NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
522913 | 2l8d | 17402 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 5.266 -6.262 -2.761 2 HA2 GLY 1 2HA GLY 1 5.623 -5.155 -4.810 3 HA3 GLY 1 1HA GLY 1 3.880 -4.967 -5.001 4 H ALA 2 H ALA 2 6.605 -3.410 -4.105 5 HA ALA 2 HA ALA 2 5.275 -1.750 -2.097 6 HB1 ALA 2 1HB ALA 2 7.491 -0.791 -1.705 7 HB2 ALA 2 2HB ALA 2 8.151 -1.756 -3.023 8 HB3 ALA 2 3HB ALA 2 7.542 -2.550 -1.571 9 H MET 3 H MET 3 5.964 -1.890 -5.382 10 HA MET 3 HA MET 3 5.562 -0.603 -7.129 11 HB2 MET 3 1HB MET 3 4.201 1.188 -5.130 12 HB3 MET 3 2HB MET 3 4.388 1.693 -6.800 13 HG2 MET 3 1HG MET 3 2.197 0.734 -6.448 14 HG3 MET 3 2HG MET 3 3.137 -0.275 -7.539 15 HE1 MET 3 3HE MET 3 0.481 -1.321 -6.292 16 HE2 MET 3 1HE MET 3 0.950 -2.941 -5.781 17 HE3 MET 3 2HE MET 3 1.539 -2.300 -7.314 18 H GLY 4 H GLY 4 6.752 1.530 -4.588 19 HA2 GLY 4 1HA GLY 4 8.634 2.635 -6.546 20 HA3 GLY 4 2HA GLY 4 8.269 3.320 -4.957 21 H MET 5 H MET 5 10.011 0.820 -6.673 22 HA MET 5 HA MET 5 11.907 0.631 -4.511 23 HB2 MET 5 1HB MET 5 10.032 -0.884 -3.803 24 HB3 MET 5 2HB MET 5 10.324 -1.842 -5.243 25 HG2 MET 5 1HG MET 5 11.357 -2.969 -3.444 26 HG3 MET 5 2HG MET 5 12.651 -2.233 -4.384 27 HE1 MET 5 3HE MET 5 13.983 -2.094 -0.692 28 HE2 MET 5 1HE MET 5 14.309 -2.629 -2.342 29 HE3 MET 5 2HE MET 5 12.991 -3.360 -1.425 30 HA PRO 6 HA PRO 6 13.794 -0.501 -8.613 31 HB2 PRO 6 1HB PRO 6 15.696 1.421 -8.696 32 HB3 PRO 6 2HB PRO 6 14.058 1.699 -9.298 33 HG2 PRO 6 1HG PRO 6 15.274 2.508 -6.684 34 HG3 PRO 6 2HG PRO 6 14.207 3.432 -7.754 35 HD2 PRO 6 1HD PRO 6 13.339 2.149 -5.506 36 HD3 PRO 6 2HD PRO 6 12.311 2.437 -6.922 37 H ASN 7 H ASN 7 14.873 0.141 -5.433 38 HA ASN 7 HA ASN 7 16.557 -2.030 -5.027 39 HB2 ASN 7 1HB ASN 7 18.154 -0.856 -6.581 40 HB3 ASN 7 2HB ASN 7 18.115 0.549 -5.531 41 HD21 ASN 7 2HD2 ASN 7 19.354 -2.658 -5.970 42 HD22 ASN 7 1HD2 ASN 7 20.484 -2.619 -4.667 43 H ARG 8 H ARG 8 16.390 1.392 -4.518 44 HA ARG 8 HA ARG 8 15.949 1.026 -1.638 45 HB2 ARG 8 1HB ARG 8 16.391 3.559 -3.274 46 HB3 ARG 8 2HB ARG 8 16.097 3.530 -1.553 47 HG2 ARG 8 1HG ARG 8 18.361 3.911 -1.765 48 HG3 ARG 8 2HG ARG 8 18.252 2.199 -1.381 49 HD2 ARG 8 1HD ARG 8 19.873 2.562 -3.087 50 HD3 ARG 8 2HD ARG 8 18.492 1.687 -3.764 51 HE ARG 8 HE ARG 8 17.877 4.202 -4.376 52 HH11 ARG 8 1HH1 ARG 8 20.927 2.453 -4.736 53 HH12 ARG 8 2HH1 ARG 8 21.474 3.330 -6.070 54 HH21 ARG 8 1HH2 ARG 8 18.655 5.454 -6.217 55 HH22 ARG 8 2HH2 ARG 8 20.161 5.115 -6.920 56 H LYS 9 H LYS 9 14.256 3.195 -1.265 57 HA LYS 9 HA LYS 9 11.892 2.299 -2.661 58 HB2 LYS 9 1HB LYS 9 11.759 2.920 -0.292 59 HB3 LYS 9 2HB LYS 9 12.300 4.546 -0.668 60 HG2 LYS 9 1HG LYS 9 10.259 5.016 -1.860 61 HG3 LYS 9 2HG LYS 9 9.722 3.347 -1.682 62 HD2 LYS 9 1HD LYS 9 10.276 5.180 0.650 63 HD3 LYS 9 2HD LYS 9 8.684 4.992 -0.079 64 HE2 LYS 9 1HE LYS 9 10.309 2.724 1.099 65 HE3 LYS 9 2HE LYS 9 9.012 3.561 1.933 66 HZ1 LYS 9 3HZ LYS 9 8.236 1.523 0.911 67 HZ2 LYS 9 1HZ LYS 9 8.708 2.064 -0.608 68 HZ3 LYS 9 2HZ LYS 9 7.490 2.860 0.219 69 H TYR 10 H TYR 10 14.206 4.852 -2.824 70 HA TYR 10 HA TYR 10 12.898 5.844 -5.245 71 HB2 TYR 10 1HB TYR 10 14.371 7.477 -3.162 72 HB3 TYR 10 2HB TYR 10 13.839 8.100 -4.725 73 HD1 TYR 10 HD1 TYR 10 11.512 8.379 -5.205 74 HD2 TYR 10 HD2 TYR 10 12.780 7.002 -1.417 75 HE1 TYR 10 HE1 TYR 10 9.240 8.742 -4.331 76 HE2 TYR 10 HE2 TYR 10 10.553 7.343 -0.514 77 HH TYR 10 HH TYR 10 8.519 8.709 -1.038 78 H ALA 11 H ALA 11 14.387 6.885 -6.765 79 HA ALA 11 HA ALA 11 16.740 5.241 -7.121 80 HB1 ALA 11 1HB ALA 11 15.505 7.422 -8.817 81 HB2 ALA 11 2HB ALA 11 15.272 5.687 -9.023 82 HB3 ALA 11 3HB ALA 11 16.856 6.405 -9.313 83 H ASP 12 H ASP 12 18.504 7.003 -8.357 84 HA ASP 12 HA ASP 12 18.876 9.132 -6.419 85 HB2 ASP 12 1HB ASP 12 21.306 8.812 -6.317 86 HB3 ASP 12 2HB ASP 12 20.495 7.339 -5.818 87 H GLY 13 H GLY 13 19.541 11.087 -7.216 88 HA2 GLY 13 1HA GLY 13 20.115 12.598 -8.878 89 HA3 GLY 13 2HA GLY 13 19.980 11.318 -10.087 90 H GLU 14 H GLU 14 17.433 10.851 -8.220 91 HA GLU 14 HA GLU 14 15.630 11.821 -10.220 92 HB2 GLU 14 1HB GLU 14 15.427 9.566 -9.487 93 HB3 GLU 14 2HB GLU 14 15.354 10.044 -7.807 94 HG2 GLU 14 1HG GLU 14 13.170 10.782 -8.003 95 HG3 GLU 14 2HG GLU 14 13.254 10.880 -9.759 96 H VAL 15 H VAL 15 14.121 13.461 -9.980 97 HA VAL 15 HA VAL 15 14.331 14.965 -7.508 98 HB VAL 15 HB VAL 15 14.475 16.337 -9.514 99 HG11 VAL 15 1HG1 VAL 15 12.658 16.527 -11.125 100 HG12 VAL 15 2HG1 VAL 15 11.817 15.200 -10.308 101 HG13 VAL 15 3HG1 VAL 15 13.383 14.918 -11.076 102 HG21 VAL 15 3HG2 VAL 15 13.319 17.381 -7.636 103 HG22 VAL 15 1HG2 VAL 15 11.782 16.743 -8.213 104 HG23 VAL 15 2HG2 VAL 15 12.649 17.946 -9.167 105 H VAL 16 H VAL 16 12.878 15.022 -6.010 106 HA VAL 16 HA VAL 16 10.294 13.715 -6.367 107 HB VAL 16 HB VAL 16 10.668 12.595 -4.092 108 HG11 VAL 16 1HG1 VAL 16 12.378 11.709 -6.410 109 HG12 VAL 16 2HG1 VAL 16 10.674 11.307 -6.171 110 HG13 VAL 16 3HG1 VAL 16 11.897 10.687 -5.056 111 HG21 VAL 16 3HG2 VAL 16 13.539 13.260 -4.758 112 HG22 VAL 16 1HG2 VAL 16 13.022 12.152 -3.482 113 HG23 VAL 16 2HG2 VAL 16 12.607 13.863 -3.387 114 H MET 17 H MET 17 9.211 13.907 -3.974 115 HA MET 17 HA MET 17 9.544 16.715 -3.167 116 HB2 MET 17 1HB MET 17 7.184 14.850 -2.729 117 HB3 MET 17 2HB MET 17 7.288 16.496 -2.142 118 HG2 MET 17 1HG MET 17 7.185 15.632 -5.020 119 HG3 MET 17 2HG MET 17 5.859 16.312 -4.095 120 HE1 MET 17 3HE MET 17 7.053 20.010 -3.527 121 HE2 MET 17 1HE MET 17 7.329 18.649 -2.441 122 HE3 MET 17 2HE MET 17 5.772 18.834 -3.245 123 H GLY 18 H GLY 18 10.204 17.038 -1.109 124 HA2 GLY 18 1HA GLY 18 10.379 14.650 0.639 125 HA3 GLY 18 2HA GLY 18 11.733 15.664 0.377 126 H ARG 19 H ARG 19 9.830 15.019 2.637 127 HA ARG 19 HA ARG 19 8.575 17.455 3.450 128 HB2 ARG 19 1HB ARG 19 7.817 15.186 4.120 129 HB3 ARG 19 2HB ARG 19 9.295 14.978 5.034 130 HG2 ARG 19 1HG ARG 19 8.586 17.015 6.362 131 HG3 ARG 19 2HG ARG 19 7.012 16.841 5.580 132 HD2 ARG 19 1HD ARG 19 8.412 14.734 7.208 133 HD3 ARG 19 2HD ARG 19 7.092 15.750 7.782 134 HE ARG 19 HE ARG 19 5.798 14.620 5.904 135 HH11 ARG 19 1HH1 ARG 19 8.552 12.941 7.408 136 HH12 ARG 19 2HH1 ARG 19 7.751 11.454 7.549 137 HH21 ARG 19 1HH2 ARG 19 4.731 12.462 6.017 138 HH22 ARG 19 2HH2 ARG 19 5.577 11.166 6.692 139 H TRP 20 H TRP 20 9.349 18.954 4.887 140 HA TRP 20 HA TRP 20 12.181 18.932 5.422 141 HB2 TRP 20 1HB TRP 20 10.813 21.050 4.893 142 HB3 TRP 20 2HB TRP 20 10.143 20.906 6.515 143 HD1 TRP 20 HD1 TRP 20 11.787 21.461 8.578 144 HE1 TRP 20 HE1 TRP 20 14.057 22.704 8.680 145 HE3 TRP 20 HE3 TRP 20 12.926 21.528 3.607 146 HZ2 TRP 20 HZ2 TRP 20 16.035 23.584 6.896 147 HZ3 TRP 20 HZ3 TRP 20 15.029 22.597 2.887 148 HH2 TRP 20 HH2 TRP 20 16.529 23.587 4.451 149 HA PRO 21 HA PRO 21 12.060 16.194 8.895 150 HB2 PRO 21 1HB PRO 21 13.884 18.175 10.128 151 HB3 PRO 21 2HB PRO 21 14.056 16.431 9.953 152 HG2 PRO 21 1HG PRO 21 15.275 18.279 8.337 153 HG3 PRO 21 2HG PRO 21 14.956 16.600 7.884 154 HD2 PRO 21 1HD PRO 21 13.784 19.017 6.825 155 HD3 PRO 21 2HD PRO 21 13.556 17.349 6.279 156 H GLY 22 H GLY 22 11.994 19.633 9.902 157 HA2 GLY 22 1HA GLY 22 10.614 18.841 12.341 158 HA3 GLY 22 2HA GLY 22 11.208 20.446 11.957 159 H SER 23 H SER 23 9.599 19.668 9.264 160 HA SER 23 HA SER 23 7.112 20.830 10.280 161 HB2 SER 23 1HB SER 23 8.434 22.377 8.872 162 HB3 SER 23 2HB SER 23 8.433 21.188 7.577 163 HG SER 23 HG SER 23 6.615 23.036 8.162 164 H VAL 24 H VAL 24 5.338 20.390 8.517 165 HA VAL 24 HA VAL 24 5.473 17.573 7.666 166 HB VAL 24 HB VAL 24 3.015 17.631 7.459 167 HG11 VAL 24 1HG1 VAL 24 3.951 16.873 9.535 168 HG12 VAL 24 2HG1 VAL 24 2.460 17.763 9.842 169 HG13 VAL 24 3HG1 VAL 24 4.022 18.522 10.146 170 HG21 VAL 24 3HG2 VAL 24 3.229 20.455 8.534 171 HG22 VAL 24 1HG2 VAL 24 1.724 19.547 8.360 172 HG23 VAL 24 2HG2 VAL 24 2.667 19.977 6.936 173 H LEU 25 H LEU 25 6.057 20.517 6.561 174 HA LEU 25 HA LEU 25 4.720 20.589 4.055 175 HB2 LEU 25 1HB LEU 25 7.096 22.014 5.076 176 HB3 LEU 25 2HB LEU 25 6.374 22.278 3.501 177 HG LEU 25 HG LEU 25 5.222 22.893 6.203 178 HD11 LEU 25 1HD1 LEU 25 6.696 24.468 5.139 179 HD12 LEU 25 2HD1 LEU 25 4.997 25.066 5.084 180 HD13 LEU 25 3HD1 LEU 25 5.730 24.231 3.679 181 HD21 LEU 25 3HD2 LEU 25 3.414 21.830 4.941 182 HD22 LEU 25 1HD2 LEU 25 3.805 22.834 3.537 183 HD23 LEU 25 2HD2 LEU 25 3.175 23.576 5.007 184 H TYR 26 H TYR 26 5.432 20.147 2.100 185 HA TYR 26 HA TYR 26 7.887 18.574 1.875 186 HB2 TYR 26 1HB TYR 26 5.263 18.343 0.402 187 HB3 TYR 26 2HB TYR 26 6.750 17.681 -0.253 188 HD1 TYR 26 HD2 TYR 26 4.595 17.541 2.798 189 HD2 TYR 26 HD1 TYR 26 7.372 15.528 0.293 190 HE1 TYR 26 HE2 TYR 26 4.257 15.463 4.090 191 HE2 TYR 26 HE1 TYR 26 7.038 13.463 1.565 192 HH TYR 26 HH TYR 26 6.257 12.751 3.807 193 H TYR 27 H TYR 27 9.367 19.275 0.584 194 HA TYR 27 HA TYR 27 8.719 21.458 -1.250 195 HB2 TYR 27 1HB TYR 27 11.137 20.971 0.448 196 HB3 TYR 27 2HB TYR 27 11.208 22.059 -0.934 197 HD1 TYR 27 HD2 TYR 27 9.807 21.550 2.457 198 HD2 TYR 27 HD1 TYR 27 10.187 24.232 -0.827 199 HE1 TYR 27 HE2 TYR 27 8.980 23.400 3.870 200 HE2 TYR 27 HE1 TYR 27 9.376 26.071 0.567 201 HH TYR 27 HH TYR 27 9.122 25.831 3.943 202 H GLU 28 H GLU 28 10.643 21.523 -2.950 203 HA GLU 28 HA GLU 28 10.497 18.856 -4.115 204 HB2 GLU 28 1HB GLU 28 9.574 20.753 -5.398 205 HB3 GLU 28 2HB GLU 28 11.153 21.526 -5.374 206 HG2 GLU 28 1HG GLU 28 12.072 19.743 -6.722 207 HG3 GLU 28 2HG GLU 28 10.540 18.876 -6.668 208 H VAL 29 H VAL 29 12.268 17.651 -4.289 209 HA VAL 29 HA VAL 29 14.877 18.931 -3.874 210 HB VAL 29 HB VAL 29 15.551 17.156 -2.326 211 HG11 VAL 29 1HG1 VAL 29 13.061 18.561 -1.424 212 HG12 VAL 29 2HG1 VAL 29 14.704 19.194 -1.366 213 HG13 VAL 29 3HG1 VAL 29 14.254 17.807 -0.370 214 HG21 VAL 29 3HG2 VAL 29 12.678 16.241 -2.453 215 HG22 VAL 29 1HG2 VAL 29 13.894 15.637 -1.323 216 HG23 VAL 29 2HG2 VAL 29 14.088 15.370 -3.056 217 H GLN 30 H GLN 30 16.642 17.520 -4.501 218 HA GLN 30 HA GLN 30 15.790 15.347 -6.291 219 HB2 GLN 30 1HB GLN 30 16.741 17.345 -7.482 220 HB3 GLN 30 2HB GLN 30 18.228 17.122 -6.578 221 HG2 GLN 30 1HG GLN 30 18.462 14.875 -7.621 222 HG3 GLN 30 2HG GLN 30 17.024 15.219 -8.566 223 HE21 GLN 30 2HE2 GLN 30 18.204 15.033 -10.484 224 HE22 GLN 30 1HE2 GLN 30 19.252 16.317 -10.998 225 H VAL 31 H VAL 31 16.631 13.453 -5.805 226 HA VAL 31 HA VAL 31 18.143 13.202 -3.391 227 HB VAL 31 HB VAL 31 16.399 11.517 -3.994 228 HG11 VAL 31 1HG1 VAL 31 16.785 9.861 -5.667 229 HG12 VAL 31 2HG1 VAL 31 18.072 10.903 -6.313 230 HG13 VAL 31 3HG1 VAL 31 16.416 11.483 -6.235 231 HG21 VAL 31 3HG2 VAL 31 19.155 10.299 -3.876 232 HG22 VAL 31 1HG2 VAL 31 17.643 9.469 -3.521 233 HG23 VAL 31 2HG2 VAL 31 18.192 10.784 -2.480 234 H THR 32 H THR 32 20.323 13.082 -3.111 235 HA THR 32 HA THR 32 21.863 12.916 -5.527 236 HB THR 32 HB THR 32 23.588 13.923 -3.991 237 HG1 THR 32 HG1 THR 32 22.885 14.880 -2.143 238 HG21 THR 32 3HG2 THR 32 21.105 15.522 -4.630 239 HG22 THR 32 1HG2 THR 32 22.454 15.232 -5.727 240 HG23 THR 32 2HG2 THR 32 22.690 16.211 -4.281 241 H SER 33 H SER 33 21.656 11.733 -2.154 242 HA SER 33 HA SER 33 23.211 9.416 -2.970 243 HB2 SER 33 1HB SER 33 24.119 11.220 -0.708 244 HB3 SER 33 2HB SER 33 24.848 9.666 -1.134 245 HG SER 33 HG SER 33 24.709 10.987 -3.344 246 H TYR 34 H TYR 34 23.543 7.994 -0.699 247 HA TYR 34 HA TYR 34 21.095 8.013 0.796 248 HB2 TYR 34 1HB TYR 34 20.182 7.005 -1.116 249 HB3 TYR 34 2HB TYR 34 21.624 6.056 -1.418 250 HD1 TYR 34 HD1 TYR 34 18.795 6.396 1.009 251 HD2 TYR 34 HD2 TYR 34 21.697 3.845 -0.773 252 HE1 TYR 34 HE1 TYR 34 17.735 4.440 2.072 253 HE2 TYR 34 HE2 TYR 34 20.659 1.903 0.289 254 HH TYR 34 HH TYR 34 19.250 1.320 2.004 255 H ASP 35 H ASP 35 21.490 7.304 2.719 256 HA ASP 35 HA ASP 35 23.853 5.701 3.431 257 HB2 ASP 35 1HB ASP 35 23.116 7.647 4.870 258 HB3 ASP 35 2HB ASP 35 21.576 6.828 5.087 259 H ASP 36 H ASP 36 23.636 3.539 3.513 260 HA ASP 36 HA ASP 36 20.952 2.473 3.052 261 HB2 ASP 36 1HB ASP 36 22.000 0.497 2.216 262 HB3 ASP 36 2HB ASP 36 22.816 1.883 1.500 263 H ALA 37 H ALA 37 23.157 2.811 5.544 264 HA ALA 37 HA ALA 37 22.537 0.330 6.852 265 HB1 ALA 37 1HB ALA 37 24.751 1.355 7.121 266 HB2 ALA 37 2HB ALA 37 23.924 1.182 8.672 267 HB3 ALA 37 3HB ALA 37 23.999 2.755 7.884 268 H SER 38 H SER 38 21.864 3.768 7.429 269 HA SER 38 HA SER 38 19.827 2.920 9.356 270 HB2 SER 38 1HB SER 38 20.987 5.653 8.843 271 HB3 SER 38 2HB SER 38 19.941 5.188 10.196 272 HG SER 38 HG SER 38 22.552 4.339 9.589 273 H HIS 39 H HIS 39 20.068 3.543 6.212 274 HA HIS 39 HA HIS 39 18.732 4.062 4.513 275 HB2 HIS 39 1HB HIS 39 16.463 3.506 6.447 276 HB3 HIS 39 2HB HIS 39 16.292 3.645 4.702 277 HD1 HIS 39 HD1 HIS 39 17.457 1.635 3.271 278 HD2 HIS 39 HD2 HIS 39 17.213 1.056 7.384 279 HE1 HIS 39 HE1 HIS 39 17.780 -0.812 3.646 280 H LEU 40 H LEU 40 19.639 6.134 4.712 281 HA LEU 40 HA LEU 40 17.613 8.247 5.143 282 HB2 LEU 40 1HB LEU 40 20.541 8.290 5.903 283 HB3 LEU 40 2HB LEU 40 19.742 9.766 5.451 284 HG LEU 40 HG LEU 40 19.956 9.581 7.841 285 HD11 LEU 40 1HD1 LEU 40 17.105 9.322 6.976 286 HD12 LEU 40 2HD1 LEU 40 18.071 10.793 7.051 287 HD13 LEU 40 3HD1 LEU 40 17.656 9.935 8.533 288 HD21 LEU 40 3HD2 LEU 40 18.295 7.084 7.642 289 HD22 LEU 40 1HD2 LEU 40 18.759 7.902 9.138 290 HD23 LEU 40 2HD2 LEU 40 19.996 7.195 8.096 291 H TYR 41 H TYR 41 17.473 9.726 3.480 292 HA TYR 41 HA TYR 41 19.193 9.096 1.196 293 HB2 TYR 41 1HB TYR 41 16.405 10.263 1.300 294 HB3 TYR 41 2HB TYR 41 17.367 10.154 -0.163 295 HD1 TYR 41 HD1 TYR 41 16.121 7.949 2.584 296 HD2 TYR 41 HD2 TYR 41 16.948 8.336 -1.570 297 HE1 TYR 41 HE1 TYR 41 15.175 5.736 2.198 298 HE2 TYR 41 HE2 TYR 41 15.994 6.099 -1.967 299 HH TYR 41 HH TYR 41 14.243 4.467 0.540 300 H THR 42 H THR 42 20.467 10.677 0.498 301 HA THR 42 HA THR 42 20.267 13.238 1.871 302 HB THR 42 HB THR 42 22.348 12.270 -0.103 303 HG1 THR 42 HG1 THR 42 21.807 11.478 2.427 304 HG21 THR 42 3HG2 THR 42 22.427 14.350 2.099 305 HG22 THR 42 1HG2 THR 42 22.334 14.690 0.372 306 HG23 THR 42 2HG2 THR 42 23.777 13.929 1.044 307 H VAL 43 H VAL 43 19.429 14.897 0.800 308 HA VAL 43 HA VAL 43 18.990 14.682 -2.078 309 HB VAL 43 HB VAL 43 16.763 15.703 -1.794 310 HG11 VAL 43 1HG1 VAL 43 17.101 13.143 -0.243 311 HG12 VAL 43 2HG1 VAL 43 16.788 13.296 -1.974 312 HG13 VAL 43 3HG1 VAL 43 15.561 13.777 -0.810 313 HG21 VAL 43 3HG2 VAL 43 15.692 15.824 0.424 314 HG22 VAL 43 1HG2 VAL 43 17.103 16.879 0.314 315 HG23 VAL 43 2HG2 VAL 43 17.219 15.343 1.171 316 H LYS 44 H LYS 44 18.686 16.779 -3.041 317 HA LYS 44 HA LYS 44 19.852 18.908 -1.419 318 HB2 LYS 44 1HB LYS 44 21.415 18.147 -3.119 319 HB3 LYS 44 2HB LYS 44 20.214 18.387 -4.371 320 HG2 LYS 44 1HG LYS 44 20.301 20.770 -4.102 321 HG3 LYS 44 2HG LYS 44 21.334 20.619 -2.680 322 HD2 LYS 44 1HD LYS 44 22.129 19.587 -5.390 323 HD3 LYS 44 2HD LYS 44 22.494 21.226 -4.858 324 HE2 LYS 44 1HE LYS 44 23.338 18.767 -3.298 325 HE3 LYS 44 2HE LYS 44 24.346 19.517 -4.529 326 HZ1 LYS 44 3HZ LYS 44 24.622 21.381 -3.313 327 HZ2 LYS 44 1HZ LYS 44 24.729 20.252 -2.103 328 HZ3 LYS 44 2HZ LYS 44 23.324 21.193 -2.299 329 H TYR 45 H TYR 45 18.781 20.797 -1.355 330 HA TYR 45 HA TYR 45 16.130 20.882 -2.518 331 HB2 TYR 45 1HB TYR 45 17.556 22.465 -0.399 332 HB3 TYR 45 2HB TYR 45 16.034 23.043 -1.043 333 HD1 TYR 45 HD1 TYR 45 17.634 20.204 0.730 334 HD2 TYR 45 HD2 TYR 45 14.010 22.171 -0.291 335 HE1 TYR 45 HE1 TYR 45 16.409 18.782 2.322 336 HE2 TYR 45 HE2 TYR 45 12.790 20.757 1.292 337 HH TYR 45 HH TYR 45 13.027 18.568 2.392 338 H LYS 46 H LYS 46 15.353 22.964 -3.320 339 HA LYS 46 HA LYS 46 16.695 23.896 -5.589 340 HB2 LYS 46 1HB LYS 46 14.265 23.977 -5.242 341 HB3 LYS 46 2HB LYS 46 14.487 25.144 -3.955 342 HG2 LYS 46 1HG LYS 46 15.383 26.741 -5.582 343 HG3 LYS 46 2HG LYS 46 15.079 25.565 -6.867 344 HD2 LYS 46 1HD LYS 46 12.726 25.594 -6.405 345 HD3 LYS 46 2HD LYS 46 12.973 26.637 -5.005 346 HE2 LYS 46 1HE LYS 46 13.883 28.359 -6.506 347 HE3 LYS 46 2HE LYS 46 13.505 27.335 -7.884 348 HZ1 LYS 46 3HZ LYS 46 11.761 28.967 -7.504 349 HZ2 LYS 46 1HZ LYS 46 11.565 28.411 -5.930 350 HZ3 LYS 46 2HZ LYS 46 11.164 27.417 -7.224 351 H ASP 47 H ASP 47 16.873 24.829 -2.302 352 HA ASP 47 HA ASP 47 18.040 27.432 -2.675 353 HB2 ASP 47 1HB ASP 47 17.780 25.688 -0.219 354 HB3 ASP 47 2HB ASP 47 18.446 27.314 -0.210 355 H GLY 48 H GLY 48 19.262 24.435 -3.228 356 HA2 GLY 48 1HA GLY 48 21.473 24.031 -3.900 357 HA3 GLY 48 2HA GLY 48 22.002 25.422 -2.962 358 H THR 49 H THR 49 20.680 24.779 -0.601 359 HA THR 49 HA THR 49 22.486 23.290 0.833 360 HB THR 49 HB THR 49 19.581 23.672 1.496 361 HG1 THR 49 HG1 THR 49 21.718 25.564 1.644 362 HG21 THR 49 3HG2 THR 49 20.446 23.973 3.769 363 HG22 THR 49 1HG2 THR 49 22.101 23.766 3.183 364 HG23 THR 49 2HG2 THR 49 20.961 22.420 3.116 365 H GLU 50 H GLU 50 22.639 21.096 1.267 366 HA GLU 50 HA GLU 50 20.476 19.419 0.283 367 HB2 GLU 50 1HB GLU 50 22.138 17.588 0.154 368 HB3 GLU 50 2HB GLU 50 22.564 18.932 -0.884 369 HG2 GLU 50 1HG GLU 50 23.775 18.399 1.819 370 HG3 GLU 50 2HG GLU 50 24.467 17.895 0.277 371 H LEU 51 H LEU 51 19.903 17.607 1.541 372 HA LEU 51 HA LEU 51 20.476 17.871 4.409 373 HB2 LEU 51 1HB LEU 51 18.467 19.208 3.704 374 HB3 LEU 51 2HB LEU 51 17.762 17.694 3.180 375 HG LEU 51 HG LEU 51 17.900 16.902 5.540 376 HD11 LEU 51 1HD1 LEU 51 18.137 18.584 7.292 377 HD12 LEU 51 2HD1 LEU 51 18.535 19.798 6.076 378 HD13 LEU 51 3HD1 LEU 51 19.619 18.437 6.347 379 HD21 LEU 51 3HD2 LEU 51 15.853 17.692 4.543 380 HD22 LEU 51 1HD2 LEU 51 16.267 19.358 4.953 381 HD23 LEU 51 2HD2 LEU 51 15.950 18.186 6.234 382 H ALA 52 H ALA 52 19.854 15.846 5.576 383 HA ALA 52 HA ALA 52 19.339 13.629 3.734 384 HB1 ALA 52 1HB ALA 52 20.294 12.151 5.431 385 HB2 ALA 52 2HB ALA 52 20.546 13.524 6.500 386 HB3 ALA 52 3HB ALA 52 21.463 13.401 4.994 387 H LEU 53 H LEU 53 17.524 12.509 4.037 388 HA LEU 53 HA LEU 53 16.060 12.821 6.498 389 HB2 LEU 53 1HB LEU 53 13.914 13.104 5.034 390 HB3 LEU 53 2HB LEU 53 14.878 14.488 5.490 391 HG LEU 53 HG LEU 53 15.898 14.538 3.252 392 HD11 LEU 53 1HD1 LEU 53 14.067 12.289 2.637 393 HD12 LEU 53 2HD1 LEU 53 15.846 12.214 2.717 394 HD13 LEU 53 3HD1 LEU 53 15.027 13.211 1.491 395 HD21 LEU 53 3HD2 LEU 53 13.870 15.038 1.950 396 HD22 LEU 53 1HD2 LEU 53 13.908 15.848 3.543 397 HD23 LEU 53 2HD2 LEU 53 12.936 14.389 3.294 398 H LYS 54 H LYS 54 13.995 11.389 6.420 399 HA LYS 54 HA LYS 54 15.011 8.738 5.801 400 HB2 LYS 54 1HB LYS 54 12.518 9.695 7.204 401 HB3 LYS 54 2HB LYS 54 12.813 8.006 6.866 402 HG2 LYS 54 1HG LYS 54 14.621 9.744 8.543 403 HG3 LYS 54 2HG LYS 54 13.347 8.717 9.194 404 HD2 LYS 54 1HD LYS 54 15.742 7.749 7.599 405 HD3 LYS 54 2HD LYS 54 15.572 7.653 9.349 406 HE2 LYS 54 1HE LYS 54 13.563 6.226 9.024 407 HE3 LYS 54 2HE LYS 54 13.844 6.266 7.288 408 HZ1 LYS 54 3HZ LYS 54 14.760 4.244 8.182 409 HZ2 LYS 54 1HZ LYS 54 15.627 5.085 9.343 410 HZ3 LYS 54 2HZ LYS 54 16.062 5.227 7.749 411 H GLU 55 H GLU 55 13.635 7.187 4.674 412 HA GLU 55 HA GLU 55 12.689 8.154 2.222 413 HB2 GLU 55 1HB GLU 55 11.543 5.736 2.239 414 HB3 GLU 55 2HB GLU 55 13.238 5.965 1.891 415 HG2 GLU 55 1HG GLU 55 12.928 4.096 3.398 416 HG3 GLU 55 2HG GLU 55 13.763 5.388 4.247 417 H SER 56 H SER 56 11.138 7.597 5.215 418 HA SER 56 HA SER 56 8.452 7.731 4.382 419 HB2 SER 56 1HB SER 56 9.674 8.456 7.041 420 HB3 SER 56 2HB SER 56 7.985 8.033 6.738 421 HG SER 56 HG SER 56 10.229 6.294 6.296 422 H ASP 57 H ASP 57 10.862 10.152 4.519 423 HA ASP 57 HA ASP 57 8.915 12.296 4.807 424 HB2 ASP 57 1HB ASP 57 11.928 12.341 4.584 425 HB3 ASP 57 2HB ASP 57 10.949 13.796 4.620 426 H ILE 58 H ILE 58 10.250 10.363 2.418 427 HA ILE 58 HA ILE 58 10.148 12.540 0.473 428 HB ILE 58 HB ILE 58 11.331 9.774 0.143 429 HG12 ILE 58 1HG1 ILE 58 12.610 12.466 0.538 430 HG13 ILE 58 2HG1 ILE 58 12.615 11.114 1.666 431 HG21 ILE 58 1HG2 ILE 58 11.419 12.187 -1.670 432 HG22 ILE 58 2HG2 ILE 58 10.485 10.719 -1.959 433 HG23 ILE 58 3HG2 ILE 58 12.250 10.657 -1.950 434 HD11 ILE 58 3HD1 ILE 58 13.968 9.811 0.139 435 HD12 ILE 58 1HD1 ILE 58 14.703 11.376 0.509 436 HD13 ILE 58 2HD1 ILE 58 13.902 11.136 -1.045 437 H ARG 59 H ARG 59 8.735 12.574 -1.019 438 HA ARG 59 HA ARG 59 7.208 10.154 -1.572 439 HB2 ARG 59 1HB ARG 59 5.991 12.891 -1.173 440 HB3 ARG 59 2HB ARG 59 5.140 11.573 -1.965 441 HG2 ARG 59 1HG ARG 59 5.475 10.215 0.110 442 HG3 ARG 59 2HG ARG 59 6.118 11.661 0.879 443 HD2 ARG 59 1HD ARG 59 4.015 12.813 0.494 444 HD3 ARG 59 2HD ARG 59 3.369 11.383 -0.317 445 HE ARG 59 HE ARG 59 4.209 11.416 2.502 446 HH11 ARG 59 1HH1 ARG 59 1.932 10.351 -0.015 447 HH12 ARG 59 2HH1 ARG 59 0.912 9.526 1.058 448 HH21 ARG 59 1HH2 ARG 59 2.803 10.259 3.974 449 HH22 ARG 59 2HH2 ARG 59 1.404 9.488 3.385 450 H LEU 60 H LEU 60 5.984 10.384 -3.665 451 HA LEU 60 HA LEU 60 7.836 10.764 -5.744 452 HB2 LEU 60 1HB LEU 60 4.824 10.684 -5.878 453 HB3 LEU 60 2HB LEU 60 5.893 10.526 -7.250 454 HG LEU 60 HG LEU 60 5.726 8.568 -4.951 455 HD11 LEU 60 1HD1 LEU 60 4.612 7.108 -6.565 456 HD12 LEU 60 2HD1 LEU 60 4.638 8.408 -7.756 457 HD13 LEU 60 3HD1 LEU 60 3.687 8.582 -6.279 458 HD21 LEU 60 3HD2 LEU 60 7.062 7.125 -6.408 459 HD22 LEU 60 1HD2 LEU 60 7.927 8.610 -6.019 460 HD23 LEU 60 2HD2 LEU 60 7.165 8.420 -7.598 461 H GLN 61 H GLN 61 7.871 12.330 -7.460 462 HA GLN 61 HA GLN 61 7.814 15.022 -6.749 463 HB2 GLN 61 1HB GLN 61 8.956 13.921 -8.750 464 HB3 GLN 61 2HB GLN 61 7.392 13.987 -9.550 465 HG2 GLN 61 1HG GLN 61 7.415 16.435 -9.294 466 HG3 GLN 61 2HG GLN 61 9.036 16.316 -8.606 467 HE21 GLN 61 2HE2 GLN 61 8.207 17.698 -10.984 468 HE22 GLN 61 1HE2 GLN 61 9.132 17.034 -12.271 469 H SER 62 H SER 62 5.415 12.994 -8.247 470 HA SER 62 HA SER 62 3.365 14.766 -7.275 471 HB2 SER 62 1HB SER 62 3.495 15.310 -9.680 472 HB3 SER 62 2HB SER 62 3.375 13.594 -10.078 473 HG SER 62 HG SER 62 1.389 15.103 -9.980 474 H SER 63 H SER 63 1.744 13.596 -6.355 475 HA SER 63 HA SER 63 2.285 10.836 -5.911 476 HB2 SER 63 1HB SER 63 1.318 12.472 -4.217 477 HB3 SER 63 2HB SER 63 -0.189 12.406 -5.126 478 HG SER 63 HG SER 63 1.086 10.392 -3.629 479 H PHE 64 H PHE 64 0.723 12.564 -8.324 480 HA PHE 64 HA PHE 64 -1.008 10.357 -9.087 481 HB2 PHE 64 1HB PHE 64 -0.609 13.078 -10.378 482 HB3 PHE 64 2HB PHE 64 -1.794 11.874 -10.876 483 HD1 PHE 64 HD1 PHE 64 -3.684 11.318 -9.376 484 HD2 PHE 64 HD2 PHE 64 -1.011 14.520 -8.541 485 HE1 PHE 64 HE1 PHE 64 -5.303 12.248 -7.778 486 HE2 PHE 64 HE2 PHE 64 -2.626 15.457 -6.938 487 HZ PHE 64 HZ PHE 64 -4.774 14.319 -6.556 488 H LYS 65 H LYS 65 0.312 8.809 -9.768 489 HA LYS 65 HA LYS 65 2.188 9.460 -11.925 490 HB2 LYS 65 1HB LYS 65 3.350 8.753 -9.845 491 HB3 LYS 65 2HB LYS 65 2.453 7.242 -9.885 492 HG2 LYS 65 1HG LYS 65 3.467 6.731 -12.074 493 HG3 LYS 65 2HG LYS 65 4.424 8.200 -11.941 494 HD2 LYS 65 1HD LYS 65 5.458 7.321 -9.895 495 HD3 LYS 65 2HD LYS 65 4.513 5.835 -10.075 496 HE2 LYS 65 1HE LYS 65 5.540 5.518 -12.315 497 HE3 LYS 65 2HE LYS 65 6.539 6.930 -12.002 498 HZ1 LYS 65 3HZ LYS 65 6.567 4.412 -10.441 499 HZ2 LYS 65 1HZ LYS 65 7.525 5.757 -10.115 500 HZ3 LYS 65 2HZ LYS 65 7.727 4.904 -11.542 501 H GLN 66 H GLN 66 1.954 8.310 -13.774 502 HA GLN 66 HA GLN 66 0.296 5.942 -13.734 503 HB2 GLN 66 1HB GLN 66 -1.159 7.894 -14.320 504 HB3 GLN 66 2HB GLN 66 -0.104 8.221 -15.688 505 HG2 GLN 66 1HG GLN 66 -0.641 6.054 -16.640 506 HG3 GLN 66 2HG GLN 66 -1.678 5.699 -15.261 507 HE21 GLN 66 2HE2 GLN 66 -2.328 5.800 -18.038 508 HE22 GLN 66 1HE2 GLN 66 -3.574 6.983 -18.231 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -1.144 10.380 3.425 2 HA2 GLY 1 2HA GLY 1 0.899 9.482 4.297 3 HA3 GLY 1 1HA GLY 1 -0.346 8.255 4.090 4 H ALA 2 H ALA 2 2.760 8.506 3.925 5 HA ALA 2 HA ALA 2 3.055 6.435 1.983 6 HB1 ALA 2 1HB ALA 2 3.231 8.360 0.500 7 HB2 ALA 2 2HB ALA 2 4.815 7.598 0.674 8 HB3 ALA 2 3HB ALA 2 4.443 9.086 1.547 9 H MET 3 H MET 3 4.172 5.066 3.097 10 HA MET 3 HA MET 3 5.831 5.838 5.318 11 HB2 MET 3 1HB MET 3 4.508 3.832 5.513 12 HB3 MET 3 2HB MET 3 5.206 3.171 4.046 13 HG2 MET 3 1HG MET 3 7.391 3.026 5.170 14 HG3 MET 3 2HG MET 3 6.651 3.644 6.646 15 HE1 MET 3 3HE MET 3 8.333 0.873 6.269 16 HE2 MET 3 1HE MET 3 7.404 -0.175 7.341 17 HE3 MET 3 2HE MET 3 7.763 1.482 7.820 18 H GLY 4 H GLY 4 6.266 4.720 2.054 19 HA2 GLY 4 1HA GLY 4 8.175 5.038 0.742 20 HA3 GLY 4 2HA GLY 4 9.104 5.377 2.207 21 H MET 5 H MET 5 10.454 3.715 0.795 22 HA MET 5 HA MET 5 9.858 1.093 1.943 23 HB2 MET 5 1HB MET 5 10.702 1.614 -0.918 24 HB3 MET 5 2HB MET 5 10.657 0.033 -0.163 25 HG2 MET 5 1HG MET 5 8.257 0.196 0.106 26 HG3 MET 5 2HG MET 5 8.270 1.824 -0.565 27 HE1 MET 5 3HE MET 5 9.260 -1.995 -2.988 28 HE2 MET 5 1HE MET 5 8.822 -1.997 -1.281 29 HE3 MET 5 2HE MET 5 10.363 -1.318 -1.797 30 HA PRO 6 HA PRO 6 14.230 1.303 3.103 31 HB2 PRO 6 1HB PRO 6 13.903 -1.661 3.044 32 HB3 PRO 6 2HB PRO 6 14.562 -0.639 4.327 33 HG2 PRO 6 1HG PRO 6 12.147 -1.716 4.567 34 HG3 PRO 6 2HG PRO 6 12.467 -0.069 5.132 35 HD2 PRO 6 1HD PRO 6 11.023 -0.980 2.679 36 HD3 PRO 6 2HD PRO 6 10.706 0.408 3.735 37 H ASN 7 H ASN 7 12.846 -0.860 0.703 38 HA ASN 7 HA ASN 7 15.260 -1.204 -0.836 39 HB2 ASN 7 1HB ASN 7 13.257 -2.750 -0.990 40 HB3 ASN 7 2HB ASN 7 12.362 -1.430 -1.730 41 HD21 ASN 7 2HD2 ASN 7 12.948 -4.057 -2.714 42 HD22 ASN 7 1HD2 ASN 7 13.780 -3.894 -4.201 43 H ARG 8 H ARG 8 16.072 0.205 -2.259 44 HA ARG 8 HA ARG 8 15.182 2.853 -2.020 45 HB2 ARG 8 1HB ARG 8 17.555 2.136 -2.163 46 HB3 ARG 8 2HB ARG 8 17.297 1.770 -3.860 47 HG2 ARG 8 1HG ARG 8 16.707 4.122 -4.246 48 HG3 ARG 8 2HG ARG 8 17.059 4.460 -2.552 49 HD2 ARG 8 1HD ARG 8 18.955 5.073 -3.909 50 HD3 ARG 8 2HD ARG 8 19.373 3.688 -2.904 51 HE ARG 8 HE ARG 8 18.700 2.412 -5.073 52 HH11 ARG 8 1HH1 ARG 8 20.630 5.355 -4.835 53 HH12 ARG 8 2HH1 ARG 8 21.421 5.143 -6.335 54 HH21 ARG 8 1HH2 ARG 8 19.794 2.065 -7.064 55 HH22 ARG 8 2HH2 ARG 8 20.941 3.174 -7.641 56 H LYS 9 H LYS 9 13.162 2.985 -2.882 57 HA LYS 9 HA LYS 9 12.508 2.575 -5.647 58 HB2 LYS 9 1HB LYS 9 10.744 2.598 -3.918 59 HB3 LYS 9 2HB LYS 9 11.227 4.203 -3.437 60 HG2 LYS 9 1HG LYS 9 9.163 4.317 -4.673 61 HG3 LYS 9 2HG LYS 9 10.449 5.105 -5.577 62 HD2 LYS 9 1HD LYS 9 9.070 3.817 -7.089 63 HD3 LYS 9 2HD LYS 9 10.660 3.075 -6.964 64 HE2 LYS 9 1HE LYS 9 9.811 1.362 -5.503 65 HE3 LYS 9 2HE LYS 9 8.253 2.172 -5.383 66 HZ1 LYS 9 3HZ LYS 9 7.870 1.715 -7.722 67 HZ2 LYS 9 1HZ LYS 9 8.194 0.287 -6.904 68 HZ3 LYS 9 2HZ LYS 9 9.376 0.977 -7.873 69 H TYR 10 H TYR 10 13.685 5.080 -3.625 70 HA TYR 10 HA TYR 10 13.582 7.052 -5.751 71 HB2 TYR 10 1HB TYR 10 14.568 7.453 -2.929 72 HB3 TYR 10 2HB TYR 10 14.016 8.677 -4.069 73 HD1 TYR 10 HD2 TYR 10 11.459 7.796 -4.995 74 HD2 TYR 10 HD1 TYR 10 13.132 7.330 -1.115 75 HE1 TYR 10 HE2 TYR 10 9.190 7.674 -4.041 76 HE2 TYR 10 HE1 TYR 10 10.873 7.197 -0.141 77 HH TYR 10 HH TYR 10 8.578 8.013 -0.745 78 H ALA 11 H ALA 11 15.116 6.053 -7.019 79 HA ALA 11 HA ALA 11 17.758 5.428 -6.077 80 HB1 ALA 11 1HB ALA 11 18.274 4.970 -8.418 81 HB2 ALA 11 2HB ALA 11 16.754 5.719 -8.905 82 HB3 ALA 11 3HB ALA 11 16.738 4.231 -7.961 83 H ASP 12 H ASP 12 19.696 6.495 -6.734 84 HA ASP 12 HA ASP 12 19.621 9.222 -6.147 85 HB2 ASP 12 1HB ASP 12 22.028 9.263 -6.658 86 HB3 ASP 12 2HB ASP 12 21.597 7.870 -5.675 87 H GLY 13 H GLY 13 19.358 11.002 -7.287 88 HA2 GLY 13 1HA GLY 13 19.717 12.327 -9.220 89 HA3 GLY 13 2HA GLY 13 19.652 10.863 -10.194 90 H GLU 14 H GLU 14 17.266 10.331 -8.078 91 HA GLU 14 HA GLU 14 15.297 11.028 -10.014 92 HB2 GLU 14 1HB GLU 14 15.239 8.913 -8.732 93 HB3 GLU 14 2HB GLU 14 14.970 9.847 -7.265 94 HG2 GLU 14 1HG GLU 14 12.884 8.906 -8.140 95 HG3 GLU 14 2HG GLU 14 12.861 10.670 -8.181 96 H VAL 15 H VAL 15 13.774 12.653 -9.843 97 HA VAL 15 HA VAL 15 14.256 14.468 -7.621 98 HB VAL 15 HB VAL 15 14.288 15.611 -9.759 99 HG11 VAL 15 1HG1 VAL 15 13.071 14.024 -11.082 100 HG12 VAL 15 2HG1 VAL 15 12.412 15.646 -11.306 101 HG13 VAL 15 3HG1 VAL 15 11.556 14.472 -10.291 102 HG21 VAL 15 3HG2 VAL 15 11.690 16.195 -8.340 103 HG22 VAL 15 1HG2 VAL 15 12.498 17.281 -9.470 104 HG23 VAL 15 2HG2 VAL 15 13.268 16.866 -7.939 105 H VAL 16 H VAL 16 12.899 14.679 -6.037 106 HA VAL 16 HA VAL 16 10.319 13.325 -6.131 107 HB VAL 16 HB VAL 16 10.823 12.380 -3.834 108 HG11 VAL 16 1HG1 VAL 16 10.831 10.952 -5.822 109 HG12 VAL 16 2HG1 VAL 16 12.068 10.445 -4.670 110 HG13 VAL 16 3HG1 VAL 16 12.524 11.361 -6.109 111 HG21 VAL 16 3HG2 VAL 16 13.660 13.094 -4.604 112 HG22 VAL 16 1HG2 VAL 16 13.200 12.078 -3.235 113 HG23 VAL 16 2HG2 VAL 16 12.735 13.778 -3.269 114 H MET 17 H MET 17 9.236 13.763 -3.870 115 HA MET 17 HA MET 17 9.863 16.520 -3.120 116 HB2 MET 17 1HB MET 17 7.219 15.054 -2.874 117 HB3 MET 17 2HB MET 17 7.535 16.663 -2.243 118 HG2 MET 17 1HG MET 17 8.002 17.424 -4.561 119 HG3 MET 17 2HG MET 17 7.541 15.825 -5.136 120 HE1 MET 17 3HE MET 17 5.915 17.978 -2.222 121 HE2 MET 17 1HE MET 17 4.671 18.835 -3.124 122 HE3 MET 17 2HE MET 17 6.379 19.150 -3.448 123 H GLY 18 H GLY 18 10.382 16.878 -1.021 124 HA2 GLY 18 1HA GLY 18 10.281 14.503 0.742 125 HA3 GLY 18 2HA GLY 18 11.727 15.405 0.566 126 H ARG 19 H ARG 19 10.158 14.963 2.913 127 HA ARG 19 HA ARG 19 8.851 17.462 3.515 128 HB2 ARG 19 1HB ARG 19 7.963 15.288 4.345 129 HB3 ARG 19 2HB ARG 19 9.403 15.112 5.335 130 HG2 ARG 19 1HG ARG 