29 56.186 -1.094 -2.892 198 1HD LYS 29 HD2 LYS 29 55.038 0.985 -4.720 199 2HD LYS 29 HD1 LYS 29 54.881 -0.734 -5.084 200 1HE LYS 29 HE2 LYS 29 54.202 -0.246 -2.338 201 2HE LYS 29 HE1 LYS 29 53.269 0.822 -3.386 202 1HZ LYS 29 HZ1 LYS 29 53.056 -1.509 -4.678 203 2HZ LYS 29 HZ2 LYS 29 51.929 -0.953 -3.547 204 3HZ LYS 29 HZ3 LYS 29 53.127 -2.052 -3.077 205 H CYS 30 HN CYS 30 58.508 0.847 0.722 206 HA CYS 30 HA CYS 30 60.893 0.223 -0.776 207 1HB CYS 30 HB2 CYS 30 62.188 0.779 1.167 208 2HB CYS 30 HB1 CYS 30 61.030 2.047 0.748 209 H GLN 31 HN GLN 31 61.424 -1.689 -1.208 210 HA GLN 31 HA GLN 31 61.311 -3.803 0.828 211 1HB GLN 31 HB2 GLN 31 60.478 -3.768 -1.885 212 2HB GLN 31 HB1 GLN 31 61.830 -4.889 -1.743 213 1HG GLN 31 HG2 GLN 31 60.268 -5.531 0.408 214 2HG GLN 31 HG1 GLN 31 59.086 -5.106 -0.831 215 1HE2 GLN 31 1HE2 GLN 31 59.564 -6.112 -3.023 216 2HE2 GLN 31 2HE2 GLN 31 60.057 -7.778 -3.015 217 H PHE 32 HN PHE 32 63.182 -1.741 -1.030 218 HA PHE 32 HA PHE 32 65.651 -2.803 -0.044 219 1HB PHE 32 HB2 PHE 32 65.097 -2.721 -3.015 220 2HB PHE 32 HB1 PHE 32 66.693 -2.921 -2.309 221 HD1 PHE 32 HD1 PHE 32 63.438 -4.510 -2.854 222 HD2 PHE 32 HD2 PHE 32 67.401 -4.977 -1.389 223 HE1 PHE 32 HE1 PHE 32 63.146 -6.956 -2.838 224 HE2 PHE 32 HE2 PHE 32 67.120 -7.417 -1.367 225 HZ PHE 32 HZ PHE 32 64.989 -8.410 -2.095 226 H ALA 33 HN ALA 33 66.727 -1.179 -2.584 227 HA ALA 33 HA ALA 33 67.661 0.906 -2.763 228 1HB ALA 33 HB1 ALA 33 65.550 1.337 -3.790 229 2HB ALA 33 HB2 ALA 33 65.956 2.724 -2.783 230 3HB ALA 33 HB3 ALA 33 64.773 1.546 -2.221 231 H HIS 34 HN HIS 34 66.837 3.289 -1.447 232 HA HIS 34 HA HIS 34 67.034 4.491 0.466 233 1HB HIS 34 HB2 HIS 34 67.067 1.759 1.757 234 2HB HIS 34 HB1 HIS 34 67.274 3.248 2.680 235 HD1 HIS 34 HD1 HIS 34 64.621 3.213 -0.015 236 HD2 HIS 34 HD2 HIS 34 65.047 2.688 4.051 237 HE1 HIS 34 HE1 HIS 34 62.291 3.435 1.017 238 H GLY 35 HN GLY 35 68.708 4.138 2.679 239 1HA GLY 35 HA2 GLY 35 71.220 4.879 1.758 240 2HA GLY 35 HA1 GLY 35 70.818 4.381 3.406 241 H LEU 36 HN LEU 36 72.493 3.595 0.612 242 HA LEU 36 HA LEU 36 73.743 1.811 -0.038 243 1HB LEU 36 HB2 LEU 36 74.570 2.494 2.347 244 2HB LEU 36 HB1 LEU 36 73.854 0.971 2.829 245 HG LEU 36 HG LEU 36 75.810 1.007 0.569 246 1HD1 LEU 36 1HD1 LEU 36 76.766 0.663 3.374 247 2HD1 LEU 36 2HD1 LEU 36 76.636 2.283 2.686 248 3HD1 LEU 36 3HD1 LEU 36 77.673 1.080 1.920 249 1HD2 LEU 36 1HD2 LEU 36 74.490 -0.951 2.256 250 2HD2 LEU 36 2HD2 LEU 36 76.241 -1.164 2.240 251 3HD2 LEU 36 3HD2 LEU 36 75.339 -1.170 0.726 252 H GLY 37 HN GLY 37 73.902 -0.502 -0.144 253 1HA GLY 37 HA2 GLY 37 72.411 -2.411 1.037 254 2HA GLY 37 HA1 GLY 37 71.342 -1.724 -0.159 255 H GLU 38 HN GLU 38 74.017 -3.732 0.438 256 HA GLU 38 HA GLU 38 73.890 -4.660 -2.335 257 1HB GLU 38 HB2 GLU 38 76.592 -4.338 -1.044 258 2HB GLU 38 HB1 GLU 38 76.195 -4.523 -2.745 259 1HG GLU 38 HG2 GLU 38 74.971 -2.174 -2.207 260 2HG GLU 38 HG1 GLU 38 76.335 -2.100 -1.093 261 H LEU 39 HN LEU 39 72.685 -5.820 -0.154 262 HA LEU 39 HA LEU 39 74.295 -7.817 1.078 263 1HB LEU 39 HB2 LEU 39 71.312 -7.915 0.683 264 2HB LEU 39 HB1 LEU 39 72.251 -8.745 1.912 265 HG LEU 39 HG LEU 39 72.559 -5.841 1.951 266 1HD1 LEU 39 1HD1 LEU 39 70.337 -5.515 3.074 267 2HD1 LEU 39 2HD1 LEU 39 69.865 -7.096 2.449 268 3HD1 LEU 39 3HD1 LEU 39 70.259 -5.790 1.333 269 1HD2 LEU 39 1HD2 LEU 39 71.775 -7.827 4.075 270 2HD2 LEU 39 2HD2 LEU 39 72.333 -6.174 4.330 271 3HD2 LEU 39 3HD2 LEU 39 73.429 -7.381 3.660 272 H ARG 40 HN ARG 40 73.057 -7.507 -2.026 273 HA ARG 40 HA ARG 40 73.567 -10.339 -2.581 274 1HB ARG 40 HB2 ARG 40 71.624 -9.189 -4.405 275 2HB ARG 40 HB1 ARG 40 71.555 -10.691 -3.500 276 1HG ARG 40 HG2 ARG 40 71.045 -8.131 -2.059 277 2HG ARG 40 HG1 ARG 40 69.796 -8.785 -3.119 278 1HD ARG 40 HD2 ARG 40 70.418 -11.009 -1.764 279 2HD ARG 40 HD1 ARG 40 70.823 -9.806 -0.541 280 HE ARG 40 HE ARG 40 68.174 -10.040 -1.818 281 1HH1 ARG 40 1HH1 ARG 40 70.155 -9.354 0.988 282 2HH1 ARG 40 2HH1 ARG 40 68.803 -8.928 1.979 283 1HH2 ARG 40 1HH2 ARG 40 66.417 -9.473 -0.506 284 2HH2 ARG 40 2HH2 ARG 40 66.687 -9.001 1.138 285 H GLN 41 HN GLN 41 75.274 -7.977 -2.852 286 HA GLN 41 HA GLN 41 76.077 -8.407 -5.562 287 1HB GLN 41 HB2 GLN 41 75.144 -5.740 -4.538 288 2HB GLN 41 HB1 GLN 41 76.292 -5.860 -5.871 289 1HG GLN 41 HG2 GLN 41 73.807 -7.451 -6.066 290 2HG GLN 41 HG1 GLN 41 73.679 -5.705 -6.247 291 1HE2 GLN 41 1HE2 GLN 41 73.841 -8.380 -7.975 292 2HE2 GLN 41 2HE2 GLN 41 74.707 -7.829 -9.364 293 H ALA 42 HN ALA 42 76.639 -6.187 -2.868 294 HA ALA 42 HA ALA 42 78.500 -5.542 -1.746 295 1HB ALA 42 HB1 ALA 42 80.163 -7.833 -2.521 296 2HB ALA 42 HB2 ALA 42 78.614 -8.255 -1.789 297 3HB ALA 42 HB3 ALA 42 79.746 -7.214 -0.923 298 H ASN 43 HN ASN 43 79.565 -3.855 -2.543 299 HA ASN 43 HA ASN 43 80.693 -3.905 -5.199 300 1HB ASN 43 HB2 ASN 43 80.086 -1.855 -3.173 301 2HB ASN 43 HB1 ASN 43 81.537 -1.538 -4.117 302 1HD2 ASN 43 1HD2 ASN 43 80.413 0.287 -4.960 303 2HD2 ASN 43 2HD2 ASN 43 79.275 0.090 -6.246 Start of MODEL 17 1 H MET 4 HT1 MET 4 73.185 -10.922 -12.891 2 HA MET 4 HA MET 4 71.809 -9.224 -12.955 3 1HB MET 4 HB2 MET 4 72.003 -8.033 -15.054 4 2HB MET 4 HB1 MET 4 73.504 -8.890 -14.719 5 1HG MET 4 HG2 MET 4 73.309 -9.493 -16.870 6 2HG MET 4 HG1 MET 4 72.256 -10.740 -16.204 7 1HE MET 4 HE1 MET 4 70.977 -6.926 -18.395 8 2HE MET 4 HE2 MET 4 72.387 -7.869 -18.879 9 3HE MET 4 HE3 MET 4 72.346 -7.087 -17.298 10 H THR 5 HN THR 5 70.779 -11.655 -15.307 11 HA THR 5 HA THR 5 68.251 -10.530 -15.871 12 HB THR 5 HB THR 5 67.650 -12.908 -16.535 13 HG1 THR 5 HG1 THR 5 69.372 -13.714 -14.977 14 1HG2 THR 5 1HG2 THR 5 69.884 -12.965 -18.116 15 2HG2 THR 5 2HG2 THR 5 69.725 -11.255 -17.713 16 3HG2 THR 5 3HG2 THR 5 68.382 -12.112 -18.473 17 H THR 6 HN THR 6 66.459 -10.382 -14.622 18 HA THR 6 HA THR 6 66.115 -12.373 -12.501 19 HB THR 6 HB THR 6 66.952 -10.684 -11.164 20 HG1 THR 6 HG1 THR 6 65.134 -9.812 -10.077 21 1HG2 THR 6 1HG2 THR 6 67.075 -8.893 -12.838 22 2HG2 THR 6 2HG2 THR 6 66.447 -8.338 -11.287 23 3HG2 THR 6 3HG2 THR 6 65.346 -8.609 -12.634 24 H SER 7 HN SER 7 64.350 -9.449 -13.589 25 HA SER 7 HA SER 7 62.161 -9.131 -14.112 26 1HB SER 7 HB2 SER 7 62.356 -11.928 -15.250 27 2HB SER 7 HB1 SER 7 61.197 -10.681 -15.705 28 HG SER 7 HG SER 7 63.792 -11.026 -16.491 29 H SER 8 HN SER 8 62.914 -10.735 -11.553 30 HA SER 8 HA SER 8 60.170 -11.267 -10.810 31 1HB SER 8 HB2 SER 8 61.636 -13.421 -11.669 32 2HB SER 8 HB1 SER 8 61.921 -13.456 -9.930 33 HG SER 8 HG SER 8 59.706 -13.545 -9.596 34 H ARG 9 HN ARG 9 63.561 -11.521 -9.771 35 HA ARG 9 HA ARG 9 62.867 -11.008 -7.022 36 1HB ARG 9 HB2 ARG 9 64.740 -12.506 -7.575 37 2HB ARG 9 HB1 ARG 9 65.578 -11.175 -8.355 38 1HG ARG 9 HG2 ARG 9 66.486 -11.616 -6.147 39 2HG ARG 9 HG1 ARG 9 65.754 -10.014 -6.220 40 1HD ARG 9 HD2 ARG 9 64.844 -10.708 -4.260 41 2HD ARG 9 HD1 ARG 9 63.641 -11.382 -5.354 42 HE ARG 9 HE ARG 9 65.697 -12.860 -3.894 43 1HH1 ARG 9 1HH1 ARG 9 62.997 -12.916 -6.125 44 2HH1 ARG 9 2HH1 ARG 9 62.732 -14.616 -5.943 45 1HH2 ARG 9 1HH2 ARG 9 65.330 -15.099 -3.666 46 2HH2 ARG 9 2HH2 ARG 9 64.040 -15.848 -4.549 47 H TYR 10 HN TYR 10 63.527 -9.194 -5.815 48 HA TYR 10 HA TYR 10 63.351 -6.737 -7.316 49 1HB TYR 10 HB2 TYR 10 62.993 -7.633 -4.531 50 2HB TYR 10 HB1 TYR 10 63.532 -5.977 -4.741 51 HD1 TYR 10 HD1 TYR 10 61.766 -4.456 -4.594 52 HD2 TYR 10 HD2 TYR 10 61.152 -8.212 -6.490 53 HE1 TYR 10 HE1 TYR 10 59.451 -3.799 -5.125 54 HE2 TYR 10 HE2 TYR 10 58.840 -7.569 -7.030 55 HH TYR 10 HH TYR 10 57.240 -5.064 -5.611 56 H LYS 11 HN LYS 11 64.742 -5.027 -5.625 57 HA LYS 11 HA LYS 11 67.308 -5.158 -6.728 58 1HB LYS 11 HB2 LYS 11 66.620 -3.482 -4.351 59 2HB LYS 11 HB1 LYS 11 67.741 -3.121 -5.653 60 1HG LYS 11 HG2 LYS 11 65.663 -3.107 -7.161 61 2HG LYS 11 HG1 LYS 11 64.755 -2.977 -5.642 62 1HD LYS 11 HD2 LYS 11 65.553 -0.889 -5.178 63 2HD LYS 11 HD1 LYS 11 67.064 -1.148 -6.051 64 1HE LYS 11 HE2 LYS 11 65.499 -1.226 -8.138 65 2HE LYS 11 HE1 LYS 11 64.377 -0.362 -7.086 66 1HZ LYS 11 HZ1 LYS 11 66.717 0.595 -8.409 67 2HZ LYS 11 HZ2 LYS 11 66.764 0.926 -6.749 68 3HZ LYS 11 HZ3 LYS 11 65.458 1.466 -7.682 69 H THR 12 HN THR 12 68.941 -4.300 -4.679 70 HA THR 12 HA THR 12 69.144 -6.657 -2.938 71 HB THR 12 HB THR 12 70.768 -6.940 -4.651 72 HG1 THR 12 HG1 THR 12 71.452 -7.186 -2.406 73 1HG2 THR 12 1HG2 THR 12 71.541 -5.225 -5.795 74 2HG2 THR 12 2HG2 THR 12 72.573 -4.838 -4.418 75 3HG2 THR 12 3HG2 THR 12 70.985 -4.086 -4.575 76 H GLU 13 HN GLU 13 68.635 -3.424 -2.903 77 HA GLU 13 HA GLU 13 70.402 -2.741 -0.788 78 1HB GLU 13 HB2 GLU 13 68.548 -1.331 -2.538 79 2HB GLU 13 HB1 GLU 13 68.601 -0.721 -0.900 80 1HG GLU 13 HG2 GLU 13 70.649 0.154 -1.133 81 2HG GLU 13 HG1 GLU 13 71.226 -1.212 -2.081 82 H LEU 14 HN LEU 14 68.881 -1.209 0.956 83 HA LEU 14 HA LEU 14 66.653 -2.724 1.958 84 1HB LEU 14 HB2 LEU 14 67.880 -3.007 4.229 85 2HB LEU 14 HB1 LEU 14 68.087 -4.200 2.962 86 HG LEU 14 HG LEU 14 70.160 -3.585 4.209 87 1HD1 LEU 14 1HD1 LEU 14 69.904 -4.353 1.703 88 2HD1 LEU 14 2HD1 LEU 14 71.470 -3.982 2.423 89 3HD1 LEU 14 3HD1 LEU 14 70.647 -2.791 1.415 90 1HD2 LEU 14 1HD2 LEU 14 71.138 -1.366 3.062 91 2HD2 LEU 14 2HD2 LEU 14 70.338 -1.400 4.627 92 3HD2 LEU 14 3HD2 LEU 14 69.445 -0.917 3.194 93 H CYS 15 HN CYS 15 65.616 -1.740 3.795 94 HA CYS 15 HA CYS 15 65.887 1.077 3.844 95 1HB CYS 15 HB2 CYS 15 63.671 -0.109 3.945 96 2HB CYS 15 HB1 CYS 15 64.108 -0.677 5.552 97 H ARG 16 HN ARG 16 68.035 1.374 4.763 98 HA ARG 16 HA ARG 16 68.772 0.210 7.205 99 1HB ARG 16 HB2 ARG 16 69.891 2.215 5.305 100 2HB ARG 16 HB1 ARG 16 70.536 2.181 6.942 101 1HG ARG 16 HG2 ARG 16 70.304 -0.469 5.835 102 2HG ARG 16 HG1 ARG 16 71.327 0.575 4.846 103 1HD ARG 16 HD2 ARG 16 71.847 0.899 7.663 104 2HD ARG 16 HD1 ARG 16 72.039 -0.776 7.158 105 HE ARG 16 HE ARG 16 73.547 0.166 5.380 106 1HH1 ARG 16 1HH1 ARG 16 73.098 1.791 8.442 107 2HH1 ARG 16 2HH1 ARG 16 74.650 2.549 8.403 108 1HH2 ARG 16 1HH2 ARG 16 75.592 1.133 5.349 109 2HH2 ARG 16 2HH2 ARG 16 76.072 2.169 6.650 110 H THR 17 HN THR 17 69.383 3.585 7.071 111 HA THR 17 HA THR 17 68.254 3.983 9.652 112 HB THR 17 HB THR 17 70.374 5.058 8.946 113 HG1 THR 17 HG1 THR 17 69.830 7.131 9.776 114 1HG2 THR 17 1HG2 THR 17 69.934 7.293 7.655 115 2HG2 THR 17 2HG2 THR 17 68.605 6.372 6.953 116 3HG2 THR 17 3HG2 THR 17 70.265 5.794 6.792 117 H TYR 18 HN TYR 18 67.323 4.406 6.450 118 HA TYR 18 HA TYR 18 65.553 6.448 6.306 119 1HB TYR 18 HB2 TYR 18 65.570 3.673 5.168 120 2HB TYR 18 HB1 TYR 18 64.419 4.879 4.654 121 HD1 TYR 18 HD1 TYR 18 65.037 5.118 2.426 122 HD2 TYR 18 HD2 TYR 18 68.034 5.491 5.397 123 HE1 TYR 18 HE1 TYR 18 66.574 6.046 0.759 124 HE2 TYR 18 HE2 TYR 18 69.594 6.354 3.742 125 HH TYR 18 HH TYR 18 68.851 7.655 1.016 126 H SER 19 HN SER 19 64.859 3.104 7.301 127 HA SER 19 HA SER 19 62.186 3.187 7.772 128 1HB SER 19 HB2 SER 19 64.036 1.305 8.122 129 2HB SER 19 HB1 SER 19 63.816 1.764 9.809 130 HG SER 19 HG SER 19 61.826 0.867 7.997 131 H GLU 20 HN GLU 20 64.443 5.066 9.431 132 HA GLU 20 HA GLU 20 62.730 5.378 11.771 133 1HB GLU 20 HB2 GLU 20 65.536 5.454 11.391 134 2HB GLU 20 HB1 GLU 20 65.030 7.072 11.871 135 1HG GLU 20 HG2 GLU 20 63.604 5.591 13.589 136 2HG GLU 20 HG1 GLU 20 65.025 4.559 13.383 137 H SER 21 HN SER 21 61.889 6.253 9.253 138 HA SER 21 HA SER 21 60.744 7.997 8.333 139 1HB SER 21 HB2 SER 21 60.932 8.665 11.115 140 2HB SER 21 HB1 SER 21 61.122 10.138 10.158 141 HG SER 21 HG SER 21 59.182 9.693 9.143 142 H GLY 22 HN GLY 22 63.832 7.715 8.319 143 1HA GLY 22 HA2 GLY 22 64.937 10.264 8.037 144 2HA GLY 22 HA1 GLY 22 65.613 8.793 7.360 145 H ARG 23 HN ARG 23 65.108 8.205 5.308 146 HA ARG 23 HA ARG 23 64.022 10.320 3.590 147 1HB ARG 23 HB2 ARG 23 66.445 9.679 3.382 148 2HB ARG 23 HB1 ARG 23 65.873 8.130 2.801 149 1HG ARG 23 HG2 ARG 23 64.688 10.358 1.380 150 2HG ARG 23 HG1 ARG 23 66.446 10.313 1.256 151 1HD ARG 23 HD2 ARG 23 66.277 7.930 0.545 152 2HD ARG 23 HD1 ARG 23 64.522 8.087 0.559 153 HE ARG 23 HE ARG 23 64.644 9.456 -1.334 154 1HH1 ARG 23 1HH1 ARG 23 67.810 8.411 -0.286 155 2HH1 ARG 23 2HH1 ARG 23 68.576 8.827 -1.778 156 1HH2 ARG 23 1HH2 ARG 23 65.666 10.006 -3.295 157 2HH2 ARG 23 2HH2 ARG 23 67.367 9.740 -3.477 158 H CYS 24 HN CYS 24 64.562 6.899 3.374 159 HA CYS 24 HA CYS 24 63.355 5.145 2.634 160 1HB CYS 24 HB2 CYS 24 61.243 6.954 3.624 161 2HB CYS 24 HB1 CYS 24 60.727 5.643 2.564 162 H ARG 25 HN ARG 25 64.355 5.473 0.630 163 HA ARG 25 HA ARG 25 63.557 7.138 -1.428 164 1HB ARG 25 HB2 ARG 25 65.692 5.953 -1.374 165 2HB ARG 25 HB1 ARG 25 64.864 4.428 -1.542 166 1HG ARG 25 HG2 ARG 25 65.597 4.745 -3.680 167 2HG ARG 25 HG1 ARG 25 63.990 5.469 -3.777 168 1HD ARG 25 HD2 ARG 25 65.320 7.068 -4.802 169 2HD ARG 25 HD1 ARG 25 65.220 7.668 -3.146 170 HE ARG 25 HE ARG 25 67.485 7.478 -3.050 171 1HH1 ARG 25 1HH1 ARG 25 66.362 5.190 -5.438 172 2HH1 ARG 25 2HH1 ARG 25 67.951 4.609 -5.801 173 