NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
565757 | 2mca | 19433 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.709 21.873 -9.897 2 HA2 GLY 1 1HA GLY 1 3.442 23.368 -10.653 3 HA3 GLY 1 2HA GLY 1 2.180 24.466 -11.234 4 H ALA 2 H ALA 2 2.742 22.748 -8.079 5 HA ALA 2 HA ALA 2 2.151 25.267 -6.630 6 HB1 ALA 2 1HB ALA 2 1.041 23.008 -6.058 7 HB2 ALA 2 2HB ALA 2 2.652 22.461 -5.550 8 HB3 ALA 2 3HB ALA 2 1.873 23.833 -4.729 9 H GLN 3 H GLN 3 3.699 25.982 -5.072 10 HA GLN 3 HA GLN 3 6.444 24.799 -5.229 11 HB3 GLN 3 2HB GLN 3 7.420 27.032 -5.113 12 HG3 GLN 3 2HG GLN 3 5.527 27.033 -7.491 13 HE21 GLN 3 1HE2 GLN 3 6.282 29.371 -7.611 14 HE22 GLN 3 2HE2 GLN 3 7.930 29.670 -8.175 15 H ASP 4 H ASP 4 3.838 25.933 -3.256 16 HA ASP 4 HA ASP 4 5.478 25.367 -0.836 17 HB3 ASP 4 2HB ASP 4 3.101 27.251 -1.040 18 H GLY 5 H GLY 5 3.563 23.946 -2.885 19 HA2 GLY 5 1HA GLY 5 1.178 23.240 -1.524 20 HA3 GLY 5 2HA GLY 5 1.808 22.505 -2.989 21 H LYS 6 H LYS 6 3.165 22.609 0.293 22 HA LYS 6 HA LYS 6 3.548 19.694 0.447 23 HB3 LYS 6 2HB LYS 6 5.300 20.788 1.370 24 HG3 LYS 6 2HG LYS 6 4.722 23.086 1.544 25 HD3 LYS 6 2HD LYS 6 3.114 22.443 4.070 26 HE3 LYS 6 2HE LYS 6 2.595 24.936 3.826 27 HZ1 LYS 6 3HZ LYS 6 4.742 25.701 4.612 28 HZ2 LYS 6 1HZ LYS 6 5.437 24.248 4.351 29 HZ3 LYS 6 2HZ LYS 6 4.236 24.399 5.472 30 H GLU 7 H GLU 7 1.244 19.546 -0.128 31 HA GLU 7 HA GLU 7 -0.795 19.813 2.009 32 HB3 GLU 7 2HB GLU 7 -2.177 20.933 0.248 33 HG3 GLU 7 2HG GLU 7 0.422 22.409 0.820 34 H THR 8 H THR 8 0.466 17.422 1.272 35 HA THR 8 HA THR 8 -1.413 15.933 -0.436 36 HB THR 8 HB THR 8 0.998 14.998 -1.310 37 HG1 THR 8 1HG THR 8 2.400 16.466 -0.592 38 HG21 THR 8 3HG2 THR 8 0.584 16.293 -3.356 39 HG22 THR 8 1HG2 THR 8 -0.505 17.389 -2.459 40 HG23 THR 8 2HG2 THR 8 -0.938 15.701 -2.690 41 H THR 9 H THR 9 -1.378 13.595 0.114 42 HA THR 9 HA THR 9 -0.363 13.175 2.845 43 HB THR 9 HB THR 9 -1.238 10.847 2.562 44 HG1 THR 9 1HG THR 9 -1.214 10.513 0.392 45 HG21 THR 9 3HG2 THR 9 -2.459 12.738 3.488 46 HG22 THR 9 1HG2 THR 9 -3.477 11.448 2.822 47 HG23 THR 9 2HG2 THR 9 -3.248 12.977 1.906 48 H THR 10 H THR 10 0.856 11.236 3.356 49 HA THR 10 HA THR 10 2.587 10.376 1.169 50 HB THR 10 HB THR 10 3.042 9.854 4.132 51 HG1 THR 10 1HG THR 10 2.846 12.066 3.903 52 HG21 THR 10 3HG2 THR 10 4.481 8.611 2.520 53 HG22 THR 10 1HG2 THR 10 5.426 9.755 3.473 54 HG23 THR 10 2HG2 THR 10 4.993 10.154 1.797 55 H ILE 11 H ILE 11 2.828 8.109 0.857 56 HA ILE 11 HA ILE 11 0.926 6.341 2.299 57 HB ILE 11 HB ILE 11 1.764 6.391 -0.619 58 HG13 ILE 11 2HG1 ILE 11 -0.302 7.718 0.328 59 HG21 ILE 11 1HG2 ILE 11 1.944 4.086 0.106 60 HG22 ILE 11 2HG2 ILE 11 0.357 4.146 0.906 61 HG23 ILE 11 3HG2 ILE 11 0.497 4.237 -0.871 62 HD11 ILE 11 3HD1 ILE 11 -1.595 7.329 -1.610 63 HD12 ILE 11 1HD1 ILE 11 0.107 7.195 -2.099 64 HD13 ILE 11 2HD1 ILE 11 -0.872 5.728 -1.893 65 H ARG 12 H ARG 12 1.937 4.444 3.041 66 HA ARG 12 HA ARG 12 4.844 4.178 2.560 67 HB3 ARG 12 2HB ARG 12 3.658 4.342 5.352 68 HG3 ARG 12 2HG ARG 12 6.299 4.948 5.563 69 HD3 ARG 12 2HD ARG 12 6.746 2.396 5.837 70 HE ARG 12 HE ARG 12 5.127 4.222 7.454 71 HH11 ARG 12 1HH1 ARG 12 6.998 1.181 7.559 72 HH12 ARG 12 2HH1 ARG 12 7.794 1.627 9.022 73 HH21 ARG 12 1HH2 ARG 12 6.212 4.746 9.332 74 HH22 ARG 12 2HH2 ARG 12 7.185 3.590 10.154 75 H LEU 13 H LEU 13 5.185 2.236 1.897 76 HA LEU 13 HA LEU 13 3.263 0.037 2.511 77 HB3 LEU 13 2HB LEU 13 4.762 -1.160 0.750 78 HG LEU 13 HG LEU 13 3.877 0.262 -1.233 79 HD11 LEU 13 1HD1 LEU 13 2.860 -1.857 -0.579 80 HD12 LEU 13 2HD1 LEU 13 1.607 -0.675 -1.029 81 HD13 LEU 13 3HD1 LEU 13 1.927 -1.021 0.681 82 HD21 LEU 13 3HD2 LEU 13 3.376 2.329 0.033 83 HD22 LEU 13 1HD2 LEU 13 2.153 1.461 0.978 84 HD23 LEU 13 2HD2 LEU 13 1.927 1.673 -0.757 85 H ILE 14 H ILE 14 3.872 -1.664 3.972 86 HA ILE 14 HA ILE 14 6.766 -2.071 4.394 87 HB ILE 14 HB ILE 14 4.601 -2.654 6.428 88 HG13 ILE 14 2HG1 ILE 14 6.105 -0.041 6.061 89 HG21 ILE 14 1HG2 ILE 14 6.463 -2.880 7.948 90 HG22 ILE 14 2HG2 ILE 14 6.821 -3.836 6.498 91 HG23 ILE 14 3HG2 ILE 14 7.618 -2.291 6.746 92 HD11 ILE 14 3HD1 ILE 14 4.062 0.877 7.189 93 HD12 ILE 14 1HD1 ILE 14 3.661 0.078 5.655 94 HD13 ILE 14 2HD1 ILE 14 3.395 -0.744 7.219 95 H ASN 15 H ASN 15 7.423 -4.039 3.797 96 HA ASN 15 HA ASN 15 5.475 -6.037 2.885 97 HB3 ASN 15 2HB ASN 15 8.502 -6.042 2.850 98 HD21 ASN 15 1HD2 ASN 15 9.406 -7.525 1.371 99 HD22 ASN 15 2HD2 ASN 15 8.590 -9.059 1.131 100 H GLN 16 H GLN 16 4.752 -6.408 5.312 101 HA GLN 16 HA GLN 16 6.774 -7.627 7.038 102 HB3 GLN 16 2HB GLN 16 5.106 -7.509 8.790 103 HG3 GLN 16 2HG GLN 16 4.839 -4.942 7.192 104 HE21 GLN 16 1HE2 GLN 16 6.646 -5.007 10.202 105 HE22 GLN 16 2HE2 GLN 16 5.340 -4.435 11.214 106 H THR 17 H THR 17 6.821 -9.267 5.105 107 HA THR 17 HA THR 17 5.033 -11.598 5.655 108 HB THR 17 HB THR 17 5.043 -11.976 3.242 109 HG1 THR 17 1HG THR 17 6.133 -9.648 2.418 110 HG21 THR 17 3HG2 THR 17 3.296 -10.491 4.158 111 HG22 THR 17 1HG2 THR 17 3.704 -10.136 2.482 112 HG23 THR 17 2HG2 THR 17 4.306 -9.076 3.756 113 H TYR 18 H TYR 18 6.062 -13.442 4.071 114 HA TYR 18 HA TYR 18 8.836 -13.895 5.014 115 HB3 TYR 18 2HB TYR 18 7.285 -15.522 5.750 116 HD1 TYR 18 1HD TYR 18 6.303 -14.911 2.322 117 HD2 TYR 18 2HD TYR 18 6.537 -17.963 5.365 118 HE1 TYR 18 1HE TYR 18 4.511 -16.208 1.183 119 HE2 TYR 18 2HE TYR 18 4.814 -19.267 4.205 120 HH TYR 18 HH TYR 18 2.687 -18.138 2.060 121 H PHE 19 H PHE 19 8.069 -12.271 2.414 122 HA PHE 19 HA PHE 19 10.157 -13.565 0.785 123 HB3 PHE 19 2HB PHE 19 8.247 -14.499 -0.246 124 HD1 PHE 19 2HD PHE 19 7.571 -10.762 -0.703 125 HD2 PHE 19 1HD PHE 19 5.949 -14.685 0.132 126 HE1 PHE 19 2HE PHE 19 5.373 -9.771 -0.190 127 HE2 PHE 19 1HE PHE 19 3.851 -13.664 0.756 128 HZ PHE 19 HZ PHE 19 3.538 -11.187 0.587 129 H ASN 20 H ASN 20 10.399 -11.988 -1.245 130 HA ASN 20 HA ASN 20 10.463 -9.108 -0.476 131 HB3 ASN 20 2HB ASN 20 12.086 -10.819 -2.427 132 HD21 ASN 20 1HD2 ASN 20 11.776 -9.460 -4.374 133 HD22 ASN 20 2HD2 ASN 20 12.279 -7.773 -4.329 134 H VAL 21 H VAL 21 9.692 -7.653 -2.222 135 HA VAL 21 HA VAL 21 8.153 -8.950 -4.427 136 HB VAL 21 HB VAL 21 6.402 -7.257 -4.219 137 HG11 VAL 21 1HG1 VAL 21 6.793 -8.775 -1.620 138 HG12 VAL 21 2HG1 VAL 21 5.266 -8.098 -2.195 139 HG13 VAL 21 3HG1 VAL 21 6.034 -9.406 -3.099 140 HG21 VAL 21 3HG2 VAL 21 7.689 -5.467 -3.006 141 HG22 VAL 21 1HG2 VAL 21 6.166 -5.870 -2.188 142 HG23 VAL 21 2HG2 VAL 21 7.696 -6.494 -1.559 143 H LYS 22 H LYS 22 7.962 -7.555 -6.336 144 HA LYS 22 HA LYS 22 10.019 -5.382 -6.556 145 HB3 LYS 22 2HB LYS 22 11.150 -7.496 -7.003 146 HG3 LYS 22 2HG LYS 22 10.297 -8.448 -9.411 147 HD3 LYS 22 2HD LYS 22 9.423 -9.346 -6.652 148 HE3 LYS 22 2HE LYS 22 7.852 -10.260 -8.362 149 HZ1 LYS 22 3HZ LYS 22 9.350 -10.512 -10.247 150 HZ2 LYS 22 1HZ LYS 22 8.817 -11.996 -9.786 151 HZ3 LYS 22 2HZ LYS 22 10.327 -11.541 -9.384 152 H ASN 23 H ASN 23 7.007 -5.390 -6.746 153 HA ASN 23 HA ASN 23 6.714 -3.997 -9.234 154 HB3 ASN 23 2HB ASN 23 6.934 -6.034 -10.424 155 HD21 ASN 23 1HD2 ASN 23 4.704 -6.767 -7.754 156 HD22 ASN 23 2HD2 ASN 23 5.323 -8.439 -7.557 157 H ILE 24 H ILE 24 5.877 -2.996 -6.991 158 HA ILE 24 HA ILE 24 3.102 -3.932 -6.417 159 HB ILE 24 HB ILE 24 4.500 -1.601 -5.071 160 HG13 ILE 24 2HG1 ILE 24 6.089 -3.481 -4.890 161 HG21 ILE 24 1HG2 ILE 24 2.435 -3.614 -4.051 162 HG22 ILE 24 2HG2 ILE 24 2.937 -2.103 -3.269 163 HG23 ILE 24 3HG2 ILE 24 2.025 -2.052 -4.774 164 HD11 ILE 24 3HD1 ILE 24 4.700 -3.288 -2.224 165 HD12 ILE 24 1HD1 ILE 24 6.416 -3.539 -2.604 166 HD13 ILE 24 2HD1 ILE 24 5.680 -1.962 -2.915 167 H LYS 25 H LYS 25 1.493 -3.064 -7.669 168 HA LYS 25 HA LYS 25 1.665 -0.225 -8.649 169 HB3 LYS 25 2HB LYS 25 -0.955 -1.051 -9.014 170 HG3 LYS 25 2HG LYS 25 -0.261 -1.921 -11.372 171 HD3 LYS 25 2HD LYS 25 -1.491 0.139 -11.129 172 HE3 LYS 25 2HE LYS 25 1.235 1.338 -10.648 173 HZ1 LYS 25 3HZ LYS 25 0.372 3.430 -11.569 174 HZ2 LYS 25 1HZ LYS 25 -0.973 2.665 -12.093 175 HZ3 LYS 25 2HZ LYS 25 0.503 2.296 -12.709 176 H VAL 26 H VAL 26 0.706 1.339 -7.290 177 HA VAL 26 HA VAL 26 -1.260 0.242 -5.355 178 HB VAL 26 HB VAL 26 -0.676 1.572 -3.701 179 HG11 VAL 26 1HG1 VAL 26 0.904 -0.242 -3.956 180 HG12 VAL 26 2HG1 VAL 26 2.030 0.875 -4.803 181 HG13 VAL 26 3HG1 VAL 26 1.611 1.142 -3.093 182 HG21 VAL 26 3HG2 VAL 26 -0.265 3.757 -4.875 183 HG22 VAL 26 1HG2 VAL 26 0.723 3.420 -3.486 184 HG23 VAL 26 2HG2 VAL 26 1.409 3.237 -5.137 185 H THR 27 H THR 27 -3.150 1.478 -5.284 186 HA THR 27 HA THR 27 -3.311 3.910 -6.969 187 HB THR 27 HB THR 27 -5.613 2.041 -6.359 188 HG1 THR 27 1HG THR 27 -4.299 0.710 -7.334 189 HG21 THR 27 3HG2 THR 27 -5.139 4.033 -8.605 190 HG22 THR 27 1HG2 THR 27 -6.197 4.223 -7.218 191 HG23 THR 27 2HG2 THR 27 -6.565 2.986 -8.436 192 H TRP 28 H TRP 28 -4.411 5.651 -5.825 193 HA TRP 28 HA TRP 28 -5.505 5.049 -3.122 194 HB3 TRP 28 2HB TRP 28 -3.163 5.666 -2.825 195 HD1 TRP 28 HD TRP 28 -4.231 9.292 -2.877 196 HE1 TRP 28 1HE TRP 28 -2.639 10.645 -4.298 197 HE3 TRP 28 3HE TRP 28 -1.703 5.442 -4.909 198 HZ2 TRP 28 2HZ TRP 28 -0.405 10.051 -6.221 199 HZ3 TRP 28 3HZ TRP 28 0.186 5.810 -6.515 200 HH2 TRP 28 HH TRP 28 0.820 8.146 -7.161 201 H ASN 29 H ASN 29 -6.473 5.936 -5.902 202 HA ASN 29 HA ASN 29 -8.623 7.378 -4.787 203 HB3 ASN 29 2HB ASN 29 -7.587 9.051 -7.055 204 HD21 ASN 29 1HD2 ASN 29 -7.754 9.775 -3.608 205 HD22 ASN 29 2HD2 ASN 29 -9.224 10.746 -3.675 206 H ASP 30 H ASP 30 -9.679 8.263 -7.368 207 HA ASP 30 HA ASP 30 -9.497 5.799 -9.043 208 HB3 ASP 30 2HB ASP 30 -11.392 6.868 -10.325 209 H GLY 31 H GLY 31 -7.593 6.049 -9.972 210 HA2 GLY 31 1HA GLY 31 -6.638 6.746 -12.018 211 HA3 GLY 31 2HA GLY 31 -7.258 8.376 -11.777 212 H LYS 32 H LYS 32 -5.993 7.762 -8.745 213 HA LYS 32 HA LYS 32 -3.336 8.742 -9.392 214 HB3 LYS 32 2HB LYS 32 -3.912 8.482 -6.592 215 HG3 LYS 32 2HG LYS 32 -2.566 10.189 -7.820 216 HD3 LYS 32 2HD LYS 32 -4.584 12.231 -7.902 217 HE3 LYS 32 2HE LYS 32 -3.050 10.989 -10.225 218 HZ1 LYS 32 3HZ LYS 32 -3.424 13.100 -11.230 219 HZ2 LYS 32 1HZ LYS 32 -4.068 13.743 -9.893 220 HZ3 LYS 32 2HZ LYS 32 -4.904 12.573 -10.709 221 H GLU 33 H GLU 33 -2.204 6.989 -10.010 222 HA GLU 33 HA GLU 33 -1.678 4.962 -7.953 223 HB3 GLU 33 2HB GLU 33 -3.243 3.678 -9.264 224 HG3 GLU 33 2HG GLU 33 -2.648 3.054 -11.642 225 H GLN 34 H GLN 34 0.286 3.919 -8.363 226 HA GLN 34 HA GLN 34 2.123 4.748 -10.425 227 HB3 GLN 34 2HB GLN 34 2.181 6.766 -8.976 228 HG3 GLN 34 2HG GLN 34 2.323 5.308 -6.717 229 HE21 GLN 34 1HE2 GLN 34 3.764 3.753 -5.899 230 HE22 GLN 34 2HE2 GLN 34 5.499 3.850 -6.182 231 H THR 35 H THR 35 4.526 3.685 -9.769 232 HA THR 35 HA THR 35 3.842 1.119 -8.479 233 HB THR 35 HB THR 35 5.204 -0.072 -10.103 234 HG1 THR 35 1HG THR 35 6.507 1.047 -11.248 235 HG21 THR 35 3HG2 THR 35 2.820 0.183 -10.404 236 HG22 THR 35 1HG2 THR 35 3.679 -0.051 -11.936 237 HG23 THR 35 2HG2 THR 35 3.092 1.574 -11.490 238 H VAL 36 H VAL 36 5.630 -0.078 -7.525 239 HA VAL 36 HA VAL 36 7.809 1.771 -6.665 240 HB VAL 36 HB VAL 36 6.724 -0.338 -4.827 241 HG11 VAL 36 1HG1 VAL 36 8.839 0.926 -4.306 242 HG12 VAL 36 2HG1 VAL 36 7.953 2.445 -4.422 243 HG13 VAL 36 3HG1 VAL 36 7.546 1.307 -3.141 244 HG21 VAL 36 3HG2 VAL 36 5.174 1.085 -3.722 245 HG22 VAL 36 1HG2 VAL 36 5.529 2.436 -4.792 246 HG23 VAL 36 2HG2 VAL 36 4.667 0.994 -5.403 247 H ASN 37 H ASN 37 9.715 1.049 -6.884 248 HA ASN 37 HA ASN 37 10.568 -0.813 -8.568 249 HB3 ASN 37 2HB ASN 37 12.069 0.221 -6.120 250 HD21 ASN 37 1HD2 ASN 37 14.347 0.101 -6.189 251 HD22 ASN 37 2HD2 ASN 37 15.227 -0.807 -7.405 252 H THR 38 H THR 38 11.161 -1.400 -5.038 253 HA THR 38 HA THR 38 10.434 -4.148 -5.176 254 HB THR 38 HB THR 38 13.339 -3.458 -4.630 255 HG1 THR 38 1HG THR 38 12.156 -3.809 -7.007 256 HG21 THR 38 3HG2 THR 38 13.873 -5.796 -4.830 257 HG22 THR 38 1HG2 THR 38 12.202 -6.176 -5.312 258 HG23 THR 38 2HG2 THR 38 12.571 -5.638 -3.649 259 H LEU 39 H LEU 39 10.515 -5.112 -2.991 260 HA LEU 39 HA LEU 39 11.183 -3.260 -0.872 261 HB3 LEU 39 2HB LEU 39 8.561 -4.718 -0.541 262 HG LEU 39 HG LEU 39 9.347 -3.581 1.437 263 HD11 LEU 39 1HD1 LEU 39 10.904 -1.910 0.710 264 HD12 LEU 39 2HD1 LEU 39 9.533 -0.997 1.278 265 HD13 LEU 39 3HD1 LEU 39 9.755 -1.229 -0.455 266 HD21 LEU 39 3HD2 LEU 39 7.447 -2.079 1.815 267 HD22 LEU 39 1HD2 LEU 39 6.889 -3.433 0.826 268 HD23 LEU 39 2HD2 LEU 39 7.209 -1.876 0.063 269 H GLY 40 H GLY 40 12.589 -4.294 0.214 270 HA2 GLY 40 1HA GLY 40 13.348 -6.926 0.118 271 HA3 GLY 40 2HA GLY 40 13.634 -5.803 1.440 272 H SER 41 H SER 41 13.439 -8.404 1.887 273 HA SER 41 HA SER 41 11.009 -9.347 3.019 274 HB3 SER 41 2HB SER 41 12.482 -10.844 4.235 275 HG SER 41 HG SER 41 13.878 -10.160 1.837 276 H HIS 42 H HIS 42 9.782 -8.212 4.510 277 HA HIS 42 HA HIS 42 9.148 -6.822 6.116 278 HB3 HIS 42 2HB HIS 42 11.009 -6.701 8.109 279 HD1 HIS 42 1HD HIS 42 8.836 -6.637 9.573 280 HD2 HIS 42 2HD HIS 42 9.315 -10.064 7.162 281 HE1 HIS 42 1HE HIS 42 7.042 -8.284 10.303 282 H ASP 43 H ASP 43 10.708 -5.591 3.807 283 HA ASP 43 HA ASP 43 11.965 -3.318 5.259 284 HB3 ASP 43 2HB ASP 43 11.810 -3.294 2.278 285 H SER 44 H SER 44 11.493 -1.251 3.967 286 HA SER 44 HA SER 44 8.655 -0.834 3.385 287 HB3 SER 44 2HB SER 44 8.243 -0.671 5.609 288 HG SER 44 HG SER 44 10.258 -0.730 6.511 289 H ILE 45 H ILE 45 8.036 1.174 2.552 290 HA ILE 45 HA ILE 45 10.066 3.133 1.697 291 HB ILE 45 HB ILE 45 10.173 1.450 -0.078 292 HG13 ILE 45 2HG1 ILE 45 8.382 3.763 -0.951 293 HG21 ILE 45 1HG2 ILE 45 7.164 1.664 -0.509 294 HG22 ILE 45 2HG2 ILE 45 8.313 0.513 -1.231 295 HG23 ILE 45 3HG2 ILE 45 7.873 0.368 0.460 296 HD11 ILE 45 3HD1 ILE 45 11.344 3.378 -1.432 297 HD12 ILE 45 1HD1 ILE 45 10.326 4.730 -1.942 298 HD13 ILE 45 2HD1 ILE 45 10.664 4.493 -0.212 299 H ASP 46 H ASP 46 9.086 5.105 1.148 300 HA ASP 46 HA ASP 46 6.205 5.303 1.415 301 HB3 ASP 46 2HB ASP 46 6.435 6.157 3.532 302 H PHE 47 H PHE 47 5.381 6.888 0.217 303 HA PHE 47 HA PHE 47 7.175 8.647 -1.324 304 HB3 PHE 47 2HB PHE 47 7.192 6.846 -2.805 305 HD1 PHE 47 2HD PHE 47 6.648 4.742 -1.751 306 HD2 PHE 47 1HD PHE 47 3.569 7.216 -3.443 307 HE1 PHE 47 2HE PHE 47 5.058 2.859 -1.526 308 HE2 PHE 47 1HE PHE 47 1.974 5.319 -3.303 309 HZ PHE 47 HZ PHE 47 2.684 3.170 -2.263 310 H SER 48 H SER 48 6.121 10.368 -2.305 311 HA SER 48 HA SER 48 3.907 11.469 -0.906 312 HB3 SER 48 2HB SER 48 4.430 12.544 -3.613 313 HG SER 48 HG SER 48 4.245 14.298 -2.602 314 H SER 49 H SER 49 1.874 12.114 -1.771 315 HA SER 49 HA SER 49 0.695 10.368 -3.867 316 HB3 SER 49 2HB SER 49 -0.602 9.295 -2.416 317 HG SER 49 HG SER 49 0.936 10.734 -0.536 318 H ASP 50 H ASP 50 -0.264 11.609 -5.281 319 HA ASP 50 HA ASP 50 -0.084 14.361 -5.263 320 HB3 ASP 50 2HB ASP 50 -1.847 13.597 -7.392 321 H ALA 51 H ALA 51 -2.207 13.333 -3.188 322 HA ALA 51 HA ALA 51 -4.124 15.489 -3.765 323 HB1 ALA 51 1HB ALA 51 -4.994 12.629 -3.150 324 HB2 ALA 51 2HB ALA 51 -6.058 14.050 -3.137 325 HB3 ALA 51 3HB ALA 51 -5.284 13.528 -4.646 326 H GLY 52 H GLY 52 -4.937 16.414 -1.903 327 HA2 GLY 52 1HA GLY 52 -3.259 16.350 0.377 328 HA3 GLY 52 2HA GLY 52 -4.753 17.254 0.206 329 H SER 53 H SER 53 -6.123 14.469 -0.286 330 HA SER 53 HA SER 53 -6.130 13.276 2.375 331 HB3 SER 53 2HB SER 53 -7.658 14.968 2.902 332 HG SER 53 HG SER 53 -9.452 15.219 1.079 333 H VAL 54 H VAL 54 -7.344 11.231 2.299 334 HA VAL 54 HA VAL 54 -8.353 10.264 -0.230 335 HB VAL 54 HB VAL 54 -6.125 10.095 -0.791 336 HG11 VAL 54 1HG1 VAL 54 -4.303 9.137 0.519 337 HG12 VAL 54 2HG1 VAL 54 -4.957 10.580 1.270 338 HG13 VAL 54 3HG1 VAL 54 -5.381 8.973 1.924 339 HG21 VAL 54 3HG2 VAL 54 -5.649 7.752 -0.958 340 HG22 VAL 54 1HG2 VAL 54 -6.627 7.351 0.442 341 HG23 VAL 54 2HG2 VAL 54 -7.393 7.934 -1.060 342 H TYR 55 H TYR 55 -9.594 8.517 -0.031 343 HA TYR 55 HA TYR 55 -10.015 7.254 2.615 344 HB3 TYR 55 2HB TYR 55 -11.765 8.637 2.343 345 HD1 TYR 55 2HD TYR 55 -11.927 6.630 -0.847 346 HD2 TYR 55 1HD TYR 55 -12.570 10.436 1.032 347 HE1 TYR 55 2HE TYR 55 -12.523 7.602 -3.072 348 HE2 TYR 55 1HE TYR 55 -13.268 11.393 -1.180 349 HH TYR 55 HH TYR 55 -13.190 9.554 -4.215 350 H LYS 56 H LYS 56 -8.929 6.463 -0.585 351 HA LYS 56 HA LYS 56 -9.703 3.668 -0.064 352 HB3 LYS 56 2HB LYS 56 -11.397 4.625 -1.640 353 HG3 LYS 56 2HG LYS 56 -9.065 4.760 -3.630 354 HD3 LYS 56 2HD LYS 56 -10.897 5.649 -5.124 355 HE3 LYS 56 2HE LYS 56 -11.416 2.815 -4.098 356 HZ1 LYS 56 3HZ LYS 56 -11.849 3.854 -6.830 357 HZ2 LYS 56 1HZ LYS 56 -13.014 3.891 -5.728 358 HZ3 LYS 56 2HZ LYS 56 -12.376 2.428 -6.192 359 H MET 57 H MET 57 -8.476 2.128 -1.327 360 HA MET 57 HA MET 57 -6.031 2.994 -2.532 361 HB3 MET 57 2HB MET 57 -6.090 1.817 0.265 362 HG3 MET 57 2HG MET 57 -3.743 1.886 -1.649 363 HE1 MET 57 3HE MET 57 -2.058 3.943 1.222 364 HE2 MET 57 1HE MET 57 -1.632 3.438 -0.408 365 HE3 MET 57 2HE MET 57 -3.234 4.135 -0.097 366 H ASP 58 H ASP 58 -5.750 1.503 -4.121 367 HA ASP 58 HA ASP 58 -6.814 -1.254 -3.761 368 HB3 ASP 58 2HB ASP 58 -7.211 -1.056 -6.346 369 H VAL 59 H VAL 59 -5.013 -2.360 -3.482 370 HA VAL 59 HA VAL 59 -2.586 -1.493 -5.033 371 HB VAL 59 HB VAL 59 -1.320 -2.166 -3.354 372 HG11 VAL 59 1HG1 VAL 59 -2.750 -0.347 -2.520 373 HG12 VAL 59 2HG1 VAL 59 -3.656 -1.605 -1.600 374 HG13 VAL 59 3HG1 VAL 59 -1.943 -1.314 -1.263 375 HG21 VAL 59 3HG2 VAL 59 -3.232 -4.203 -2.465 376 HG22 VAL 59 1HG2 VAL 59 -1.634 -4.424 -3.153 377 HG23 VAL 59 2HG2 VAL 59 -1.803 -3.766 -1.508 378 H THR 60 H THR 60 -1.218 -3.281 -5.884 379 HA THR 60 HA THR 60 -2.312 -5.956 -6.123 380 HB THR 60 HB THR 60 -3.689 -5.416 -7.809 381 HG1 THR 60 1HG THR 60 -2.612 -5.279 -9.893 382 HG21 THR 60 3HG2 THR 60 -2.113 -2.910 -8.327 383 HG22 THR 60 1HG2 THR 60 -3.712 -3.066 -7.598 384 HG23 THR 60 2HG2 THR 60 -3.527 -3.413 -9.296 385 H GLY 61 H GLY 61 -0.548 -7.064 -5.820 386 HA2 GLY 61 1HA GLY 61 1.969 -6.298 -7.201 387 HA3 GLY 61 2HA GLY 61 2.002 -6.382 -5.429 388 H THR 62 H THR 62 3.750 -8.017 -6.503 389 HA THR 62 HA THR 62 2.580 -10.679 -6.249 390 HB THR 62 HB THR 62 4.394 -9.910 -8.554 391 HG1 THR 62 1HG THR 62 1.623 -9.944 -8.226 392 HG21 THR 62 3HG2 THR 62 4.434 -12.329 -8.023 393 HG22 THR 62 1HG2 THR 62 3.758 -11.978 -9.625 394 HG23 THR 62 2HG2 THR 62 2.669 -12.394 -8.288 395 H THR 63 H THR 63 3.987 -12.215 -5.404 396 HA THR 63 HA THR 63 6.217 -11.318 -3.842 397 HB THR 63 HB THR 63 6.220 -13.526 -2.986 398 HG1 THR 63 1HG THR 63 4.900 -15.141 -3.948 399 HG21 THR 63 3HG2 THR 63 3.303 -12.932 -3.560 400 HG22 THR 63 1HG2 THR 63 4.282 -12.105 -2.346 401 HG23 THR 63 2HG2 THR 