19 8.802 17.162 6.551 131 HG3 ARG 19 2HG ARG 19 7.343 17.302 5.578 132 HD2 ARG 19 1HD ARG 19 6.807 16.312 7.713 133 HD3 ARG 19 2HD ARG 19 6.596 15.114 6.439 134 HE ARG 19 HE ARG 19 9.092 14.602 7.224 135 HH11 ARG 19 1HH1 ARG 19 6.108 14.907 9.116 136 HH12 ARG 19 2HH1 ARG 19 6.740 14.007 10.430 137 HH21 ARG 19 1HH2 ARG 19 9.867 13.414 8.921 138 HH22 ARG 19 2HH2 ARG 19 8.950 13.122 10.330 139 H TRP 20 H TRP 20 9.591 19.001 4.768 140 HA TRP 20 HA TRP 20 12.398 19.034 5.404 141 HB2 TRP 20 1HB TRP 20 11.072 21.063 4.602 142 HB3 TRP 20 2HB TRP 20 10.308 21.095 6.187 143 HD1 TRP 20 HD1 TRP 20 11.845 21.889 8.271 144 HE1 TRP 20 HE1 TRP 20 14.066 23.199 8.347 145 HE3 TRP 20 HE3 TRP 20 13.234 21.445 3.385 146 HZ2 TRP 20 HZ2 TRP 20 16.120 23.951 6.569 147 HZ3 TRP 20 HZ3 TRP 20 15.330 22.487 2.650 148 HH2 TRP 20 HH2 TRP 20 16.741 23.701 4.184 149 HA PRO 21 HA PRO 21 11.680 16.847 9.262 150 HB2 PRO 21 1HB PRO 21 13.999 17.781 10.515 151 HB3 PRO 21 2HB PRO 21 13.881 16.328 9.515 152 HG2 PRO 21 1HG PRO 21 14.808 19.065 8.787 153 HG3 PRO 21 2HG PRO 21 15.428 17.491 8.254 154 HD2 PRO 21 1HD PRO 21 13.911 18.976 6.663 155 HD3 PRO 21 2HD PRO 21 13.711 17.209 6.698 156 H GLY 22 H GLY 22 10.429 17.366 10.842 157 HA2 GLY 22 1HA GLY 22 9.902 18.537 12.843 158 HA3 GLY 22 2HA GLY 22 10.784 19.928 12.221 159 H SER 23 H SER 23 9.633 19.862 9.641 160 HA SER 23 HA SER 23 7.107 21.148 10.277 161 HB2 SER 23 1HB SER 23 8.809 21.172 7.779 162 HB3 SER 23 2HB SER 23 7.385 22.172 8.066 163 HG SER 23 HG SER 23 9.101 22.418 10.106 164 H VAL 24 H VAL 24 5.473 20.885 8.387 165 HA VAL 24 HA VAL 24 5.440 18.074 7.564 166 HB VAL 24 HB VAL 24 3.580 18.838 9.087 167 HG11 VAL 24 1HG1 VAL 24 2.724 20.536 6.782 168 HG12 VAL 24 2HG1 VAL 24 3.266 21.079 8.372 169 HG13 VAL 24 3HG1 VAL 24 1.749 20.195 8.211 170 HG21 VAL 24 3HG2 VAL 24 3.215 16.884 7.708 171 HG22 VAL 24 1HG2 VAL 24 2.686 17.896 6.364 172 HG23 VAL 24 2HG2 VAL 24 1.718 17.805 7.836 173 H LEU 25 H LEU 25 6.613 20.613 6.449 174 HA LEU 25 HA LEU 25 5.300 21.147 3.956 175 HB2 LEU 25 1HB LEU 25 7.949 21.902 5.042 176 HB3 LEU 25 2HB LEU 25 7.385 22.368 3.454 177 HG LEU 25 HG LEU 25 6.407 23.272 6.137 178 HD11 LEU 25 1HD1 LEU 25 8.136 24.471 4.971 179 HD12 LEU 25 2HD1 LEU 25 6.611 25.411 4.983 180 HD13 LEU 25 3HD1 LEU 25 7.085 24.455 3.555 181 HD21 LEU 25 3HD2 LEU 25 4.369 22.602 4.996 182 HD22 LEU 25 1HD2 LEU 25 4.889 23.446 3.530 183 HD23 LEU 25 2HD2 LEU 25 4.519 24.360 4.986 184 H TYR 26 H TYR 26 5.956 20.605 1.946 185 HA TYR 26 HA TYR 26 7.970 18.517 1.714 186 HB2 TYR 26 1HB TYR 26 5.170 18.444 0.587 187 HB3 TYR 26 2HB TYR 26 6.479 17.520 -0.135 188 HD1 TYR 26 HD2 TYR 26 4.329 17.865 2.834 189 HD2 TYR 26 HD1 TYR 26 7.370 15.584 0.940 190 HE1 TYR 26 HE2 TYR 26 3.964 16.046 4.449 191 HE2 TYR 26 HE1 TYR 26 7.033 13.769 2.528 192 HH TYR 26 HH TYR 26 6.136 13.381 4.690 193 H TYR 27 H TYR 27 9.482 19.381 0.644 194 HA TYR 27 HA TYR 27 8.918 21.340 -1.462 195 HB2 TYR 27 1HB TYR 27 11.400 20.531 -0.035 196 HB3 TYR 27 2HB TYR 27 11.410 21.674 -1.371 197 HD1 TYR 27 HD1 TYR 27 10.491 21.169 2.165 198 HD2 TYR 27 HD2 TYR 27 10.657 23.944 -1.045 199 HE1 TYR 27 HE1 TYR 27 10.155 23.019 3.750 200 HE2 TYR 27 HE2 TYR 27 10.324 25.799 0.526 201 HH TYR 27 HH TYR 27 9.349 26.107 2.702 202 H GLU 28 H GLU 28 10.311 21.123 -3.358 203 HA GLU 28 HA GLU 28 10.364 18.313 -4.194 204 HB2 GLU 28 1HB GLU 28 9.128 20.019 -5.546 205 HB3 GLU 28 2HB GLU 28 10.664 20.817 -5.827 206 HG2 GLU 28 1HG GLU 28 11.482 18.845 -6.994 207 HG3 GLU 28 2HG GLU 28 9.929 18.050 -6.716 208 H VAL 29 H VAL 29 12.242 17.317 -4.413 209 HA VAL 29 HA VAL 29 14.733 18.863 -4.337 210 HB VAL 29 HB VAL 29 15.621 17.306 -2.638 211 HG11 VAL 29 1HG1 VAL 29 13.133 18.754 -1.795 212 HG12 VAL 29 2HG1 VAL 29 14.751 19.448 -1.943 213 HG13 VAL 29 3HG1 VAL 29 14.423 18.215 -0.723 214 HG21 VAL 29 3HG2 VAL 29 14.150 15.402 -3.014 215 HG22 VAL 29 1HG2 VAL 29 12.771 16.332 -2.430 216 HG23 VAL 29 2HG2 VAL 29 14.076 15.908 -1.325 217 H GLN 30 H GLN 30 16.586 17.457 -4.860 218 HA GLN 30 HA GLN 30 15.653 15.144 -6.412 219 HB2 GLN 30 1HB GLN 30 16.717 16.950 -7.801 220 HB3 GLN 30 2HB GLN 30 18.203 16.710 -6.891 221 HG2 GLN 30 1HG GLN 30 18.222 14.334 -7.674 222 HG3 GLN 30 2HG GLN 30 16.813 14.702 -8.638 223 HE21 GLN 30 2HE2 GLN 30 17.939 14.134 -10.504 224 HE22 GLN 30 1HE2 GLN 30 19.073 15.209 -11.218 225 H VAL 31 H VAL 31 16.440 13.215 -5.840 226 HA VAL 31 HA VAL 31 17.888 13.144 -3.385 227 HB VAL 31 HB VAL 31 16.117 11.415 -3.999 228 HG11 VAL 31 1HG1 VAL 31 16.696 9.555 -5.354 229 HG12 VAL 31 2HG1 VAL 31 18.116 10.459 -5.909 230 HG13 VAL 31 3HG1 VAL 31 16.499 11.084 -6.203 231 HG21 VAL 31 3HG2 VAL 31 17.657 10.953 -2.163 232 HG22 VAL 31 1HG2 VAL 31 18.827 10.286 -3.304 233 HG23 VAL 31 2HG2 VAL 31 17.279 9.481 -3.058 234 H THR 32 H THR 32 19.918 12.870 -3.029 235 HA THR 32 HA THR 32 21.631 13.003 -5.390 236 HB THR 32 HB THR 32 22.155 14.054 -2.609 237 HG1 THR 32 HG1 THR 32 20.383 14.838 -4.395 238 HG21 THR 32 3HG2 THR 32 23.681 15.523 -3.818 239 HG22 THR 32 1HG2 THR 32 23.311 14.678 -5.314 240 HG23 THR 32 2HG2 THR 32 24.159 13.821 -4.005 241 H SER 33 H SER 33 21.193 11.465 -2.201 242 HA SER 33 HA SER 33 22.854 9.310 -3.030 243 HB2 SER 33 1HB SER 33 24.553 10.940 -2.158 244 HB3 SER 33 2HB SER 33 23.717 10.941 -0.608 245 HG SER 33 HG SER 33 25.296 9.502 -0.372 246 H TYR 34 H TYR 34 23.019 7.789 -1.044 247 HA TYR 34 HA TYR 34 20.713 7.884 0.678 248 HB2 TYR 34 1HB TYR 34 19.668 6.848 -1.196 249 HB3 TYR 34 2HB TYR 34 21.073 5.847 -1.521 250 HD1 TYR 34 HD2 TYR 34 18.817 6.413 1.440 251 HD2 TYR 34 HD1 TYR 34 20.696 3.618 -1.153 252 HE1 TYR 34 HE2 TYR 34 17.800 4.560 2.700 253 HE2 TYR 34 HE1 TYR 34 19.687 1.766 0.093 254 HH TYR 34 HH TYR 34 18.771 1.315 2.311 255 H ASP 35 H ASP 35 21.515 7.409 2.570 256 HA ASP 35 HA ASP 35 23.867 5.690 2.900 257 HB2 ASP 35 1HB ASP 35 23.532 7.802 4.265 258 HB3 ASP 35 2HB ASP 35 22.084 7.073 4.945 259 H ASP 36 H ASP 36 23.545 3.552 3.216 260 HA ASP 36 HA ASP 36 20.753 2.720 3.435 261 HB2 ASP 36 1HB ASP 36 21.457 0.554 2.560 262 HB3 ASP 36 2HB ASP 36 21.944 1.864 1.492 263 H ALA 37 H ALA 37 23.375 3.067 5.326 264 HA ALA 37 HA ALA 37 22.958 0.730 6.966 265 HB1 ALA 37 1HB ALA 37 24.703 1.667 8.407 266 HB2 ALA 37 2HB ALA 37 24.692 3.150 7.452 267 HB3 ALA 37 3HB ALA 37 25.217 1.635 6.719 268 H SER 38 H SER 38 22.512 4.248 7.329 269 HA SER 38 HA SER 38 20.884 3.699 9.698 270 HB2 SER 38 1HB SER 38 22.688 5.400 9.829 271 HB3 SER 38 2HB SER 38 21.888 6.341 8.573 272 HG SER 38 HG SER 38 20.482 5.632 10.880 273 H HIS 39 H HIS 39 20.486 3.909 6.476 274 HA HIS 39 HA HIS 39 18.829 4.243 5.006 275 HB2 HIS 39 1HB HIS 39 17.051 3.906 7.433 276 HB3 HIS 39 2HB HIS 39 16.457 3.941 5.776 277 HD1 HIS 39 HD1 HIS 39 17.971 1.707 8.301 278 HD2 HIS 39 HD2 HIS 39 17.224 1.686 4.217 279 HE1 HIS 39 HE1 HIS 39 18.214 -0.688 7.558 280 H LEU 40 H LEU 40 19.869 6.374 5.007 281 HA LEU 40 HA LEU 40 17.843 8.475 5.398 282 HB2 LEU 40 1HB LEU 40 20.737 8.541 6.164 283 HB3 LEU 40 2HB LEU 40 20.015 9.998 5.541 284 HG LEU 40 HG LEU 40 20.090 10.106 7.920 285 HD11 LEU 40 1HD1 LEU 40 18.201 11.153 6.920 286 HD12 LEU 40 2HD1 LEU 40 17.774 10.491 8.499 287 HD13 LEU 40 3HD1 LEU 40 17.269 9.662 7.033 288 HD21 LEU 40 3HD2 LEU 40 18.879 8.563 9.378 289 HD22 LEU 40 1HD2 LEU 40 20.170 7.756 8.490 290 HD23 LEU 40 2HD2 LEU 40 18.497 7.557 7.980 291 H TYR 41 H TYR 41 17.413 9.614 3.616 292 HA TYR 41 HA TYR 41 19.021 9.067 1.250 293 HB2 TYR 41 1HB TYR 41 16.232 10.171 1.635 294 HB3 TYR 41 2HB TYR 41 17.034 10.071 0.079 295 HD1 TYR 41 HD2 TYR 41 16.007 7.880 2.958 296 HD2 TYR 41 HD1 TYR 41 16.667 8.202 -1.238 297 HE1 TYR 41 HE2 TYR 41 15.131 5.614 2.651 298 HE2 TYR 41 HE1 TYR 41 15.785 5.935 -1.553 299 HH TYR 41 HH TYR 41 14.291 4.125 1.043 300 H THR 42 H THR 42 20.400 10.617 0.677 301 HA THR 42 HA THR 42 20.167 13.259 1.859 302 HB THR 42 HB THR 42 22.200 12.223 -0.122 303 HG1 THR 42 HG1 THR 42 23.305 12.287 2.224 304 HG21 THR 42 3HG2 THR 42 23.622 14.001 0.822 305 HG22 THR 42 1HG2 THR 42 22.305 14.475 1.900 306 HG23 THR 42 2HG2 THR 42 22.131 14.662 0.155 307 H VAL 43 H VAL 43 19.329 14.908 0.742 308 HA VAL 43 HA VAL 43 18.924 14.567 -2.147 309 HB VAL 43 HB VAL 43 16.751 15.724 -1.938 310 HG11 VAL 43 1HG1 VAL 43 16.942 13.277 -0.183 311 HG12 VAL 43 2HG1 VAL 43 16.645 13.297 -1.924 312 HG13 VAL 43 3HG1 VAL 43 15.446 13.947 -0.819 313 HG21 VAL 43 3HG2 VAL 43 17.205 15.556 1.047 314 HG22 VAL 43 1HG2 VAL 43 15.707 16.073 0.271 315 HG23 VAL 43 2HG2 VAL 43 17.177 17.029 0.080 316 H LYS 44 H LYS 44 18.899 16.545 -3.287 317 HA LYS 44 HA LYS 44 20.174 18.772 -1.878 318 HB2 LYS 44 1HB LYS 44 21.425 17.887 -3.788 319 HB3 LYS 44 2HB LYS 44 20.026 18.093 -4.825 320 HG2 LYS 44 1HG LYS 44 20.180 20.541 -4.485 321 HG3 LYS 44 2HG LYS 44 21.632 20.293 -3.524 322 HD2 LYS 44 1HD LYS 44 21.399 19.325 -6.373 323 HD3 LYS 44 2HD LYS 44 21.918 20.953 -5.986 324 HE2 LYS 44 1HE LYS 44 23.856 19.558 -6.393 325 HE3 LYS 44 2HE LYS 44 23.816 20.012 -4.699 326 HZ1 LYS 44 3HZ LYS 44 24.412 17.682 -5.264 327 HZ2 LYS 44 1HZ LYS 44 22.832 17.368 -5.675 328 HZ3 LYS 44 2HZ LYS 44 23.293 17.802 -4.070 329 H TYR 45 H TYR 45 19.131 20.616 -1.638 330 HA TYR 45 HA TYR 45 16.466 20.975 -2.761 331 HB2 TYR 45 1HB TYR 45 17.989 22.249 -0.502 332 HB3 TYR 45 2HB TYR 45 16.582 23.041 -1.193 333 HD1 TYR 45 HD2 TYR 45 17.714 19.967 0.584 334 HD2 TYR 45 HD1 TYR 45 14.437 22.391 -0.599 335 HE1 TYR 45 HE2 TYR 45 16.198 18.637 2.013 336 HE2 TYR 45 HE1 TYR 45 12.943 21.117 0.773 337 HH TYR 45 HH TYR 45 14.014 18.867 3.124 338 H LYS 46 H LYS 46 15.903 22.918 -3.763 339 HA LYS 46 HA LYS 46 17.666 24.076 -5.631 340 HB2 LYS 46 1HB LYS 46 15.251 24.058 -5.901 341 HB3 LYS 46 2HB LYS 46 15.051 25.001 -4.441 342 HG2 LYS 46 1HG LYS 46 16.268 26.858 -5.572 343 HG3 LYS 46 2HG LYS 46 16.171 25.921 -7.068 344 HD2 LYS 46 1HD LYS 46 13.755 25.886 -6.933 345 HD3 LYS 46 2HD LYS 46 13.805 26.695 -5.369 346 HE2 LYS 46 1HE LYS 46 14.891 28.641 -6.495 347 HE3 LYS 46 2HE LYS 46 14.627 27.824 -8.036 348 HZ1 LYS 46 3HZ LYS 46 12.248 27.862 -7.611 349 HZ2 LYS 46 1HZ LYS 46 12.874 29.418 -7.546 350 HZ3 LYS 46 2HZ LYS 46 12.487 28.603 -6.133 351 H ASP 47 H ASP 47 16.926 24.702 -2.353 352 HA ASP 47 HA ASP 47 17.839 27.404 -2.150 353 HB2 ASP 47 1HB ASP 47 17.357 25.342 0.015 354 HB3 ASP 47 2HB ASP 47 17.615 27.060 0.285 355 H GLY 48 H GLY 48 19.554 24.630 -2.679 356 HA2 GLY 48 1HA GLY 48 21.876 24.557 -2.891 357 HA3 GLY 48 2HA GLY 48 21.995 25.934 -1.797 358 H THR 49 H THR 49 20.103 24.395 -0.045 359 HA THR 49 HA THR 49 22.069 23.168 1.612 360 HB THR 49 HB THR 49 19.055 23.239 1.830 361 HG1 THR 49 HG1 THR 49 21.095 25.052 2.495 362 HG21 THR 49 3HG2 THR 49 19.479 22.981 4.258 363 HG22 THR 49 1HG2 THR 49 21.206 22.848 3.932 364 HG23 THR 49 2HG2 THR 49 20.106 21.604 3.347 365 H GLU 50 H GLU 50 22.613 20.983 1.539 366 HA GLU 50 HA GLU 50 20.628 19.255 0.292 367 HB2 GLU 50 1HB GLU 50 23.509 18.674 1.045 368 HB3 GLU 50 2HB GLU 50 22.423 17.557 0.225 369 HG2 GLU 50 1HG GLU 50 22.273 19.155 -1.657 370 HG3 GLU 50 2HG GLU 50 23.458 20.172 -0.841 371 H LEU 51 H LEU 51 19.986 17.406 1.475 372 HA LEU 51 HA LEU 51 20.340 17.638 4.372 373 HB2 LEU 51 1HB LEU 51 18.430 19.023 3.674 374 HB3 LEU 51 2HB LEU 51 17.719 17.616 2.919 375 HG LEU 51 HG LEU 51 17.552 16.565 5.170 376 HD11 LEU 51 1HD1 LEU 51 17.751 17.996 7.137 377 HD12 LEU 51 2HD1 LEU 51 18.358 19.308 6.121 378 HD13 LEU 51 3HD1 LEU 51 19.296 17.828 6.310 379 HD21 LEU 51 3HD2 LEU 51 15.661 17.655 4.124 380 HD22 LEU 51 1HD2 LEU 51 16.172 19.212 4.777 381 HD23 LEU 51 2HD2 LEU 51 15.656 17.928 5.867 382 H ALA 52 H ALA 52 19.899 15.622 5.456 383 HA ALA 52 HA ALA 52 19.256 13.449 3.616 384 HB1 ALA 52 1HB ALA 52 20.232 11.968 5.299 385 HB2 ALA 52 2HB ALA 52 20.584 13.352 6.328 386 HB3 ALA 52 3HB ALA 52 21.411 13.172 4.779 387 H LEU 53 H LEU 53 17.446 12.405 3.962 388 HA LEU 53 HA LEU 53 16.030 12.737 6.454 389 HB2 LEU 53 1HB LEU 53 13.878 13.054 5.038 390 HB3 LEU 53 2HB LEU 53 14.894 14.426 5.405 391 HG LEU 53 HG LEU 53 15.802 14.401 3.126 392 HD11 LEU 53 1HD1 LEU 53 15.743 12.044 2.704 393 HD12 LEU 53 2HD1 LEU 53 14.904 12.987 1.449 394 HD13 LEU 53 3HD1 LEU 53 13.969 12.111 2.653 395 HD21 LEU 53 3HD2 LEU 53 12.849 14.188 3.257 396 HD22 LEU 53 1HD2 LEU 53 13.747 14.849 1.893 397 HD23 LEU 53 2HD2 LEU 53 13.805 15.671 3.476 398 H LYS 54 H LYS 54 14.092 11.300 6.506 399 HA LYS 54 HA LYS 54 15.063 8.738 5.607 400 HB2 LYS 54 1HB LYS 54 12.941 9.414 7.622 401 HB3 LYS 54 2HB LYS 54 13.245 7.762 7.076 402 HG2 LYS 54 1HG LYS 54 15.579 7.962 7.778 403 HG3 LYS 54 2HG LYS 54 15.250 9.603 8.324 404 HD2 LYS 54 1HD LYS 54 13.777 8.803 10.027 405 HD3 LYS 54 2HD LYS 54 13.881 7.153 9.407 406 HE2 LYS 54 1HE LYS 54 16.266 7.104 9.908 407 HE3 LYS 54 2HE LYS 54 16.191 8.760 10.488 408 HZ1 LYS 54 3HZ LYS 54 14.797 8.067 12.288 409 HZ2 LYS 54 1HZ LYS 54 16.182 7.101 12.258 410 HZ3 LYS 54 2HZ LYS 54 14.719 6.483 11.681 411 H GLU 55 H GLU 55 13.411 7.054 4.971 412 HA GLU 55 HA GLU 55 12.470 7.833 2.447 413 HB2 GLU 55 1HB GLU 55 11.575 5.591 2.200 414 HB3 GLU 55 2HB GLU 55 13.149 5.506 2.950 415 HG2 GLU 55 1HG GLU 55 10.489 5.188 4.332 416 HG3 GLU 55 2HG GLU 55 11.607 3.895 3.910 417 H SER 56 H SER 56 10.897 7.671 5.526 418 HA SER 56 HA SER 56 8.231 7.913 4.531 419 HB2 SER 56 1HB SER 56 9.289 8.550 7.280 420 HB3 SER 56 2HB SER 56 7.603 8.264 6.847 421 HG SER 56 HG SER 56 8.877 6.237 5.895 422 H ASP 57 H ASP 57 10.699 10.105 4.470 423 HA ASP 57 HA ASP 57 8.894 12.370 4.758 424 HB2 ASP 57 1HB ASP 57 11.892 12.223 4.463 425 HB3 ASP 57 2HB ASP 57 10.990 13.729 4.426 426 H ILE 58 H ILE 58 10.062 10.238 2.413 427 HA ILE 58 HA ILE 58 10.042 12.374 0.426 428 HB ILE 58 HB ILE 58 11.170 9.584 0.152 429 HG12 ILE 58 1HG1 ILE 58 12.461 12.283 0.478 430 HG13 ILE 58 2HG1 ILE 58 12.474 10.956 1.631 431 HG21 ILE 58 1HG2 ILE 58 12.084 10.395 -1.967 432 HG22 ILE 58 2HG2 ILE 58 11.288 11.948 -1.709 433 HG23 ILE 58 3HG2 ILE 58 10.317 10.495 -1.976 434 HD11 ILE 58 3HD1 ILE 58 13.823 9.628 0.123 435 HD12 ILE 58 1HD1 ILE 58 14.560 11.200 0.456 436 HD13 ILE 58 2HD1 ILE 58 13.748 10.922 -1.089 437 H ARG 59 H ARG 59 8.694 12.509 -1.039 438 HA ARG 59 HA ARG 59 6.745 10.357 -1.605 439 HB2 ARG 59 1HB ARG 59 6.368 13.357 -1.655 440 HB3 ARG 59 2HB ARG 59 5.198 12.202 -2.260 441 HG2 ARG 59 1HG ARG 59 4.880 11.325 -0.020 442 HG3 ARG 59 2HG ARG 59 6.123 12.418 0.590 443 HD2 ARG 59 1HD ARG 59 3.830 13.279 0.977 444 HD3 ARG 59 2HD ARG 59 4.818 14.345 -0.013 445 HE ARG 59 HE ARG 59 3.064 12.459 -1.358 446 HH11 ARG 59 1HH1 ARG 59 3.646 15.818 -0.350 447 HH12 ARG 59 2HH1 ARG 59 2.579 16.520 -1.458 448 HH21 ARG 59 1HH2 ARG 59 1.561 13.421 -2.895 449 HH22 ARG 59 2HH2 ARG 59 1.355 15.111 -2.950 450 H LEU 60 H LEU 60 5.903 10.651 -3.899 451 HA LEU 60 HA LEU 60 8.116 11.195 -5.668 452 HB2 LEU 60 1HB LEU 60 5.276 10.315 -6.197 453 HB3 LEU 60 2HB LEU 60 6.491 10.475 -7.446 454 HG LEU 60 HG LEU 60 6.596 8.534 -5.129 455 HD11 LEU 60 1HD1 LEU 60 6.068 8.084 -8.061 456 HD12 LEU 60 2HD1 LEU 60 4.907 7.907 -6.743 457 HD13 LEU 60 3HD1 LEU 60 6.291 6.820 -6.853 458 HD21 LEU 60 3HD2 LEU 60 8.466 8.899 -7.477 459 HD22 LEU 60 1HD2 LEU 60 8.528 7.571 -6.321 460 HD23 LEU 60 2HD2 LEU 60 8.834 9.219 -5.784 461 H GLN 61 H GLN 61 7.118 12.363 -7.874 462 HA GLN 61 HA GLN 61 7.072 15.088 -7.240 463 HB2 GLN 61 1HB GLN 61 7.846 14.190 -9.403 464 HB3 GLN 61 2HB GLN 61 6.206 13.723 -9.800 465 HG2 GLN 61 1HG GLN 61 5.554 16.091 -9.822 466 HG3 GLN 61 2HG GLN 61 7.215 16.537 -9.448 467 HE21 GLN 61 2HE2 GLN 61 7.453 17.694 -11.312 468 HE22 GLN 61 1HE2 GLN 61 7.588 16.994 -12.875 469 H SER 62 H SER 62 4.543 12.842 -7.238 470 HA SER 62 HA SER 62 2.376 12.875 -6.678 471 HB2 SER 62 1HB SER 62 2.979 14.566 -4.960 472 HB3 SER 62 2HB SER 62 2.722 15.848 -6.140 473 HG SER 62 HG SER 62 0.567 14.184 -5.942 474 H SER 63 H SER 63 3.164 15.660 -8.725 475 HA SER 63 HA SER 63 0.710 15.323 -10.195 476 HB2 SER 63 1HB SER 63 1.715 17.295 -11.482 477 HB3 SER 63 2HB SER 63 1.337 17.581 -9.781 478 HG SER 63 HG SER 63 3.332 18.210 -9.701 479 H PHE 64 H PHE 64 3.170 13.477 -10.069 480 HA PHE 64 HA PHE 64 4.341 13.290 -12.644 481 HB2 PHE 64 1HB PHE 64 5.238 12.255 -10.489 482 HB3 PHE 64 2HB PHE 64 3.955 11.073 -10.620 483 HD1 PHE 64 HD2 PHE 64 6.857 12.438 -12.484 484 HD2 PHE 64 HD1 PHE 64 4.326 9.096 -11.780 485 HE1 PHE 64 HE2 PHE 64 8.325 11.040 -13.870 486 HE2 PHE 64 HE1 PHE 64 5.791 7.691 -13.165 487 HZ PHE 64 HZ PHE 64 7.798 8.666 -14.213 488 H LYS 65 H LYS 65 3.090 12.997 -14.351 489 HA LYS 65 HA LYS 65 0.479 11.837 -14.100 490 HB2 LYS 65 1HB LYS 65 0.190 12.460 -16.438 491 HB3 LYS 65 2HB LYS 65 0.803 13.803 -15.483 492 HG2 LYS 65 1HG LYS 65 3.037 13.439 -16.359 493 HG3 LYS 65 2HG LYS 65 2.472 12.036 -17.266 494 HD2 LYS 65 1HD LYS 65 0.908 13.537 -18.493 495 HD3 LYS 65 2HD LYS 65 1.625 14.901 -17.637 496 HE2 LYS 65 1HE LYS 65 3.792 14.415 -18.605 497 HE3 LYS 65 2HE LYS 65 3.131 12.983 -19.394 498 HZ1 LYS 65 3HZ LYS 65 3.283 14.844 -20.923 499 HZ2 LYS 65 1HZ LYS 65 2.291 15.775 -19.924 500 HZ3 LYS 65 2HZ LYS 65 1.674 14.410 -20.671 501 H GLN 66 H GLN 66 -0.336 10.143 -15.310 502 HA GLN 66 HA GLN 66 1.636 8.321 -16.375 503 HB2 GLN 66 1HB GLN 66 0.066 6.441 -15.750 504 HB3 GLN 66 2HB GLN 66 0.787 7.261 -14.387 505 HG2 GLN 66 1HG GLN 66 -1.332 8.544 -14.136 506 HG3 GLN 66 2HG GLN 66 -2.012 7.529 -15.406 507 HE21 GLN 66 2HE2 GLN 66 -3.530 6.620 -14.085 508 HE22 GLN 66 1HE2 GLN 66 -3.140 5.498 -12.830 Start of MODEL 3 1 H1 GLY 1 H GLY 1 3.200 0.422 -0.377 2 HA2 GLY 1 2HA GLY 1 2.503 -0.483 -3.074 3 HA3 GLY 1 1HA GLY 1 3.976 0.365 -2.633 4 H ALA 2 H ALA 2 3.352 -2.416 -3.633 5 HA ALA 2 HA ALA 2 4.015 -4.207 -1.529 6 HB1 ALA 2 1HB ALA 2 4.256 -5.878 -3.307 7 HB2 ALA 2 2HB ALA 2 4.195 -4.603 -4.520 8 HB3 ALA 2 3HB ALA 2 2.779 -4.938 -3.521 9 H MET 3 H MET 3 5.820 -2.740 -4.174 10 HA MET 3 HA MET 3 8.299 -3.732 -3.010 11 HB2 MET 3 1HB MET 3 7.751 -2.275 -5.610 12 HB3 MET 3 2HB MET 3 9.355 -2.715 -5.057 13 HG2 MET 3 1HG MET 3 8.777 -5.073 -5.165 14 HG3 MET 3 2HG MET 3 7.131 -4.660 -5.638 15 HE1 MET 3 3HE MET 3 7.581 -3.228 -9.232 16 HE2 MET 3 1HE MET 3 7.481 -2.316 -7.728 17 HE3 MET 3 2HE MET 3 6.441 -3.717 -7.982 18 H GLY 4 H GLY 4 8.436 -2.520 -1.181 19 HA2 GLY 4 1HA GLY 4 8.394 0.384 -1.514 20 HA3 GLY 4 2HA GLY 4 8.280 -0.484 0.012 21 H MET 5 H MET 5 10.432 -2.215 -0.255 22 HA MET 5 HA MET 5 12.711 -0.418 -0.622 23 HB2 MET 5 1HB MET 5 12.165 -2.007 1.877 24 HB3 MET 5 2HB MET 5 13.714 -1.271 1.512 25 HG2 MET 5 1HG MET 5 12.717 0.938 1.583 26 HG3 MET 5 2HG MET 5 11.122 0.234 1.826 27 HE1 MET 5 3HE MET 5 11.410 -1.315 5.398 28 HE2 MET 5 1HE MET 5 11.760 -2.158 3.890 29 HE3 MET 5 2HE MET 5 10.391 -1.057 3.986 30 HA PRO 6 HA PRO 6 14.021 -4.477 -2.384 31 HB2 PRO 6 1HB PRO 6 15.403 -2.689 -4.287 32 HB3 PRO 6 2HB PRO 6 14.304 -4.023 -4.641 33 HG2 PRO 6 1HG PRO 6 13.588 -1.461 -5.055 34 HG3 PRO 6 2HG PRO 6 12.422 -2.684 -4.524 35 HD2 PRO 6 1HD PRO 6 13.823 -0.576 -2.919 36 HD3 PRO 6 2HD PRO 6 12.127 -1.105 -2.842 37 H ASN 7 H ASN 7 15.418 -1.405 -1.907 38 HA ASN 7 HA ASN 7 17.247 -1.857 0.055 39 HB2 ASN 7 1HB ASN 7 18.603 -3.071 -1.735 40 HB3 ASN 7 2HB ASN 7 18.643 -1.562 -2.646 41 HD21 ASN 7 2HD2 ASN 7 19.852 -3.259 0.134 42 HD22 ASN 7 1HD2 ASN 7 21.076 -2.123 0.535 43 H ARG 8 H ARG 8 17.120 -0.215 -3.052 44 HA ARG 8 HA ARG 8 16.708 2.302 -1.618 45 HB2 ARG 8 1HB ARG 8 17.792 1.822 -4.399 46 HB3 ARG 8 2HB ARG 8 17.369 3.400 -3.761 47 HG2 ARG 8 1HG ARG 8 19.059 3.073 -1.995 48 HG3 ARG 8 2HG ARG 8 19.531 1.566 -2.784 49 HD2 ARG 8 1HD ARG 8 20.124 2.748 -4.788 50 HD3 ARG 8 2HD ARG 8 19.525 4.266 -4.121 51 HE ARG 8 HE ARG 8 21.562 3.010 -2.553 52 HH11 ARG 8 1HH1 ARG 8 21.035 5.084 -5.351 53 HH12 ARG 8 2HH1 ARG 8 22.467 5.963 -5.207 54 HH21 ARG 8 1HH2 ARG 8 23.571 4.192 -2.299 55 HH22 ARG 8 2HH2 ARG 8 23.974 5.425 -3.395 56 H LYS 9 H LYS 9 14.821 3.198 -1.869 57 HA LYS 9 HA LYS 9 12.891 1.994 -3.683 58 HB2 LYS 9 1HB LYS 9 12.112 2.583 -1.451 59 HB3 LYS 9 2HB LYS 9 12.647 4.241 -1.668 60 HG2 LYS 9 1HG LYS 9 10.205 3.983 -1.871 61 HG3 LYS 9 2HG LYS 9 10.945 4.625 -3.339 62 HD2 LYS 9 1HD LYS 9 10.878 2.426 -4.349 63 HD3 LYS 9 2HD LYS 9 10.214 1.775 -2.845 64 HE2 LYS 9 1HE LYS 9 8.221 3.127 -3.134 65 HE3 LYS 9 2HE LYS 9 8.892 3.844 -4.598 66 HZ1 LYS 9 3HZ LYS 9 8.870 1.626 -5.621 67 HZ2 LYS 9 1HZ LYS 9 7.330 2.072 -5.126 68 HZ3 LYS 9 2HZ LYS 9 8.221 0.962 -4.230 69 H TYR 10 H TYR 10 14.735 4.873 -3.231 70 HA TYR 10 HA TYR 10 13.725 5.915 -5.763 71 HB2 TYR 10 1HB TYR 10 14.829 7.552 -3.472 72 HB3 TYR 10 2HB TYR 10 13.955 8.127 -4.887 73 HD1 TYR 10 HD1 TYR 10 11.461 7.352 -5.094 74 HD2 TYR 10 HD2 TYR 10 13.688 7.147 -1.483 75 HE1 TYR 10 HE1 TYR 10 9.363 7.287 -3.807 76 HE2 TYR 10 HE2 TYR 10 11.610 7.075 -0.187 77 HH TYR 10 HH TYR 10 9.251 7.760 -0.456 78 H ALA 11 H ALA 11 15.301 6.187 -7.223 79 HA ALA 11 HA ALA 11 18.034 5.551 -6.436 80 HB1 ALA 11 1HB ALA 11 16.830 6.129 -9.144 81 HB2 ALA 11 2HB ALA 11 17.084 4.523 -8.462 82 HB3 ALA 11 3HB ALA 11 18.468 5.546 -8.852 83 H ASP 12 H ASP 12 19.772 7.034 -6.910 84 HA ASP 12 HA ASP 12 18.944 9.651 -6.241 85 HB2 ASP 12 1HB ASP 12 21.329 10.283 -6.122 86 HB3 ASP 12 2HB ASP 12 20.959 8.853 -5.181 87 H GLY 13 H GLY 13 19.113 11.535 -7.350 88 HA2 GLY 13 1HA GLY 13 19.649 12.761 -9.310 89 HA3 GLY 13 2HA GLY 13 19.541 11.260 -10.231 90 H GLU 14 H GLU 14 17.051 10.817 -8.262 91 HA GLU 14 HA GLU 14 15.168 11.665 -10.259 92 HB2 GLU 14 1HB GLU 14 14.972 9.457 -9.180 93 HB3 GLU 14 2HB GLU 14 14.800 10.228 -7.617 94 HG2 GLU 14 1HG GLU 14 12.642 9.463 -8.468 95 HG3 GLU 14 2HG GLU 14 12.679 11.219 -8.328 96 H VAL 15 H VAL 15 13.485 13.164 -9.904 97 HA VAL 15 HA VAL 15 14.060 14.973 -7.686 98 HB VAL 15 HB VAL 15 13.841 16.082 -9.874 99 HG11 VAL 15 1HG1 VAL 15 11.063 14.939 -10.011 100 HG12 VAL 15 2HG1 VAL 15 12.434 14.537 -11.049 101 HG13 VAL 15 3HG1 VAL 15 11.725 16.152 -11.105 102 HG21 VAL 15 3HG2 VAL 15 11.492 16.703 -8.086 103 HG22 VAL 15 1HG2 VAL 15 12.118 17.763 -9.349 104 HG23 VAL 15 2HG2 VAL 15 13.120 17.367 -7.952 105 H VAL 16 H VAL 16 12.778 15.046 -5.971 106 HA VAL 16 HA VAL 16 10.269 13.570 -6.021 107 HB VAL 16 HB VAL 16 10.851 12.487 -3.828 108 HG11 VAL 16 1HG1 VAL 16 10.958 11.187 -5.889 109 HG12 VAL 16 2HG1 VAL 16 12.227 10.688 -4.769 110 HG13 VAL 16 3HG1 VAL 16 12.620 11.718 -6.145 111 HG21 VAL 16 3HG2 VAL 16 12.665 13.921 -3.116 112 HG22 VAL 16 1HG2 VAL 16 13.643 13.426 -4.499 113 HG23 VAL 16 2HG2 VAL 16 13.241 12.259 -3.241 114 H MET 17 H MET 17 9.187 13.847 -3.789 115 HA MET 17 HA MET 17 9.676 16.573 -2.852 116 HB2 MET 17 1HB MET 17 7.101 14.978 -2.778 117 HB3 MET 17 2HB MET 17 7.336 16.549 -2.027 118 HG2 MET 17 1HG MET 17 7.822 17.499 -4.263 119 HG3 MET 17 2HG MET 17 7.462 15.922 -4.952 120 HE1 MET 17 3HE MET 17 5.609 17.698 -1.927 121 HE2 MET 17 1HE MET 17 4.384 18.602 -2.807 122 HE3 MET 17 2HE MET 17 6.092 19.006 -3.005 123 H GLY 18 H GLY 18 10.160 16.790 -0.752 124 HA2 GLY 18 1HA GLY 18 9.964 14.346 0.904 125 HA3 GLY 18 2HA GLY 18 11.433 15.227 0.820 126 H ARG 19 H ARG 19 9.696 14.728 3.064 127 HA ARG 19 HA ARG 19 8.443 17.224 3.758 128 HB2 ARG 19 1HB ARG 19 7.618 15.037 4.600 129 HB3 ARG 19 2HB ARG 19 9.104 14.865 5.519 130 HG2 ARG 19 1HG ARG 19 8.507 17.008 6.689 131 HG3 ARG 19 2HG ARG 19 6.929 16.897 5.909 132 HD2 ARG 19 1HD ARG 19 6.883 15.962 8.174 133 HD3 ARG 19 2HD ARG 19 6.556 14.729 6.953 134 HE ARG 19 HE ARG 19 8.704 13.826 7.291 135 HH11 ARG 19 1HH1 ARG 19 7.895 16.292 9.713 136 HH12 ARG 19 2HH1 ARG 19 9.207 15.893 10.714 137 HH21 ARG 19 1HH2 ARG 19 10.439 13.304 8.632 138 HH22 ARG 19 2HH2 ARG 19 10.705 14.169 10.085 139 H TRP 20 H TRP 20 9.277 18.818 4.936 140 HA TRP 20 HA TRP 20 12.081 18.777 5.527 141 HB2 TRP 20 1HB TRP 20 10.888 20.825 4.651 142 HB3 TRP 20 2HB TRP 20 10.058 20.937 6.199 143 HD1 TRP 20 HD1 TRP 20 11.715 21.435 8.397 144 HE1 TRP 20 HE1 TRP 20 13.909 22.772 8.513 145 HE3 TRP 20 HE3 TRP 20 12.834 21.544 3.452 146 HZ2 TRP 20 HZ2 TRP 20 15.856 23.735 6.727 147 HZ3 TRP 20 HZ3 TRP 20 14.864 22.698 2.715 148 HH2 TRP 20 HH2 TRP 20 16.335 23.760 4.252 149 HA PRO 21 HA PRO 21 11.290 17.168 9.636 150 HB2 PRO 21 1HB PRO 21 13.873 17.473 10.528 151 HB3 PRO 21 2HB PRO 21 13.335 16.105 9.548 152 HG2 PRO 21 1HG PRO 21 14.780 18.590 8.705 153 HG3 PRO 21 2HG PRO 21 15.006 16.922 8.150 154 HD2 PRO 21 1HD PRO 21 13.660 18.800 6.769 155 HD3 PRO 21 2HD PRO 21 13.250 17.075 6.659 156 H GLY 22 H GLY 22 10.139 18.553 10.837 157 HA2 GLY 22 1HA GLY 22 10.518 20.011 12.791 158 HA3 GLY 22 2HA GLY 22 11.458 21.029 11.704 159 H SER 23 H SER 23 9.964 21.279 9.493 160 HA SER 23 HA SER 23 7.809 22.882 10.531 161 HB2 SER 23 1HB SER 23 7.701 23.728 8.203 162 HB3 SER 23 2HB SER 23 9.312 23.851 8.909 163 HG SER 23 HG SER 23 9.635 22.956 6.956 164 H VAL 24 H VAL 24 8.266 19.897 8.997 165 HA VAL 24 HA VAL 24 6.923 18.170 8.416 166 HB VAL 24 HB VAL 24 4.546 19.737 9.544 167 HG11 VAL 24 1HG1 VAL 24 3.558 17.536 9.977 168 HG12 VAL 24 2HG1 VAL 24 4.979 16.776 9.252 169 HG13 VAL 24 3HG1 VAL 24 3.913 17.768 8.259 170 HG21 VAL 24 3HG2 VAL 24 6.385 17.862 11.032 171 HG22 VAL 24 1HG2 VAL 24 4.930 18.613 11.684 172 HG23 VAL 24 2HG2 VAL 24 6.313 19.613 11.236 173 H LEU 25 H LEU 25 7.258 20.766 6.874 174 HA LEU 25 HA LEU 25 5.013 20.784 5.042 175 HB2 LEU 25 1HB LEU 25 7.582 22.256 5.081 176 HB3 LEU 25 2HB LEU 25 6.295 22.497 3.910 177 HG LEU 25 HG LEU 25 6.318 23.162 6.836 178 HD11 LEU 25 1HD1 LEU 25 7.199 24.739 5.263 179 HD12 LEU 25 2HD1 LEU 25 5.620 25.304 5.910 180 HD13 LEU 25 3HD1 LEU 25 5.726 24.490 4.322 181 HD21 LEU 25 3HD2 LEU 25 3.948 23.804 6.596 182 HD22 LEU 25 1HD2 LEU 25 4.189 22.062 6.449 183 HD23 LEU 25 2HD2 LEU 25 3.927 23.038 5.006 184 H TYR 26 H TYR 26 5.387 20.480 2.744 185 HA TYR 26 HA TYR 26 7.545 18.587 2.254 186 HB2 TYR 26 1HB TYR 26 4.755 18.644 1.127 187 HB3 TYR 26 2HB TYR 26 6.056 17.796 0.292 188 HD1 TYR 26 HD1 TYR 26 4.102 17.902 3.449 189 HD2 TYR 26 HD2 TYR 26 6.848 15.705 1.053 190 HE1 TYR 26 HE1 TYR 26 3.822 15.954 4.924 191 HE2 TYR 26 HE2 TYR 26 6.586 13.758 2.498 192 HH TYR 26 HH TYR 26 4.096 13.529 4.843 193 H TYR 27 H TYR 27 8.969 18.930 0.792 194 HA TYR 27 HA TYR 27 8.658 21.285 -0.929 195 HB2 TYR 27 1HB TYR 27 10.981 20.341 0.696 196 HB3 TYR 27 2HB TYR 27 11.205 21.426 -0.672 197 HD1 TYR 27 HD1 TYR 27 9.579 21.100 2.652 198 HD2 TYR 27 HD2 TYR 27 10.806 23.707 -0.456 199 HE1 TYR 27 HE1 TYR 27 9.124 23.040 4.099 200 HE2 TYR 27 HE2 TYR 27 10.353 25.640 0.963 201 HH TYR 27 HH TYR 27 9.790 25.334 4.294 202 H GLU 28 H GLU 28 9.859 21.206 -2.866 203 HA GLU 28 HA GLU 28 10.069 18.515 -3.959 204 HB2 GLU 28 1HB GLU 28 8.864 20.323 -5.198 205 HB3 GLU 28 2HB GLU 28 10.371 21.221 -5.282 206 HG2 GLU 28 1HG GLU 28 11.358 19.510 -6.672 207 HG3 GLU 28 2HG GLU 28 9.905 18.520 -6.519 208 H VAL 29 H VAL 29 11.995 17.553 -4.194 209 HA VAL 29 HA VAL 29 14.453 19.131 -3.947 210 HB VAL 29 HB VAL 29 15.380 17.441 -2.398 211 HG11 VAL 29 1HG1 VAL 29 14.147 18.069 -0.401 212 HG12 VAL 29 2HG1 VAL 29 12.838 18.680 -1.415 213 HG13 VAL 29 3HG1 VAL 29 14.425 19.447 -1.464 214 HG21 VAL 29 3HG2 VAL 29 14.000 15.542 -3.003 215 HG22 VAL 29 1HG2 VAL 29 12.579 16.333 -2.323 216 HG23 VAL 29 2HG2 VAL 29 13.904 15.844 -1.268 217 H GLN 30 H GLN 30 16.352 17.707 -4.495 218 HA GLN 30 HA GLN 30 15.535 15.631 -6.412 219 HB2 GLN 30 1HB GLN 30 18.232 17.000 -6.425 220 HB3 GLN 30 2HB GLN 30 17.498 16.057 -7.706 221 HG2 GLN 30 1HG GLN 30 17.249 18.156 -8.575 222 HG3 GLN 30 2HG GLN 30 15.745 18.035 -7.672 223 HE21 GLN 30 2HE2 GLN 30 15.546 20.223 -7.325 224 HE22 GLN 30 1HE2 GLN 30 16.593 21.108 -6.271 225 H VAL 31 H VAL 31 16.257 13.629 -5.882 226 HA VAL 31 HA VAL 31 17.623 13.371 -3.378 227 HB VAL 31 HB VAL 31 15.904 11.663 -4.090 228 HG11 VAL 31 1HG1 VAL 31 17.754 11.083 -6.251 229 HG12 VAL 31 2HG1 VAL 31 16.048 11.528 -6.288 230 HG13 VAL 31 3HG1 VAL 31 16.542 9.950 -5.664 231 HG21 VAL 31 3HG2 VAL 31 17.558 10.991 -2.407 232 HG22 VAL 31 1HG2 VAL 31 18.650 10.481 -3.695 233 HG23 VAL 31 2HG2 VAL 31 17.119 9.642 -3.453 234 H THR 32 H THR 32 19.750 13.104 -3.005 235 HA THR 32 HA THR 32 21.347 13.164 -5.435 236 HB THR 32 HB THR 32 21.474 15.276 -4.197 237 HG1 THR 32 HG1 THR 32 23.300 14.554 -5.354 238 HG21 THR 32 3HG2 THR 32 22.704 13.656 -1.968 239 HG22 THR 32 1HG2 THR 32 21.151 14.488 -1.914 240 HG23 THR 32 2HG2 THR 32 22.644 15.419 -2.030 241 H SER 33 H SER 33 21.010 11.587 -2.306 242 HA SER 33 HA SER 33 22.380 9.346 -3.346 243 HB2 SER 33 1HB SER 33 24.336 10.860 -2.645 244 HB3 SER 33 2HB SER 33 23.785 10.648 -0.984 245 HG SER 33 HG SER 33 24.645 8.662 -2.802 246 H TYR 34 H TYR 34 22.871 7.890 -1.200 247 HA TYR 34 HA TYR 34 20.659 8.034 0.647 248 HB2 TYR 34 1HB TYR 34 19.526 6.870 -1.086 249 HB3 TYR 34 2HB TYR 34 20.942 5.917 -1.484 250 HD1 TYR 34 HD1 TYR 34 18.661 6.465 1.448 251 HD2 TYR 34 HD2 TYR 34 20.905 3.714 -0.863 252 HE1 TYR 34 HE1 TYR 34 17.800 4.618 2.820 253 HE2 TYR 34 HE2 TYR 34 20.057 1.860 0.493 254 HH TYR 34 HH TYR 34 19.136 1.459 2.620 255 H ASP 35 H ASP 35 21.302 