1HH2 ARG 25 1HH2 ARG 25 69.577 6.691 -3.526 174 2HH2 ARG 25 2HH2 ARG 25 69.767 5.450 -4.720 175 H TYR 26 HN TYR 26 61.873 4.500 -0.197 176 HA TYR 26 HA TYR 26 59.945 4.604 -2.394 177 1HB TYR 26 HB2 TYR 26 61.135 2.103 -1.174 178 2HB TYR 26 HB1 TYR 26 59.636 2.091 -2.090 179 HD1 TYR 26 HD1 TYR 26 60.739 4.206 -4.145 180 HD2 TYR 26 HD2 TYR 26 62.199 0.524 -2.601 181 HE1 TYR 26 HE1 TYR 26 62.034 3.865 -6.208 182 HE2 TYR 26 HE2 TYR 26 63.504 0.178 -4.647 183 HH TYR 26 HH TYR 26 64.039 2.608 -6.929 184 H GLY 27 HN GLY 27 59.616 6.031 -0.191 185 1HA GLY 27 HA2 GLY 27 58.725 5.139 2.169 186 2HA GLY 27 HA1 GLY 27 57.912 6.438 1.320 187 H ALA 28 HN ALA 28 57.491 3.578 2.820 188 HA ALA 28 HA ALA 28 55.625 2.342 3.199 189 1HB ALA 28 HB1 ALA 28 54.080 3.410 0.914 190 2HB ALA 28 HB2 ALA 28 54.516 4.540 2.199 191 3HB ALA 28 HB3 ALA 28 53.584 3.093 2.578 192 H LYS 29 HN LYS 29 57.145 2.487 0.164 193 HA LYS 29 HA LYS 29 56.196 -0.155 -0.525 194 1HB LYS 29 HB2 LYS 29 55.691 1.943 -1.993 195 2HB LYS 29 HB1 LYS 29 57.357 1.723 -2.511 196 1HG LYS 29 HG2 LYS 29 56.920 -0.277 -3.537 197 2HG LYS 29 HG1 LYS 29 55.462 -0.553 -2.574 198 1HD LYS 29 HD2 LYS 29 54.913 0.047 -4.893 199 2HD LYS 29 HD1 LYS 29 54.328 1.252 -3.742 200 1HE LYS 29 HE2 LYS 29 55.306 2.668 -5.230 201 2HE LYS 29 HE1 LYS 29 56.720 2.308 -4.232 202 1HZ LYS 29 HZ1 LYS 29 57.385 0.629 -5.821 203 2HZ LYS 29 HZ2 LYS 29 57.195 2.115 -6.607 204 3HZ LYS 29 HZ3 LYS 29 56.009 0.919 -6.763 205 H CYS 30 HN CYS 30 58.717 1.177 0.897 206 HA CYS 30 HA CYS 30 60.857 0.397 -0.792 207 1HB CYS 30 HB2 CYS 30 62.301 0.792 1.184 208 2HB CYS 30 HB1 CYS 30 61.282 2.153 0.711 209 H GLN 31 HN GLN 31 61.927 -1.326 -0.994 210 HA GLN 31 HA GLN 31 61.771 -3.470 0.974 211 1HB GLN 31 HB2 GLN 31 60.694 -3.558 -1.628 212 2HB GLN 31 HB1 GLN 31 62.110 -4.607 -1.608 213 1HG GLN 31 HG2 GLN 31 61.054 -5.480 0.603 214 2HG GLN 31 HG1 GLN 31 59.574 -4.800 -0.075 215 1HE2 GLN 31 1HE2 GLN 31 59.201 -5.458 -2.425 216 2HE2 GLN 31 2HE2 GLN 31 59.457 -7.135 -2.787 217 H PHE 32 HN PHE 32 63.594 -1.471 -1.049 218 HA PHE 32 HA PHE 32 66.036 -2.678 -0.158 219 1HB PHE 32 HB2 PHE 32 65.323 -2.622 -3.069 220 2HB PHE 32 HB1 PHE 32 66.941 -2.905 -2.458 221 HD1 PHE 32 HD1 PHE 32 63.586 -4.290 -2.862 222 HD2 PHE 32 HD2 PHE 32 67.527 -4.979 -1.424 223 HE1 PHE 32 HE1 PHE 32 63.137 -6.715 -2.798 224 HE2 PHE 32 HE2 PHE 32 67.090 -7.405 -1.359 225 HZ PHE 32 HZ PHE 32 64.888 -8.272 -2.056 226 H ALA 33 HN ALA 33 65.556 -0.765 -3.111 227 HA ALA 33 HA ALA 33 67.586 0.956 -2.914 228 1HB ALA 33 HB1 ALA 33 66.223 2.693 -4.064 229 2HB ALA 33 HB2 ALA 33 64.817 1.666 -3.822 230 3HB ALA 33 HB3 ALA 33 66.157 1.096 -4.813 231 H HIS 34 HN HIS 34 68.305 1.771 -1.097 232 HA HIS 34 HA HIS 34 66.980 4.005 0.126 233 1HB HIS 34 HB2 HIS 34 66.857 1.304 1.329 234 2HB HIS 34 HB1 HIS 34 67.354 2.580 2.420 235 HD1 HIS 34 HD1 HIS 34 64.610 3.113 -0.145 236 HD2 HIS 34 HD2 HIS 34 65.223 2.581 3.894 237 HE1 HIS 34 HE1 HIS 34 62.405 3.623 1.006 238 H GLY 35 HN GLY 35 68.515 3.724 2.633 239 1HA GLY 35 HA2 GLY 35 70.974 4.845 1.879 240 2HA GLY 35 HA1 GLY 35 70.531 4.273 3.488 241 H LEU 36 HN LEU 36 72.181 3.549 0.586 242 HA LEU 36 HA LEU 36 73.647 1.902 0.027 243 1HB LEU 36 HB2 LEU 36 74.412 2.617 2.419 244 2HB LEU 36 HB1 LEU 36 73.735 1.074 2.903 245 HG LEU 36 HG LEU 36 75.499 0.814 0.610 246 1HD1 LEU 36 1HD1 LEU 36 76.931 1.503 3.129 247 2HD1 LEU 36 2HD1 LEU 36 76.411 2.799 2.052 248 3HD1 LEU 36 3HD1 LEU 36 77.496 1.544 1.457 249 1HD2 LEU 36 1HD2 LEU 36 76.109 -1.121 1.662 250 2HD2 LEU 36 2HD2 LEU 36 74.527 -0.868 2.395 251 3HD2 LEU 36 3HD2 LEU 36 75.988 -0.416 3.275 252 H GLY 37 HN GLY 37 73.917 -0.463 0.029 253 1HA GLY 37 HA2 GLY 37 72.423 -2.367 1.174 254 2HA GLY 37 HA1 GLY 37 71.354 -1.697 -0.033 255 H GLU 38 HN GLU 38 73.956 -3.741 0.609 256 HA GLU 38 HA GLU 38 73.998 -4.570 -2.204 257 1HB GLU 38 HB2 GLU 38 76.463 -4.287 -0.492 258 2HB GLU 38 HB1 GLU 38 76.404 -4.739 -2.188 259 1HG GLU 38 HG2 GLU 38 75.099 -2.346 -2.182 260 2HG GLU 38 HG1 GLU 38 76.326 -2.111 -0.938 261 H LEU 39 HN LEU 39 72.472 -5.777 -0.295 262 HA LEU 39 HA LEU 39 73.640 -7.806 1.195 263 1HB LEU 39 HB2 LEU 39 70.945 -8.041 -0.125 264 2HB LEU 39 HB1 LEU 39 71.504 -8.877 1.314 265 HG LEU 39 HG LEU 39 71.568 -5.948 1.493 266 1HD1 LEU 39 1HD1 LEU 39 68.969 -7.465 1.223 267 2HD1 LEU 39 2HD1 LEU 39 69.517 -6.097 0.255 268 3HD1 LEU 39 3HD1 LEU 39 69.095 -5.868 1.950 269 1HD2 LEU 39 1HD2 LEU 39 72.027 -6.980 3.501 270 2HD2 LEU 39 2HD2 LEU 39 70.865 -8.274 3.227 271 3HD2 LEU 39 3HD2 LEU 39 70.298 -6.663 3.662 272 H ARG 40 HN ARG 40 73.260 -7.579 -2.175 273 HA ARG 40 HA ARG 40 74.316 -10.282 -2.525 274 1HB ARG 40 HB2 ARG 40 72.844 -10.839 -4.239 275 2HB ARG 40 HB1 ARG 40 71.813 -10.057 -3.052 276 1HG ARG 40 HG2 ARG 40 71.072 -8.756 -4.669 277 2HG ARG 40 HG1 ARG 40 72.666 -8.006 -4.725 278 1HD ARG 40 HD2 ARG 40 73.357 -9.338 -6.505 279 2HD ARG 40 HD1 ARG 40 72.117 -10.546 -6.205 280 HE ARG 40 HE ARG 40 71.348 -7.868 -7.128 281 1HH1 ARG 40 1HH1 ARG 40 71.504 -11.323 -7.689 282 2HH1 ARG 40 2HH1 ARG 40 70.470 -11.259 -9.076 283 1HH2 ARG 40 1HH2 ARG 40 70.002 -7.803 -8.952 284 2HH2 ARG 40 2HH2 ARG 40 69.623 -9.268 -9.794 285 H GLN 41 HN GLN 41 75.865 -8.014 -2.388 286 HA GLN 41 HA GLN 41 77.124 -8.056 -4.943 287 1HB GLN 41 HB2 GLN 41 75.996 -5.481 -3.847 288 2HB GLN 41 HB1 GLN 41 77.157 -5.567 -5.164 289 1HG GLN 41 HG2 GLN 41 75.408 -7.081 -6.294 290 2HG GLN 41 HG1 GLN 41 74.294 -6.399 -5.112 291 1HE2 GLN 41 1HE2 GLN 41 73.148 -5.515 -6.908 292 2HE2 GLN 41 2HE2 GLN 41 73.690 -4.054 -7.653 293 H ALA 42 HN ALA 42 77.028 -6.381 -1.807 294 HA ALA 42 HA ALA 42 79.453 -7.236 -0.845 295 1HB ALA 42 HB1 ALA 42 79.782 -5.267 -2.920 296 2HB ALA 42 HB2 ALA 42 81.007 -6.205 -2.067 297 3HB ALA 42 HB3 ALA 42 80.435 -4.679 -1.393 298 H ASN 43 HN ASN 43 78.036 -7.135 0.977 299 HA ASN 43 HA ASN 43 77.294 -4.490 1.948 300 1HB ASN 43 HB2 ASN 43 76.052 -6.950 2.087 301 2HB ASN 43 HB1 ASN 43 76.714 -6.759 3.704 302 1HD2 ASN 43 1HD2 ASN 43 74.241 -6.843 3.935 303 2HD2 ASN 43 2HD2 ASN 43 73.454 -5.307 4.011 Start of MODEL 18 1 H MET 4 HT1 MET 4 69.766 -23.191 -2.032 2 HA MET 4 HA MET 4 69.370 -23.914 -4.563 3 1HB MET 4 HB2 MET 4 67.731 -22.935 -2.291 4 2HB MET 4 HB1 MET 4 66.917 -23.059 -3.844 5 1HG MET 4 HG2 MET 4 66.872 -25.292 -3.784 6 2HG MET 4 HG1 MET 4 68.508 -25.408 -3.138 7 1HE MET 4 HE1 MET 4 68.753 -26.763 -1.284 8 2HE MET 4 HE2 MET 4 67.265 -27.634 -1.660 9 3HE MET 4 HE3 MET 4 67.579 -27.096 -0.011 10 H THR 5 HN THR 5 68.374 -23.062 -6.409 11 HA THR 5 HA THR 5 69.133 -20.419 -7.100 12 HB THR 5 HB THR 5 67.125 -22.092 -8.601 13 HG1 THR 5 HG1 THR 5 68.727 -23.517 -8.378 14 1HG2 THR 5 1HG2 THR 5 67.304 -20.318 -9.956 15 2HG2 THR 5 2HG2 THR 5 68.808 -21.097 -10.448 16 3HG2 THR 5 3HG2 THR 5 68.837 -19.798 -9.255 17 H THR 6 HN THR 6 67.712 -18.686 -7.822 18 HA THR 6 HA THR 6 65.143 -18.669 -6.370 19 HB THR 6 HB THR 6 65.725 -16.045 -6.472 20 HG1 THR 6 HG1 THR 6 68.240 -17.315 -6.164 21 1HG2 THR 6 1HG2 THR 6 65.208 -17.375 -4.437 22 2HG2 THR 6 2HG2 THR 6 66.439 -16.133 -4.204 23 3HG2 THR 6 3HG2 THR 6 66.910 -17.827 -4.360 24 H SER 7 HN SER 7 66.512 -18.566 -9.407 25 HA SER 7 HA SER 7 65.585 -18.249 -11.465 26 1HB SER 7 HB2 SER 7 63.424 -18.964 -10.432 27 2HB SER 7 HB1 SER 7 63.100 -17.280 -10.030 28 HG SER 7 HG SER 7 63.737 -17.869 -12.682 29 H SER 8 HN SER 8 64.156 -15.628 -9.508 30 HA SER 8 HA SER 8 65.917 -13.678 -10.706 31 1HB SER 8 HB2 SER 8 62.964 -13.263 -11.144 32 2HB SER 8 HB1 SER 8 64.317 -12.409 -11.885 33 HG SER 8 HG SER 8 63.111 -14.754 -12.619 34 H ARG 9 HN ARG 9 66.518 -13.255 -8.578 35 HA ARG 9 HA ARG 9 64.620 -12.624 -6.545 36 1HB ARG 9 HB2 ARG 9 66.835 -13.534 -6.017 37 2HB ARG 9 HB1 ARG 9 67.596 -12.091 -6.671 38 1HG ARG 9 HG2 ARG 9 67.549 -12.049 -4.243 39 2HG ARG 9 HG1 ARG 9 66.578 -10.741 -4.916 40 1HD ARG 9 HD2 ARG 9 65.228 -11.570 -3.216 41 2HD ARG 9 HD1 ARG 9 64.600 -12.382 -4.648 42 HE ARG 9 HE ARG 9 66.544 -14.036 -3.545 43 1HH1 ARG 9 1HH1 ARG 9 63.418 -12.745 -2.675 44 2HH1 ARG 9 2HH1 ARG 9 62.999 -14.098 -1.679 45 1HH2 ARG 9 1HH2 ARG 9 65.986 -15.820 -2.244 46 2HH2 ARG 9 2HH2 ARG 9 64.453 -15.840 -1.436 47 H TYR 10 HN TYR 10 64.566 -10.560 -5.390 48 HA TYR 10 HA TYR 10 63.994 -8.419 -7.167 49 1HB TYR 10 HB2 TYR 10 63.747 -9.003 -4.279 50 2HB TYR 10 HB1 TYR 10 63.810 -7.314 -4.729 51 HD1 TYR 10 HD1 TYR 10 61.682 -6.354 -4.780 52 HD2 TYR 10 HD2 TYR 10 62.235 -10.337 -6.165 53 HE1 TYR 10 HE1 TYR 10 59.302 -6.465 -5.391 54 HE2 TYR 10 HE2 TYR 10 59.856 -10.460 -6.783 55 HH TYR 10 HH TYR 10 57.819 -7.689 -6.815 56 H LYS 11 HN LYS 11 64.791 -6.204 -5.691 57 HA LYS 11 HA LYS 11 67.227 -5.597 -6.808 58 1HB LYS 11 HB2 LYS 11 66.150 -4.198 -4.383 59 2HB LYS 11 HB1 LYS 11 67.073 -3.521 -5.716 60 1HG LYS 11 HG2 LYS 11 64.856 -4.537 -6.976 61 2HG LYS 11 HG1 LYS 11 64.206 -3.934 -5.441 62 1HD LYS 11 HD2 LYS 11 64.138 -1.944 -6.479 63 2HD LYS 11 HD1 LYS 11 65.879 -1.904 -6.194 64 1HE LYS 11 HE2 LYS 11 66.248 -1.894 -8.384 65 2HE LYS 11 HE1 LYS 11 65.395 -3.430 -8.544 66 1HZ LYS 11 HZ1 LYS 11 63.721 -2.399 -9.537 67 2HZ LYS 11 HZ2 LYS 11 64.610 -0.960 -9.515 68 3HZ LYS 11 HZ3 LYS 11 63.541 -1.313 -8.252 69 H THR 12 HN THR 12 68.654 -4.267 -4.855 70 HA THR 12 HA THR 12 69.736 -6.428 -3.169 71 HB THR 12 HB THR 12 71.151 -6.327 -5.092 72 HG1 THR 12 HG1 THR 12 72.743 -4.735 -3.496 73 1HG2 THR 12 1HG2 THR 12 72.137 -3.621 -4.883 74 2HG2 THR 12 2HG2 THR 12 70.422 -3.664 -5.275 75 3HG2 THR 12 3HG2 THR 12 71.579 -4.519 -6.295 76 H GLU 13 HN GLU 13 68.101 -3.925 -2.581 77 HA GLU 13 HA GLU 13 69.977 -2.691 -0.756 78 1HB GLU 13 HB2 GLU 13 68.218 -1.531 -2.699 79 2HB GLU 13 HB1 GLU 13 67.876 -0.915 -1.093 80 1HG GLU 13 HG2 GLU 13 69.781 0.249 -0.989 81 2HG GLU 13 HG1 GLU 13 70.710 -1.044 -1.740 82 H LEU 14 HN LEU 14 68.639 -1.431 1.063 83 HA LEU 14 HA LEU 14 66.344 -2.893 2.029 84 1HB LEU 14 HB2 LEU 14 67.677 -3.357 4.234 85 2HB LEU 14 HB1 LEU 14 67.747 -4.484 2.893 86 HG LEU 14 HG LEU 14 69.940 -3.974 4.055 87 1HD1 LEU 14 1HD1 LEU 14 71.149 -4.320 2.139 88 2HD1 LEU 14 2HD1 LEU 14 70.165 -3.223 1.184 89 3HD1 LEU 14 3HD1 LEU 14 69.540 -4.812 1.620 90 1HD2 LEU 14 1HD2 LEU 14 69.878 -1.422 2.488 91 2HD2 LEU 14 2HD2 LEU 14 71.030 -1.933 3.716 92 3HD2 LEU 14 3HD2 LEU 14 69.387 -1.505 4.175 93 H CYS 15 HN CYS 15 65.200 -1.801 3.590 94 HA CYS 15 HA CYS 15 65.720 0.944 3.926 95 1HB CYS 15 HB2 CYS 15 63.434 -0.186 3.869 96 2HB CYS 15 HB1 CYS 15 63.755 -0.732 5.513 97 H ARG 16 HN ARG 16 67.863 0.937 4.903 98 HA ARG 16 HA ARG 16 68.325 -0.305 7.411 99 1HB ARG 16 HB2 ARG 16 69.833 1.530 5.567 100 2HB ARG 16 HB1 ARG 16 70.413 1.254 7.206 101 1HG ARG 16 HG2 ARG 16 69.702 -1.200 5.836 102 2HG ARG 16 HG1 ARG 16 70.986 -0.298 5.028 103 1HD ARG 16 HD2 ARG 16 71.358 -0.390 7.893 104 2HD ARG 16 HD1 ARG 16 71.241 -2.004 7.198 105 HE ARG 16 HE ARG 16 73.070 -0.081 5.970 106 1HH1 ARG 16 1HH1 ARG 16 72.618 -2.975 7.886 107 2HH1 ARG 16 2HH1 ARG 16 74.260 -3.491 7.706 108 1HH2 ARG 16 1HH2 ARG 16 75.221 -0.768 5.742 109 2HH2 ARG 16 2HH2 ARG 16 75.736 -2.240 6.494 110 H THR 17 HN THR 17 69.414 2.958 7.138 111 HA THR 17 HA THR 17 68.291 3.674 9.639 112 HB THR 17 HB THR 17 70.478 4.511 8.883 113 HG1 THR 17 HG1 THR 17 70.051 6.758 9.386 114 1HG2 THR 17 1HG2 THR 17 70.581 5.059 6.715 115 2HG2 THR 17 2HG2 THR 17 70.131 6.651 7.329 116 3HG2 THR 17 3HG2 THR 17 68.901 5.586 6.655 117 H TYR 18 HN TYR 18 67.389 3.941 6.379 118 HA TYR 18 HA TYR 18 65.759 6.108 6.139 119 1HB TYR 18 HB2 TYR 18 65.727 3.312 5.054 120 2HB TYR 18 HB1 TYR 18 64.524 4.484 4.554 121 HD1 TYR 18 HD1 TYR 18 65.020 4.976 2.367 122 HD2 TYR 18 HD2 TYR 18 68.175 4.940 5.187 123 HE1 TYR 18 HE1 TYR 18 66.525 5.930 0.685 124 HE2 TYR 18 HE2 TYR 18 69.706 5.842 3.506 125 HH TYR 18 HH TYR 18 69.681 7.057 1.461 126 H SER 19 HN SER 19 64.900 2.866 7.325 127 HA SER 19 HA SER 19 62.211 3.099 7.660 128 1HB SER 19 HB2 SER 19 62.332 1.278 9.179 129 2HB SER 19 HB1 SER 19 63.681 1.070 8.062 130 HG SER 19 HG SER 19 64.846 2.367 9.807 131 H GLU 20 HN GLU 20 64.578 4.820 9.385 132 HA GLU 20 HA GLU 20 62.716 5.475 11.538 133 1HB GLU 20 HB2 GLU 20 65.585 5.232 11.350 134 2HB GLU 20 HB1 GLU 20 65.136 6.815 11.979 135 1HG GLU 20 HG2 GLU 20 64.348 5.977 13.897 136 2HG GLU 20 HG1 GLU 20 63.653 4.561 13.100 137 H SER 21 HN SER 21 62.319 6.367 8.894 138 HA SER 21 HA SER 21 61.543 8.239 7.830 139 1HB SER 21 HB2 SER 21 61.226 8.827 10.508 140 2HB SER 21 HB1 SER 21 62.161 10.198 9.919 141 HG SER 21 HG SER 21 60.567 10.542 8.350 142 H GLY 22 HN GLY 22 64.534 7.508 8.168 143 1HA GLY 22 HA2 GLY 22 65.972 9.904 7.964 144 2HA GLY 22 HA1 GLY 22 66.569 8.317 7.515 145 H ARG 23 HN ARG 23 64.123 8.212 5.658 146 HA ARG 23 HA ARG 23 64.264 10.140 3.685 147 1HB ARG 23 HB2 ARG 23 66.632 9.275 3.616 148 2HB ARG 23 HB1 ARG 23 65.948 7.806 2.967 