63 4.027 -13.872 -2.250 402 H GLN 64 H GLN 64 8.162 -12.686 -3.726 403 HA GLN 64 HA GLN 64 9.729 -12.815 -6.041 404 HB3 GLN 64 2HB GLN 64 9.919 -14.436 -3.473 405 HG3 GLN 64 2HG GLN 64 11.806 -13.992 -5.769 406 HE21 GLN 64 1HE2 GLN 64 12.577 -14.927 -2.347 407 HE22 GLN 64 2HE2 GLN 64 13.592 -13.532 -2.080 408 H SER 65 H SER 65 7.604 -15.351 -4.475 409 HA SER 65 HA SER 65 8.242 -17.226 -6.650 410 HB3 SER 65 2HB SER 65 6.744 -18.750 -5.315 411 HG SER 65 HG SER 65 8.396 -19.100 -3.835 412 H GLY 66 H GLY 66 6.894 -14.745 -7.358 413 HA2 GLY 66 1HA GLY 66 5.449 -14.272 -9.118 414 HA3 GLY 66 2HA GLY 66 5.451 -16.020 -9.398 415 H GLU 67 H GLU 67 4.239 -14.614 -6.374 416 HA GLU 67 HA GLU 67 1.602 -15.695 -7.041 417 HB3 GLU 67 2HB GLU 67 2.491 -15.319 -4.208 418 HG3 GLU 67 2HG GLU 67 2.031 -17.805 -4.274 419 H LYS 68 H LYS 68 -0.222 -14.341 -6.780 420 HA LYS 68 HA LYS 68 0.545 -11.487 -6.672 421 HB3 LYS 68 2HB LYS 68 -1.701 -12.921 -8.133 422 HG3 LYS 68 2HG LYS 68 -0.564 -10.142 -8.411 423 HD3 LYS 68 2HD LYS 68 -2.874 -11.566 -9.773 424 HE3 LYS 68 2HE LYS 68 -3.584 -9.268 -9.257 425 HZ1 LYS 68 3HZ LYS 68 -1.023 -8.574 -10.497 426 HZ2 LYS 68 1HZ LYS 68 -1.867 -7.765 -9.323 427 HZ3 LYS 68 2HZ LYS 68 -2.310 -7.660 -10.890 428 H PHE 69 H PHE 69 -0.404 -10.149 -5.318 429 HA PHE 69 HA PHE 69 -2.716 -11.041 -3.689 430 HB3 PHE 69 2HB PHE 69 -0.770 -11.059 -2.333 431 HD1 PHE 69 2HD PHE 69 -0.904 -7.357 -2.546 432 HD2 PHE 69 1HD PHE 69 1.486 -10.882 -3.219 433 HE1 PHE 69 2HE PHE 69 1.117 -5.935 -2.776 434 HE2 PHE 69 1HE PHE 69 3.517 -9.469 -3.372 435 HZ PHE 69 HZ PHE 69 3.341 -6.986 -3.139 436 H THR 70 H THR 70 -4.063 -9.285 -2.953 437 HA THR 70 HA THR 70 -3.643 -6.646 -4.177 438 HB THR 70 HB THR 70 -6.083 -6.481 -4.696 439 HG1 THR 70 1HG THR 70 -7.351 -8.139 -4.661 440 HG21 THR 70 3HG2 THR 70 -4.437 -6.892 -6.473 441 HG22 THR 70 1HG2 THR 70 -6.033 -7.590 -6.823 442 HG23 THR 70 2HG2 THR 70 -4.692 -8.645 -6.298 443 H GLY 71 H GLY 71 -5.096 -5.099 -3.248 444 HA2 GLY 71 1HA GLY 71 -5.850 -5.481 -0.381 445 HA3 GLY 71 2HA GLY 71 -4.595 -4.330 -0.825 446 H HIS 72 H HIS 72 -7.957 -5.159 -1.093 447 HA HIS 72 HA HIS 72 -8.670 -2.814 -2.742 448 HB3 HIS 72 2HB HIS 72 -10.870 -4.084 -2.793 449 HD1 HIS 72 1HD HIS 72 -9.317 -3.556 -5.164 450 HD2 HIS 72 2HD HIS 72 -9.033 -7.248 -3.153 451 HE1 HIS 72 1HE HIS 72 -8.575 -5.262 -6.912 452 H PHE 73 H PHE 73 -8.689 -1.000 -1.321 453 HA PHE 73 HA PHE 73 -10.547 -1.169 1.034 454 HB3 PHE 73 2HB PHE 73 -8.894 0.246 2.183 455 HD1 PHE 73 1HD PHE 73 -9.249 -2.324 3.047 456 HD2 PHE 73 2HD PHE 73 -6.124 -1.071 0.346 457 HE1 PHE 73 1HE PHE 73 -7.875 -4.301 3.697 458 HE2 PHE 73 2HE PHE 73 -4.794 -3.078 0.959 459 HZ PHE 73 HZ PHE 73 -5.665 -4.670 2.644 460 H LYS 74 H LYS 74 -11.632 0.470 1.630 461 HA LYS 74 HA LYS 74 -11.790 2.971 0.035 462 HB3 LYS 74 2HB LYS 74 -14.377 2.106 0.250 463 HG3 LYS 74 2HG LYS 74 -12.598 1.208 -2.055 464 HD3 LYS 74 2HD LYS 74 -15.033 0.862 -2.377 465 HE3 LYS 74 2HE LYS 74 -15.098 3.893 -2.046 466 HZ1 LYS 74 3HZ LYS 74 -17.141 2.101 -3.183 467 HZ2 LYS 74 1HZ LYS 74 -16.468 3.428 -3.888 468 HZ3 LYS 74 2HZ LYS 74 -17.456 3.603 -2.579 469 H GLY 75 H GLY 75 -11.379 1.849 2.897 470 HA2 GLY 75 1HA GLY 75 -13.307 3.546 4.429 471 HA3 GLY 75 2HA GLY 75 -12.670 1.988 4.964 472 H LEU 76 H LEU 76 -10.712 4.467 3.317 473 HA LEU 76 HA LEU 76 -8.945 4.558 5.699 474 HB3 LEU 76 2HB LEU 76 -7.404 5.774 4.323 475 HG LEU 76 HG LEU 76 -8.506 3.534 2.552 476 HD11 LEU 76 1HD1 LEU 76 -7.100 4.935 1.264 477 HD12 LEU 76 2HD1 LEU 76 -6.073 3.582 1.782 478 HD13 LEU 76 3HD1 LEU 76 -5.954 5.165 2.582 479 HD21 LEU 76 3HD2 LEU 76 -7.921 2.594 4.712 480 HD22 LEU 76 1HD2 LEU 76 -6.352 3.437 4.706 481 HD23 LEU 76 2HD2 LEU 76 -6.695 2.146 3.528 482 H VAL 77 H VAL 77 -8.233 6.683 6.438 483 HA VAL 77 HA VAL 77 -9.762 9.059 5.822 484 HB VAL 77 HB VAL 77 -10.246 9.472 8.268 485 HG11 VAL 77 1HG1 VAL 77 -11.804 7.101 7.194 486 HG12 VAL 77 2HG1 VAL 77 -12.339 8.329 8.333 487 HG13 VAL 77 3HG1 VAL 77 -12.020 8.784 6.655 488 HG21 VAL 77 3HG2 VAL 77 -10.491 7.527 9.790 489 HG22 VAL 77 1HG2 VAL 77 -9.790 6.468 8.568 490 HG23 VAL 77 2HG2 VAL 77 -8.802 7.752 9.307 491 H GLY 78 H GLY 78 -8.701 10.884 7.465 492 HA2 GLY 78 1HA GLY 78 -6.896 11.745 8.556 493 HA3 GLY 78 2HA GLY 78 -6.124 10.151 8.493 494 H LYS 79 H LYS 79 -4.352 12.045 8.162 495 HA LYS 79 HA LYS 79 -4.132 12.749 5.284 496 HB3 LYS 79 2HB LYS 79 -2.666 14.082 7.572 497 HG3 LYS 79 2HG LYS 79 -3.851 15.316 5.051 498 HD3 LYS 79 2HD LYS 79 -1.977 16.210 7.170 499 HE3 LYS 79 2HE LYS 79 -1.239 16.516 4.215 500 HZ1 LYS 79 3HZ LYS 79 0.722 17.524 5.117 501 HZ2 LYS 79 1HZ LYS 79 0.083 17.591 6.624 502 HZ3 LYS 79 2HZ LYS 79 -0.586 18.483 5.391 503 H ASP 80 H ASP 80 -3.376 10.108 6.161 504 HA ASP 80 HA ASP 80 -0.813 9.850 4.988 505 HB3 ASP 80 2HB ASP 80 0.161 10.347 7.163 506 H THR 81 H THR 81 -0.412 7.510 4.647 507 HA THR 81 HA THR 81 -2.449 5.680 5.703 508 HB THR 81 HB THR 81 -1.775 5.602 2.762 509 HG1 THR 81 1HG THR 81 -3.945 7.096 3.871 510 HG21 THR 81 3HG2 THR 81 -4.197 4.678 4.360 511 HG22 THR 81 1HG2 THR 81 -2.842 3.646 3.849 512 HG23 THR 81 2HG2 THR 81 -3.881 4.374 2.631 513 H ARG 82 H ARG 82 -1.602 3.624 6.026 514 HA ARG 82 HA ARG 82 1.135 3.037 5.006 515 HB3 ARG 82 2HB ARG 82 1.315 1.567 7.097 516 HG3 ARG 82 2HG ARG 82 1.096 4.569 7.632 517 HD3 ARG 82 2HD ARG 82 2.894 3.837 9.363 518 HE ARG 82 HE ARG 82 0.312 4.283 9.820 519 HH11 ARG 82 1HH1 ARG 82 2.559 1.859 11.088 520 HH12 ARG 82 2HH1 ARG 82 1.629 1.566 12.529 521 HH21 ARG 82 1HH2 ARG 82 -1.067 3.679 11.626 522 HH22 ARG 82 2HH2 ARG 82 -0.471 2.510 12.778 523 H VAL 83 H VAL 83 1.417 0.537 5.140 524 HA VAL 83 HA VAL 83 -1.056 -0.958 4.538 525 HB VAL 83 HB VAL 83 1.387 -0.893 2.720 526 HG11 VAL 83 1HG1 VAL 83 -0.077 -2.295 1.217 527 HG12 VAL 83 2HG1 VAL 83 0.340 -3.091 2.740 528 HG13 VAL 83 3HG1 VAL 83 -1.266 -2.369 2.533 529 HG21 VAL 83 3HG2 VAL 83 -0.202 0.036 0.988 530 HG22 VAL 83 1HG2 VAL 83 -1.350 0.331 2.308 531 HG23 VAL 83 2HG2 VAL 83 0.213 1.164 2.282 532 H PHE 84 H PHE 84 -0.894 -2.861 5.672 533 HA PHE 84 HA PHE 84 1.839 -3.842 6.461 534 HB3 PHE 84 2HB PHE 84 0.659 -5.192 8.152 535 HD1 PHE 84 1HD PHE 84 1.978 -2.139 7.793 536 HD2 PHE 84 2HD PHE 84 -0.990 -4.076 10.217 537 HE1 PHE 84 1HE PHE 84 2.223 -0.351 9.497 538 HE2 PHE 84 2HE PHE 84 -0.624 -2.410 12.000 539 HZ PHE 84 HZ PHE 84 0.972 -0.544 11.659 540 H ILE 85 H ILE 85 2.357 -4.982 4.650 541 HA ILE 85 HA ILE 85 0.381 -6.786 3.350 542 HB ILE 85 HB ILE 85 3.392 -6.650 2.939 543 HG13 ILE 85 2HG1 ILE 85 2.380 -4.453 2.348 544 HG21 ILE 85 1HG2 ILE 85 3.054 -7.999 1.016 545 HG22 ILE 85 2HG2 ILE 85 1.987 -8.731 2.219 546 HG23 ILE 85 3HG2 ILE 85 1.298 -7.694 0.990 547 HD11 ILE 85 3HD1 ILE 85 2.993 -5.960 -0.214 548 HD12 ILE 85 1HD1 ILE 85 3.131 -4.223 0.094 549 HD13 ILE 85 2HD1 ILE 85 4.230 -5.347 0.911 550 H GLU 86 H GLU 86 0.033 -8.779 4.278 551 HA GLU 86 HA GLU 86 2.059 -10.048 5.967 552 HB3 GLU 86 2HB GLU 86 0.438 -10.490 7.796 553 HG3 GLU 86 2HG GLU 86 0.298 -7.496 7.573 554 H LEU 87 H LEU 87 0.497 -12.226 6.734 555 HA LEU 87 HA LEU 87 -0.516 -13.317 4.142 556 HB3 LEU 87 2HB LEU 87 0.446 -15.429 4.574 557 HG LEU 87 HG LEU 87 2.648 -13.445 5.309 558 HD11 LEU 87 1HD1 LEU 87 2.866 -16.321 4.351 559 HD12 LEU 87 2HD1 LEU 87 3.127 -15.785 6.017 560 HD13 LEU 87 3HD1 LEU 87 4.199 -15.212 4.746 561 HD21 LEU 87 3HD2 LEU 87 1.728 -13.028 3.062 562 HD22 LEU 87 1HD2 LEU 87 1.880 -14.751 2.664 563 HD23 LEU 87 2HD2 LEU 87 3.333 -13.759 2.945 564 H ASP 88 H ASP 88 -2.259 -14.882 4.440 565 HA ASP 88 HA ASP 88 -3.049 -15.625 7.104 566 HB3 ASP 88 2HB ASP 88 -5.086 -13.989 5.542 567 H GLU 89 H GLU 89 -5.405 -16.768 6.700 568 HA GLU 89 HA GLU 89 -6.636 -18.386 5.905 569 HB3 GLU 89 2HB GLU 89 -7.003 -18.698 3.558 570 HG3 GLU 89 2HG GLU 89 -6.638 -15.710 4.059 571 H ASN 90 H ASN 90 -3.695 -18.719 3.914 572 HA ASN 90 HA ASN 90 -3.170 -21.367 5.164 573 HB3 ASN 90 2HB ASN 90 -2.966 -22.505 3.081 574 HD21 ASN 90 1HD2 ASN 90 -5.163 -20.419 1.497 575 HD22 ASN 90 2HD2 ASN 90 -6.651 -21.236 1.961 576 H ALA 91 H ALA 91 -1.936 -18.652 5.305 577 HA ALA 91 HA ALA 91 -0.004 -17.554 5.221 578 HB1 ALA 91 1HB ALA 91 1.468 -19.994 4.167 579 HB2 ALA 91 2HB ALA 91 2.140 -18.559 4.943 580 HB3 ALA 91 3HB ALA 91 1.161 -19.693 5.896 581 H ASP 92 H ASP 92 -1.948 -17.541 3.224 582 HA ASP 92 HA ASP 92 -0.626 -17.328 0.575 583 HB3 ASP 92 2HB ASP 92 -2.927 -16.763 -0.177 584 H VAL 93 H VAL 93 -0.608 -15.164 -0.400 585 HA VAL 93 HA VAL 93 -0.083 -13.233 1.653 586 HB VAL 93 HB VAL 93 -0.032 -12.740 -1.340 587 HG11 VAL 93 1HG1 VAL 93 0.178 -10.735 0.049 588 HG12 VAL 93 2HG1 VAL 93 1.422 -11.507 1.032 589 HG13 VAL 93 3HG1 VAL 93 1.728 -11.115 -0.690 590 HG21 VAL 93 3HG2 VAL 93 1.265 -14.610 -1.278 591 HG22 VAL 93 1HG2 VAL 93 2.440 -13.331 -0.999 592 HG23 VAL 93 2HG2 VAL 93 1.866 -14.314 0.364 593 H GLN 94 H GLN 94 -1.440 -11.885 2.525 594 HA GLN 94 HA GLN 94 -3.738 -10.881 0.922 595 HB3 GLN 94 2HB GLN 94 -4.972 -10.553 2.941 596 HG3 GLN 94 2HG GLN 94 -5.526 -12.735 3.624 597 HE21 GLN 94 1HE2 GLN 94 -3.626 -14.714 1.818 598 HE22 GLN 94 2HE2 GLN 94 -4.295 -14.525 0.213 599 H VAL 95 H VAL 95 -4.315 -8.676 2.296 600 HA VAL 95 HA VAL 95 -1.869 -7.221 2.889 601 HB VAL 95 HB VAL 95 -3.866 -6.129 0.851 602 HG11 VAL 95 1HG1 VAL 95 -2.323 -4.180 0.724 603 HG12 VAL 95 2HG1 VAL 95 -3.025 -4.350 2.329 604 HG13 VAL 95 3HG1 VAL 95 -1.356 -4.885 2.049 605 HG21 VAL 95 3HG2 VAL 95 -0.919 -6.868 0.489 606 HG22 VAL 95 1HG2 VAL 95 -2.299 -7.710 -0.229 607 HG23 VAL 95 2HG2 VAL 95 -1.949 -6.059 -0.725 608 H PHE 96 H PHE 96 -2.218 -5.846 4.576 609 HA PHE 96 HA PHE 96 -4.979 -5.461 5.557 610 HB3 PHE 96 2HB PHE 96 -2.478 -6.043 7.210 611 HD1 PHE 96 1HD PHE 96 -6.003 -7.238 7.296 612 HD2 PHE 96 2HD PHE 96 -3.065 -4.731 9.178 613 HE1 PHE 96 1HE PHE 96 -7.658 -6.643 9.055 614 HE2 PHE 96 2HE PHE 96 -4.730 -4.089 10.920 615 HZ PHE 96 HZ PHE 96 -7.041 -5.004 10.823 616 H ILE 97 H ILE 97 -4.839 -3.703 7.420 617 HA ILE 97 HA ILE 97 -2.861 -1.647 6.940 618 HB ILE 97 HB ILE 97 -5.114 -0.142 6.849 619 HG13 ILE 97 2HG1 ILE 97 -6.690 -1.926 6.487 620 HG21 ILE 97 1HG2 ILE 97 -3.798 -0.894 4.279 621 HG22 ILE 97 2HG2 ILE 97 -4.492 0.683 4.829 622 HG23 ILE 97 3HG2 ILE 97 -3.022 0.051 5.566 623 HD11 ILE 97 3HD1 ILE 97 -6.925 0.377 5.316 624 HD12 ILE 97 1HD1 ILE 97 -6.407 -0.471 3.855 625 HD13 ILE 97 2HD1 ILE 97 -7.900 -0.962 4.702 626 HA PRO 98 HA PRO 98 -4.068 -0.919 11.160 627 HB3 PRO 98 2HB PRO 98 -1.828 -0.419 11.511 628 HG3 PRO 98 2HG PRO 98 -0.589 0.843 9.885 629 HD3 PRO 98 2HD PRO 98 -1.451 -0.899 8.609 630 H GLN 99 H GLN 99 -6.146 -0.399 10.186 631 HA GLN 99 HA GLN 99 -6.836 2.487 9.942 632 HB3 GLN 99 2HB GLN 99 -9.101 1.635 9.340 633 HG3 GLN 99 2HG GLN 99 -8.588 0.695 7.220 634 HE21 GLN 99 1HE2 GLN 99 -8.568 3.317 7.680 635 HE22 GLN 99 2HE2 GLN 99 -6.980 4.000 7.245 636 H GLY 100 H GLY 100 -8.931 3.143 11.119 637 HA2 GLY 100 1HA GLY 100 -8.500 2.549 14.014 638 HA3 GLY 100 2HA GLY 100 -8.630 4.171 13.321 639 H GLU 101 H GLU 101 -10.749 4.180 11.632 640 HA GLU 101 HA GLU 101 -12.826 3.919 13.616 641 HB3 GLU 101 2HB GLU 101 -12.551 5.971 12.319 642 HG3 GLU 101 2HG GLU 101 -13.358 4.254 9.940 643 H ILE 102 H ILE 102 -11.780 1.482 12.278 644 HA ILE 102 HA ILE 102 -13.836 0.451 10.531 645 HB ILE 102 HB ILE 102 -11.607 0.032 9.962 646 HG13 ILE 102 2HG1 ILE 102 -13.461 -1.821 9.882 647 HG21 ILE 102 1HG2 ILE 102 -11.083 -1.244 12.682 648 HG22 ILE 102 2HG2 ILE 102 -9.971 -1.256 11.310 649 HG23 ILE 102 3HG2 ILE 102 -10.389 0.269 12.077 650 HD11 ILE 102 3HD1 ILE 102 -10.532 -2.513 9.496 651 HD12 ILE 102 1HD1 ILE 102 -11.911 -3.375 8.793 652 HD13 ILE 102 2HD1 ILE 102 -11.575 -1.705 8.316 653 H ASP 103 H ASP 103 -15.574 0.672 11.869 654 HA ASP 103 HA ASP 103 -16.118 -1.639 13.603 655 HB3 ASP 103 2HB ASP 103 -15.959 1.031 14.627 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -0.971 30.993 -2.612 2 HA2 GLY 1 1HA GLY 1 1.160 30.124 -3.447 3 HA3 GLY 1 2HA GLY 1 0.753 29.382 -1.881 4 H ALA 2 H ALA 2 2.467 28.056 -3.632 5 HA ALA 2 HA ALA 2 1.179 26.297 -5.464 6 HB1 ALA 2 1HB ALA 2 3.598 26.723 -5.488 7 HB2 ALA 2 2HB ALA 2 3.778 25.945 -3.897 8 HB3 ALA 2 3HB ALA 2 3.279 24.989 -5.308 9 H GLN 3 H GLN 3 0.381 24.278 -5.213 10 HA GLN 3 HA GLN 3 -0.646 23.484 -2.579 11 HB3 GLN 3 2HB GLN 3 -1.709 21.656 -4.095 12 HG3 GLN 3 2HG GLN 3 -3.139 23.530 -5.286 13 HE21 GLN 3 1HE2 GLN 3 -2.529 24.448 -1.887 14 HE22 GLN 3 2HE2 GLN 3 -3.695 23.342 -1.187 15 H ASP 4 H ASP 4 2.331 23.303 -3.426 16 HA ASP 4 HA ASP 4 2.843 20.490 -2.649 17 HB3 ASP 4 2HB ASP 4 4.950 20.768 -4.082 18 H GLY 5 H GLY 5 2.308 22.735 -1.087 19 HA2 GLY 5 1HA GLY 5 4.824 23.893 -0.132 20 HA3 GLY 5 2HA GLY 5 3.174 24.319 0.372 21 H LYS 6 H LYS 6 2.065 22.960 1.921 22 HA LYS 6 HA LYS 6 3.325 20.490 2.784 23 HB3 LYS 6 2HB LYS 6 2.774 22.544 4.967 24 HG3 LYS 6 2HG LYS 6 4.567 20.096 4.997 25 HD3 LYS 6 2HD LYS 6 4.824 21.823 6.855 26 HE3 LYS 6 2HE LYS 6 1.960 20.919 7.338 27 HZ1 LYS 6 3HZ LYS 6 3.117 20.697 9.455 28 HZ2 LYS 6 1HZ LYS 6 2.137 21.996 9.488 29 HZ3 LYS 6 2HZ LYS 6 3.757 22.182 9.329 30 H GLU 7 H GLU 7 1.251 20.192 1.421 31 HA GLU 7 HA GLU 7 -1.097 20.071 3.193 32 HB3 GLU 7 2HB GLU 7 -1.510 21.102 0.393 33 HG3 GLU 7 2HG GLU 7 -2.536 22.112 3.084 34 H THR 8 H THR 8 0.605 17.950 2.379 35 HA THR 8 HA THR 8 -1.010 16.453 0.350 36 HB THR 8 HB THR 8 1.453 15.558 -0.221 37 HG1 THR 8 1HG THR 8 2.247 17.099 1.449 38 HG21 THR 8 3HG2 THR 8 0.049 16.528 -1.900 39 HG22 THR 8 1HG2 THR 8 1.592 17.395 -1.954 40 HG23 THR 8 2HG2 THR 8 0.171 18.138 -1.188 41 H THR 9 H THR 9 -0.919 14.129 0.335 42 HA THR 9 HA THR 9 -0.529 12.961 2.996 43 HB THR 9 HB THR 9 -1.428 10.937 1.312 44 HG1 THR 9 1HG THR 9 -1.851 12.301 -0.396 45 HG21 THR 9 3HG2 THR 9 -2.280 11.452 3.526 46 HG22 THR 9 1HG2 THR 9 -3.605 11.286 2.348 47 HG23 THR 9 2HG2 THR 9 -3.113 12.900 2.883 48 H THR 10 H THR 10 1.056 11.599 3.578 49 HA THR 10 HA THR 10 2.985 10.535 1.647 50 HB THR 10 HB THR 10 2.582 10.050 4.634 51 HG1 THR 10 1HG THR 10 2.951 12.117 4.429 52 HG21 THR 10 3HG2 THR 10 4.033 8.377 3.815 53 HG22 THR 10 1HG2 THR 10 5.065 9.570 4.565 54 HG23 THR 10 2HG2 THR 10 4.952 9.517 2.789 55 H ILE 11 H ILE 11 3.092 8.326 0.992 56 HA ILE 11 HA ILE 11 1.009 6.544 2.055 57 HB ILE 11 HB ILE 11 2.290 6.477 -0.691 58 HG13 ILE 11 2HG1 ILE 11 0.429 8.140 -0.387 59 HG21 ILE 11 1HG2 ILE 11 2.020 4.145 0.121 60 HG22 ILE 11 2HG2 ILE 11 0.314 4.486 0.504 61 HG23 ILE 11 3HG2 ILE 11 0.912 4.491 -1.172 62 HD11 ILE 11 3HD1 ILE 11 -0.881 7.570 -2.259 63 HD12 ILE 11 1HD1 ILE 11 0.790 7.065 -2.611 64 HD13 ILE 11 2HD1 ILE 11 -0.463 5.868 -2.180 65 H ARG 12 H ARG 12 2.103 4.261 2.229 66 HA ARG 12 HA ARG 12 4.964 4.205 2.162 67 HB3 ARG 12 2HB ARG 12 3.518 4.375 4.800 68 HG3 ARG 12 2HG ARG 12 4.874 2.225 4.515 69 HD3 ARG 12 2HD ARG 12 6.793 3.265 3.884 70 HE ARG 12 HE ARG 12 6.842 4.520 6.426 71 HH11 ARG 12 1HH1 ARG 12 9.149 2.521 4.593 72 HH12 ARG 12 2HH1 ARG 12 10.541 3.342 5.160 73 HH21 ARG 12 1HH2 ARG 12 8.643 5.754 7.009 74 HH22 ARG 12 2HH2 ARG 12 10.239 5.240 6.587 75 H LEU 13 H LEU 13 5.583 2.119 1.728 76 HA LEU 13 HA LEU 13 3.567 -0.053 2.034 77 HB3 LEU 13 2HB LEU 13 5.397 -1.147 0.407 78 HG LEU 13 HG LEU 13 4.179 -0.286 -1.600 79 HD11 LEU 13 1HD1 LEU 13 3.488 -2.325 -0.586 80 HD12 LEU 13 2HD1 LEU 13 2.013 -1.393 -0.929 81 HD13 LEU 13 3HD1 LEU 13 2.656 -1.489 0.718 82 HD21 LEU 13 3HD2 LEU 13 2.213 1.054 -1.433 83 HD22 LEU 13 1HD2 LEU 13 3.527 1.960 -0.659 84 HD23 LEU 13 2HD2 LEU 13 2.308 1.127 0.324 85 H ILE 14 H ILE 14 4.107 -1.758 3.401 86 HA ILE 14 HA ILE 14 6.893 -2.074 4.303 87 HB ILE 14 HB ILE 14 4.404 -2.550 5.988 88 HG13 ILE 14 2HG1 ILE 14 6.057 0.006 5.844 89 HG21 ILE 14 1HG2 ILE 14 7.281 -2.083 6.861 90 HG22 ILE 14 2HG2 ILE 14 5.930 -2.758 7.807 91 HG23 ILE 14 3HG2 ILE 14 6.658 -3.680 6.489 92 HD11 ILE 14 3HD1 ILE 14 3.053 -0.468 6.194 93 HD12 ILE 14 1HD1 ILE 14 3.854 1.075 6.414 94 HD13 ILE 14 2HD1 ILE 14 3.818 0.304 4.817 95 H ASN 15 H ASN 15 7.583 -4.180 4.120 96 HA ASN 15 HA ASN 15 5.702 -6.111 2.867 97 HB3 ASN 15 2HB ASN 15 8.728 -6.047 2.676 98 HD21 ASN 15 1HD2 ASN 15 9.355 -7.808 1.521 99 HD22 ASN 15 2HD2 ASN 15 8.312 -8.847 0.569 100 H GLN 16 H GLN 16 5.066 -6.660 5.234 101 HA GLN 16 HA GLN 16 7.204 -7.786 6.925 102 HB3 GLN 16 2HB GLN 16 5.654 -7.664 8.701 103 HG3 GLN 16 2HG GLN 16 4.942 -5.245 6.994 104 HE21 GLN 16 1HE2 GLN 16 2.951 -5.921 8.744 105 HE22 GLN 16 2HE2 GLN 16 3.091 -4.975 10.189 106 H THR 17 H THR 17 7.318 -9.337 5.028 107 HA THR 17 HA THR 17 5.734 -11.804 5.586 108 HB THR 17 HB THR 17 5.808 -12.019 3.032 109 HG1 THR 17 1HG THR 17 7.169 -10.127 2.666 110 HG21 THR 17 3HG2 THR 17 3.779 -11.579 4.401 111 HG22 THR 17 1HG2 THR 17 3.697 -10.864 2.796 112 HG23 THR 17 2HG2 THR 17 4.059 -9.829 4.191 113 H TYR 18 H TYR 18 6.609 -13.591 4.253 114 HA TYR 18 HA TYR 18 9.511 -13.926 4.774 115 HB3 TYR 18 2HB TYR 18 8.112 -15.539 5.787 116 HD1 TYR 18 1HD TYR 18 7.760 -16.574 2.150 117 HD2 TYR 18 2HD TYR 18 5.779 -15.761 5.875 118 HE1 TYR 18 1HE TYR 18 5.699 -17.561 1.246 119 HE2 TYR 18 2HE TYR 18 3.717 -16.792 5.021 120 HH TYR 18 HH TYR 18 2.567 -17.549 2.869 121 H PHE 19 H PHE 19 8.249 -12.533 2.244 122 HA PHE 19 HA PHE 19 10.073 -13.867 0.336 123 HB3 PHE 19 2HB PHE 19 7.949 -14.770 -0.272 124 HD1 PHE 19 2HD PHE 19 7.419 -11.024 -0.807 125 HD2 PHE 19 1HD PHE 19 5.692 -14.833 0.311 126 HE1 PHE 19 2HE PHE 19 5.324 -9.909 -0.231 127 HE2 PHE 19 1HE PHE 19 3.594 -13.682 0.842 128 HZ PHE 19 HZ PHE 19 3.391 -11.223 0.562 129 H ASN 20 H ASN 20 10.353 -12.459 -1.566 130 HA ASN 20 HA ASN 20 10.584 -9.548 -0.958 131 HB3 ASN 20 2HB ASN 20 11.711 -11.407 -3.087 132 HD21 ASN 20 1HD2 ASN 20 11.642 -10.318 -5.097 133 HD22 ASN 20 2HD2 ASN 20 12.077 -8.618 -5.251 134 H VAL 21 H VAL 21 9.696 -8.070 -2.576 135 HA VAL 21 HA VAL 21 7.920 -9.209 -4.656 136 HB VAL 21 HB VAL 21 6.301 -7.428 -4.303 137 HG11 VAL 21 1HG1 VAL 21 5.275 -8.192 -2.164 138 HG12 VAL 21 2HG1 VAL 21 5.846 -9.538 -3.158 139 HG13 VAL 21 3HG1 VAL 21 6.777 -9.000 -1.741 140 HG21 VAL 21 3HG2 VAL 21 7.745 -5.719 -3.179 141 HG22 VAL 21 1HG2 VAL 21 6.301 -6.078 -2.200 142 HG23 VAL 21 2HG2 VAL 21 7.856 -6.764 -1.749 143 H LYS 22 H LYS 22 7.731 -7.732 -6.493 144 HA LYS 22 HA LYS 22 9.918 -5.713 -6.794 145 HB3 LYS 22 2HB LYS 22 10.961 -7.913 -7.185 146 HG3 LYS 22 2HG LYS 22 9.996 -8.842 -9.573 147 HD3 LYS 22 2HD LYS 22 9.067 -9.714 -6.791 148 HE3 LYS 22 2HE LYS 22 7.469 -10.399 -8.550 149 HZ1 LYS 22 3HZ LYS 22 9.009 -10.639 -10.445 150 HZ2 LYS 22 1HZ LYS 22 8.238 -12.061 -10.132 151 HZ3 LYS 22 2HZ LYS 22 9.788 -11.873 -9.669 152 H ASN 23 H ASN 23 7.015 -5.455 -6.888 153 HA ASN 23 HA ASN 23 6.552 -4.081 -9.248 154 HB3 ASN 23 2HB ASN 23 6.676 -6.016 -10.662 155 HD21 ASN 23 1HD2 ASN 23 4.723 -6.990 -7.877 156 HD22 ASN 23 2HD2 ASN 23 5.331 -8.664 -7.821 157 H ILE 24 H ILE 24 5.819 -3.218 -6.969 158 HA ILE 24 HA ILE 24 3.097 -4.271 -6.256 159 HB ILE 24 HB ILE 24 4.404 -2.004 -4.783 160 HG13 ILE 24 2HG1 ILE 24 6.145 -3.793 -4.844 161 HG21 ILE 24 1HG2 ILE 24 2.990 -2.812 -2.968 162 HG22 ILE 24 2HG2 ILE 24 2.014 -2.624 -4.417 163 HG23 ILE 24 3HG2 ILE 24 2.530 -4.246 -3.909 164 HD11 ILE 24 3HD1 ILE 24 6.675 -3.781 -2.633 165 HD12 ILE 24 1HD1 ILE 24 5.682 -2.335 -2.785 166 HD13 ILE 24 2HD1 ILE 24 4.984 -3.820 -2.080 167 H LYS 25 H LYS 25 1.487 -3.353 -7.519 168 HA LYS 25 HA LYS 25 1.789 -0.588 -8.536 169 HB3 LYS 25 2HB LYS 25 -0.907 -1.651 -8.711 170 HG3 LYS 25 2HG LYS 25 -0.396 -1.667 -11.208 171 HD3 LYS 25 2HD LYS 25 0.107 0.849 -11.375 172 HE3 LYS 25 2HE LYS 25 -2.055 1.503 -10.196 173 HZ1 LYS 25 3HZ LYS 25 -1.806 0.077 -12.440 174 HZ2 LYS 25 1HZ LYS 25 -3.195 0.779 -11.864 175 HZ3 LYS 25 2HZ LYS 25 -2.878 -0.826 -11.575 176 H VAL 26 H VAL 26 0.930 1.125 -7.441 177 HA VAL 26 HA VAL 26 -0.640 0.612 -4.976 178 HB VAL 26 HB VAL 26 1.542 2.679 -5.530 179 HG11 VAL 26 1HG1 VAL 26 0.001 3.593 -3.961 180 HG12 VAL 26 2HG1 VAL 26 -0.049 2.089 -3.009 181 HG13 VAL 26 3HG1 VAL 26 1.412 3.082 -3.060 182 HG21 VAL 26 3HG2 VAL 26 2.817 1.240 -3.795 183 HG22 VAL 26 1HG2 VAL 26 1.639 -0.020 -4.153 184 HG23 VAL 26 2HG2 VAL 26 2.687 0.656 -5.432 185 H THR 27 H THR 27 -2.459 1.989 -4.773 186 HA THR 27 HA THR 27 -2.917 4.080 -6.807 187 HB THR 27 HB THR 27 -4.658 1.629 -6.346 188 HG1 THR 27 1HG THR 27 -2.495 2.007 -7.967 189 HG21 THR 27 3HG2 THR 27 -5.880 3.529 -7.240 190 HG22 THR 27 1HG2 THR 27 -5.745 2.235 -8.445 191 HG23 THR 27 2HG2 THR 27 -4.686 3.644 -8.566 192 H TRP 28 H TRP 28 -4.238 5.683 -5.897 193 HA TRP 28 HA TRP 28 -5.480 5.204 -3.226 194 HB3 TRP 28 2HB TRP 28 -3.194 5.837 -2.785 195 HD1 TRP 28 HD TRP 28 -3.864 9.458 -3.428 196 HE1 TRP 28 1HE TRP 28 -2.149 10.438 -5.027 197 HE3 TRP 28 3HE TRP 28 -1.500 5.155 -4.721 198 HZ2 TRP 28 2HZ TRP 28 -0.169 9.440 -6.885 199 HZ3 TRP 28 3HZ TRP 28 0.415 5.196 -6.283 200 HH2 TRP 28 HH TRP 28 1.110 7.322 -7.374 201 H ASN 29 H ASN 29 -6.509 5.756 -5.963 202 HA ASN 29 HA ASN 29 -8.618 7.376 -5.310 203 HB3 ASN 29 2HB ASN 29 -7.388 9.029 -7.460 204 HD21 ASN 29 1HD2 ASN 29 -7.696 9.821 -4.033 205 HD22 ASN 29 2HD2 ASN 29 -9.195 10.610 -4.018 206 H ASP 30 H ASP 30 -9.097 8.295 -8.186 207 HA ASP 30 HA ASP 30 -9.760 5.633 -9.282 208 HB3 ASP 30 2HB ASP 30 -10.908 7.957 -10.658 209 H GLY 31 H GLY 31 -7.007 7.134 -9.508 210 HA2 GLY 31 1HA GLY 31 -6.287 5.986 -11.899 211 HA3 GLY 31 2HA GLY 31 -6.613 7.656 -12.351 212 H LYS 32 H LYS 32 -5.430 8.297 -9.394 213 HA LYS 32 HA LYS 32 -2.684 8.627 -10.107 214 HB3 LYS 32 2HB LYS 32 -3.280 8.779 -7.262 215 HG3 LYS 32 2HG LYS 32 -1.593 10.145 -8.536 216 HD3 LYS 32 2HD LYS 32 -4.107 11.509 -9.505 217 HE3 LYS 32 2HE LYS 32 -1.231 12.475 -9.648 218 HZ1 LYS 32 3HZ LYS 32 -3.626 13.434 -11.060 219 HZ2 LYS 32 1HZ LYS 32 -2.205 12.880 -11.734 220 HZ3 LYS 32 2HZ LYS 32 -2.254 14.307 -10.920 221 H GLU 33 H GLU 33 -1.361 6.966 -10.268 222 HA GLU 33 HA GLU 33 -1.110 5.031 -8.114 223 HB3 GLU 33 2HB GLU 33 -2.665 3.770 -9.225 224 HG3 GLU 33 2HG GLU 33 -1.509 3.531 -11.912 225 H GLN 34 H GLN 34 0.760 3.725 -8.383 226 HA GLN 34 HA GLN 34 2.823 4.549 -10.260 227 HB3 GLN 34 2HB GLN 34 2.902 6.328 -8.498 228 HG3 GLN 34 2HG GLN 34 2.473 4.736 -6.494 229 HE21 GLN 34 1HE2 GLN 34 6.006 5.225 -7.083 230 HE22 GLN 34 2HE2 GLN 34 6.427 3.553 -6.683 231 H THR 35 H THR 35 5.001 3.257 -9.479 232 HA THR 35 HA THR 35 4.101 0.669 -8.362 233 HB THR 35 HB THR 35 5.551 -0.472 -9.985 234 HG1 THR 35 1HG THR 35 6.853 1.501 -10.318 235 HG21 THR 35 3HG2 THR 35 3.629 1.419 -11.386 236 HG22 THR 35 1HG2 THR 35 3.108 0.031 -10.430 237 HG23 THR 35 2HG2 THR 35 4.097 -0.224 -11.892 238 H VAL 36 H VAL 36 5.334 -0.163 -6.790 239 HA VAL 36 HA VAL 36 7.817 1.186 -5.951 240 HB VAL 36 HB VAL 36 6.543 -1.407 -4.982 241 HG11 VAL 36 1HG1 VAL 36 8.719 0.328 -3.758 242 HG12 VAL 36 2HG1 VAL 36 7.952 -1.056 -2.958 243 HG13 VAL 36 3HG1 VAL 36 8.928 -1.311 -4.403 244 HG21 VAL 36 3HG2 VAL 36 5.007 0.418 -4.508 245 HG22 VAL 36 1HG2 VAL 36 5.867 0.044 -3.002 246 HG23 VAL 36 2HG2 VAL 36 6.339 1.447 -3.979 247 H ASN 37 H ASN 37 9.792 0.509 -6.539 248 HA ASN 37 HA ASN 37 10.299 -1.278 -8.698 249 HB3 ASN 37 2HB ASN 37 12.158 -0.193 -6.520 250 HD21 ASN 37 1HD2 ASN 37 13.913 -1.652 -6.418 251 HD22 ASN 37 2HD2 ASN 37 14.695 -2.321 -7.835 252 H THR 38 H THR 38 11.661 -1.831 -5.370 253 HA THR 38 HA THR 38 10.544 -4.529 -5.362 254 HB THR 38 HB THR 38 13.525 -3.942 -5.285 255 HG1 THR 38 1HG THR 38 13.053 -3.730 -7.359 256 HG21 THR 38 3HG2 THR 38 12.125 -6.613 -5.581 257 HG22 THR 38 1HG2 THR 38 12.917 -6.030 -4.090 258 HG23 THR 38 2HG2 THR 38 13.875 -6.330 -5.551 259 H LEU 39 H LEU 39 10.768 -5.535 -3.291 260 HA LEU 39 HA LEU 39 11.569 -3.929 -0.995 261 HB3 LEU 39 2HB LEU 39 8.876 -5.071 -0.582 262 HG LEU 39 HG LEU 39 9.471 -3.422 1.039 263 HD11 LEU 39 1HD1 LEU 39 11.176 -2.074 -0.182 264 HD12 LEU 39 2HD1 LEU 39 9.917 -1.036 0.434 265 HD13 LEU 39 3HD1 LEU 39 9.926 -1.482 -1.285 266 HD21 LEU 39 3HD2 LEU 39 7.542 -2.088 -0.856 267 HD22 LEU 39 1HD2 LEU 39 7.657 -1.909 0.912 268 HD23 LEU 39 2HD2 LEU 39 7.133 -3.447 0.206 269 H GLY 40 H GLY 40 12.805 -5.266 -0.009 270 HA2 GLY 40 1HA GLY 40 12.876 -8.142 -0.349 271 HA3 GLY 40 2HA GLY 40 13.787 -7.139 0.808 272 H SER 41 H SER 41 12.889 -9.516 1.848 273 HA SER 41 HA SER 41 10.326 -9.388 3.111 274 HB3 SER 41 2HB SER 41 11.129 -11.508 3.235 275 HG SER 41 HG SER 41 13.490 -11.815 3.806 276 H HIS 42 H HIS 42 9.699 -8.187 4.767 277 HA HIS 42 HA HIS 42 9.543 -6.585 6.233 278 HB3 HIS 42 2HB HIS 42 11.367 -6.468 8.055 279 HD1 HIS 42 1HD HIS 42 9.317 -6.805 9.691 280 HD2 HIS 42 2HD HIS 42 9.992 -9.984 7.006 281 HE1 HIS 42 1HE HIS 42 7.908 -8.726 10.500 282 H ASP 43 H ASP 43 11.031 -6.019 3.615 283 HA ASP 43 HA ASP 43 12.452 -3.550 4.249 284 HB3 ASP 43 2HB ASP 43 11.217 -4.281 1.580 285 H SER 44 H SER 44 11.602 -1.663 3.141 286 HA SER 44 HA SER 44 8.759 -1.199 3.005 287 HB3 SER 44 2HB SER 44 8.882 -1.201 5.447 288 HG SER 44 HG SER 44 10.099 0.671 6.394 289 H ILE 45 H ILE 45 8.188 1.043 2.483 290 HA ILE 45 HA ILE 45 10.294 2.999 2.131 291 HB ILE 45 HB ILE 45 10.726 1.733 0.108 292 HG13 ILE 45 2HG1 ILE 45 10.901 4.197 0.166 293 HG21 ILE 45 1HG2 ILE 45 8.457 0.652 -0.163 294 HG22 ILE 45 2HG2 ILE 45 7.848 2.194 -0.773 295 HG23 ILE 45 3HG2 ILE 45 9.119 1.329 -1.654 296 HD11 ILE 45 3HD1 ILE 45 11.041 4.605 -2.142 297 HD12 ILE 45 1HD1 ILE 45 11.561 2.933 -1.859 298 HD13 ILE 45 2HD1 ILE 45 9.945 3.268 -2.552 299 H ASP 46 H ASP 46 9.547 4.983 2.149 300 HA ASP 46 HA ASP 46 6.636 5.431 2.305 301 HB3 ASP 46 2HB ASP 46 7.572 5.974 4.393 302 H PHE 47 H PHE 47 6.018 5.988 0.520 303 HA PHE 47 HA PHE 47 7.450 8.349 -0.808 304 HB3 PHE 47 2HB PHE 47 8.016 6.606 -2.311 305 HD1 PHE 47 1HD PHE 47 4.508 6.996 -3.478 306 HD2 PHE 47 2HD PHE 47 7.451 4.334 -1.792 307 HE1 PHE 47 1HE PHE 47 2.928 5.070 -3.734 308 HE2 PHE 47 2HE PHE 47 5.836 2.439 -1.978 309 HZ PHE 47 HZ PHE 47 3.587 2.850 -2.868 310 H SER 48 H SER 48 6.144 9.831 -2.019 311 HA SER 48 HA SER 48 3.858 10.471 -0.370 312 HB3 SER 48 2HB SER 48 5.164 12.025 -2.627 313 HG SER 48 HG SER 48 4.119 12.883 -0.133 314 H SER 49 H SER 49 2.141 11.948 -1.795 315 HA SER 49 HA SER 49 1.245 10.444 -4.150 316 HB3 SER 49 2HB SER 49 -0.157 9.672 -2.322 317 HG SER 49 HG SER 49 0.242 11.550 -0.913 318 H ASP 50 H ASP 50 0.278 11.837 -5.688 319 HA ASP 50 HA ASP 50 0.639 14.705 -5.481 320 HB3 ASP 50 2HB ASP 50 -1.105 13.193 -7.416 321 H ALA 51 H ALA 51 -1.030 13.574 -3.277 322 HA ALA 51 HA ALA 51 -3.688 14.751 -3.898 323 HB1 ALA 51 1HB ALA 51 -3.096 12.172 -2.376 324 HB2 ALA 51 2HB ALA 51 -4.693 12.893 -2.662 325 HB3 ALA 51 3HB ALA 51 -3.750 12.278 -4.031 326 H GLY 52 H GLY 52 -4.756 15.598 -2.158 327 HA2 GLY 52 1HA GLY 52 -3.103 16.480 0.133 328 HA3 GLY 52 2HA GLY 52 -4.691 17.107 -0.328 329 H SER 53 H SER 53 -5.853 14.341 -0.635 330 HA SER 53 HA SER 53 -5.493 13.059 1.910 331 HB3 SER 53 2HB SER 53 -7.057 14.513 2.852 332 HG SER 53 HG SER 53 -9.148 14.866 1.665 333 H VAL 54 H VAL 54 -6.409 10.989 1.935 334 HA VAL 54 HA VAL 54 -7.295 9.907 -0.710 335 HB VAL 54 HB VAL 54 -5.421 8.702 1.397 336 HG11 VAL 54 1HG1 VAL 54 -6.370 7.550 -1.267 337 HG12 VAL 54 2HG1 VAL 54 -5.090 6.868 -0.254 338 HG13 VAL 54 3HG1 VAL 54 -6.733 6.928 0.357 339 HG21 VAL 54 3HG2 VAL 54 -3.677 8.807 -0.371 340 HG22 VAL 54 1HG2 VAL 54 -4.817 9.708 -1.409 341 HG23 VAL 54 2HG2 VAL 54 -4.232 10.409 0.107 342 H TYR 55 H TYR 55 -9.123 8.621 -0.548 343 HA TYR 55 HA TYR 55 -9.997 7.689 2.138 344 HB3 TYR 55 2HB TYR 55 -11.230 9.550 1.856 345 HD1 TYR 55 1HD TYR 55 -11.821 7.628 -1.383 