7.302 2.556 256 HA ASP 35 HA ASP 35 23.776 5.728 2.742 257 HB2 ASP 35 1HB ASP 35 23.612 7.724 4.212 258 HB3 ASP 35 2HB ASP 35 22.109 7.099 4.885 259 H ASP 36 H ASP 36 23.578 3.632 3.005 260 HA ASP 36 HA ASP 36 20.897 2.560 3.211 261 HB2 ASP 36 1HB ASP 36 21.910 0.350 2.649 262 HB3 ASP 36 2HB ASP 36 22.147 1.588 1.429 263 H ALA 37 H ALA 37 23.597 2.946 5.193 264 HA ALA 37 HA ALA 37 23.089 0.765 6.932 265 HB1 ALA 37 1HB ALA 37 24.620 1.917 8.470 266 HB2 ALA 37 2HB ALA 37 24.579 3.335 7.419 267 HB3 ALA 37 3HB ALA 37 25.274 1.826 6.834 268 H SER 38 H SER 38 22.309 4.251 7.128 269 HA SER 38 HA SER 38 20.588 3.640 9.404 270 HB2 SER 38 1HB SER 38 21.384 6.283 8.185 271 HB3 SER 38 2HB SER 38 20.494 6.055 9.695 272 HG SER 38 HG SER 38 23.102 5.093 9.143 273 H HIS 39 H HIS 39 20.286 3.664 6.131 274 HA HIS 39 HA HIS 39 18.626 3.811 4.618 275 HB2 HIS 39 1HB HIS 39 16.804 3.524 7.035 276 HB3 HIS 39 2HB HIS 39 16.277 3.382 5.365 277 HD1 HIS 39 HD1 HIS 39 17.263 1.240 4.029 278 HD2 HIS 39 HD2 HIS 39 17.844 1.283 8.142 279 HE1 HIS 39 HE1 HIS 39 17.816 -1.131 4.682 280 H LEU 40 H LEU 40 19.701 6.118 5.109 281 HA LEU 40 HA LEU 40 17.509 8.094 5.351 282 HB2 LEU 40 1HB LEU 40 20.357 8.172 6.222 283 HB3 LEU 40 2HB LEU 40 19.708 9.646 5.555 284 HG LEU 40 HG LEU 40 19.690 9.634 8.010 285 HD11 LEU 40 1HD1 LEU 40 16.935 9.616 6.835 286 HD12 LEU 40 2HD1 LEU 40 18.059 10.971 6.873 287 HD13 LEU 40 3HD1 LEU 40 17.405 10.326 8.379 288 HD21 LEU 40 3HD2 LEU 40 17.728 7.368 7.770 289 HD22 LEU 40 1HD2 LEU 40 18.144 8.223 9.253 290 HD23 LEU 40 2HD2 LEU 40 19.365 7.263 8.412 291 H TYR 41 H TYR 41 17.154 9.454 3.617 292 HA TYR 41 HA TYR 41 18.890 8.968 1.317 293 HB2 TYR 41 1HB TYR 41 16.039 9.925 1.533 294 HB3 TYR 41 2HB TYR 41 16.974 10.078 0.054 295 HD1 TYR 41 HD2 TYR 41 15.908 7.513 2.539 296 HD2 TYR 41 HD1 TYR 41 16.857 8.372 -1.516 297 HE1 TYR 41 HE2 TYR 41 15.228 5.249 1.900 298 HE2 TYR 41 HE1 TYR 41 16.167 6.102 -2.162 299 HH TYR 41 HH TYR 41 14.557 4.024 0.105 300 H THR 42 H THR 42 20.136 10.557 0.664 301 HA THR 42 HA THR 42 19.828 13.089 2.033 302 HB THR 42 HB THR 42 22.010 12.249 0.101 303 HG1 THR 42 HG1 THR 42 23.147 11.553 1.883 304 HG21 THR 42 3HG2 THR 42 21.898 14.301 2.326 305 HG22 THR 42 1HG2 THR 42 21.873 14.648 0.600 306 HG23 THR 42 2HG2 THR 42 23.317 13.950 1.340 307 H VAL 43 H VAL 43 19.009 14.744 1.005 308 HA VAL 43 HA VAL 43 18.576 14.582 -1.877 309 HB VAL 43 HB VAL 43 16.430 15.768 -1.560 310 HG11 VAL 43 1HG1 VAL 43 16.610 13.145 -0.088 311 HG12 VAL 43 2HG1 VAL 43 16.337 13.375 -1.819 312 HG13 VAL 43 3HG1 VAL 43 15.118 13.888 -0.659 313 HG21 VAL 43 3HG2 VAL 43 15.390 15.893 0.672 314 HG22 VAL 43 1HG2 VAL 43 16.871 16.851 0.583 315 HG23 VAL 43 2HG2 VAL 43 16.880 15.280 1.389 316 H LYS 44 H LYS 44 18.304 16.666 -2.820 317 HA LYS 44 HA LYS 44 19.808 18.710 -1.383 318 HB2 LYS 44 1HB LYS 44 21.178 17.697 -3.082 319 HB3 LYS 44 2HB LYS 44 19.891 17.842 -4.265 320 HG2 LYS 44 1HG LYS 44 20.171 20.193 -4.401 321 HG3 LYS 44 2HG LYS 44 21.240 20.211 -2.997 322 HD2 LYS 44 1HD LYS 44 22.462 20.409 -5.134 323 HD3 LYS 44 2HD LYS 44 22.932 18.988 -4.211 324 HE2 LYS 44 1HE LYS 44 22.745 18.433 -6.565 325 HE3 LYS 44 2HE LYS 44 21.504 17.600 -5.648 326 HZ1 LYS 44 3HZ LYS 44 21.106 20.048 -7.294 327 HZ2 LYS 44 1HZ LYS 44 19.890 19.272 -6.412 328 HZ3 LYS 44 2HZ LYS 44 20.632 18.487 -7.691 329 H TYR 45 H TYR 45 18.888 20.663 -1.369 330 HA TYR 45 HA TYR 45 16.292 20.954 -2.604 331 HB2 TYR 45 1HB TYR 45 17.768 22.573 -0.539 332 HB3 TYR 45 2HB TYR 45 16.303 23.176 -1.298 333 HD1 TYR 45 HD1 TYR 45 17.642 20.343 0.712 334 HD2 TYR 45 HD2 TYR 45 14.196 22.473 -0.573 335 HE1 TYR 45 HE1 TYR 45 16.251 19.022 2.246 336 HE2 TYR 45 HE2 TYR 45 12.807 21.170 0.941 337 HH TYR 45 HH TYR 45 12.853 18.985 2.106 338 H LYS 46 H LYS 46 15.768 22.959 -3.597 339 HA LYS 46 HA LYS 46 17.322 23.412 -5.861 340 HB2 LYS 46 1HB LYS 46 14.846 23.711 -5.550 341 HB3 LYS 46 2HB LYS 46 15.200 25.219 -4.728 342 HG2 LYS 46 1HG LYS 46 14.562 25.615 -6.994 343 HG3 LYS 46 2HG LYS 46 16.266 26.043 -6.719 344 HD2 LYS 46 1HD LYS 46 17.051 24.110 -7.827 345 HD3 LYS 46 2HD LYS 46 15.461 23.351 -7.798 346 HE2 LYS 46 1HE LYS 46 16.000 24.070 -10.040 347 HE3 LYS 46 2HE LYS 46 14.669 25.020 -9.398 348 HZ1 LYS 46 3HZ LYS 46 17.486 25.936 -9.482 349 HZ2 LYS 46 1HZ LYS 46 16.135 26.875 -9.062 350 HZ3 LYS 46 2HZ LYS 46 16.313 26.293 -10.637 351 H ASP 47 H ASP 47 17.334 24.846 -2.742 352 HA ASP 47 HA ASP 47 18.814 27.190 -3.498 353 HB2 ASP 47 1HB ASP 47 18.060 26.074 -0.788 354 HB3 ASP 47 2HB ASP 47 18.967 27.563 -1.011 355 H GLY 48 H GLY 48 19.709 24.051 -3.324 356 HA2 GLY 48 1HA GLY 48 21.937 23.399 -3.768 357 HA3 GLY 48 2HA GLY 48 22.508 24.825 -2.909 358 H THR 49 H THR 49 20.738 24.401 -0.687 359 HA THR 49 HA THR 49 22.280 23.088 1.152 360 HB THR 49 HB THR 49 19.285 23.369 1.213 361 HG1 THR 49 HG1 THR 49 19.625 25.513 1.764 362 HG21 THR 49 3HG2 THR 49 20.338 22.252 3.153 363 HG22 THR 49 1HG2 THR 49 19.675 23.824 3.600 364 HG23 THR 49 2HG2 THR 49 21.412 23.638 3.354 365 H GLU 50 H GLU 50 22.540 20.877 1.598 366 HA GLU 50 HA GLU 50 20.481 19.159 0.509 367 HB2 GLU 50 1HB GLU 50 22.213 17.280 0.780 368 HB3 GLU 50 2HB GLU 50 22.456 18.432 -0.512 369 HG2 GLU 50 1HG GLU 50 24.559 18.016 0.411 370 HG3 GLU 50 2HG GLU 50 24.083 19.609 0.974 371 H LEU 51 H LEU 51 19.736 17.391 1.688 372 HA LEU 51 HA LEU 51 19.951 17.677 4.592 373 HB2 LEU 51 1HB LEU 51 18.067 19.039 3.719 374 HB3 LEU 51 2HB LEU 51 17.404 17.575 3.020 375 HG LEU 51 HG LEU 51 17.189 16.647 5.322 376 HD11 LEU 51 1HD1 LEU 51 18.838 18.016 6.461 377 HD12 LEU 51 2HD1 LEU 51 17.251 18.215 7.203 378 HD13 LEU 51 3HD1 LEU 51 17.889 19.463 6.133 379 HD21 LEU 51 3HD2 LEU 51 15.743 19.220 4.753 380 HD22 LEU 51 1HD2 LEU 51 15.225 17.947 5.853 381 HD23 LEU 51 2HD2 LEU 51 15.321 17.624 4.122 382 H ALA 52 H ALA 52 19.383 15.691 5.674 383 HA ALA 52 HA ALA 52 18.942 13.427 3.864 384 HB1 ALA 52 1HB ALA 52 20.062 13.445 6.676 385 HB2 ALA 52 2HB ALA 52 20.999 13.240 5.199 386 HB3 ALA 52 3HB ALA 52 19.822 12.014 5.672 387 H LEU 53 H LEU 53 17.115 12.334 4.105 388 HA LEU 53 HA LEU 53 15.528 12.662 6.490 389 HB2 LEU 53 1HB LEU 53 13.467 12.917 4.904 390 HB3 LEU 53 2HB LEU 53 14.406 14.320 5.368 391 HG LEU 53 HG LEU 53 15.562 14.264 3.181 392 HD11 LEU 53 1HD1 LEU 53 13.687 12.073 2.519 393 HD12 LEU 53 2HD1 LEU 53 15.439 11.910 2.796 394 HD13 LEU 53 3HD1 LEU 53 14.826 12.876 1.436 395 HD21 LEU 53 3HD2 LEU 53 13.640 14.809 1.768 396 HD22 LEU 53 1HD2 LEU 53 13.571 15.628 3.349 397 HD23 LEU 53 2HD2 LEU 53 12.586 14.187 3.030 398 H LYS 54 H LYS 54 13.438 11.202 6.212 399 HA LYS 54 HA LYS 54 14.527 8.557 5.758 400 HB2 LYS 54 1HB LYS 54 11.818 9.465 6.710 401 HB3 LYS 54 2HB LYS 54 12.359 7.796 6.645 402 HG2 LYS 54 1HG LYS 54 14.044 8.241 8.304 403 HG3 LYS 54 2HG LYS 54 13.627 9.954 8.308 404 HD2 LYS 54 1HD LYS 54 11.382 9.414 9.084 405 HD3 LYS 54 2HD LYS 54 11.775 7.698 9.064 406 HE2 LYS 54 1HE LYS 54 13.522 8.093 10.733 407 HE3 LYS 54 2HE LYS 54 13.103 9.806 10.748 408 HZ1 LYS 54 3HZ LYS 54 10.892 9.211 11.541 409 HZ2 LYS 54 1HZ LYS 54 12.075 8.610 12.575 410 HZ3 LYS 54 2HZ LYS 54 11.308 7.577 11.515 411 H GLU 55 H GLU 55 13.461 7.005 4.428 412 HA GLU 55 HA GLU 55 12.588 7.909 1.906 413 HB2 GLU 55 1HB GLU 55 11.627 5.405 1.861 414 HB3 GLU 55 2HB GLU 55 13.315 5.772 1.598 415 HG2 GLU 55 1HG GLU 55 12.949 3.839 3.108 416 HG3 GLU 55 2HG GLU 55 13.853 5.138 3.877 417 H SER 56 H SER 56 10.917 7.143 4.823 418 HA SER 56 HA SER 56 8.303 7.085 3.734 419 HB2 SER 56 1HB SER 56 9.242 7.588 6.566 420 HB3 SER 56 2HB SER 56 7.593 7.187 6.088 421 HG SER 56 HG SER 56 9.825 5.464 5.526 422 H ASP 57 H ASP 57 10.492 9.636 4.281 423 HA ASP 57 HA ASP 57 8.364 11.609 4.598 424 HB2 ASP 57 1HB ASP 57 11.372 11.951 4.550 425 HB3 ASP 57 2HB ASP 57 10.234 13.274 4.707 426 H ILE 58 H ILE 58 9.828 9.917 2.186 427 HA ILE 58 HA ILE 58 9.873 12.195 0.369 428 HB ILE 58 HB ILE 58 11.052 9.431 0.021 429 HG12 ILE 58 1HG1 ILE 58 12.300 12.134 0.443 430 HG13 ILE 58 2HG1 ILE 58 12.280 10.787 1.576 431 HG21 ILE 58 1HG2 ILE 58 11.176 11.822 -1.811 432 HG22 ILE 58 2HG2 ILE 58 10.280 10.334 -2.123 433 HG23 ILE 58 3HG2 ILE 58 12.045 10.305 -2.047 434 HD11 ILE 58 3HD1 ILE 58 13.645 10.793 -1.098 435 HD12 ILE 58 1HD1 ILE 58 13.694 9.491 0.101 436 HD13 ILE 58 2HD1 ILE 58 14.403 11.079 0.464 437 H ARG 59 H ARG 59 8.548 12.389 -1.115 438 HA ARG 59 HA ARG 59 6.846 10.157 -2.003 439 HB2 ARG 59 1HB ARG 59 6.104 13.100 -1.761 440 HB3 ARG 59 2HB ARG 59 5.079 11.860 -2.473 441 HG2 ARG 59 1HG ARG 59 4.912 10.732 -0.326 442 HG3 ARG 59 2HG ARG 59 5.989 11.924 0.398 443 HD2 ARG 59 1HD ARG 59 4.367 13.678 -0.067 444 HD3 ARG 59 2HD ARG 59 3.287 12.504 -0.819 445 HE ARG 59 HE ARG 59 3.977 11.698 1.794 446 HH11 ARG 59 1HH1 ARG 59 1.944 14.074 0.148 447 HH12 ARG 59 2HH1 ARG 59 0.770 14.144 1.379 448 HH21 ARG 59 1HH2 ARG 59 2.389 11.788 3.477 449 HH22 ARG 59 2HH2 ARG 59 1.016 12.798 3.320 450 H LEU 60 H LEU 60 6.265 10.513 -4.374 451 HA LEU 60 HA LEU 60 8.648 11.416 -5.722 452 HB2 LEU 60 1HB LEU 60 6.038 10.429 -6.879 453 HB3 LEU 60 2HB LEU 60 7.507 10.694 -7.785 454 HG LEU 60 HG LEU 60 7.064 8.597 -5.670 455 HD11 LEU 60 1HD1 LEU 60 6.012 8.168 -7.823 456 HD12 LEU 60 2HD1 LEU 60 7.327 7.040 -7.494 457 HD13 LEU 60 3HD1 LEU 60 7.566 8.370 -8.627 458 HD21 LEU 60 3HD2 LEU 60 9.355 9.400 -5.525 459 HD22 LEU 60 1HD2 LEU 60 9.551 9.226 -7.270 460 HD23 LEU 60 2HD2 LEU 60 9.315 7.802 -6.262 461 H GLN 61 H GLN 61 8.478 12.912 -7.670 462 HA GLN 61 HA GLN 61 7.576 15.450 -6.810 463 HB2 GLN 61 1HB GLN 61 9.446 14.866 -8.491 464 HB3 GLN 61 2HB GLN 61 8.178 14.652 -9.678 465 HG2 GLN 61 1HG GLN 61 8.632 17.236 -8.202 466 HG3 GLN 61 2HG GLN 61 9.409 16.845 -9.729 467 HE21 GLN 61 2HE2 GLN 61 7.609 18.994 -9.041 468 HE22 GLN 61 1HE2 GLN 61 6.274 18.868 -10.133 469 H SER 62 H SER 62 6.284 13.078 -8.986 470 HA SER 62 HA SER 62 3.652 14.286 -8.678 471 HB2 SER 62 1HB SER 62 4.444 13.865 -11.063 472 HB3 SER 62 2HB SER 62 4.594 12.159 -10.655 473 HG SER 62 HG SER 62 2.386 13.669 -11.215 474 H SER 63 H SER 63 3.077 13.478 -6.751 475 HA SER 63 HA SER 63 4.283 11.244 -5.609 476 HB2 SER 63 1HB SER 63 1.849 12.752 -4.699 477 HB3 SER 63 2HB SER 63 2.854 11.691 -3.708 478 HG SER 63 HG SER 63 4.542 13.355 -4.825 479 H PHE 64 H PHE 64 1.535 11.357 -7.641 480 HA PHE 64 HA PHE 64 0.629 8.801 -6.613 481 HB2 PHE 64 1HB PHE 64 -0.541 10.591 -8.758 482 HB3 PHE 64 2HB PHE 64 -1.211 9.024 -8.317 483 HD1 PHE 64 HD1 PHE 64 -2.329 8.700 -6.185 484 HD2 PHE 64 HD2 PHE 64 -0.743 12.489 -7.271 485 HE1 PHE 64 HE1 PHE 64 -3.612 9.748 -4.369 486 HE2 PHE 64 HE2 PHE 64 -2.030 13.553 -5.459 487 HZ PHE 64 HZ PHE 64 -3.466 12.181 -4.004 488 H LYS 65 H LYS 65 2.007 7.283 -7.136 489 HA LYS 65 HA LYS 65 3.344 7.362 -9.665 490 HB2 LYS 65 1HB LYS 65 4.641 6.712 -7.701 491 HB3 LYS 65 2HB LYS 65 3.589 5.331 -7.450 492 HG2 LYS 65 1HG LYS 65 5.755 4.739 -8.520 493 HG3 LYS 65 2HG LYS 65 4.350 4.280 -9.480 494 HD2 LYS 65 1HD LYS 65 4.648 6.278 -10.875 495 HD3 LYS 65 2HD LYS 65 6.041 6.756 -9.904 496 HE2 LYS 65 1HE LYS 65 6.670 5.694 -12.030 497 HE3 LYS 65 2HE LYS 65 7.252 4.798 -10.634 498 HZ1 LYS 65 3HZ LYS 65 6.271 3.484 -12.485 499 HZ2 LYS 65 1HZ LYS 65 4.741 4.039 -12.079 500 HZ3 LYS 65 2HZ LYS 65 5.665 3.119 -10.976 501 H GLN 66 H GLN 66 2.430 6.749 -11.355 502 HA GLN 66 HA GLN 66 0.898 4.271 -11.340 503 HB2 GLN 66 1HB GLN 66 0.537 6.752 -13.045 504 HB3 GLN 66 2HB GLN 66 -0.391 5.265 -13.198 505 HG2 GLN 66 1HG GLN 66 -1.422 5.593 -11.087 506 HG3 GLN 66 2HG GLN 66 -0.308 6.893 -10.677 507 HE21 GLN 66 2HE2 GLN 66 -0.623 8.899 -11.530 508 HE22 GLN 66 1HE2 GLN 66 -2.075 9.351 -12.328 Start of MODEL 4 1 H1 GLY 1 H GLY 1 3.594 -5.089 -17.151 2 HA2 GLY 1 2HA GLY 1 5.135 -3.448 -16.254 3 HA3 GLY 1 1HA GLY 1 3.782 -3.766 -15.169 4 H ALA 2 H ALA 2 6.304 -2.714 -14.410 5 HA ALA 2 HA ALA 2 7.595 -4.936 -13.012 6 HB1 ALA 2 1HB ALA 2 9.066 -3.474 -14.320 7 HB2 ALA 2 2HB ALA 2 9.421 -3.335 -12.596 8 HB3 ALA 2 3HB ALA 2 8.494 -2.077 -13.412 9 H MET 3 H MET 3 8.499 -3.992 -10.780 10 HA MET 3 HA MET 3 6.124 -3.243 -9.293 11 HB2 MET 3 1HB MET 3 7.520 -5.097 -8.473 12 HB3 MET 3 2HB MET 3 8.903 -4.021 -8.374 13 HG2 MET 3 1HG MET 3 7.922 -4.423 -6.187 14 HG3 MET 3 2HG MET 3 7.795 -2.728 -6.643 15 HE1 MET 3 3HE MET 3 6.168 -4.049 -4.260 16 HE2 MET 3 1HE MET 3 4.573 -3.335 -4.510 17 HE3 MET 3 2HE MET 3 6.023 -2.352 -4.717 18 H GLY 4 H GLY 4 5.759 -1.238 -8.593 19 HA2 GLY 4 1HA GLY 4 7.152 0.998 -9.470 20 HA3 GLY 4 2HA GLY 4 6.024 0.998 -8.124 21 H MET 5 H MET 5 7.399 -0.634 -6.395 22 HA MET 5 HA MET 5 9.988 0.616 -6.069 23 HB2 MET 5 1HB MET 5 9.629 0.755 -3.575 24 HB3 MET 5 2HB MET 5 8.655 1.865 -4.512 25 HG2 MET 5 1HG MET 5 7.633 -0.735 -3.363 26 HG3 MET 5 2HG MET 5 7.491 0.828 -2.565 27 HE1 MET 5 3HE MET 5 3.798 0.104 -3.650 28 HE2 MET 5 1HE MET 5 4.867 0.556 -2.320 29 HE3 MET 5 2HE MET 5 4.997 -1.040 -3.048 30 HA PRO 6 HA PRO 6 10.628 -3.878 -6.175 31 HB2 PRO 6 1HB PRO 6 13.418 -2.890 -6.510 32 HB3 PRO 6 2HB PRO 6 12.528 -4.066 -7.481 33 HG2 PRO 6 1HG PRO 6 12.987 -1.625 -8.425 34 HG3 PRO 6 2HG PRO 6 11.429 -2.419 -8.704 35 HD2 PRO 6 1HD PRO 6 12.133 -0.283 -6.728 36 HD3 PRO 6 2HD PRO 6 10.685 -0.449 -7.743 37 H ASN 7 H ASN 7 12.767 -1.572 -4.662 38 HA ASN 7 HA ASN 7 12.688 -3.012 -2.115 39 HB2 ASN 7 1HB ASN 7 14.763 -3.786 -3.333 40 HB3 ASN 7 2HB ASN 7 15.276 -2.112 -3.462 41 HD21 ASN 7 2HD2 ASN 7 16.602 -4.379 -2.249 42 HD22 ASN 7 1HD2 ASN 7 16.888 -3.976 -0.601 43 H ARG 8 H ARG 8 14.197 -0.387 -3.880 44 HA ARG 8 HA ARG 8 12.900 1.528 -2.102 45 HB2 ARG 8 1HB ARG 8 15.672 1.760 -3.361 46 HB3 ARG 8 2HB ARG 8 14.856 3.009 -2.452 47 HG2 ARG 8 1HG ARG 8 14.966 1.623 -0.452 48 HG3 ARG 8 2HG ARG 8 15.781 0.362 -1.391 49 HD2 ARG 8 1HD ARG 8 16.771 3.150 -1.010 50 HD3 ARG 8 2HD ARG 8 17.346 1.709 -0.176 51 HE ARG 8 HE ARG 8 18.085 0.857 -2.310 52 HH11 ARG 8 1HH1 ARG 8 17.325 4.329 -2.287 53 HH12 ARG 8 2HH1 ARG 8 18.441 4.705 -3.520 54 HH21 ARG 8 1HH2 ARG 8 19.555 1.373 -4.000 55 HH22 ARG 8 2HH2 ARG 8 19.757 2.992 -4.514 56 H LYS 9 H LYS 9 12.237 3.428 -3.267 57 HA LYS 9 HA LYS 9 11.843 2.893 -6.113 58 HB2 LYS 9 1HB LYS 9 9.965 3.559 -4.438 59 HB3 LYS 9 2HB LYS 9 10.671 5.158 -4.480 60 HG2 LYS 9 1HG LYS 9 9.504 3.680 -6.843 61 HG3 LYS 9 2HG LYS 9 8.708 4.964 -5.939 62 HD2 LYS 9 1HD LYS 9 10.414 6.550 -6.676 63 HD3 LYS 9 2HD LYS 9 11.282 5.257 -7.497 64 HE2 LYS 9 1HE LYS 9 9.277 4.919 -8.917 65 HE3 LYS 9 2HE LYS 9 8.560 6.346 -8.185 66 HZ1 LYS 9 3HZ LYS 9 10.964 6.174 -9.900 67 HZ2 LYS 9 1HZ LYS 9 10.688 7.541 -8.942 68 HZ3 LYS 9 2HZ LYS 9 9.593 7.113 -10.149 69 H TYR 10 H TYR 10 13.214 5.160 -3.828 70 HA TYR 10 HA TYR 10 13.760 7.095 -5.885 71 HB2 TYR 10 1HB TYR 10 14.481 7.280 -2.960 72 HB3 TYR 10 2HB TYR 10 14.317 8.604 -4.113 73 HD1 TYR 10 HD1 TYR 10 11.873 8.547 -5.348 74 HD2 TYR 10 HD2 TYR 10 12.745 7.061 -1.460 75 HE1 TYR 10 HE1 TYR 10 9.500 8.735 -4.749 76 HE2 TYR 10 HE2 TYR 10 10.377 7.246 -0.850 77 HH TYR 10 HH TYR 10 8.412 8.402 -1.513 78 H ALA 11 H ALA 11 15.283 6.334 -7.137 79 HA ALA 11 HA ALA 11 17.773 5.317 -6.070 80 HB1 ALA 11 1HB ALA 11 16.850 5.843 -8.893 81 HB2 ALA 11 2HB ALA 11 16.809 4.287 -8.064 82 HB3 ALA 11 3HB ALA 11 18.355 5.042 -8.449 83 H ASP 12 H ASP 12 19.765 6.368 -6.468 84 HA ASP 12 HA ASP 12 19.685 9.106 -5.989 85 HB2 ASP 12 1HB ASP 12 22.178 9.061 -6.217 86 HB3 ASP 12 2HB ASP 12 21.540 7.843 -5.129 87 H GLY 13 H GLY 13 19.502 10.804 -7.189 88 HA2 GLY 13 1HA GLY 13 20.226 12.057 -9.126 89 HA3 GLY 13 2HA GLY 13 20.043 10.586 -10.066 90 H GLU 14 H GLU 14 17.465 10.287 -8.183 91 HA GLU 14 HA GLU 14 15.767 11.260 -10.265 92 HB2 GLU 14 1HB GLU 14 15.355 9.072 -9.246 93 HB3 GLU 14 2HB GLU 14 15.120 9.831 -7.681 94 HG2 GLU 14 1HG GLU 14 13.066 10.770 -8.321 95 HG3 GLU 14 2HG GLU 14 13.377 10.519 -10.032 96 H VAL 15 H VAL 15 14.313 12.937 -10.180 97 HA VAL 15 HA VAL 15 14.694 14.765 -7.975 98 HB VAL 15 HB VAL 15 14.513 15.701 -10.267 99 HG11 VAL 15 1HG1 VAL 15 13.049 14.109 -11.320 100 HG12 VAL 15 2HG1 VAL 15 12.385 15.733 -11.493 101 HG13 VAL 15 3HG1 VAL 15 11.707 14.625 -10.301 102 HG21 VAL 15 3HG2 VAL 15 13.841 17.132 -8.435 103 HG22 VAL 15 1HG2 VAL 15 12.201 16.494 -8.512 104 HG23 VAL 15 2HG2 VAL 15 12.839 17.451 -9.849 105 H VAL 16 H VAL 16 13.335 14.952 -6.320 106 HA VAL 16 HA VAL 16 10.907 13.327 -6.318 107 HB VAL 16 HB VAL 16 11.508 12.449 -4.052 108 HG11 VAL 16 1HG1 VAL 16 13.074 10.724 -4.824 109 HG12 VAL 16 2HG1 VAL 16 13.435 11.694 -6.250 110 HG13 VAL 16 3HG1 VAL 16 11.815 11.036 -6.022 111 HG21 VAL 16 3HG2 VAL 16 14.238 13.575 -4.702 112 HG22 VAL 16 1HG2 VAL 16 13.876 12.490 -3.357 113 HG23 VAL 16 2HG2 VAL 16 13.164 14.101 -3.402 114 H MET 17 H MET 17 9.630 13.790 -4.151 115 HA MET 17 HA MET 17 10.072 16.535 -3.432 116 HB2 MET 17 1HB MET 17 7.941 16.187 -4.494 117 HB3 MET 17 2HB MET 17 7.625 14.769 -3.505 118 HG2 MET 17 1HG MET 17 7.445 16.070 -1.575 119 HG3 MET 17 2HG MET 17 7.981 17.502 -2.467 120 HE1 MET 17 3HE MET 17 4.933 18.336 -4.724 121 HE2 MET 17 1HE MET 17 6.412 17.469 -5.150 122 HE3 MET 17 2HE MET 17 6.486 18.870 -4.083 123 H GLY 18 H GLY 18 10.542 16.893 -1.310 124 HA2 GLY 18 1HA GLY 18 10.394 14.556 0.506 125 HA3 GLY 18 2HA GLY 18 11.813 15.494 0.375 126 H ARG 19 H ARG 19 10.054 15.052 2.596 127 HA ARG 19 HA ARG 19 8.826 17.616 3.209 128 HB2 ARG 19 1HB ARG 19 7.775 15.452 3.842 129 HB3 ARG 19 2HB ARG 19 9.166 15.095 4.849 130 HG2 ARG 19 1HG ARG 19 8.622 17.087 6.215 131 HG3 ARG 19 2HG ARG 19 7.168 17.313 5.243 132 HD2 ARG 19 1HD ARG 19 6.616 16.148 7.279 133 HD3 ARG 19 2HD ARG 19 6.405 15.060 5.909 134 HE ARG 19 HE ARG 19 8.974 14.610 6.811 135 HH11 ARG 19 1HH1 ARG 19 5.760 14.325 8.300 136 HH12 ARG 19 2HH1 ARG 19 6.243 13.086 9.364 137 HH21 ARG 19 1HH2 ARG 19 9.591 13.056 8.186 138 HH22 ARG 19 2HH2 ARG 19 8.545 12.341 9.350 139 H TRP 20 H TRP 20 9.630 18.997 4.770 140 HA TRP 20 HA TRP 20 12.418 18.617 5.434 141 HB2 TRP 20 1HB TRP 20 11.335 20.909 4.925 142 HB3 TRP 20 2HB TRP 20 10.643 20.808 6.544 143 HD1 TRP 20 HD1 TRP 20 12.471 20.817 8.627 144 HE1 TRP 20 HE1 TRP 20 14.818 21.872 8.757 145 HE3 TRP 20 HE3 TRP 20 13.301 21.524 3.657 146 HZ2 TRP 20 HZ2 TRP 20 16.760 22.892 6.970 147 HZ3 TRP 20 HZ3 TRP 20 15.412 22.552 2.933 148 HH2 TRP 20 HH2 TRP 20 17.097 23.221 4.516 149 HA PRO 21 HA PRO 21 11.375 16.093 8.923 150 HB2 PRO 21 1HB PRO 21 13.746 16.541 10.318 151 HB3 PRO 21 2HB PRO 21 13.490 15.283 9.104 152 HG2 PRO 21 1HG PRO 21 14.792 17.950 8.833 153 HG3 PRO 21 2HG PRO 21 15.187 16.420 8.031 154 HD2 PRO 21 1HD PRO 21 13.897 18.435 6.828 155 HD3 PRO 21 2HD PRO 21 13.569 16.739 6.398 156 H GLY 22 H GLY 22 10.045 16.655 10.441 157 HA2 GLY 22 1HA GLY 22 9.647 17.549 12.606 158 HA3 GLY 22 2HA GLY 22 10.693 18.905 12.197 159 H SER 23 H SER 23 9.329 18.874 9.464 160 HA SER 23 HA SER 23 7.043 20.480 10.323 161 HB2 SER 23 1HB SER 23 8.871 20.749 7.944 162 HB3 SER 23 2HB SER 23 7.482 21.780 8.248 163 HG SER 23 HG SER 23 8.746 21.872 10.452 164 H VAL 24 H VAL 24 5.461 20.741 8.354 165 HA VAL 24 HA VAL 24 4.903 18.034 7.339 166 HB VAL 24 HB VAL 24 3.185 19.175 8.779 167 HG11 VAL 24 1HG1 VAL 24 1.750 20.912 7.809 168 HG12 VAL 24 2HG1 VAL 24 2.849 21.026 6.433 169 HG13 VAL 24 3HG1 VAL 24 3.411 21.451 8.049 170 HG21 VAL 24 3HG2 VAL 24 2.508 17.354 7.335 171 HG22 VAL 24 1HG2 VAL 24 2.284 18.468 5.987 172 HG23 VAL 24 2HG2 VAL 24 1.231 18.566 7.399 173 H LEU 25 H LEU 25 6.202 20.908 6.331 174 HA LEU 25 HA LEU 25 5.003 20.931 3.791 175 HB2 LEU 25 1HB LEU 25 6.883 22.670 3.337 176 HB3 LEU 25 2HB LEU 25 5.468 23.104 4.264 177 HG LEU 25 HG LEU 25 6.787 22.855 6.331 178 HD11 LEU 25 1HD1 LEU 25 9.193 22.514 6.187 179 HD12 LEU 25 2HD1 LEU 25 9.010 22.320 4.417 180 HD13 LEU 25 3HD1 LEU 25 8.233 21.184 5.497 181 HD21 LEU 25 3HD2 LEU 25 8.062 24.626 4.263 182 HD22 LEU 25 1HD2 LEU 25 8.201 24.809 6.008 183 HD23 LEU 25 2HD2 LEU 25 6.637 25.018 5.219 184 H TYR 26 H TYR 26 5.697 20.499 1.863 185 HA TYR 26 HA TYR 26 8.032 18.732 1.622 186 HB2 TYR 26 1HB TYR 26 5.311 18.580 0.327 187 HB3 TYR 26 2HB TYR 26 6.712 17.801 -0.369 188 HD1 TYR 26 HD2 TYR 26 4.542 17.848 2.653 189 HD2 TYR 26 HD1 TYR 26 7.402 15.691 0.366 190 HE1 TYR 26 HE2 TYR 26 4.098 15.833 3.995 191 HE2 TYR 26 HE1 TYR 26 6.974 13.686 1.683 192 HH TYR 26 HH TYR 26 4.305 13.448 3.816 193 H TYR 27 H TYR 27 9.333 19.080 -0.088 194 HA TYR 27 HA TYR 27 8.604 21.176 -2.018 195 HB2 TYR 27 1HB TYR 27 11.230 20.851 -0.614 196 HB3 TYR 27 2HB TYR 27 10.945 21.951 -1.955 197 HD1 TYR 27 HD2 TYR 27 9.369 23.855 -1.619 198 HD2 TYR 27 HD1 TYR 27 10.725 21.445 1.594 199 HE1 TYR 27 HE2 TYR 27 8.769 25.642 -0.033 200 HE2 TYR 27 HE1 TYR 27 10.139 23.223 3.177 201 HH TYR 27 HH TYR 27 8.223 25.843 2.345 202 H GLU 28 H GLU 28 10.092 21.061 -3.913 203 HA GLU 28 HA GLU 28 10.571 18.248 -4.483 204 HB2 GLU 28 1HB GLU 28 9.098 19.384 -6.062 205 HB3 GLU 28 2HB GLU 28 10.317 20.611 -6.346 206 HG2 GLU 28 1HG GLU 28 11.739 19.052 -7.438 207 HG3 GLU 28 2HG GLU 28 10.714 17.700 -6.968 208 H VAL 29 H VAL 29 12.488 17.494 -4.672 209 HA VAL 29 HA VAL 29 14.810 19.278 -4.643 210 HB VAL 29 HB VAL 29 15.778 17.846 -2.831 211 HG11 VAL 29 1HG1 VAL 29 14.781 19.990 -2.285 212 HG12 VAL 29 2HG1 VAL 29 14.490 18.814 -1.002 213 HG13 VAL 29 3HG1 VAL 29 13.202 19.222 -2.137 214 HG21 VAL 29 3HG2 VAL 29 14.400 15.863 -3.150 215 HG22 VAL 29 1HG2 VAL 29 12.969 16.752 -2.634 216 HG23 VAL 29 2HG2 VAL 29 14.275 16.441 -1.490 217 H GLN 30 H GLN 30 16.836 17.794 -4.834 218 HA GLN 30 HA GLN 30 16.059 15.509 -6.531 219 HB2 GLN 30 1HB GLN 30 18.561 17.197 -6.760 220 HB3 GLN 30 2HB GLN 30 18.272 15.727 -7.676 221 HG2 GLN 30 1HG GLN 30 16.283 16.784 -8.684 222 HG3 GLN 30 2HG GLN 30 16.666 18.271 -7.824 223 HE21 GLN 30 2HE2 GLN 30 19.606 17.865 -8.261 224 HE22 GLN 30 1HE2 GLN 30 19.853 18.250 -9.912 225 H VAL 31 H VAL 31 16.766 13.534 -5.963 226 HA VAL 31 HA VAL 31 17.985 13.413 -3.394 227 HB VAL 31 HB VAL 31 16.280 11.679 -4.224 228 HG11 VAL 31 1HG1 VAL 31 16.981 11.371 -6.398 229 HG12 VAL 31 2HG1 VAL 31 17.009 9.836 -5.518 230 HG13 VAL 31 3HG1 VAL 31 18.512 10.710 -5.837 231 HG21 VAL 31 3HG2 VAL 31 18.905 10.582 -3.237 232 HG22 VAL 31 1HG2 VAL 31 17.347 9.759 -3.165 233 HG23 VAL 31 2HG2 VAL 31 17.609 11.232 -2.228 234 H THR 32 H THR 32 19.981 13.158 -2.859 235 HA THR 32 HA THR 32 21.888 13.431 -5.038 236 HB THR 32 HB THR 32 22.315 14.108 -2.131 237 HG1 THR 32 HG1 THR 32 20.608 15.182 -3.963 238 HG21 THR 32 3HG2 THR 32 23.808 15.782 -3.103 239 HG22 THR 32 1HG2 THR 32 23.376 15.237 -4.718 240 HG23 THR 32 2HG2 THR 32 24.281 14.158 -3.637 241 H SER 33 H SER 33 21.334 11.745 -1.918 242 HA SER 33 HA SER 33 22.874 9.530 -2.846 243 HB2 SER 33 1HB SER 33 24.639 11.112 -2.011 244 HB3 SER 33 2HB SER 33 23.869 11.073 -0.425 245 HG SER 33 HG SER 33 25.720 9.584 -0.942 246 H TYR 34 H TYR 34 23.023 7.931 -0.923 247 HA TYR 34 HA TYR 34 20.868 8.128 0.969 248 HB2 TYR 34 1HB TYR 34 19.599 7.226 -0.879 249 HB3 TYR 34 2HB TYR 34 20.871 6.079 -1.265 250 HD1 TYR 34 HD2 TYR 34 18.899 6.940 1.813 251 HD2 TYR 34 HD1 TYR 34 20.257 3.846 -0.795 252 HE1 TYR 34 HE2 TYR 34 17.833 5.247 3.237 253 HE2 TYR 34 HE1 TYR 34 19.223 2.196 0.619 254 HH TYR 34 HH TYR 34 18.495 1.925 2.932 255 H ASP 35 H ASP 35 21.615 7.335 2.792 256 HA ASP 35 HA ASP 35 23.780 5.337 2.705 257 HB2 ASP 35 1HB ASP 35 24.088 7.269 4.276 258 HB3 ASP 35 2HB ASP 35 22.608 6.785 5.105 259 H ASP 36 H ASP 36 23.250 3.331 2.895 260 HA ASP 36 HA ASP 36 20.463 2.717 3.292 261 HB2 ASP 36 1HB ASP 36 20.955 0.499 2.519 262 HB3 ASP 36 2HB ASP 36 21.790 1.643 1.476 263 H ALA 37 H ALA 37 23.372 2.495 5.153 264 HA ALA 37 HA ALA 37 22.452 0.377 6.829 265 HB1 ALA 37 1HB ALA 37 24.386 0.824 8.199 266 HB2 ALA 37 2HB ALA 37 24.637 2.367 7.387 267 HB3 ALA 37 3HB ALA 37 24.854 0.857 6.498 268 H SER 38 H SER 38 22.707 3.906 7.234 269 HA SER 38 HA SER 38 21.213 3.639 9.725 270 HB2 SER 38 1HB SER 38 22.419 6.090 8.433 271 HB3 SER 38 2HB SER 38 21.832 5.948 10.092 272 HG SER 38 HG SER 38 24.216 5.299 9.060 273 H HIS 39 H HIS 39 20.543 3.894 6.545 274 HA HIS 39 HA HIS 39 18.729 4.311 5.287 275 HB2 HIS 39 1HB HIS 39 17.684 2.860 7.037 276 HB3 HIS 39 2HB HIS 39 17.234 4.301 7.926 277 HD1 HIS 39 HD1 HIS 39 14.729 4.297 7.762 278 HD2 HIS 39 HD2 HIS 39 16.547 3.488 4.121 279 HE1 HIS 39 HE1 HIS 39 12.868 4.084 6.084 280 H LEU 40 H LEU 40 19.968 6.402 5.099 281 HA LEU 40 HA LEU 40 18.118 8.628 5.638 282 HB2 LEU 40 1HB LEU 40 21.063 8.579 6.137 283 HB3 LEU 40 2HB LEU 40 20.361 10.057 5.536 284 HG LEU 40 HG LEU 40 20.588 10.273 7.866 285 HD11 LEU 40 1HD1 LEU 40 18.315 10.632 8.642 286 HD12 LEU 40 2HD1 LEU 40 17.704 9.714 7.271 287 HD13 LEU 40 3HD1 LEU 40 18.569 11.223 7.000 288 HD21 LEU 40 3HD2 LEU 40 19.088 7.681 8.190 289 HD22 LEU 40 1HD2 LEU 40 19.592 8.746 9.504 290 HD23 LEU 40 2HD2 LEU 40 20.803 7.940 8.506 291 H TYR 41 H TYR 41 17.482 9.688 3.905 292 HA TYR 41 HA TYR 41 18.977 9.325 1.436 293 HB2 TYR 41 1HB TYR 41 16.135 10.023 2.076 294 HB3 TYR 41 2HB TYR 41 16.832 10.606 0.577 295 HD1 TYR 41 HD1 TYR 41 17.630 8.985 -1.101 296 HD2 TYR 41 HD2 TYR 41 15.420 7.735 2.311 297 HE1 TYR 41 HE1 TYR 41 17.102 6.874 -2.228 298 HE2 TYR 41 HE2 TYR 41 14.897 5.596 1.165 299 HH TYR 41 HH TYR 41 14.746 4.755 -1.128 300 H THR 42 H THR 42 20.301 10.899 0.895 301 HA THR 42 HA THR 42 19.931 13.505 2.140 302 HB THR 42 HB THR 42 22.227 12.466 0.454 303 HG1 THR 42 HG1 THR 42 21.489 11.714 2.807 304 HG21 THR 42 3HG2 THR 42 22.073 14.936 0.589 305 HG22 THR 42 1HG2 THR 42 23.480 14.334 1.468 306 HG23 THR 42 2HG2 THR 42 22.037 14.830 2.349 307 H VAL 43 H VAL 43 19.171 15.148 0.974 308 HA VAL 43 HA VAL 43 18.961 14.845 -1.937 309 HB VAL 43 HB VAL 43 16.786 16.019 -1.849 310 HG11 VAL 43 1HG1 VAL 43 16.855 13.521 -0.166 311 HG12 VAL 43 2HG1 VAL 43 16.708 13.604 -1.923 312 HG13 VAL 43 3HG1 VAL 43 15.410 14.208 -0.901 313 HG21 VAL 43 3HG2 VAL 43 15.591 16.301 0.294 314 HG22 VAL 43 1HG2 VAL 43 17.071 17.260 0.232 315 HG23 VAL 43 2HG2 VAL 43 17.031 15.759 1.155 316 H LYS 44 H LYS 44 18.939 16.853 -3.044 317 HA LYS 44 HA LYS 44 20.175 19.035 -1.536 318 HB2 LYS 44 1HB LYS 44 21.464 18.105 -3.421 319 HB3 LYS 44 2HB LYS 44 20.143 18.498 -4.511 320 HG2 LYS 44 1HG LYS 44 20.449 20.903 -3.891 321 HG3 LYS 44 2HG LYS 44 21.888 20.428 -2.989 322 HD2 LYS 44 1HD LYS 44 21.441 19.965 -5.932 323 HD3 LYS 44 2HD LYS 44 22.407 21.272 -5.253 324 HE2 LYS 44 1HE LYS 44 23.946 19.652 -4.288 325 HE3 LYS 44 2HE LYS 44 22.956 18.321 -4.884 326 HZ1 LYS 44 3HZ LYS 44 24.857 18.738 -6.315 327 HZ2 LYS 44 1HZ LYS 44 24.341 20.324 -6.583 328 HZ3 LYS 44 2HZ LYS 44 23.410 19.020 -7.126 329 H TYR 45 H TYR 45 19.163 20.869 -1.331 330 HA TYR 45 HA TYR 45 16.580 21.318 -2.573 331 HB2 TYR 45 1HB TYR 45 17.989 22.415 -0.203 332 HB3 TYR 45 2HB TYR 45 16.857 23.476 -1.024 333 HD1 TYR 45 HD1 TYR 45 17.196 20.328 0.858 334 HD2 TYR 45 HD2 TYR 45 14.535 23.083 -0.973 335 HE1 TYR 45 HE1 TYR 45 15.297 19.235 1.972 336 HE2 TYR 45 HE2 TYR 45 12.641 22.019 0.111 337 HH TYR 45 HH TYR 45 12.986 19.781 2.640 338 H LYS 46 H LYS 46 16.103 23.474 -3.326 339 HA LYS 46 HA LYS 46 17.764 24.135 -5.455 340 HB2 LYS 46 1HB LYS 46 15.287 24.415 -5.344 341 HB3 LYS 46 2HB LYS 46 15.538 25.808 -4.301 342 HG2 LYS 46 1HG LYS 46 16.758 26.921 -6.003 343 HG3 LYS 46 2HG LYS 46 16.620 25.502 -7.055 344 HD2 LYS 46 1HD LYS 46 14.138 25.770 -6.955 345 HD3 LYS 46 2HD LYS 46 14.386 27.294 -6.096 346 HE2 LYS 46 1HE LYS 46 14.034 27.694 -8.478 347 HE3 LYS 46 2HE LYS 46 15.661 28.156 -7.989 348 HZ1 LYS 46 3HZ LYS 46 15.629 26.910 -10.089 349 HZ2 LYS 46 1HZ LYS 46 14.963 25.581 -9.298 350 HZ3 LYS 46 2HZ LYS 46 16.518 26.107 -8.918 351 H ASP 47 H ASP 47 17.663 25.309 -2.226 352 HA ASP 47 HA ASP 47 19.192 27.709 -2.730 353 HB2 ASP 47 1HB ASP 47 18.576 26.295 -0.126 354 HB3 ASP 47 2HB ASP 47 19.503 27.783 -0.225 355 H GLY 48 H GLY 48 20.065 24.584 -2.953 356 HA2 GLY 48 1HA GLY 48 22.200 23.799 -3.386 357 HA3 GLY 48 2HA GLY 48 22.871 25.258 -2.666 358 H THR 49 H THR 49 20.654 24.312 -0.592 359 HA THR 49 HA THR 49 22.521 23.243 1.297 360 HB THR 49 HB THR 49 19.525 23.464 1.513 361 HG1 THR 49 HG1 THR 49 21.447 25.350 1.219 362 HG21 THR 49 3HG2 THR 49 20.009 23.781 3.906 363 HG22 THR 49 1HG2 THR 49 21.737 23.641 3.577 364 HG23 THR 49 2HG2 THR 49 20.675 22.252 3.333 365 H GLU 50 H GLU 50 22.878 21.035 1.615 366 HA GLU 50 HA GLU 50 20.954 19.208 0.428 367 HB2 GLU 50 1HB GLU 50 23.535 18.598 1.897 368 HB3 GLU 50 2HB GLU 50 22.463 17.391 1.226 369 HG2 GLU 50 1HG GLU 50 24.207 17.533 -0.303 370 HG3 GLU 50 2HG GLU 50 22.934 18.502 -1.030 371 H LEU 51 H LEU 51 19.934 17.658 1.653 372 HA LEU 51 HA LEU 51 19.823 18.158 4.539 373 HB2 LEU 51 1HB LEU 51 17.990 19.377 3.441 374 HB3 LEU 51 2HB LEU 51 17.471 17.892 2.666 375 HG LEU 51 HG LEU 51 17.052 16.961 4.959 376 HD11 LEU 51 1HD1 LEU 51 17.460 19.821 5.775 377 HD12 LEU 51 2HD1 LEU 51 18.470 18.447 6.220 378 HD13 LEU 51 3HD1 LEU 51 16.803 18.540 6.800 379 HD21 LEU 51 3HD2 LEU 51 14.937 18.099 5.214 380 HD22 LEU 51 1HD2 LEU 51 15.274 17.796 3.517 381 HD23 LEU 51 2HD2 LEU 51 