149 1HG ARG 23 HG2 ARG 23 65.227 10.322 1.623 150 2HG ARG 23 HG1 ARG 23 66.873 9.719 1.408 151 1HD ARG 23 HD2 ARG 23 66.099 8.344 -0.172 152 2HD ARG 23 HD1 ARG 23 65.197 7.488 1.073 153 HE ARG 23 HE ARG 23 63.269 8.656 0.464 154 1HH1 ARG 23 1HH1 ARG 23 66.021 9.668 -1.445 155 2HH1 ARG 23 2HH1 ARG 23 65.052 10.469 -2.634 156 1HH2 ARG 23 1HH2 ARG 23 62.004 9.704 -1.098 157 2HH2 ARG 23 2HH2 ARG 23 62.771 10.493 -2.436 158 H CYS 24 HN CYS 24 64.596 6.696 3.405 159 HA CYS 24 HA CYS 24 63.301 5.050 2.573 160 1HB CYS 24 HB2 CYS 24 61.294 6.936 3.614 161 2HB CYS 24 HB1 CYS 24 60.729 5.701 2.504 162 H ARG 25 HN ARG 25 64.339 5.425 0.575 163 HA ARG 25 HA ARG 25 63.684 7.182 -1.417 164 1HB ARG 25 HB2 ARG 25 65.644 5.785 -1.508 165 2HB ARG 25 HB1 ARG 25 64.661 4.350 -1.604 166 1HG ARG 25 HG2 ARG 25 65.094 4.491 -3.796 167 2HG ARG 25 HG1 ARG 25 63.788 5.686 -3.792 168 1HD ARG 25 HD2 ARG 25 65.305 7.488 -3.733 169 2HD ARG 25 HD1 ARG 25 66.651 6.444 -3.287 170 HE ARG 25 HE ARG 25 65.374 6.452 -5.949 171 1HH1 ARG 25 1HH1 ARG 25 68.211 6.089 -3.925 172 2HH1 ARG 25 2HH1 ARG 25 69.270 5.808 -5.263 173 1HH2 ARG 25 1HH2 ARG 25 66.780 6.079 -7.694 174 2HH2 ARG 25 2HH2 ARG 25 68.463 5.801 -7.397 175 H TYR 26 HN TYR 26 61.787 4.601 -0.313 176 HA TYR 26 HA TYR 26 59.707 5.193 -2.270 177 1HB TYR 26 HB2 TYR 26 60.612 2.375 -1.606 178 2HB TYR 26 HB1 TYR 26 59.158 2.771 -2.509 179 HD1 TYR 26 HD1 TYR 26 60.190 4.891 -4.310 180 HD2 TYR 26 HD2 TYR 26 61.915 1.189 -3.132 181 HE1 TYR 26 HE1 TYR 26 61.445 4.808 -6.422 182 HE2 TYR 26 HE2 TYR 26 63.172 1.096 -5.238 183 HH TYR 26 HH TYR 26 62.595 3.345 -7.827 184 H GLY 27 HN GLY 27 59.932 6.089 0.336 185 1HA GLY 27 HA2 GLY 27 59.043 4.758 2.482 186 2HA GLY 27 HA1 GLY 27 58.444 6.362 2.099 187 H ALA 28 HN ALA 28 57.362 3.713 3.240 188 HA ALA 28 HA ALA 28 55.298 2.790 3.436 189 1HB ALA 28 HB1 ALA 28 53.907 4.171 1.302 190 2HB ALA 28 HB2 ALA 28 54.731 5.279 2.397 191 3HB ALA 28 HB3 ALA 28 53.561 4.122 3.031 192 H LYS 29 HN LYS 29 56.790 3.104 0.372 193 HA LYS 29 HA LYS 29 55.516 0.679 -0.566 194 1HB LYS 29 HB2 LYS 29 55.292 3.080 -1.705 195 2HB LYS 29 HB1 LYS 29 56.804 2.578 -2.436 196 1HG LYS 29 HG2 LYS 29 55.828 1.072 -3.755 197 2HG LYS 29 HG1 LYS 29 54.651 0.603 -2.523 198 1HD LYS 29 HD2 LYS 29 53.759 1.800 -4.610 199 2HD LYS 29 HD1 LYS 29 53.225 2.396 -3.038 200 1HE LYS 29 HE2 LYS 29 53.960 4.418 -3.602 201 2HE LYS 29 HE1 LYS 29 55.602 3.778 -3.635 202 1HZ LYS 29 HZ1 LYS 29 53.963 4.619 -5.796 203 2HZ LYS 29 HZ2 LYS 29 54.461 3.019 -6.025 204 3HZ LYS 29 HZ3 LYS 29 55.611 4.236 -5.789 205 H CYS 30 HN CYS 30 58.213 1.569 0.873 206 HA CYS 30 HA CYS 30 60.170 0.746 -1.029 207 1HB CYS 30 HB2 CYS 30 61.790 0.951 0.804 208 2HB CYS 30 HB1 CYS 30 60.796 2.396 0.562 209 H GLN 31 HN GLN 31 60.707 -1.174 -1.563 210 HA GLN 31 HA GLN 31 60.494 -3.390 0.325 211 1HB GLN 31 HB2 GLN 31 60.836 -4.618 -2.028 212 2HB GLN 31 HB1 GLN 31 59.240 -4.186 -1.422 213 1HG GLN 31 HG2 GLN 31 59.085 -2.352 -2.871 214 2HG GLN 31 HG1 GLN 31 60.816 -2.368 -3.213 215 1HE2 GLN 31 1HE2 GLN 31 61.606 -3.663 -4.778 216 2HE2 GLN 31 2HE2 GLN 31 60.616 -4.635 -5.827 217 H PHE 32 HN PHE 32 62.444 -1.429 -1.653 218 HA PHE 32 HA PHE 32 64.896 -2.403 -0.562 219 1HB PHE 32 HB2 PHE 32 64.411 -2.699 -3.534 220 2HB PHE 32 HB1 PHE 32 65.954 -2.930 -2.726 221 HD1 PHE 32 HD1 PHE 32 62.633 -4.321 -3.296 222 HD2 PHE 32 HD2 PHE 32 66.421 -4.890 -1.467 223 HE1 PHE 32 HE1 PHE 32 62.133 -6.717 -2.996 224 HE2 PHE 32 HE2 PHE 32 65.933 -7.277 -1.157 225 HZ PHE 32 HZ PHE 32 63.790 -8.200 -1.935 226 H ALA 33 HN ALA 33 66.425 -1.221 -2.844 227 HA ALA 33 HA ALA 33 67.413 0.822 -3.179 228 1HB ALA 33 HB1 ALA 33 66.116 1.152 -5.002 229 2HB ALA 33 HB2 ALA 33 65.478 2.474 -4.021 230 3HB ALA 33 HB3 ALA 33 64.616 0.940 -4.101 231 H HIS 34 HN HIS 34 68.145 1.523 -1.214 232 HA HIS 34 HA HIS 34 66.829 3.786 -0.024 233 1HB HIS 34 HB2 HIS 34 66.476 1.080 1.051 234 2HB HIS 34 HB1 HIS 34 67.059 2.213 2.236 235 HD1 HIS 34 HD1 HIS 34 64.357 3.023 -0.338 236 HD2 HIS 34 HD2 HIS 34 64.974 2.443 3.695 237 HE1 HIS 34 HE1 HIS 34 62.177 3.610 0.837 238 H GLY 35 HN GLY 35 68.325 3.059 2.615 239 1HA GLY 35 HA2 GLY 35 70.726 4.371 2.111 240 2HA GLY 35 HA1 GLY 35 70.288 3.502 3.593 241 H LEU 36 HN LEU 36 72.458 3.644 1.171 242 HA LEU 36 HA LEU 36 74.011 2.242 0.283 243 1HB LEU 36 HB2 LEU 36 74.617 2.488 2.680 244 2HB LEU 36 HB1 LEU 36 73.774 0.993 3.019 245 HG LEU 36 HG LEU 36 75.809 0.833 0.907 246 1HD1 LEU 36 1HD1 LEU 36 76.743 0.995 3.755 247 2HD1 LEU 36 2HD1 LEU 36 76.742 2.402 2.694 248 3HD1 LEU 36 3HD1 LEU 36 77.704 0.985 2.275 249 1HD2 LEU 36 1HD2 LEU 36 74.770 -0.819 3.160 250 2HD2 LEU 36 2HD2 LEU 36 76.368 -1.176 2.504 251 3HD2 LEU 36 3HD2 LEU 36 74.954 -1.225 1.454 252 H GLY 37 HN GLY 37 72.853 -0.380 2.343 253 1HA GLY 37 HA2 GLY 37 72.115 -2.479 1.808 254 2HA GLY 37 HA1 GLY 37 71.072 -1.645 0.685 255 H GLU 38 HN GLU 38 74.260 -2.972 1.073 256 HA GLU 38 HA GLU 38 74.271 -3.675 -1.788 257 1HB GLU 38 HB2 GLU 38 76.755 -2.878 -0.258 258 2HB GLU 38 HB1 GLU 38 76.599 -3.151 -1.988 259 1HG GLU 38 HG2 GLU 38 74.775 -1.155 -1.529 260 2HG GLU 38 HG1 GLU 38 76.083 -0.758 -0.414 261 H LEU 39 HN LEU 39 73.314 -5.315 0.205 262 HA LEU 39 HA LEU 39 75.353 -7.077 1.189 263 1HB LEU 39 HB2 LEU 39 72.392 -7.581 0.991 264 2HB LEU 39 HB1 LEU 39 73.538 -8.453 1.995 265 HG LEU 39 HG LEU 39 73.397 -5.539 2.398 266 1HD1 LEU 39 1HD1 LEU 39 71.009 -6.320 2.103 267 2HD1 LEU 39 2HD1 LEU 39 71.385 -5.560 3.650 268 3HD1 LEU 39 3HD1 LEU 39 71.250 -7.315 3.538 269 1HD2 LEU 39 1HD2 LEU 39 74.752 -7.404 3.651 270 2HD2 LEU 39 2HD2 LEU 39 73.242 -7.611 4.535 271 3HD2 LEU 39 3HD2 LEU 39 74.057 -6.047 4.539 272 H ARG 40 HN ARG 40 73.817 -6.747 -1.781 273 HA ARG 40 HA ARG 40 74.779 -9.387 -2.616 274 1HB ARG 40 HB2 ARG 40 72.683 -8.810 -4.355 275 2HB ARG 40 HB1 ARG 40 72.692 -10.025 -3.090 276 1HG ARG 40 HG2 ARG 40 72.018 -7.305 -2.201 277 2HG ARG 40 HG1 ARG 40 70.865 -8.053 -3.306 278 1HD ARG 40 HD2 ARG 40 71.902 -9.524 -0.905 279 2HD ARG 40 HD1 ARG 40 70.545 -8.406 -0.777 280 HE ARG 40 HE ARG 40 70.278 -10.409 -2.841 281 1HH1 ARG 40 1HH1 ARG 40 69.647 -9.591 0.498 282 2HH1 ARG 40 2HH1 ARG 40 68.355 -10.733 0.659 283 1HH2 ARG 40 1HH2 ARG 40 68.586 -11.909 -2.621 284 2HH2 ARG 40 2HH2 ARG 40 67.752 -12.048 -1.109 285 H GLN 41 HN GLN 41 75.870 -6.615 -2.765 286 HA GLN 41 HA GLN 41 76.567 -6.696 -5.551 287 1HB GLN 41 HB2 GLN 41 75.416 -4.275 -4.181 288 2HB GLN 41 HB1 GLN 41 76.301 -4.193 -5.699 289 1HG GLN 41 HG2 GLN 41 74.160 -6.160 -5.724 290 2HG GLN 41 HG1 GLN 41 73.609 -4.517 -5.423 291 1HE2 GLN 41 1HE2 GLN 41 74.208 -6.710 -7.774 292 2HE2 GLN 41 2HE2 GLN 41 74.454 -5.649 -9.114 293 H ALA 42 HN ALA 42 77.057 -5.101 -2.434 294 HA ALA 42 HA ALA 42 78.932 -4.430 -1.340 295 1HB ALA 42 HB1 ALA 42 81.134 -5.515 -2.241 296 2HB ALA 42 HB2 ALA 42 80.024 -6.516 -3.176 297 3HB ALA 42 HB3 ALA 42 79.931 -6.502 -1.414 298 H ASN 43 HN ASN 43 80.993 -3.171 -1.629 299 HA ASN 43 HA ASN 43 80.570 -1.071 -3.476 300 1HB ASN 43 HB2 ASN 43 82.201 -1.531 -1.211 301 2HB ASN 43 HB1 ASN 43 83.285 -1.090 -2.529 302 1HD2 ASN 43 1HD2 ASN 43 83.774 0.968 -2.342 303 2HD2 ASN 43 2HD2 ASN 43 82.668 2.253 -2.011 Start of MODEL 19 1 H MET 4 HT1 MET 4 76.044 -11.472 -15.001 2 HA MET 4 HA MET 4 76.610 -11.076 -12.149 3 1HB MET 4 HB2 MET 4 76.499 -9.178 -14.407 4 2HB MET 4 HB1 MET 4 75.522 -8.736 -13.013 5 1HG MET 4 HG2 MET 4 77.714 -9.270 -11.690 6 2HG MET 4 HG1 MET 4 78.475 -8.990 -13.255 7 1HE MET 4 HE1 MET 4 78.277 -6.803 -14.615 8 2HE MET 4 HE2 MET 4 79.619 -6.715 -13.473 9 3HE MET 4 HE3 MET 4 78.562 -5.321 -13.704 10 H THR 5 HN THR 5 74.703 -12.679 -14.032 11 HA THR 5 HA THR 5 72.125 -11.541 -13.631 12 HB THR 5 HB THR 5 72.533 -14.477 -14.048 13 HG1 THR 5 HG1 THR 5 72.878 -12.533 -16.080 14 1HG2 THR 5 1HG2 THR 5 70.798 -13.756 -15.923 15 2HG2 THR 5 2HG2 THR 5 70.493 -12.465 -14.761 16 3HG2 THR 5 3HG2 THR 5 70.312 -14.150 -14.275 17 H THR 6 HN THR 6 70.397 -12.544 -12.346 18 HA THR 6 HA THR 6 71.347 -13.958 -9.957 19 HB THR 6 HB THR 6 70.227 -12.484 -8.459 20 HG1 THR 6 HG1 THR 6 69.178 -11.253 -10.784 21 1HG2 THR 6 1HG2 THR 6 71.410 -10.534 -10.395 22 2HG2 THR 6 2HG2 THR 6 72.417 -11.655 -9.478 23 3HG2 THR 6 3HG2 THR 6 71.400 -10.489 -8.633 24 H SER 7 HN SER 7 69.739 -14.608 -12.413 25 HA SER 7 HA SER 7 68.038 -16.023 -12.916 26 1HB SER 7 HB2 SER 7 67.629 -16.140 -9.916 27 2HB SER 7 HB1 SER 7 66.791 -17.157 -11.084 28 HG SER 7 HG SER 7 68.973 -17.809 -11.767 29 H SER 8 HN SER 8 66.440 -14.631 -10.071 30 HA SER 8 HA SER 8 65.033 -12.663 -11.603 31 1HB SER 8 HB2 SER 8 62.882 -13.587 -11.656 32 2HB SER 8 HB1 SER 8 63.914 -14.946 -12.102 33 HG SER 8 HG SER 8 63.749 -15.712 -9.994 34 H ARG 9 HN ARG 9 66.645 -12.712 -9.233 35 HA ARG 9 HA ARG 9 64.842 -12.387 -6.983 36 1HB ARG 9 HB2 ARG 9 66.989 -13.362 -6.507 37 2HB ARG 9 HB1 ARG 9 67.832 -12.030 -7.282 38 1HG ARG 9 HG2 ARG 9 68.028 -11.810 -4.905 39 2HG ARG 9 HG1 ARG 9 66.995 -10.519 -5.515 40 1HD ARG 9 HD2 ARG 9 65.622 -11.145 -3.844 41 2HD ARG 9 HD1 ARG 9 65.155 -12.431 -4.959 42 HE ARG 9 HE ARG 9 66.245 -13.954 -3.627 43 1HH1 ARG 9 1HH1 ARG 9 67.112 -10.721 -2.635 44 2HH1 ARG 9 2HH1 ARG 9 67.898 -11.244 -1.183 45 1HH2 ARG 9 1HH2 ARG 9 67.277 -14.642 -1.718 46 2HH2 ARG 9 2HH2 ARG 9 67.996 -13.472 -0.664 47 H TYR 10 HN TYR 10 64.778 -10.421 -5.719 48 HA TYR 10 HA TYR 10 64.247 -8.151 -7.331 49 1HB TYR 10 HB2 TYR 10 64.010 -8.937 -4.495 50 2HB TYR 10 HB1 TYR 10 64.101 -7.219 -4.815 51 HD1 TYR 10 HD1 TYR 10 61.993 -6.225 -4.777 52 HD2 TYR 10 HD2 TYR 10 62.458 -10.102 -6.465 53 HE1 TYR 10 HE1 TYR 10 59.608 -6.247 -5.363 54 HE2 TYR 10 HE2 TYR 10 60.069 -10.134 -7.062 55 HH TYR 10 HH TYR 10 58.209 -7.639 -7.342 56 H LYS 11 HN LYS 11 65.084 -6.057 -5.733 57 HA LYS 11 HA LYS 11 67.569 -5.473 -6.802 58 1HB LYS 11 HB2 LYS 11 66.703 -3.981 -4.388 59 2HB LYS 11 HB1 LYS 11 67.292 -3.381 -5.932 60 1HG LYS 11 HG2 LYS 11 64.991 -4.367 -6.789 61 2HG LYS 11 HG1 LYS 11 64.539 -4.103 -5.095 62 1HD LYS 11 HD2 LYS 11 64.982 -1.783 -5.248 63 2HD LYS 11 HD1 LYS 11 65.826 -1.968 -6.786 64 1HE LYS 11 HE2 LYS 11 63.836 -1.240 -7.596 65 2HE LYS 11 HE1 LYS 11 63.455 -2.959 -7.498 66 1HZ LYS 11 HZ1 LYS 11 62.834 -2.045 -5.023 67 2HZ LYS 11 HZ2 LYS 11 61.728 -2.302 -6.276 68 3HZ LYS 11 HZ3 LYS 11 62.363 -0.756 -6.013 69 H THR 12 HN THR 12 68.988 -4.216 -4.818 70 HA THR 12 HA THR 12 69.852 -6.386 -3.030 71 HB THR 12 HB THR 12 71.350 -6.425 -4.925 72 HG1 THR 12 HG1 THR 12 72.605 -5.119 -2.743 73 1HG2 THR 12 1HG2 THR 12 72.171 -4.666 -6.005 74 2HG2 THR 12 2HG2 THR 12 72.603 -3.838 -4.509 75 3HG2 THR 12 3HG2 THR 12 70.959 -3.724 -5.138 76 H GLU 13 HN GLU 13 68.289 -4.060 -2.377 77 HA GLU 13 HA GLU 13 70.152 -2.711 -0.635 78 1HB GLU 13 HB2 GLU 13 68.360 -1.626 -2.622 79 2HB GLU 13 HB1 GLU 13 68.101 -0.926 -1.039 80 1HG GLU 13 HG2 GLU 13 70.006 0.231 -1.106 81 2HG GLU 13 HG1 GLU 13 70.901 -1.136 -1.769 82 H LEU 14 HN LEU 14 68.580 -1.294 1.000 83 HA LEU 14 HA LEU 14 66.267 -2.645 1.906 84 1HB LEU 14 HB2 LEU 14 67.324 -3.245 4.168 85 2HB LEU 14 HB1 LEU 14 67.509 -4.341 2.816 86 HG LEU 14 HG LEU 14 69.513 -3.735 4.430 87 1HD1 LEU 14 1HD1 LEU 14 69.334 -4.601 1.670 88 2HD1 LEU 14 2HD1 LEU 14 70.257 -5.258 3.016 89 3HD1 LEU 14 3HD1 LEU 14 70.899 -3.910 2.085 90 1HD2 LEU 14 1HD2 LEU 14 69.416 -1.320 3.992 91 2HD2 LEU 14 2HD2 LEU 14 69.809 -1.626 2.302 92 3HD2 LEU 14 3HD2 LEU 14 70.967 -2.028 3.559 93 H CYS 15 HN CYS 15 65.202 -1.609 3.569 94 HA CYS 15 HA CYS 15 65.718 1.143 3.837 95 1HB CYS 15 HB2 CYS 15 63.444 -0.014 3.849 96 2HB CYS 15 HB1 CYS 15 63.805 -0.546 5.485 97 H ARG 16 HN ARG 16 67.944 1.019 4.725 98 HA ARG 16 HA ARG 16 68.459 -0.179 7.223 99 1HB ARG 16 HB2 ARG 16 69.953 1.425 5.256 100 2HB ARG 16 HB1 ARG 16 70.422 1.715 6.927 101 1HG ARG 16 HG2 ARG 16 70.975 -0.550 7.297 102 2HG ARG 16 HG1 ARG 16 70.240 -1.045 5.772 103 1HD ARG 16 HD2 ARG 16 71.995 0.624 4.756 104 2HD ARG 16 HD1 ARG 16 72.834 0.337 6.281 105 HE ARG 16 HE ARG 16 72.680 -1.435 4.077 106 1HH1 ARG 16 1HH1 ARG 16 72.766 -1.371 7.563 107 2HH1 ARG 16 2HH1 ARG 16 73.388 -2.982 7.698 108 1HH2 ARG 16 1HH2 ARG 16 73.492 -3.548 4.252 109 2HH2 ARG 16 2HH2 ARG 16 73.802 -4.216 5.820 110 H THR 17 HN THR 17 69.357 3.174 6.943 111 HA THR 17 HA THR 17 68.304 3.754 9.527 112 HB THR 17 HB THR 17 70.459 4.677 8.724 113 HG1 THR 17 HG1 THR 17 68.576 6.732 9.227 114 1HG2 THR 17 1HG2 THR 17 70.643 6.349 7.112 115 2HG2 THR 17 2HG2 THR 17 68.899 6.603 7.047 116 3HG2 THR 17 3HG2 THR 17 69.603 5.132 6.375 117 H TYR 18 HN TYR 18 67.317 4.059 6.319 118 HA TYR 18 HA TYR 18 65.686 6.217 6.137 119 1HB TYR 18 HB2 TYR 18 65.676 3.451 5.003 120 2HB TYR 18 HB1 TYR 18 64.435 4.602 4.544 121 HD1 TYR 18 HD1 TYR 18 64.887 5.236 2.373 122 HD2 TYR 18 HD2 TYR 18 68.095 5.050 5.101 123 HE1 TYR 18 HE1 TYR 18 66.352 6.290 0.707 