346 HD2 TYR 55 2HD TYR 55 -11.864 11.424 0.672 347 HE1 TYR 55 1HE TYR 55 -12.250 8.786 -3.528 348 HE2 TYR 55 2HE TYR 55 -12.348 12.562 -1.416 349 HH TYR 55 HH TYR 55 -12.874 12.320 -3.656 350 H LYS 56 H LYS 56 -8.816 6.522 -0.646 351 HA LYS 56 HA LYS 56 -10.104 3.938 -0.408 352 HB3 LYS 56 2HB LYS 56 -11.605 5.001 -2.010 353 HG3 LYS 56 2HG LYS 56 -9.221 5.467 -3.873 354 HD3 LYS 56 2HD LYS 56 -10.890 6.856 -5.126 355 HE3 LYS 56 2HE LYS 56 -11.788 3.981 -4.734 356 HZ1 LYS 56 3HZ LYS 56 -12.185 5.350 -7.271 357 HZ2 LYS 56 1HZ LYS 56 -13.198 5.772 -6.035 358 HZ3 LYS 56 2HZ LYS 56 -13.080 4.211 -6.535 359 H MET 57 H MET 57 -8.722 2.320 -1.298 360 HA MET 57 HA MET 57 -6.179 3.207 -2.440 361 HB3 MET 57 2HB MET 57 -6.287 1.897 0.307 362 HG3 MET 57 2HG MET 57 -4.127 1.975 -1.776 363 HE1 MET 57 3HE MET 57 -3.566 4.631 -0.699 364 HE2 MET 57 1HE MET 57 -1.864 4.521 -0.209 365 HE3 MET 57 2HE MET 57 -2.408 3.709 -1.691 366 H ASP 58 H ASP 58 -5.506 1.750 -3.873 367 HA ASP 58 HA ASP 58 -6.785 -0.957 -3.913 368 HB3 ASP 58 2HB ASP 58 -6.132 -0.399 -6.514 369 H VAL 59 H VAL 59 -5.155 -2.214 -3.133 370 HA VAL 59 HA VAL 59 -2.411 -1.772 -4.190 371 HB VAL 59 HB VAL 59 -3.267 -3.682 -1.984 372 HG11 VAL 59 1HG1 VAL 59 -1.210 -4.341 -2.949 373 HG12 VAL 59 2HG1 VAL 59 -0.615 -2.696 -3.086 374 HG13 VAL 59 3HG1 VAL 59 -0.761 -3.470 -1.478 375 HG21 VAL 59 3HG2 VAL 59 -3.861 -1.593 -1.092 376 HG22 VAL 59 1HG2 VAL 59 -2.259 -1.907 -0.442 377 HG23 VAL 59 2HG2 VAL 59 -2.473 -0.758 -1.792 378 H THR 60 H THR 60 -1.457 -3.337 -5.507 379 HA THR 60 HA THR 60 -2.467 -6.003 -5.589 380 HB THR 60 HB THR 60 -4.055 -5.476 -7.131 381 HG1 THR 60 1HG THR 60 -3.309 -5.987 -9.179 382 HG21 THR 60 3HG2 THR 60 -3.939 -3.855 -8.890 383 HG22 THR 60 1HG2 THR 60 -2.324 -3.332 -8.299 384 HG23 THR 60 2HG2 THR 60 -3.779 -3.139 -7.289 385 H GLY 61 H GLY 61 -0.651 -7.173 -5.658 386 HA2 GLY 61 1HA GLY 61 1.682 -6.269 -7.208 387 HA3 GLY 61 2HA GLY 61 1.917 -6.324 -5.448 388 H THR 62 H THR 62 3.593 -8.013 -6.682 389 HA THR 62 HA THR 62 2.363 -10.641 -6.294 390 HB THR 62 HB THR 62 4.079 -10.008 -8.716 391 HG1 THR 62 1HG THR 62 1.322 -9.781 -8.278 392 HG21 THR 62 3HG2 THR 62 3.840 -12.407 -8.021 393 HG22 THR 62 1HG2 THR 62 3.254 -12.053 -9.654 394 HG23 THR 62 2HG2 THR 62 2.098 -12.292 -8.328 395 H THR 63 H THR 63 3.686 -12.143 -5.440 396 HA THR 63 HA THR 63 6.128 -11.281 -4.138 397 HB THR 63 HB THR 63 6.050 -13.354 -3.039 398 HG1 THR 63 1HG THR 63 5.017 -15.090 -3.737 399 HG21 THR 63 3HG2 THR 63 3.092 -12.842 -3.579 400 HG22 THR 63 1HG2 THR 63 4.092 -11.861 -2.484 401 HG23 THR 63 2HG2 THR 63 3.852 -13.592 -2.178 402 H GLN 64 H GLN 64 8.058 -12.704 -4.127 403 HA GLN 64 HA GLN 64 9.455 -13.008 -6.462 404 HB3 GLN 64 2HB GLN 64 9.647 -15.043 -4.226 405 HG3 GLN 64 2HG GLN 64 11.350 -14.718 -6.269 406 HE21 GLN 64 1HE2 GLN 64 13.578 -13.844 -3.980 407 HE22 GLN 64 2HE2 GLN 64 13.786 -12.139 -4.307 408 H SER 65 H SER 65 7.165 -15.351 -4.985 409 HA SER 65 HA SER 65 7.824 -17.450 -6.891 410 HB3 SER 65 2HB SER 65 5.413 -17.423 -5.060 411 HG SER 65 HG SER 65 7.259 -19.514 -5.368 412 H GLY 66 H GLY 66 6.053 -14.592 -7.317 413 HA2 GLY 66 1HA GLY 66 4.714 -14.048 -9.120 414 HA3 GLY 66 2HA GLY 66 4.590 -15.737 -9.574 415 H GLU 67 H GLU 67 3.812 -15.143 -6.158 416 HA GLU 67 HA GLU 67 0.988 -15.756 -6.715 417 HB3 GLU 67 2HB GLU 67 0.838 -15.382 -4.170 418 HG3 GLU 67 2HG GLU 67 2.598 -17.570 -5.321 419 H LYS 68 H LYS 68 -0.622 -14.217 -6.625 420 HA LYS 68 HA LYS 68 0.302 -11.406 -6.647 421 HB3 LYS 68 2HB LYS 68 -2.369 -12.601 -7.508 422 HG3 LYS 68 2HG LYS 68 -1.004 -9.920 -7.878 423 HD3 LYS 68 2HD LYS 68 -3.342 -10.980 -9.485 424 HE3 LYS 68 2HE LYS 68 -2.058 -8.263 -9.119 425 HZ1 LYS 68 3HZ LYS 68 -3.342 -7.597 -11.041 426 HZ2 LYS 68 1HZ LYS 68 -3.715 -9.141 -11.400 427 HZ3 LYS 68 2HZ LYS 68 -2.126 -8.657 -11.454 428 H PHE 69 H PHE 69 -0.681 -9.954 -5.265 429 HA PHE 69 HA PHE 69 -2.682 -10.934 -3.300 430 HB3 PHE 69 2HB PHE 69 -0.624 -11.073 -2.153 431 HD1 PHE 69 1HD PHE 69 -0.654 -7.354 -2.282 432 HD2 PHE 69 2HD PHE 69 1.555 -10.936 -3.209 433 HE1 PHE 69 1HE PHE 69 1.385 -5.996 -2.607 434 HE2 PHE 69 2HE PHE 69 3.589 -9.581 -3.536 435 HZ PHE 69 HZ PHE 69 3.525 -7.100 -3.242 436 H THR 70 H THR 70 -4.138 -9.266 -2.605 437 HA THR 70 HA THR 70 -3.857 -6.675 -3.983 438 HB THR 70 HB THR 70 -6.238 -6.773 -4.567 439 HG1 THR 70 1HG THR 70 -6.083 -9.571 -4.001 440 HG21 THR 70 3HG2 THR 70 -4.524 -7.250 -6.253 441 HG22 THR 70 1HG2 THR 70 -6.051 -8.083 -6.577 442 HG23 THR 70 2HG2 THR 70 -4.675 -8.991 -5.918 443 H GLY 71 H GLY 71 -5.147 -5.053 -3.126 444 HA2 GLY 71 1HA GLY 71 -5.836 -5.386 -0.217 445 HA3 GLY 71 2HA GLY 71 -5.378 -3.876 -1.028 446 H HIS 72 H HIS 72 -6.915 -3.276 -2.882 447 HA HIS 72 HA HIS 72 -8.827 -2.171 -3.242 448 HB3 HIS 72 2HB HIS 72 -10.700 -3.520 -3.867 449 HD1 HIS 72 1HD HIS 72 -8.801 -2.861 -5.974 450 HD2 HIS 72 2HD HIS 72 -8.913 -6.724 -4.235 451 HE1 HIS 72 1HE HIS 72 -7.690 -4.414 -7.590 452 H PHE 73 H PHE 73 -8.756 -0.831 -1.426 453 HA PHE 73 HA PHE 73 -10.509 -1.543 0.872 454 HB3 PHE 73 2HB PHE 73 -9.049 -0.066 2.143 455 HD1 PHE 73 2HD PHE 73 -9.154 -2.725 2.581 456 HD2 PHE 73 1HD PHE 73 -6.095 -0.678 0.345 457 HE1 PHE 73 2HE PHE 73 -7.521 -4.550 3.122 458 HE2 PHE 73 1HE PHE 73 -4.452 -2.471 0.967 459 HZ PHE 73 HZ PHE 73 -5.204 -4.397 2.337 460 H LYS 74 H LYS 74 -11.702 0.181 1.784 461 HA LYS 74 HA LYS 74 -11.911 2.738 0.378 462 HB3 LYS 74 2HB LYS 74 -14.392 2.660 0.577 463 HG3 LYS 74 2HG LYS 74 -13.038 1.928 -1.600 464 HD3 LYS 74 2HD LYS 74 -14.846 -0.488 -1.072 465 HE3 LYS 74 2HE LYS 74 -13.419 -1.406 -2.990 466 HZ1 LYS 74 3HZ LYS 74 -15.644 -0.709 -3.423 467 HZ2 LYS 74 1HZ LYS 74 -14.647 -0.346 -4.681 468 HZ3 LYS 74 2HZ LYS 74 -15.161 0.871 -3.715 469 H GLY 75 H GLY 75 -13.172 4.248 1.811 470 HA2 GLY 75 1HA GLY 75 -13.305 5.396 3.697 471 HA3 GLY 75 2HA GLY 75 -13.628 3.856 4.552 472 H LEU 76 H LEU 76 -10.959 5.567 2.950 473 HA LEU 76 HA LEU 76 -9.107 4.828 5.162 474 HB3 LEU 76 2HB LEU 76 -7.406 5.939 3.662 475 HG LEU 76 HG LEU 76 -7.713 4.443 1.603 476 HD11 LEU 76 1HD1 LEU 76 -7.302 3.055 4.281 477 HD12 LEU 76 2HD1 LEU 76 -6.061 4.021 3.456 478 HD13 LEU 76 3HD1 LEU 76 -6.651 2.518 2.724 479 HD21 LEU 76 3HD2 LEU 76 -10.003 3.728 1.815 480 HD22 LEU 76 1HD2 LEU 76 -9.571 2.799 3.273 481 HD23 LEU 76 2HD2 LEU 76 -8.865 2.386 1.702 482 H VAL 77 H VAL 77 -8.030 6.504 6.372 483 HA VAL 77 HA VAL 77 -9.105 9.239 6.326 484 HB VAL 77 HB VAL 77 -9.539 8.898 8.838 485 HG11 VAL 77 1HG1 VAL 77 -11.804 8.222 8.535 486 HG12 VAL 77 2HG1 VAL 77 -11.297 9.239 7.183 487 HG13 VAL 77 3HG1 VAL 77 -11.437 7.469 6.976 488 HG21 VAL 77 3HG2 VAL 77 -9.771 5.977 8.078 489 HG22 VAL 77 1HG2 VAL 77 -8.388 6.643 8.980 490 HG23 VAL 77 2HG2 VAL 77 -10.002 6.688 9.672 491 H GLY 78 H GLY 78 -8.035 10.397 8.344 492 HA2 GLY 78 1HA GLY 78 -6.078 11.017 9.413 493 HA3 GLY 78 2HA GLY 78 -5.338 9.489 8.914 494 H LYS 79 H LYS 79 -3.447 11.060 8.351 495 HA LYS 79 HA LYS 79 -3.792 11.978 5.563 496 HB3 LYS 79 2HB LYS 79 -2.102 13.772 7.234 497 HG3 LYS 79 2HG LYS 79 -3.955 15.337 6.086 498 HD3 LYS 79 2HD LYS 79 -2.635 15.268 3.861 499 HE3 LYS 79 2HE LYS 79 -0.597 16.242 4.765 500 HZ1 LYS 79 3HZ LYS 79 -1.562 18.018 5.877 501 HZ2 LYS 79 1HZ LYS 79 -2.719 17.137 6.584 502 HZ3 LYS 79 2HZ LYS 79 -2.823 17.466 4.982 503 H ASP 80 H ASP 80 -2.827 9.614 6.449 504 HA ASP 80 HA ASP 80 -0.608 9.598 4.726 505 HB3 ASP 80 2HB ASP 80 0.780 9.818 6.708 506 H THR 81 H THR 81 -0.145 7.226 4.147 507 HA THR 81 HA THR 81 -2.456 5.446 4.656 508 HB THR 81 HB THR 81 -1.731 5.477 1.811 509 HG1 THR 81 1HG THR 81 -1.428 7.749 2.309 510 HG21 THR 81 3HG2 THR 81 -4.332 6.076 3.275 511 HG22 THR 81 1HG2 THR 81 -3.756 4.453 2.788 512 HG23 THR 81 2HG2 THR 81 -4.158 5.664 1.557 513 H ARG 82 H ARG 82 -1.267 3.863 5.691 514 HA ARG 82 HA ARG 82 1.360 3.018 4.480 515 HB3 ARG 82 2HB ARG 82 1.812 2.062 6.716 516 HG3 ARG 82 2HG ARG 82 0.713 4.892 6.927 517 HD3 ARG 82 2HD ARG 82 2.718 3.784 8.852 518 HE ARG 82 HE ARG 82 0.862 6.033 8.595 519 HH11 ARG 82 1HH1 ARG 82 2.624 4.204 11.074 520 HH12 ARG 82 2HH1 ARG 82 2.606 5.553 12.199 521 HH21 ARG 82 1HH2 ARG 82 0.903 7.739 10.034 522 HH22 ARG 82 2HH2 ARG 82 1.496 7.539 11.639 523 H VAL 83 H VAL 83 1.755 0.857 4.222 524 HA VAL 83 HA VAL 83 -0.716 -0.846 4.034 525 HB VAL 83 HB VAL 83 1.423 -0.409 1.965 526 HG11 VAL 83 1HG1 VAL 83 0.572 -2.748 1.905 527 HG12 VAL 83 2HG1 VAL 83 -1.099 -2.142 1.881 528 HG13 VAL 83 3HG1 VAL 83 -0.007 -1.845 0.504 529 HG21 VAL 83 3HG2 VAL 83 -0.061 1.496 1.979 530 HG22 VAL 83 1HG2 VAL 83 -0.417 0.510 0.568 531 HG23 VAL 83 2HG2 VAL 83 -1.493 0.438 1.988 532 H PHE 84 H PHE 84 -0.596 -2.615 5.213 533 HA PHE 84 HA PHE 84 2.105 -3.703 5.894 534 HB3 PHE 84 2HB PHE 84 0.894 -4.933 7.670 535 HD1 PHE 84 1HD PHE 84 2.447 -2.096 7.253 536 HD2 PHE 84 2HD PHE 84 -0.815 -3.484 9.658 537 HE1 PHE 84 1HE PHE 84 2.841 -0.238 8.841 538 HE2 PHE 84 2HE PHE 84 -0.467 -1.655 11.213 539 HZ PHE 84 HZ PHE 84 1.349 0.013 10.822 540 H ILE 85 H ILE 85 2.552 -4.850 4.050 541 HA ILE 85 HA ILE 85 0.657 -6.902 3.069 542 HB ILE 85 HB ILE 85 3.639 -6.593 2.515 543 HG13 ILE 85 2HG1 ILE 85 2.264 -4.638 1.657 