15.491 19.420 4.183 382 H ALA 52 H ALA 52 19.428 16.220 5.695 383 HA ALA 52 HA ALA 52 19.155 13.847 4.017 384 HB1 ALA 52 1HB ALA 52 20.287 14.122 6.812 385 HB2 ALA 52 2HB ALA 52 21.221 13.846 5.345 386 HB3 ALA 52 3HB ALA 52 20.109 12.607 5.927 387 H LEU 53 H LEU 53 17.393 12.702 4.322 388 HA LEU 53 HA LEU 53 15.803 13.131 6.670 389 HB2 LEU 53 1HB LEU 53 13.758 13.242 5.078 390 HB3 LEU 53 2HB LEU 53 14.679 14.690 5.408 391 HG LEU 53 HG LEU 53 15.831 14.423 3.219 392 HD11 LEU 53 1HD1 LEU 53 13.913 12.197 2.838 393 HD12 LEU 53 2HD1 LEU 53 15.694 12.090 2.949 394 HD13 LEU 53 3HD1 LEU 53 14.912 12.946 1.595 395 HD21 LEU 53 3HD2 LEU 53 12.853 14.426 3.122 396 HD22 LEU 53 1HD2 LEU 53 13.908 14.948 1.807 397 HD23 LEU 53 2HD2 LEU 53 13.893 15.845 3.344 398 H LYS 54 H LYS 54 13.792 11.563 6.465 399 HA LYS 54 HA LYS 54 15.063 8.985 6.073 400 HB2 LYS 54 1HB LYS 54 12.359 9.665 7.266 401 HB3 LYS 54 2HB LYS 54 13.079 8.061 7.224 402 HG2 LYS 54 1HG LYS 54 14.173 10.456 8.700 403 HG3 LYS 54 2HG LYS 54 13.332 9.090 9.428 404 HD2 LYS 54 1HD LYS 54 15.103 7.589 8.766 405 HD3 LYS 54 2HD LYS 54 15.910 8.872 7.868 406 HE2 LYS 54 1HE LYS 54 17.061 8.587 9.943 407 HE3 LYS 54 2HE LYS 54 16.183 10.106 10.004 408 HZ1 LYS 54 3HZ LYS 54 14.473 9.020 11.345 409 HZ2 LYS 54 1HZ LYS 54 15.985 8.877 12.055 410 HZ3 LYS 54 2HZ LYS 54 15.328 7.561 11.280 411 H GLU 55 H GLU 55 13.766 7.262 5.017 412 HA GLU 55 HA GLU 55 13.081 7.893 2.369 413 HB2 GLU 55 1HB GLU 55 13.711 5.663 2.869 414 HB3 GLU 55 2HB GLU 55 12.556 5.539 4.165 415 HG2 GLU 55 1HG GLU 55 11.726 5.667 1.269 416 HG3 GLU 55 2HG GLU 55 12.124 4.155 2.080 417 H SER 56 H SER 56 11.181 7.780 5.256 418 HA SER 56 HA SER 56 8.663 7.814 3.945 419 HB2 SER 56 1HB SER 56 9.378 8.360 6.821 420 HB3 SER 56 2HB SER 56 7.781 7.924 6.199 421 HG SER 56 HG SER 56 9.468 6.084 5.293 422 H ASP 57 H ASP 57 11.000 10.163 4.431 423 HA ASP 57 HA ASP 57 9.106 12.333 4.626 424 HB2 ASP 57 1HB ASP 57 12.114 12.298 4.358 425 HB3 ASP 57 2HB ASP 57 11.167 13.777 4.322 426 H ILE 58 H ILE 58 10.572 10.370 2.208 427 HA ILE 58 HA ILE 58 10.214 12.532 0.269 428 HB ILE 58 HB ILE 58 11.610 9.871 -0.107 429 HG12 ILE 58 1HG1 ILE 58 12.686 12.679 0.113 430 HG13 ILE 58 2HG1 ILE 58 12.854 11.393 1.304 431 HG21 ILE 58 1HG2 ILE 58 12.326 10.788 -2.268 432 HG22 ILE 58 2HG2 ILE 58 11.366 12.234 -1.953 433 HG23 ILE 58 3HG2 ILE 58 10.562 10.674 -2.174 434 HD11 ILE 58 3HD1 ILE 58 13.994 11.338 -1.477 435 HD12 ILE 58 1HD1 ILE 58 14.216 10.106 -0.229 436 HD13 ILE 58 2HD1 ILE 58 14.881 11.732 -0.008 437 H ARG 59 H ARG 59 8.716 12.528 -1.041 438 HA ARG 59 HA ARG 59 7.345 10.080 -1.853 439 HB2 ARG 59 1HB ARG 59 6.014 12.534 -0.734 440 HB3 ARG 59 2HB ARG 59 5.159 11.538 -1.900 441 HG2 ARG 59 1HG ARG 59 5.336 9.617 -0.425 442 HG3 ARG 59 2HG ARG 59 6.293 10.557 0.716 443 HD2 ARG 59 1HD ARG 59 4.410 11.987 1.196 444 HD3 ARG 59 2HD ARG 59 3.458 11.222 -0.078 445 HE ARG 59 HE ARG 59 2.975 9.503 1.319 446 HH11 ARG 59 1HH1 ARG 59 5.583 11.375 2.829 447 HH12 ARG 59 2HH1 ARG 59 5.616 10.446 4.244 448 HH21 ARG 59 1HH2 ARG 59 3.004 8.269 3.301 449 HH22 ARG 59 2HH2 ARG 59 4.145 8.609 4.503 450 H LEU 60 H LEU 60 6.377 10.275 -4.045 451 HA LEU 60 HA LEU 60 7.626 12.403 -5.542 452 HB2 LEU 60 1HB LEU 60 5.594 10.344 -6.428 453 HB3 LEU 60 2HB LEU 60 6.491 11.413 -7.482 454 HG LEU 60 HG LEU 60 7.591 9.136 -5.860 455 HD11 LEU 60 1HD1 LEU 60 8.138 8.235 -8.080 456 HD12 LEU 60 2HD1 LEU 60 7.230 9.560 -8.810 457 HD13 LEU 60 3HD1 LEU 60 6.407 8.382 -7.784 458 HD21 LEU 60 3HD2 LEU 60 9.739 9.641 -6.974 459 HD22 LEU 60 1HD2 LEU 60 9.217 10.940 -5.898 460 HD23 LEU 60 2HD2 LEU 60 9.021 11.109 -7.640 461 H GLN 61 H GLN 61 5.956 13.558 -7.087 462 HA GLN 61 HA GLN 61 4.439 15.169 -5.373 463 HB2 GLN 61 1HB GLN 61 3.561 16.275 -7.361 464 HB3 GLN 61 2HB GLN 61 5.295 16.037 -7.468 465 HG2 GLN 61 1HG GLN 61 4.968 14.161 -8.969 466 HG3 GLN 61 2HG GLN 61 3.219 14.325 -8.811 467 HE21 GLN 61 2HE2 GLN 61 2.215 16.081 -9.719 468 HE22 GLN 61 1HE2 GLN 61 2.931 17.018 -10.969 469 H SER 62 H SER 62 3.491 12.326 -7.199 470 HA SER 62 HA SER 62 0.770 12.719 -6.190 471 HB2 SER 62 1HB SER 62 1.639 11.094 -8.586 472 HB3 SER 62 2HB SER 62 -0.009 11.491 -8.104 473 HG SER 62 HG SER 62 1.008 13.781 -8.227 474 H SER 63 H SER 63 3.215 11.334 -4.903 475 HA SER 63 HA SER 63 2.442 8.562 -4.841 476 HB2 SER 63 1HB SER 63 4.320 10.113 -3.073 477 HB3 SER 63 2HB SER 63 4.079 8.372 -2.970 478 HG SER 63 HG SER 63 4.599 8.500 -5.330 479 H PHE 64 H PHE 64 1.178 7.524 -3.481 480 HA PHE 64 HA PHE 64 0.363 8.664 -0.972 481 HB2 PHE 64 1HB PHE 64 -2.063 8.401 -1.472 482 HB3 PHE 64 2HB PHE 64 -1.318 9.645 -2.463 483 HD1 PHE 64 HD2 PHE 64 -2.730 6.239 -2.472 484 HD2 PHE 64 HD1 PHE 64 -1.215 9.420 -4.847 485 HE1 PHE 64 HE2 PHE 64 -3.598 5.139 -4.486 486 HE2 PHE 64 HE1 PHE 64 -2.087 8.327 -6.865 487 HZ PHE 64 HZ PHE 64 -3.277 6.181 -6.688 488 H LYS 65 H LYS 65 -0.957 7.008 0.220 489 HA LYS 65 HA LYS 65 -0.533 4.315 -0.807 490 HB2 LYS 65 1HB LYS 65 0.972 4.777 1.132 491 HB3 LYS 65 2HB LYS 65 -0.432 5.194 2.102 492 HG2 LYS 65 1HG LYS 65 -1.269 2.905 1.873 493 HG3 LYS 65 2HG LYS 65 0.152 2.482 0.919 494 HD2 LYS 65 1HD LYS 65 1.593 3.025 2.824 495 HD3 LYS 65 2HD LYS 65 0.171 3.458 3.775 496 HE2 LYS 65 1HE LYS 65 -0.660 1.158 3.565 497 HE3 LYS 65 2HE LYS 65 0.758 0.739 2.610 498 HZ1 LYS 65 3HZ LYS 65 0.796 1.652 5.437 499 HZ2 LYS 65 1HZ LYS 65 2.140 1.259 4.502 500 HZ3 LYS 65 2HZ LYS 65 1.028 0.066 4.909 501 H GLN 66 H GLN 66 -2.466 4.403 -1.735 502 HA GLN 66 HA GLN 66 -4.637 4.186 -2.102 503 HB2 GLN 66 1HB GLN 66 -4.152 2.415 -0.169 504 HB3 GLN 66 2HB GLN 66 -5.221 3.470 0.742 505 HG2 GLN 66 1HG GLN 66 -6.557 1.745 -0.196 506 HG3 GLN 66 2HG GLN 66 -6.896 3.222 -1.102 507 HE21 GLN 66 2HE2 GLN 66 -7.582 2.088 -2.933 508 HE22 GLN 66 1HE2 GLN 66 -6.491 1.224 -3.951 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -0.856 4.526 -5.832 2 HA2 GLY 1 2HA GLY 1 -0.010 2.623 -4.630 3 HA3 GLY 1 1HA GLY 1 0.662 2.696 -6.260 4 H ALA 2 H ALA 2 1.662 1.571 -3.680 5 HA ALA 2 HA ALA 2 4.316 2.827 -3.785 6 HB1 ALA 2 1HB ALA 2 2.853 2.034 -1.264 7 HB2 ALA 2 2HB ALA 2 3.158 3.688 -1.795 8 HB3 ALA 2 3HB ALA 2 4.507 2.642 -1.345 9 H MET 3 H MET 3 2.952 0.404 -4.827 10 HA MET 3 HA MET 3 3.966 -1.852 -3.424 11 HB2 MET 3 1HB MET 3 3.301 -3.168 -5.395 12 HB3 MET 3 2HB MET 3 2.012 -2.131 -4.816 13 HG2 MET 3 1HG MET 3 2.524 -0.539 -6.627 14 HG3 MET 3 2HG MET 3 3.775 -1.638 -7.210 15 HE1 MET 3 3HE MET 3 3.294 -4.024 -8.262 16 HE2 MET 3 1HE MET 3 1.691 -4.747 -8.359 17 HE3 MET 3 2HE MET 3 2.451 -4.510 -6.791 18 H GLY 4 H GLY 4 5.260 -3.531 -4.932 19 HA2 GLY 4 1HA GLY 4 7.329 -4.045 -5.786 20 HA3 GLY 4 2HA GLY 4 7.500 -2.353 -6.276 21 H MET 5 H MET 5 8.810 -1.161 -5.211 22 HA MET 5 HA MET 5 10.081 -0.234 -3.609 23 HB2 MET 5 1HB MET 5 7.991 -0.207 -2.287 24 HB3 MET 5 2HB MET 5 8.381 -1.793 -1.659 25 HG2 MET 5 1HG MET 5 10.424 -0.848 -0.645 26 HG3 MET 5 2HG MET 5 9.917 0.749 -1.189 27 HE1 MET 5 3HE MET 5 6.692 0.507 -0.728 28 HE2 MET 5 1HE MET 5 7.625 1.945 -0.315 29 HE3 MET 5 2HE MET 5 6.563 1.206 0.881 30 HA PRO 6 HA PRO 6 12.984 -3.616 -2.841 31 HB2 PRO 6 1HB PRO 6 15.052 -2.119 -4.051 32 HB3 PRO 6 2HB PRO 6 14.160 -3.439 -4.804 33 HG2 PRO 6 1HG PRO 6 14.098 -0.724 -5.542 34 HG3 PRO 6 2HG PRO 6 13.006 -1.996 -6.118 35 HD2 PRO 6 1HD PRO 6 12.594 0.075 -4.025 36 HD3 PRO 6 2HD PRO 6 11.416 -0.698 -5.110 37 H ASN 7 H ASN 7 15.625 -2.727 -2.253 38 HA ASN 7 HA ASN 7 15.087 -1.176 0.148 39 HB2 ASN 7 1HB ASN 7 17.476 -2.810 -0.693 40 HB3 ASN 7 2HB ASN 7 17.584 -1.672 0.648 41 HD21 ASN 7 2HD2 ASN 7 16.310 -4.704 -0.428 42 HD22 ASN 7 1HD2 ASN 7 15.651 -5.174 1.106 43 H ARG 8 H ARG 8 15.126 -0.096 -2.554 44 HA ARG 8 HA ARG 8 16.249 2.380 -1.829 45 HB2 ARG 8 1HB ARG 8 18.201 1.409 -2.984 46 HB3 ARG 8 2HB ARG 8 17.171 0.949 -4.344 47 HG2 ARG 8 1HG ARG 8 16.720 3.261 -4.780 48 HG3 ARG 8 2HG ARG 8 17.760 3.742 -3.441 49 HD2 ARG 8 1HD ARG 8 18.707 2.167 -5.855 50 HD3 ARG 8 2HD ARG 8 18.845 3.913 -5.716 51 HE ARG 8 HE ARG 8 20.140 2.108 -3.783 52 HH11 ARG 8 1HH1 ARG 8 20.415 4.644 -6.252 53 HH12 ARG 8 2HH1 ARG 8 21.969 5.132 -5.861 54 HH21 ARG 8 1HH2 ARG 8 22.378 2.697 -3.252 55 HH22 ARG 8 2HH2 ARG 8 23.154 3.939 -4.124 56 H LYS 9 H LYS 9 14.071 2.787 -1.724 57 HA LYS 9 HA LYS 9 12.277 2.314 -3.874 58 HB2 LYS 9 1HB LYS 9 11.372 2.500 -1.647 59 HB3 LYS 9 2HB LYS 9 12.070 4.094 -1.439 60 HG2 LYS 9 1HG LYS 9 10.526 5.044 -3.017 61 HG3 LYS 9 2HG LYS 9 9.913 3.448 -3.440 62 HD2 LYS 9 1HD LYS 9 8.932 3.171 -1.291 63 HD3 LYS 9 2HD LYS 9 9.747 4.602 -0.663 64 HE2 LYS 9 1HE LYS 9 7.335 4.981 -1.168 65 HE3 LYS 9 2HE LYS 9 8.416 6.048 -2.058 66 HZ1 LYS 9 3HZ LYS 9 6.627 5.171 -3.429 67 HZ2 LYS 9 1HZ LYS 9 7.143 3.597 -3.170 68 HZ3 LYS 9 2HZ LYS 9 8.104 4.693 -4.020 69 H TYR 10 H TYR 10 14.439 4.882 -3.108 70 HA TYR 10 HA TYR 10 13.492 6.266 -5.511 71 HB2 TYR 10 1HB TYR 10 14.719 7.546 -3.049 72 HB3 TYR 10 2HB TYR 10 14.221 8.390 -4.510 73 HD1 TYR 10 HD1 TYR 10 11.811 8.457 -5.112 74 HD2 TYR 10 HD2 TYR 10 13.159 6.990 -1.363 75 HE1 TYR 10 HE1 TYR 10 9.548 8.694 -4.213 76 HE2 TYR 10 HE2 TYR 10 10.909 7.214 -0.448 77 HH TYR 10 HH TYR 10 8.796 8.535 -0.932 78 H ALA 11 H ALA 11 14.891 6.003 -7.065 79 HA ALA 11 HA ALA 11 17.594 5.231 -6.621 80 HB1 ALA 11 1HB ALA 11 17.772 5.547 -9.087 81 HB2 ALA 11 2HB ALA 11 16.158 6.249 -9.079 82 HB3 ALA 11 3HB ALA 11 16.386 4.560 -8.631 83 H ASP 12 H ASP 12 19.477 6.604 -7.085 84 HA ASP 12 HA ASP 12 18.919 9.227 -6.114 85 HB2 ASP 12 1HB ASP 12 21.342 9.623 -5.920 86 HB3 ASP 12 2HB ASP 12 20.881 8.115 -5.159 87 H GLY 13 H GLY 13 19.447 11.204 -7.040 88 HA2 GLY 13 1HA GLY 13 20.036 12.570 -8.834 89 HA3 GLY 13 2HA GLY 13 19.907 11.181 -9.914 90 H GLU 14 H GLU 14 17.346 10.776 -8.017 91 HA GLU 14 HA GLU 14 15.578 11.721 -10.062 92 HB2 GLU 14 1HB GLU 14 15.361 9.488 -9.043 93 HB3 GLU 14 2HB GLU 14 15.015 10.251 -7.498 94 HG2 GLU 14 1HG GLU 14 12.983 9.469 -8.685 95 HG3 GLU 14 2HG GLU 14 12.979 11.212 -8.400 96 H VAL 15 H VAL 15 13.979 13.282 -9.801 97 HA VAL 15 HA VAL 15 14.365 14.923 -7.430 98 HB VAL 15 HB VAL 15 14.503 16.205 -9.502 99 HG11 VAL 15 1HG1 VAL 15 12.633 16.418 -11.059 100 HG12 VAL 15 2HG1 VAL 15 11.771 15.161 -10.163 101 HG13 VAL 15 3HG1 VAL 15 13.287 14.781 -10.982 102 HG21 VAL 15 3HG2 VAL 15 12.751 17.896 -9.146 103 HG22 VAL 15 1HG2 VAL 15 13.483 17.362 -7.632 104 HG23 VAL 15 2HG2 VAL 15 11.894 16.763 -8.100 105 H VAL 16 H VAL 16 12.924 14.977 -5.894 106 HA VAL 16 HA VAL 16 10.344 13.661 -6.234 107 HB VAL 16 HB VAL 16 10.693 12.485 -4.021 108 HG11 VAL 16 1HG1 VAL 16 10.863 11.250 -6.120 109 HG12 VAL 16 2HG1 VAL 16 12.023 10.642 -4.939 110 HG13 VAL 16 3HG1 VAL 16 12.567 11.689 -6.249 111 HG21 VAL 16 3HG2 VAL 16 12.554 13.818 -3.183 112 HG22 VAL 16 1HG2 VAL 16 13.580 13.242 -4.496 113 HG23 VAL 16 2HG2 VAL 16 13.010 12.115 -3.267 114 H MET 17 H MET 17 9.232 13.874 -3.853 115 HA MET 17 HA MET 17 9.765 16.616 -3.025 116 HB2 MET 17 1HB MET 17 7.153 15.085 -2.905 117 HB3 MET 17 2HB MET 17 7.412 16.686 -2.220 118 HG2 MET 17 1HG MET 17 7.925 17.543 -4.477 119 HG3 MET 17 2HG MET 17 7.592 15.950 -5.136 120 HE1 MET 17 3HE MET 17 4.459 18.760 -3.237 121 HE2 MET 17 1HE MET 17 6.172 19.130 -3.429 122 HE3 MET 17 2HE MET 17 5.653 17.909 -2.263 123 H GLY 18 H GLY 18 10.266 16.909 -0.967 124 HA2 GLY 18 1HA GLY 18 10.255 14.515 0.800 125 HA3 GLY 18 2HA GLY 18 11.591 15.574 0.647 126 H ARG 19 H ARG 19 9.691 14.977 2.860 127 HA ARG 19 HA ARG 19 8.352 17.442 3.450 128 HB2 ARG 19 1HB ARG 19 7.503 15.372 4.360 129 HB3 ARG 19 2HB ARG 19 9.051 15.016 5.106 130 HG2 ARG 19 1HG ARG 19 8.720 17.134 6.460 131 HG3 ARG 19 2HG ARG 19 7.058 17.116 5.873 132 HD2 ARG 19 1HD ARG 19 6.631 15.026 6.887 133 HD3 ARG 19 2HD ARG 19 8.341 14.772 7.230 134 HE ARG 19 HE ARG 19 7.004 17.056 8.452 135 HH11 ARG 19 1HH1 ARG 19 8.668 13.923 8.830 136 HH12 ARG 19 2HH1 ARG 19 8.573 13.967 10.533 137 HH21 ARG 19 1HH2 ARG 19 6.965 17.103 10.804 138 HH22 ARG 19 2HH2 ARG 19 7.635 15.809 11.665 139 H TRP 20 H TRP 20 9.118 19.095 4.715 140 HA TRP 20 HA TRP 20 11.930 19.117 5.279 141 HB2 TRP 20 1HB TRP 20 10.632 21.197 4.583 142 HB3 TRP 20 2HB TRP 20 9.867 21.163 6.173 143 HD1 TRP 20 HD1 TRP 20 11.542 21.574 8.321 144 HE1 TRP 20 HE1 TRP 20 13.743 22.877 8.490 145 HE3 TRP 20 HE3 TRP 20 12.632 21.958 3.355 146 HZ2 TRP 20 HZ2 TRP 20 15.690 23.943 6.742 147 HZ3 TRP 20 HZ3 TRP 20 14.678 23.137 2.682 148 HH2 TRP 20 HH2 TRP 20 16.165 24.108 4.301 149 HA PRO 21 HA PRO 21 11.211 17.081 9.187 150 HB2 PRO 21 1HB PRO 21 13.752 17.355 10.165 151 HB3 PRO 21 2HB PRO 21 13.286 16.108 9.002 152 HG2 PRO 21 1HG PRO 21 14.624 18.740 8.520 153 HG3 PRO 21 2HG PRO 21 14.958 17.163 7.784 154 HD2 PRO 21 1HD PRO 21 13.556 19.080 6.528 155 HD3 PRO 21 2HD PRO 21 13.202 17.353 6.300 156 H GLY 22 H GLY 22 9.868 18.553 10.079 157 HA2 GLY 22 1HA GLY 22 10.347 19.687 12.434 158 HA3 GLY 22 2HA GLY 22 10.864 20.964 11.329 159 H SER 23 H SER 23 9.073 20.601 9.271 160 HA SER 23 HA SER 23 6.562 21.315 10.566 161 HB2 SER 23 1HB SER 23 6.181 22.600 8.412 162 HB3 SER 23 2HB SER 23 7.536 23.192 9.375 163 HG SER 23 HG SER 23 8.553 22.984 7.554 164 H VAL 24 H VAL 24 4.808 20.999 8.518 165 HA VAL 24 HA VAL 24 5.126 18.177 7.772 166 HB VAL 24 HB VAL 24 3.095 18.936 9.108 167 HG11 VAL 24 1HG1 VAL 24 1.235 20.008 7.943 168 HG12 VAL 24 2HG1 VAL 24 2.262 20.227 6.531 169 HG13 VAL 24 3HG1 VAL 24 2.654 21.053 8.034 170 HG21 VAL 24 3HG2 VAL 24 3.053 16.803 7.950 171 HG22 VAL 24 1HG2 VAL 24 2.560 17.597 6.454 172 HG23 VAL 24 2HG2 VAL 24 1.469 17.569 7.837 173 H LEU 25 H LEU 25 6.010 20.902 6.549 174 HA LEU 25 HA LEU 25 4.616 21.075 4.072 175 HB2 LEU 25 1HB LEU 25 7.119 22.361 4.999 176 HB3 LEU 25 2HB LEU 25 6.335 22.670 3.465 177 HG LEU 25 HG LEU 25 5.440 23.424 6.221 178 HD11 LEU 25 1HD1 LEU 25 5.634 24.654 3.591 179 HD12 LEU 25 2HD1 LEU 25 6.813 24.887 4.907 180 HD13 LEU 25 3HD1 LEU 25 5.151 25.557 5.037 181 HD21 LEU 25 3HD2 LEU 25 3.262 24.084 5.277 182 HD22 LEU 25 1HD2 LEU 25 3.476 22.332 5.224 183 HD23 LEU 25 2HD2 LEU 25 3.685 23.296 3.759 184 H TYR 26 H TYR 26 5.254 20.553 2.103 185 HA TYR 26 HA TYR 26 7.527 18.720 1.918 186 HB2 TYR 26 1HB TYR 26 4.837 18.629 0.629 187 HB3 TYR 26 2HB TYR 26 6.223 17.991 -0.249 188 HD1 TYR 26 HD1 TYR 26 4.545 17.721 3.089 189 HD2 TYR 26 HD2 TYR 26 6.835 15.806 0.060 190 HE1 TYR 26 HE1 TYR 26 4.359 15.588 4.300 191 HE2 TYR 26 HE2 TYR 26 6.654 13.678 1.252 192 HH TYR 26 HH TYR 26 4.482 13.234 3.843 193 H TYR 27 H TYR 27 9.030 19.078 0.520 194 HA TYR 27 HA TYR 27 8.734 21.375 -1.276 195 HB2 TYR 27 1HB TYR 27 11.032 20.532 0.458 196 HB3 TYR 27 2HB TYR 27 11.233 21.639 -0.898 197 HD1 TYR 27 HD2 TYR 27 9.529 21.198 2.377 198 HD2 TYR 27 HD1 TYR 27 10.707 23.893 -0.681 199 HE1 TYR 27 HE2 TYR 27 8.898 23.096 3.810 200 HE2 TYR 27 HE1 TYR 27 10.087 25.781 0.723 201 HH TYR 27 HH TYR 27 8.813 26.317 2.535 202 H GLU 28 H GLU 28 9.978 21.228 -3.161 203 HA GLU 28 HA GLU 28 10.274 18.517 -4.082 204 HB2 GLU 28 1HB GLU 28 9.209 20.143 -5.552 205 HB3 GLU 28 2HB GLU 28 10.628 21.171 -5.494 206 HG2 GLU 28 1HG GLU 28 11.919 19.482 -6.651 207 HG3 GLU 28 2HG GLU 28 10.520 18.408 -6.666 208 H VAL 29 H VAL 29 12.160 17.509 -4.170 209 HA VAL 29 HA VAL 29 14.647 19.016 -3.806 210 HB VAL 29 HB VAL 29 15.423 17.350 -2.163 211 HG11 VAL 29 1HG1 VAL 29 12.833 18.633 -1.354 212 HG12 VAL 29 2HG1 VAL 29 14.432 19.378 -1.305 213 HG13 VAL 29 3HG1 VAL 29 14.059 18.012 -0.253 214 HG21 VAL 29 3HG2 VAL 29 13.847 15.781 -1.107 215 HG22 VAL 29 1HG2 VAL 29 14.066 15.443 -2.825 216 HG23 VAL 29 2HG2 VAL 29 12.609 16.264 -2.268 217 H GLN 30 H GLN 30 16.509 17.641 -4.389 218 HA GLN 30 HA GLN 30 15.641 15.419 -6.090 219 HB2 GLN 30 1HB GLN 30 16.580 17.374 -7.353 220 HB3 GLN 30 2HB GLN 30 18.091 17.151 -6.485 221 HG2 GLN 30 1HG GLN 30 18.359 14.948 -7.491 222 HG3 GLN 30 2HG GLN 30 16.814 15.128 -8.308 223 HE21 GLN 30 2HE2 GLN 30 17.745 14.915 -10.319 224 HE22 GLN 30 1HE2 GLN 30 18.665 16.194 -11.036 225 H VAL 31 H VAL 31 16.475 13.519 -5.619 226 HA VAL 31 HA VAL 31 18.024 13.292 -3.229 227 HB VAL 31 HB VAL 31 16.267 11.578 -3.830 228 HG11 VAL 31 1HG1 VAL 31 16.736 9.891 -5.457 229 HG12 VAL 31 2HG1 VAL 31 18.015 10.954 -6.082 230 HG13 VAL 31 3HG1 VAL 31 16.348 11.494 -6.069 231 HG21 VAL 31 3HG2 VAL 31 17.562 9.561 -3.309 232 HG22 VAL 31 1HG2 VAL 31 18.002 10.907 -2.252 233 HG23 VAL 31 2HG2 VAL 31 19.053 10.458 -3.593 234 H THR 32 H THR 32 20.158 13.022 -3.044 235 HA THR 32 HA THR 32 21.561 12.867 -5.593 236 HB THR 32 HB THR 32 21.641 15.156 -4.667 237 HG1 THR 32 HG1 THR 32 23.411 14.112 -5.846 238 HG21 THR 32 3HG2 THR 32 21.598 14.668 -2.269 239 HG22 THR 32 1HG2 THR 32 23.008 15.650 -2.668 240 HG23 THR 32 2HG2 THR 32 23.191 13.921 -2.379 241 H SER 33 H SER 33 21.425 11.766 -2.269 242 HA SER 33 HA SER 33 23.356 9.718 -2.992 243 HB2 SER 33 1HB SER 33 23.630 11.298 -0.402 244 HB3 SER 33 2HB SER 33 24.674 10.020 -0.982 245 HG SER 33 HG SER 33 25.189 11.336 -2.764 246 H TYR 34 H TYR 34 23.189 7.845 -1.545 247 HA TYR 34 HA TYR 34 20.889 7.857 0.237 248 HB2 TYR 34 1HB TYR 34 19.882 6.949 -1.746 249 HB3 TYR 34 2HB TYR 34 21.272 5.914 -2.054 250 HD1 TYR 34 HD2 TYR 34 18.822 6.515 0.714 251 HD2 TYR 34 HD1 TYR 34 21.000 3.655 -1.554 252 HE1 TYR 34 HE2 TYR 34 17.790 4.711 2.015 253 HE2 TYR 34 HE1 TYR 34 19.973 1.839 -0.251 254 HH TYR 34 HH TYR 34 17.284 2.300 1.697 255 H ASP 35 H ASP 35 21.453 7.068 2.124 256 HA ASP 35 HA ASP 35 23.754 5.274 2.251 257 HB2 ASP 35 1HB ASP 35 23.965 7.179 3.739 258 HB3 ASP 35 2HB ASP 35 22.362 6.874 4.404 259 H ASP 36 H ASP 36 23.388 3.209 2.487 260 HA ASP 36 HA ASP 36 20.692 2.260 2.877 261 HB2 ASP 36 1HB ASP 36 21.594 0.045 2.390 262 HB3 ASP 36 2HB ASP 36 22.154 1.204 1.194 263 H ALA 37 H ALA 37 23.445 2.796 4.803 264 HA ALA 37 HA ALA 37 23.018 0.751 6.717 265 HB1 ALA 37 1HB ALA 37 25.199 1.810 6.439 266 HB2 ALA 37 2HB ALA 37 24.619 1.983 8.098 267 HB3 ALA 37 3HB ALA 37 24.524 3.346 6.983 268 H SER 38 H SER 38 22.298 4.253 6.753 269 HA SER 38 HA SER 38 20.666 3.855 9.155 270 HB2 SER 38 1HB SER 38 21.108 6.398 7.629 271 HB3 SER 38 2HB SER 38 20.746 6.194 9.342 272 HG SER 38 HG SER 38 23.109 5.618 7.933 273 H HIS 39 H HIS 39 20.290 3.602 5.903 274 HA HIS 39 HA HIS 39 18.654 3.692 4.355 275 HB2 HIS 39 1HB HIS 39 17.555 2.370 6.418 276 HB3 HIS 39 2HB HIS 39 16.517 3.788 6.470 277 HD1 HIS 39 HD1 HIS 39 16.245 0.574 5.323 278 HD2 HIS 39 HD2 HIS 39 15.772 4.229 3.420 279 HE1 HIS 39 HE1 HIS 39 14.826 0.122 3.281 280 H LEU 40 H LEU 40 19.768 5.964 4.704 281 HA LEU 40 HA LEU 40 17.666 8.019 4.997 282 HB2 LEU 40 1HB LEU 40 20.378 7.864 6.063 283 HB3 LEU 40 2HB LEU 40 20.083 9.343 5.180 284 HG LEU 40 HG LEU 40 18.216 9.878 6.678 285 HD11 LEU 40 1HD1 LEU 40 18.985 7.373 8.157 286 HD12 LEU 40 2HD1 LEU 40 17.493 7.631 7.254 287 HD13 LEU 40 3HD1 LEU 40 17.823 8.583 8.702 288 HD21 LEU 40 3HD2 LEU 40 20.772 9.199 8.114 289 HD22 LEU 40 1HD2 LEU 40 19.537 10.323 8.677 290 HD23 LEU 40 2HD2 LEU 40 20.446 10.678 7.210 291 H TYR 41 H TYR 41 17.517 9.577 3.417 292 HA TYR 41 HA TYR 41 19.176 9.084 1.061 293 HB2 TYR 41 1HB TYR 41 16.364 10.144 1.341 294 HB3 TYR 41 2HB TYR 41 17.280 10.217 -0.153 295 HD1 TYR 41 HD2 TYR 41 15.898 7.786 2.340 296 HD2 TYR 41 HD1 TYR 41 17.178 8.450 -1.657 297 HE1 TYR 41 HE2 TYR 41 15.028 5.573 1.691 298 HE2 TYR 41 HE1 TYR 41 16.311 6.250 -2.309 299 HH TYR 41 HH TYR 41 14.376 4.326 -0.172 300 H THR 42 H THR 42 20.467 10.739 0.533 301 HA THR 42 HA THR 42 20.120 13.247 1.964 302 HB THR 42 HB THR 42 22.231 12.554 -0.060 303 HG1 THR 42 HG1 THR 42 22.683 12.212 2.710 304 HG21 THR 42 3HG2 THR 42 22.096 14.895 0.662 305 HG22 THR 42 1HG2 THR 42 23.585 14.152 1.247 306 HG23 THR 42 2HG2 THR 42 22.230 14.391 2.348 307 H VAL 43 H VAL 43 19.250 14.902 0.955 308 HA VAL 43 HA VAL 43 18.799 14.744 -1.926 309 HB VAL 43 HB VAL 43 16.626 15.852 -1.601 310 HG11 VAL 43 1HG1 VAL 43 15.379 13.969 -0.620 311 HG12 VAL 43 2HG1 VAL 43 16.902 13.288 -0.044 312 HG13 VAL 43 3HG1 VAL 43 16.604 13.450 -1.774 313 HG21 VAL 43 3HG2 VAL 43 17.126 15.483 1.360 314 HG22 VAL 43 1HG2 VAL 43 15.610 16.029 0.642 315 HG23 VAL 43 2HG2 VAL 43 17.062 17.022 0.504 316 H LYS 44 H LYS 44 18.502 16.820 -2.880 317 HA LYS 44 HA LYS 44 19.997 18.921 -1.473 318 HB2 LYS 44 1HB LYS 44 21.252 17.838 -3.277 319 HB3 LYS 44 2HB LYS 44 19.966 18.218 -4.407 320 HG2 LYS 44 1HG LYS 44 20.399 20.641 -3.988 321 HG3 LYS 44 2HG LYS 44 21.789 20.172 -3.004 322 HD2 LYS 44 1HD LYS 44 21.395 19.430 -5.905 323 HD3 LYS 44 2HD LYS 44 22.397 20.760 -5.334 324 HE2 LYS 44 1HE LYS 44 22.834 17.882 -4.515 325 HE3 LYS 44 2HE LYS 44 23.618 18.623 -5.894 326 HZ1 LYS 44 3HZ LYS 44 23.911 19.553 -3.061 327 HZ2 LYS 44 1HZ LYS 44 24.630 20.231 -4.430 328 HZ3 LYS 44 2HZ LYS 44 25.014 18.674 -3.961 329 H TYR 45 H TYR 45 19.053 20.795 -1.382 330 HA TYR 45 HA TYR 45 16.465 21.229 -2.635 331 HB2 TYR 45 1HB TYR 45 17.982 22.633 -0.453 332 HB3 TYR 45 2HB TYR 45 16.582 23.382 -1.189 333 HD1 TYR 45 HD2 TYR 45 17.745 20.608 0.920 334 HD2 TYR 45 HD1 TYR 45 14.376 22.557 -0.786 335 HE1 TYR 45 HE2 TYR 45 16.258 19.351 2.417 336 HE2 TYR 45 HE1 TYR 45 12.888 21.323 0.684 337 HH TYR 45 HH TYR 45 12.892 19.209 1.998 338 H LYS 46 H LYS 46 16.053 23.335 -3.564 339 HA LYS 46 HA LYS 46 17.818 23.897 -5.651 340 HB2 LYS 46 1HB LYS 46 15.412 24.235 -5.821 341 HB3 LYS 46 2HB LYS 46 15.471 25.480 -4.589 342 HG2 LYS 46 1HG LYS 46 15.264 26.448 -6.797 343 HG3 LYS 46 2HG LYS 46 16.805 26.868 -6.029 344 HD2 LYS 46 1HD LYS 46 17.931 25.124 -7.323 345 HD3 LYS 46 2HD LYS 46 16.403 24.700 -8.097 346 HE2 LYS 46 1HE LYS 46 16.290 26.889 -9.117 347 HE3 LYS 46 2HE LYS 46 17.750 27.387 -8.263 348 HZ1 LYS 46 3HZ LYS 46 19.007 25.750 -9.493 349 HZ2 LYS 46 1HZ LYS 46 18.194 26.752 -10.555 350 HZ3 LYS 46 2HZ LYS 46 17.630 25.198 -10.275 351 H ASP 47 H ASP 47 17.681 25.053 -2.457 352 HA ASP 47 HA ASP 47 19.113 27.519 -2.862 353 HB2 ASP 47 1HB ASP 47 18.532 25.948 -0.341 354 HB3 ASP 47 2HB ASP 47 19.274 27.540 -0.374 355 H GLY 48 H GLY 48 20.085 24.392 -3.137 356 HA2 GLY 48 1HA GLY 48 22.250 23.635 -3.523 357 HA3 GLY 48 2HA GLY 48 22.880 25.099 -2.778 358 H THR 49 H THR 49 20.617 24.072 -0.776 359 HA THR 49 HA THR 49 22.404 23.068 1.204 360 HB THR 49 HB THR 49 19.390 23.176 1.207 361 HG1 THR 49 HG1 THR 49 19.588 25.306 1.841 362 HG21 THR 49 3HG2 THR 49 19.690 23.510 3.620 363 HG22 THR 49 1HG2 THR 49 21.440 23.395 3.428 364 HG23 THR 49 2HG2 THR 49 20.423 21.992 3.099 365 H GLU 50 H GLU 50 22.743 20.863 1.712 366 HA GLU 50 HA GLU 50 20.907 18.950 0.469 367 HB2 GLU 50 1HB GLU 50 23.575 18.442 1.823 368 HB3 GLU 50 2HB GLU 50 22.485 17.181 1.308 369 HG2 GLU 50 1HG GLU 50 24.169 17.302 -0.311 370 HG3 GLU 50 2HG GLU 50 22.756 18.061 -1.031 371 H LEU 51 H LEU 51 19.951 17.403 1.712 372 HA LEU 51 HA LEU 51 19.969 17.794 4.617 373 HB2 LEU 51 1HB LEU 51 18.070 19.007 3.576 374 HB3 LEU 51 2HB LEU 51 17.543 17.503 2.852 375 HG LEU 51 HG LEU 51 17.313 16.610 5.209 376 HD11 LEU 51 1HD1 LEU 51 17.021 18.262 6.973 377 HD12 LEU 51 2HD1 LEU 51 17.520 19.535 5.856 378 HD13 LEU 51 3HD1 LEU 51 18.668 18.287 6.335 379 HD21 LEU 51 3HD2 LEU 51 15.139 17.620 5.495 380 HD22 LEU 51 1HD2 LEU 51 15.428 17.245 3.799 381 HD23 LEU 51 2HD2 LEU 51 15.563 18.913 4.374 382 H ALA 52 H ALA 52 19.710 15.746 5.678 383 HA ALA 52 HA ALA 52 19.287 13.511 3.820 384 HB1 ALA 52 1HB ALA 52 20.359 12.087 5.519 385 HB2 ALA 52 2HB ALA 52 20.592 13.495 6.554 386 HB3 ALA 52 3HB ALA 52 21.440 13.385 5.012 387 H LEU 53 H LEU 53 17.529 12.320 4.111 388 HA LEU 53 HA LEU 53 16.108 12.502 6.596 389 HB2 LEU 53 1HB LEU 53 13.925 12.773 5.189 390 HB3 LEU 53 2HB LEU 53 14.849 14.160 5.710 391 HG LEU 53 HG LEU 53 15.809 14.381 3.442 392 HD11 LEU 53 1HD1 LEU 53 15.000 13.103 1.630 393 HD12 LEU 53 2HD1 LEU 53 13.976 12.189 2.710 394 HD13 LEU 53 3HD1 LEU 53 15.750 12.019 2.823 395 HD21 LEU 53 3HD2 LEU 53 12.871 14.040 3.427 396 HD22 LEU 53 1HD2 LEU 53 13.797 15.002 2.285 397 HD23 LEU 53 2HD2 LEU 53 13.702 15.506 3.998 398 H LYS 54 H LYS 54 14.162 11.077 6.586 399 HA LYS 54 HA LYS 54 15.108 8.473 5.715 400 HB2 LYS 54 1HB LYS 54 12.763 9.251 7.452 401 HB3 LYS 54 2HB LYS 54 13.220 7.593 7.080 402 HG2 LYS 54 1HG LYS 54 15.403 7.980 8.158 403 HG3 LYS 54 2HG LYS 54 14.885 9.613 8.575 404 HD2 LYS 54 1HD LYS 54 13.065 8.683 9.927 405 HD3 LYS 54 2HD LYS 54 13.577 7.050 9.493 406 HE2 LYS 54 1HE LYS 54 15.741 7.464 10.558 407 HE3 LYS 54 2HE LYS 54 15.217 9.088 10.984 408 HZ1 LYS 54 3HZ LYS 54 15.012 7.531 12.813 409 HZ2 LYS 54 1HZ LYS 54 13.932 6.584 11.932 410 HZ3 LYS 54 2HZ LYS 54 13.520 8.159 12.401 411 H GLU 55 H GLU 55 13.684 6.996 4.559 412 HA GLU 55 HA GLU 55 12.426 8.185 2.349 413 HB2 GLU 55 1HB GLU 55 11.413 5.773 2.058 414 HB3 GLU 55 2HB GLU 55 13.113 6.072 1.775 415 HG2 GLU 55 1HG GLU 55 12.769 3.998 3.007 416 HG3 GLU 55 2HG GLU 55 13.643 5.164 3.986 417 H SER 56 H SER 56 11.199 7.376 5.406 418 HA SER 56 HA SER 56 8.433 7.445 4.830 419 HB2 SER 56 1HB SER 56 9.872 8.019 7.422 420 HB3 SER 56 2HB SER 56 8.164 7.616 7.253 421 HG SER 56 HG SER 56 10.305 5.903 6.413 422 H ASP 57 H ASP 57 10.701 9.900 4.693 423 HA ASP 57 HA ASP 57 8.626 11.928 5.096 424 HB2 ASP 57 1HB ASP 57 11.630 12.116 5.345 425 HB3 ASP 57 2HB ASP 57 10.651 13.556 5.244 426 H ILE 58 H ILE 58 9.693 10.120 2.691 427 HA ILE 58 HA ILE 58 9.982 12.386 0.819 428 HB ILE 58 HB ILE 58 11.037 9.594 0.386 429 HG12 ILE 58 1HG1 ILE 58 12.511 12.089 1.160 430 HG13 ILE 58 2HG1 ILE 58 12.220 10.707 2.214 431 HG21 ILE 58 1HG2 ILE 58 12.274 10.649 -1.470 432 HG22 ILE 58 2HG2 ILE 58 11.505 12.191 -1.101 433 HG23 ILE 58 3HG2 ILE 58 10.531 10.833 -1.667 434 HD11 ILE 58 3HD1 ILE 58 14.435 10.808 1.285 435 HD12 ILE 58 1HD1 ILE 58 13.786 10.654 -0.340 436 HD13 ILE 58 2HD1 ILE 58 13.599 9.310 0.815 437 H ARG 59 H ARG 59 8.633 12.494 -0.781 438 HA ARG 59 HA ARG 59 7.230 10.085 -1.662 439 HB2 ARG 59 1HB ARG 59 5.939 12.737 -1.024 440 HB3 ARG 59 2HB ARG 59 5.306 11.793 -2.361 441 HG2 ARG 59 1HG ARG 59 3.981 11.277 -0.456 442 HG3 ARG 59 2HG ARG 59 5.013 9.887 -0.763 443 HD2 ARG 59 1HD ARG 59 6.590 11.000 0.969 444 HD3 ARG 59 2HD ARG 59 5.145 11.893 1.445 445 HE ARG 59 HE ARG 59 4.579 9.150 1.264 446 HH11 ARG 59 1HH1 ARG 59 5.954 11.546 3.475 447 HH12 ARG 59 2HH1 ARG 59 6.114 10.439 4.764 448 HH21 ARG 59 1HH2 ARG 59 4.736 7.679 3.062 449 HH22 ARG 59 2HH2 ARG 59 5.357 8.214 4.554 450 H LEU 60 H LEU 60 6.416 10.391 -3.966 451 HA LEU 60 HA LEU 60 8.575 11.570 -5.476 452 HB2 LEU 60 1HB LEU 60 6.033 10.227 -6.450 453 HB3 LEU 60 2HB LEU 60 7.381 10.691 -7.456 454 HG LEU 60 HG LEU 60 8.761 9.044 -6.081 455 HD11 LEU 60 1HD1 LEU 60 6.026 8.064 -5.312 456 HD12 LEU 60 2HD1 LEU 60 7.266 8.690 -4.228 457 HD13 LEU 60 3HD1 LEU 60 7.529 7.171 -5.084 458 HD21 LEU 60 3HD2 LEU 60 8.129 8.645 -8.390 459 HD22 LEU 60 1HD2 LEU 60 6.564 8.023 -7.871 460 HD23 LEU 60 2HD2 LEU 60 8.040 7.151 -7.462 461 H GLN 61 H GLN 61 7.700 12.840 -7.596 462 HA GLN 61 HA GLN 61 6.378 15.162 -6.707 463 HB2 GLN 61 1HB GLN 61 6.814 14.121 -9.515 464 HB3 GLN 61 2HB GLN 61 6.078 15.678 -9.170 465 HG2 GLN 61 1HG GLN 61 8.113 16.397 -8.029 466 HG3 GLN 61 2HG GLN 61 8.856 14.836 -8.362 467 HE21 GLN 61 2HE2 GLN 61 9.585 17.603 -9.195 468 HE22 GLN 61 1HE2 GLN 61 9.676 17.539 -10.903 469 H SER 62 H SER 62 5.263 12.182 -8.029 470 HA SER 62 HA SER 62 3.301 11.081 -7.867 471 HB2 SER 62 1HB SER 62 2.559 13.251 -5.906 472 HB3 SER 62 2HB SER 62 1.844 11.641 -6.013 473 HG SER 62 HG SER 62 4.315 12.450 -5.000 474 H SER 63 H SER 63 3.575 13.368 -9.744 475 HA SER 63 HA SER 63 0.821 14.252 -10.016 476 HB2 SER 63 1HB SER 63 3.315 14.983 -11.556 477 HB3 SER 63 2HB SER 63 1.741 15.762 -11.726 478 HG SER 63 HG SER 63 2.863 15.613 -9.158 479 H PHE 64 H PHE 64 -0.158 14.062 -12.240 480 HA PHE 64 HA PHE 64 0.266 11.450 -13.213 481 HB2 PHE 64 1HB PHE 64 -1.330 12.184 -15.137 482 HB3 PHE 64 2HB PHE 64 -1.976 12.031 -13.518 483 HD1 PHE 64 HD1 PHE 64 -0.908 14.445 -16.111 484 HD2 PHE 64 HD2 PHE 64 -2.943 13.878 -12.437 485 HE1 PHE 64 HE1 PHE 64 -1.883 16.702 -16.298 486 HE2 PHE 64 HE2 PHE 64 -3.909 16.134 -12.609 487 HZ PHE 64 HZ PHE 64 -3.376 17.546 -14.549 488 H LYS 65 H LYS 65 1.610 10.709 -14.486 489 HA LYS 65 HA LYS 65 3.750 12.307 -15.411 490 HB2 LYS 65 1HB LYS 65 3.175 9.398 -15.956 491 HB3 LYS 65 2HB LYS 65 4.712 10.217 -16.177 492 HG2 LYS 65 1HG LYS 65 4.848 10.603 -13.760 493 HG3 LYS 65 2HG LYS 65 3.288 9.810 -13.550 494 HD2 LYS 65 1HD LYS 65 5.019 8.227 -13.016 495 HD3 LYS 65 2HD LYS 65 4.280 7.744 -14.540 496 HE2 LYS 65 1HE LYS 65 6.152 8.787 -15.761 497 HE3 LYS 65 2HE LYS 65 6.882 9.235 -14.219 498 HZ1 LYS 65 3HZ LYS 65 7.004 6.840 -13.687 499 HZ2 LYS 65 1HZ LYS 65 7.872 7.235 -15.088 500 HZ3 LYS 65 2HZ LYS 65 6.391 6.501 -15.227 501 H GLN 66 H GLN 66 4.659 12.063 -17.607 502 HA GLN 66 HA GLN 66 2.781 11.696 -19.754 503 HB2 GLN 66 1HB GLN 66 2.650 14.122 -19.084 504 HB3 GLN 66 2HB GLN 66 4.375 14.248 -19.394 505 HG2 GLN 66 1HG GLN 66 3.954 13.591 -21.742 506 HG3 GLN 66 2HG GLN 66 2.226 13.624 -21.401 507 HE21 GLN 66 2HE2 GLN 66 5.072 15.474 -21.837 508 HE22 