124 HE2 TYR 18 HE2 TYR 18 69.593 6.072 3.461 125 HH TYR 18 HH TYR 18 68.780 6.385 0.206 126 H SER 19 HN SER 19 64.868 2.999 7.422 127 HA SER 19 HA SER 19 62.161 3.331 7.744 128 1HB SER 19 HB2 SER 19 62.294 1.529 9.448 129 2HB SER 19 HB1 SER 19 63.192 1.149 7.979 130 HG SER 19 HG SER 19 64.581 0.692 9.591 131 H GLU 20 HN GLU 20 64.727 4.284 9.868 132 HA GLU 20 HA GLU 20 63.244 4.910 12.144 133 1HB GLU 20 HB2 GLU 20 65.910 5.340 11.209 134 2HB GLU 20 HB1 GLU 20 65.305 6.859 11.855 135 1HG GLU 20 HG2 GLU 20 65.357 6.130 13.966 136 2HG GLU 20 HG1 GLU 20 64.747 4.527 13.534 137 H SER 21 HN SER 21 64.109 6.891 9.369 138 HA SER 21 HA SER 21 61.893 8.259 8.825 139 1HB SER 21 HB2 SER 21 62.673 9.061 11.478 140 2HB SER 21 HB1 SER 21 62.811 10.440 10.395 141 HG SER 21 HG SER 21 60.674 10.174 9.812 142 H GLY 22 HN GLY 22 64.576 7.575 7.860 143 1HA GLY 22 HA2 GLY 22 66.031 9.945 7.400 144 2HA GLY 22 HA1 GLY 22 66.282 8.414 6.583 145 H ARG 23 HN ARG 23 65.366 8.059 4.651 146 HA ARG 23 HA ARG 23 63.996 10.335 3.387 147 1HB ARG 23 HB2 ARG 23 66.337 9.847 2.607 148 2HB ARG 23 HB1 ARG 23 65.747 8.310 2.021 149 1HG ARG 23 HG2 ARG 23 64.096 10.430 1.025 150 2HG ARG 23 HG1 ARG 23 65.792 10.744 0.654 151 1HD ARG 23 HD2 ARG 23 66.010 8.798 -0.603 152 2HD ARG 23 HD1 ARG 23 64.623 8.027 0.158 153 HE ARG 23 HE ARG 23 63.200 9.214 -1.260 154 1HH1 ARG 23 1HH1 ARG 23 66.539 10.101 -1.807 155 2HH1 ARG 23 2HH1 ARG 23 66.212 10.859 -3.328 156 1HH2 ARG 23 1HH2 ARG 23 62.779 10.224 -3.253 157 2HH2 ARG 23 2HH2 ARG 23 64.084 10.933 -4.146 158 H CYS 24 HN CYS 24 64.539 6.931 3.123 159 HA CYS 24 HA CYS 24 63.237 5.172 2.473 160 1HB CYS 24 HB2 CYS 24 61.237 7.055 3.541 161 2HB CYS 24 HB1 CYS 24 60.620 5.801 2.479 162 H ARG 25 HN ARG 25 64.247 5.622 0.418 163 HA ARG 25 HA ARG 25 63.408 7.251 -1.580 164 1HB ARG 25 HB2 ARG 25 65.440 6.000 -1.760 165 2HB ARG 25 HB1 ARG 25 64.570 4.489 -1.747 166 1HG ARG 25 HG2 ARG 25 65.098 4.714 -3.973 167 2HG ARG 25 HG1 ARG 25 63.465 5.390 -3.922 168 1HD ARG 25 HD2 ARG 25 64.188 7.515 -4.287 169 2HD ARG 25 HD1 ARG 25 65.718 7.253 -3.449 170 HE ARG 25 HE ARG 25 65.530 5.808 -5.915 171 1HH1 ARG 25 1HH1 ARG 25 66.306 8.897 -4.489 172 2HH1 ARG 25 2HH1 ARG 25 67.333 9.383 -5.796 173 1HH2 ARG 25 1HH2 ARG 25 66.882 6.446 -7.635 174 2HH2 ARG 25 2HH2 ARG 25 67.657 7.994 -7.584 175 H TYR 26 HN TYR 26 61.729 4.536 -0.422 176 HA TYR 26 HA TYR 26 59.560 4.983 -2.330 177 1HB TYR 26 HB2 TYR 26 60.609 2.247 -1.560 178 2HB TYR 26 HB1 TYR 26 59.167 2.550 -2.511 179 HD1 TYR 26 HD1 TYR 26 59.982 4.541 -4.417 180 HD2 TYR 26 HD2 TYR 26 62.166 1.212 -2.940 181 HE1 TYR 26 HE1 TYR 26 61.285 4.481 -6.503 182 HE2 TYR 26 HE2 TYR 26 63.485 1.146 -5.013 183 HH TYR 26 HH TYR 26 63.866 2.087 -6.995 184 H GLY 27 HN GLY 27 59.787 5.975 0.245 185 1HA GLY 27 HA2 GLY 27 58.979 4.675 2.442 186 2HA GLY 27 HA1 GLY 27 58.320 6.245 2.018 187 H ALA 28 HN ALA 28 57.455 3.398 3.090 188 HA ALA 28 HA ALA 28 55.363 2.552 3.443 189 1HB ALA 28 HB1 ALA 28 54.493 4.807 2.642 190 2HB ALA 28 HB2 ALA 28 53.415 3.420 2.487 191 3HB ALA 28 HB3 ALA 28 54.280 4.026 1.075 192 H LYS 29 HN LYS 29 56.618 2.740 0.214 193 HA LYS 29 HA LYS 29 55.616 0.084 -0.338 194 1HB LYS 29 HB2 LYS 29 54.905 2.051 -1.783 195 2HB LYS 29 HB1 LYS 29 56.570 2.092 -2.344 196 1HG LYS 29 HG2 LYS 29 56.394 0.090 -3.452 197 2HG LYS 29 HG1 LYS 29 55.029 -0.434 -2.464 198 1HD LYS 29 HD2 LYS 29 54.377 0.165 -4.780 199 2HD LYS 29 HD1 LYS 29 53.571 1.145 -3.553 200 1HE LYS 29 HE2 LYS 29 55.802 2.623 -4.037 201 2HE LYS 29 HE1 LYS 29 55.501 1.922 -5.627 202 1HZ LYS 29 HZ1 LYS 29 53.048 2.716 -4.953 203 2HZ LYS 29 HZ2 LYS 29 54.135 3.678 -5.822 204 3HZ LYS 29 HZ3 LYS 29 53.966 3.890 -4.153 205 H CYS 30 HN CYS 30 58.248 1.422 0.843 206 HA CYS 30 HA CYS 30 60.248 0.634 -0.981 207 1HB CYS 30 HB2 CYS 30 61.834 0.988 0.895 208 2HB CYS 30 HB1 CYS 30 60.787 2.368 0.528 209 H GLN 31 HN GLN 31 60.850 -1.269 -1.478 210 HA GLN 31 HA GLN 31 60.799 -3.442 0.471 211 1HB GLN 31 HB2 GLN 31 61.206 -4.657 -1.916 212 2HB GLN 31 HB1 GLN 31 59.611 -4.398 -1.219 213 1HG GLN 31 HG2 GLN 31 59.203 -2.542 -2.607 214 2HG GLN 31 HG1 GLN 31 60.898 -2.426 -3.083 215 1HE2 GLN 31 1HE2 GLN 31 61.634 -3.598 -4.756 216 2HE2 GLN 31 2HE2 GLN 31 60.646 -4.643 -5.728 217 H PHE 32 HN PHE 32 62.623 -1.384 -1.506 218 HA PHE 32 HA PHE 32 65.126 -2.289 -0.465 219 1HB PHE 32 HB2 PHE 32 64.598 -2.511 -3.434 220 2HB PHE 32 HB1 PHE 32 66.157 -2.737 -2.657 221 HD1 PHE 32 HD1 PHE 32 62.850 -4.197 -3.242 222 HD2 PHE 32 HD2 PHE 32 66.678 -4.743 -1.471 223 HE1 PHE 32 HE1 PHE 32 62.417 -6.614 -3.032 224 HE2 PHE 32 HE2 PHE 32 66.250 -7.149 -1.255 225 HZ PHE 32 HZ PHE 32 64.121 -8.094 -2.050 226 H ALA 33 HN ALA 33 66.676 -1.039 -2.536 227 HA ALA 33 HA ALA 33 67.639 1.004 -2.834 228 1HB ALA 33 HB1 ALA 33 64.868 1.757 -3.714 229 2HB ALA 33 HB2 ALA 33 65.947 0.726 -4.653 230 3HB ALA 33 HB3 ALA 33 66.403 2.393 -4.304 231 H HIS 34 HN HIS 34 68.265 2.001 -1.041 232 HA HIS 34 HA HIS 34 66.777 4.241 -0.066 233 1HB HIS 34 HB2 HIS 34 66.884 1.720 1.545 234 2HB HIS 34 HB1 HIS 34 67.095 3.255 2.383 235 HD1 HIS 34 HD1 HIS 34 64.491 3.482 -0.272 236 HD2 HIS 34 HD2 HIS 34 64.889 2.554 3.717 237 HE1 HIS 34 HE1 HIS 34 62.169 3.693 0.785 238 H GLY 35 HN GLY 35 68.669 2.909 2.442 239 1HA GLY 35 HA2 GLY 35 70.691 4.871 2.247 240 2HA GLY 35 HA1 GLY 35 70.632 3.506 3.385 241 H LEU 36 HN LEU 36 72.300 2.223 3.234 242 HA LEU 36 HA LEU 36 74.092 2.222 1.025 243 1HB LEU 36 HB2 LEU 36 74.960 1.812 3.206 244 2HB LEU 36 HB1 LEU 36 73.817 0.516 3.496 245 HG LEU 36 HG LEU 36 75.180 -0.388 1.296 246 1HD1 LEU 36 1HD1 LEU 36 77.352 0.555 3.098 247 2HD1 LEU 36 2HD1 LEU 36 76.728 1.646 1.859 248 3HD1 LEU 36 3HD1 LEU 36 77.416 0.089 1.398 249 1HD2 LEU 36 1HD2 LEU 36 75.817 -0.897 4.199 250 2HD2 LEU 36 2HD2 LEU 36 76.227 -1.950 2.846 251 3HD2 LEU 36 3HD2 LEU 36 74.537 -1.681 3.274 252 H GLY 37 HN GLY 37 72.456 -0.606 2.434 253 1HA GLY 37 HA2 GLY 37 71.511 -2.444 1.500 254 2HA GLY 37 HA1 GLY 37 70.994 -1.379 0.223 255 H GLU 38 HN GLU 38 73.326 -3.649 1.275 256 HA GLU 38 HA GLU 38 74.246 -3.988 -1.504 257 1HB GLU 38 HB2 GLU 38 76.084 -4.171 0.887 258 2HB GLU 38 HB1 GLU 38 76.527 -4.284 -0.811 259 1HG GLU 38 HG2 GLU 38 75.305 -1.839 -0.670 260 2HG GLU 38 HG1 GLU 38 76.146 -1.951 0.874 261 H LEU 39 HN LEU 39 72.230 -5.495 -0.425 262 HA LEU 39 HA LEU 39 72.961 -7.784 0.969 263 1HB LEU 39 HB2 LEU 39 70.869 -7.612 -1.182 264 2HB LEU 39 HB1 LEU 39 70.957 -8.823 0.086 265 HG LEU 39 HG LEU 39 70.864 -6.000 0.936 266 1HD1 LEU 39 1HD1 LEU 39 68.326 -6.138 0.815 267 2HD1 LEU 39 2HD1 LEU 39 68.563 -7.435 -0.355 268 3HD1 LEU 39 3HD1 LEU 39 69.180 -5.818 -0.695 269 1HD2 LEU 39 1HD2 LEU 39 69.341 -7.042 2.649 270 2HD2 LEU 39 2HD2 LEU 39 70.999 -7.643 2.641 271 3HD2 LEU 39 3HD2 LEU 39 69.710 -8.600 1.911 272 H ARG 40 HN ARG 40 73.711 -6.947 -2.237 273 HA ARG 40 HA ARG 40 75.039 -9.512 -2.621 274 1HB ARG 40 HB2 ARG 40 74.204 -9.837 -4.829 275 2HB ARG 40 HB1 ARG 40 72.827 -9.610 -3.760 276 1HG ARG 40 HG2 ARG 40 72.105 -8.066 -5.155 277 2HG ARG 40 HG1 ARG 40 73.463 -7.062 -4.645 278 1HD ARG 40 HD2 ARG 40 74.828 -8.249 -6.399 279 2HD ARG 40 HD1 ARG 40 73.316 -8.917 -7.000 280 HE ARG 40 HE ARG 40 73.947 -6.036 -6.915 281 1HH1 ARG 40 1HH1 ARG 40 72.316 -8.760 -8.388 282 2HH1 ARG 40 2HH1 ARG 40 71.619 -7.809 -9.654 283 1HH2 ARG 40 1HH2 ARG 40 73.019 -4.795 -8.578 284 2HH2 ARG 40 2HH2 ARG 40 72.019 -5.564 -9.764 285 H GLN 41 HN GLN 41 75.839 -6.713 -2.036 286 HA GLN 41 HA GLN 41 77.899 -6.544 -4.032 287 1HB GLN 41 HB2 GLN 41 76.080 -4.260 -3.302 288 2HB GLN 41 HB1 GLN 41 77.604 -4.054 -4.151 289 1HG GLN 41 HG2 GLN 41 75.873 -6.038 -5.388 290 2HG GLN 41 HG1 GLN 41 75.145 -4.434 -5.303 291 1HE2 GLN 41 1HE2 GLN 41 75.318 -4.692 -7.678 292 2HE2 GLN 41 2HE2 GLN 41 76.781 -4.184 -8.442 293 H ALA 42 HN ALA 42 77.351 -6.991 -0.971 294 HA ALA 42 HA ALA 42 79.062 -5.002 0.181 295 1HB ALA 42 HB1 ALA 42 78.510 -5.940 2.300 296 2HB ALA 42 HB2 ALA 42 77.865 -7.396 1.543 297 3HB ALA 42 HB3 ALA 42 77.030 -5.856 1.346 298 H ASN 43 HN ASN 43 80.332 -6.632 -1.772 299 HA ASN 43 HA ASN 43 82.655 -7.386 -0.350 300 1HB ASN 43 HB2 ASN 43 80.784 -9.358 -0.216 301 2HB ASN 43 HB1 ASN 43 81.638 -9.814 -1.688 302 1HD2 ASN 43 1HD2 ASN 43 82.262 -11.701 -0.469 303 2HD2 ASN 43 2HD2 ASN 43 83.619 -11.615 0.598 Start of MODEL 20 1 H MET 4 HT1 MET 4 67.845 -8.383 -16.736 2 HA MET 4 HA MET 4 69.504 -10.105 -17.693 3 1HB MET 4 HB2 MET 4 70.827 -7.416 -17.959 4 2HB MET 4 HB1 MET 4 71.780 -8.863 -17.663 5 1HG MET 4 HG2 MET 4 71.112 -9.832 -19.710 6 2HG MET 4 HG1 MET 4 69.863 -8.614 -19.958 7 1HE MET 4 HE1 MET 4 71.408 -7.847 -22.782 8 2HE MET 4 HE2 MET 4 71.118 -6.257 -22.073 9 3HE MET 4 HE3 MET 4 70.013 -7.589 -21.736 10 H THR 5 HN THR 5 71.680 -10.211 -16.230 11 HA THR 5 HA THR 5 72.593 -10.317 -14.146 12 HB THR 5 HB THR 5 70.518 -8.385 -13.143 13 HG1 THR 5 HG1 THR 5 72.700 -7.081 -13.881 14 1HG2 THR 5 1HG2 THR 5 73.430 -8.594 -12.440 15 2HG2 THR 5 2HG2 THR 5 72.150 -9.425 -11.556 16 3HG2 THR 5 3HG2 THR 5 72.177 -7.662 -11.620 17 H THR 6 HN THR 6 69.095 -9.823 -13.601 18 HA THR 6 HA THR 6 69.018 -12.492 -12.365 19 HB THR 6 HB THR 6 67.469 -11.629 -10.649 20 HG1 THR 6 HG1 THR 6 66.563 -9.823 -11.293 21 1HG2 THR 6 1HG2 THR 6 69.684 -9.734 -10.317 22 2HG2 THR 6 2HG2 THR 6 70.144 -11.421 -10.549 23 3HG2 THR 6 3HG2 THR 6 69.066 -10.974 -9.225 24 H SER 7 HN SER 7 66.970 -9.821 -13.531 25 HA SER 7 HA SER 7 65.048 -9.789 -14.741 26 1HB SER 7 HB2 SER 7 66.658 -11.210 -16.219 27 2HB SER 7 HB1 SER 7 65.627 -12.558 -15.738 28 HG SER 7 HG SER 7 63.926 -11.633 -16.747 29 H SER 8 HN SER 8 65.114 -11.125 -12.025 30 HA SER 8 HA SER 8 62.421 -12.152 -12.151 31 1HB SER 8 HB2 SER 8 64.659 -13.941 -12.065 32 2HB SER 8 HB1 SER 8 63.765 -14.062 -10.550 33 HG SER 8 HG SER 8 63.082 -14.918 -13.036 34 H ARG 9 HN ARG 9 65.154 -12.273 -9.852 35 HA ARG 9 HA ARG 9 63.483 -11.610 -7.639 36 1HB ARG 9 HB2 ARG 9 65.519 -12.969 -7.380 37 2HB ARG 9 HB1 ARG 9 66.502 -11.596 -7.861 38 1HG ARG 9 HG2 ARG 9 66.527 -11.927 -5.444 39 2HG ARG 9 HG1 ARG 9 65.809 -10.373 -5.876 40 1HD ARG 9 HD2 ARG 9 64.051 -10.932 -4.631 41 2HD ARG 9 HD1 ARG 9 63.675 -12.170 -5.825 42 HE ARG 9 HE ARG 9 64.680 -13.783 -4.444 43 1HH1 ARG 9 1HH1 ARG 9 64.757 -10.600 -2.991 44 2HH1 ARG 9 2HH1 ARG 9 65.012 -11.209 -1.392 45 1HH2 ARG 9 1HH2 ARG 9 64.998 -14.568 -2.341 46 2HH2 ARG 9 2HH2 ARG 9 65.144 -13.455 -1.022 47 H TYR 10 HN TYR 10 63.765 -9.762 -6.250 48 HA TYR 10 HA TYR 10 63.641 -7.324 -7.717 49 1HB TYR 10 HB2 TYR 10 63.166 -8.259 -4.953 50 2HB TYR 10 HB1 TYR 10 63.570 -6.564 -5.136 51 HD1 TYR 10 HD1 TYR 10 61.685 -5.218 -5.076 52 HD2 TYR 10 HD2 TYR 10 61.497 -8.985 -7.033 53 HE1 TYR 10 HE1 TYR 10 59.361 -4.749 -5.726 54 HE2 TYR 10 HE2 TYR 10 59.163 -8.533 -7.692 55 HH TYR 10 HH TYR 10 57.797 -5.627 -7.738 56 H LYS 11 HN LYS 11 64.756 -5.513 -5.958 57 HA LYS 11 HA LYS 11 67.401 -5.414 -6.845 58 1HB LYS 11 HB2 LYS 11 66.537 -3.793 -4.504 59 2HB LYS 11 HB1 LYS 11 67.516 -3.325 -5.884 60 1HG LYS 11 HG2 LYS 11 65.417 -3.482 -7.275 61 2HG LYS 11 HG1 LYS 11 64.532 -3.633 -5.750 62 1HD LYS 11 HD2 LYS 11 65.419 -1.489 -5.006 63 2HD LYS 11 HD1 LYS 11 66.346 -1.340 -6.501 64 1HE LYS 11 HE2 LYS 11 63.444 -1.814 -6.787 65 2HE LYS 11 HE1 LYS 11 63.925 -0.247 -6.147 66 1HZ LYS 11 HZ1 LYS 11 65.157 -1.332 -8.596 67 2HZ LYS 11 HZ2 LYS 11 65.079 0.276 -8.076 68 3HZ LYS 11 HZ3 LYS 11 63.689 -0.494 -8.657 69 H THR 12 HN THR 12 68.851 -4.474 -4.732 70 HA THR 12 HA THR 12 69.098 -6.791 -2.921 71 HB THR 12 HB THR 12 70.798 -7.005 -4.573 72 HG1 THR 12 HG1 THR 12 72.475 -5.898 -2.730 73 1HG2 THR 12 1HG2 THR 12 70.876 -4.145 -4.496 74 2HG2 THR 12 2HG2 THR 12 71.555 -5.257 -5.684 75 3HG2 THR 12 3HG2 THR 12 72.492 -4.812 -4.258 76 H GLU 13 HN GLU 13 68.349 -3.632 -2.931 77 HA GLU 13 HA GLU 13 70.068 -2.815 -0.812 78 1HB GLU 13 HB2 GLU 13 68.273 -1.517 -2.686 79 2HB GLU 13 HB1 GLU 13 68.229 -0.819 -1.077 80 1HG GLU 13 HG2 GLU 13 70.365 -0.052 -1.201 81 2HG GLU 13 HG1 GLU 13 70.892 -1.348 -2.275 82 H LEU 14 HN LEU 14 68.656 -1.352 0.924 83 HA LEU 14 HA LEU 14 66.341 -2.737 1.908 84 1HB LEU 14 HB2 LEU 14 67.458 -3.184 4.159 85 2HB LEU 14 HB1 LEU 14 67.733 -4.314 2.849 86 HG LEU 14 HG LEU 14 69.672 -3.523 4.440 87 1HD1 LEU 14 1HD1 LEU 14 69.758 -4.111 1.531 88 2HD1 LEU 14 2HD1 LEU 14 70.228 -5.111 2.903 89 3HD1 LEU 14 3HD1 LEU 14 71.244 -3.757 2.410 90 1HD2 LEU 14 1HD2 LEU 14 69.537 -1.305 2.430 91 2HD2 LEU 14 2HD2 LEU 14 71.020 -1.749 3.250 92 3HD2 LEU 14 3HD2 LEU 14 69.629 -1.199 4.175 93 H CYS 15 HN CYS 15 65.263 -1.723 3.599 94 HA CYS 15 HA CYS 15 65.687 1.059 3.825 95 1HB CYS 15 HB2 CYS 15 63.431 -0.118 3.849 96 2HB CYS 15 HB1 CYS 15 63.810 -0.629 5.492 97 H ARG 16 HN ARG 16 67.793 1.254 4.770 98 HA ARG 16 HA ARG 16 68.345 -0.002 7.262 99 1HB ARG 16 HB2 ARG 16 69.814 