544 HG21 ILE 85 1HG2 ILE 85 1.506 -8.232 1.045 545 HG22 ILE 85 2HG2 ILE 85 3.260 -8.218 0.721 546 HG23 ILE 85 3HG2 ILE 85 2.652 -8.891 2.218 547 HD11 ILE 85 3HD1 ILE 85 3.010 -4.666 -0.645 548 HD12 ILE 85 1HD1 ILE 85 4.290 -5.280 0.422 549 HD13 ILE 85 2HD1 ILE 85 3.337 -6.402 -0.574 550 H GLU 86 H GLU 86 0.400 -8.721 4.290 551 HA GLU 86 HA GLU 86 2.455 -10.116 5.616 552 HB3 GLU 86 2HB GLU 86 2.206 -8.579 7.453 553 HG3 GLU 86 2HG GLU 86 -0.795 -8.920 7.141 554 H LEU 87 H LEU 87 1.120 -12.043 6.789 555 HA LEU 87 HA LEU 87 -0.829 -12.871 4.731 556 HB3 LEU 87 2HB LEU 87 -0.043 -15.024 4.995 557 HG LEU 87 HG LEU 87 2.279 -15.096 4.671 558 HD11 LEU 87 1HD1 LEU 87 1.448 -12.399 3.678 559 HD12 LEU 87 2HD1 LEU 87 1.185 -13.983 2.945 560 HD13 LEU 87 3HD1 LEU 87 2.820 -13.347 3.139 561 HD21 LEU 87 3HD2 LEU 87 2.823 -12.661 6.269 562 HD22 LEU 87 1HD2 LEU 87 3.945 -13.801 5.518 563 HD23 LEU 87 2HD2 LEU 87 2.865 -14.351 6.830 564 H ASP 88 H ASP 88 -2.300 -14.717 5.609 565 HA ASP 88 HA ASP 88 -2.915 -14.567 8.437 566 HB3 ASP 88 2HB ASP 88 -5.143 -13.951 6.461 567 H GLU 89 H GLU 89 -4.904 -16.107 8.724 568 HA GLU 89 HA GLU 89 -5.772 -18.143 8.777 569 HB3 GLU 89 2HB GLU 89 -6.629 -19.046 6.627 570 HG3 GLU 89 2HG GLU 89 -7.880 -17.030 5.830 571 H ASN 90 H ASN 90 -3.675 -18.605 5.971 572 HA ASN 90 HA ASN 90 -2.105 -20.635 7.356 573 HB3 ASN 90 2HB ASN 90 -4.040 -21.981 6.538 574 HD21 ASN 90 1HD2 ASN 90 -5.024 -20.152 4.812 575 HD22 ASN 90 2HD2 ASN 90 -4.754 -20.535 3.167 576 H ALA 91 H ALA 91 -1.329 -18.085 6.593 577 HA ALA 91 HA ALA 91 0.429 -17.125 5.734 578 HB1 ALA 91 1HB ALA 91 1.320 -19.783 4.580 579 HB2 ALA 91 2HB ALA 91 2.307 -18.380 4.954 580 HB3 ALA 91 3HB ALA 91 1.552 -19.291 6.270 581 H ASP 92 H ASP 92 -2.134 -17.440 4.213 582 HA ASP 92 HA ASP 92 -1.540 -17.390 1.376 583 HB3 ASP 92 2HB ASP 92 -3.814 -16.383 1.231 584 H VAL 93 H VAL 93 -1.103 -15.471 0.159 585 HA VAL 93 HA VAL 93 -0.330 -13.183 1.774 586 HB VAL 93 HB VAL 93 -0.304 -13.201 -1.257 587 HG11 VAL 93 1HG1 VAL 93 1.575 -11.632 -0.804 588 HG12 VAL 93 2HG1 VAL 93 0.111 -11.063 0.011 589 HG13 VAL 93 3HG1 VAL 93 1.353 -11.874 0.953 590 HG21 VAL 93 3HG2 VAL 93 1.626 -14.491 0.705 591 HG22 VAL 93 1HG2 VAL 93 0.913 -15.203 -0.742 592 HG23 VAL 93 2HG2 VAL 93 2.126 -13.944 -0.915 593 H GLN 94 H GLN 94 -1.703 -11.919 2.619 594 HA GLN 94 HA GLN 94 -4.096 -10.982 1.139 595 HB3 GLN 94 2HB GLN 94 -4.878 -10.190 3.336 596 HG3 GLN 94 2HG GLN 94 -5.318 -12.193 4.532 597 HE21 GLN 94 1HE2 GLN 94 -4.257 -14.432 2.317 598 HE22 GLN 94 2HE2 GLN 94 -5.467 -14.372 1.061 599 H VAL 95 H VAL 95 -4.388 -8.541 2.240 600 HA VAL 95 HA VAL 95 -1.831 -7.227 2.567 601 HB VAL 95 HB VAL 95 -3.933 -6.004 0.720 602 HG11 VAL 95 1HG1 VAL 95 -2.825 -4.279 2.084 603 HG12 VAL 95 2HG1 VAL 95 -1.234 -4.922 1.633 604 HG13 VAL 95 3HG1 VAL 95 -2.289 -4.175 0.408 605 HG21 VAL 95 3HG2 VAL 95 -1.109 -6.936 0.062 606 HG22 VAL 95 1HG2 VAL 95 -2.608 -7.680 -0.505 607 HG23 VAL 95 2HG2 VAL 95 -2.201 -6.047 -1.041 608 H PHE 96 H PHE 96 -2.036 -5.776 4.257 609 HA PHE 96 HA PHE 96 -4.735 -5.230 5.341 610 HB3 PHE 96 2HB PHE 96 -2.138 -5.857 6.820 611 HD1 PHE 96 1HD PHE 96 -5.853 -6.355 7.283 612 HD2 PHE 96 2HD PHE 96 -2.221 -4.685 8.829 613 HE1 PHE 96 1HE PHE 96 -7.081 -5.541 9.297 614 HE2 PHE 96 2HE PHE 96 -3.450 -3.817 10.835 615 HZ PHE 96 HZ PHE 96 -5.876 -4.258 11.057 616 H ILE 97 H ILE 97 -4.475 -3.347 7.011 617 HA ILE 97 HA ILE 97 -2.432 -1.380 6.388 618 HB ILE 97 HB ILE 97 -4.368 0.302 5.931 619 HG13 ILE 97 2HG1 ILE 97 -6.269 -1.309 6.381 620 HG21 ILE 97 1HG2 ILE 97 -4.079 0.189 3.604 621 HG22 ILE 97 2HG2 ILE 97 -2.648 -0.574 4.248 622 HG23 ILE 97 3HG2 ILE 97 -3.929 -1.592 3.605 623 HD11 ILE 97 3HD1 ILE 97 -7.649 -0.666 4.499 624 HD12 ILE 97 1HD1 ILE 97 -6.569 0.704 4.894 625 HD13 ILE 97 2HD1 ILE 97 -6.226 -0.348 3.502 626 HA PRO 98 HA PRO 98 -3.777 -0.457 10.538 627 HB3 PRO 98 2HB PRO 98 -1.673 0.348 11.066 628 HG3 PRO 98 2HG PRO 98 -0.337 1.408 9.414 629 HD3 PRO 98 2HD PRO 98 -0.991 -0.549 8.249 630 H GLN 99 H GLN 99 -5.659 0.518 11.090 631 HA GLN 99 HA GLN 99 -6.786 2.808 9.569 632 HB3 GLN 99 2HB GLN 99 -8.955 1.372 9.532 633 HG3 GLN 99 2HG GLN 99 -8.334 0.037 7.592 634 HE21 GLN 99 1HE2 GLN 99 -5.854 2.601 7.496 635 HE22 GLN 99 2HE2 GLN 99 -6.811 3.681 6.482 636 H GLY 100 H GLY 100 -9.205 3.119 10.745 637 HA2 GLY 100 1HA GLY 100 -9.215 2.728 13.569 638 HA3 GLY 100 2HA GLY 100 -8.632 4.356 13.162 639 H GLU 101 H GLU 101 -9.996 5.724 11.813 640 HA GLU 101 HA GLU 101 -12.795 5.380 12.472 641 HB3 GLU 101 2HB GLU 101 -13.100 7.589 11.674 642 HG3 GLU 101 2HG GLU 101 -11.420 8.935 12.814 643 H ILE 102 H ILE 102 -13.027 3.296 11.294 644 HA ILE 102 HA ILE 102 -13.947 3.840 8.558 645 HB ILE 102 HB ILE 102 -12.046 2.589 8.174 646 HG13 ILE 102 2HG1 ILE 102 -14.269 1.957 7.183 647 HG21 ILE 102 1HG2 ILE 102 -12.847 0.579 10.323 648 HG22 ILE 102 2HG2 ILE 102 -11.464 0.422 9.221 649 HG23 ILE 102 3HG2 ILE 102 -11.488 1.717 10.417 650 HD11 ILE 102 3HD1 ILE 102 -12.133 -0.208 7.133 651 HD12 ILE 102 1HD1 ILE 102 -13.448 0.006 5.967 652 HD13 ILE 102 2HD1 ILE 102 -12.197 1.257 6.117 653 H ASP 103 H ASP 103 -15.926 4.076 8.818 654 HA ASP 103 HA ASP 103 -18.044 3.490 8.691 655 HB3 ASP 103 2HB ASP 103 -17.086 0.702 8.080 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -2.805 26.363 4.835 2 HA2 GLY 1 1HA GLY 1 -2.803 29.279 5.368 3 HA3 GLY 1 2HA GLY 1 -2.172 28.052 6.470 4 H ALA 2 H ALA 2 -1.453 27.705 2.965 5 HA ALA 2 HA ALA 2 1.133 29.020 3.196 6 HB1 ALA 2 1HB ALA 2 2.328 26.992 2.426 7 HB2 ALA 2 2HB ALA 2 1.562 26.667 3.989 8 HB3 ALA 2 3HB ALA 2 0.821 26.063 2.485 9 H GLN 3 H GLN 3 2.147 28.735 0.842 10 HA GLN 3 HA GLN 3 0.045 28.970 -1.220 11 HB3 GLN 3 2HB GLN 3 3.070 28.824 -1.472 12 HG3 GLN 3 2HG GLN 3 0.832 29.105 -3.509 13 HE21 GLN 3 1HE2 GLN 3 4.508 29.453 -3.337 14 HE22 GLN 3 2HE2 GLN 3 4.507 30.613 -4.659 15 H ASP 4 H ASP 4 2.793 26.651 -0.806 16 HA ASP 4 HA ASP 4 0.979 24.417 -1.540 17 HB3 ASP 4 2HB ASP 4 3.293 23.969 -3.054 18 H GLY 5 H GLY 5 2.510 25.322 0.890 19 HA2 GLY 5 1HA GLY 5 4.852 24.180 1.445 20 HA3 GLY 5 2HA GLY 5 3.602 24.343 2.674 21 H LYS 6 H LYS 6 1.868 22.401 2.467 22 HA LYS 6 HA LYS 6 3.282 19.809 2.055 23 HB3 LYS 6 2HB LYS 6 3.865 20.404 4.316 24 HG3 LYS 6 2HG LYS 6 0.894 20.914 4.765 25 HD3 LYS 6 2HD LYS 6 3.142 20.758 6.818 26 HE3 LYS 6 2HE LYS 6 0.182 21.521 6.959 27 HZ1 LYS 6 3HZ LYS 6 0.675 20.349 8.955 28 HZ2 LYS 6 1HZ LYS 6 0.737 21.939 9.315 29 HZ3 LYS 6 2HZ LYS 6 2.128 21.078 9.150 30 H GLU 7 H GLU 7 1.207 20.841 0.421 31 HA GLU 7 HA GLU 7 -1.279 20.168 1.701 32 HB3 GLU 7 2HB GLU 7 -1.462 21.193 -1.060 33 HG3 GLU 7 2HG GLU 7 -3.196 21.517 0.772 34 H THR 8 H THR 8 0.285 17.900 0.992 35 HA THR 8 HA THR 8 -1.674 16.427 -0.684 36 HB THR 8 HB THR 8 0.508 15.156 -1.503 37 HG1 THR 8 1HG THR 8 2.236 16.534 -1.738 38 HG21 THR 8 3HG2 THR 8 -0.956 16.186 -3.061 39 HG22 THR 8 1HG2 THR 8 0.636 16.869 -3.414 40 HG23 THR 8 2HG2 THR 8 -0.574 17.810 -2.483 41 H THR 9 H THR 9 -1.585 14.085 -0.470 42 HA THR 9 HA THR 9 -0.998 13.220 2.259 43 HB THR 9 HB THR 9 -1.920 11.023 1.098 44 HG1 THR 9 1HG THR 9 -1.967 11.811 -1.028 45 HG21 THR 9 3HG2 THR 9 -4.191 11.808 1.610 46 HG22 THR 9 1HG2 THR 9 -3.570 13.491 1.695 47 HG23 THR 9 2HG2 THR 9 -2.997 12.236 2.808 48 H THR 10 H THR 10 0.104 11.071 2.563 49 HA THR 10 HA THR 10 2.124 10.547 0.489 50 HB THR 10 HB THR 10 2.703 10.487 3.463 51 HG1 THR 10 1HG THR 10 3.574 12.564 1.772 52 HG21 THR 10 3HG2 THR 10 4.608 10.521 1.077 53 HG22 THR 10 1HG2 THR 10 4.375 9.175 2.227 54 HG23 THR 10 2HG2 THR 10 5.110 10.683 2.768 55 H ILE 11 H ILE 11 3.048 8.268 0.676 56 HA ILE 11 HA ILE 11 1.141 6.352 1.876 57 HB ILE 11 HB ILE 11 2.374 6.280 -0.912 58 HG13 ILE 11 2HG1 ILE 11 0.363 7.846 -0.610 59 HG21 ILE 11 1HG2 ILE 11 0.515 4.299 0.498 60 HG22 ILE 11 2HG2 ILE 11 1.001 4.202 -1.201 61 HG23 ILE 11 3HG2 ILE 11 2.210 4.030 0.035 62 HD11 ILE 11 3HD1 ILE 11 0.849 6.995 -2.837 63 HD12 ILE 11 1HD1 ILE 11 -0.108 5.541 -2.520 64 HD13 ILE 11 2HD1 ILE 11 -0.889 7.110 -2.541 65 H ARG 12 H ARG 12 2.238 4.350 2.435 66 HA ARG 12 HA ARG 12 5.082 4.151 1.943 67 HB3 ARG 12 2HB ARG 12 4.172 3.866 4.826 68 HG3 ARG 12 2HG ARG 12 7.052 4.323 4.095 69 HD3 ARG 12 2HD ARG 12 7.335 2.292 5.608 70 HE ARG 12 HE ARG 12 7.044 4.853 6.472 71 HH11 ARG 12 1HH1 ARG 12 6.455 1.638 7.829 72 HH12 ARG 12 2HH1 ARG 12 6.600 2.148 9.466 73 HH21 ARG 12 1HH2 ARG 12 7.452 5.452 8.648 74 HH22 ARG 12 2HH2 ARG 12 7.301 4.298 9.924 75 H LEU 13 H LEU 13 5.566 2.132 1.467 76 HA LEU 13 HA LEU 13 3.547 -0.046 1.974 77 HB3 LEU 13 2HB LEU 13 5.063 -1.218 0.175 78 HG LEU 13 HG LEU 13 4.156 0.323 -1.785 79 HD11 LEU 13 1HD1 LEU 13 3.399 -1.925 -1.455 80 HD12 LEU 13 2HD1 LEU 13 1.977 -0.888 -1.725 81 HD13 LEU 13 3HD1 LEU 13 2.390 -1.441 -0.090 82 HD21 LEU 13 3HD2 LEU 13 2.260 1.128 0.465 83 HD22 LEU 13 1HD2 LEU 13 2.037 1.442 -1.249 84 HD23 LEU 13 2HD2 LEU 13 3.392 2.196 -0.405 85 H ILE 14 H ILE 14 4.136 -1.678 3.394 86 HA ILE 14 HA ILE 14 6.981 -1.925 4.155 87 HB ILE 14 HB ILE 14 4.589 -2.328 5.989 88 HG13 ILE 14 2HG1 ILE 14 6.221 0.199 5.552 89 HG21 ILE 14 1HG2 ILE 14 7.480 -1.759 6.739 90 HG22 ILE 14 2HG2 ILE 14 