GLN 66 1HE2 GLN 66 4.323 17.016 -21.978 Start of MODEL 6 1 H1 GLY 1 H GLY 1 0.204 -7.251 0.679 2 HA2 GLY 1 2HA GLY 1 1.332 -7.177 2.753 3 HA3 GLY 1 1HA GLY 1 1.657 -8.908 2.614 4 H ALA 2 H ALA 2 3.525 -6.622 2.771 5 HA ALA 2 HA ALA 2 4.956 -7.165 0.280 6 HB1 ALA 2 1HB ALA 2 4.855 -4.551 1.781 7 HB2 ALA 2 2HB ALA 2 4.078 -4.880 0.233 8 HB3 ALA 2 3HB ALA 2 5.837 -4.878 0.355 9 H MET 3 H MET 3 6.447 -8.554 0.944 10 HA MET 3 HA MET 3 8.102 -7.797 3.235 11 HB2 MET 3 1HB MET 3 6.613 -9.895 3.491 12 HB3 MET 3 2HB MET 3 7.661 -10.640 2.302 13 HG2 MET 3 1HG MET 3 8.518 -9.587 5.001 14 HG3 MET 3 2HG MET 3 8.256 -11.272 4.600 15 HE1 MET 3 3HE MET 3 9.894 -12.665 2.961 16 HE2 MET 3 1HE MET 3 11.266 -11.936 2.128 17 HE3 MET 3 2HE MET 3 9.629 -11.465 1.693 18 H GLY 4 H GLY 4 9.964 -7.073 2.379 19 HA2 GLY 4 1HA GLY 4 11.686 -8.703 0.932 20 HA3 GLY 4 2HA GLY 4 10.854 -7.655 -0.219 21 H MET 5 H MET 5 13.286 -7.106 -0.359 22 HA MET 5 HA MET 5 13.737 -4.837 1.436 23 HB2 MET 5 1HB MET 5 15.822 -6.603 0.121 24 HB3 MET 5 2HB MET 5 16.174 -5.136 1.013 25 HG2 MET 5 1HG MET 5 15.265 -6.160 3.042 26 HG3 MET 5 2HG MET 5 14.931 -7.634 2.133 27 HE1 MET 5 3HE MET 5 16.630 -7.589 4.825 28 HE2 MET 5 1HE MET 5 17.954 -8.672 4.399 29 HE3 MET 5 2HE MET 5 16.303 -9.058 3.907 30 HA PRO 6 HA PRO 6 13.154 -3.061 -2.701 31 HB2 PRO 6 1HB PRO 6 12.570 -0.551 -1.858 32 HB3 PRO 6 2HB PRO 6 11.384 -1.858 -1.825 33 HG2 PRO 6 1HG PRO 6 13.053 -0.771 0.405 34 HG3 PRO 6 2HG PRO 6 11.340 -1.223 0.404 35 HD2 PRO 6 1HD PRO 6 13.283 -2.820 1.403 36 HD3 PRO 6 2HD PRO 6 11.801 -3.464 0.669 37 H ASN 7 H ASN 7 15.324 -2.293 -0.221 38 HA ASN 7 HA ASN 7 17.259 -1.200 0.022 39 HB2 ASN 7 1HB ASN 7 18.047 -2.666 -1.855 40 HB3 ASN 7 2HB ASN 7 17.553 -1.431 -3.009 41 HD21 ASN 7 2HD2 ASN 7 19.664 -1.095 -3.810 42 HD22 ASN 7 1HD2 ASN 7 20.874 -0.342 -2.841 43 H ARG 8 H ARG 8 16.750 0.267 -3.119 44 HA ARG 8 HA ARG 8 16.246 2.762 -1.690 45 HB2 ARG 8 1HB ARG 8 17.656 2.348 -4.331 46 HB3 ARG 8 2HB ARG 8 17.145 3.933 -3.724 47 HG2 ARG 8 1HG ARG 8 18.619 3.553 -1.790 48 HG3 ARG 8 2HG ARG 8 19.158 2.051 -2.543 49 HD2 ARG 8 1HD ARG 8 19.426 4.818 -3.726 50 HD3 ARG 8 2HD ARG 8 20.716 3.896 -2.960 51 HE ARG 8 HE ARG 8 19.337 2.990 -5.396 52 HH11 ARG 8 1HH1 ARG 8 22.379 3.703 -3.678 53 HH12 ARG 8 2HH1 ARG 8 23.336 2.971 -4.863 54 HH21 ARG 8 1HH2 ARG 8 20.721 2.058 -7.006 55 HH22 ARG 8 2HH2 ARG 8 22.406 2.029 -6.771 56 H LYS 9 H LYS 9 14.252 3.136 -1.734 57 HA LYS 9 HA LYS 9 12.369 2.080 -3.599 58 HB2 LYS 9 1HB LYS 9 11.845 2.704 -1.255 59 HB3 LYS 9 2HB LYS 9 12.129 4.386 -1.657 60 HG2 LYS 9 1HG LYS 9 10.240 4.247 -3.273 61 HG3 LYS 9 2HG LYS 9 9.905 2.621 -2.655 62 HD2 LYS 9 1HD LYS 9 9.632 3.529 -0.409 63 HD3 LYS 9 2HD LYS 9 9.994 5.140 -1.012 64 HE2 LYS 9 1HE LYS 9 7.998 4.963 -2.477 65 HE3 LYS 9 2HE LYS 9 7.592 3.440 -1.678 66 HZ1 LYS 9 3HZ LYS 9 7.710 4.800 0.459 67 HZ2 LYS 9 1HZ LYS 9 6.389 5.159 -0.571 68 HZ3 LYS 9 2HZ LYS 9 7.754 6.144 -0.550 69 H TYR 10 H TYR 10 14.120 5.046 -3.212 70 HA TYR 10 HA TYR 10 13.074 6.079 -5.743 71 HB2 TYR 10 1HB TYR 10 14.385 7.645 -3.489 72 HB3 TYR 10 2HB TYR 10 13.573 8.308 -4.903 73 HD1 TYR 10 HD2 TYR 10 11.045 7.671 -5.134 74 HD2 TYR 10 HD1 TYR 10 13.209 7.479 -1.497 75 HE1 TYR 10 HE2 TYR 10 8.921 7.721 -3.883 76 HE2 TYR 10 HE1 TYR 10 11.097 7.511 -0.223 77 HH TYR 10 HH TYR 10 8.688 8.335 -0.625 78 H ALA 11 H ALA 11 14.602 6.146 -7.313 79 HA ALA 11 HA ALA 11 17.234 5.144 -6.746 80 HB1 ALA 11 1HB ALA 11 16.085 4.567 -8.828 81 HB2 ALA 11 2HB ALA 11 17.596 5.414 -9.168 82 HB3 ALA 11 3HB ALA 11 16.058 6.267 -9.290 83 H ASP 12 H ASP 12 19.198 6.306 -7.117 84 HA ASP 12 HA ASP 12 18.992 8.957 -6.090 85 HB2 ASP 12 1HB ASP 12 21.425 8.981 -5.918 86 HB3 ASP 12 2HB ASP 12 20.802 7.461 -5.305 87 H GLY 13 H GLY 13 19.218 10.879 -7.037 88 HA2 GLY 13 1HA GLY 13 20.024 12.300 -8.754 89 HA3 GLY 13 2HA GLY 13 19.894 10.958 -9.885 90 H GLU 14 H GLU 14 17.204 10.577 -8.128 91 HA GLU 14 HA GLU 14 15.603 11.611 -10.277 92 HB2 GLU 14 1HB GLU 14 15.259 9.374 -9.225 93 HB3 GLU 14 2HB GLU 14 14.784 10.197 -7.749 94 HG2 GLU 14 1HG GLU 14 12.861 9.418 -9.090 95 HG3 GLU 14 2HG GLU 14 12.873 11.168 -8.859 96 H VAL 15 H VAL 15 13.822 13.083 -9.988 97 HA VAL 15 HA VAL 15 14.292 14.879 -7.739 98 HB VAL 15 HB VAL 15 14.193 16.000 -9.927 99 HG11 VAL 15 1HG1 VAL 15 11.407 14.908 -10.200 100 HG12 VAL 15 2HG1 VAL 15 12.817 14.471 -11.167 101 HG13 VAL 15 3HG1 VAL 15 12.154 16.104 -11.263 102 HG21 VAL 15 3HG2 VAL 15 13.393 17.272 -8.031 103 HG22 VAL 15 1HG2 VAL 15 11.768 16.628 -8.256 104 HG23 VAL 15 2HG2 VAL 15 12.470 17.690 -9.473 105 H VAL 16 H VAL 16 12.952 15.000 -6.102 106 HA VAL 16 HA VAL 16 10.417 13.584 -6.202 107 HB VAL 16 HB VAL 16 10.930 12.532 -3.953 108 HG11 VAL 16 1HG1 VAL 16 11.012 11.202 -6.013 109 HG12 VAL 16 2HG1 VAL 16 12.232 10.667 -4.858 110 HG13 VAL 16 3HG1 VAL 16 12.700 11.661 -6.239 111 HG21 VAL 16 3HG2 VAL 16 12.784 13.913 -3.268 112 HG22 VAL 16 1HG2 VAL 16 13.753 13.362 -4.641 113 HG23 VAL 16 2HG2 VAL 16 13.308 12.232 -3.365 114 H MET 17 H MET 17 9.345 13.892 -3.886 115 HA MET 17 HA MET 17 9.723 16.713 -3.146 116 HB2 MET 17 1HB MET 17 7.253 14.978 -2.788 117 HB3 MET 17 2HB MET 17 7.386 16.680 -2.373 118 HG2 MET 17 1HG MET 17 7.547 15.536 -5.156 119 HG3 MET 17 2HG MET 17 6.123 16.288 -4.452 120 HE1 MET 17 3HE MET 17 5.849 18.854 -4.040 121 HE2 MET 17 1HE MET 17 7.155 20.029 -4.198 122 HE3 MET 17 2HE MET 17 7.221 18.804 -2.931 123 H GLY 18 H GLY 18 10.295 17.028 -1.034 124 HA2 GLY 18 1HA GLY 18 10.248 14.653 0.768 125 HA3 GLY 18 2HA GLY 18 11.678 15.546 0.537 126 H ARG 19 H ARG 19 10.084 15.151 2.906 127 HA ARG 19 HA ARG 19 8.800 17.655 3.560 128 HB2 ARG 19 1HB ARG 19 7.893 15.606 4.445 129 HB3 ARG 19 2HB ARG 19 9.436 15.190 5.175 130 HG2 ARG 19 1HG ARG 19 9.198 17.315 6.528 131 HG3 ARG 19 2HG ARG 19 7.534 17.362 5.963 132 HD2 ARG 19 1HD ARG 19 6.986 15.372 7.048 133 HD3 ARG 19 2HD ARG 19 8.677 14.921 7.266 134 HE ARG 19 HE ARG 19 7.352 17.138 8.675 135 HH11 ARG 19 1HH1 ARG 19 9.745 14.491 8.607 136 HH12 ARG 19 2HH1 ARG 19 10.309 14.799 10.177 137 HH21 ARG 19 1HH2 ARG 19 8.105 17.526 10.807 138 HH22 ARG 19 2HH2 ARG 19 9.329 16.558 11.501 139 H TRP 20 H TRP 20 9.697 19.316 4.635 140 HA TRP 20 HA TRP 20 12.495 19.176 5.363 141 HB2 TRP 20 1HB TRP 20 11.505 21.230 4.333 142 HB3 TRP 20 2HB TRP 20 10.523 21.457 5.776 143 HD1 TRP 20 HD1 TRP 20 11.881 22.240 8.041 144 HE1 TRP 20 HE1 TRP 20 14.110 23.485 8.308 145 HE3 TRP 20 HE3 TRP 20 13.741 21.576 3.342 146 HZ2 TRP 20 HZ2 TRP 20 16.374 24.124 6.707 147 HZ3 TRP 20 HZ3 TRP 20 15.924 22.526 2.781 148 HH2 TRP 20 HH2 TRP 20 17.214 23.765 4.386 149 HA PRO 21 HA PRO 21 11.456 17.662 9.500 150 HB2 PRO 21 1HB PRO 21 13.928 18.228 10.603 151 HB3 PRO 21 2HB PRO 21 13.551 16.750 9.712 152 HG2 PRO 21 1HG PRO 21 14.889 19.245 8.769 153 HG3 PRO 21 2HG PRO 21 15.287 17.561 8.398 154 HD2 PRO 21 1HD PRO 21 13.995 19.077 6.650 155 HD3 PRO 21 2HD PRO 21 13.564 17.366 6.854 156 H GLY 22 H GLY 22 10.380 18.749 10.970 157 HA2 GLY 22 1HA GLY 22 10.270 20.408 12.702 158 HA3 GLY 22 2HA GLY 22 11.246 21.466 11.679 159 H SER 23 H SER 23 9.720 20.575 9.312 160 HA SER 23 HA SER 23 7.313 22.172 9.717 161 HB2 SER 23 1HB SER 23 8.927 21.650 7.205 162 HB3 SER 23 2HB SER 23 7.541 22.731 7.335 163 HG SER 23 HG SER 23 9.580 23.807 7.434 164 H VAL 24 H VAL 24 5.552 21.412 8.130 165 HA VAL 24 HA VAL 24 5.642 18.482 7.890 166 HB VAL 24 HB VAL 24 3.897 19.473 9.430 167 HG11 VAL 24 1HG1 VAL 24 2.690 20.559 6.906 168 HG12 VAL 24 2HG1 VAL 24 3.348 21.478 8.260 169 HG13 VAL 24 3HG1 VAL 24 1.897 20.503 8.480 170 HG21 VAL 24 3HG2 VAL 24 2.009 18.084 8.628 171 HG22 VAL 24 1HG2 VAL 24 3.556 17.237 8.557 172 HG23 VAL 24 2HG2 VAL 24 2.841 17.889 7.085 173 H LEU 25 H LEU 25 6.288 21.007 6.191 174 HA LEU 25 HA LEU 25 4.700 20.518 3.824 175 HB2 LEU 25 1HB LEU 25 6.753 22.544 4.452 176 HB3 LEU 25 2HB LEU 25 6.004 22.356 2.880 177 HG LEU 25 HG LEU 25 4.721 23.236 5.453 178 HD11 LEU 25 1HD1 LEU 25 5.831 24.861 4.059 179 HD12 LEU 25 2HD1 LEU 25 4.047 25.060 3.954 180 HD13 LEU 25 3HD1 LEU 25 4.947 24.152 2.704 181 HD21 LEU 25 3HD2 LEU 25 3.174 21.612 4.489 182 HD22 LEU 25 1HD2 LEU 25 3.377 22.372 2.900 183 HD23 LEU 25 2HD2 LEU 25 2.595 23.255 4.208 184 H TYR 26 H TYR 26 5.400 19.878 1.941 185 HA TYR 26 HA TYR 26 8.021 18.572 1.817 186 HB2 TYR 26 1HB TYR 26 5.412 17.949 0.393 187 HB3 TYR 26 2HB TYR 26 6.954 17.235 -0.053 188 HD1 TYR 26 HD2 TYR 26 4.782 17.669 2.967 189 HD2 TYR 26 HD1 TYR 26 7.487 15.173 0.840 190 HE1 TYR 26 HE2 TYR 26 4.450 15.901 4.632 191 HE2 TYR 26 HE1 TYR 26 7.170 13.401 2.489 192 HH TYR 26 HH TYR 26 6.422 13.172 4.870 193 H TYR 27 H TYR 27 9.393 19.282 0.370 194 HA TYR 27 HA TYR 27 8.415 21.243 -1.588 195 HB2 TYR 27 1HB TYR 27 11.132 21.174 -0.290 196 HB3 TYR 27 2HB TYR 27 10.524 22.422 -1.368 197 HD1 TYR 27 HD2 TYR 27 8.500 23.805 -0.549 198 HD2 TYR 27 HD1 TYR 27 10.851 21.370 2.028 199 HE1 TYR 27 HE2 TYR 27 7.652 25.049 1.410 200 HE2 TYR 27 HE1 TYR 27 10.007 22.619 3.975 201 HH TYR 27 HH TYR 27 9.072 24.794 4.478 202 H GLU 28 H GLU 28 10.168 21.425 -3.362 203 HA GLU 28 HA GLU 28 10.456 18.727 -4.376 204 HB2 GLU 28 1HB GLU 28 9.540 20.446 -5.878 205 HB3 GLU 28 2HB GLU 28 11.035 21.362 -5.744 206 HG2 GLU 28 1HG GLU 28 12.272 19.572 -6.793 207 HG3 GLU 28 2HG GLU 28 10.824 18.576 -6.855 208 H VAL 29 H VAL 29 12.243 17.633 -4.402 209 HA VAL 29 HA VAL 29 14.793 19.003 -4.014 210 HB VAL 29 HB VAL 29 15.496 17.273 -2.422 211 HG11 VAL 29 1HG1 VAL 29 14.633 19.339 -1.539 212 HG12 VAL 29 2HG1 VAL 29 14.191 17.988 -0.494 213 HG13 VAL 29 3HG1 VAL 29 12.994 18.694 -1.581 214 HG21 VAL 29 3HG2 VAL 29 13.840 15.786 -1.365 215 HG22 VAL 29 1HG2 VAL 29 14.052 15.466 -3.088 216 HG23 VAL 29 2HG2 VAL 29 12.630 16.348 -2.525 217 H GLN 30 H GLN 30 16.572 17.598 -4.582 218 HA GLN 30 HA GLN 30 15.793 15.465 -6.479 219 HB2 GLN 30 1HB GLN 30 18.391 17.013 -6.304 220 HB3 GLN 30 2HB GLN 30 18.022 15.756 -7.467 221 HG2 GLN 30 1HG GLN 30 16.367 17.145 -8.505 222 HG3 GLN 30 2HG GLN 30 16.586 18.400 -7.284 223 HE21 GLN 30 2HE2 GLN 30 16.968 18.536 -10.170 224 HE22 GLN 30 1HE2 GLN 30 18.615 19.010 -10.398 225 H VAL 31 H VAL 31 16.408 13.452 -5.835 226 HA VAL 31 HA VAL 31 17.799 13.251 -3.348 227 HB VAL 31 HB VAL 31 16.041 11.539 -4.003 228 HG11 VAL 31 1HG1 VAL 31 16.467 9.820 -5.515 229 HG12 VAL 31 2HG1 VAL 31 17.927 10.660 -6.048 230 HG13 VAL 31 3HG1 VAL 31 16.346 11.410 -6.262 231 HG21 VAL 31 3HG2 VAL 31 17.673 10.920 -2.287 232 HG22 VAL 31 1HG2 VAL 31 18.767 10.341 -3.543 233 HG23 VAL 31 2HG2 VAL 31 17.222 9.533 -3.277 234 H THR 32 H THR 32 19.927 12.973 -3.015 235 HA THR 32 HA THR 32 21.470 12.908 -5.485 236 HB THR 32 HB THR 32 21.401 15.176 -4.519 237 HG1 THR 32 HG1 THR 32 23.491 13.915 -5.384 238 HG21 THR 32 3HG2 THR 32 22.647 15.698 -2.451 239 HG22 THR 32 1HG2 THR 32 22.901 13.972 -2.185 240 HG23 THR 32 2HG2 THR 32 21.272 14.638 -2.139 241 H SER 33 H SER 33 21.229 11.710 -2.211 242 HA SER 33 HA SER 33 23.185 9.725 -2.903 243 HB2 SER 33 1HB SER 33 23.647 11.503 -0.464 244 HB3 SER 33 2HB SER 33 24.576 10.072 -0.886 245 HG SER 33 HG SER 33 24.545 11.574 -3.016 246 H TYR 34 H TYR 34 23.327 8.088 -1.049 247 HA TYR 34 HA TYR 34 20.981 7.998 0.643 248 HB2 TYR 34 1HB TYR 34 20.109 6.951 -1.326 249 HB3 TYR 34 2HB TYR 34 21.583 6.030 -1.569 250 HD1 TYR 34 HD2 TYR 34 18.720 6.405 0.792 251 HD2 TYR 34 HD1 TYR 34 21.724 3.842 -0.775 252 HE1 TYR 34 HE2 TYR 34 17.724 4.503 1.984 253 HE2 TYR 34 HE1 TYR 34 20.731 1.938 0.401 254 HH TYR 34 HH TYR 34 19.340 1.512 2.325 255 H ASP 35 H ASP 35 21.575 7.207 2.554 256 HA ASP 35 HA ASP 35 24.086 5.697 2.725 257 HB2 ASP 35 1HB ASP 35 23.923 7.570 4.329 258 HB3 ASP 35 2HB ASP 35 22.406 6.914 4.943 259 H ASP 36 H ASP 36 24.020 3.651 2.904 260 HA ASP 36 HA ASP 36 21.558 2.241 2.734 261 HB2 ASP 36 1HB ASP 36 23.448 1.415 1.529 262 HB3 ASP 36 2HB ASP 36 24.413 1.310 2.992 263 H ALA 37 H ALA 37 23.960 2.665 5.224 264 HA ALA 37 HA ALA 37 23.057 0.692 6.992 265 HB1 ALA 37 1HB ALA 37 24.418 1.810 8.663 266 HB2 ALA 37 2HB ALA 37 24.550 3.221 7.610 267 HB3 ALA 37 3HB ALA 37 25.270 1.686 7.125 268 H SER 38 H SER 38 22.362 4.207 7.008 269 HA SER 38 HA SER 38 20.440 3.740 9.151 270 HB2 SER 38 1HB SER 38 21.187 6.316 7.762 271 HB3 SER 38 2HB SER 38 20.287 6.154 9.265 272 HG SER 38 HG SER 38 22.980 5.588 8.739 273 H HIS 39 H HIS 39 20.371 3.467 5.878 274 HA HIS 39 HA HIS 39 18.827 3.519 4.209 275 HB2 HIS 39 1HB HIS 39 16.844 3.428 6.519 276 HB3 HIS 39 2HB HIS 39 16.429 3.140 4.838 277 HD1 HIS 39 HD1 HIS 39 16.748 1.277 7.743 278 HD2 HIS 39 HD2 HIS 39 18.369 0.825 3.945 279 HE1 HIS 39 HE1 HIS 39 17.319 -1.153 7.521 280 H LEU 40 H LEU 40 19.892 5.865 4.767 281 HA LEU 40 HA LEU 40 17.691 7.805 5.035 282 HB2 LEU 40 1HB LEU 40 20.331 7.702 6.161 283 HB3 LEU 40 2HB LEU 40 20.158 9.152 5.196 284 HG LEU 40 HG LEU 40 18.193 9.803 6.530 285 HD11 LEU 40 1HD1 LEU 40 17.378 7.611 7.177 286 HD12 LEU 40 2HD1 LEU 40 17.650 8.625 8.593 287 HD13 LEU 40 3HD1 LEU 40 18.808 7.364 8.176 288 HD21 LEU 40 3HD2 LEU 40 20.641 9.174 8.170 289 HD22 LEU 40 1HD2 LEU 40 19.385 10.336 8.595 290 HD23 LEU 40 2HD2 LEU 40 20.393 10.610 7.174 291 H TYR 41 H TYR 41 17.281 9.221 3.461 292 HA TYR 41 HA TYR 41 18.828 8.859 1.011 293 HB2 TYR 41 1HB TYR 41 15.995 9.807 1.503 294 HB3 TYR 41 2HB TYR 41 16.791 9.884 -0.059 295 HD1 TYR 41 HD2 TYR 41 15.958 7.374 2.604 296 HD2 TYR 41 HD1 TYR 41 16.406 8.164 -1.551 297 HE1 TYR 41 HE2 TYR 41 15.137 5.118 2.093 298 HE2 TYR 41 HE1 TYR 41 15.585 5.903 -2.072 299 HH TYR 41 HH TYR 41 14.276 3.859 0.435 300 H THR 42 H THR 42 20.106 10.503 0.528 301 HA THR 42 HA THR 42 19.700 12.999 1.967 302 HB THR 42 HB THR 42 21.962 12.264 0.133 303 HG1 THR 42 HG1 THR 42 21.247 11.091 2.403 304 HG21 THR 42 3HG2 THR 42 21.796 14.622 0.805 305 HG22 THR 42 1HG2 THR 42 23.198 13.874 1.570 306 HG23 THR 42 2HG2 THR 42 21.725 14.144 2.500 307 H VAL 43 H VAL 43 18.939 14.685 0.954 308 HA VAL 43 HA VAL 43 18.589 14.532 -1.935 309 HB VAL 43 HB VAL 43 16.445 15.711 -1.679 310 HG11 VAL 43 1HG1 VAL 43 16.382 13.301 -1.854 311 HG12 VAL 43 2HG1 VAL 43 15.111 13.856 -0.767 312 HG13 VAL 43 3HG1 VAL 43 16.584 13.145 -0.110 313 HG21 VAL 43 3HG2 VAL 43 16.842 15.317 1.295 314 HG22 VAL 43 1HG2 VAL 43 15.360 15.897 0.528 315 HG23 VAL 43 2HG2 VAL 43 16.836 16.861 0.439 316 H LYS 44 H LYS 44 18.367 16.580 -2.897 317 HA LYS 44 HA LYS 44 20.094 18.611 -1.638 318 HB2 LYS 44 1HB LYS 44 20.896 17.422 -3.643 319 HB3 LYS 44 2HB LYS 44 19.466 17.940 -4.511 320 HG2 LYS 44 1HG LYS 44 20.309 20.331 -3.979 321 HG3 LYS 44 2HG LYS 44 21.852 19.525 -3.662 322 HD2 LYS 44 1HD LYS 44 20.250 19.425 -6.224 323 HD3 LYS 44 2HD LYS 44 21.795 20.240 -5.976 324 HE2 LYS 44 1HE LYS 44 22.919 18.153 -5.697 325 HE3 LYS 44 2HE LYS 44 21.399 17.261 -5.681 326 HZ1 LYS 44 3HZ LYS 44 22.556 18.722 -8.000 327 HZ2 LYS 44 1HZ LYS 44 21.037 17.996 -7.971 328 HZ3 LYS 44 2HZ LYS 44 22.421 17.044 -7.826 329 H TYR 45 H TYR 45 19.038 20.565 -1.322 330 HA TYR 45 HA TYR 45 16.430 20.958 -2.555 331 HB2 TYR 45 1HB TYR 45 17.854 22.299 -0.271 332 HB3 TYR 45 2HB TYR 45 16.488 23.071 -1.050 333 HD1 TYR 45 HD1 TYR 45 17.532 20.134 0.946 334 HD2 TYR 45 HD2 TYR 45 14.295 22.367 -0.645 335 HE1 TYR 45 HE1 TYR 45 15.967 18.860 2.360 336 HE2 TYR 45 HE2 TYR 45 12.717 21.118 0.744 337 HH TYR 45 HH TYR 45 13.721 19.086 3.305 338 H LYS 46 H LYS 46 15.969 22.753 -3.748 339 HA LYS 46 HA LYS 46 17.943 23.846 -5.406 340 HB2 LYS 46 1HB LYS 46 15.558 23.655 -5.994 341 HB3 LYS 46 2HB LYS 46 15.157 24.810 -4.747 342 HG2 LYS 46 1HG LYS 46 16.263 26.562 -5.869 343 HG3 LYS 46 2HG LYS 46 16.926 25.446 -7.067 344 HD2 LYS 46 1HD LYS 46 14.694 24.976 -7.899 345 HD3 LYS 46 2HD LYS 46 13.990 26.018 -6.660 346 HE2 LYS 46 1HE LYS 46 14.163 27.108 -8.883 347 HE3 LYS 46 2HE LYS 46 15.031 27.950 -7.603 348 HZ1 LYS 46 3HZ LYS 46 16.299 27.818 -9.651 349 HZ2 LYS 46 1HZ LYS 46 16.297 26.138 -9.604 350 HZ3 LYS 46 2HZ LYS 46 17.101 27.034 -8.413 351 H ASP 47 H ASP 47 16.965 24.526 -2.295 352 HA ASP 47 HA ASP 47 17.716 27.266 -1.952 353 HB2 ASP 47 1HB ASP 47 16.147 25.941 -0.510 354 HB3 ASP 47 2HB ASP 47 17.518 25.005 0.041 355 H GLY 48 H GLY 48 19.547 24.552 -2.627 356 HA2 GLY 48 1HA GLY 48 21.871 24.503 -2.848 357 HA3 GLY 48 2HA GLY 48 21.990 25.816 -1.684 358 H THR 49 H THR 49 20.240 24.549 0.204 359 HA THR 49 HA THR 49 22.099 23.096 1.754 360 HB THR 49 HB THR 49 19.101 23.269 2.107 361 HG1 THR 49 HG1 THR 49 19.351 25.395 2.382 362 HG21 THR 49 3HG2 THR 49 19.692 23.264 4.502 363 HG22 THR 49 1HG2 THR 49 21.403 23.173 4.083 364 HG23 THR 49 2HG2 THR 49 20.328 21.828 3.699 365 H GLU 50 H GLU 50 22.487 20.852 1.695 366 HA GLU 50 HA GLU 50 20.339 19.235 0.540 367 HB2 GLU 50 1HB GLU 50 21.955 17.369 0.379 368 HB3 GLU 50 2HB GLU 50 22.527 18.775 -0.495 369 HG2 GLU 50 1HG GLU 50 24.082 19.286 1.236 370 HG3 GLU 50 2HG GLU 50 23.392 18.025 2.263 371 H LEU 51 H LEU 51 19.685 17.336 1.649 372 HA LEU 51 HA LEU 51 20.026 17.466 4.575 373 HB2 LEU 51 1HB LEU 51 18.122 18.824 3.952 374 HB3 LEU 51 2HB LEU 51 17.473 17.498 3.012 375 HG LEU 51 HG LEU 51 17.311 16.208 5.161 376 HD11 LEU 51 1HD1 LEU 51 17.244 17.503 7.227 377 HD12 LEU 51 2HD1 LEU 51 17.802 18.926 6.344 378 HD13 LEU 51 3HD1 LEU 51 18.848 17.517 6.496 379 HD21 LEU 51 3HD2 LEU 51 15.711 18.730 4.849 380 HD22 LEU 51 1HD2 LEU 51 15.251 17.312 5.787 381 HD23 LEU 51 2HD2 LEU 51 15.412 17.192 4.035 382 H ALA 52 H ALA 52 19.828 15.356 5.536 383 HA ALA 52 HA ALA 52 18.958 13.268 3.672 384 HB1 ALA 52 1HB ALA 52 20.667 12.960 6.133 385 HB2 ALA 52 2HB ALA 52 21.267 12.946 4.475 386 HB3 ALA 52 3HB ALA 52 20.189 11.667 5.036 387 H LEU 53 H LEU 53 17.284 12.101 4.147 388 HA LEU 53 HA LEU 53 16.132 12.177 6.786 389 HB2 LEU 53 1HB LEU 53 13.841 12.546 5.580 390 HB3 LEU 53 2HB LEU 53 14.844 13.916 6.000 391 HG LEU 53 HG LEU 53 15.637 14.046 3.657 392 HD11 LEU 53 1HD1 LEU 53 14.447 12.865 1.969 393 HD12 LEU 53 2HD1 LEU 53 13.756 11.823 3.213 394 HD13 LEU 53 3HD1 LEU 53 15.526 11.857 2.946 395 HD21 LEU 53 3HD2 LEU 53 13.523 14.658 2.591 396 HD22 LEU 53 1HD2 LEU 53 13.724 15.406 4.201 397 HD23 LEU 53 2HD2 LEU 53 12.687 13.982 3.986 398 H LYS 54 H LYS 54 14.049 10.696 6.660 399 HA LYS 54 HA LYS 54 15.016 8.166 5.634 400 HB2 LYS 54 1HB LYS 54 12.560 8.822 7.252 401 HB3 LYS 54 2HB LYS 54 13.027 7.194 6.779 402 HG2 LYS 54 1HG LYS 54 15.120 7.439 8.041 403 HG3 LYS 54 2HG LYS 54 14.619 9.050 8.543 404 HD2 LYS 54 1HD LYS 54 13.152 6.483 9.168 405 HD3 LYS 54 2HD LYS 54 14.197 7.362 10.284 406 HE2 LYS 54 1HE LYS 54 12.695 9.307 10.118 407 HE3 LYS 54 2HE LYS 54 11.646 8.390 9.042 408 HZ1 LYS 54 3HZ LYS 54 10.828 8.368 11.289 409 HZ2 LYS 54 1HZ LYS 54 12.256 7.681 11.863 410 HZ3 LYS 54 2HZ LYS 54 11.244 6.818 10.817 411 H GLU 55 H GLU 55 13.435 6.671 4.550 412 HA GLU 55 HA GLU 55 12.541 7.627 2.079 413 HB2 GLU 55 1HB GLU 55 13.110 5.340 2.284 414 HB3 GLU 55 2HB GLU 55 12.099 5.125 3.690 415 HG2 GLU 55 1HG GLU 55 10.925 5.614 0.967 416 HG3 GLU 55 2HG GLU 55 11.423 4.008 1.484 417 H SER 56 H SER 56 10.984 7.332 5.127 418 HA SER 56 HA SER 56 8.314 7.451 4.177 419 HB2 SER 56 1HB SER 56 9.372 7.869 6.964 420 HB3 SER 56 2HB SER 56 7.753 7.336 6.497 421 HG SER 56 HG SER 56 9.332 5.649 5.298 422 H ASP 57 H ASP 57 10.677 9.781 4.430 423 HA ASP 57 HA ASP 57 8.737 11.920 4.890 424 HB2 ASP 57 1HB ASP 57 11.738 11.843 5.142 425 HB3 ASP 57 2HB ASP 57 10.887 13.369 4.977 426 H ILE 58 H ILE 58 9.793 10.165 2.396 427 HA ILE 58 HA ILE 58 9.945 12.502 0.621 428 HB ILE 58 HB ILE 58 11.161 9.766 0.133 429 HG12 ILE 58 1HG1 ILE 58 12.415 12.416 0.764 430 HG13 ILE 58 2HG1 ILE 58 12.411 10.972 1.775 431 HG21 ILE 58 1HG2 ILE 58 10.403 10.860 -1.934 432 HG22 ILE 58 2HG2 ILE 58 12.169 10.789 -1.847 433 HG23 ILE 58 3HG2 ILE 58 11.328 12.299 -1.487 434 HD11 ILE 58 3HD1 ILE 58 14.521 11.360 0.663 435 HD12 ILE 58 1HD1 ILE 58 13.744 11.212 -0.909 436 HD13 ILE 58 2HD1 ILE 58 13.808 9.809 0.179 437 H ARG 59 H ARG 59 8.703 12.560 -1.053 438 HA ARG 59 HA ARG 59 7.098 10.209 -1.792 439 HB2 ARG 59 1HB ARG 59 6.129 13.075 -1.600 440 HB3 ARG 59 2HB ARG 59 5.269 11.798 -2.447 441 HG2 ARG 59 1HG ARG 59 5.056 10.562 -0.330 442 HG3 ARG 59 2HG ARG 59 5.860 11.893 0.504 443 HD2 ARG 59 1HD ARG 59 3.380 11.975 0.680 444 HD3 ARG 59 2HD ARG 59 4.075 13.404 -0.083 445 HE ARG 59 HE ARG 59 3.510 12.239 -2.237 446 HH11 ARG 59 1HH1 ARG 59 1.504 11.882 0.656 447 HH12 ARG 59 2HH1 ARG 59 0.096 11.459 -0.186 448 HH21 ARG 59 1HH2 ARG 59 1.588 11.734 -3.416 449 HH22 ARG 59 2HH2 ARG 59 0.143 11.367 -2.601 450 H LEU 60 H LEU 60 6.271 10.525 -4.131 451 HA LEU 60 HA LEU 60 8.514 11.470 -5.700 452 HB2 LEU 60 1HB LEU 60 5.900 10.172 -6.530 453 HB3 LEU 60 2HB LEU 60 7.143 10.661 -7.653 454 HG LEU 60 HG LEU 60 7.465 8.534 -5.528 455 HD11 LEU 60 1HD1 LEU 60 5.959 7.854 -7.337 456 HD12 LEU 60 2HD1 LEU 60 7.486 6.974 -7.403 457 HD13 LEU 60 3HD1 LEU 60 7.188 8.302 -8.522 458 HD21 LEU 60 3HD2 LEU 60 9.316 9.465 -7.725 459 HD22 LEU 60 1HD2 LEU 60 9.560 8.032 -6.726 460 HD23 LEU 60 2HD2 LEU 60 9.571 9.624 -5.983 461 H GLN 61 H GLN 61 7.555 12.578 -7.881 462 HA GLN 61 HA GLN 61 6.984 15.187 -7.212 463 HB2 GLN 61 1HB GLN 61 6.358 15.461 -9.635 464 HB3 GLN 61 2HB GLN 61 7.924 14.732 -9.317 465 HG2 GLN 61 1HG GLN 61 6.943 12.507 -9.714 466 HG3 GLN 61 2HG GLN 61 5.415 13.282 -10.115 467 HE21 GLN 61 2HE2 GLN 61 8.504 14.662 -11.050 468 HE22 GLN 61 1HE2 GLN 61 8.340 14.305 -12.720 469 H SER 62 H SER 62 4.692 12.615 -7.890 470 HA SER 62 HA SER 62 2.726 13.923 -6.345 471 HB2 SER 62 1HB SER 62 2.332 15.083 -8.528 472 HB3 SER 62 2HB SER 62 2.106 13.529 -9.310 473 HG SER 62 HG SER 62 0.505 14.150 -7.096 474 H SER 63 H SER 63 2.541 11.529 -8.997 475 HA SER 63 HA SER 63 2.356 9.452 -6.986 476 HB2 SER 63 1HB SER 63 0.479 8.427 -8.376 477 HB3 SER 63 2HB SER 63 0.049 9.881 -7.475 478 HG SER 63 HG SER 63 -0.032 9.425 -10.105 479 H PHE 64 H PHE 64 2.109 9.785 -10.514 480 HA PHE 64 HA PHE 64 3.368 9.174 -12.241 481 HB2 PHE 64 1HB PHE 64 5.070 10.489 -10.969 482 HB3 PHE 64 2HB PHE 64 5.626 9.004 -10.228 483 HD1 PHE 64 HD2 PHE 64 5.076 10.496 -13.599 484 HD2 PHE 64 HD1 PHE 64 7.438 7.934 -11.159 485 HE1 PHE 64 HE2 PHE 64 6.651 10.177 -15.463 486 HE2 PHE 64 HE1 PHE 64 9.005 7.612 -13.009 487 HZ PHE 64 HZ PHE 64 8.617 8.732 -15.170 488 H LYS 65 H LYS 65 2.176 6.998 -10.371 489 HA LYS 65 HA LYS 65 3.579 4.863 -11.754 490 HB2 LYS 65 1HB LYS 65 4.467 4.978 -9.428 491 HB3 LYS 65 2HB LYS 65 2.849 4.615 -8.837 492 HG2 LYS 65 1HG LYS 65 2.877 2.499 -10.037 493 HG3 LYS 65 2HG LYS 65 4.489 2.856 -10.646 494 HD2 LYS 65 1HD LYS 65 5.301 2.932 -8.307 495 HD3 LYS 65 2HD LYS 65 3.692 2.437 -7.769 496 HE2 LYS 65 1HE LYS 65 3.892 0.392 -9.142 497 HE3 LYS 65 2HE LYS 65 5.504 0.904 -9.615 498 HZ1 LYS 65 3HZ LYS 65 5.553 -0.708 -7.819 499 HZ2 LYS 65 1HZ LYS 65 4.637 0.317 -6.854 500 HZ3 LYS 65 2HZ LYS 65 6.200 0.763 -7.315 501 H GLN 66 H GLN 66 2.121 4.166 -13.080 502 HA GLN 66 HA GLN 66 -0.163 2.810 -12.133 503 HB2 GLN 66 1HB GLN 66 -1.165 5.036 -12.150 504 HB3 GLN 66 2HB GLN 66 -0.589 5.319 -13.785 505 HG2 GLN 66 1HG GLN 66 -2.045 3.561 -14.618 506 HG3 GLN 66 2HG GLN 66 -2.605 3.227 -12.983 507 HE21 GLN 66 2HE2 GLN 66 -4.043 4.620 -12.021 508 HE22 GLN 66 1HE2 GLN 66 -4.871 5.845 -12.896 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -1.876 -1.593 -3.974 2 HA2 GLY 1 2HA GLY 1 -0.690 -3.340 -2.829 3 HA3 GLY 1 1HA GLY 1 -1.244 -3.858 -4.412 4 H ALA 2 H ALA 2 1.076 -4.619 -2.640 5 HA ALA 2 HA ALA 2 3.413 -3.780 -4.063 6 HB1 ALA 2 1HB ALA 2 4.590 -5.382 -2.626 7 HB2 ALA 2 2HB ALA 2 3.046 -5.992 -2.039 8 HB3 ALA 2 3HB ALA 2 3.535 -4.334 -1.683 9 H MET 3 H MET 3 4.397 -4.785 -5.675 10 HA MET 3 HA MET 3 3.444 -7.426 -6.450 11 HB2 MET 3 1HB MET 3 3.837 -5.076 -8.305 12 HB3 MET 3 2HB MET 3 3.678 -6.735 -8.863 13 HG2 MET 3 1HG MET 3 1.461 -6.864 -7.837 14 HG3 MET 3 2HG MET 3 1.625 -5.201 -7.285 15 HE1 MET 3 3HE MET 3 -0.820 -6.341 -8.923 16 HE2 MET 3 1HE MET 3 -1.105 -5.055 -10.096 17 HE3 MET 3 2HE MET 3 -0.732 -4.653 -8.421 18 H GLY 4 H GLY 4 6.097 -5.047 -6.656 19 HA2 GLY 4 1HA GLY 4 8.010 -6.759 -5.845 20 HA3 GLY 4 2HA GLY 4 7.848 -7.159 -7.540 21 H MET 5 H MET 5 8.692 -4.619 -5.267 22 HA MET 5 HA MET 5 10.541 -3.583 -7.305 23 HB2 MET 5 1HB MET 5 9.174 -2.138 -5.039 24 HB3 MET 5 2HB MET 5 10.722 -1.567 -5.625 25 HG2 MET 5 1HG MET 5 8.979 -0.284 -6.631 26 HG3 MET 5 2HG MET 5 9.719 -1.285 -7.869 27 HE1 MET 5 3HE MET 5 5.999 -0.982 -9.033 28 HE2 MET 5 1HE MET 5 7.690 -0.766 -9.488 29 HE3 MET 5 2HE MET 5 6.981 0.253 -8.242 30 HA PRO 6 HA PRO 6 13.423 -5.351 -4.256 31 HB2 PRO 6 1HB PRO 6 15.150 -6.411 -5.987 32 HB3 PRO 6 2HB PRO 6 13.585 -7.188 -5.691 33 HG2 PRO 6 1HG PRO 6 14.429 -5.432 -7.961 34 HG3 PRO 6 2HG PRO 6 13.484 -6.929 -8.003 35 HD2 PRO 6 1HD PRO 6 12.413 -4.382 -8.088 36 HD3 PRO 6 2HD PRO 6 11.524 -5.822 -7.553 37 H ASN 7 H ASN 7 13.505 -2.965 -6.523 38 HA ASN 7 HA ASN 7 16.255 -2.171 -6.175 39 HB2 ASN 7 1HB ASN 7 15.646 -0.176 -7.562 40 HB3 ASN 7 2HB ASN 7 15.288 -1.698 -8.356 41 HD21 ASN 7 2HD2 ASN 7 13.167 -2.184 -8.880 42 HD22 ASN 7 1HD2 ASN 7 11.885 -1.045 -8.687 43 H ARG 8 H ARG 8 16.655 0.162 -5.470 44 HA ARG 8 HA ARG 8 15.789 0.370 -2.819 45 HB2 ARG 8 1HB ARG 8 17.939 1.249 -3.946 46 HB3 ARG 8 2HB ARG 8 17.003 2.663 -4.384 47 HG2 ARG 8 1HG ARG 8 18.117 3.176 -2.426 48 HG3 ARG 8 2HG ARG 8 16.420 2.893 -1.999 49 HD2 ARG 8 1HD ARG 8 17.822 1.810 -0.368 50 HD3 ARG 8 2HD ARG 8 17.025 0.573 -1.331 51 HE ARG 8 HE ARG 8 19.346 0.883 -2.635 52 HH11 ARG 8 1HH1 ARG 8 18.515 0.157 0.710 53 HH12 ARG 8 2HH1 ARG 8 20.094 -0.334 1.151 54 HH21 ARG 8 1HH2 ARG 8 21.537 0.128 -2.047 55 HH22 ARG 8 2HH2 ARG 8 21.810 -0.370 -0.435 56 H LYS 9 H LYS 9 14.416 1.812 -1.821 57 HA LYS 9 HA LYS 9 11.894 2.101 -2.816 58 HB2 LYS 9 1HB LYS 9 12.814 2.449 -0.430 59 HB3 LYS 9 2HB LYS 9 13.030 4.130 -0.901 60 HG2 LYS 9 1HG LYS 9 10.977 4.024 0.238 61 HG3 LYS 9 2HG LYS 9 10.565 4.126 -1.475 62 HD2 LYS 9 1HD LYS 9 9.135 2.453 -0.656 63 HD3 LYS 9 2HD LYS 9 10.449 1.558 -1.409 64 HE2 LYS 9 1HE LYS 9 10.110 2.071 1.568 65 HE3 LYS 9 2HE LYS 9 9.780 0.560 0.743 66 HZ1 LYS 9 3HZ LYS 9 12.426 1.821 1.260 67 HZ2 LYS 9 1HZ LYS 9 12.238 0.494 0.200 68 HZ3 LYS 9 2HZ LYS 9 11.840 0.350 1.801 69 H TYR 10 H TYR 10 14.355 4.625 -2.694 70 HA TYR 10 HA TYR 10 13.169 5.793 -5.091 71 HB2 TYR 10 1HB TYR 10 14.479 7.301 -2.794 72 HB3 TYR 10 2HB TYR 10 13.925 8.031 -4.299 73 HD1 TYR 10 HD2 TYR 10 11.569 8.227 -4.779 74 HD2 TYR 10 HD1 TYR 10 12.925 6.632 -1.096 75 HE1 TYR 10 HE2 TYR 10 9.279 8.436 -3.850 76 HE2 TYR 10 HE1 TYR 10 10.692 6.816 -0.152 77 HH TYR 10 HH TYR 10 7.944 7.416 -2.088 78 H ALA 11 H ALA 11 14.615 6.162 -6.691 79 HA ALA 11 HA ALA 11 17.239 4.988 -6.315 80 HB1 ALA 11 1HB ALA 11 15.942 4.378 -8.297 81 HB2 ALA 11 2HB ALA 11 17.431 5.213 -8.754 82 HB3 ALA 11 3HB ALA 11 15.890 6.070 -8.790 83 H ASP 12 H ASP 12 19.151 6.097 -6.835 84 HA ASP 12 HA ASP 12 19.130 8.783 -5.891 85 HB2 ASP 12 1HB ASP 12 21.613 8.586 -6.029 86 HB3 ASP 12 2HB ASP 12 20.855 7.320 -5.074 87 H GLY 13 H GLY 13 19.499 10.633 -6.927 88 HA2 GLY 13 1HA GLY 13 20.397 11.956 -8.651 89 HA3 GLY 13 2HA GLY 13 20.211 10.604 -9.757 90 H GLU 14 H GLU 14 17.444 10.419 -8.159 91 HA GLU 14 HA GLU 14 16.031 11.592 -10.374 92 HB2 GLU 14 1HB GLU 14 15.557 9.318 -9.609 93 HB3 GLU 14 2HB GLU 14 15.116 9.945 -8.031 94 HG2 GLU 14 1HG GLU 14 13.157 10.982 -8.926 95 HG3 GLU 14 2HG GLU 14 13.703 10.710 -10.576 96 H VAL 15 H VAL 15 14.176 13.089 -10.075 97 HA VAL 15 HA VAL 15 14.585 14.778 -7.744 98 HB VAL 15 HB VAL 15 14.321 15.886 -9.975 99 HG11 VAL 15 1HG1 VAL 15 11.492 14.882 -9.925 100 HG12 VAL 15 2HG1 VAL 15 12.757 14.381 -11.040 101 HG13 VAL 15 3HG1 VAL 15 12.150 16.040 -11.079 102 HG21 VAL 15 3HG2 VAL 15 12.701 17.613 -9.309 103 HG22 VAL 15 1HG2 VAL 15 13.792 17.162 -7.996 104 HG23 VAL 15 2HG2 VAL 15 12.136 16.553 -8.017 105 H VAL 16 H VAL 16 13.253 14.791 -6.045 106 HA VAL 16 HA VAL 16 10.755 13.277 -6.167 107 HB VAL 16 HB VAL 16 11.270 12.254 -3.930 108 HG11 VAL 16 1HG1 VAL 16 12.782 10.492 -4.738 109 HG12 VAL 16 2HG1 VAL 16 13.189 11.493 -6.132 110 HG13 VAL 16 3HG1 VAL 16 11.542 10.895 -5.924 111 HG21 VAL 16 3HG2 VAL 16 14.069 13.267 -4.461 112 HG22 VAL 16 1HG2 VAL 16 13.617 12.148 -3.172 113 HG23 VAL 16 2HG2 VAL 16 12.991 13.794 -3.168 114 H MET 17 H MET 17 9.492 13.702 -4.007 115 HA MET 17 HA MET 17 10.120 16.434 -3.217 116 HB2 MET 17 1HB MET 17 7.426 15.066 -3.316 117 HB3 MET 17 2HB MET 17 7.710 16.617 -2.529 118 HG2 MET 17 1HG MET 17 8.479 17.528 -4.703 119 HG3 MET 17 2HG MET 17 8.067 15.994 -5.458 120 HE1 MET 17 3HE MET 17 6.702 19.148 -3.558 121 HE2 MET 17 1HE MET 17 6.057 17.826 -2.584 122 HE3 MET 17 2HE MET 17 4.968 18.834 -3.526 123 H GLY 18 H GLY 18 10.450 16.840 -1.131 124 HA2 GLY 18 1HA GLY 18 10.226 14.499 0.667 125 HA3 GLY 18 2HA GLY 18 11.609 15.507 0.621 126 H ARG 19 H ARG 19 9.629 14.925 2.701 127 HA ARG 19 HA ARG 19 8.307 17.393 3.336 128 HB2 ARG 19 1HB ARG 19 7.383 15.245 4.043 129 HB3 ARG 19 2HB ARG 19 8.862 14.860 4.894 130 HG2 ARG 19 1HG ARG 19 