1.682 5.302 100 2HB ARG 16 HB1 ARG 16 70.346 1.780 6.977 101 1HG ARG 16 HG2 ARG 16 69.933 -0.884 5.713 102 2HG ARG 16 HG1 ARG 16 71.419 0.021 5.440 103 1HD ARG 16 HD2 ARG 16 70.644 -0.039 8.231 104 2HD ARG 16 HD1 ARG 16 70.878 -1.653 7.565 105 HE ARG 16 HE ARG 16 72.914 0.481 7.571 106 1HH1 ARG 16 1HH1 ARG 16 72.048 -2.912 7.539 107 2HH1 ARG 16 2HH1 ARG 16 73.684 -3.451 7.695 108 1HH2 ARG 16 1HH2 ARG 16 75.056 -0.239 7.779 109 2HH2 ARG 16 2HH2 ARG 16 75.388 -1.937 7.828 110 H THR 17 HN THR 17 69.363 3.296 6.998 111 HA THR 17 HA THR 17 68.279 3.968 9.522 112 HB THR 17 HB THR 17 70.417 4.892 8.687 113 HG1 THR 17 HG1 THR 17 70.039 6.476 9.979 114 1HG2 THR 17 1HG2 THR 17 70.324 5.478 6.495 115 2HG2 THR 17 2HG2 THR 17 70.014 7.048 7.234 116 3HG2 THR 17 3HG2 THR 17 68.676 6.091 6.611 117 H TYR 18 HN TYR 18 67.242 4.204 6.307 118 HA TYR 18 HA TYR 18 65.562 6.328 6.147 119 1HB TYR 18 HB2 TYR 18 65.529 3.548 5.025 120 2HB TYR 18 HB1 TYR 18 64.319 4.730 4.564 121 HD1 TYR 18 HD1 TYR 18 64.860 5.058 2.303 122 HD2 TYR 18 HD2 TYR 18 67.919 5.398 5.212 123 HE1 TYR 18 HE1 TYR 18 66.334 6.071 0.628 124 HE2 TYR 18 HE2 TYR 18 69.418 6.365 3.541 125 HH TYR 18 HH TYR 18 69.057 7.715 1.321 126 H SER 19 HN SER 19 64.725 3.044 7.306 127 HA SER 19 HA SER 19 62.054 3.472 7.807 128 1HB SER 19 HB2 SER 19 62.158 1.540 9.324 129 2HB SER 19 HB1 SER 19 63.066 1.235 7.848 130 HG SER 19 HG SER 19 64.759 2.327 9.531 131 H GLU 20 HN GLU 20 64.772 4.435 9.652 132 HA GLU 20 HA GLU 20 63.381 4.939 12.087 133 1HB GLU 20 HB2 GLU 20 66.061 4.898 11.234 134 2HB GLU 20 HB1 GLU 20 65.763 6.539 11.799 135 1HG GLU 20 HG2 GLU 20 65.050 5.733 13.937 136 2HG GLU 20 HG1 GLU 20 65.144 4.059 13.379 137 H SER 21 HN SER 21 64.346 6.852 9.318 138 HA SER 21 HA SER 21 62.334 8.626 9.128 139 1HB SER 21 HB2 SER 21 62.592 9.354 11.431 140 2HB SER 21 HB1 SER 21 64.302 9.694 11.167 141 HG SER 21 HG SER 21 63.642 11.309 9.664 142 H GLY 22 HN GLY 22 65.159 7.543 8.139 143 1HA GLY 22 HA2 GLY 22 66.690 9.655 7.262 144 2HA GLY 22 HA1 GLY 22 66.606 8.096 6.465 145 H ARG 23 HN ARG 23 65.176 7.814 4.793 146 HA ARG 23 HA ARG 23 63.962 10.218 3.633 147 1HB ARG 23 HB2 ARG 23 66.182 9.891 2.641 148 2HB ARG 23 HB1 ARG 23 65.725 8.272 2.179 149 1HG ARG 23 HG2 ARG 23 63.771 9.980 1.107 150 2HG ARG 23 HG1 ARG 23 65.341 10.708 0.762 151 1HD ARG 23 HD2 ARG 23 66.074 8.420 -0.056 152 2HD ARG 23 HD1 ARG 23 64.379 7.950 0.021 153 HE ARG 23 HE ARG 23 65.622 9.607 -1.958 154 1HH1 ARG 23 1HH1 ARG 23 62.620 8.872 -0.341 155 2HH1 ARG 23 2HH1 ARG 23 61.632 9.439 -1.645 156 1HH2 ARG 23 1HH2 ARG 23 64.330 10.368 -3.668 157 2HH2 ARG 23 2HH2 ARG 23 62.605 10.308 -3.529 158 H CYS 24 HN CYS 24 64.499 6.889 2.979 159 HA CYS 24 HA CYS 24 63.188 5.112 2.489 160 1HB CYS 24 HB2 CYS 24 61.182 6.971 3.559 161 2HB CYS 24 HB1 CYS 24 60.561 5.740 2.468 162 H ARG 25 HN ARG 25 64.207 5.506 0.461 163 HA ARG 25 HA ARG 25 63.392 7.110 -1.584 164 1HB ARG 25 HB2 ARG 25 65.453 5.853 -1.633 165 2HB ARG 25 HB1 ARG 25 64.570 4.351 -1.730 166 1HG ARG 25 HG2 ARG 25 65.402 4.836 -3.898 167 2HG ARG 25 HG1 ARG 25 63.654 5.118 -3.929 168 1HD ARG 25 HD2 ARG 25 64.609 6.957 -5.051 169 2HD ARG 25 HD1 ARG 25 64.188 7.550 -3.446 170 HE ARG 25 HE ARG 25 66.798 6.729 -3.249 171 1HH1 ARG 25 1HH1 ARG 25 65.046 9.003 -5.232 172 2HH1 ARG 25 2HH1 ARG 25 66.395 10.070 -5.424 173 1HH2 ARG 25 1HH2 ARG 25 68.590 8.125 -3.527 174 2HH2 ARG 25 2HH2 ARG 25 68.401 9.580 -4.448 175 H TYR 26 HN TYR 26 61.642 4.498 -0.357 176 HA TYR 26 HA TYR 26 59.589 4.839 -2.390 177 1HB TYR 26 HB2 TYR 26 60.733 2.165 -1.546 178 2HB TYR 26 HB1 TYR 26 59.212 2.345 -2.417 179 HD1 TYR 26 HD1 TYR 26 59.906 4.436 -4.358 180 HD2 TYR 26 HD2 TYR 26 62.141 1.078 -3.042 181 HE1 TYR 26 HE1 TYR 26 61.103 4.404 -6.504 182 HE2 TYR 26 HE2 TYR 26 63.352 1.041 -5.176 183 HH TYR 26 HH TYR 26 62.364 2.842 -7.886 184 H GLY 27 HN GLY 27 59.545 6.005 0.024 185 1HA GLY 27 HA2 GLY 27 58.710 4.871 2.309 186 2HA GLY 27 HA1 GLY 27 57.972 6.338 1.691 187 H ALA 28 HN ALA 28 57.233 3.550 3.002 188 HA ALA 28 HA ALA 28 55.289 2.429 3.280 189 1HB ALA 28 HB1 ALA 28 54.063 4.468 2.913 190 2HB ALA 28 HB2 ALA 28 53.241 3.133 2.106 191 3HB ALA 28 HB3 ALA 28 54.202 4.272 1.166 192 H LYS 29 HN LYS 29 56.841 2.639 0.269 193 HA LYS 29 HA LYS 29 55.785 0.062 -0.509 194 1HB LYS 29 HB2 LYS 29 55.171 2.218 -1.855 195 2HB LYS 29 HB1 LYS 29 56.777 1.989 -2.531 196 1HG LYS 29 HG2 LYS 29 56.043 0.417 -3.866 197 2HG LYS 29 HG1 LYS 29 55.420 -0.495 -2.497 198 1HD LYS 29 HD2 LYS 29 53.919 1.816 -3.694 199 2HD LYS 29 HD1 LYS 29 53.735 0.166 -4.295 200 1HE LYS 29 HE2 LYS 29 53.533 0.256 -1.415 201 2HE LYS 29 HE1 LYS 29 52.377 1.357 -2.163 202 1HZ LYS 29 HZ1 LYS 29 51.834 -1.174 -1.779 203 2HZ LYS 29 HZ2 LYS 29 52.597 -1.337 -3.277 204 3HZ LYS 29 HZ3 LYS 29 51.243 -0.338 -3.128 205 H CYS 30 HN CYS 30 58.327 1.132 0.913 206 HA CYS 30 HA CYS 30 60.375 0.482 -0.997 207 1HB CYS 30 HB2 CYS 30 61.946 0.918 0.846 208 2HB CYS 30 HB1 CYS 30 60.833 2.254 0.508 209 H GLN 31 HN GLN 31 60.970 -1.426 -1.460 210 HA GLN 31 HA GLN 31 61.044 -3.521 0.559 211 1HB GLN 31 HB2 GLN 31 61.319 -4.823 -1.800 212 2HB GLN 31 HB1 GLN 31 59.787 -4.601 -0.972 213 1HG GLN 31 HG2 GLN 31 59.843 -2.352 -2.436 214 2HG GLN 31 HG1 GLN 31 60.795 -3.411 -3.470 215 1HE2 GLN 31 1HE2 GLN 31 59.551 -5.832 -2.993 216 2HE2 GLN 31 2HE2 GLN 31 57.934 -5.769 -3.623 217 H PHE 32 HN PHE 32 62.718 -1.489 -1.562 218 HA PHE 32 HA PHE 32 65.278 -2.356 -0.652 219 1HB PHE 32 HB2 PHE 32 64.620 -2.615 -3.587 220 2HB PHE 32 HB1 PHE 32 66.216 -2.800 -2.876 221 HD1 PHE 32 HD1 PHE 32 62.944 -4.333 -3.348 222 HD2 PHE 32 HD2 PHE 32 66.813 -4.777 -1.645 223 HE1 PHE 32 HE1 PHE 32 62.570 -6.760 -3.119 224 HE2 PHE 32 HE2 PHE 32 66.446 -7.189 -1.396 225 HZ PHE 32 HZ PHE 32 64.324 -8.190 -2.143 226 H ALA 33 HN ALA 33 66.731 -1.082 -2.814 227 HA ALA 33 HA ALA 33 67.632 1.012 -3.141 228 1HB ALA 33 HB1 ALA 33 66.068 2.533 -4.321 229 2HB ALA 33 HB2 ALA 33 64.749 1.439 -3.905 230 3HB ALA 33 HB3 ALA 33 66.052 0.887 -4.955 231 H HIS 34 HN HIS 34 68.296 1.850 -1.202 232 HA HIS 34 HA HIS 34 66.767 4.003 -0.063 233 1HB HIS 34 HB2 HIS 34 66.629 1.296 1.055 234 2HB HIS 34 HB1 HIS 34 67.121 2.493 2.229 235 HD1 HIS 34 HD1 HIS 34 64.403 3.143 -0.364 236 HD2 HIS 34 HD2 HIS 34 64.996 2.562 3.672 237 HE1 HIS 34 HE1 HIS 34 62.191 3.654 0.792 238 H GLY 35 HN GLY 35 68.314 3.436 2.624 239 1HA GLY 35 HA2 GLY 35 70.558 5.016 2.195 240 2HA GLY 35 HA1 GLY 35 70.297 3.937 3.582 241 H LEU 36 HN LEU 36 71.127 1.922 3.595 242 HA LEU 36 HA LEU 36 73.475 1.513 1.978 243 1HB LEU 36 HB2 LEU 36 72.797 0.851 4.517 244 2HB LEU 36 HB1 LEU 36 72.434 -0.658 3.706 245 HG LEU 36 HG LEU 36 74.988 0.152 2.810 246 1HD1 LEU 36 1HD1 LEU 36 75.932 1.249 4.491 247 2HD1 LEU 36 2HD1 LEU 36 75.673 -0.157 5.520 248 3HD1 LEU 36 3HD1 LEU 36 74.460 1.119 5.452 249 1HD2 LEU 36 1HD2 LEU 36 73.850 -2.044 4.488 250 2HD2 LEU 36 2HD2 LEU 36 75.600 -1.891 4.322 251 3HD2 LEU 36 3HD2 LEU 36 74.597 -2.120 2.892 252 H GLY 37 HN GLY 37 73.106 -1.451 1.901 253 1HA GLY 37 HA2 GLY 37 71.107 -2.681 0.867 254 2HA GLY 37 HA1 GLY 37 71.298 -1.468 -0.361 255 H GLU 38 HN GLU 38 74.343 -2.095 0.620 256 HA GLU 38 HA GLU 38 74.899 -3.517 -1.767 257 1HB GLU 38 HB2 GLU 38 76.864 -3.292 0.489 258 2HB GLU 38 HB1 GLU 38 77.156 -3.249 -1.245 259 1HG GLU 38 HG2 GLU 38 75.837 -1.053 -1.217 260 2HG GLU 38 HG1 GLU 38 76.079 -1.089 0.528 261 H LEU 39 HN LEU 39 73.073 -5.011 -0.076 262 HA LEU 39 HA LEU 39 74.116 -7.038 1.436 263 1HB LEU 39 HB2 LEU 39 71.840 -7.077 -0.505 264 2HB LEU 39 HB1 LEU 39 72.251 -8.474 0.468 265 HG LEU 39 HG LEU 39 71.649 -5.811 1.703 266 1HD1 LEU 39 1HD1 LEU 39 69.491 -7.698 1.927 267 2HD1 LEU 39 2HD1 LEU 39 69.837 -7.371 0.231 268 3HD1 LEU 39 3HD1 LEU 39 69.461 -6.043 1.324 269 1HD2 LEU 39 1HD2 LEU 39 71.890 -6.852 3.656 270 2HD2 LEU 39 2HD2 LEU 39 72.659 -8.151 2.745 271 3HD2 LEU 39 3HD2 LEU 39 70.940 -8.240 3.127 272 H ARG 40 HN ARG 40 73.242 -7.504 -1.903 273 HA ARG 40 HA ARG 40 74.897 -9.806 -2.242 274 1HB ARG 40 HB2 ARG 40 73.988 -9.926 -4.443 275 2HB ARG 40 HB1 ARG 40 72.691 -9.431 -3.357 276 1HG ARG 40 HG2 ARG 40 72.301 -7.823 -4.819 277 2HG ARG 40 HG1 ARG 40 73.740 -7.039 -4.167 278 1HD ARG 40 HD2 ARG 40 74.150 -7.056 -6.447 279 2HD ARG 40 HD1 ARG 40 75.002 -8.494 -5.888 280 HE ARG 40 HE ARG 40 72.969 -9.750 -6.613 281 1HH1 ARG 40 1HH1 ARG 40 73.812 -6.709 -8.129 282 2HH1 ARG 40 2HH1 ARG 40 72.951 -7.068 -9.585 283 1HH2 ARG 40 1HH2 ARG 40 71.839 -10.196 -8.527 284 2HH2 ARG 40 2HH2 ARG 40 71.817 -9.022 -9.798 285 H GLN 41 HN GLN 41 76.188 -7.089 -1.743 286 HA GLN 41 HA GLN 41 78.317 -7.387 -3.623 287 1HB GLN 41 HB2 GLN 41 76.783 -4.798 -3.312 288 2HB GLN 41 HB1 GLN 41 78.353 -4.920 -4.095 289 1HG GLN 41 HG2 GLN 41 77.505 -5.864 -5.970 290 2HG GLN 41 HG1 GLN 41 76.214 -6.693 -5.104 291 1HE2 GLN 41 1HE2 GLN 41 77.227 -3.326 -5.613 292 2HE2 GLN 41 2HE2 GLN 41 75.659 -2.740 -6.041 293 H ALA 42 HN ALA 42 79.306 -8.120 -1.603 294 HA ALA 42 HA ALA 42 79.551 -6.794 0.757 295 1HB ALA 42 HB1 ALA 42 80.948 -8.875 -0.540 296 2HB ALA 42 HB2 ALA 42 80.938 -8.468 1.177 297 3HB ALA 42 HB3 ALA 42 82.151 -7.760 0.109 298 H ASN 43 HN ASN 43 80.891 -5.228 1.649 299 HA ASN 43 HA ASN 43 81.633 -3.108 -0.128 300 1HB ASN 43 HB2 ASN 43 82.352 -1.955 1.966 301 2HB ASN 43 HB1 ASN 43 80.693 -2.546 2.024 302 1HD2 ASN 43 1HD2 ASN 43 80.680 -2.584 4.268 303 2HD2 ASN 43 2HD2 ASN 43 81.543 -3.775 5.176 Start of MODEL 21 1 H MET 4 HT1 MET 4 64.489 -21.703 -11.302 2 HA MET 4 HA MET 4 61.987 -21.969 -12.799 3 1HB MET 4 HB2 MET 4 63.950 -23.953 -12.508 4 2HB MET 4 HB1 MET 4 62.755 -24.309 -11.268 5 1HG MET 4 HG2 MET 4 61.419 -23.694 -13.715 6 2HG MET 4 HG1 MET 4 62.658 -24.910 -14.016 7 1HE MET 4 HE1 MET 4 62.334 -27.028 -14.008 8 2HE MET 4 HE2 MET 4 61.075 -28.006 -13.253 9 3HE MET 4 HE3 MET 4 62.493 -27.520 -12.323 10 H THR 5 HN THR 5 62.874 -20.214 -10.618 11 HA THR 5 HA THR 5 60.769 -20.830 -8.755 12 HB THR 5 HB THR 5 62.626 -20.450 -6.851 13 HG1 THR 5 HG1 THR 5 64.452 -21.717 -7.415 14 1HG2 THR 5 1HG2 THR 5 62.609 -22.781 -6.377 15 2HG2 THR 5 2HG2 THR 5 62.169 -23.172 -8.040 16 3HG2 THR 5 3HG2 THR 5 61.019 -22.338 -6.993 17 H THR 6 HN THR 6 63.776 -18.906 -8.622 18 HA THR 6 HA THR 6 62.209 -16.566 -7.880 19 HB THR 6 HB THR 6 64.433 -15.507 -7.514 20 HG1 THR 6 HG1 THR 6 66.262 -16.874 -7.651 21 1HG2 THR 6 1HG2 THR 6 64.924 -16.544 -5.526 22 2HG2 THR 6 2HG2 THR 6 64.566 -18.154 -6.154 23 3HG2 THR 6 3HG2 THR 6 63.249 -17.038 -5.791 24 H SER 7 HN SER 7 61.187 -15.886 -9.732 25 HA SER 7 HA SER 7 62.783 -15.391 -12.131 26 1HB SER 7 HB2 SER 7 60.209 -16.303 -11.808 27 2HB SER 7 HB1 SER 7 59.953 -14.599 -12.185 28 HG SER 7 HG SER 7 60.568 -16.568 -13.849 29 H SER 8 HN SER 8 63.799 -13.508 -12.267 30 HA SER 8 HA SER 8 64.277 -11.292 -12.133 31 1HB SER 8 HB2 SER 8 61.266 -11.210 -12.256 32 2HB SER 8 HB1 SER 8 62.228 -9.735 -12.153 33 HG SER 8 HG SER 8 63.149 -10.197 -14.099 34 H ARG 9 HN ARG 9 65.290 -11.388 -10.138 35 HA ARG 9 HA ARG 9 63.806 -11.137 -7.686 36 1HB ARG 9 HB2 ARG 9 65.880 -12.380 -7.683 37 2HB ARG 9 HB1 ARG 9 66.763 -10.999 -8.315 38 1HG ARG 9 HG2 ARG 9 67.343 -10.876 -6.124 39 2HG ARG 9 HG1 ARG 9 65.904 -9.864 -6.099 40 1HD ARG 9 HD2 ARG 9 65.826 -11.388 -4.239 41 2HD ARG 9 HD1 ARG 9 64.579 -11.834 -5.403 42 HE ARG 9 HE ARG 9 65.611 -13.849 -5.636 43 1HH1 ARG 9 1HH1 ARG 9 67.940 -11.572 -4.380 44 2HH1 ARG 9 2HH1 ARG 9 69.207 -12.746 -4.257 45 1HH2 ARG 9 1HH2 ARG 9 67.277 -15.394 -5.479 46 2HH2 ARG 9 2HH2 ARG 9 68.832 -14.916 -4.881 47 H TYR 10 HN TYR 10 64.002 -9.394 -6.210 48 HA TYR 10 HA TYR 10 63.561 -6.879 -7.415 49 1HB TYR 10 HB2 TYR 10 63.481 -8.075 -4.734 50 2HB TYR 10 HB1 TYR 10 63.798 -6.349 -4.770 51 HD1 TYR 10 HD1 TYR 10 61.864 -5.106 -4.389 52 HD2 TYR 10 HD2 TYR 10 61.665 -8.662 -6.727 53 HE1 TYR 10 HE1 TYR 10 59.491 -4.665 -4.828 54 HE2 TYR 10 HE2 TYR 10 59.269 -8.237 -7.164 55 HH TYR 10 HH TYR 10 57.673 -6.475 -7.152 56 H LYS 11 HN LYS 11 64.826 -5.168 -5.548 57 HA LYS 11 HA LYS 11 67.271 -4.786 -6.887 58 1HB LYS 11 HB2 LYS 11 66.664 -3.307 -4.378 59 2HB LYS 11 HB1 LYS 11 67.369 -2.719 -5.875 60 1HG LYS 11 HG2 LYS 11 64.598 -3.625 -6.163 61 2HG LYS 11 HG1 LYS 11 64.805 -2.270 -5.044 62 1HD LYS 11 HD2 LYS 11 65.189 -0.849 -6.713 63 2HD LYS 11 HD1 LYS 11 66.338 -1.943 -7.486 64 1HE LYS 11 HE2 LYS 11 64.772 -2.832 -8.863 65 2HE LYS 11 HE1 LYS 11 63.493 -2.705 -7.656 66 1HZ LYS 11 HZ1 LYS 11 63.371 -0.323 -8.104 67 2HZ LYS 11 HZ2 LYS 11 63.084 -1.224 -9.508 68 3HZ LYS 11 HZ3 LYS 11 64.579 -0.468 -9.281 69 H THR 12 HN THR 12 68.951 -3.835 -4.891 70 HA THR 12 HA THR 12 69.559 -6.259 -3.328 71 HB THR 12 HB THR 12 71.060 -6.333 -5.177 72 HG1 THR 12 HG1 THR 12 72.057 -6.811 -3.255 73 1HG2 THR 12 1HG2 THR 12 71.686 -4.526 -6.284 74 2HG2 THR 12 2HG2 THR 12 72.716 -4.091 -4.920 75 