8.414 16.691 6.471 131 HG3 ARG 19 2HG ARG 19 6.908 17.038 5.617 132 HD2 ARG 19 1HD ARG 19 6.035 14.895 6.133 133 HD3 ARG 19 2HD ARG 19 7.562 14.358 6.861 134 HE ARG 19 HE ARG 19 6.425 16.676 8.073 135 HH11 ARG 19 1HH1 ARG 19 6.316 13.100 8.091 136 HH12 ARG 19 2HH1 ARG 19 5.647 13.005 9.653 137 HH21 ARG 19 1HH2 ARG 19 5.453 16.468 10.263 138 HH22 ARG 19 2HH2 ARG 19 5.144 14.907 10.874 139 H TRP 20 H TRP 20 9.223 19.033 4.451 140 HA TRP 20 HA TRP 20 11.947 18.923 5.175 141 HB2 TRP 20 1HB TRP 20 10.668 21.041 4.620 142 HB3 TRP 20 2HB TRP 20 9.870 20.915 6.177 143 HD1 TRP 20 HD1 TRP 20 11.362 21.499 8.360 144 HE1 TRP 20 HE1 TRP 20 13.584 22.774 8.621 145 HE3 TRP 20 HE3 TRP 20 12.867 21.484 3.492 146 HZ2 TRP 20 HZ2 TRP 20 15.704 23.658 6.961 147 HZ3 TRP 20 HZ3 TRP 20 14.994 22.548 2.902 148 HH2 TRP 20 HH2 TRP 20 16.382 23.602 4.557 149 HA PRO 21 HA PRO 21 11.568 16.276 8.674 150 HB2 PRO 21 1HB PRO 21 13.678 17.407 10.151 151 HB3 PRO 21 2HB PRO 21 13.793 16.072 9.000 152 HG2 PRO 21 1HG PRO 21 14.327 18.973 8.607 153 HG3 PRO 21 2HG PRO 21 15.161 17.574 7.907 154 HD2 PRO 21 1HD PRO 21 13.480 19.017 6.464 155 HD3 PRO 21 2HD PRO 21 13.507 17.247 6.298 156 H GLY 22 H GLY 22 9.844 16.583 9.898 157 HA2 GLY 22 1HA GLY 22 8.958 17.127 12.028 158 HA3 GLY 22 2HA GLY 22 10.057 18.495 12.103 159 H SER 23 H SER 23 9.144 19.134 9.245 160 HA SER 23 HA SER 23 6.892 20.771 10.117 161 HB2 SER 23 1HB SER 23 8.611 20.951 7.646 162 HB3 SER 23 2HB SER 23 7.478 22.172 8.215 163 HG SER 23 HG SER 23 9.199 21.538 10.176 164 H VAL 24 H VAL 24 5.303 21.174 8.149 165 HA VAL 24 HA VAL 24 4.643 18.524 7.048 166 HB VAL 24 HB VAL 24 2.927 19.696 8.464 167 HG11 VAL 24 1HG1 VAL 24 2.796 21.686 6.217 168 HG12 VAL 24 2HG1 VAL 24 3.328 21.987 7.872 169 HG13 VAL 24 3HG1 VAL 24 1.646 21.576 7.549 170 HG21 VAL 24 3HG2 VAL 24 2.182 18.006 6.903 171 HG22 VAL 24 1HG2 VAL 24 2.098 19.199 5.605 172 HG23 VAL 24 2HG2 VAL 24 0.992 19.309 6.976 173 H LEU 25 H LEU 25 6.049 21.419 6.215 174 HA LEU 25 HA LEU 25 5.172 21.925 3.645 175 HB2 LEU 25 1HB LEU 25 7.681 22.471 5.182 176 HB3 LEU 25 2HB LEU 25 7.472 23.005 3.534 177 HG LEU 25 HG LEU 25 7.150 24.692 5.240 178 HD11 LEU 25 1HD1 LEU 25 6.106 25.006 3.054 179 HD12 LEU 25 2HD1 LEU 25 5.045 25.677 4.293 180 HD13 LEU 25 3HD1 LEU 25 4.682 24.108 3.577 181 HD21 LEU 25 3HD2 LEU 25 6.086 23.506 7.015 182 HD22 LEU 25 1HD2 LEU 25 4.663 23.195 6.022 183 HD23 LEU 25 2HD2 LEU 25 5.042 24.843 6.528 184 H TYR 26 H TYR 26 5.478 20.780 1.861 185 HA TYR 26 HA TYR 26 7.715 18.910 1.728 186 HB2 TYR 26 1HB TYR 26 5.068 18.993 0.316 187 HB3 TYR 26 2HB TYR 26 6.424 18.134 -0.394 188 HD1 TYR 26 HD2 TYR 26 4.153 18.236 2.538 189 HD2 TYR 26 HD1 TYR 26 7.104 16.043 0.410 190 HE1 TYR 26 HE2 TYR 26 3.657 16.244 3.906 191 HE2 TYR 26 HE1 TYR 26 6.624 14.065 1.751 192 HH TYR 26 HH TYR 26 3.875 13.848 3.751 193 H TYR 27 H TYR 27 9.278 19.186 0.351 194 HA TYR 27 HA TYR 27 9.064 21.408 -1.553 195 HB2 TYR 27 1HB TYR 27 11.386 20.499 0.120 196 HB3 TYR 27 2HB TYR 27 11.571 21.583 -1.255 197 HD1 TYR 27 HD1 TYR 27 10.345 21.275 2.203 198 HD2 TYR 27 HD2 TYR 27 10.823 23.873 -1.126 199 HE1 TYR 27 HE1 TYR 27 9.892 23.215 3.655 200 HE2 TYR 27 HE2 TYR 27 10.374 25.807 0.301 201 HH TYR 27 HH TYR 27 10.322 25.609 3.699 202 H GLU 28 H GLU 28 10.414 21.138 -3.419 203 HA GLU 28 HA GLU 28 10.512 18.333 -4.224 204 HB2 GLU 28 1HB GLU 28 9.235 19.919 -5.659 205 HB3 GLU 28 2HB GLU 28 10.694 20.860 -5.899 206 HG2 GLU 28 1HG GLU 28 11.719 19.071 -7.120 207 HG3 GLU 28 2HG GLU 28 10.381 17.988 -6.738 208 H VAL 29 H VAL 29 12.427 17.380 -4.437 209 HA VAL 29 HA VAL 29 14.830 19.047 -4.275 210 HB VAL 29 HB VAL 29 15.747 17.500 -2.559 211 HG11 VAL 29 1HG1 VAL 29 13.205 18.878 -1.768 212 HG12 VAL 29 2HG1 VAL 29 14.806 19.615 -1.873 213 HG13 VAL 29 3HG1 VAL 29 14.485 18.371 -0.668 214 HG21 VAL 29 3HG2 VAL 29 14.346 15.556 -2.981 215 HG22 VAL 29 1HG2 VAL 29 12.923 16.442 -2.428 216 HG23 VAL 29 2HG2 VAL 29 14.219 16.053 -1.294 217 H GLN 30 H GLN 30 16.767 17.780 -4.756 218 HA GLN 30 HA GLN 30 16.082 15.537 -6.562 219 HB2 GLN 30 1HB GLN 30 18.519 17.317 -6.471 220 HB3 GLN 30 2HB GLN 30 18.377 15.902 -7.499 221 HG2 GLN 30 1HG GLN 30 16.567 16.915 -8.723 222 HG3 GLN 30 2HG GLN 30 16.559 18.296 -7.624 223 HE21 GLN 30 2HE2 GLN 30 17.043 18.099 -10.531 224 HE22 GLN 30 1HE2 GLN 30 18.586 18.838 -10.784 225 H VAL 31 H VAL 31 16.746 13.520 -5.977 226 HA VAL 31 HA VAL 31 18.110 13.345 -3.479 227 HB VAL 31 HB VAL 31 16.394 11.587 -4.016 228 HG11 VAL 31 1HG1 VAL 31 18.083 10.707 -6.217 229 HG12 VAL 31 2HG1 VAL 31 16.529 11.531 -6.290 230 HG13 VAL 31 3HG1 VAL 31 16.639 9.930 -5.571 231 HG21 VAL 31 3HG2 VAL 31 17.672 9.575 -3.476 232 HG22 VAL 31 1HG2 VAL 31 18.136 10.938 -2.449 233 HG23 VAL 31 2HG2 VAL 31 19.165 10.455 -3.798 234 H THR 32 H THR 32 20.158 13.070 -3.065 235 HA THR 32 HA THR 32 21.909 13.343 -5.411 236 HB THR 32 HB THR 32 22.516 14.338 -2.634 237 HG1 THR 32 HG1 THR 32 20.495 15.062 -4.247 238 HG21 THR 32 3HG2 THR 32 23.222 15.305 -5.398 239 HG22 THR 32 1HG2 THR 32 24.297 14.377 -4.346 240 HG23 THR 32 2HG2 THR 32 23.768 16.004 -3.875 241 H SER 33 H SER 33 21.597 11.909 -2.162 242 HA SER 33 HA SER 33 23.347 9.796 -2.943 243 HB2 SER 33 1HB SER 33 24.929 11.544 -2.054 244 HB3 SER 33 2HB SER 33 24.055 11.516 -0.526 245 HG SER 33 HG SER 33 26.029 9.953 -1.286 246 H TYR 34 H TYR 34 23.561 8.463 -0.679 247 HA TYR 34 HA TYR 34 21.137 8.437 0.810 248 HB2 TYR 34 1HB TYR 34 20.133 7.529 -1.134 249 HB3 TYR 34 2HB TYR 34 21.528 6.521 -1.480 250 HD1 TYR 34 HD2 TYR 34 18.950 6.988 1.196 251 HD2 TYR 34 HD1 TYR 34 21.345 4.288 -1.037 252 HE1 TYR 34 HE2 TYR 34 17.876 5.097 2.329 253 HE2 TYR 34 HE1 TYR 34 20.286 2.408 0.077 254 HH TYR 34 HH TYR 34 19.122 1.993 2.264 255 H ASP 35 H ASP 35 21.598 7.601 2.705 256 HA ASP 35 HA ASP 35 23.950 5.882 3.060 257 HB2 ASP 35 1HB ASP 35 23.600 7.720 4.692 258 HB3 ASP 35 2HB ASP 35 22.015 7.046 5.069 259 H ASP 36 H ASP 36 23.748 3.839 3.077 260 HA ASP 36 HA ASP 36 21.196 2.621 2.564 261 HB2 ASP 36 1HB ASP 36 23.455 2.011 1.535 262 HB3 ASP 36 2HB ASP 36 23.825 1.222 3.059 263 H ALA 37 H ALA 37 23.500 2.757 5.169 264 HA ALA 37 HA ALA 37 22.627 0.646 6.756 265 HB1 ALA 37 1HB ALA 37 24.772 1.806 7.011 266 HB2 ALA 37 2HB ALA 37 23.895 1.664 8.534 267 HB3 ALA 37 3HB ALA 37 23.924 3.203 7.671 268 H SER 38 H SER 38 21.909 4.124 7.147 269 HA SER 38 HA SER 38 19.789 3.301 8.957 270 HB2 SER 38 1HB SER 38 21.130 5.968 8.603 271 HB3 SER 38 2HB SER 38 19.791 5.665 9.722 272 HG SER 38 HG SER 38 22.419 5.105 9.932 273 H HIS 39 H HIS 39 20.033 3.909 5.803 274 HA HIS 39 HA HIS 39 18.545 4.222 4.137 275 HB2 HIS 39 1HB HIS 39 16.417 4.199 6.311 276 HB3 HIS 39 2HB HIS 39 16.120 3.993 4.587 277 HD1 HIS 39 HD1 HIS 39 17.326 2.176 7.631 278 HD2 HIS 39 HD2 HIS 39 16.757 1.454 3.585 279 HE1 HIS 39 HE1 HIS 39 17.507 -0.306 7.337 280 H LEU 40 H LEU 40 19.851 6.359 4.941 281 HA LEU 40 HA LEU 40 17.885 8.552 5.180 282 HB2 LEU 40 1HB LEU 40 20.731 8.348 6.038 283 HB3 LEU 40 2HB LEU 40 20.192 9.906 5.469 284 HG LEU 40 HG LEU 40 20.153 9.765 7.904 285 HD11 LEU 40 1HD1 LEU 40 17.892 10.530 8.317 286 HD12 LEU 40 2HD1 LEU 40 17.392 9.917 6.744 287 HD13 LEU 40 3HD1 LEU 40 18.562 11.233 6.847 288 HD21 LEU 40 3HD2 LEU 40 19.730 7.391 8.176 289 HD22 LEU 40 1HD2 LEU 40 18.096 7.600 7.548 290 HD23 LEU 40 2HD2 LEU 40 18.556 8.353 9.078 291 H TYR 41 H TYR 41 17.410 9.719 3.453 292 HA TYR 41 HA TYR 41 19.085 9.362 1.111 293 HB2 TYR 41 1HB TYR 41 16.268 10.293 1.551 294 HB3 TYR 41 2HB TYR 41 17.117 10.641 0.050 295 HD1 TYR 41 HD1 TYR 41 15.760 7.924 2.178 296 HD2 TYR 41 HD2 TYR 41 17.461 8.994 -1.558 297 HE1 TYR 41 HE1 TYR 41 15.135 5.715 1.249 298 HE2 TYR 41 HE2 TYR 41 16.841 6.817 -2.484 299 HH TYR 41 HH TYR 41 16.303 4.730 -1.842 300 H THR 42 H THR 42 20.444 10.889 0.568 301 HA THR 42 HA THR 42 20.232 13.456 1.918 302 HB THR 42 HB THR 42 22.338 12.480 -0.009 303 HG1 THR 42 HG1 THR 42 21.738 11.577 2.454 304 HG21 THR 42 3HG2 THR 42 23.768 14.101 1.179 305 HG22 THR 42 1HG2 THR 42 22.415 14.526 2.227 306 HG23 THR 42 2HG2 THR 42 22.340 14.895 0.506 307 H VAL 43 H VAL 43 19.446 15.133 0.805 308 HA VAL 43 HA VAL 43 19.091 14.842 -2.085 309 HB VAL 43 HB VAL 43 16.932 16.012 -1.883 310 HG11 VAL 43 1HG1 VAL 43 17.093 13.510 -0.203 311 HG12 VAL 43 2HG1 VAL 43 16.855 13.590 -1.951 312 HG13 VAL 43 3HG1 VAL 43 15.611 14.193 -0.863 313 HG21 VAL 43 3HG2 VAL 43 17.316 17.254 0.187 314 HG22 VAL 43 1HG2 VAL 43 17.326 15.747 1.103 315 HG23 VAL 43 2HG2 VAL 43 15.846 16.290 0.319 316 H LYS 44 H LYS 44 18.961 16.831 -3.181 317 HA LYS 44 HA LYS 44 20.448 18.995 -1.885 318 HB2 LYS 44 1HB LYS 44 21.376 17.883 -3.928 319 HB3 LYS 44 2HB LYS 44 19.965 18.418 -4.817 320 HG2 LYS 44 1HG LYS 44 20.619 20.771 -4.320 321 HG3 LYS 44 2HG LYS 44 22.102 20.154 -3.591 322 HD2 LYS 44 1HD LYS 44 21.239 19.736 -6.462 323 HD3 LYS 44 2HD LYS 44 22.468 20.873 -5.915 324 HE2 LYS 44 1HE LYS 44 23.836 19.000 -5.119 325 HE3 LYS 44 2HE LYS 44 22.596 17.862 -5.639 326 HZ1 LYS 44 3HZ LYS 44 22.916 18.633 -7.918 327 HZ2 LYS 44 1HZ LYS 44 24.348 18.023 -7.292 328 HZ3 LYS 44 2HZ LYS 44 24.110 19.691 -7.429 329 H TYR 45 H TYR 45 19.444 20.881 -1.588 330 HA TYR 45 HA TYR 45 16.733 21.251 -2.567 331 HB2 TYR 45 1HB TYR 45 18.300 22.395 -0.297 332 HB3 TYR 45 2HB TYR 45 16.970 23.341 -0.936 333 HD1 TYR 45 HD1 TYR 45 17.903 20.283 0.855 334 HD2 TYR 45 HD2 TYR 45 14.709 22.638 -0.658 335 HE1 TYR 45 HE1 TYR 45 16.301 18.971 2.184 336 HE2 TYR 45 HE2 TYR 45 13.109 21.352 0.629 337 HH TYR 45 HH TYR 45 14.059 19.201 3.120 338 H LYS 46 H LYS 46 16.112 23.401 -3.158 339 HA LYS 46 HA LYS 46 17.426 24.427 -5.403 340 HB2 LYS 46 1HB LYS 46 15.022 24.606 -4.962 341 HB3 LYS 46 2HB LYS 46 15.345 25.631 -3.579 342 HG2 LYS 46 1HG LYS 46 16.231 27.351 -5.102 343 HG3 LYS 46 2HG LYS 46 15.816 26.310 -6.470 344 HD2 LYS 46 1HD LYS 46 13.465 26.349 -5.805 345 HD3 LYS 46 2HD LYS 46 13.865 27.350 -4.413 346 HE2 LYS 46 1HE LYS 46 14.653 29.113 -5.916 347 HE3 LYS 46 2HE LYS 46 14.224 28.113 -7.307 348 HZ1 LYS 46 3HZ LYS 46 12.496 29.757 -6.788 349 HZ2 LYS 46 1HZ LYS 46 12.348 29.119 -5.250 350 HZ3 LYS 46 2HZ LYS 46 11.900 28.194 -6.571 351 H ASP 47 H ASP 47 17.682 25.114 -2.053 352 HA ASP 47 HA ASP 47 18.978 27.691 -2.261 353 HB2 ASP 47 1HB ASP 47 18.700 25.824 0.089 354 HB3 ASP 47 2HB ASP 47 19.272 27.481 0.161 355 H GLY 48 H GLY 48 20.013 24.639 -2.873 356 HA2 GLY 48 1HA GLY 48 22.201 24.075 -3.413 357 HA3 GLY 48 2HA GLY 48 22.787 25.397 -2.401 358 H THR 49 H THR 49 21.130 24.660 -0.174 359 HA THR 49 HA THR 49 22.785 23.132 1.391 360 HB THR 49 HB THR 49 19.800 23.397 1.665 361 HG1 THR 49 HG1 THR 49 21.854 25.250 2.345 362 HG21 THR 49 3HG2 THR 49 20.892 21.960 3.344 363 HG22 THR 49 1HG2 THR 49 20.309 23.455 4.075 364 HG23 THR 49 2HG2 THR 49 22.025 23.256 3.723 365 H GLU 50 H GLU 50 23.117 20.919 1.516 366 HA GLU 50 HA GLU 50 21.093 19.189 0.325 367 HB2 GLU 50 1HB GLU 50 23.654 18.274 1.640 368 HB3 GLU 50 2HB GLU 50 22.668 17.403 0.484 369 HG2 GLU 50 1HG GLU 50 24.403 17.987 -0.863 370 HG3 GLU 50 2HG GLU 50 23.388 19.411 -1.085 371 H LEU 51 H LEU 51 20.136 17.572 1.553 372 HA LEU 51 HA LEU 51 20.367 17.818 4.473 373 HB2 LEU 51 1HB LEU 51 18.499 19.242 3.662 374 HB3 LEU 51 2HB LEU 51 17.794 17.824 2.921 375 HG LEU 51 HG LEU 51 17.548 16.815 5.170 376 HD11 LEU 51 1HD1 LEU 51 19.309 18.008 6.318 377 HD12 LEU 51 2HD1 LEU 51 17.765 18.254 7.134 378 HD13 LEU 51 3HD1 LEU 51 18.440 19.528 6.109 379 HD21 LEU 51 3HD2 LEU 51 15.684 17.940 4.120 380 HD22 LEU 51 1HD2 LEU 51 16.237 19.498 4.744 381 HD23 LEU 51 2HD2 LEU 51 15.680 18.249 5.856 382 H ALA 52 H ALA 52 19.831 15.810 5.566 383 HA ALA 52 HA ALA 52 19.250 13.633 3.708 384 HB1 ALA 52 1HB ALA 52 20.192 12.129 5.397 385 HB2 ALA 52 2HB ALA 52 20.495 13.491 6.468 386 HB3 ALA 52 3HB ALA 52 21.379 13.356 4.952 387 H LEU 53 H LEU 53 17.442 12.560 3.992 388 HA LEU 53 HA LEU 53 15.962 12.813 6.451 389 HB2 LEU 53 1HB LEU 53 13.835 13.085 4.984 390 HB3 LEU 53 2HB LEU 53 14.781 14.483 5.435 391 HG LEU 53 HG LEU 53 15.780 14.548 3.180 392 HD11 LEU 53 1HD1 LEU 53 13.995 12.254 2.570 393 HD12 LEU 53 2HD1 LEU 53 15.781 12.233 2.645 394 HD13 LEU 53 3HD1 LEU 53 14.936 13.201 1.421 395 HD21 LEU 53 3HD2 LEU 53 13.724 15.024 1.916 396 HD22 LEU 53 1HD2 LEU 53 13.761 15.806 3.523 397 HD23 LEU 53 2HD2 LEU 53 12.832 14.319 3.267 398 H LYS 54 H LYS 54 14.017 11.308 6.397 399 HA LYS 54 HA LYS 54 15.133 8.785 5.525 400 HB2 LYS 54 1HB LYS 54 12.732 9.368 7.253 401 HB3 LYS 54 2HB LYS 54 13.274 7.752 6.802 402 HG2 LYS 54 1HG LYS 54 15.432 8.194 7.891 403 HG3 LYS 54 2HG LYS 54 14.831 9.773 8.392 404 HD2 LYS 54 1HD LYS 54 13.041 8.667 9.667 405 HD3 LYS 54 2HD LYS 54 13.677 7.099 9.174 406 HE2 LYS 54 1HE LYS 54 15.778 7.561 10.270 407 HE3 LYS 54 2HE LYS 54 15.220 9.167 10.723 408 HZ1 LYS 54 3HZ LYS 54 13.477 8.089 12.059 409 HZ2 LYS 54 1HZ LYS 54 15.028 7.655 12.565 410 HZ3 LYS 54 2HZ LYS 54 14.104 6.580 11.665 411 H GLU 55 H GLU 55 13.773 7.177 4.470 412 HA GLU 55 HA GLU 55 12.617 8.148 2.113 413 HB2 GLU 55 1HB GLU 55 11.624 5.775 1.942 414 HB3 GLU 55 2HB GLU 55 13.369 5.945 1.937 415 HG2 GLU 55 1HG GLU 55 13.515 5.249 4.205 416 HG3 GLU 55 2HG GLU 55 11.767 5.351 4.394 417 H SER 56 H SER 56 11.138 7.450 5.219 418 HA SER 56 HA SER 56 8.468 7.608 4.249 419 HB2 SER 56 1HB SER 56 9.003 6.400 6.327 420 HB3 SER 56 2HB SER 56 9.506 7.911 7.086 421 HG SER 56 HG SER 56 7.172 8.482 6.303 422 H ASP 57 H ASP 57 10.820 9.953 4.576 423 HA ASP 57 HA ASP 57 8.856 12.031 5.079 424 HB2 ASP 57 1HB ASP 57 11.872 12.159 4.808 425 HB3 ASP 57 2HB ASP 57 10.859 13.591 4.922 426 H ILE 58 H ILE 58 10.099 10.264 2.535 427 HA ILE 58 HA ILE 58 9.928 12.521 0.693 428 HB ILE 58 HB ILE 58 11.031 9.730 0.244 429 HG12 ILE 58 1HG1 ILE 58 12.384 12.394 0.600 430 HG13 ILE 58 2HG1 ILE 58 12.388 11.053 1.740 431 HG21 ILE 58 1HG2 ILE 58 10.136 10.687 -1.832 432 HG22 ILE 58 2HG2 ILE 58 11.897 10.611 -1.884 433 HG23 ILE 58 3HG2 ILE 58 11.088 12.149 -1.575 434 HD11 ILE 58 3HD1 ILE 58 14.441 11.301 0.505 435 HD12 ILE 58 1HD1 ILE 58 13.599 11.008 -1.011 436 HD13 ILE 58 2HD1 ILE 58 13.694 9.720 0.208 437 H ARG 59 H ARG 59 8.537 12.594 -0.917 438 HA ARG 59 HA ARG 59 6.796 10.282 -1.435 439 HB2 ARG 59 1HB ARG 59 5.858 13.162 -1.434 440 HB3 ARG 59 2HB ARG 59 4.915 11.800 -2.006 441 HG2 ARG 59 1HG ARG 59 5.038 10.911 0.360 442 HG3 ARG 59 2HG ARG 59 5.708 12.488 0.796 443 HD2 ARG 59 1HD ARG 59 2.991 11.907 -0.386 444 HD3 ARG 59 2HD ARG 59 3.352 12.559 1.210 445 HE ARG 59 HE ARG 59 4.222 14.124 -1.087 446 HH11 ARG 59 1HH1 ARG 59 1.744 13.741 1.431 447 HH12 ARG 59 2HH1 ARG 59 1.168 15.337 1.254 448 HH21 ARG 59 1HH2 ARG 59 3.333 16.261 -1.355 449 HH22 ARG 59 2HH2 ARG 59 2.056 16.771 -0.345 450 H LEU 60 H LEU 60 5.766 10.563 -3.598 451 HA LEU 60 HA LEU 60 7.736 11.438 -5.528 452 HB2 LEU 60 1HB LEU 60 4.996 10.190 -5.848 453 HB3 LEU 60 2HB LEU 60 6.099 10.506 -7.169 454 HG LEU 60 HG LEU 60 6.652 8.608 -4.883 455 HD11 LEU 60 1HD1 LEU 60 6.349 6.849 -6.546 456 HD12 LEU 60 2HD1 LEU 60 5.837 8.056 -7.729 457 HD13 LEU 60 3HD1 LEU 60 4.876 7.777 -6.274 458 HD21 LEU 60 3HD2 LEU 60 8.160 9.130 -7.444 459 HD22 LEU 60 1HD2 LEU 60 8.529 7.865 -6.274 460 HD23 LEU 60 2HD2 LEU 60 8.693 9.558 -5.820 461 H GLN 61 H GLN 61 6.113 12.362 -7.560 462 HA GLN 61 HA GLN 61 5.743 15.028 -7.125 463 HB2 GLN 61 1HB GLN 61 3.904 14.700 -9.091 464 HB3 GLN 61 2HB GLN 61 5.632 14.725 -9.365 465 HG2 GLN 61 1HG GLN 61 4.600 12.911 -10.601 466 HG3 GLN 61 2HG GLN 61 5.674 12.263 -9.380 467 HE21 GLN 61 2HE2 GLN 61 4.732 10.288 -9.286 468 HE22 GLN 61 1HE2 GLN 61 3.159 9.986 -8.679 469 H SER 62 H SER 62 3.387 12.563 -6.486 470 HA SER 62 HA SER 62 1.944 14.377 -4.747 471 HB2 SER 62 1HB SER 62 0.496 12.746 -6.866 472 HB3 SER 62 2HB SER 62 -0.223 13.868 -5.713 473 HG SER 62 HG SER 62 1.350 14.404 -7.989 474 H SER 63 H SER 63 1.616 11.192 -6.304 475 HA SER 63 HA SER 63 2.318 9.766 -3.973 476 HB2 SER 63 1HB SER 63 -0.546 9.715 -4.991 477 HB3 SER 63 2HB SER 63 0.120 8.512 -3.888 478 HG SER 63 HG SER 63 0.588 11.055 -3.071 479 H PHE 64 H PHE 64 1.780 7.317 -4.603 480 HA PHE 64 HA PHE 64 3.246 6.839 -7.011 481 HB2 PHE 64 1HB PHE 64 3.490 5.532 -4.887 482 HB3 PHE 64 2HB PHE 64 1.872 4.902 -5.135 483 HD1 PHE 64 HD2 PHE 64 5.335 4.861 -6.323 484 HD2 PHE 64 HD1 PHE 64 1.468 3.137 -6.724 485 HE1 PHE 64 HE2 PHE 64 6.303 2.999 -7.604 486 HE2 PHE 64 HE1 PHE 64 2.432 1.271 -8.000 487 HZ PHE 64 HZ PHE 64 4.852 1.202 -8.438 488 H LYS 65 H LYS 65 2.346 6.841 -8.927 489 HA LYS 65 HA LYS 65 -0.487 6.229 -9.237 490 HB2 LYS 65 1HB LYS 65 0.357 8.313 -10.260 491 HB3 LYS 65 2HB LYS 65 1.533 7.389 -11.178 492 HG2 LYS 65 1HG LYS 65 -0.314 6.255 -12.355 493 HG3 LYS 65 2HG LYS 65 -1.464 7.247 -11.464 494 HD2 LYS 65 1HD LYS 65 -0.492 9.268 -12.451 495 HD3 LYS 65 2HD LYS 65 0.678 8.277 -13.328 496 HE2 LYS 65 1HE LYS 65 -1.171 7.153 -14.494 497 HE3 LYS 65 2HE LYS 65 -2.320 8.172 -13.631 498 HZ1 LYS 65 3HZ LYS 65 -1.325 10.112 -14.717 499 HZ2 LYS 65 1HZ LYS 65 -1.905 9.005 -15.843 500 HZ3 LYS 65 2HZ LYS 65 -0.259 9.117 -15.551 501 H GLN 66 H GLN 66 -0.929 4.168 -9.640 502 HA GLN 66 HA GLN 66 1.006 2.548 -11.143 503 HB2 GLN 66 1HB GLN 66 0.191 2.034 -8.651 504 HB3 GLN 66 2HB GLN 66 -1.228 1.426 -9.469 505 HG2 GLN 66 1HG GLN 66 1.588 0.427 -9.894 506 HG3 GLN 66 2HG GLN 66 0.394 -0.336 -8.864 507 HE21 GLN 66 2HE2 GLN 66 1.847 -1.453 -11.038 508 HE22 GLN 66 1HE2 GLN 66 0.703 -1.997 -12.202 Start of MODEL 8 1 H1 GLY 1 H GLY 1 4.497 5.611 0.950 2 HA2 GLY 1 2HA GLY 1 4.477 6.317 3.811 3 HA3 GLY 1 1HA GLY 1 3.492 5.067 3.058 4 H ALA 2 H ALA 2 4.847 3.990 4.910 5 HA ALA 2 HA ALA 2 7.250 2.855 3.653 6 HB1 ALA 2 1HB ALA 2 7.865 4.244 5.560 7 HB2 ALA 2 2HB ALA 2 8.161 2.541 5.908 8 HB3 ALA 2 3HB ALA 2 6.746 3.347 6.586 9 H MET 3 H MET 3 7.042 0.755 3.259 10 HA MET 3 HA MET 3 5.544 -0.925 5.087 11 HB2 MET 3 1HB MET 3 4.911 -0.766 2.131 12 HB3 MET 3 2HB MET 3 4.440 -2.104 3.161 13 HG2 MET 3 1HG MET 3 3.066 -0.606 4.489 14 HG3 MET 3 2HG MET 3 3.561 0.752 3.480 15 HE1 MET 3 3HE MET 3 -0.192 0.187 2.493 16 HE2 MET 3 1HE MET 3 1.001 1.349 3.073 17 HE3 MET 3 2HE MET 3 0.539 -0.013 4.087 18 H GLY 4 H GLY 4 6.742 -2.577 5.539 19 HA2 GLY 4 1HA GLY 4 7.846 -4.549 5.109 20 HA3 GLY 4 2HA GLY 4 7.997 -4.079 3.424 21 H MET 5 H MET 5 9.687 -2.487 2.940 22 HA MET 5 HA MET 5 12.026 -2.751 4.737 23 HB2 MET 5 1HB MET 5 11.928 -3.345 1.772 24 HB3 MET 5 2HB MET 5 13.393 -3.212 2.709 25 HG2 MET 5 1HG MET 5 12.787 -5.203 3.957 26 HG3 MET 5 2HG MET 5 11.258 -5.303 3.074 27 HE1 MET 5 3HE MET 5 11.941 -7.849 2.445 28 HE2 MET 5 1HE MET 5 13.500 -7.673 3.242 29 HE3 MET 5 2HE MET 5 13.427 -8.270 1.587 30 HA PRO 6 HA PRO 6 12.886 1.314 2.749 31 HB2 PRO 6 1HB PRO 6 15.751 0.666 2.889 32 HB3 PRO 6 2HB PRO 6 14.894 1.974 3.712 33 HG2 PRO 6 1HG PRO 6 15.922 -0.148 5.041 34 HG3 PRO 6 2HG PRO 6 14.460 0.698 5.574 35 HD2 PRO 6 1HD PRO 6 14.733 -1.884 4.104 36 HD3 PRO 6 2HD PRO 6 13.603 -1.444 5.407 37 H ASN 7 H ASN 7 12.308 0.835 0.671 38 HA ASN 7 HA ASN 7 13.447 -1.511 -0.626 39 HB2 ASN 7 1HB ASN 7 11.342 0.397 -1.621 40 HB3 ASN 7 2HB ASN 7 11.829 -1.082 -2.430 41 HD21 ASN 7 2HD2 ASN 7 11.264 -3.092 -1.474 42 HD22 ASN 7 1HD2 ASN 7 9.977 -3.159 -0.334 43 H ARG 8 H ARG 8 14.359 1.686 -0.549 44 HA ARG 8 HA ARG 8 15.321 3.126 -1.803 45 HB2 ARG 8 1HB ARG 8 17.115 1.370 -2.276 46 HB3 ARG 8 2HB ARG 8 16.185 0.887 -3.698 47 HG2 ARG 8 1HG ARG 8 16.300 3.274 -4.430 48 HG3 ARG 8 2HG ARG 8 17.458 3.515 -3.135 49 HD2 ARG 8 1HD ARG 8 17.847 1.503 -5.363 50 HD3 ARG 8 2HD ARG 8 18.428 3.159 -5.432 51 HE ARG 8 HE ARG 8 19.327 1.360 -3.289 52 HH11 ARG 8 1HH1 ARG 8 20.063 3.322 -6.169 53 HH12 ARG 8 2HH1 ARG 8 21.742 3.285 -5.952 54 HH21 ARG 8 1HH2 ARG 8 21.661 1.265 -3.024 55 HH22 ARG 8 2HH2 ARG 8 22.687 2.055 -4.125 56 H LYS 9 H LYS 9 13.074 3.315 -1.843 57 HA LYS 9 HA LYS 9 11.507 2.718 -4.150 58 HB2 LYS 9 1HB LYS 9 10.704 3.000 -1.825 59 HB3 LYS 9 2HB LYS 9 11.066 4.712 -1.934 60 HG2 LYS 9 1HG LYS 9 9.393 4.947 -3.693 61 HG3 LYS 9 2HG LYS 9 9.033 3.220 -3.580 62 HD2 LYS 9 1HD LYS 9 8.714 5.250 -1.366 63 HD3 LYS 9 2HD LYS 9 7.409 4.544 -2.313 64 HE2 LYS 9 1HE LYS 9 9.266 3.073 -0.411 65 HE3 LYS 9 2HE LYS 9 7.575 3.452 -0.141 66 HZ1 LYS 9 3HZ LYS 9 8.604 1.624 -2.253 67 HZ2 LYS 9 1HZ LYS 9 6.981 2.005 -1.995 68 HZ3 LYS 9 2HZ LYS 9 7.847 1.169 -0.831 69 H TYR 10 H TYR 10 13.724 5.099 -3.280 70 HA TYR 10 HA TYR 10 13.020 6.710 -5.590 71 HB2 TYR 10 1HB TYR 10 14.220 7.702 -2.975 72 HB3 TYR 10 2HB TYR 10 13.725 8.695 -4.347 73 HD1 TYR 10 HD1 TYR 10 11.241 8.681 -4.982 74 HD2 TYR 10 HD2 TYR 10 12.675 7.199 -1.277 75 HE1 TYR 10 HE1 TYR 10 8.954 8.824 -4.049 76 HE2 TYR 10 HE2 TYR 10 10.404 7.328 -0.328 77 HH TYR 10 HH TYR 10 8.315 8.614 -0.760 78 H ALA 11 H ALA 11 14.734 7.197 -6.822 79 HA ALA 11 HA ALA 11 16.987 5.377 -6.605 80 HB1 ALA 11 1HB ALA 11 16.284 7.421 -8.716 81 HB2 ALA 11 2HB ALA 11 15.775 5.739 -8.714 82 HB3 ALA 11 3HB ALA 11 17.482 6.139 -8.880 83 H ASP 12 H ASP 12 18.891 7.083 -8.016 84 HA ASP 12 HA ASP 12 19.358 9.199 -6.076 85 HB2 ASP 12 1HB ASP 12 21.795 8.879 -6.198 86 HB3 ASP 12 2HB ASP 12 21.026 7.408 -5.648 87 H GLY 13 H GLY 13 19.589 11.162 -6.903 88 HA2 GLY 13 1HA GLY 13 20.088 12.748 -8.518 89 HA3 GLY 13 2HA GLY 13 20.180 11.480 -9.736 90 H GLU 14 H GLU 14 17.539 10.776 -8.002 91 HA GLU 14 HA GLU 14 15.798 11.599 -10.115 92 HB2 GLU 14 1HB GLU 14 15.634 9.352 -9.260 93 HB3 GLU 14 2HB GLU 14 15.418 9.930 -7.621 94 HG2 GLU 14 1HG GLU 14 13.228 10.776 -8.180 95 HG3 GLU 14 2HG GLU 14 13.480 10.355 -9.872 96 H VAL 15 H VAL 15 14.240 13.208 -9.970 97 HA VAL 15 HA VAL 15 14.404 14.784 -7.545 98 HB VAL 15 HB VAL 15 14.481 16.054 -9.641 99 HG11 VAL 15 1HG1 VAL 15 12.585 16.235 -11.146 100 HG12 VAL 15 2HG1 VAL 15 11.755 14.962 -10.249 101 HG13 VAL 15 3HG1 VAL 15 13.256 14.605 -11.108 102 HG21 VAL 15 3HG2 VAL 15 11.904 16.541 -8.164 103 HG22 VAL 15 1HG2 VAL 15 12.693 17.692 -9.241 104 HG23 VAL 15 2HG2 VAL 15 13.489 17.190 -7.749 105 H VAL 16 H VAL 16 12.980 14.805 -6.019 106 HA VAL 16 HA VAL 16 10.419 13.427 -6.308 107 HB VAL 16 HB VAL 16 10.818 12.305 -4.081 108 HG11 VAL 16 1HG1 VAL 16 11.080 11.017 -6.126 109 HG12 VAL 16 2HG1 VAL 16 12.292 10.527 -4.939 110 HG13 VAL 16 3HG1 VAL 16 12.745 11.576 -6.279 111 HG21 VAL 16 3HG2 VAL 16 13.139 12.062 -3.297 112 HG22 VAL 16 1HG2 VAL 16 12.598 13.742 -3.249 113 HG23 VAL 16 2HG2 VAL 16 13.667 13.194 -4.540 114 H MET 17 H MET 17 9.310 13.722 -3.922 115 HA MET 17 HA MET 17 9.855 16.484 -3.106 116 HB2 MET 17 1HB MET 17 7.283 14.899 -2.784 117 HB3 MET 17 2HB MET 17 7.568 16.503 -2.134 118 HG2 MET 17 1HG MET 17 7.847 17.346 -4.434 119 HG3 MET 17 2HG MET 17 7.461 15.736 -5.035 120 HE1 MET 17 3HE MET 17 6.156 18.976 -3.343 121 HE2 MET 17 1HE MET 17 5.879 17.829 -2.036 122 HE3 MET 17 2HE MET 17 4.508 18.558 -2.874 123 H GLY 18 H GLY 18 10.463 16.772 -1.042 124 HA2 GLY 18 1HA GLY 18 10.366 14.402 0.732 125 HA3 GLY 18 2HA GLY 18 11.797 15.364 0.574 126 H ARG 19 H ARG 19 9.841 14.917 2.864 127 HA ARG 19 HA ARG 19 8.595 17.485 3.191 128 HB2 ARG 19 1HB ARG 19 7.668 15.422 4.182 129 HB3 ARG 19 2HB ARG 19 9.078 15.322 5.231 130 HG2 ARG 19 1HG ARG 19 8.441 17.556 6.149 131 HG3 ARG 19 2HG ARG 19 6.946 17.442 5.224 132 HD2 ARG 19 1HD ARG 19 6.609 16.740 7.519 133 HD3 ARG 19 2HD ARG 19 6.378 15.393 6.403 134 HE ARG 19 HE ARG 19 8.577 14.610 7.013 135 HH11 ARG 19 1HH1 ARG 19 7.427 17.231 9.109 136 HH12 ARG 19 2HH1 ARG 19 8.086 16.597 10.526 137 HH21 ARG 19 1HH2 ARG 19 9.493 13.725 8.909 138 HH22 ARG 19 2HH2 ARG 19 9.354 14.491 10.430 139 H TRP 20 H TRP 20 9.215 19.160 4.431 140 HA TRP 20 HA TRP 20 11.996 19.264 5.151 141 HB2 TRP 20 1HB TRP 20 10.658 21.252 4.251 142 HB3 TRP 20 2HB TRP 20 9.815 21.284 5.796 143 HD1 TRP 20 HD1 TRP 20 11.191 22.202 7.922 144 HE1 TRP 20 HE1 TRP 20 13.369 23.590 8.086 145 HE3 TRP 20 HE3 TRP 20 12.887 21.662 3.152 146 HZ2 TRP 20 HZ2 TRP 20 15.510 24.325 6.426 147 HZ3 TRP 20 HZ3 TRP 20 14.996 22.739 2.514 148 HH2 TRP 20 HH2 TRP 20 16.275 24.040 4.079 149 HA PRO 21 HA PRO 21 11.096 17.074 8.973 150 HB2 PRO 21 1HB PRO 21 13.344 17.961 10.350 151 HB3 PRO 21 2HB PRO 21 13.290 16.558 9.278 152 HG2 PRO 21 1HG PRO 21 14.173 19.357 8.686 153 HG3 PRO 21 2HG PRO 21 14.903 17.823 8.177 154 HD2 PRO 21 1HD PRO 21 13.463 19.220 6.477 155 HD3 PRO 21 2HD PRO 21 13.265 17.457 6.543 156 H GLY 22 H GLY 22 11.706 20.485 8.924 157 HA2 GLY 22 1HA GLY 22 10.955 20.892 11.670 158 HA3 GLY 22 2HA GLY 22 11.251 22.151 10.479 159 H SER 23 H SER 23 9.325 21.011 8.552 160 HA SER 23 HA SER 23 6.934 21.968 9.920 161 HB2 SER 23 1HB SER 23 6.268 22.772 7.629 162 HB3 SER 23 2HB SER 23 7.695 23.574 8.275 163 HG SER 23 HG SER 23 8.581 22.984 6.469 164 H VAL 24 H VAL 24 5.092 21.279 7.953 165 HA VAL 24 HA VAL 24 5.333 18.358 7.880 166 HB VAL 24 HB VAL 24 2.836 18.306 7.797 167 HG11 VAL 24 1HG1 VAL 24 3.988 19.753 10.187 168 HG12 VAL 24 2HG1 VAL 24 3.976 18.008 9.936 169 HG13 VAL 24 3HG1 VAL 24 2.458 18.876 10.159 170 HG21 VAL 24 3HG2 VAL 24 2.427 20.520 6.872 171 HG22 VAL 24 1HG2 VAL 24 3.085 21.263 8.331 172 HG23 VAL 24 2HG2 VAL 24 1.594 20.342 8.421 173 H LEU 25 H LEU 25 6.018 20.714 5.991 174 HA LEU 25 HA LEU 25 4.308 20.064 3.729 175 HB2 LEU 25 1HB LEU 25 6.317 22.199 4.119 176 HB3 LEU 25 2HB LEU 25 5.446 21.906 2.624 177 HG LEU 25 HG LEU 25 4.459 22.987 5.228 178 HD11 LEU 25 1HD1 LEU 25 5.232 24.464 3.499 179 HD12 LEU 25 2HD1 LEU 25 3.444 24.566 3.641 180 HD13 LEU 25 3HD1 LEU 25 4.206 23.567 2.376 181 HD21 LEU 25 3HD2 LEU 25 2.941 21.162 4.720 182 HD22 LEU 25 1HD2 LEU 25 2.777 21.752 3.061 183 HD23 LEU 25 2HD2 LEU 25 2.162 22.720 4.412 184 H TYR 26 H TYR 26 4.988 19.346 1.843 185 HA TYR 26 HA TYR 26 7.635 18.132 1.759 186 HB2 TYR 26 1HB TYR 26 5.062 17.507 0.310 187 HB3 TYR 26 2HB TYR 26 6.615 16.886 -0.237 188 HD1 TYR 26 HD2 TYR 26 4.405 16.954 2.789 189 HD2 TYR 26 HD1 TYR 26 7.434 14.907 0.612 190 HE1 TYR 26 HE2 TYR 26 4.259 15.067 4.363 191 HE2 TYR 26 HE1 TYR 26 7.295 13.024 2.169 192 HH TYR 26 HH TYR 26 6.585 12.633 4.512 193 H TYR 27 H TYR 27 9.110 18.898 0.542 194 HA TYR 27 HA TYR 27 8.366 20.961 -1.405 195 HB2 TYR 27 1HB TYR 27 10.846 20.650 0.290 196 HB3 TYR 27 2HB TYR 27 10.691 21.844 -0.998 197 HD1 TYR 27 HD2 TYR 27 9.288 20.775 2.274 198 HD2 TYR 27 HD1 TYR 27 9.652 23.939 -0.547 199 HE1 TYR 27 HE2 TYR 27 8.277 22.329 3.891 200 HE2 TYR 27 HE1 TYR 27 8.649 25.498 1.078 201 HH TYR 27 HH TYR 27 7.233 25.445 3.047 202 H GLU 28 H GLU 28 9.760 21.025 -3.271 203 HA GLU 28 HA GLU 28 10.234 18.352 -4.218 204 HB2 GLU 28 1HB GLU 28 9.145 20.071 -5.633 205 HB3 GLU 28 2HB GLU 28 10.633 21.004 -5.619 206 HG2 GLU 28 1HG GLU 28 11.782 19.255 -6.815 207 HG3 GLU 28 2HG GLU 28 10.348 18.231 -6.747 208 H VAL 29 H VAL 29 12.151 17.371 -4.306 209 HA VAL 29 HA VAL 29 14.598 18.925 -3.848 210 HB VAL 29 HB VAL 29 15.397 17.267 -2.231 211 HG11 VAL 29 1HG1 VAL 29 14.276 19.204 -1.342 212 HG12 VAL 29 2HG1 VAL 29 13.954 17.789 -0.339 213 HG13 VAL 29 3HG1 VAL 29 12.722 18.380 -1.455 214 HG21 VAL 29 3HG2 VAL 29 13.893 15.582 -1.264 215 HG22 VAL 29 1HG2 VAL 29 14.170 15.316 -2.987 216 HG23 VAL 29 2HG2 VAL 29 12.654 16.033 -2.440 217 H GLN 30 H GLN 30 16.519 17.643 -4.412 218 HA GLN 30 HA GLN 30 15.873 15.531 -6.365 219 HB2 GLN 30 1HB GLN 30 18.429 17.099 -6.005 220 HB3 GLN 30 2HB GLN 30 18.045 15.999 -7.320 221 HG2 GLN 30 1HG GLN 30 16.413 17.506 -8.180 222 HG3 GLN 30 2HG GLN 30 16.570 18.576 -6.791 223 HE21 GLN 30 2HE2 GLN 30 17.943 17.515 -9.742 224 HE22 GLN 30 1HE2 GLN 30 19.194 18.706 -9.829 225 H VAL 31 H VAL 31 16.475 13.508 -5.692 226 HA VAL 31 HA VAL 31 17.916 13.236 -3.232 227 HB VAL 31 HB VAL 31 16.150 11.551 -3.920 228 HG11 VAL 31 1HG1 VAL 31 16.608 9.863 -5.506 229 HG12 VAL 31 2HG1 VAL 31 18.038 10.768 -6.030 230 HG13 VAL 31 3HG1 VAL 31 16.433 11.473 -6.194 231 HG21 VAL 31 3HG2 VAL 31 17.775 10.875 -2.243 232 HG22 VAL 31 1HG2 VAL 31 18.898 10.392 -3.519 233 HG23 VAL 31 2HG2 VAL 31 17.384 9.524 -3.319 234 H THR 32 H THR 32 20.084 12.765 -2.971 235 HA THR 32 HA THR 32 21.466 12.577 -5.513 236 HB THR 32 HB THR 32 21.795 14.842 -4.694 237 HG1 THR 32 HG1 THR 32 24.315 13.834 -4.153 238 HG21 THR 32 3HG2 THR 32 23.070 13.604 -2.244 239 HG22 THR 32 1HG2 THR 32 21.554 14.503 -2.284 240 HG23 THR 32 2HG2 THR 32 23.076 15.322 -2.639 241 H SER 33 H SER 33 21.548 11.614 -2.099 242 HA SER 33 HA SER 33 23.346 9.445 -2.943 243 HB2 SER 33 1HB SER 33 23.796 11.069 -0.429 244 HB3 SER 33 2HB SER 33 24.843 9.833 -1.119 245 HG SER 33 HG SER 33 25.754 11.398 -2.165 246 H TYR 34 H TYR 34 22.963 7.506 -1.889 247 HA TYR 34 HA TYR 34 20.830 7.550 0.124 248 HB2 TYR 34 1HB TYR 34 20.052 6.460 -1.877 249 HB3 TYR 34 2HB TYR 34 21.501 5.476 -1.968 250 HD1 TYR 34 HD2 TYR 34 19.138 6.133 0.893 251 HD2 TYR 34 HD1 TYR 34 20.850 3.259 -1.743 252 HE1 TYR 34 HE2 TYR 34 17.986 4.342 2.093 253 HE2 TYR 34 HE1 TYR 34 19.691 1.466 -0.526 254 HH TYR 34 HH TYR 34 17.180 2.117 1.611 255 H ASP 35 H ASP 35 21.356 6.936 2.078 256 HA ASP 35 HA ASP 35 23.819 5.403 2.556 257 HB2 ASP 35 1HB ASP 35 23.410 7.452 3.934 258 HB3 ASP 35 2HB ASP 35 21.911 6.723 4.509 259 H ASP 36 H ASP 36 23.664 3.339 2.851 260 HA ASP 36 HA ASP 36 20.989 2.150 3.001 261 HB2 ASP 36 1HB ASP 36 22.413 1.469 1.146 262 HB3 ASP 36 2HB ASP 36 23.663 0.949 2.260 263 H ALA 37 H ALA 37 23.740 2.680 4.957 264 HA ALA 37 HA ALA 37 23.420 0.326 6.567 265 HB1 ALA 37 1HB ALA 37 25.087 2.770 7.108 266 HB2 ALA 37 2HB ALA 37 25.631 1.337 6.239 267 HB3 ALA 37 3HB ALA 37 25.192 1.223 7.945 268 H SER 38 H SER 38 22.884 3.811 7.066 269 HA SER 38 HA SER 38 21.432 3.144 9.515 270 HB2 SER 38 1HB SER 38 22.353 5.827 8.465 271 HB3 SER 38 2HB SER 38 21.705 5.495 10.068 272 HG SER 38 HG SER 38 24.177 4.817 8.944 273 H HIS 39 H HIS 39 20.894 3.570 6.314 274 HA HIS 39 HA HIS 39 19.146 3.958 4.982 275 HB2 HIS 39 1HB HIS 39 17.926 2.304 6.252 276 HB3 HIS 39 2HB HIS 39 17.571 3.453 7.527 277 HD1 HIS 39 HD1 HIS 39 15.014 2.841 7.233 278 HD2 HIS 39 HD2 HIS 39 16.761 4.611 3.906 279 HE1 HIS 39 HE1 HIS 39 13.113 3.588 5.751 280 H LEU 40 H LEU 40 19.922 5.991 4.551 281 HA LEU 40 HA LEU 40 18.001 8.095 5.178 282 HB2 LEU 40 1HB LEU 40 20.983 8.444 5.569 283 HB3 LEU 40 2HB LEU 40 19.937 9.793 5.235 284 HG LEU 40 HG LEU 40 20.346 9.880 7.501 285 HD11 LEU 40 1HD1 LEU 40 17.666 8.577 7.230 286 HD12 LEU 40 2HD1 LEU 40 18.056 10.283 7.061 287 HD13 LEU 40 3HD1 LEU 40 18.228 9.491 8.630 288 HD21 LEU 40 3HD2 LEU 40 20.092 8.024 9.087 289 HD22 LEU 40 1HD2 LEU 40 21.329 7.713 7.868 290 HD23 LEU 40 2HD2 LEU 40 19.748 6.941 7.736 291 H TYR 41 H TYR 41 17.803 9.668 3.598 292 HA TYR 41 HA TYR 41 19.279 9.147 1.123 293 HB2 TYR 41 1HB TYR 41 16.432 10.060 1.574 294 HB3 TYR 41 2HB TYR 41 17.250 10.222 0.028 295 HD1 TYR 41 HD2 TYR 41 16.335 7.659 2.572 296 HD2 TYR 41 HD1 TYR 41 17.061 8.521 -1.522 297 HE1 TYR 41 HE2 TYR 41 15.647 5.388 1.977 298 HE2 TYR 41 HE1 TYR 41 16.355 6.247 -2.135 299 HH TYR 41 HH TYR 41 14.690 4.203 -0.101 300 H THR 42 H THR 42 20.669 10.750 0.802 301 HA THR 42 HA THR 42 20.169 13.312 2.037 302 HB THR 42 HB THR 42 22.436 12.461 0.205 303 HG1 THR 42 HG1 THR 42 23.045 12.641 2.856 304 HG21 THR 42 3HG2 THR 42 22.189 14.899 0.517 305 HG22 THR 42 1HG2 THR 42 23.658 14.305 1.295 306 HG23 THR 42 2HG2 THR 42 22.236 14.676 2.266 307 H VAL 43 H VAL 43 19.324 14.905 0.983 308 HA VAL 43 HA VAL 43 18.894 14.721 -1.905 309 HB VAL 43 HB VAL 43 16.688 15.761 -1.596 310 HG11 VAL 43 1HG1 VAL 43 15.475 13.889 -0.544 311 HG12 VAL 43 2HG1 VAL 43 17.012 13.259 0.053 312 HG13 VAL 43 3HG1 VAL 43 16.707 13.348 -1.680 313 HG21 VAL 43 3HG2 VAL 43 15.667 15.989 0.641 314 HG22 VAL 43 1HG2 VAL 43 17.099 17.007 0.464 315 HG23 VAL 43 2HG2 VAL 43 17.195 15.501 1.374 316 H LYS 44 H LYS 44 18.553 16.838 -2.852 317 HA LYS 44 HA LYS 44 19.905 18.953 -1.338 318 HB2 LYS 44 1HB LYS 44 21.349 17.881 -3.070 319 HB3 LYS 44 2HB LYS 44 20.193 18.386 -4.290 320 HG2 LYS 44 1HG LYS 44 20.644 20.708 -3.799 321 HG3 LYS 44 2HG LYS 44 21.750 20.267 -2.504 322 HD2 LYS 44 1HD LYS 44 23.065 18.983 -4.249 323 HD3 LYS 44 2HD LYS 44 22.053 19.778 -5.458 324 HE2 LYS 44 1HE LYS 44 24.121 20.999 -5.211 325 HE3 LYS 44 2HE LYS 44 22.790 21.962 -4.581 326 HZ1 LYS 44 3HZ LYS 44 24.858 21.884 -3.192 327 HZ2 LYS 44 1HZ LYS 44 24.516 20.286 -2.823 328 HZ3 LYS 44 2HZ LYS 44 23.459 21.531 -2.351 329 H TYR 45 H TYR 45 18.949 20.867 -1.368 330 HA TYR 45 HA TYR 45 16.452 21.176 -2.834 331 HB2 TYR 45 1HB TYR 45 17.745 22.727 -0.598 332 HB3 TYR 45 2HB TYR 45 16.313 23.307 -1.422 333 HD1 TYR 45 HD2 TYR 45 17.644 20.621 0.742 334 HD2 TYR 45 HD1 TYR 45 14.186 22.406 -0.959 335 HE1 TYR 45 HE2 TYR 45 16.231 19.275 2.238 336 HE2 TYR 45 HE1 TYR 45 12.754 21.082 0.518 337 HH TYR 45 HH TYR 45 12.862 18.973 1.842 338 H LYS 46 H LYS 46 16.056 23.150 -3.955 339 HA LYS 46 HA LYS 46 18.025 23.889 -5.799 340 HB2 LYS 46 1HB LYS 46 15.582 24.093 -6.154 341 HB3 LYS 46 2HB LYS 46 15.532 25.379 -4.974 342 HG2 LYS 46 1HG LYS 46 16.965 26.747 -6.323 343 HG3 LYS 46 2HG LYS 46 17.071 25.479 -7.546 344 HD2 LYS 46 1HD LYS 46 14.592 25.625 -7.822 345 HD3 LYS 46 2HD LYS 46 14.584 26.974 -6.692 346 HE2 LYS 46 1HE LYS 46 14.534 27.764 -9.012 347 HE3 LYS 46 2HE LYS 46 16.007 28.270 -8.198 348 HZ1 LYS 46 3HZ LYS 46 15.809 25.934 -10.032 349 HZ2 LYS 46 1HZ LYS 46 17.208 26.511 -9.297 350 HZ3 LYS 46 2HZ LYS 46 16.417 27.445 -10.447 351 H ASP 47 H ASP 47 17.274 25.026 -2.678 352 HA ASP 47 HA ASP 47 18.567 27.587 -2.841 353 HB2 ASP 47 1HB ASP 47 16.669 27.075 -1.299 354 HB3 ASP 47 2HB ASP 47 17.731 26.015 -0.386 355 H GLY 48 H GLY 48 19.805 24.540 -2.833 356 HA2 GLY 48 1HA GLY 48 22.136 24.201 -3.028 357 HA3 GLY 48 2HA GLY 48 22.403 25.545 -1.927 358 H THR 49 H THR 49 20.588 24.804 0.044 359 HA THR 49 HA THR 49 22.053 23.270 1.776 360 HB THR 49 HB THR 49 19.060 23.610 1.767 361 HG1 THR 49 HG1 THR 49 21.204 25.333 2.455 362 HG21 THR 49 3HG2 THR 49 19.922 22.092 3.511 363 HG22 THR 49 1HG2 THR 49 19.340 23.600 4.223 364 HG23 THR 49 2HG2 THR 49 21.069 23.330 4.021 365 H GLU 50 H GLU 50 22.177 21.132 2.248 366 HA GLU 50 HA GLU 50 20.534 19.308 0.659 367 HB2 GLU 50 1HB GLU 50 23.283 18.894 1.849 368 HB3 GLU 50 2HB GLU 50 22.418 17.771 0.799 369 HG2 GLU 50 1HG GLU 50 22.522 19.265 -1.024 370 HG3 GLU 50 2HG GLU 50 23.187 20.553 -0.025 371 H LEU 51 H LEU 51 19.801 17.480 1.793 372 HA LEU 51 HA LEU 51 19.848 17.688 4.724 373 HB2 LEU 51 1HB LEU 51 17.917 18.899 3.799 374 HB3 LEU 51 2HB LEU 51 17.418 17.438 2.974 375 HG LEU 51 HG LEU 51 17.189 16.382 5.255 376 HD11 LEU 51 1HD1 LEU 51 16.905 17.901 7.147 377 HD12 LEU 51 2HD1 LEU 51 17.401 19.253 6.134 378 HD13 LEU 51 3HD1 LEU 51 18.551 17.968 6.512 379 HD21 LEU 51 3HD2 LEU 51 15.304 17.118 3.905 380 HD22 LEU 51 1HD2 LEU 51 15.455 18.745 4.571 381 HD23 LEU 51 2HD2 LEU 51 15.018 17.395 5.622 382 H ALA 52 H ALA 52 19.759 15.592 5.688 383 HA ALA 52 HA ALA 52 19.223 13.404 3.792 384 HB1 ALA 52 1HB ALA 52 20.330 11.941 5.440 385 HB2 ALA 52 2HB ALA 52 20.598 13.337 6.488 386 HB3 ALA 52 3HB ALA 52 21.398 13.246 4.922 387 H LEU 53 H LEU 53 17.478 12.222 4.080 388 HA LEU 53 HA LEU 53 16.096 12.232 6.611 389 HB2 LEU 53 1HB LEU 53 13.873 12.505 5.239 390 HB3 LEU 53 2HB LEU 53 14.759 13.895 5.816 391 HG LEU 53 HG LEU 53 15.673 14.278 3.566 392 HD11 LEU 53 1HD1 LEU 53 14.866 13.058 1.696 393 HD12 LEU 53 2HD1 LEU 53 14.025 11.952 2.777 394 HD13 LEU 53 3HD1 LEU 53 15.807 12.017 2.782 395 HD21 LEU 53 3HD2 LEU 53 13.595 14.769 2.394 396 HD22 LEU 53 1HD2 LEU 53 13.547 15.313 4.092 397 HD23 LEU 53 2HD2 LEU 53 12.744 13.808 3.596 398 H LYS 54 H LYS 54 14.106 10.678 6.478 399 HA LYS 54 HA LYS 54 15.129 8.151 5.583 400 HB2 LYS 54 1HB LYS 54 13.971 8.535 7.766 401 HB3 LYS 54 2HB LYS 54 12.500 8.878 6.875 402 HG2 LYS 54 1HG LYS 54 12.513 6.655 6.002 403 HG3 LYS 54 2HG LYS 54 14.025 6.324 6.858 404 HD2 LYS 54 1HD LYS 54 12.910 6.725 8.995 405 HD3 LYS 54 2HD LYS 54 11.399 7.068 8.147 406 HE2 LYS 54 1HE LYS 54 11.378 4.812 7.252 407 HE3 LYS 54 2HE LYS 54 12.896 4.456 8.067 408 HZ1 LYS 54 3HZ LYS 54 11.806 4.746 10.178 409 HZ2 LYS 54 1HZ LYS 54 10.992 3.610 9.254 410 HZ3 LYS 54 2HZ LYS 54 10.350 5.156 9.431 411 H GLU 55 H GLU 55 13.922 6.733 4.152 412 HA GLU 55 HA GLU 55 12.919 7.777 1.745 413 HB2 GLU 55 1HB GLU 55 13.804 5.533 1.986 414 HB3 GLU 55 2HB GLU 55 12.512 5.102 3.079 415 HG2 GLU 55 1HG GLU 55 10.922 5.239 1.251 416 HG3 GLU 55 2HG GLU 55 12.209 5.749 0.160 417 H SER 56 H SER 56 11.356 6.933 4.721 418 HA SER 56 HA SER 56 8.709 6.745 3.701 419 HB2 SER 56 1HB SER 56 9.598 7.130 6.540 420 HB3 SER 56 2HB SER 56 8.167 6.278 5.945 421 HG SER 56 HG SER 56 9.762 4.861 4.827 422 H ASP 57 H ASP 57 10.762 9.317 4.393 423 HA ASP 57 HA ASP 57 8.601 11.137 5.182 424 HB2 ASP 57 1HB ASP 57 11.035 10.768 6.316 425 HB3 ASP 57 2HB ASP 57 11.457 11.982 5.119 426 H ILE 58 H ILE 58 9.838 9.873 2.491 427 HA ILE 58 HA ILE 58 9.935 12.377 0.968 428 HB ILE 58 HB ILE 58 10.984 9.626 0.205 429 HG12 ILE 58 1HG1 ILE 58 12.452 12.098 1.086 430 HG13 ILE 58 2HG1 ILE 58 12.282 10.606 1.999 431 HG21 ILE 58 1HG2 ILE 58 10.332 10.958 -1.746 432 HG22 ILE 58 2HG2 ILE 58 12.085 10.782 -1.663 433 HG23 ILE 58 3HG2 ILE 58 11.325 12.297 -1.172 434 HD11 ILE 58 3HD1 ILE 58 13.710 10.912 -0.621 435 HD12 ILE 58 1HD1 ILE 58 13.609 9.421 0.337 436 HD13 ILE 58 2HD1 ILE 58 14.443 10.859 0.975 437 H ARG 59 H ARG 59 8.744 12.466 -0.905 438 HA ARG 59 HA ARG 59 6.701 10.406 -1.333 439 HB2 ARG 59 1HB ARG 59 5.726 12.254 -0.038 440 HB3 ARG 59 2HB ARG 59 6.309 13.408 -1.216 441 HG2 ARG 59 1HG ARG 59 4.762 12.591 -2.858 442 HG3 ARG 59 2HG ARG 59 4.278 11.265 -1.796 443 HD2 ARG 59 1HD ARG 59 3.924 14.197 -1.193 444 HD3 ARG 59 2HD ARG 59 2.653 13.117 -1.775 445 HE ARG 59 HE ARG 59 3.606 11.860 0.428 446 HH11 ARG 59 1HH1 ARG 59 2.316 15.116 -0.084 447 HH12 ARG 59 2HH1 ARG 59 1.690 15.259 1.487 448 HH21 ARG 59 1HH2 ARG 59 2.805 12.074 2.571 449 HH22 ARG 59 2HH2 ARG 59 1.975 13.487 3.048 450 H LEU 60 H LEU 60 5.896 10.433 -3.531 451 HA LEU 60 HA LEU 60 7.804 10.783 -5.567 452 HB2 LEU 60 1HB LEU 60 4.789 10.628 -5.774 453 HB3 LEU 60 2HB LEU 60 5.911 10.377 -7.091 454 HG LEU 60 HG LEU 60 5.760 8.605 -4.646 455 HD11 LEU 60 1HD1 LEU 60 4.603 8.203 -7.401 456 HD12 LEU 60 2HD1 LEU 60 3.694 8.467 -5.916 457 HD13 LEU 60 3HD1 LEU 60 4.647 6.997 -6.114 458 HD21 LEU 60 3HD2 LEU 60 7.124 8.224 -7.311 459 HD22 LEU 60 1HD2 LEU 60 7.098 7.071 -5.982 460 HD23 LEU 60 2HD2 LEU 60 7.938 8.612 -5.799 461 H GLN 61 H GLN 61 7.501 12.268 -7.507 462 HA GLN 61 HA GLN 61 7.709 14.949 -6.935 463 HB2 GLN 61 1HB GLN 61 6.786 13.676 -9.486 464 HB3 GLN 61 2HB GLN 61 7.003 15.403 -9.325 465 HG2 GLN 61 1HG GLN 61 9.378 14.969 -8.730 466 HG3 GLN 61 2HG GLN 61 9.097 13.268 -9.110 467 HE21 GLN 61 2HE2 GLN 61 9.294 16.497 -10.416 468 HE22 GLN 61 1HE2 GLN 61 9.382 16.023 -12.066 469 H SER 62 H SER 62 4.786 13.235 -7.559 470 HA SER 62 HA SER 62 3.324 15.548 -6.591 471 HB2 SER 62 1HB SER 62 2.618 14.093 -9.150 472 HB3 SER 62 2HB SER 62 1.652 15.364 -8.399 473 HG SER 62 HG SER 62 4.034 16.299 -8.511 474 H SER 63 H SER 63 3.425 12.073 -7.328 475 HA SER 63 HA SER 63 2.351 10.271 -6.476 476 HB2 SER 63 1HB SER 63 3.207 11.265 -4.305 477 HB3 SER 63 2HB SER 63 1.696 12.150 -4.160 478 HG SER 63 HG SER 63 1.010 10.503 -3.197 479 H PHE 64 H PHE 64 1.176 11.864 -8.276 480 HA PHE 64 HA PHE 64 -1.346 12.952 -7.649 481 HB2 PHE 64 1HB PHE 64 0.220 13.703 -9.444 482 HB3 PHE 64 2HB PHE 64 -0.173 12.246 -10.338 483 HD1 PHE 64 HD1 PHE 64 -1.619 15.312 -8.891 484 HD2 PHE 64 HD2 PHE 64 -2.023 12.216 -11.771 485 HE1 PHE 64 HE1 PHE 64 -3.486 16.523 -9.915 486 HE2 PHE 64 HE2 PHE 64 -3.898 13.421 -12.803 487 HZ PHE 64 HZ PHE 64 -4.627 15.584 -11.869 488 H LYS 65 H LYS 65 -3.350 12.163 -7.988 489 HA LYS 65 HA LYS 65 -3.644 9.333 -8.153 490 HB2 LYS 65 1HB LYS 65 -5.079 10.755 -6.662 491 HB3 LYS 65 2HB LYS 65 -5.760 11.522 -8.081 492 HG2 LYS 65 1HG LYS 65 -6.043 8.566 -7.490 493 HG3 LYS 65 2HG LYS 65 -7.212 9.776 -6.977 494 HD2 LYS 65 1HD LYS 65 -7.667 10.362 -9.282 495 HD3 LYS 65 2HD LYS 65 -6.395 9.280 -9.841 496 HE2 LYS 65 1HE LYS 65 -7.693 7.391 -8.842 497 HE3 LYS 65 2HE LYS 65 -8.980 8.554 -8.507 498 HZ1 LYS 65 3HZ LYS 65 -9.372 7.380 -10.575 499 HZ2 LYS 65 1HZ LYS 65 -7.895 7.939 -11.201 500 HZ3 LYS 65 2HZ LYS 65 -9.142 9.026 -10.848 501 H GLN 66 H GLN 66 -3.676 8.297 -9.997 502 HA GLN 66 HA GLN 66 -4.847 9.623 -12.298 503 HB2 GLN 66 1HB GLN 66 -3.275 8.158 -13.694 504 HB3 GLN 66 2HB GLN 66 -2.536 9.497 -12.840 505 HG2 GLN 66 1HG GLN 66 -1.708 7.986 -11.132 506 HG3 GLN 66 2HG GLN 66 -2.526 6.634 -11.905 507 HE21 GLN 66 2HE2 GLN 66 -1.821 7.513 -14.578 508 HE22 GLN 66 1HE2 GLN 66 -0.151 7.185 -14.794 Start of MODEL 9 1 H1 GLY 1 H GLY 1 7.073 -1.171 -18.603 2 HA2 GLY 1 2HA GLY 1 7.360 1.752 -18.759 3 HA3 GLY 1 1HA GLY 1 5.906 0.869 -18.288 4 H ALA 2 H ALA 2 6.732 2.570 -16.473 5 HA ALA 2 HA ALA 2 8.354 1.021 -14.608 6 HB1 ALA 2 1HB ALA 2 8.915 3.127 -13.518 7 HB2 ALA 2 2HB ALA 2 7.912 4.003 -14.676 8 HB3 ALA 2 3HB ALA 2 9.365 3.160 -15.222 9 H MET 3 H MET 3 6.980 -0.079 -13.461 10 HA MET 3 HA MET 3 4.641 1.280 -12.325 11 HB2 MET 3 1HB MET 3 3.811 -0.971 -11.732 12 HB3 MET 3 2HB MET 3 4.091 -0.792 -13.455 13 HG2 MET 3 1HG MET 3 6.202 -2.007 -13.236 14 HG3 MET 3 2HG MET 3 5.919 -2.188 -11.505 15 HE1 MET 3 3HE MET 3 6.584 -4.574 -13.545 16 HE2 MET 3 1HE MET 3 5.459 -5.808 -12.975 17 HE3 MET 3 2HE MET 3 6.341 -4.812 -11.817 18 H GLY 4 H GLY 4 7.716 -0.079 -11.549 19 HA2 GLY 4 1HA GLY 4 7.660 1.018 -8.941 20 HA3 GLY 4 2HA GLY 4 7.505 -0.737 -8.922 21 H MET 5 H MET 5 9.596 -0.521 -7.793 22 HA MET 5 HA MET 5 11.658 -1.321 -9.502 23 HB2 MET 5 1HB MET 5 11.924 1.105 -9.892 24 HB3 MET 5 2HB MET 5 12.056 1.363 -8.155 25 HG2 MET 5 1HG MET 5 14.097 -0.002 -8.114 26 HG3 MET 5 2HG MET 5 13.976 -0.225 -9.854 27 HE1 MET 5 3HE MET 5 14.608 3.395 -11.198 28 HE2 MET 5 1HE MET 5 13.038 2.679 -10.836 29 HE3 MET 5 2HE MET 5 14.288 1.713 -11.616 30 HA PRO 6 HA PRO 6 12.015 -3.241 -5.473 31 HB2 PRO 6 1HB PRO 6 14.273 -4.631 -6.781 32 HB3 PRO 6 2HB PRO 6 12.850 -5.308 -5.986 33 HG2 PRO 6 1HG PRO 6 13.104 -5.374 -8.643 34 HG3 PRO 6 2HG PRO 6 11.531 -5.105 -7.874 35 HD2 PRO 6 1HD PRO 6 13.373 -3.135 -9.160 36 HD3 PRO 6 2HD PRO 6 11.599 -3.259 -9.226 37 H ASN 7 H ASN 7 13.566 -3.341 -3.841 38 HA ASN 7 HA ASN 7 15.270 -2.738 -2.536 39 HB2 ASN 7 1HB ASN 7 16.687 -1.932 -5.102 40 HB3 ASN 7 2HB ASN 7 17.433 -1.811 -3.515 41 HD21 ASN 7 2HD2 ASN 7 18.107 -3.667 -2.514 42 HD22 ASN 7 1HD2 ASN 7 18.219 -5.188 -3.320 43 H ARG 8 H ARG 8 15.980 -0.133 -4.751 44 HA ARG 8 HA ARG 8 14.374 1.708 -3.171 45 HB2 ARG 8 1HB ARG 8 17.306 2.103 -3.849 46 HB3 ARG 8 2HB ARG 8 16.244 3.409 -3.376 47 HG2 ARG 8 1HG ARG 8 17.494 2.887 -1.459 48 HG3 ARG 8 2HG ARG 8 15.917 2.160 -1.197 49 HD2 ARG 8 1HD ARG 8 17.764 0.714 -0.487 50 HD3 ARG 8 2HD ARG 8 16.793 -0.023 -1.763 51 HE ARG 8 HE ARG 8 18.690 1.030 -3.226 52 HH11 ARG 8 1HH1 ARG 8 19.268 -0.484 -0.048 53 HH12 ARG 8 2HH1 ARG 8 20.699 -1.236 -0.533 54 HH21 ARG 8 1HH2 ARG 8 20.655 0.029 -3.855 55 HH22 ARG 8 2HH2 ARG 8 21.544 -0.925 -2.774 56 H LYS 9 H LYS 9 13.177 2.860 -4.536 57 HA LYS 9 HA LYS 9 13.733 2.806 -7.363 58 HB2 LYS 9 1HB LYS 9 11.388 2.746 -6.438 59 HB3 LYS 9 2HB LYS 9 11.627 4.385 -5.850 60 HG2 LYS 9 1HG LYS 9 12.099 5.066 -8.216 61 HG3 LYS 9 2HG LYS 9 11.569 3.468 -8.714 62 HD2 LYS 9 1HD LYS 9 9.385 3.920 -7.626 63 HD3 LYS 9 2HD LYS 9 9.940 5.565 -7.294 64 HE2 LYS 9 1HE LYS 9 10.388 5.769 -9.786 65 HE3 LYS 9 2HE LYS 9 9.507 4.259 -9.969 66 HZ1 LYS 9 3HZ LYS 9 7.589 5.401 -8.847 67 HZ2 LYS 9 1HZ LYS 9 8.036 6.079 -10.345 68 HZ3 LYS 9 2HZ LYS 9 8.511 6.822 -8.945 69 H TYR 10 H TYR 10 14.116 4.845 -4.632 70 HA TYR 10 HA TYR 10 14.653 7.194 -6.219 71 HB2 TYR 10 1HB TYR 10 14.971 7.010 -3.235 72 HB3 TYR 10 2HB TYR 10 14.642 8.426 -4.225 73 HD1 TYR 10 HD1 TYR 10 12.370 7.748 -5.824 74 HD2 TYR 10 HD2 TYR 10 13.208 6.617 -1.817 75 HE1 TYR 10 HE1 TYR 10 9.966 7.440 -5.420 76 HE2 TYR 10 HE2 TYR 10 10.815 6.309 -1.389 77 HH TYR 10 HH TYR 10 8.733 6.992 -2.230 78 H ALA 11 H ALA 11 16.362 6.134 -7.213 79 HA ALA 11 HA ALA 11 18.849 5.794 -5.742 80 HB1 ALA 11 1HB ALA 11 18.216 5.690 -8.684 81 HB2 ALA 11 2HB ALA 11 18.378 4.299 -7.606 82 HB3 ALA 11 3HB ALA 11 19.783 5.314 -7.975 83 H ASP 12 H ASP 12 20.685 7.131 -6.166 84 HA ASP 12 HA ASP 12 20.253 9.819 -5.931 85 HB2 ASP 12 1HB ASP 12 22.593 10.199 -6.203 86 HB3 ASP 12 2HB ASP 12 22.424 8.636 -5.436 87 H GLY 13 H GLY 13 19.715 11.431 -7.183 88 HA2 GLY 13 1HA GLY 13 19.897 12.623 -9.272 89 HA3 GLY 13 2HA GLY 13 19.917 11.065 -10.089 90 H GLU 14 H GLU 14 17.651 10.395 -7.916 91 HA GLU 14 HA GLU 14 15.539 10.905 -9.791 92 HB2 GLU 14 1HB GLU 14 15.578 8.791 -8.598 93 HB3 GLU 14 2HB GLU 14 15.591 9.613 -7.052 94 HG2 GLU 14 1HG GLU 14 13.401 8.713 -7.466 95 HG3 GLU 14 2HG GLU 14 13.339 10.472 -7.522 96 H VAL 15 H VAL 15 13.914 12.408 -9.581 97 HA VAL 15 HA VAL 15 14.346 14.347 -7.448 98 HB VAL 15 HB VAL 15 14.311 15.326 -9.690 99 HG11 VAL 15 1HG1 VAL 15 12.328 15.293 -11.123 100 HG12 VAL 15 2HG1 VAL 15 11.566 14.150 -10.013 101 HG13 VAL 15 3HG1 VAL 15 13.037 13.697 -10.882 102 HG21 VAL 15 3HG2 VAL 15 13.408 16.718 -7.927 103 HG22 VAL 15 1HG2 VAL 15 11.805 16.023 -8.163 104 HG23 VAL 15 2HG2 VAL 15 12.529 17.015 -9.426 105 H VAL 16 H VAL 16 12.954 14.530 -5.843 106 HA VAL 16 HA VAL 16 10.391 13.182 -6.004 107 HB VAL 16 HB VAL 16 10.777 12.289 -3.622 108 HG11 VAL 16 1HG1 VAL 16 10.615 10.820 -5.559 109 HG12 VAL 16 2HG1 VAL 16 11.850 10.232 -4.442 110 HG13 VAL 16 3HG1 VAL 16 12.322 11.087 -5.910 111 HG21 VAL 16 3HG2 VAL 16 13.667 12.659 -4.444 112 HG22 VAL 16 1HG2 VAL 16 13.108 11.761 -3.036 113 HG23 VAL 16 2HG2 VAL 16 12.844 13.501 -3.125 114 H MET 17 H MET 17 9.236 13.598 -3.737 115 HA MET 17 HA MET 17 9.746 16.389 -3.051 116 HB2 MET 17 1HB MET 17 7.214 14.762 -2.717 117 HB3 MET 17 2HB MET 17 7.440 16.415 -2.168 118 HG2 MET 17 1HG MET 17 7.789 17.102 -4.513 119 HG3 MET 17 2HG MET 17 7.444 15.449 -5.017 120 HE1 MET 17 3HE MET 17 6.108 18.683 -3.373 121 HE2 MET 17 1HE MET 17 5.702 17.535 -2.105 122 HE3 MET 17 2HE MET 17 4.417 18.319 -3.027 123 H GLY 18 H GLY 18 10.265 16.790 -0.974 124 HA2 GLY 18 1HA GLY 18 10.116 14.503 0.860 125 HA3 GLY 18 2HA GLY 18 11.633 15.223 0.578 126 H ARG 19 H ARG 19 9.909 14.980 2.876 127 HA ARG 19 HA ARG 19 8.898 17.526 3.718 128 HB2 ARG 19 1HB ARG 19 7.883 15.549 4.581 129 HB3 ARG 19 2HB ARG 19 9.425 14.911 5.115 130 HG2 ARG 19 1HG ARG 19 9.531 16.869 6.713 131 HG3 ARG 19 2HG ARG 19 7.846 17.178 6.299 132 HD2 ARG 19 1HD ARG 19 7.149 15.099 7.157 133 HD3 ARG 19 2HD ARG 19 8.798 14.487 7.244 134 HE ARG 19 HE ARG 19 7.584 16.479 9.021 135 HH11 ARG 19 1HH1 ARG 19 10.153 14.097 8.361 136 HH12 ARG 19 2HH1 ARG 19 10.836 14.204 9.915 137 HH21 ARG 19 1HH2 ARG 19 8.593 16.600 11.201 138 HH22 ARG 19 2HH2 ARG 19 9.934 15.608 11.536 139 H TRP 20 H TRP 20 9.996 19.085 4.685 140 HA TRP 20 HA TRP 20 12.735 18.591 5.486 141 HB2 TRP 20 1HB TRP 20 12.046 20.763 4.409 142 HB3 TRP 20 2HB TRP 20 11.122 21.137 5.863 143 HD1 TRP 20 HD1 TRP 20 12.742 21.350 8.199 144 HE1 TRP 20 HE1 TRP 20 15.101 22.355 8.401 145 HE3 TRP 20 HE3 TRP 20 14.081 21.162 3.334 146 HZ2 TRP 20 HZ2 TRP 20 17.250 22.993 6.690 147 HZ3 TRP 20 HZ3 TRP 20 16.294 22.002 2.651 148 HH2 TRP 20 HH2 TRP 20 17.840 22.893 4.245 149 HA PRO 21 HA PRO 21 11.310 17.176 9.429 150 HB2 PRO 21 1HB PRO 21 13.727 17.464 10.747 151 HB3 PRO 21 2HB PRO 21 13.266 16.059 9.784 152 HG2 PRO 21 1HG PRO 21 14.982 18.394 9.020 153 HG3 PRO 21 2HG PRO 21 15.154 16.686 8.584 154 HD2 PRO 21 1HD PRO 21 14.181 18.549 6.929 155 HD3 PRO 21 2HD PRO 21 13.608 16.878 6.844 156 H GLY 22 H GLY 22 9.968 18.584 10.341 157 HA2 GLY 22 1HA GLY 22 9.724 19.903 12.330 158 HA3 GLY 22 2HA GLY 22 11.154 20.804 11.847 159 H SER 23 H SER 23 10.239 20.886 9.019 160 HA SER 23 HA SER 23 8.592 23.243 9.384 161 HB2 SER 23 1HB SER 23 9.842 22.160 6.873 162 HB3 SER 23 2HB SER 23 9.172 23.772 7.102 163 HG SER 23 HG SER 23 10.728 24.102 8.744 164 H VAL 24 H VAL 24 8.152 20.011 8.637 165 HA VAL 24 HA VAL 24 6.301 18.748 8.390 166 HB VAL 24 HB VAL 24 4.747 21.360 8.237 167 HG11 VAL 24 1HG1 VAL 24 3.505 19.564 7.235 168 HG12 VAL 24 2HG1 VAL 24 2.783 20.007 8.792 169 HG13 VAL 24 3HG1 VAL 24 3.792 18.557 8.655 170 HG21 VAL 24 3HG2 VAL 24 5.160 19.498 10.581 171 HG22 VAL 24 1HG2 VAL 24 4.137 20.932 10.572 172 HG23 VAL 24 2HG2 VAL 24 5.884 21.095 10.386 173 H LEU 25 H LEU 25 6.767 21.331 6.201 174 HA LEU 25 HA LEU 25 5.119 20.490 4.089 175 HB2 LEU 25 1HB LEU 25 7.500 22.218 4.019 176 HB3 LEU 25 2HB LEU 25 6.254 22.069 2.798 177 HG LEU 25 HG LEU 25 6.061 23.244 5.529 178 HD11 LEU 25 1HD1 LEU 25 6.866 24.609 3.671 179 HD12 LEU 25 2HD1 LEU 25 5.193 25.113 4.104 180 HD13 LEU 25 3HD1 LEU 25 5.497 23.980 2.754 181 HD21 LEU 25 3HD2 LEU 25 3.824 22.619 3.623 182 HD22 LEU 25 1HD2 LEU 25 3.679 23.591 5.091 183 HD23 LEU 25 2HD2 LEU 25 4.082 21.874 5.212 184 H TYR 26 H TYR 26 5.567 19.608 2.220 185 HA TYR 26 HA TYR 26 8.082 18.136 1.886 186 HB2 TYR 26 1HB TYR 26 5.289 17.640 0.821 187 HB3 TYR 26 2HB TYR 26 6.704 16.873 0.131 188 HD1 TYR 26 HD2 TYR 26 4.997 17.284 3.456 189 HD2 TYR 26 HD1 TYR 26 7.309 14.809 0.897 190 HE1 TYR 26 HE2 TYR 26 4.818 15.441 5.079 191 HE2 TYR 26 HE1 TYR 26 7.149 12.980 2.491 192 HH TYR 26 HH TYR 26 6.705 12.568 4.839 193 H TYR 27 H TYR 27 9.385 19.085 0.549 194 HA TYR 27 HA TYR 27 8.275 20.934 -1.475 195 HB2 TYR 27 1HB TYR 27 11.105 20.758 -0.492 196 HB3 TYR 27 2HB TYR 27 10.409 22.039 -1.462 197 HD1 TYR 27 HD2 TYR 27 8.762 23.638 -0.384 198 HD2 TYR 27 HD1 TYR 27 11.004 20.821 1.885 199 HE1 TYR 27 HE2 TYR 27 8.325 24.931 1.678 200 HE2 TYR 27 HE1 TYR 27 10.580 22.120 3.922 201 HH TYR 27 HH TYR 27 10.075 24.458 4.489 202 H GLU 28 H GLU 28 9.837 20.997 -3.420 203 HA GLU 28 HA GLU 28 10.176 18.253 -4.294 204 HB2 GLU 28 1HB GLU 28 9.149 19.850 -5.875 205 HB3 GLU 28 2HB GLU 28 10.593 20.850 -5.817 206 HG2 GLU 28 1HG GLU 28 11.892 19.097 -6.867 207 HG3 GLU 28 2HG GLU 28 10.501 18.021 -6.837 208 H VAL 29 H VAL 29 12.080 17.232 -4.354 209 HA VAL 29 HA VAL 29 14.565 18.743 -3.888 210 HB VAL 29 HB VAL 29 15.260 17.127 -2.189 211 HG11 VAL 29 1HG1 VAL 29 12.554 18.253 -1.579 212 HG12 VAL 29 2HG1 VAL 29 14.105 19.081 -1.402 213 HG13 VAL 29 3HG1 VAL 29 13.723 17.685 -0.393 214 HG21 VAL 29 3HG2 VAL 29 14.060 15.168 -2.973 215 HG22 VAL 29 1HG2 VAL 29 12.524 15.897 -2.503 216 HG23 VAL 29 2HG2 VAL 29 13.707 15.466 -1.267 217 H GLN 30 H GLN 30 16.497 17.355 -4.437 218 HA GLN 30 HA GLN 30 15.634 15.048 -6.025 219 HB2 GLN 30 1HB GLN 30 16.358 16.958 -7.482 220 HB3 GLN 30 2HB GLN 30 17.945 16.855 -6.740 221 HG2 GLN 30 1HG GLN 30 18.243 14.602 -7.642 222 HG3 GLN 30 2HG GLN 30 16.618 14.651 -8.303 223 HE21 GLN 30 2HE2 GLN 30 17.388 14.320 -10.387 224 HE22 GLN 30 1HE2 GLN 30 18.151 15.596 -11.265 225 H VAL 31 H VAL 31 16.654 13.197 -5.639 226 HA VAL 31 HA VAL 31 18.159 13.149 -3.224 227 HB VAL 31 HB VAL 31 16.523 11.327 -3.796 228 HG11 VAL 31 1HG1 VAL 31 16.765 11.110 -6.019 229 HG12 VAL 31 2HG1 VAL 31 17.135 9.555 -5.266 230 HG13 VAL 31 3HG1 VAL 31 18.436 10.583 -5.885 231 HG21 VAL 31 3HG2 VAL 31 18.206 10.875 -2.086 232 HG22 VAL 31 1HG2 VAL 31 19.332 10.335 -3.329 233 HG23 VAL 31 2HG2 VAL 31 17.856 9.421 -3.024 234 H THR 32 H THR 32 20.150 12.991 -2.829 235 HA THR 32 HA THR 32 21.984 13.294 -5.076 236 HB THR 32 HB THR 32 22.218 14.148 -2.186 237 HG1 THR 32 HG1 THR 32 21.116 15.288 -4.492 238 HG21 THR 32 3HG2 THR 32 23.746 14.994 -4.635 239 HG22 THR 32 1HG2 THR 32 24.393 13.930 -3.374 240 HG23 THR 32 2HG2 THR 32 23.967 15.613 -3.004 241 H SER 33 H SER 33 21.483 11.592 -1.984 242 HA SER 33 HA SER 33 23.223 9.469 -2.828 243 HB2 SER 33 1HB SER 33 23.859 11.057 -0.311 244 HB3 SER 33 2HB SER 33 24.682 9.591 -0.843 245 HG SER 33 HG SER 33 24.774 11.191 -2.874 246 H TYR 34 H TYR 34 23.049 7.655 -1.221 247 HA TYR 34 HA TYR 34 20.833 7.944 0.636 248 HB2 TYR 34 1HB TYR 34 19.626 7.028 -1.178 249 HB3 TYR 34 2HB TYR 34 20.942 5.952 -1.621 250 HD1 TYR 34 HD2 TYR 34 18.698 6.544 1.350 251 HD2 TYR 34 HD1 TYR 34 20.668 3.736 -1.162 252 HE1 TYR 34 HE2 TYR 34 17.678 4.695 2.621 253 HE2 TYR 34 HE1 TYR 34 19.673 1.898 0.104 254 HH TYR 34 HH TYR 34 18.721 1.412 2.160 255 H ASP 35 H ASP 35 21.460 7.292 2.509 256 HA ASP 35 HA ASP 35 23.682 5.404 2.713 257 HB2 ASP 35 1HB ASP 35 23.736 7.432 4.146 258 HB3 ASP 35 2HB ASP 35 22.226 6.912 4.894 259 H ASP 36 H ASP 36 23.337 3.382 3.024 260 HA ASP 36 HA ASP 36 20.576 2.538 3.511 261 HB2 ASP 36 1HB ASP 36 21.685 1.797 1.429 262 HB3 ASP 36 2HB ASP 36 22.905 0.968 2.386 263 H ALA 37 H ALA 37 23.294 3.070 5.197 264 HA ALA 37 HA ALA 37 23.237 0.697 6.818 265 HB1 ALA 37 1HB ALA 37 24.995 1.777 8.107 266 HB2 ALA 37 2HB ALA 37 24.717 3.289 7.242 267 HB3 ALA 37 3HB ALA 37 25.356 1.888 6.383 268 H SER 38 H SER 38 22.587 4.158 7.307 269 HA SER 38 HA SER 38 20.994 3.445 9.670 270 HB2 SER 38 1HB SER 38 21.863 6.149 8.628 271 HB3 SER 38 2HB SER 38 21.077 5.843 10.175 272 HG SER 38 HG SER 38 23.482 4.566 9.457 273 H HIS 39 H HIS 39 20.613 3.791 6.464 274 HA HIS 39 HA HIS 39 18.983 4.086 4.992 275 HB2 HIS 39 1HB HIS 39 17.151 3.501 7.325 276 HB3 HIS 39 2HB HIS 39 16.620 3.617 5.655 277 HD1 HIS 39 HD1 HIS 39 17.581 1.666 4.005 278 HD2 HIS 39 HD2 HIS 39 18.154 1.117 8.088 279 HE1 HIS 39 HE1 HIS 39 18.113 -0.767 4.317 280 H LEU 40 H LEU 40 19.775 6.259 4.903 281 HA LEU 40 HA LEU 40 17.541 8.127 5.274 282 HB2 LEU 40 1HB LEU 40 20.438 8.709 5.912 283 HB3 LEU 40 2HB LEU 40 19.317 9.980 5.502 284 HG LEU 40 HG LEU 40 19.541 10.035 7.818 285 HD11 LEU 40 1HD1 LEU 40 17.281 10.318 7.140 286 HD12 LEU 40 2HD1 LEU 40 17.363 9.537 8.717 287 HD13 LEU 40 3HD1 LEU 40 16.984 8.583 7.285 288 HD21 LEU 40 3HD2 LEU 40 20.585 7.903 8.217 289 HD22 LEU 40 1HD2 LEU 40 19.065 7.065 7.909 290 HD23 LEU 40 2HD2 LEU 40 19.221 8.123 9.313 291 H TYR 41 H TYR 41 17.102 9.370 3.538 292 HA TYR 41 HA TYR 41 18.790 8.932 1.211 293 HB2 TYR 41 1HB TYR 41 15.948 9.946 1.518 294 HB3 TYR 41 2HB TYR 41 16.825 9.978 -0.004 295 HD1 TYR 41 HD2 TYR 41 15.259 7.774 2.530 296 HD2 TYR 41 HD1 TYR 41 17.071 7.993 -1.320 297 HE1 TYR 41 HE2 TYR 41 14.469 5.496 2.024 298 HE2 TYR 41 HE1 TYR 41 16.279 5.712 -1.822 299 HH TYR 41 HH TYR 41 13.984 4.097 0.074 300 H THR 42 H THR 42 20.181 10.511 0.794 301 HA THR 42 HA THR 42 19.757 13.087 2.083 302 HB THR 42 HB THR 42 22.141 12.100 0.501 303 HG1 THR 42 HG1 THR 42 21.173 11.214 2.787 304 HG21 THR 42 3HG2 THR 42 23.351 13.804 1.816 305 HG22 THR 42 1HG2 THR 42 21.851 14.233 2.641 306 HG23 THR 42 2HG2 THR 42 22.027 14.541 0.913 307 H VAL 43 H VAL 43 19.149 14.780 0.900 308 HA VAL 43 HA VAL 43 19.063 14.495 -2.019 309 HB VAL 43 HB VAL 43 16.853 15.570 -2.020 310 HG11 VAL 43 1HG1 VAL 43 15.460 13.820 -0.981 311 HG12 VAL 43 2HG1 VAL 43 16.898 13.169 -0.198 312 HG13 VAL 43 3HG1 VAL 43 16.761 13.144 -1.952 313 HG21 VAL 43 3HG2 VAL 43 17.063 16.932 0.002 314 HG22 VAL 43 1HG2 VAL 43 16.998 15.480 1.000 315 HG23 VAL 43 2HG2 VAL 43 15.588 15.962 0.060 316 H LYS 44 H LYS 44 19.137 16.545 -3.073 317 HA LYS 44 HA LYS 44 20.049 18.652 -1.301 318 HB2 LYS 44 1HB LYS 44 21.691 17.929 -3.078 319 HB3 LYS 44 2HB LYS 44 20.532 18.473 -4.286 320 HG2 LYS 44 1HG LYS 44 20.724 20.741 -3.568 321 HG3 LYS 44 2HG LYS 44 21.667 20.281 -2.160 322 HD2 LYS 44 1HD LYS 44 23.219 21.192 -3.682 323 HD3 LYS 44 2HD LYS 44 23.440 19.455 -3.786 324 HE2 LYS 44 1HE LYS 44 21.798 21.084 -5.732 325 HE3 LYS 44 2HE LYS 44 23.495 20.707 -5.967 326 HZ1 LYS 44 3HZ LYS 44 22.146 19.193 -7.206 327 HZ2 LYS 44 1HZ LYS 44 21.253 18.750 -5.866 328 HZ3 LYS 44 2HZ LYS 44 22.878 18.331 -5.983 329 H TYR 45 H TYR 45 19.005 20.529 -1.253 330 HA TYR 45 HA TYR 45 16.468 20.702 -2.614 331 HB2 TYR 45 1HB TYR 45 17.753 22.093 -0.317 332 HB3 TYR 45 2HB TYR 45 16.467 22.930 -1.155 333 HD1 TYR 45 HD1 TYR 45 17.288 19.818 0.685 334 HD2 TYR 45 HD2 TYR 45 14.243 22.412 -0.732 335 HE1 TYR 45 HE1 TYR 45 15.630 18.600 2.024 336 HE2 TYR 45 HE2 TYR 45 12.580 21.226 0.582 337 HH TYR 45 HH TYR 45 12.287 18.918 1.627 338 H LYS 46 H LYS 46 15.894 22.431 -3.801 339 HA LYS 46 HA LYS 46 17.618 23.590 -5.630 340 HB2 LYS 46 1HB LYS 46 15.176 23.308 -5.849 341 HB3 LYS 46 2HB LYS 46 14.939 24.559 -4.644 342 HG2 LYS 46 1HG LYS 46 16.087 26.125 -6.120 343 HG3 LYS 46 2HG LYS 46 16.179 24.861 -7.348 344 HD2 LYS 46 1HD LYS 46 13.732 24.677 -7.343 345 HD3 LYS 46 2HD LYS 46 13.646 25.955 -6.129 346 HE2 LYS 46 1HE LYS 46 14.751 27.478 -7.712 347 HE3 LYS 46 2HE LYS 46 14.737 26.178 -8.908 348 HZ1 LYS 46 3HZ LYS 46 12.322 26.203 -8.858 349 HZ2 LYS 46 1HZ LYS 46 12.903 27.745 -9.201 350 HZ3 LYS 46 2HZ LYS 46 12.346 27.396 -7.663 351 H ASP 47 H ASP 47 16.851 24.432 -2.411 352 HA ASP 47 HA ASP 47 17.605 27.197 -2.489 353 HB2 ASP 47 1HB ASP 47 15.970 26.154 -0.870 354 HB3 ASP 47 2HB ASP 47 17.335 25.391 -0.079 355 H GLY 48 H GLY 48 19.391 24.444 -2.746 356 HA2 GLY 48 1HA GLY 48 21.739 24.560 -3.102 357 HA3 GLY 48 2HA GLY 48 21.823 25.852 -1.914 358 H THR 49 H THR 49 20.364 24.668 0.104 359 HA THR 49 HA THR 49 22.357 23.130 1.391 360 HB THR 49 HB THR 49 19.487 23.649 2.162 361 HG1 THR 49 HG1 THR 49 21.828 25.186 2.184 362 HG21 THR 49 3HG2 THR 49 21.931 23.018 3.857 363 HG22 THR 49 1HG2 THR 49 20.572 21.930 3.564 364 HG23 THR 49 2HG2 THR 49 20.325 23.410 4.477 365 H GLU 50 H GLU 50 22.548 20.941 1.596 366 HA GLU 50 HA GLU 50 20.438 19.318 0.479 367 HB2 GLU 50 1HB GLU 50 22.021 17.416 0.689 368 HB3 GLU 50 2HB GLU 50 22.632 18.709 -0.323 369 HG2 GLU 50 1HG GLU 50 23.388 18.472 2.556 370 HG3 GLU 50 2HG GLU 50 24.216 17.561 1.294 371 H LEU 51 H LEU 51 19.662 17.491 1.614 372 HA LEU 51 HA LEU 51 19.691 17.759 4.537 373 HB2 LEU 51 1HB LEU 51 17.803 19.030 3.610 374 HB3 LEU 51 2HB LEU 51 17.283 17.591 2.757 375 HG LEU 51 HG LEU 51 17.010 16.502 5.018 376 HD11 LEU 51 1HD1 LEU 51 17.293 19.345 5.946 377 HD12 LEU 51 2HD1 LEU 51 18.342 17.988 6.345 378 HD13 LEU 51 3HD1 LEU 51 16.674 18.010 6.919 379 HD21 LEU 51 3HD2 LEU 51 14.834 17.484 5.351 380 HD22 LEU 51 1HD2 LEU 51 15.161 17.268 3.639 381 HD23 LEU 51 2HD2 LEU 51 15.279 18.877 4.364 382 H ALA 52 H ALA 52 19.309 15.719 5.567 383 