3HG2 THR 12 3HG2 THR 12 71.066 -3.477 -5.009 76 H GLU 13 HN GLU 13 68.308 -3.743 -2.478 77 HA GLU 13 HA GLU 13 70.285 -2.909 -0.539 78 1HB GLU 13 HB2 GLU 13 68.747 -1.340 -2.406 79 2HB GLU 13 HB1 GLU 13 68.539 -0.816 -0.753 80 1HG GLU 13 HG2 GLU 13 70.728 -0.185 -0.514 81 2HG GLU 13 HG1 GLU 13 71.284 -1.325 -1.735 82 H LEU 14 HN LEU 14 68.733 -1.310 1.084 83 HA LEU 14 HA LEU 14 66.339 -2.609 1.937 84 1HB LEU 14 HB2 LEU 14 67.453 -3.064 4.270 85 2HB LEU 14 HB1 LEU 14 67.464 -4.267 2.997 86 HG LEU 14 HG LEU 14 69.633 -3.806 4.368 87 1HD1 LEU 14 1HD1 LEU 14 70.701 -4.955 2.778 88 2HD1 LEU 14 2HD1 LEU 14 70.304 -3.786 1.516 89 3HD1 LEU 14 3HD1 LEU 14 69.116 -4.991 2.008 90 1HD2 LEU 14 1HD2 LEU 14 70.042 -1.726 2.252 91 2HD2 LEU 14 2HD2 LEU 14 71.046 -2.091 3.647 92 3HD2 LEU 14 3HD2 LEU 14 69.477 -1.312 3.867 93 H CYS 15 HN CYS 15 65.351 -1.619 3.747 94 HA CYS 15 HA CYS 15 65.780 1.159 3.885 95 1HB CYS 15 HB2 CYS 15 63.544 -0.041 4.019 96 2HB CYS 15 HB1 CYS 15 63.978 -0.515 5.656 97 H ARG 16 HN ARG 16 68.030 1.164 4.697 98 HA ARG 16 HA ARG 16 68.688 0.087 7.210 99 1HB ARG 16 HB2 ARG 16 70.007 1.805 5.158 100 2HB ARG 16 HB1 ARG 16 70.629 1.896 6.798 101 1HG ARG 16 HG2 ARG 16 70.244 -0.740 5.451 102 2HG ARG 16 HG1 ARG 16 71.705 0.221 5.214 103 1HD ARG 16 HD2 ARG 16 70.815 -0.162 7.995 104 2HD ARG 16 HD1 ARG 16 71.423 -1.596 7.173 105 HE ARG 16 HE ARG 16 73.434 -0.113 6.668 106 1HH1 ARG 16 1HH1 ARG 16 71.518 0.166 9.582 107 2HH1 ARG 16 2HH1 ARG 16 72.817 0.834 10.509 108 1HH2 ARG 16 1HH2 ARG 16 75.128 0.751 7.895 109 2HH2 ARG 16 2HH2 ARG 16 74.863 1.163 9.556 110 H THR 17 HN THR 17 69.629 3.374 6.836 111 HA THR 17 HA THR 17 68.663 4.096 9.397 112 HB THR 17 HB THR 17 70.724 5.067 8.545 113 HG1 THR 17 HG1 THR 17 70.321 7.135 9.169 114 1HG2 THR 17 1HG2 THR 17 70.998 6.201 6.623 115 2HG2 THR 17 2HG2 THR 17 69.378 6.899 6.676 116 3HG2 THR 17 3HG2 THR 17 69.604 5.240 6.125 117 H TYR 18 HN TYR 18 67.423 4.197 6.265 118 HA TYR 18 HA TYR 18 65.733 6.350 6.157 119 1HB TYR 18 HB2 TYR 18 65.674 3.564 5.057 120 2HB TYR 18 HB1 TYR 18 64.459 4.742 4.625 121 HD1 TYR 18 HD1 TYR 18 64.871 5.174 2.373 122 HD2 TYR 18 HD2 TYR 18 68.111 5.253 5.085 123 HE1 TYR 18 HE1 TYR 18 66.308 6.110 0.621 124 HE2 TYR 18 HE2 TYR 18 69.578 6.139 3.343 125 HH TYR 18 HH TYR 18 69.461 6.006 0.594 126 H SER 19 HN SER 19 65.093 3.062 7.367 127 HA SER 19 HA SER 19 62.429 3.184 7.911 128 1HB SER 19 HB2 SER 19 64.620 1.508 8.666 129 2HB SER 19 HB1 SER 19 63.581 1.760 10.068 130 HG SER 19 HG SER 19 61.812 1.233 8.511 131 H GLU 20 HN GLU 20 64.772 5.106 9.390 132 HA GLU 20 HA GLU 20 63.181 5.543 11.789 133 1HB GLU 20 HB2 GLU 20 65.956 5.637 11.234 134 2HB GLU 20 HB1 GLU 20 65.458 7.276 11.652 135 1HG GLU 20 HG2 GLU 20 64.174 5.978 13.563 136 2HG GLU 20 HG1 GLU 20 65.481 4.819 13.290 137 H SER 21 HN SER 21 62.240 6.283 9.216 138 HA SER 21 HA SER 21 60.972 7.947 8.300 139 1HB SER 21 HB2 SER 21 60.617 8.487 10.816 140 2HB SER 21 HB1 SER 21 61.745 9.812 10.528 141 HG SER 21 HG SER 21 59.601 9.481 8.758 142 H GLY 22 HN GLY 22 64.058 7.774 8.107 143 1HA GLY 22 HA2 GLY 22 65.073 10.332 7.691 144 2HA GLY 22 HA1 GLY 22 65.729 8.863 6.993 145 H ARG 23 HN ARG 23 65.137 8.255 4.972 146 HA ARG 23 HA ARG 23 63.877 10.349 3.347 147 1HB ARG 23 HB2 ARG 23 66.284 9.788 2.917 148 2HB ARG 23 HB1 ARG 23 65.738 8.211 2.404 149 1HG ARG 23 HG2 ARG 23 64.359 10.400 1.070 150 2HG ARG 23 HG1 ARG 23 66.098 10.357 0.775 151 1HD ARG 23 HD2 ARG 23 65.911 8.000 0.074 152 2HD ARG 23 HD1 ARG 23 64.176 8.065 0.365 153 HE ARG 23 HE ARG 23 63.902 9.199 -1.605 154 1HH1 ARG 23 1HH1 ARG 23 67.296 9.140 -0.788 155 2HH1 ARG 23 2HH1 ARG 23 67.803 9.741 -2.331 156 1HH2 ARG 23 1HH2 ARG 23 64.567 9.988 -3.628 157 2HH2 ARG 23 2HH2 ARG 23 66.254 10.221 -3.942 158 H CYS 24 HN CYS 24 64.463 6.936 3.182 159 HA CYS 24 HA CYS 24 63.217 5.161 2.504 160 1HB CYS 24 HB2 CYS 24 61.140 7.001 3.518 161 2HB CYS 24 HB1 CYS 24 60.592 5.692 2.482 162 H ARG 25 HN ARG 25 64.175 5.480 0.454 163 HA ARG 25 HA ARG 25 63.335 7.131 -1.570 164 1HB ARG 25 HB2 ARG 25 65.401 5.905 -1.686 165 2HB ARG 25 HB1 ARG 25 64.539 4.388 -1.714 166 1HG ARG 25 HG2 ARG 25 65.355 4.929 -3.921 167 2HG ARG 25 HG1 ARG 25 63.588 4.957 -3.900 168 1HD ARG 25 HD2 ARG 25 63.676 7.008 -4.751 169 2HD ARG 25 HD1 ARG 25 64.391 7.554 -3.236 170 HE ARG 25 HE ARG 25 66.531 6.637 -4.568 171 1HH1 ARG 25 1HH1 ARG 25 63.947 8.783 -5.533 172 2HH1 ARG 25 2HH1 ARG 25 64.941 9.682 -6.629 173 1HH2 ARG 25 1HH2 ARG 25 67.831 7.822 -6.009 174 2HH2 ARG 25 2HH2 ARG 25 67.143 9.139 -6.900 175 H TYR 26 HN TYR 26 61.715 4.421 -0.348 176 HA TYR 26 HA TYR 26 59.591 4.705 -2.345 177 1HB TYR 26 HB2 TYR 26 60.786 2.091 -1.382 178 2HB TYR 26 HB1 TYR 26 59.232 2.201 -2.200 179 HD1 TYR 26 HD1 TYR 26 60.247 4.385 -4.213 180 HD2 TYR 26 HD2 TYR 26 61.747 0.599 -2.978 181 HE1 TYR 26 HE1 TYR 26 61.372 4.126 -6.386 182 HE2 TYR 26 HE2 TYR 26 62.880 0.335 -5.140 183 HH TYR 26 HH TYR 26 63.513 1.395 -7.038 184 H GLY 27 HN GLY 27 59.560 5.991 0.008 185 1HA GLY 27 HA2 GLY 27 58.810 4.964 2.368 186 2HA GLY 27 HA1 GLY 27 58.006 6.368 1.691 187 H ALA 28 HN ALA 28 57.493 3.468 3.044 188 HA ALA 28 HA ALA 28 55.587 2.287 3.424 189 1HB ALA 28 HB1 ALA 28 53.512 3.085 2.842 190 2HB ALA 28 HB2 ALA 28 54.068 3.693 1.284 191 3HB ALA 28 HB3 ALA 28 54.479 4.558 2.765 192 H LYS 29 HN LYS 29 56.937 2.673 0.331 193 HA LYS 29 HA LYS 29 55.916 0.103 -0.520 194 1HB LYS 29 HB2 LYS 29 55.556 2.441 -1.813 195 2HB LYS 29 HB1 LYS 29 57.073 1.915 -2.527 196 1HG LYS 29 HG2 LYS 29 56.004 0.528 -3.843 197 2HG LYS 29 HG1 LYS 29 55.312 -0.293 -2.446 198 1HD LYS 29 HD2 LYS 29 54.171 2.205 -3.687 199 2HD LYS 29 HD1 LYS 29 53.606 0.571 -4.036 200 1HE LYS 29 HE2 LYS 29 53.693 0.875 -1.218 201 2HE LYS 29 HE1 LYS 29 52.878 2.290 -1.888 202 1HZ LYS 29 HZ1 LYS 29 52.085 -0.299 -2.958 203 2HZ LYS 29 HZ2 LYS 29 51.143 1.062 -2.609 204 3HZ LYS 29 HZ3 LYS 29 51.627 0.025 -1.362 205 H CYS 30 HN CYS 30 58.447 1.136 1.018 206 HA CYS 30 HA CYS 30 60.541 0.442 -0.825 207 1HB CYS 30 HB2 CYS 30 62.066 0.867 1.049 208 2HB CYS 30 HB1 CYS 30 60.968 2.210 0.694 209 H GLN 31 HN GLN 31 61.579 -1.307 -1.083 210 HA GLN 31 HA GLN 31 61.351 -3.488 0.843 211 1HB GLN 31 HB2 GLN 31 60.468 -3.419 -1.867 212 2HB GLN 31 HB1 GLN 31 61.741 -4.615 -1.696 213 1HG GLN 31 HG2 GLN 31 60.511 -5.822 -0.089 214 2HG GLN 31 HG1 GLN 31 59.349 -4.511 0.106 215 1HE2 GLN 31 1HE2 GLN 31 60.062 -7.379 -1.463 216 2HE2 GLN 31 2HE2 GLN 31 58.801 -7.345 -2.654 217 H PHE 32 HN PHE 32 63.281 -1.519 -1.154 218 HA PHE 32 HA PHE 32 65.688 -2.744 -0.136 219 1HB PHE 32 HB2 PHE 32 65.099 -2.755 -3.083 220 2HB PHE 32 HB1 PHE 32 66.703 -2.974 -2.410 221 HD1 PHE 32 HD1 PHE 32 63.386 -4.449 -2.806 222 HD2 PHE 32 HD2 PHE 32 67.361 -5.025 -1.429 223 HE1 PHE 32 HE1 PHE 32 63.001 -6.883 -2.736 224 HE2 PHE 32 HE2 PHE 32 66.989 -7.463 -1.335 225 HZ PHE 32 HZ PHE 32 64.808 -8.395 -1.997 226 H ALA 33 HN ALA 33 65.135 -0.818 -3.067 227 HA ALA 33 HA ALA 33 67.245 0.838 -2.986 228 1HB ALA 33 HB1 ALA 33 65.344 2.601 -3.853 229 2HB ALA 33 HB2 ALA 33 64.567 1.043 -4.125 230 3HB ALA 33 HB3 ALA 33 66.139 1.381 -4.847 231 H HIS 34 HN HIS 34 68.043 1.789 -1.232 232 HA HIS 34 HA HIS 34 66.729 4.058 -0.079 233 1HB HIS 34 HB2 HIS 34 66.710 1.418 1.303 234 2HB HIS 34 HB1 HIS 34 67.137 2.803 2.295 235 HD1 HIS 34 HD1 HIS 34 64.374 3.196 -0.262 236 HD2 HIS 34 HD2 HIS 34 65.014 2.627 3.762 237 HE1 HIS 34 HE1 HIS 34 62.151 3.606 0.908 238 H GLY 35 HN GLY 35 68.591 3.241 2.480 239 1HA GLY 35 HA2 GLY 35 70.844 4.758 1.703 240 2HA GLY 35 HA1 GLY 35 70.636 3.826 3.205 241 H LEU 36 HN LEU 36 72.078 2.328 3.485 242 HA LEU 36 HA LEU 36 73.785 1.368 1.424 243 1HB LEU 36 HB2 LEU 36 73.960 1.549 4.127 244 2HB LEU 36 HB1 LEU 36 73.535 -0.143 3.960 245 HG LEU 36 HG LEU 36 75.689 0.637 2.157 246 1HD1 LEU 36 1HD1 LEU 36 77.233 1.495 3.538 247 2HD1 LEU 36 2HD1 LEU 36 76.716 0.498 4.900 248 3HD1 LEU 36 3HD1 LEU 36 75.846 1.981 4.512 249 1HD2 LEU 36 1HD2 LEU 36 76.503 -1.313 4.017 250 2HD2 LEU 36 2HD2 LEU 36 75.951 -1.559 2.360 251 3HD2 LEU 36 3HD2 LEU 36 74.796 -1.615 3.691 252 H GLY 37 HN GLY 37 73.995 -1.295 1.822 253 1HA GLY 37 HA2 GLY 37 71.893 -2.954 2.066 254 2HA GLY 37 HA1 GLY 37 71.701 -2.286 0.456 255 H GLU 38 HN GLU 38 73.325 -2.676 -1.120 256 HA GLU 38 HA GLU 38 74.496 -4.252 -2.313 257 1HB GLU 38 HB2 GLU 38 76.223 -3.757 0.107 258 2HB GLU 38 HB1 GLU 38 76.802 -4.528 -1.362 259 1HG GLU 38 HG2 GLU 38 75.733 -2.282 -2.397 260 2HG GLU 38 HG1 GLU 38 76.211 -1.700 -0.805 261 H LEU 39 HN LEU 39 72.552 -5.503 -0.361 262 HA LEU 39 HA LEU 39 73.421 -7.630 1.060 263 1HB LEU 39 HB2 LEU 39 71.152 -7.833 -0.906 264 2HB LEU 39 HB1 LEU 39 71.389 -8.831 0.514 265 HG LEU 39 HG LEU 39 71.233 -5.977 1.119 266 1HD1 LEU 39 1HD1 LEU 39 68.585 -6.361 0.854 267 2HD1 LEU 39 2HD1 LEU 39 69.160 -7.279 -0.539 268 3HD1 LEU 39 3HD1 LEU 39 69.577 -5.571 -0.374 269 1HD2 LEU 39 1HD2 LEU 39 69.790 -8.434 2.111 270 2HD2 LEU 39 2HD2 LEU 39 69.628 -6.821 2.804 271 3HD2 LEU 39 3HD2 LEU 39 71.182 -7.652 2.860 272 H ARG 40 HN ARG 40 73.305 -7.441 -2.392 273 HA ARG 40 HA ARG 40 74.600 -10.069 -2.629 274 1HB ARG 40 HB2 ARG 40 73.633 -10.337 -4.765 275 2HB ARG 40 HB1 ARG 40 72.348 -9.742 -3.718 276 1HG ARG 40 HG2 ARG 40 71.965 -8.124 -5.168 277 2HG ARG 40 HG1 ARG 40 73.571 -7.476 -4.824 278 1HD ARG 40 HD2 ARG 40 74.367 -9.290 -6.499 279 2HD ARG 40 HD1 ARG 40 72.690 -9.277 -7.041 280 HE ARG 40 HE ARG 40 74.677 -7.266 -7.525 281 1HH1 ARG 40 1HH1 ARG 40 71.247 -7.841 -7.202 282 2HH1 ARG 40 2HH1 ARG 40 70.801 -6.471 -8.164 283 1HH2 ARG 40 1HH2 ARG 40 74.086 -5.465 -8.796 284 2HH2 ARG 40 2HH2 ARG 40 72.409 -5.125 -9.069 285 H GLN 41 HN GLN 41 76.116 -7.754 -1.990 286 HA GLN 41 HA GLN 41 77.911 -7.792 -4.235 287 1HB GLN 41 HB2 GLN 41 76.917 -5.213 -3.033 288 2HB GLN 41 HB1 GLN 41 78.222 -5.341 -4.201 289 1HG GLN 41 HG2 GLN 41 76.026 -6.674 -5.327 290 2HG GLN 41 HG1 GLN 41 75.398 -5.183 -4.633 291 1HE2 GLN 41 1HE2 GLN 41 75.099 -3.912 -6.343 292 2HE2 GLN 41 2HE2 GLN 41 76.312 -3.502 -7.502 293 H ALA 42 HN ALA 42 77.440 -6.255 -1.057 294 HA ALA 42 HA ALA 42 78.785 -6.049 0.753 295 1HB ALA 42 HB1 ALA 42 78.854 -8.354 1.029 296 2HB ALA 42 HB2 ALA 42 80.558 -7.898 1.009 297 3HB ALA 42 HB3 ALA 42 79.815 -8.599 -0.429 298 H ASN 43 HN ASN 43 80.387 -4.685 1.216 299 HA ASN 43 HA ASN 43 82.861 -4.658 -0.243 300 1HB ASN 43 HB2 ASN 43 80.796 -3.088 -1.282 301 2HB ASN 43 HB1 ASN 43 81.803 -1.957 -0.387 302 1HD2 ASN 43 1HD2 ASN 43 84.231 -2.361 -0.786 303 2HD2 ASN 43 2HD2 ASN 43 84.683 -2.556 -2.441 Start of MODEL 22 1 H MET 4 HT1 MET 4 63.711 -20.033 -3.869 2 HA MET 4 HA MET 4 64.323 -22.085 -4.326 3 1HB MET 4 HB2 MET 4 61.695 -22.510 -4.544 4 2HB MET 4 HB1 MET 4 62.118 -22.673 -6.243 5 1HG MET 4 HG2 MET 4 62.154 -24.840 -5.315 6 2HG MET 4 HG1 MET 4 63.833 -24.362 -5.561 7 1HE MET 4 HE1 MET 4 63.040 -26.863 -3.425 8 2HE MET 4 HE2 MET 4 61.486 -26.035 -3.538 9 3HE MET 4 HE3 MET 4 62.271 -26.235 -1.969 10 H THR 5 HN THR 5 66.100 -21.390 -5.435 11 HA THR 5 HA THR 5 67.488 -20.973 -7.191 12 HB THR 5 HB THR 5 65.420 -22.431 -8.845 13 HG1 THR 5 HG1 THR 5 67.543 -23.490 -7.291 14 1HG2 THR 5 1HG2 THR 5 67.963 -23.225 -9.595 15 2HG2 THR 5 2HG2 THR 5 68.083 -21.475 -9.402 16 3HG2 THR 5 3HG2 THR 5 66.876 -22.161 -10.489 17 H THR 6 HN THR 6 66.790 -18.702 -6.873 18 HA THR 6 HA THR 6 64.852 -17.554 -8.626 19 HB THR 6 HB THR 6 65.429 -16.526 -6.472 20 HG1 THR 6 HG1 THR 6 64.719 -15.231 -8.309 21 1HG2 THR 6 1HG2 THR 6 67.836 -15.174 -7.276 22 2HG2 THR 6 2HG2 THR 6 68.075 -16.920 -7.220 23 3HG2 THR 6 3HG2 THR 6 67.482 -16.065 -5.797 24 H SER 7 HN SER 7 65.146 -16.339 -10.481 25 HA SER 7 HA SER 7 67.644 -16.878 -11.915 26 1HB SER 7 HB2 SER 7 65.389 -15.573 -13.324 27 2HB SER 7 HB1 SER 7 66.431 -16.897 -13.843 28 HG SER 7 HG SER 7 64.055 -16.959 -12.394 29 H SER 8 HN SER 8 65.942 -14.338 -10.376 30 HA SER 8 HA SER 8 68.030 -12.463 -11.092 31 1HB SER 8 HB2 SER 8 65.320 -11.303 -11.384 32 2HB SER 8 HB1 SER 8 66.797 -10.966 -12.288 33 HG SER 8 HG SER 8 66.450 -12.839 -13.482 34 H ARG 9 HN ARG 9 64.921 -12.920 -9.435 35 HA ARG 9 HA ARG 9 64.252 -12.437 -7.310 36 1HB ARG 9 HB2 ARG 9 66.735 -13.236 -6.887 37 2HB ARG 9 HB1 ARG 9 66.996 -11.536 -6.528 38 1HG ARG 9 HG2 ARG 9 64.652 -12.597 -5.184 39 2HG ARG 9 HG1 ARG 9 66.127 -13.472 -4.769 40 1HD ARG 9 HD2 ARG 9 66.415 -10.551 -4.805 41 2HD ARG 9 HD1 ARG 9 65.286 -11.154 -3.593 42 HE ARG 9 HE ARG 9 67.046 -12.291 -2.538 43 1HH1 ARG 9 1HH1 ARG 9 68.153 -10.507 -5.336 44 2HH1 ARG 9 2HH1 ARG 9 69.818 -10.591 -4.879 45 1HH2 ARG 9 1HH2 ARG 9 69.234 -12.399 -1.947 46 2HH2 ARG 9 2HH2 ARG 9 70.433 -11.663 -2.958 47 H TYR 10 HN TYR 10 64.337 -10.536 -5.649 48 HA TYR 10 HA TYR 10 63.664 -8.185 -7.089 49 1HB TYR 10 HB2 TYR 10 63.633 -9.120 -4.280 50 2HB TYR 10 HB1 TYR 10 63.650 -7.388 -4.534 