HA ALA 52 HA ALA 52 18.912 13.463 3.742 384 HB1 ALA 52 1HB ALA 52 19.873 12.069 5.539 385 HB2 ALA 52 2HB ALA 52 20.117 13.512 6.523 386 HB3 ALA 52 3HB ALA 52 21.011 13.308 5.016 387 H LEU 53 H LEU 53 17.137 12.298 4.012 388 HA LEU 53 HA LEU 53 15.550 12.687 6.381 389 HB2 LEU 53 1HB LEU 53 13.504 12.930 4.842 390 HB3 LEU 53 2HB LEU 53 14.498 14.323 5.170 391 HG LEU 53 HG LEU 53 15.526 14.161 2.941 392 HD11 LEU 53 1HD1 LEU 53 14.753 12.640 1.315 393 HD12 LEU 53 2HD1 LEU 53 13.681 11.892 2.504 394 HD13 LEU 53 3HD1 LEU 53 15.461 11.795 2.707 395 HD21 LEU 53 3HD2 LEU 53 13.532 14.535 1.575 396 HD22 LEU 53 1HD2 LEU 53 13.495 15.462 3.101 397 HD23 LEU 53 2HD2 LEU 53 12.572 13.957 2.929 398 H LYS 54 H LYS 54 13.591 11.214 6.320 399 HA LYS 54 HA LYS 54 14.616 8.577 5.665 400 HB2 LYS 54 1HB LYS 54 12.164 9.384 7.233 401 HB3 LYS 54 2HB LYS 54 12.691 7.725 6.975 402 HG2 LYS 54 1HG LYS 54 14.821 8.287 8.117 403 HG3 LYS 54 2HG LYS 54 14.162 9.885 8.464 404 HD2 LYS 54 1HD LYS 54 12.341 8.860 9.718 405 HD3 LYS 54 2HD LYS 54 12.991 7.257 9.358 406 HE2 LYS 54 1HE LYS 54 15.096 7.921 10.516 407 HE3 LYS 54 2HE LYS 54 14.321 9.438 10.963 408 HZ1 LYS 54 3HZ LYS 54 12.634 8.144 12.152 409 HZ2 LYS 54 1HZ LYS 54 14.180 7.880 12.760 410 HZ3 LYS 54 2HZ LYS 54 13.457 6.721 11.777 411 H GLU 55 H GLU 55 13.035 6.956 4.755 412 HA GLU 55 HA GLU 55 11.981 7.758 2.277 413 HB2 GLU 55 1HB GLU 55 10.811 5.564 2.268 414 HB3 GLU 55 2HB GLU 55 12.510 5.426 2.678 415 HG2 GLU 55 1HG GLU 55 11.998 5.120 4.990 416 HG3 GLU 55 2HG GLU 55 10.301 5.500 4.710 417 H SER 56 H SER 56 10.593 7.620 5.464 418 HA SER 56 HA SER 56 7.884 7.913 4.853 419 HB2 SER 56 1HB SER 56 9.351 8.842 7.313 420 HB3 SER 56 2HB SER 56 7.674 8.297 7.182 421 HG SER 56 HG SER 56 8.562 6.490 7.786 422 H ASP 57 H ASP 57 10.488 10.065 4.551 423 HA ASP 57 HA ASP 57 8.817 12.430 4.863 424 HB2 ASP 57 1HB ASP 57 11.776 12.092 4.490 425 HB3 ASP 57 2HB ASP 57 10.986 13.661 4.586 426 H ILE 58 H ILE 58 9.409 10.224 2.571 427 HA ILE 58 HA ILE 58 9.722 12.261 0.509 428 HB ILE 58 HB ILE 58 10.528 9.345 0.415 429 HG12 ILE 58 1HG1 ILE 58 12.078 11.933 0.375 430 HG13 ILE 58 2HG1 ILE 58 12.015 10.762 1.684 431 HG21 ILE 58 1HG2 ILE 58 10.751 11.455 -1.729 432 HG22 ILE 58 2HG2 ILE 58 9.644 10.081 -1.778 433 HG23 ILE 58 3HG2 ILE 58 11.392 9.815 -1.840 434 HD11 ILE 58 3HD1 ILE 58 13.196 10.310 -1.038 435 HD12 ILE 58 1HD1 ILE 58 13.192 9.146 0.301 436 HD13 ILE 58 2HD1 ILE 58 14.064 10.682 0.453 437 H ARG 59 H ARG 59 8.320 12.540 -0.936 438 HA ARG 59 HA ARG 59 6.252 10.487 -1.491 439 HB2 ARG 59 1HB ARG 59 5.778 13.488 -1.430 440 HB3 ARG 59 2HB ARG 59 4.611 12.287 -1.945 441 HG2 ARG 59 1HG ARG 59 5.694 12.681 0.832 442 HG3 ARG 59 2HG ARG 59 4.075 13.075 0.255 443 HD2 ARG 59 1HD ARG 59 3.677 10.709 -0.196 444 HD3 ARG 59 2HD ARG 59 5.283 10.321 0.419 445 HE ARG 59 HE ARG 59 3.051 11.398 1.974 446 HH11 ARG 59 1HH1 ARG 59 6.217 9.748 1.905 447 HH12 ARG 59 2HH1 ARG 59 6.083 9.220 3.528 448 HH21 ARG 59 1HH2 ARG 59 2.928 10.641 4.163 449 HH22 ARG 59 2HH2 ARG 59 4.200 9.713 4.821 450 H LEU 60 H LEU 60 5.561 10.508 -3.730 451 HA LEU 60 HA LEU 60 7.523 11.677 -5.457 452 HB2 LEU 60 1HB LEU 60 5.066 10.036 -6.089 453 HB3 LEU 60 2HB LEU 60 6.181 10.640 -7.298 454 HG LEU 60 HG LEU 60 7.961 9.355 -5.951 455 HD11 LEU 60 1HD1 LEU 60 7.198 7.322 -4.883 456 HD12 LEU 60 2HD1 LEU 60 5.533 7.876 -5.037 457 HD13 LEU 60 3HD1 LEU 60 6.674 8.775 -4.034 458 HD21 LEU 60 3HD2 LEU 60 5.928 7.928 -7.641 459 HD22 LEU 60 1HD2 LEU 60 7.548 7.337 -7.263 460 HD23 LEU 60 2HD2 LEU 60 7.348 8.811 -8.204 461 H GLN 61 H GLN 61 6.678 12.854 -7.469 462 HA GLN 61 HA GLN 61 5.861 15.361 -6.688 463 HB2 GLN 61 1HB GLN 61 7.055 14.895 -8.755 464 HB3 GLN 61 2HB GLN 61 5.634 14.114 -9.414 465 HG2 GLN 61 1HG GLN 61 4.442 16.200 -9.444 466 HG3 GLN 61 2HG GLN 61 5.784 17.011 -8.634 467 HE21 GLN 61 2HE2 GLN 61 4.535 17.482 -11.247 468 HE22 GLN 61 1HE2 GLN 61 5.839 17.447 -12.367 469 H SER 62 H SER 62 3.806 12.753 -7.819 470 HA SER 62 HA SER 62 1.501 14.550 -7.474 471 HB2 SER 62 1HB SER 62 1.623 11.973 -9.043 472 HB3 SER 62 2HB SER 62 0.341 13.185 -9.073 473 HG SER 62 HG SER 62 2.786 13.134 -10.313 474 H SER 63 H SER 63 3.067 12.716 -5.470 475 HA SER 63 HA SER 63 2.777 11.075 -3.967 476 HB2 SER 63 1HB SER 63 -0.056 12.197 -3.923 477 HB3 SER 63 2HB SER 63 0.637 11.174 -2.662 478 HG SER 63 HG SER 63 1.653 13.698 -3.484 479 H PHE 64 H PHE 64 3.177 9.549 -5.533 480 HA PHE 64 HA PHE 64 1.253 8.589 -7.362 481 HB2 PHE 64 1HB PHE 64 3.701 8.731 -7.736 482 HB3 PHE 64 2HB PHE 64 3.914 7.379 -6.642 483 HD1 PHE 64 HD1 PHE 64 2.216 8.357 -9.798 484 HD2 PHE 64 HD2 PHE 64 3.914 5.215 -7.485 485 HE1 PHE 64 HE1 PHE 64 2.008 6.837 -11.719 486 HE2 PHE 64 HE2 PHE 64 3.697 3.685 -9.399 487 HZ PHE 64 HZ PHE 64 2.745 4.499 -11.520 488 H LYS 65 H LYS 65 2.616 7.143 -4.402 489 HA LYS 65 HA LYS 65 2.006 5.396 -3.095 490 HB2 LYS 65 1HB LYS 65 -0.595 5.456 -4.661 491 HB3 LYS 65 2HB LYS 65 -0.319 4.397 -3.294 492 HG2 LYS 65 1HG LYS 65 -0.215 7.410 -3.162 493 HG3 LYS 65 2HG LYS 65 -1.641 6.447 -2.774 494 HD2 LYS 65 1HD LYS 65 1.033 6.174 -1.385 495 HD3 LYS 65 2HD LYS 65 -0.305 7.148 -0.781 496 HE2 LYS 65 1HE LYS 65 -1.709 5.155 -0.633 497 HE3 LYS 65 2HE LYS 65 -0.409 4.168 -1.289 498 HZ1 LYS 65 3HZ LYS 65 -0.295 5.658 1.276 499 HZ2 LYS 65 1HZ LYS 65 0.917 4.659 0.665 500 HZ3 LYS 65 2HZ LYS 65 -0.557 4.004 1.119 501 H GLN 66 H GLN 66 1.761 2.982 -3.138 502 HA GLN 66 HA GLN 66 2.744 2.018 -5.719 503 HB2 GLN 66 1HB GLN 66 3.016 0.728 -2.987 504 HB3 GLN 66 2HB GLN 66 3.683 0.100 -4.483 505 HG2 GLN 66 1HG GLN 66 4.503 2.607 -3.031 506 HG3 GLN 66 2HG GLN 66 5.431 1.119 -3.199 507 HE21 GLN 66 2HE2 GLN 66 6.409 0.679 -5.218 508 HE22 GLN 66 1HE2 GLN 66 6.645 1.923 -6.389 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -0.448 -3.219 -1.180 2 HA2 GLY 1 2HA GLY 1 0.548 -5.217 -2.107 3 HA3 GLY 1 1HA GLY 1 1.488 -3.780 -2.509 4 H ALA 2 H ALA 2 3.247 -5.387 -2.775 5 HA ALA 2 HA ALA 2 4.241 -6.550 -0.332 6 HB1 ALA 2 1HB ALA 2 5.500 -6.440 -3.083 7 HB2 ALA 2 2HB ALA 2 4.539 -7.775 -2.442 8 HB3 ALA 2 3HB ALA 2 6.095 -7.380 -1.717 9 H MET 3 H MET 3 4.719 -4.908 1.005 10 HA MET 3 HA MET 3 6.368 -2.718 0.077 11 HB2 MET 3 1HB MET 3 4.468 -2.234 1.564 12 HB3 MET 3 2HB MET 3 5.186 -3.239 2.812 13 HG2 MET 3 1HG MET 3 5.568 -0.863 3.233 14 HG3 MET 3 2HG MET 3 7.083 -1.731 2.976 15 HE1 MET 3 3HE MET 3 8.463 0.473 2.519 16 HE2 MET 3 1HE MET 3 7.008 1.404 2.869 17 HE3 MET 3 2HE MET 3 7.936 1.739 1.407 18 H GLY 4 H GLY 4 8.452 -2.470 0.497 19 HA2 GLY 4 1HA GLY 4 9.943 -3.363 2.586 20 HA3 GLY 4 2HA GLY 4 9.989 -4.664 1.392 21 H MET 5 H MET 5 12.343 -3.844 1.584 22 HA MET 5 HA MET 5 12.677 -1.890 -0.573 23 HB2 MET 5 1HB MET 5 14.389 -2.157 1.899 24 HB3 MET 5 2HB MET 5 14.879 -1.252 0.479 25 HG2 MET 5 1HG MET 5 12.910 0.206 0.780 26 HG3 MET 5 2HG MET 5 12.512 -0.685 2.246 27 HE1 MET 5 3HE MET 5 13.822 2.767 3.574 28 HE2 MET 5 1HE MET 5 12.469 1.641 3.542 29 HE3 MET 5 2HE MET 5 12.933 2.501 2.075 30 HA PRO 6 HA PRO 6 14.827 -5.605 -2.066 31 HB2 PRO 6 1HB PRO 6 14.015 -4.702 -4.698 32 HB3 PRO 6 2HB PRO 6 13.527 -6.170 -3.859 33 HG2 PRO 6 1HG PRO 6 11.820 -4.103 -4.375 34 HG3 PRO 6 2HG PRO 6 11.628 -5.196 -2.993 35 HD2 PRO 6 1HD PRO 6 12.776 -2.434 -3.083 36 HD3 PRO 6 2HD PRO 6 11.713 -3.185 -1.868 37 H ASN 7 H ASN 7 14.836 -2.268 -3.022 38 HA ASN 7 HA ASN 7 17.643 -2.104 -3.330 39 HB2 ASN 7 1HB ASN 7 16.797 -3.038 -5.613 40 HB3 ASN 7 2HB ASN 7 15.915 -1.539 -5.787 41 HD21 ASN 7 2HD2 ASN 7 17.940 -2.650 -7.512 42 HD22 ASN 7 1HD2 ASN 7 19.214 -1.508 -7.616 43 H ARG 8 H ARG 8 17.855 0.336 -4.183 44 HA ARG 8 HA ARG 8 16.325 1.963 -2.399 45 HB2 ARG 8 1HB ARG 8 18.229 2.726 -4.634 46 HB3 ARG 8 2HB ARG 8 17.585 3.835 -3.434 47 HG2 ARG 8 1HG ARG 8 18.756 2.637 -1.678 48 HG3 ARG 8 2HG ARG 8 19.347 1.465 -2.852 49 HD2 ARG 8 1HD ARG 8 20.612 3.184 -3.997 50 HD3 ARG 8 2HD ARG 8 19.946 4.429 -2.940 51 HE ARG 8 HE ARG 8 21.233 2.418 -1.419 52 HH11 ARG 8 1HH1 ARG 8 22.041 5.198 -3.500 53 HH12 ARG 8 2HH1 ARG 8 23.492 5.534 -2.680 54 HH21 ARG 8 1HH2 ARG 8 23.205 2.899 -0.342 55 HH22 ARG 8 2HH2 ARG 8 24.181 4.204 -0.863 56 H LYS 9 H LYS 9 14.375 2.758 -2.847 57 HA LYS 9 HA LYS 9 13.096 2.546 -5.387 58 HB2 LYS 9 1HB LYS 9 12.032 2.788 -3.017 59 HB3 LYS 9 2HB LYS 9 12.339 4.495 -3.194 60 HG2 LYS 9 1HG LYS 9 10.517 2.874 -5.009 61 HG3 LYS 9 2HG LYS 9 9.976 3.790 -3.619 62 HD2 LYS 9 1HD LYS 9 9.475 5.265 -5.323 63 HD3 LYS 9 2HD LYS 9 11.107 5.798 -4.939 64 HE2 LYS 9 1HE LYS 9 11.966 4.436 -6.803 65 HE3 LYS 9 2HE LYS 9 10.325 3.919 -7.174 66 HZ1 LYS 9 3HZ LYS 9 11.328 6.752 -7.352 67 HZ2 LYS 9 1HZ LYS 9 9.749 6.220 -7.665 68 HZ3 LYS 9 2HZ LYS 9 11.016 5.720 -8.623 69 H TYR 10 H TYR 10 14.368 5.269 -3.531 70 HA TYR 10 HA TYR 10 14.216 6.919 -5.895 71 HB2 TYR 10 1HB TYR 10 15.193 7.664 -3.123 72 HB3 TYR 10 2HB TYR 10 14.778 8.772 -4.426 73 HD1 TYR 10 HD2 TYR 10 12.270 8.278 -5.340 74 HD2 TYR 10 HD1 TYR 10 13.646 7.526 -1.407 75 HE1 TYR 10 HE2 TYR 10 9.950 8.390 -4.511 76 HE2 TYR 10 HE1 TYR 10 11.314 7.632 -0.578 77 HH TYR 10 HH TYR 10 8.644 7.503 -2.559 78 H ALA 11 H ALA 11 15.800 6.192 -7.247 79 HA ALA 11 HA ALA 11 18.476 5.757 -6.239 80 HB1 ALA 11 1HB ALA 11 17.663 4.383 -8.115 81 HB2 ALA 11 2HB ALA 11 19.036 5.368 -8.623 82 HB3 ALA 11 3HB ALA 11 17.399 5.841 -9.073 83 H ASP 12 H ASP 12 20.244 7.118 -6.872 84 HA ASP 12 HA ASP 12 19.517 9.763 -6.435 85 HB2 ASP 12 1HB ASP 12 21.894 10.356 -6.590 86 HB3 ASP 12 2HB ASP 12 21.619 8.961 -5.565 87 H GLY 13 H GLY 13 19.177 11.431 -7.596 88 HA2 GLY 13 1HA GLY 13 19.529 12.694 -9.634 89 HA3 GLY 13 2HA GLY 13 19.451 11.168 -10.504 90 H GLU 14 H GLU 14 17.144 10.545 -8.345 91 HA GLU 14 HA GLU 14 15.089 11.297 -10.202 92 HB2 GLU 14 1HB GLU 14 15.140 9.064 -9.086 93 HB3 GLU 14 2HB GLU 14 14.939 9.854 -7.536 94 HG2 GLU 14 1HG GLU 14 12.698 10.515 -8.087 95 HG3 GLU 14 2HG GLU 14 12.914 10.032 -9.767 96 H VAL 15 H VAL 15 13.581 12.915 -9.911 97 HA VAL 15 HA VAL 15 14.097 14.630 -7.620 98 HB VAL 15 HB VAL 15 14.141 15.822 -9.734 99 HG11 VAL 15 1HG1 VAL 15 12.219 15.966 -11.237 100 HG12 VAL 15 2HG1 VAL 15 11.388 14.741 -10.263 101 HG13 VAL 15 3HG1 VAL 15 12.887 14.340 -11.108 102 HG21 VAL 15 3HG2 VAL 15 13.183 17.069 -7.885 103 HG22 VAL 15 1HG2 VAL 15 11.576 16.457 -8.280 104 HG23 VAL 15 2HG2 VAL 15 12.411 17.534 -9.402 105 H VAL 16 H VAL 16 12.727 14.816 -6.006 106 HA VAL 16 HA VAL 16 10.117 13.552 -6.195 107 HB VAL 16 HB VAL 16 10.534 12.477 -3.918 108 HG11 VAL 16 1HG1 VAL 16 12.171 11.494 -6.250 109 HG12 VAL 16 2HG1 VAL 16 10.456 11.180 -5.990 110 HG13 VAL 16 3HG1 VAL 16 11.652 10.520 -4.873 111 HG21 VAL 16 3HG2 VAL 16 12.870 11.998 -3.331 112 HG22 VAL 16 1HG2 VAL 16 12.546 13.732 -3.314 113 HG23 VAL 16 2HG2 VAL 16 13.414 13.005 -4.670 114 H MET 17 H MET 17 9.128 13.813 -3.775 115 HA MET 17 HA MET 17 9.515 16.640 -3.092 116 HB2 MET 17 1HB MET 17 7.098 14.841 -2.723 117 HB3 MET 17 2HB MET 17 7.222 16.469 -2.081 118 HG2 MET 17 1HG MET 17 7.335 15.756 -4.991 119 HG3 MET 17 2HG MET 17 5.876 16.303 -4.159 120 HE1 MET 17 3HE MET 17 5.609 18.741 -3.146 121 HE2 MET 17 1HE MET 17 6.846 19.997 -3.253 122 HE3 MET 17 2HE MET 17 7.116 18.591 -2.236 123 H GLY 18 H GLY 18 10.199 16.998 -1.072 124 HA2 GLY 18 1HA GLY 18 10.310 14.666 0.748 125 HA3 GLY 18 2HA GLY 18 11.658 15.701 0.497 126 H ARG 19 H ARG 19 9.871 15.146 2.829 127 HA ARG 19 HA ARG 19 8.708 17.741 3.355 128 HB2 ARG 19 1HB ARG 19 7.503 15.690 3.935 129 HB3 ARG 19 2HB ARG 19 8.825 15.208 4.979 130 HG2 ARG 19 1HG ARG 19 8.389 17.121 6.425 131 HG3 ARG 19 2HG ARG 19 7.074 17.626 5.360 132 HD2 ARG 19 1HD ARG 19 6.245 16.397 7.294 133 HD3 ARG 19 2HD ARG 19 5.909 15.542 5.787 134 HE ARG 19 HE ARG 19 8.296 14.837 7.308 135 HH11 ARG 19 1HH1 ARG 19 5.040 13.953 6.238 136 HH12 ARG 19 2HH1 ARG 19 5.194 12.316 6.635 137 HH21 ARG 19 1HH2 ARG 19 8.535 12.576 7.815 138 HH22 ARG 19 2HH2 ARG 19 7.220 11.509 7.557 139 H TRP 20 H TRP 20 9.566 19.181 4.689 140 HA TRP 20 HA TRP 20 12.300 18.929 5.393 141 HB2 TRP 20 1HB TRP 20 11.050 21.106 4.835 142 HB3 TRP 20 2HB TRP 20 10.388 21.029 6.462 143 HD1 TRP 20 HD1 TRP 20 12.170 21.364 8.504 144 HE1 TRP 20 HE1 TRP 20 14.447 22.552 8.574 145 HE3 TRP 20 HE3 TRP 20 13.061 21.676 3.494 146 HZ2 TRP 20 HZ2 TRP 20 16.373 23.521 6.719 147 HZ3 TRP 20 HZ3 TRP 20 15.130 22.740 2.722 148 HH2 TRP 20 HH2 TRP 20 16.744 23.637 4.268 149 HA PRO 21 HA PRO 21 11.657 16.328 8.918 150 HB2 PRO 21 1HB PRO 21 13.979 17.111 10.274 151 HB3 PRO 21 2HB PRO 21 13.839 15.787 9.116 152 HG2 PRO 21 1HG PRO 21 14.791 18.581 8.698 153 HG3 PRO 21 2HG PRO 21 15.359 17.071 7.956 154 HD2 PRO 21 1HD PRO 21 13.843 18.799 6.626 155 HD3 PRO 21 2HD PRO 21 13.626 17.047 6.409 156 H GLY 22 H GLY 22 10.135 16.812 10.264 157 HA2 GLY 22 1HA GLY 22 9.645 17.461 12.554 158 HA3 GLY 22 2HA GLY 22 10.621 18.904 12.283 159 H SER 23 H SER 23 9.492 19.286 9.645 160 HA SER 23 HA SER 23 7.122 20.740 10.488 161 HB2 SER 23 1HB SER 23 8.768 20.896 7.956 162 HB3 SER 23 2HB SER 23 7.560 22.063 8.493 163 HG SER 23 HG SER 23 9.286 22.980 9.272 164 H VAL 24 H VAL 24 5.440 20.865 8.565 165 HA VAL 24 HA VAL 24 5.072 18.137 7.547 166 HB VAL 24 HB VAL 24 3.252 19.093 8.991 167 HG11 VAL 24 1HG1 VAL 24 3.307 21.392 8.404 168 HG12 VAL 24 2HG1 VAL 24 1.700 20.757 8.054 169 HG13 VAL 24 3HG1 VAL 24 2.846 21.033 6.743 170 HG21 VAL 24 3HG2 VAL 24 1.351 18.441 7.539 171 HG22 VAL 24 1HG2 VAL 24 2.693 17.295 7.479 172 HG23 VAL 24 2HG2 VAL 24 2.449 18.439 6.160 173 H LEU 25 H LEU 25 6.304 20.949 6.657 174 HA LEU 25 HA LEU 25 5.129 21.408 4.122 175 HB2 LEU 25 1HB LEU 25 7.644 22.381 5.330 176 HB3 LEU 25 2HB LEU 25 7.103 22.824 3.724 177 HG LEU 25 HG LEU 25 5.998 23.613 6.378 178 HD11 LEU 25 1HD1 LEU 25 5.990 25.756 5.234 179 HD12 LEU 25 2HD1 LEU 25 6.470 24.841 3.781 180 HD13 LEU 25 3HD1 LEU 25 7.588 24.945 5.155 181 HD21 LEU 25 3HD2 LEU 25 3.981 24.451 5.262 182 HD22 LEU 25 1HD2 LEU 25 4.040 22.689 5.239 183 HD23 LEU 25 2HD2 LEU 25 4.444 23.611 3.787 184 H TYR 26 H TYR 26 5.581 20.793 2.262 185 HA TYR 26 HA TYR 26 7.777 18.895 1.859 186 HB2 TYR 26 1HB TYR 26 5.045 19.056 0.662 187 HB3 TYR 26 2HB TYR 26 6.350 18.389 -0.305 188 HD1 TYR 26 HD2 TYR 26 4.376 17.933 2.785 189 HD2 TYR 26 HD1 TYR 26 7.225 16.241 0.126 190 HE1 TYR 26 HE2 TYR 26 4.106 15.750 3.882 191 HE2 TYR 26 HE1 TYR 26 6.962 14.059 1.207 192 HH TYR 26 HH TYR 26 4.448 13.381 3.374 193 H TYR 27 H TYR 27 9.232 19.236 0.383 194 HA TYR 27 HA TYR 27 8.948 21.546 -1.383 195 HB2 TYR 27 1HB TYR 27 11.252 20.717 0.330 196 HB3 TYR 27 2HB TYR 27 11.479 21.796 -1.048 197 HD1 TYR 27 HD2 TYR 27 10.110 21.462 2.359 198 HD2 TYR 27 HD1 TYR 27 10.684 24.081 -0.942 199 HE1 TYR 27 HE2 TYR 27 9.548 23.383 3.789 200 HE2 TYR 27 HE1 TYR 27 10.129 25.999 0.471 201 HH TYR 27 HH TYR 27 9.018 26.507 2.422 202 H GLU 28 H GLU 28 10.291 21.358 -3.269 203 HA GLU 28 HA GLU 28 10.343 18.619 -4.208 204 HB2 GLU 28 1HB GLU 28 9.376 20.448 -5.605 205 HB3 GLU 28 2HB GLU 28 10.954 21.207 -5.664 206 HG2 GLU 28 1HG GLU 28 11.860 19.306 -6.869 207 HG3 GLU 28 2HG GLU 28 10.310 18.478 -6.760 208 H VAL 29 H VAL 29 12.150 17.463 -4.323 209 HA VAL 29 HA VAL 29 14.718 18.855 -4.019 210 HB VAL 29 HB VAL 29 15.470 17.177 -2.393 211 HG11 VAL 29 1HG1 VAL 29 14.172 17.890 -0.461 212 HG12 VAL 29 2HG1 VAL 29 12.927 18.519 -1.541 213 HG13 VAL 29 3HG1 VAL 29 14.539 19.237 -1.536 214 HG21 VAL 29 3HG2 VAL 29 12.626 16.158 -2.450 215 HG22 VAL 29 1HG2 VAL 29 13.875 15.653 -1.306 216 HG23 VAL 29 2HG2 VAL 29 14.059 15.303 -3.026 217 H GLN 30 H GLN 30 16.542 17.439 -4.628 218 HA GLN 30 HA GLN 30 15.596 15.222 -6.308 219 HB2 GLN 30 1HB GLN 30 16.454 17.196 -7.636 220 HB3 GLN 30 2HB GLN 30 18.021 16.945 -6.885 221 HG2 GLN 30 1HG GLN 30 18.194 14.744 -7.946 222 HG3 GLN 30 2HG GLN 30 16.585 14.937 -8.606 223 HE21 GLN 30 2HE2 GLN 30 17.380 14.673 -10.709 224 HE22 GLN 30 1HE2 GLN 30 18.191 15.960 -11.522 225 H VAL 31 H VAL 31 16.485 13.316 -5.910 226 HA VAL 31 HA VAL 31 17.988 13.101 -3.518 227 HB VAL 31 HB VAL 31 16.296 11.376 -4.113 228 HG11 VAL 31 1HG1 VAL 31 16.314 11.312 -6.320 229 HG12 VAL 31 2HG1 VAL 31 16.810 9.700 -5.775 230 HG13 VAL 31 3HG1 VAL 31 17.998 10.852 -6.400 231 HG21 VAL 31 3HG2 VAL 31 18.081 10.714 -2.571 232 HG22 VAL 31 1HG2 VAL 31 19.073 10.222 -3.943 233 HG23 VAL 31 2HG2 VAL 31 17.571 9.366 -3.594 234 H THR 32 H THR 32 20.021 12.703 -3.103 235 HA THR 32 HA THR 32 21.825 12.910 -5.391 236 HB THR 32 HB THR 32 22.110 14.146 -2.649 237 HG1 THR 32 HG1 THR 32 20.448 14.871 -4.380 238 HG21 THR 32 3HG2 THR 32 23.814 15.510 -3.732 239 HG22 THR 32 1HG2 THR 32 23.647 14.573 -5.211 240 HG23 THR 32 2HG2 THR 32 24.280 13.795 -3.744 241 H SER 33 H SER 33 21.386 11.517 -2.106 242 HA SER 33 HA SER 33 23.113 9.325 -2.779 243 HB2 SER 33 1HB SER 33 23.873 11.174 -0.471 244 HB3 SER 33 2HB SER 33 24.651 9.646 -0.864 245 HG SER 33 HG SER 33 24.597 11.115 -3.055 246 H TYR 34 H TYR 34 23.142 7.761 -0.738 247 HA TYR 34 HA TYR 34 20.920 8.164 1.063 248 HB2 TYR 34 1HB TYR 34 19.730 7.288 -0.822 249 HB3 TYR 34 2HB TYR 34 20.914 6.019 -1.058 250 HD1 TYR 34 HD1 TYR 34 18.680 7.193 1.723 251 HD2 TYR 34 HD2 TYR 34 20.171 3.934 -0.510 252 HE1 TYR 34 HE1 TYR 34 17.232 5.671 2.984 253 HE2 TYR 34 HE2 TYR 34 18.738 2.401 0.732 254 HH TYR 34 HH TYR 34 16.187 3.464 2.662 255 H ASP 35 H ASP 35 21.232 7.201 2.935 256 HA ASP 35 HA ASP 35 23.417 5.243 3.289 257 HB2 ASP 35 1HB ASP 35 23.281 7.208 4.858 258 HB3 ASP 35 2HB ASP 35 21.673 6.665 5.327 259 H ASP 36 H ASP 36 22.889 3.184 3.391 260 HA ASP 36 HA ASP 36 20.125 2.495 2.913 261 HB2 ASP 36 1HB ASP 36 22.560 0.691 3.029 262 HB3 ASP 36 2HB ASP 36 20.960 0.229 2.475 263 H ALA 37 H ALA 37 22.311 2.454 5.522 264 HA ALA 37 HA ALA 37 21.008 0.320 6.920 265 HB1 ALA 37 1HB ALA 37 23.406 0.722 7.177 266 HB2 ALA 37 2HB ALA 37 22.557 0.790 8.721 267 HB3 ALA 37 3HB ALA 37 23.058 2.282 7.922 268 H SER 38 H SER 38 21.228 3.860 7.413 269 HA SER 38 HA SER 38 19.166 3.570 9.445 270 HB2 SER 38 1HB SER 38 20.863 5.925 8.652 271 HB3 SER 38 2HB SER 38 19.700 5.922 9.987 272 HG SER 38 HG SER 38 22.073 5.412 10.289 273 H HIS 39 H HIS 39 19.169 3.947 6.226 274 HA HIS 39 HA HIS 39 17.578 4.426 4.664 275 HB2 HIS 39 1HB HIS 39 15.707 5.090 6.970 276 HB3 HIS 39 2HB HIS 39 15.239 4.777 5.311 277 HD1 HIS 39 HD1 HIS 39 15.478 3.186 8.525 278 HD2 HIS 39 HD2 HIS 39 15.857 1.955 4.576 279 HE1 HIS 39 HE1 HIS 39 15.131 0.693 8.527 280 H LEU 40 H LEU 40 19.378 6.365 5.170 281 HA LEU 40 HA LEU 40 17.800 8.870 5.322 282 HB2 LEU 40 1HB LEU 40 20.612 8.300 6.139 283 HB3 LEU 40 2HB LEU 40 20.251 9.893 5.529 284 HG LEU 40 HG LEU 40 20.253 9.913 7.929 285 HD11 LEU 40 1HD1 LEU 40 18.693 11.380 6.844 286 HD12 LEU 40 2HD1 LEU 40 18.076 10.824 8.395 287 HD13 LEU 40 3HD1 LEU 40 17.444 10.134 6.903 288 HD21 LEU 40 3HD2 LEU 40 19.747 7.603 8.394 289 HD22 LEU 40 1HD2 LEU 40 18.103 7.821 7.796 290 HD23 LEU 40 2HD2 LEU 40 18.632 8.663 9.254 291 H TYR 41 H TYR 41 17.383 9.852 3.467 292 HA TYR 41 HA TYR 41 19.168 9.355 1.217 293 HB2 TYR 41 1HB TYR 41 16.359 10.437 1.415 294 HB3 TYR 41 2HB TYR 41 17.325 10.646 -0.034 295 HD1 TYR 41 HD1 TYR 41 15.427 8.279 2.019 296 HD2 TYR 41 HD2 TYR 41 17.794 8.741 -1.481 297 HE1 TYR 41 HE1 TYR 41 14.631 6.099 1.167 298 HE2 TYR 41 HE2 TYR 41 17.003 6.561 -2.311 299 HH TYR 41 HH TYR 41 14.441 4.812 -0.659 300 H THR 42 H THR 42 20.513 10.883 0.662 301 HA THR 42 HA THR 42 20.228 13.508 1.896 302 HB THR 42 HB THR 42 22.407 12.401 0.103 303 HG1 THR 42 HG1 THR 42 21.825 11.966 2.706 304 HG21 THR 42 3HG2 THR 42 22.348 14.809 1.940 305 HG22 THR 42 1HG2 THR 42 22.329 14.854 0.179 306 HG23 THR 42 2HG2 THR 42 23.757 14.259 1.031 307 H VAL 43 H VAL 43 19.411 15.095 0.702 308 HA VAL 43 HA VAL 43 19.131 14.657 -2.185 309 HB VAL 43 HB VAL 43 16.925 15.751 -2.087 310 HG11 VAL 43 1HG1 VAL 43 15.620 13.994 -0.965 311 HG12 VAL 43 2HG1 VAL 43 17.093 13.410 -0.196 312 HG13 VAL 43 3HG1 VAL 43 16.917 13.316 -1.944 313 HG21 VAL 43 3HG2 VAL 43 17.272 15.733 0.917 314 HG22 VAL 43 1HG2 VAL 43 15.793 16.174 0.063 315 HG23 VAL 43 2HG2 VAL 43 17.243 17.162 -0.115 316 H LYS 44 H LYS 44 19.113 16.637 -3.368 317 HA LYS 44 HA LYS 44 20.301 18.842 -1.881 318 HB2 LYS 44 1HB LYS 44 21.497 17.907 -3.901 319 HB3 LYS 44 2HB LYS 44 20.151 18.471 -4.879 320 HG2 LYS 44 1HG LYS 44 20.613 20.782 -4.107 321 HG3 LYS 44 2HG LYS 44 22.026 20.174 -3.243 322 HD2 LYS 44 1HD LYS 44 22.945 19.348 -5.380 323 HD3 LYS 44 2HD LYS 44 21.550 20.038 -6.219 324 HE2 LYS 44 1HE LYS 44 23.353 21.584 -6.435 325 HE3 LYS 44 2HE LYS 44 22.197 22.269 -5.294 326 HZ1 LYS 44 3HZ LYS 44 23.740 21.269 -3.490 327 HZ2 LYS 44 1HZ LYS 44 24.351 22.581 -4.358 328 HZ3 LYS 44 2HZ LYS 44 24.812 21.031 -4.722 329 H TYR 45 H TYR 45 19.233 20.660 -1.631 330 HA TYR 45 HA TYR 45 16.556 20.944 -2.716 331 HB2 TYR 45 1HB TYR 45 18.124 22.295 -0.560 332 HB3 TYR 45 2HB TYR 45 16.734 23.103 -1.247 333 HD1 TYR 45 HD1 TYR 45 17.837 20.160 0.692 334 HD2 TYR 45 HD2 TYR 45 14.533 22.403 -0.757 335 HE1 TYR 45 HE1 TYR 45 16.322 18.916 2.185 336 HE2 TYR 45 HE2 TYR 45 13.038 21.193 0.702 337 HH TYR 45 HH TYR 45 14.124 19.231 3.240 338 H LYS 46 H LYS 46 15.933 22.911 -3.697 339 HA LYS 46 HA LYS 46 17.641 23.786 -5.735 340 HB2 LYS 46 1HB LYS 46 15.160 23.787 -5.818 341 HB3 LYS 46 2HB LYS 46 15.146 25.110 -4.661 342 HG2 LYS 46 1HG LYS 46 16.276 26.518 -6.192 343 HG3 LYS 46 2HG LYS 46 16.421 25.200 -7.364 344 HD2 LYS 46 1HD LYS 46 13.936 25.064 -7.423 345 HD3 LYS 46 2HD LYS 46 13.872 26.480 -6.372 346 HE2 LYS 46 1HE LYS 46 15.057 27.782 -8.070 347 HE3 LYS 46 2HE LYS 46 15.119 26.360 -9.107 348 HZ1 LYS 46 3HZ LYS 46 12.657 27.738 -8.198 349 HZ2 LYS 46 1HZ LYS 46 12.698 26.339 -9.119 350 HZ3 LYS 46 2HZ LYS 46 13.293 27.763 -9.762 351 H ASP 47 H ASP 47 17.123 24.783 -2.541 352 HA ASP 47 HA ASP 47 18.287 27.378 -2.508 353 HB2 ASP 47 1HB ASP 47 16.842 26.535 -0.727 354 HB3 ASP 47 2HB ASP 47 17.987 25.259 -0.364 355 H GLY 48 H GLY 48 19.736 24.452 -3.245 356 HA2 GLY 48 1HA GLY 48 21.982 24.193 -3.851 357 HA3 GLY 48 2HA GLY 48 22.390 25.593 -2.866 358 H THR 49 H THR 49 20.774 24.438 -0.706 359 HA THR 49 HA THR 49 22.849 23.113 0.728 360 HB THR 49 HB THR 49 19.956 23.671 1.384 361 HG1 THR 49 HG1 THR 49 20.674 25.643 1.441 362 HG21 THR 49 3HG2 THR 49 22.263 22.991 3.213 363 HG22 THR 49 1HG2 THR 49 20.901 21.935 2.846 364 HG23 THR 49 2HG2 THR 49 20.641 23.433 3.743 365 H GLU 50 H GLU 50 23.130 20.863 0.928 366 HA GLU 50 HA GLU 50 20.951 19.129 0.057 367 HB2 GLU 50 1HB GLU 50 23.705 18.392 1.107 368 HB3 GLU 50 2HB GLU 50 22.513 17.266 0.494 369 HG2 GLU 50 1HG GLU 50 24.201 17.544 -1.154 370 HG3 GLU 50 2HG GLU 50 22.751 18.352 -1.736 371 H LEU 51 H LEU 51 20.066 17.619 1.430 372 HA LEU 51 HA LEU 51 20.525 17.955 4.305 373 HB2 LEU 51 1HB LEU 51 18.612 19.390 3.541 374 HB3 LEU 51 2HB LEU 51 17.842 17.927 2.961 375 HG LEU 51 HG LEU 51 17.781 17.080 5.296 376 HD11 LEU 51 1HD1 LEU 51 18.703 19.862 5.970 377 HD12 LEU 51 2HD1 LEU 51 19.611 18.370 6.217 378 HD13 LEU 51 3HD1 LEU 51 18.121 18.659 7.125 379 HD21 LEU 51 3HD2 LEU 51 15.945 18.532 6.005 380 HD22 LEU 51 1HD2 LEU 51 15.841 18.126 4.292 381 HD23 LEU 51 2HD2 LEU 51 16.420 19.720 4.786 382 H ALA 52 H ALA 52 20.052 15.971 5.455 383 HA ALA 52 HA ALA 52 19.316 13.761 3.686 384 HB1 ALA 52 1HB ALA 52 20.317 12.283 5.374 385 HB2 ALA 52 2HB ALA 52 20.742 13.689 6.351 386 HB3 ALA 52 3HB ALA 52 21.490 13.449 4.768 387 H LEU 53 H LEU 53 17.538 12.707 4.065 388 HA LEU 53 HA LEU 53 16.165 12.926 6.587 389 HB2 LEU 53 1HB LEU 53 13.985 13.186 5.167 390 HB3 LEU 53 2HB LEU 53 14.911 14.584 5.663 391 HG LEU 53 HG LEU 53 15.880 14.745 3.395 392 HD11 LEU 53 1HD1 LEU 53 15.850 12.407 2.799 393 HD12 LEU 53 2HD1 LEU 53 15.063 13.465 1.604 394 HD13 LEU 53 3HD1 LEU 53 14.079 12.501 2.691 395 HD21 LEU 53 3HD2 LEU 53 13.798 15.261 2.202 396 HD22 LEU 53 1HD2 LEU 53 13.841 15.947 3.854 397 HD23 LEU 53 2HD2 LEU 53 12.952 14.452 3.524 398 H LYS 54 H LYS 54 14.247 11.395 6.599 399 HA LYS 54 HA LYS 54 15.316 8.888 5.615 400 HB2 LYS 54 1HB LYS 54 12.987 9.429 7.440 401 HB3 LYS 54 2HB LYS 54 13.438 7.824 6.884 402 HG2 LYS 54 1HG LYS 54 15.667 8.154 7.904 403 HG3 LYS 54 2HG LYS 54 15.083 9.683 8.576 404 HD2 LYS 54 1HD LYS 54 13.319 8.486 9.762 405 HD3 LYS 54 2HD LYS 54 13.874 6.971 9.055 406 HE2 LYS 54 1HE LYS 54 16.031 7.257 10.175 407 HE3 LYS 54 2HE LYS 54 15.436 8.740 10.918 408 HZ1 LYS 54 3HZ LYS 54 14.313 6.026 11.295 409 HZ2 LYS 54 1HZ LYS 54 13.687 7.436 11.975 410 HZ3 LYS 54 2HZ LYS 54 15.214 6.891 12.425 411 H GLU 55 H GLU 55 13.934 7.276 4.599 412 HA GLU 55 HA GLU 55 12.766 8.274 2.242 413 HB2 GLU 55 1HB GLU 55 13.602 5.849 2.697 414 HB3 GLU 55 2HB GLU 55 12.014 5.598 3.375 415 HG2 GLU 55 1HG GLU 55 10.916 6.202 1.315 416 HG3 GLU 55 2HG GLU 55 12.472 6.600 0.596 417 H SER 56 H SER 56 11.394 7.558 5.337 418 HA SER 56 HA SER 56 8.673 7.593 4.509 419 HB2 SER 56 1HB SER 56 9.846 7.906 7.269 420 HB3 SER 56 2HB SER 56 8.197 7.412 6.868 421 HG SER 56 HG SER 56 9.273 5.671 5.641 422 H ASP 57 H ASP 57 10.920 10.034 4.774 423 HA ASP 57 HA ASP 57 8.876 12.041 5.377 424 HB2 ASP 57 1HB ASP 57 11.905 12.273 5.291 425 HB3 ASP 57 2HB ASP 57 10.818 13.634 5.531 426 H ILE 58 H ILE 58 9.952 10.352 2.860 427 HA ILE 58 HA ILE 58 9.963 12.644 1.022 428 HB ILE 58 HB ILE 58 11.120 9.870 0.563 429 HG12 ILE 58 1HG1 ILE 58 12.474 12.503 1.064 430 HG13 ILE 58 2HG1 ILE 58 12.454 11.108 2.135 431 HG21 ILE 58 1HG2 ILE 58 11.263 12.354 -1.163 432 HG22 ILE 58 2HG2 ILE 58 10.307 10.910 -1.505 433 HG23 ILE 58 3HG2 ILE 58 12.068 10.818 -1.492 434 HD11 ILE 58 3HD1 ILE 58 14.524 11.410 0.914 435 HD12 ILE 58 1HD1 ILE 58 13.681 11.160 -0.606 436 HD13 ILE 58 2HD1 ILE 58 13.778 9.836 0.580 437 H ARG 59 H ARG 59 8.663 12.533 -0.702 438 HA ARG 59 HA ARG 59 7.011 10.114 -1.027 439 HB2 ARG 59 1HB ARG 59 5.742 12.050 0.068 440 HB3 ARG 59 2HB ARG 59 5.961 12.918 -1.442 441 HG2 ARG 59 1HG ARG 59 4.844 10.935 -2.572 442 HG3 ARG 59 2HG ARG 59 4.374 10.418 -0.953 443 HD2 ARG 59 1HD ARG 59 2.565 11.667 -1.869 444 HD3 ARG 59 2HD ARG 59 3.338 12.657 -0.629 445 HE ARG 59 HE ARG 59 4.299 13.075 -3.310 446 HH11 ARG 59 1HH1 ARG 59 2.022 14.129 -0.794 447 HH12 ARG 59 2HH1 ARG 59 1.740 15.650 -1.478 448 HH21 ARG 59 1HH2 ARG 59 3.822 15.234 -4.329 449 HH22 ARG 59 2HH2 ARG 59 2.785 16.282 -3.493 450 H LEU 60 H LEU 60 6.356 9.827 -3.299 451 HA LEU 60 HA LEU 60 8.148 10.847 -5.234 452 HB2 LEU 60 1HB LEU 60 5.459 9.494 -5.475 453 HB3 LEU 60 2HB LEU 60 6.381 9.996 -6.877 454 HG LEU 60 HG LEU 60 7.431 8.044 -4.818 455 HD11 LEU 60 1HD1 LEU 60 6.152 7.514 -7.500 456 HD12 LEU 60 2HD1 LEU 60 5.442 7.135 -5.931 457 HD13 LEU 60 3HD1 LEU 60 6.905 6.312 -6.454 458 HD21 LEU 60 3HD2 LEU 60 9.108 9.268 -6.167 459 HD22 LEU 60 1HD2 LEU 60 8.312 8.694 -7.625 460 HD23 LEU 60 2HD2 LEU 60 9.074 7.543 -6.527 461 H GLN 61 H GLN 61 7.139 12.030 -7.254 462 HA GLN 61 HA GLN 61 6.770 14.644 -6.456 463 HB2 GLN 61 1HB GLN 61 5.985 13.376 -9.072 464 HB3 GLN 61 2HB GLN 61 6.121 15.110 -8.804 465 HG2 GLN 61 1HG GLN 61 8.498 14.812 -8.258 466 HG3 GLN 61 2HG GLN 61 8.342 13.091 -8.595 467 HE21 GLN 61 2HE2 GLN 61 8.403 16.268 -9.943 468 HE22 GLN 61 1HE2 GLN 61 8.637 15.793 -11.580 469 H SER 62 H SER 62 4.314 12.269 -7.276 470 HA SER 62 HA SER 62 2.422 13.155 -5.487 471 HB2 SER 62 1HB SER 62 2.316 15.145 -7.132 472 HB3 SER 62 2HB SER 62 1.663 14.017 -8.312 473 HG SER 62 HG SER 62 -0.193 14.229 -7.407 474 H SER 63 H SER 63 2.722 12.010 -8.821 475 HA SER 63 HA SER 63 0.838 9.872 -8.317 476 HB2 SER 63 1HB SER 63 2.326 10.642 -10.830 477 HB3 SER 63 2HB SER 63 1.009 9.477 -10.714 478 HG SER 63 HG SER 63 0.563 12.053 -9.742 479 H PHE 64 H PHE 64 1.494 7.739 -9.375 480 HA PHE 64 HA PHE 64 4.276 7.081 -9.413 481 HB2 PHE 64 1HB PHE 64 3.993 5.122 -7.944 482 HB3 PHE 64 2HB PHE 64 3.572 6.568 -7.048 483 HD1 PHE 64 HD2 PHE 64 1.065 7.097 -6.778 484 HD2 PHE 64 HD1 PHE 64 2.531 3.328 -8.092 485 HE1 PHE 64 HE2 PHE 64 -1.070 6.053 -6.158 486 HE2 PHE 64 HE1 PHE 64 0.401 2.274 -7.470 487 HZ PHE 64 HZ PHE 64 -1.406 3.637 -6.501 488 H LYS 65 H LYS 65 4.424 4.948 -10.624 489 HA LYS 65 HA LYS 65 2.329 5.068 -12.565 490 HB2 LYS 65 1HB LYS 65 3.593 3.550 -13.934 491 HB3 LYS 65 2HB LYS 65 4.647 4.827 -13.357 492 HG2 LYS 65 1HG LYS 65 5.636 3.305 -11.737 493 HG3 LYS 65 2HG LYS 65 4.521 2.029 -12.230 494 HD2 LYS 65 1HD LYS 65 6.641 3.321 -13.955 495 HD3 LYS 65 2HD LYS 65 6.698 1.699 -13.265 496 HE2 LYS 65 1HE LYS 65 4.723 2.693 -15.349 497 HE3 LYS 65 2HE LYS 65 6.080 1.622 -15.623 498 HZ1 LYS 65 3HZ LYS 65 3.909 0.480 -15.436 499 HZ2 LYS 65 1HZ LYS 65 3.790 0.946 -13.848 500 HZ3 LYS 65 2HZ LYS 65 5.016 -0.092 -14.316 501 H GLN 66 H GLN 66 0.614 3.983 -12.565 502 HA GLN 66 HA GLN 66 0.343 1.673 -10.838 503 HB2 GLN 66 1HB GLN 66 -1.702 3.355 -12.321 504 HB3 GLN 66 2HB GLN 66 -2.095 1.979 -11.300 505 HG2 GLN 66 1HG GLN 66 -1.218 3.130 -9.355 506 HG3 GLN 66 2HG GLN 66 -0.711 4.481 -10.359 507 HE21 GLN 66 2HE2 GLN 66 -2.220 5.944 -11.040 508 HE22 GLN 66 1HE2 GLN 66 -3.837 5.991 -10.457
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