51 HD1 TYR 10 HD1 TYR 10 61.517 -6.452 -4.347 52 HD2 TYR 10 HD2 TYR 10 61.990 -10.271 -6.171 53 HE1 TYR 10 HE1 TYR 10 59.098 -6.538 -4.781 54 HE2 TYR 10 HE2 TYR 10 59.569 -10.364 -6.613 55 HH TYR 10 HH TYR 10 57.369 -8.695 -5.145 56 H LYS 11 HN LYS 11 64.612 -6.172 -5.423 57 HA LYS 11 HA LYS 11 67.075 -5.641 -6.610 58 1HB LYS 11 HB2 LYS 11 66.078 -4.120 -4.235 59 2HB LYS 11 HB1 LYS 11 66.939 -3.528 -5.649 60 1HG LYS 11 HG2 LYS 11 64.794 -4.311 -6.924 61 2HG LYS 11 HG1 LYS 11 64.050 -4.180 -5.320 62 1HD LYS 11 HD2 LYS 11 63.740 -2.023 -5.854 63 2HD LYS 11 HD1 LYS 11 65.457 -1.839 -5.495 64 1HE LYS 11 HE2 LYS 11 65.638 -2.645 -8.037 65 2HE LYS 11 HE1 LYS 11 64.047 -1.886 -8.099 66 1HZ LYS 11 HZ1 LYS 11 66.086 -0.332 -6.757 67 2HZ LYS 11 HZ2 LYS 11 64.925 0.151 -7.888 68 3HZ LYS 11 HZ3 LYS 11 66.359 -0.574 -8.411 69 H THR 12 HN THR 12 68.676 -4.461 -4.893 70 HA THR 12 HA THR 12 69.694 -6.648 -3.214 71 HB THR 12 HB THR 12 71.760 -4.912 -3.549 72 HG1 THR 12 HG1 THR 12 70.542 -3.655 -5.013 73 1HG2 THR 12 1HG2 THR 12 70.982 -7.446 -4.668 74 2HG2 THR 12 2HG2 THR 12 72.572 -6.864 -4.176 75 3HG2 THR 12 3HG2 THR 12 71.960 -6.500 -5.788 76 H GLU 13 HN GLU 13 68.648 -3.359 -3.163 77 HA GLU 13 HA GLU 13 69.998 -2.682 -0.772 78 1HB GLU 13 HB2 GLU 13 68.473 -1.308 -2.755 79 2HB GLU 13 HB1 GLU 13 67.955 -0.839 -1.146 80 1HG GLU 13 HG2 GLU 13 69.850 0.244 -0.695 81 2HG GLU 13 HG1 GLU 13 70.847 -0.960 -1.508 82 H LEU 14 HN LEU 14 68.504 -1.414 0.902 83 HA LEU 14 HA LEU 14 66.078 -2.699 1.639 84 1HB LEU 14 HB2 LEU 14 67.118 -3.453 3.896 85 2HB LEU 14 HB1 LEU 14 67.207 -4.501 2.497 86 HG LEU 14 HG LEU 14 69.284 -4.151 4.060 87 1HD1 LEU 14 1HD1 LEU 14 69.428 -4.217 1.061 88 2HD1 LEU 14 2HD1 LEU 14 69.357 -5.585 2.163 89 3HD1 LEU 14 3HD1 LEU 14 70.780 -4.549 2.131 90 1HD2 LEU 14 1HD2 LEU 14 69.182 -1.656 3.773 91 2HD2 LEU 14 2HD2 LEU 14 69.764 -1.905 2.130 92 3HD2 LEU 14 3HD2 LEU 14 70.753 -2.403 3.497 93 H CYS 15 HN CYS 15 65.056 -1.701 3.409 94 HA CYS 15 HA CYS 15 65.692 1.012 3.777 95 1HB CYS 15 HB2 CYS 15 63.384 -0.116 3.854 96 2HB CYS 15 HB1 CYS 15 63.796 -0.627 5.486 97 H ARG 16 HN ARG 16 67.948 0.752 4.553 98 HA ARG 16 HA ARG 16 68.554 -0.539 6.970 99 1HB ARG 16 HB2 ARG 16 69.968 1.121 4.999 100 2HB ARG 16 HB1 ARG 16 70.535 1.336 6.647 101 1HG ARG 16 HG2 ARG 16 70.327 -1.298 5.230 102 2HG ARG 16 HG1 ARG 16 71.809 -0.381 5.500 103 1HD ARG 16 HD2 ARG 16 72.032 -1.400 7.458 104 2HD ARG 16 HD1 ARG 16 70.549 -0.613 7.998 105 HE ARG 16 HE ARG 16 69.974 -2.932 6.472 106 1HH1 ARG 16 1HH1 ARG 16 71.058 -1.899 9.624 107 2HH1 ARG 16 2HH1 ARG 16 70.455 -3.307 10.431 108 1HH2 ARG 16 1HH2 ARG 16 69.184 -4.785 7.528 109 2HH2 ARG 16 2HH2 ARG 16 69.394 -4.949 9.240 110 H THR 17 HN THR 17 69.503 2.802 6.781 111 HA THR 17 HA THR 17 68.556 3.286 9.432 112 HB THR 17 HB THR 17 70.751 4.126 8.572 113 HG1 THR 17 HG1 THR 17 69.032 6.215 9.402 114 1HG2 THR 17 1HG2 THR 17 70.230 6.535 7.451 115 2HG2 THR 17 2HG2 THR 17 69.025 5.516 6.670 116 3HG2 THR 17 3HG2 THR 17 70.731 5.096 6.566 117 H TYR 18 HN TYR 18 67.542 3.819 6.257 118 HA TYR 18 HA TYR 18 65.989 6.038 6.209 119 1HB TYR 18 HB2 TYR 18 65.792 3.303 4.995 120 2HB TYR 18 HB1 TYR 18 64.616 4.538 4.600 121 HD1 TYR 18 HD1 TYR 18 65.041 5.179 2.423 122 HD2 TYR 18 HD2 TYR 18 68.315 4.746 5.033 123 HE1 TYR 18 HE1 TYR 18 66.522 6.138 0.715 124 HE2 TYR 18 HE2 TYR 18 69.826 5.667 3.354 125 HH TYR 18 HH TYR 18 69.827 5.877 0.814 126 H SER 19 HN SER 19 65.095 2.792 7.357 127 HA SER 19 HA SER 19 62.427 3.085 7.841 128 1HB SER 19 HB2 SER 19 64.084 1.059 8.162 129 2HB SER 19 HB1 SER 19 64.040 1.581 9.844 130 HG SER 19 HG SER 19 61.746 1.009 8.275 131 H GLU 20 HN GLU 20 64.837 4.853 9.393 132 HA GLU 20 HA GLU 20 63.276 5.264 11.812 133 1HB GLU 20 HB2 GLU 20 66.052 5.374 11.200 134 2HB GLU 20 HB1 GLU 20 65.552 6.982 11.721 135 1HG GLU 20 HG2 GLU 20 65.020 6.296 13.813 136 2HG GLU 20 HG1 GLU 20 64.615 4.660 13.286 137 H SER 21 HN SER 21 62.285 6.074 9.300 138 HA SER 21 HA SER 21 61.098 7.783 8.372 139 1HB SER 21 HB2 SER 21 61.624 8.849 11.125 140 2HB SER 21 HB1 SER 21 60.932 9.919 9.907 141 HG SER 21 HG SER 21 59.874 7.383 10.618 142 H GLY 22 HN GLY 22 63.995 7.492 7.997 143 1HA GLY 22 HA2 GLY 22 65.149 10.067 7.853 144 2HA GLY 22 HA1 GLY 22 65.810 8.598 7.157 145 H ARG 23 HN ARG 23 65.458 8.143 5.070 146 HA ARG 23 HA ARG 23 64.307 10.284 3.442 147 1HB ARG 23 HB2 ARG 23 66.711 9.534 3.136 148 2HB ARG 23 HB1 ARG 23 66.056 8.041 2.509 149 1HG ARG 23 HG2 ARG 23 65.048 10.505 1.258 150 2HG ARG 23 HG1 ARG 23 66.740 10.104 0.962 151 1HD ARG 23 HD2 ARG 23 66.194 8.044 -0.043 152 2HD ARG 23 HD1 ARG 23 64.559 8.066 0.612 153 HE ARG 23 HE ARG 23 65.392 9.175 -1.843 154 1HH1 ARG 23 1HH1 ARG 23 63.281 9.810 0.860 155 2HH1 ARG 23 2HH1 ARG 23 62.183 10.781 -0.061 156 1HH2 ARG 23 1HH2 ARG 23 63.949 10.454 -3.060 157 2HH2 ARG 23 2HH2 ARG 23 62.562 11.145 -2.290 158 H CYS 24 HN CYS 24 64.669 6.823 3.330 159 HA CYS 24 HA CYS 24 63.368 5.154 2.482 160 1HB CYS 24 HB2 CYS 24 61.354 7.048 3.534 161 2HB CYS 24 HB1 CYS 24 60.775 5.785 2.459 162 H ARG 25 HN ARG 25 64.363 5.521 0.447 163 HA ARG 25 HA ARG 25 63.614 7.278 -1.513 164 1HB ARG 25 HB2 ARG 25 65.618 5.961 -1.683 165 2HB ARG 25 HB1 ARG 25 64.694 4.482 -1.751 166 1HG ARG 25 HG2 ARG 25 65.312 4.801 -3.951 167 2HG ARG 25 HG1 ARG 25 63.677 5.474 -3.911 168 1HD ARG 25 HD2 ARG 25 65.699 7.437 -3.211 169 2HD ARG 25 HD1 ARG 25 65.972 6.743 -4.808 170 HE ARG 25 HE ARG 25 63.266 7.434 -4.574 171 1HH1 ARG 25 1HH1 ARG 25 66.401 8.946 -4.791 172 2HH1 ARG 25 2HH1 ARG 25 65.795 10.381 -5.547 173 1HH2 ARG 25 1HH2 ARG 25 62.465 9.319 -5.563 174 2HH2 ARG 25 2HH2 ARG 25 63.558 10.596 -5.981 175 H TYR 26 HN TYR 26 61.817 4.643 -0.373 176 HA TYR 26 HA TYR 26 59.730 5.107 -2.369 177 1HB TYR 26 HB2 TYR 26 60.711 2.380 -1.490 178 2HB TYR 26 HB1 TYR 26 59.267 2.663 -2.448 179 HD1 TYR 26 HD1 TYR 26 60.178 4.645 -4.392 180 HD2 TYR 26 HD2 TYR 26 62.174 1.215 -2.874 181 HE1 TYR 26 HE1 TYR 26 61.479 4.489 -6.475 182 HE2 TYR 26 HE2 TYR 26 63.486 1.051 -4.944 183 HH TYR 26 HH TYR 26 63.447 1.742 -7.206 184 H GLY 27 HN GLY 27 59.829 6.207 0.155 185 1HA GLY 27 HA2 GLY 27 58.911 5.011 2.373 186 2HA GLY 27 HA1 GLY 27 58.282 6.562 1.847 187 H ALA 28 HN ALA 28 57.315 3.824 3.050 188 HA ALA 28 HA ALA 28 55.289 2.848 3.284 189 1HB ALA 28 HB1 ALA 28 54.570 5.139 1.580 190 2HB ALA 28 HB2 ALA 28 53.863 4.580 3.092 191 3HB ALA 28 HB3 ALA 28 53.448 3.779 1.577 192 H LYS 29 HN LYS 29 56.751 3.102 0.198 193 HA LYS 29 HA LYS 29 55.560 0.591 -0.616 194 1HB LYS 29 HB2 LYS 29 55.093 2.771 -1.923 195 2HB LYS 29 HB1 LYS 29 56.742 2.572 -2.503 196 1HG LYS 29 HG2 LYS 29 56.245 0.629 -3.640 197 2HG LYS 29 HG1 LYS 29 54.790 0.346 -2.683 198 1HD LYS 29 HD2 LYS 29 54.450 1.163 -5.070 199 2HD LYS 29 HD1 LYS 29 53.598 2.034 -3.794 200 1HE LYS 29 HE2 LYS 29 54.742 3.929 -4.158 201 2HE LYS 29 HE1 LYS 29 56.273 3.075 -4.345 202 1HZ LYS 29 HZ1 LYS 29 54.357 3.916 -6.363 203 2HZ LYS 29 HZ2 LYS 29 55.047 2.389 -6.604 204 3HZ LYS 29 HZ3 LYS 29 56.036 3.754 -6.465 205 H CYS 30 HN CYS 30 58.137 1.517 0.861 206 HA CYS 30 HA CYS 30 60.186 0.710 -0.990 207 1HB CYS 30 HB2 CYS 30 61.761 1.170 0.808 208 2HB CYS 30 HB1 CYS 30 60.658 2.525 0.515 209 H GLN 31 HN GLN 31 60.661 -1.288 -1.377 210 HA GLN 31 HA GLN 31 60.639 -3.259 0.772 211 1HB GLN 31 HB2 GLN 31 60.909 -4.703 -1.521 212 2HB GLN 31 HB1 GLN 31 59.375 -4.387 -0.716 213 1HG GLN 31 HG2 GLN 31 59.006 -3.921 -2.970 214 2HG GLN 31 HG1 GLN 31 59.192 -2.347 -2.202 215 1HE2 GLN 31 1HE2 GLN 31 60.229 -4.388 -4.642 216 2HE2 GLN 31 2HE2 GLN 31 61.611 -3.484 -5.172 217 H PHE 32 HN PHE 32 62.426 -1.397 -1.408 218 HA PHE 32 HA PHE 32 64.940 -2.324 -0.405 219 1HB PHE 32 HB2 PHE 32 64.312 -2.666 -3.342 220 2HB PHE 32 HB1 PHE 32 65.891 -2.890 -2.605 221 HD1 PHE 32 HD1 PHE 32 62.547 -4.296 -3.023 222 HD2 PHE 32 HD2 PHE 32 66.406 -4.859 -1.331 223 HE1 PHE 32 HE1 PHE 32 62.046 -6.674 -2.682 224 HE2 PHE 32 HE2 PHE 32 65.909 -7.245 -0.991 225 HZ PHE 32 HZ PHE 32 63.724 -8.150 -1.685 226 H ALA 33 HN ALA 33 66.524 -1.218 -2.479 227 HA ALA 33 HA ALA 33 67.513 0.782 -2.951 228 1HB ALA 33 HB1 ALA 33 66.430 1.815 -4.633 229 2HB ALA 33 HB2 ALA 33 64.945 2.012 -3.703 230 3HB ALA 33 HB3 ALA 33 65.312 0.461 -4.461 231 H HIS 34 HN HIS 34 68.227 1.706 -1.112 232 HA HIS 34 HA HIS 34 66.891 4.054 -0.145 233 1HB HIS 34 HB2 HIS 34 66.913 1.555 1.505 234 2HB HIS 34 HB1 HIS 34 67.195 3.098 2.306 235 HD1 HIS 34 HD1 HIS 34 64.552 3.372 -0.312 236 HD2 HIS 34 HD2 HIS 34 64.976 2.493 3.686 237 HE1 HIS 34 HE1 HIS 34 62.256 3.683 0.773 238 H GLY 35 HN GLY 35 68.765 2.639 2.327 239 1HA GLY 35 HA2 GLY 35 70.898 4.488 2.004 240 2HA GLY 35 HA1 GLY 35 70.760 3.214 3.232 241 H LEU 36 HN LEU 36 72.509 2.015 3.182 242 HA LEU 36 HA LEU 36 74.248 1.701 1.013 243 1HB LEU 36 HB2 LEU 36 74.987 1.338 3.272 244 2HB LEU 36 HB1 LEU 36 73.817 0.054 3.505 245 HG LEU 36 HG LEU 36 75.303 -0.810 1.348 246 1HD1 LEU 36 1HD1 LEU 36 77.568 -0.487 1.754 247 2HD1 LEU 36 2HD1 LEU 36 77.286 0.103 3.391 248 3HD1 LEU 36 3HD1 LEU 36 76.869 1.112 2.006 249 1HD2 LEU 36 1HD2 LEU 36 75.913 -2.578 2.745 250 2HD2 LEU 36 2HD2 LEU 36 74.412 -1.982 3.457 251 3HD2 LEU 36 3HD2 LEU 36 75.965 -1.547 4.176 252 H GLY 37 HN GLY 37 72.429 -0.983 2.487 253 1HA GLY 37 HA2 GLY 37 71.461 -2.840 1.563 254 2HA GLY 37 HA1 GLY 37 70.910 -1.733 0.329 255 H GLU 38 HN GLU 38 74.272 -2.041 0.658 256 HA GLU 38 HA GLU 38 74.397 -3.442 -1.901 257 1HB GLU 38 HB2 GLU 38 76.730 -2.319 -0.354 258 2HB GLU 38 HB1 GLU 38 76.638 -2.667 -2.076 259 1HG GLU 38 HG2 GLU 38 74.737 -0.862 -2.016 260 2HG GLU 38 HG1 GLU 38 75.561 -0.356 -0.543 261 H LEU 39 HN LEU 39 73.519 -5.041 0.177 262 HA LEU 39 HA LEU 39 75.772 -6.531 1.206 263 1HB LEU 39 HB2 LEU 39 72.836 -7.162 1.395 264 2HB LEU 39 HB1 LEU 39 74.123 -7.920 2.318 265 HG LEU 39 HG LEU 39 73.875 -4.981 2.512 266 1HD1 LEU 39 1HD1 LEU 39 71.943 -4.897 3.687 267 2HD1 LEU 39 2HD1 LEU 39 72.156 -6.511 4.361 268 3HD1 LEU 39 3HD1 LEU 39 71.557 -6.316 2.714 269 1HD2 LEU 39 1HD2 LEU 39 75.632 -6.272 3.673 270 2HD2 LEU 39 2HD2 LEU 39 74.377 -7.124 4.571 271 3HD2 LEU 39 3HD2 LEU 39 74.586 -5.385 4.780 272 H ARG 40 HN ARG 40 73.724 -6.639 -1.508 273 HA ARG 40 HA ARG 40 74.766 -9.296 -2.227 274 1HB ARG 40 HB2 ARG 40 72.510 -8.784 -3.836 275 2HB ARG 40 HB1 ARG 40 72.668 -9.982 -2.561 276 1HG ARG 40 HG2 ARG 40 71.981 -7.180 -1.827 277 2HG ARG 40 HG1 ARG 40 70.738 -8.224 -2.520 278 1HD ARG 40 HD2 ARG 40 71.499 -9.932 -0.743 279 2HD ARG 40 HD1 ARG 40 72.264 -8.551 0.040 280 HE ARG 40 HE ARG 40 69.572 -7.948 -0.552 281 1HH1 ARG 40 1HH1 ARG 40 71.508 -9.884 1.613 282 2HH1 ARG 40 2HH1 ARG 40 70.331 -9.870 2.882 283 1HH2 ARG 40 1HH2 ARG 40 68.023 -7.923 1.119 284 2HH2 ARG 40 2HH2 ARG 40 68.349 -8.758 2.601 285 H GLN 41 HN GLN 41 76.124 -6.874 -2.666 286 HA GLN 41 HA GLN 41 76.393 -6.992 -5.516 287 1HB GLN 41 HB2 GLN 41 75.804 -4.429 -4.041 288 2HB GLN 41 HB1 GLN 41 76.386 -4.498 -5.702 289 1HG GLN 41 HG2 GLN 41 74.267 -6.146 -5.871 290 2HG GLN 41 HG1 GLN 41 73.717 -5.060 -4.598 291 1HE2 GLN 41 1HE2 GLN 41 73.449 -5.561 -7.744 292 2HE2 GLN 41 2HE2 GLN 41 73.296 -3.941 -8.330 293 H ALA 42 HN ALA 42 77.650 -6.245 -2.388 294 HA ALA 42 HA ALA 42 79.779 -6.098 -1.604 295 1HB ALA 42 HB1 ALA 42 81.598 -6.957 -2.898 296 2HB ALA 42 HB2 ALA 42 80.685 -6.781 -4.395 297 3HB ALA 42 HB3 ALA 42 80.189 -7.974 -3.194 298 H ASN 43 HN ASN 43 80.763 -4.264 -1.100 299 HA ASN 43 HA ASN 43 80.490 -1.938 -2.717 300 1HB ASN 43 HB2 ASN 43 81.356 -2.576 -0.029 301 2HB ASN 43 HB1 ASN 43 82.440 -1.405 -0.772 302 1HD2 ASN 43 1HD2 ASN 43 80.797 -0.853 1.421 303 2HD2 ASN 43 2HD2 ASN 43 79.626 0.324 0.946 Start of MODEL 23 1 H MET 4 HT1 MET 4 71.914 -20.089 -3.816 2 HA MET 4 HA MET 4 71.478 -21.795 -6.119 3 1HB MET 4 HB2 MET 4 70.239 -21.692 -3.837 4 2HB MET 4 HB1 MET 4 69.491 -20.239 -4.486 5 1HG MET 4 HG2 MET 4 68.176 -21.384 -5.899 6 2HG MET 4 HG1 MET 4 69.418 -22.583 -6.255 7 1HE MET 4 HE1 MET 4 65.832 -22.583 -4.724 8 2HE MET 4 HE2 MET 4 66.081 -24.311 -4.979 9 3HE MET 4 HE3 MET 4 66.592 -23.157 -6.211 10 H THR 5 HN THR 5 70.089 -21.050 -7.841 11 HA THR 5 HA THR 5 70.937 -18.587 -8.946 12 HB THR 5 HB THR 5 68.462 -19.939 -9.931 13 HG1 THR 5 HG1 THR 5 71.062 -21.002 -10.291 14 1HG2 THR 5 1HG2 THR 5 70.306 -18.098 -10.993 15 2HG2 THR 5 2HG2 THR 5 68.917 -18.840 -11.784 16 3HG2 THR 5 3HG2 THR 5 70.500 -19.609 -11.884 17 H THR 6 HN THR 6 69.461 -16.842 -9.670 18 HA THR 6 HA THR 6 67.526 -16.221 -7.536 19 HB THR 6 HB THR 6 67.836 -13.835 -8.443 20 HG1 THR 6 HG1 THR 6 68.870 -14.246 -10.355 21 1HG2 THR 6 1HG2 THR 6 69.338 -13.415 -6.846 22 2HG2 THR 6 2HG2 THR 6 70.489 -14.592 -7.475 23 3HG2 THR 6 3HG2 THR 6 69.150 -15.126 -6.459 24 H SER 7 HN SER 7 67.920 -16.582 -10.978 25 HA SER 7 HA SER 7 66.414 -16.751 -12.672 26 1HB SER 7 HB2 SER 7 64.675 -17.061 -10.284 27 2HB SER 7 HB1 SER 7 63.874 -16.648 -11.797 28 HG SER 7 HG SER 7 64.861 -18.478 -12.736 29 H SER 8 HN SER 8 64.864 -14.570 -10.312 30 HA SER 8 HA SER 8 65.406 -12.231 -11.816 31 1HB SER 8 HB2 SER 8 62.950 -11.735 -12.321 32 2HB SER 8 HB1 SER 8 63.738 -12.923 -13.358 33 HG SER 8 HG SER 8 61.946 -13.962 -12.801 34 H ARG 9 HN ARG 9 65.822 -12.924 -9.196 35 HA ARG 9 HA ARG 9 63.858 -12.241 -7.346 36 1HB ARG 9 HB2 ARG 9 66.576 -12.918 -7.277 37 2HB ARG 9 HB1 ARG 9 66.486 -11.347 -6.496 38 1HG ARG 9 HG2 ARG 9 64.375 -13.030 -5.529 39 2HG ARG 9 HG1 ARG 9 65.923 -13.862 -5.389 40 1HD ARG 9 HD2 ARG 9 66.504 -11.311 -4.527 41 2HD ARG 9 HD1 ARG 9 64.879 -11.582 -3.899 42 HE ARG 9 HE ARG 9 67.309 -12.885 -3.062 43 1HH1 ARG 9 1HH1 ARG 9 63.824 -13.089 -3.163 44 2HH1 ARG 9 2HH1 ARG 9 63.722 -14.161 -1.807 45 1HH2 ARG 9 1HH2 ARG 9 67.177 -14.296 -1.280 46 2HH2 ARG 9 2HH2 ARG 9 65.626 -14.845 -0.739 47 H TYR 10 HN TYR 10 64.272 -10.273 -5.798 48 HA TYR 10 HA TYR 10 63.713 -7.922 -7.356 49 1HB TYR 10 HB2 TYR 10 63.516 -8.789 -4.539 50 2HB TYR 10 HB1 TYR 10 63.732 -7.071 -4.804 51 HD1 TYR 10 HD1 TYR 10 61.716 -5.926 -4.644 52 HD2 TYR 10 HD2 TYR 10 61.809 -9.750 -6.497 53 HE1 TYR 10 HE1 TYR 10 59.315 -5.731 -5.138 54 HE2 TYR 10 HE2 TYR 10 59.403 -9.567 -7.005 55 HH TYR 10 HH TYR 10 57.736 -6.897 -7.085 56 H LYS 11 HN LYS 11 64.779 -5.949 -5.702 57 HA LYS 11 HA LYS 11 67.327 -5.669 -6.816 58 1HB LYS 11 HB2 LYS 11 66.284 -3.994 -4.553 59 2HB LYS 11 HB1 LYS 11 67.351 -3.521 -5.870 60 1HG LYS 11 HG2 LYS 11 65.300 -4.126 -7.370 61 2HG LYS 11 HG1 LYS 11 64.392 -3.893 -5.866 62 1HD LYS 11 HD2 LYS 11 64.585 -1.672 -5.995 63 2HD LYS 11 HD1 LYS 11 66.316 -1.767 -6.318 64 1HE LYS 11 HE2 LYS 11 65.868 -1.079 -8.386 65 2HE LYS 11 HE1 LYS 11 65.117 -2.648 -8.667 66 1HZ LYS 11 HZ1 LYS 11 63.852 -0.070 -8.043 67 2HZ LYS 11 HZ2 LYS 11 63.071 -1.500 -7.590 68 3HZ LYS 11 HZ3 LYS 11 63.433 -1.213 -9.217 69 H THR 12 HN THR 12 68.868 -4.490 -4.922 70 HA THR 12 HA THR 12 69.513 -6.725 -3.109 71 HB THR 12 HB THR 12 71.246 -6.720 -4.664 72 HG1 THR 12 HG1 THR 12 72.692 -6.566 -3.172 73 1HG2 THR 12 1HG2 THR 12 71.280 -3.713 -4.555 74 2HG2 THR 12 2HG2 THR 12 70.699 -4.708 -5.890 75 3HG2 THR 12 3HG2 THR 12 72.408 -4.717 -5.460 76 H GLU 13 HN GLU 13 68.608 -3.474 -3.171 77 HA GLU 13 HA GLU 13 70.124 -2.662 -0.913 78 1HB GLU 13 HB2 GLU 13 68.407 -1.412 -2.859 79 2HB GLU 13 HB1 GLU 13 68.102 -0.828 -1.235 80 1HG GLU 13 HG2 GLU 13 70.087 0.215 -1.074 81 2HG GLU 13 HG1 GLU 13 70.930 -1.018 -2.011 82 H LEU 14 HN LEU 14 68.551 -1.292 0.759 83 HA LEU 14 HA LEU 14 66.213 -2.676 1.585 84 1HB LEU 14 HB2 LEU 14 67.359 -3.259 3.870 85 2HB LEU 14 HB1 LEU 14 67.398 -4.383 2.525 86 HG LEU 14 HG LEU 14 69.550 -4.018 3.874 87 1HD1 LEU 14 1HD1 LEU 14 70.224 -3.498 1.062 88 2HD1 LEU 14 2HD1 LEU 14 69.143 -4.857 1.350 89 3HD1 LEU 14 3HD1 LEU 14 70.723 -4.806 2.128 90 1HD2 LEU 14 1HD2 LEU 14 69.205 -1.491 3.737 91 2HD2 LEU 14 2HD2 LEU 14 69.882 -1.625 2.118 92 3HD2 LEU 14 3HD2 LEU 14 70.834 -2.125 3.515 93 H CYS 15 HN CYS 15 65.226 -1.747 3.450 94 HA CYS 15 HA CYS 15 65.673 1.034 3.723 95 1HB CYS 15 HB2 CYS 15 63.427 -0.178 3.825 96 2HB CYS 15 HB1 CYS 15 63.885 -0.732 5.430 97 H ARG 16 HN ARG 16 67.903 1.082 4.564 98 HA ARG 16 HA ARG 16 68.540 -0.236 6.991 99 1HB ARG 16 HB2 ARG 16 69.941 1.558 5.054 100 2HB ARG 16 HB1 ARG 16 70.556 1.504 6.703 101 1HG ARG 16 HG2 ARG 16 70.465 -1.062 6.415 102 2HG ARG 16 HG1 ARG 16 70.411 -0.678 4.700 103 1HD ARG 16 HD2 ARG 16 72.642 -0.714 4.842 104 2HD ARG 16 HD1 ARG 16 72.450 0.905 5.510 105 HE ARG 16 HE ARG 16 72.420 -0.293 7.746 106 1HH1 ARG 16 1HH1 ARG 16 74.183 -1.510 4.980 107 2HH1 ARG 16 2HH1 ARG 16 75.355 -2.339 5.943 108 1HH2 ARG 16 1HH2 ARG 16 73.963 -1.387 8.999 109 2HH2 ARG 16 2HH2 ARG 16 75.232 -2.274 8.221 110 H THR 17 HN THR 17 69.589 3.047 6.819 111 HA THR 17 HA THR 17 68.622 3.637 9.410 112 HB THR 17 HB THR 17 70.716 4.589 8.561 113 HG1 THR 17 HG1 THR 17 70.279 6.776 9.166 114 1HG2 THR 17 1HG2 THR 17 68.957 5.708 6.470 115 2HG2 THR 17 2HG2 THR 17 70.619 5.129 6.371 116 3HG2 THR 17 3HG2 THR 17 70.277 6.715 7.062 117 H TYR 18 HN TYR 18 67.418 3.902 6.280 118 HA TYR 18 HA TYR 18 65.722 6.058 6.256 119 1HB TYR 18 HB2 TYR 18 65.730 3.324 5.016 120 2HB TYR 18 HB1 TYR 18 64.469 4.482 4.643 121 HD1 TYR 18 HD1 TYR 18 64.816 5.232 2.511 122 HD2 TYR 18 HD2 TYR 18 68.157 4.878 5.044 123 HE1 TYR 18 HE1 TYR 18 66.202 6.337 0.814 124 HE2 TYR 18 HE2 TYR 18 69.582 5.941 3.374 125 HH TYR 18 HH TYR 18 69.406 6.171 0.693 126 H SER 19 HN SER 19 65.085 2.701 7.266 127 HA SER 19 HA SER 19 62.430 2.733 7.780 128 1HB SER 19 HB2 SER 19 63.763 0.718 8.013 129 2HB SER 19 HB1 SER 19 64.571 1.389 9.429 130 HG SER 19 HG SER 19 62.748 1.160 10.597 131 H GLU 20 HN GLU 20 64.866 4.307 9.618 132 HA GLU 20 HA GLU 20 63.256 4.748 11.947 133 1HB GLU 20 HB2 GLU 20 65.960 4.987 11.325 134 2HB GLU 20 HB1 GLU 20 65.430 6.644 11.603 135 1HG GLU 20 HG2 GLU 20 64.299 5.599 13.709 136 2HG GLU 20 HG1 GLU 20 65.510 4.336 13.470 137 H SER 21 HN SER 21 63.916 6.436 9.003 138 HA SER 21 HA SER 21 61.894 7.865 8.356 139 1HB SER 21 HB2 SER 21 61.219 8.669 10.472 140 2HB SER 21 HB1 SER 21 62.857 9.168 10.900 141 HG SER 21 HG SER 21 61.076 10.733 10.005 142 H GLY 22 HN GLY 22 65.126 7.584 8.466 143 1HA GLY 22 HA2 GLY 22 66.320 9.937 7.851 144 2HA GLY 22 HA1 GLY 22 66.796 8.413 7.127 145 H ARG 23 HN ARG 23 64.417 8.036 5.629 146 HA ARG 23 HA ARG 23 63.871 10.255 3.955 147 1HB ARG 23 HB2 ARG 23 66.225 9.777 3.354 148 2HB ARG 23 HB1 ARG 23 65.715 8.200 2.809 149 1HG ARG 23 HG2 ARG 23 64.066 10.103 1.528 150 2HG ARG 23 HG1 ARG 23 65.743 10.631 1.364 151 1HD ARG 23 HD2 ARG 23 66.350 8.421 0.484 152 2HD ARG 23 HD1 ARG 23 64.683 7.888 0.654 153 HE ARG 23 HE ARG 23 64.072 9.268 -1.150 154 1HH1 ARG 23 1HH1 ARG 23 67.503 9.414 -0.496 155 2HH1 ARG 23 2HH1 ARG 23 67.895 10.045 -2.058 156 1HH2 ARG 23 1HH2 ARG 23 64.594 10.095 -3.199 157 2HH2 ARG 23 2HH2 ARG 23 66.247 10.434 -3.591 158 H CYS 24 HN CYS 24 64.461 6.876 3.458 159 HA CYS 24 HA CYS 24 63.172 5.151 2.717 160 1HB CYS 24 HB2 CYS 24 61.156 6.916 3.933 161 2HB CYS 24 HB1 CYS 24 60.555 5.737 2.785 162 H ARG 25 HN ARG 25 64.081 5.638 0.646 163 HA ARG 25 HA ARG 25 63.175 7.405 -1.243 164 1HB ARG 25 HB2 ARG 25 65.209 6.148 -1.546 165 2HB ARG 25 HB1 ARG 25 64.321 4.643 -1.582 166 1HG ARG 25 HG2 ARG 25 64.676 4.899 -3.800 167 2HG ARG 25 HG1 ARG 25 63.158 5.795 -3.665 168 1HD ARG 25 HD2 ARG 25 65.379 7.518 -3.076 169 2HD ARG 25 HD1 ARG 25 65.630 6.715 -4.625 170 HE ARG 25 HE ARG 25 63.064 8.026 -4.116 171 1HH1 ARG 25 1HH1 ARG 25 66.111 7.959 -5.835 172 2HH1 ARG 25 2HH1 ARG 25 65.594 9.089 -7.039 173 1HH2 ARG 25 1HH2 ARG 25 62.392 9.514 -5.698 174 2HH2 ARG 25 2HH2 ARG 25 63.486 9.972 -6.961 175 H TYR 26 HN TYR 26 61.602 4.638 -0.113 176 HA TYR 26 HA TYR 26 59.320 5.086 -1.872 177 1HB TYR 26 HB2 TYR 26 60.523 2.367 -1.282 178 2HB TYR 26 HB1 TYR 26 59.009 2.625 -2.135 179 HD1 TYR 26 HD1 TYR 26 59.785 4.789 -4.013 180 HD2 TYR 26 HD2 TYR 26 61.904 1.312 -2.783 181 HE1 TYR 26 HE1 TYR 26 61.010 4.782 -6.144 182 HE2 TYR 26 HE2 TYR 26 63.137 1.296 -4.906 183 HH TYR 26 HH TYR 26 62.692 2.194 -7.295 184 H GLY 27 HN GLY 27 59.396 6.147 0.497 185 1HA GLY 27 HA2 GLY 27 59.063 4.983 2.865 186 2HA GLY 27 HA1 GLY 27 58.027 6.300 2.373 187 H ALA 28 HN ALA 28 56.536 4.730 0.383 188 HA ALA 28 HA ALA 28 55.011 3.091 2.286 189 1HB ALA 28 HB1 ALA 28 53.795 3.953 -0.273 190 2HB ALA 28 HB2 ALA 28 54.063 5.180 0.967 191 3HB ALA 28 HB3 ALA 28 53.067 3.767 1.321 192 H LYS 29 HN LYS 29 56.843 2.930 -0.560 193 HA LYS 29 HA LYS 29 55.966 0.216 -1.061 194 1HB LYS 29 HB2 LYS 29 55.461 2.146 -2.722 195 2HB LYS 29 HB1 LYS 29 57.137 1.914 -3.187 196 1HG LYS 29 HG2 LYS 29 56.625 0.153 -4.373 197 2HG LYS 29 HG1 LYS 29 55.835 -0.597 -2.992 198 1HD LYS 29 HD2 LYS 29 54.494 1.490 -4.687 199 2HD LYS 29 HD1 LYS 29 54.381 -0.236 -5.039 200 1HE LYS 29 HE2 LYS 29 53.583 -0.488 -2.626 201 2HE LYS 29 HE1 LYS 29 53.376 1.263 -2.638 202 1HZ LYS 29 HZ1 LYS 29 51.358 -0.088 -3.210 203 2HZ LYS 29 HZ2 LYS 29 52.127 -0.508 -4.657 204 3HZ LYS 29 HZ3 LYS 29 51.765 1.112 -4.329 205 H CYS 30 HN CYS 30 58.204 1.235 0.614 206 HA CYS 30 HA CYS 30 60.523 0.629 -0.999 207 1HB CYS 30 HB2 CYS 30 61.890 1.161 0.899 208 2HB CYS 30 HB1 CYS 30 60.698 2.431 0.597 209 H GLN 31 HN GLN 31 61.245 -1.258 -1.339 210 HA GLN 31 HA GLN 31 61.052 -3.327 0.699 211 1HB GLN 31 HB2 GLN 31 61.357 -4.692 -1.605 212 2HB GLN 31 HB1 GLN 31 59.804 -4.320 -0.881 213 1HG GLN 31 HG2 GLN 31 59.636 -3.809 -3.179 214 2HG GLN 31 HG1 GLN 31 59.721 -2.278 -2.312 215 1HE2 GLN 31 1HE2 GLN 31 60.898 -4.017 -4.866 216 2HE2 GLN 31 2HE2 GLN 31 62.345 -3.112 -5.184 217 H PHE 32 HN PHE 32 63.028 -1.370 -1.208 218 HA PHE 32 HA PHE 32 65.408 -2.677 -0.236 219 1HB PHE 32 HB2 PHE 32 64.817 -2.583 -3.189 220 2HB PHE 32 HB1 PHE 32 66.405 -2.922 -2.517 221 HD1 PHE 32 HD1 PHE 32 63.034 -4.177 -3.040 222 HD2 PHE 32 HD2 PHE 32 66.875 -5.036 -1.451 223 HE1 PHE 32 HE1 PHE 32 62.449 -6.560 -2.949 224 HE2 PHE 32 HE2 PHE 32 66.303 -7.432 -1.355 225 HZ PHE 32 HZ PHE 32 64.081 -8.189 -2.116 226 H ALA 33 HN ALA 33 65.244 -0.761 -3.179 227 HA ALA 33 HA ALA 33 67.271 0.912 -2.883 228 1HB ALA 33 HB1 ALA 33 65.091 0.854 -4.532 229 2HB ALA 33 HB2 ALA 33 66.444 1.979 -4.649 230 3HB ALA 33 HB3 ALA 33 64.975 2.451 -3.790 231 H HIS 34 HN HIS 34 67.995 1.976 -1.190 232 HA HIS 34 HA HIS 34 66.581 4.230 -0.135 233 1HB HIS 34 HB2 HIS 34 66.795 1.725 1.479 234 2HB HIS 34 HB1 HIS 34 67.043 3.273 2.288 235 HD1 HIS 34 HD1 HIS 34 64.322 3.527 -0.218 236 HD2 HIS 34 HD2 HIS 34 64.883 2.492 3.726 237 HE1 HIS 34 HE1 HIS 34 62.056 3.739 0.945 238 H GLY 35 HN GLY 35 68.634 2.941 2.248 239 1HA GLY 35 HA2 GLY 35 70.546 4.937 2.085 240 2HA GLY 35 HA1 GLY 35 70.709 3.418 2.990 241 H LEU 36 HN LEU 36 72.009 1.856 2.215 242 HA LEU 36 HA LEU 36 73.379 2.356 -0.332 243 1HB LEU 36 HB2 LEU 36 75.001 0.671 1.087 244 2HB LEU 36 HB1 LEU 36 75.238 2.394 0.905 245 HG LEU 36 HG LEU 36 73.554 2.300 3.042 246 1HD1 LEU 36 1HD1 LEU 36 73.677 -0.169 3.074 247 2HD1 LEU 36 2HD1 LEU 36 74.303 0.571 4.548 248 3HD1 LEU 36 3HD1 LEU 36 75.417 -0.048 3.330 249 1HD2 LEU 36 1HD2 LEU 36 76.108 2.152 4.148 250 2HD2 LEU 36 2HD2 LEU 36 75.232 3.606 3.670 251 3HD2 LEU 36 3HD2 LEU 36 76.337 2.828 2.536 252 H GLY 37 HN GLY 37 72.137 -0.056 1.906 253 1HA GLY 37 HA2 GLY 37 71.712 -2.307 1.651 254 2HA GLY 37 HA1 GLY 37 70.798 -1.697 0.301 255 H GLU 38 HN GLU 38 74.002 -2.701 1.220 256 HA GLU 38 HA GLU 38 74.339 -3.852 -1.468 257 1HB GLU 38 HB2 GLU 38 76.554 -2.874 0.350 258 2HB GLU 38 HB1 GLU 38 76.731 -3.466 -1.297 259 1HG GLU 38 HG2 GLU 38 74.947 -1.428 -1.621 260 2HG GLU 38 HG1 GLU 38 75.971 -0.822 -0.319 261 H LEU 39 HN LEU 39 73.050 -5.225 0.572 262 HA LEU 39 HA LEU 39 74.833 -6.932 2.003 263 1HB LEU 39 HB2 LEU 39 71.899 -7.154 1.389 264 2HB LEU 39 HB1 LEU 39 72.763 -8.335 2.360 265 HG LEU 39 HG LEU 39 72.743 -5.425 3.040 266 1HD1 LEU 39 1HD1 LEU 39 70.434 -6.756 2.913 267 2HD1 LEU 39 2HD1 LEU 39 70.772 -5.574 4.177 268 3HD1 LEU 39 3HD1 LEU 39 70.969 -7.296 4.505 269 1HD2 LEU 39 1HD2 LEU 39 73.270 -6.278 5.293 270 2HD2 LEU 39 2HD2 LEU 39 74.479 -6.743 4.095 271 3HD2 LEU 39 3HD2 LEU 39 73.285 -7.919 4.644 272 H ARG 40 HN ARG 40 73.288 -7.024 -1.047 273 HA ARG 40 HA ARG 40 74.564 -9.604 -1.656 274 1HB ARG 40 HB2 ARG 40 72.639 -9.477 -3.554 275 2HB ARG 40 HB1 ARG 40 72.454 -10.313 -2.022 276 1HG ARG 40 HG2 ARG 40 71.750 -7.520 -1.776 277 2HG ARG 40 HG1 ARG 40 70.833 -8.313 -3.056 278 1HD ARG 40 HD2 ARG 40 69.865 -9.832 -1.602 279 2HD ARG 40 HD1 ARG 40 71.135 -9.639 -0.396 280 HE ARG 40 HE ARG 40 69.452 -7.322 -0.881 281 1HH1 ARG 40 1HH1 ARG 40 70.116 -10.115 1.118 282 2HH1 ARG 40 2HH1 ARG 40 69.201 -9.521 2.461 283 1HH2 ARG 40 1HH2 ARG 40 68.247 -6.553 0.889 284 2HH2 ARG 40 2HH2 ARG 40 68.143 -7.502 2.334 285 H GLN 41 HN GLN 41 76.024 -7.338 -1.925 286 HA GLN 41 HA GLN 41 76.444 -7.267 -4.767 287 1HB GLN 41 HB2 GLN 41 75.947 -4.818 -3.096 288 2HB GLN 41 HB1 GLN 41 76.725 -4.754 -4.671 289 1HG GLN 41 HG2 GLN 41 74.180 -6.210 -4.607 290 2HG GLN 41 HG1 GLN 41 74.068 -4.488 -4.249 291 1HE2 GLN 41 1HE2 GLN 41 75.692 -6.662 -6.537 292 2HE2 GLN 41 2HE2 GLN 41 75.431 -5.673 -7.929 293 H ALA 42 HN ALA 42 77.640 -7.100 -1.570 294 HA ALA 42 HA ALA 42 79.740 -7.202 -0.713 295 1HB ALA 42 HB1 ALA 42 81.598 -7.844 -2.152 296 2HB ALA 42 HB2 ALA 42 80.611 -7.543 -3.581 297 3HB ALA 42 HB3 ALA 42 80.180 -8.845 -2.470 298 H ASN 43 HN ASN 43 81.858 -6.009 -0.678 299 HA ASN 43 HA ASN 43 81.378 -3.230 -0.834 300 1HB ASN 43 HB2 ASN 43 83.770 -4.927 -0.224 301 2HB ASN 43 HB1 ASN 43 83.982 -3.197 -0.474 302 1HD2 ASN 43 1HD2 ASN 43 83.028 -1.746 0.974 303 2HD2 ASN 43 2HD2 ASN 43 82.516 -2.241 2.547
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