6.172 -2.469 7.715 91 HG23 ILE 14 3HG2 ILE 14 6.919 -3.395 6.413 92 HD11 ILE 14 3HD1 ILE 14 3.917 1.205 6.308 93 HD12 ILE 14 1HD1 ILE 14 4.032 0.570 4.673 94 HD13 ILE 14 2HD1 ILE 14 3.251 -0.365 5.933 95 H ASN 15 H ASN 15 7.742 -3.969 3.957 96 HA ASN 15 HA ASN 15 5.854 -6.004 2.915 97 HB3 ASN 15 2HB ASN 15 8.881 -5.990 2.650 98 HD21 ASN 15 1HD2 ASN 15 9.593 -7.644 1.356 99 HD22 ASN 15 2HD2 ASN 15 8.550 -8.854 0.688 100 H GLN 16 H GLN 16 5.170 -6.486 5.240 101 HA GLN 16 HA GLN 16 7.305 -7.301 7.080 102 HB3 GLN 16 2HB GLN 16 5.621 -7.201 8.795 103 HG3 GLN 16 2HG GLN 16 5.160 -4.870 6.876 104 HE21 GLN 16 1HE2 GLN 16 2.992 -5.611 8.394 105 HE22 GLN 16 2HE2 GLN 16 2.804 -4.400 9.627 106 H THR 17 H THR 17 7.337 -9.056 5.065 107 HA THR 17 HA THR 17 5.892 -11.481 5.962 108 HB THR 17 HB THR 17 5.811 -11.911 3.425 109 HG1 THR 17 1HG THR 17 5.899 -10.044 2.161 110 HG21 THR 17 3HG2 THR 17 4.159 -9.613 4.516 111 HG22 THR 17 1HG2 THR 17 3.860 -11.338 4.848 112 HG23 THR 17 2HG2 THR 17 3.710 -10.727 3.208 113 H TYR 18 H TYR 18 6.733 -13.378 4.716 114 HA TYR 18 HA TYR 18 9.671 -13.567 5.039 115 HB3 TYR 18 2HB TYR 18 8.543 -15.081 6.359 116 HD1 TYR 18 2HD TYR 18 7.000 -15.543 2.922 117 HD2 TYR 18 1HD TYR 18 7.076 -16.792 7.071 118 HE1 TYR 18 2HE TYR 18 4.900 -16.751 2.602 119 HE2 TYR 18 1HE TYR 18 5.034 -18.105 6.700 120 HH TYR 18 HH TYR 18 3.133 -17.893 3.682 121 H PHE 19 H PHE 19 8.591 -12.219 2.578 122 HA PHE 19 HA PHE 19 10.145 -13.838 0.720 123 HB3 PHE 19 2HB PHE 19 7.975 -14.739 0.253 124 HD1 PHE 19 1HD PHE 19 7.525 -11.187 -0.939 125 HD2 PHE 19 2HD PHE 19 5.874 -14.449 1.341 126 HE1 PHE 19 1HE PHE 19 5.532 -9.840 -0.453 127 HE2 PHE 19 2HE PHE 19 3.890 -13.081 1.830 128 HZ PHE 19 HZ PHE 19 3.686 -10.781 0.897 129 H ASN 20 H ASN 20 10.472 -12.696 -1.350 130 HA ASN 20 HA ASN 20 10.795 -9.735 -1.022 131 HB3 ASN 20 2HB ASN 20 11.960 -11.788 -2.951 132 HD21 ASN 20 1HD2 ASN 20 12.044 -10.891 -5.093 133 HD22 ASN 20 2HD2 ASN 20 12.482 -9.221 -5.339 134 H VAL 21 H VAL 21 9.770 -8.305 -2.522 135 HA VAL 21 HA VAL 21 8.058 -9.538 -4.650 136 HB VAL 21 HB VAL 21 6.538 -7.535 -4.334 137 HG11 VAL 21 1HG1 VAL 21 5.513 -9.519 -3.875 138 HG12 VAL 21 2HG1 VAL 21 6.548 -9.892 -2.496 139 HG13 VAL 21 3HG1 VAL 21 5.274 -8.660 -2.373 140 HG21 VAL 21 3HG2 VAL 21 7.605 -7.599 -1.468 141 HG22 VAL 21 1HG2 VAL 21 8.010 -6.361 -2.654 142 HG23 VAL 21 2HG2 VAL 21 6.339 -6.543 -2.100 143 H LYS 22 H LYS 22 7.955 -8.350 -6.581 144 HA LYS 22 HA LYS 22 9.986 -6.168 -6.879 145 HB3 LYS 22 2HB LYS 22 11.134 -8.238 -7.311 146 HG3 LYS 22 2HG LYS 22 10.196 -9.347 -9.617 147 HD3 LYS 22 2HD LYS 22 9.591 -10.124 -6.749 148 HE3 LYS 22 2HE LYS 22 7.753 -10.858 -8.222 149 HZ1 LYS 22 3HZ LYS 22 8.221 -12.518 -9.858 150 HZ2 LYS 22 1HZ LYS 22 9.836 -12.475 -9.607 151 HZ3 LYS 22 2HZ LYS 22 9.038 -11.180 -10.298 152 H ASN 23 H ASN 23 7.069 -5.971 -6.907 153 HA ASN 23 HA ASN 23 6.496 -4.334 -8.938 154 HB3 ASN 23 2HB ASN 23 6.559 -5.827 -10.740 155 HD21 ASN 23 1HD2 ASN 23 5.779 -7.803 -8.001 156 HD22 ASN 23 2HD2 ASN 23 5.719 -9.277 -8.981 157 H ILE 24 H ILE 24 5.874 -3.724 -6.646 158 HA ILE 24 HA ILE 24 3.116 -4.683 -6.187 159 HB ILE 24 HB ILE 24 4.341 -2.542 -4.451 160 HG13 ILE 24 2HG1 ILE 24 5.235 -5.393 -4.513 161 HG21 ILE 24 1HG2 ILE 24 2.277 -4.747 -4.049 162 HG22 ILE 24 2HG2 ILE 24 2.755 -3.566 -2.831 163 HG23 ILE 24 3HG2 ILE 24 1.956 -3.017 -4.311 164 HD11 ILE 24 3HD1 ILE 24 7.224 -4.516 -3.634 165 HD12 ILE 24 1HD1 ILE 24 6.692 -3.298 -4.791 166 HD13 ILE 24 2HD1 ILE 24 6.430 -3.021 -3.057 167 H LYS 25 H LYS 25 1.553 -3.530 -7.097 168 HA LYS 25 HA LYS 25 2.003 -0.758 -8.088 169 HB3 LYS 25 2HB LYS 25 -0.371 -1.753 -9.168 170 HG3 LYS 25 2HG LYS 25 0.806 -2.172 -11.316 171 HD3 LYS 25 2HD LYS 25 1.697 0.007 -11.773 172 HE3 LYS 25 2HE LYS 25 -0.196 1.340 -11.166 173 HZ1 LYS 25 3HZ LYS 25 -0.661 -0.454 -12.754 174 HZ2 LYS 25 1HZ LYS 25 -2.009 -0.121 -11.880 175 HZ3 LYS 25 2HZ LYS 25 -1.156 -1.435 -11.524 176 H VAL 26 H VAL 26 0.420 0.770 -7.382 177 HA VAL 26 HA VAL 26 -1.651 -0.176 -5.508 178 HB VAL 26 HB VAL 26 -1.147 1.386 -3.877 179 HG11 VAL 26 1HG1 VAL 26 1.062 0.805 -3.103 180 HG12 VAL 26 2HG1 VAL 26 0.346 -0.613 -3.885 181 HG13 VAL 26 3HG1 VAL 26 1.577 0.358 -4.735 182 HG21 VAL 26 3HG2 VAL 26 -0.472 3.364 -5.179 183 HG22 VAL 26 1HG2 VAL 26 0.655 3.024 -3.883 184 HG23 VAL 26 2HG2 VAL 26 1.081 2.596 -5.570 185 H THR 27 H THR 27 -3.621 1.093 -5.783 186 HA THR 27 HA THR 27 -3.423 3.522 -7.473 187 HB THR 27 HB THR 27 -5.814 1.662 -7.521 188 HG1 THR 27 1HG THR 27 -4.374 1.667 -9.812 189 HG21 THR 27 3HG2 THR 27 -6.157 4.007 -8.259 190 HG22 THR 27 1HG2 THR 27 -6.352 2.850 -9.594 191 HG23 THR 27 2HG2 THR 27 -4.869 3.817 -9.443 192 H TRP 28 H TRP 28 -4.010 5.296 -6.297 193 HA TRP 28 HA TRP 28 -5.583 4.914 -3.768 194 HB3 TRP 28 2HB TRP 28 -3.235 5.541 -3.537 195 HD1 TRP 28 HD TRP 28 -4.325 9.164 -4.158 196 HE1 TRP 28 1HE TRP 28 -2.522 10.323 -5.575 197 HE3 TRP 28 3HE TRP 28 -1.704 5.089 -5.439 198 HZ2 TRP 28 2HZ TRP 28 0.132 9.529 -6.712 199 HZ3 TRP 28 3HZ TRP 28 0.452 5.250 -6.696 200 HH2 TRP 28 HH TRP 28 1.398 7.501 -7.263 201 H ASN 29 H ASN 29 -6.648 5.489 -6.526 202 HA ASN 29 HA ASN 29 -8.724 7.169 -5.743 203 HB3 ASN 29 2HB ASN 29 -7.703 8.751 -7.996 204 HD21 ASN 29 1HD2 ASN 29 -7.447 9.234 -4.456 205 HD22 ASN 29 2HD2 ASN 29 -8.637 10.528 -4.385 206 H ASP 30 H ASP 30 -9.683 7.946 -8.356 207 HA ASP 30 HA ASP 30 -10.260 5.296 -9.485 208 HB3 ASP 30 2HB ASP 30 -11.623 6.803 -11.108 209 H GLY 31 H GLY 31 -7.901 5.031 -9.859 210 HA2 GLY 31 1HA GLY 31 -6.885 4.352 -11.970 211 HA3 GLY 31 2HA GLY 31 -7.177 5.960 -12.613 212 H LYS 32 H LYS 32 -6.243 7.284 -10.023 213 HA LYS 32 HA LYS 32 -3.627 7.681 -10.765 214 HB3 LYS 32 2HB LYS 32 -4.268 8.065 -7.840 215 HG3 LYS 32 2HG LYS 32 -3.230 10.120 -8.017 216 HD3 LYS 32 2HD LYS 32 -1.559 8.139 -8.740 217 HE3 LYS 32 2HE LYS 32 -1.525 10.123 -11.051 218 HZ1 LYS 32 3HZ LYS 32 0.682 9.400 -10.407 219 HZ2 LYS 32 1HZ LYS 32 0.274 8.777 -11.873 220 HZ3 LYS 32 2HZ LYS 32 0.263 7.797 -10.567 221 H GLU 33 H GLU 33 -2.088 6.024 -10.919 222 HA GLU 33 HA GLU 33 -1.519 4.429 -8.476 223 HB3 GLU 33 2HB GLU 33 -2.923 3.130 -9.827 224 HG3 GLU 33 2HG GLU 33 -1.089 2.610 -12.096 225 H GLN 34 H GLN 34 0.460 3.324 -8.525 226 HA GLN 34 HA GLN 34 2.578 4.002 -10.342 227 HB3 GLN 34 2HB GLN 34 2.521 6.057 -8.831 228 HG3 GLN 34 2HG GLN 34 2.455 4.540 -6.615 229 HE21 GLN 34 1HE2 GLN 34 3.689 2.875 -5.760 230 HE22 GLN 34 2HE2 GLN 34 5.449 2.925 -5.696 231 H THR 35 H THR 35 4.782 2.929 -9.408 232 HA THR 35 HA THR 35 4.212 0.707 -7.624 233 HB THR 35 HB THR 35 3.595 -0.311 -9.655 234 HG1 THR 35 1HG THR 35 4.844 -1.572 -8.424 235 HG21 THR 35 3HG2 THR 35 4.403 1.155 -11.350 236 HG22 THR 35 1HG2 THR 35 5.076 -0.451 -11.654 237 HG23 THR 35 2HG2 THR 35 6.099 0.804 -10.910 238 H VAL 36 H VAL 36 6.195 -0.466 -7.087 239 HA VAL 36 HA VAL 36 8.412 1.433 -6.541 240 HB VAL 36 HB VAL 36 7.496 -1.242 -5.325 241 HG11 VAL 36 1HG1 VAL 36 9.101 -0.699 -3.480 242 HG12 VAL 36 2HG1 VAL 36 9.888 -1.107 -4.968 243 HG13 VAL 36 3HG1 VAL 36 9.786 0.596 -4.480 244 HG21 VAL 36 3HG2 VAL 36 7.332 1.600 -4.225 245 HG22 VAL 36 1HG2 VAL 36 5.965 0.599 -4.751 246 HG23 VAL 36 2HG2 VAL 36 6.895 0.117 -3.347 247 H ASN 37 H ASN 37 10.632 0.406 -6.718 248 HA ASN 37 HA ASN 37 11.118 -1.328 -9.014 249 HB3 ASN 37 2HB ASN 37 12.844 -0.454 -6.661 250 HD21 ASN 37 1HD2 ASN 37 14.640 -1.816 -6.306 251 HD22 ASN 37 2HD2 ASN 37 15.356 -2.793 -7.562 252 H THR 38 H THR 38 12.185 -2.190 -5.670 253 HA THR 38 HA THR 38 10.657 -4.681 -5.704 254 HB THR 38 HB THR 38 13.700 -4.411 -5.722 255 HG1 THR 38 1HG THR 38 12.800 -4.514 -7.778 256 HG21 THR 38 3HG2 THR 38 13.130 -6.191 -4.104 257 HG22 THR 38 1HG2 THR 38 13.852 -6.843 -5.580 258 HG23 THR 38 2HG2 THR 38 12.113 -6.968 -5.346 259 H LEU 39 H LEU 39 10.844 -5.721 -3.536 260 HA LEU 39 HA LEU 39 11.490 -3.903 -1.333 261 HB3 LEU 39 2HB LEU 39 9.031 -5.424 -0.804 262 HG LEU 39 HG LEU 39 8.083 -3.357 -0.136 263 HD11 LEU 39 1HD1 LEU 39 9.155 -3.166 1.755 264 HD12 LEU 39 2HD1 LEU 39 10.766 -3.025 1.013 265 HD13 LEU 39 3HD1 LEU 39 10.029 -4.618 1.192 266 HD21 LEU 39 3HD2 LEU 39 10.678 -1.993 -1.003 267 HD22 LEU 39 1HD2 LEU 39 9.466 -1.273 0.049 268 HD23 LEU 39 2HD2 LEU 39 9.035 -1.681 -1.635 269 H GLY 40 H GLY 40 12.802 -4.896 -0.202 270 HA2 GLY 40 1HA GLY 40 13.439 -7.668 -0.128 271 HA3 GLY 40 2HA GLY 40 13.963 -6.411 0.995 272 H SER 41 H SER 41 13.485 -8.918 2.086 273 HA SER 41 HA SER 41 10.785 -9.129 3.147 274 HB3 SER 41 2HB SER 41 11.845 -11.158 3.023 275 HG SER 41 HG SER 41 14.189 -10.357 4.334 276 H HIS 42 H HIS 42 9.982 -7.978 4.825 277 HA HIS 42 HA HIS 42 9.741 -6.302 6.245 278 HB3 HIS 42 2HB HIS 42 11.441 -6.222 8.201 279 HD1 HIS 42 1HD HIS 42 9.516 -6.459 9.847 280 HD2 HIS 42 2HD HIS 42 9.875 -9.650 7.107 281 HE1 HIS 42 1HE HIS 42 7.804 -8.229 10.547 282 H ASP 43 H ASP 43 10.838 -5.635 3.810 283 HA ASP 43 HA ASP 43 12.363 -3.218 4.532 284 HB3 ASP 43 2HB ASP 43 12.545 -2.917 2.044 285 H SER 44 H SER 44 11.719 -1.247 3.156 286 HA SER 44 HA SER 44 8.879 -0.958 2.903 287 HB3 SER 44 2HB SER 44 8.779 -0.764 5.236 288 HG SER 44 HG SER 44 10.818 -0.599 5.920 289 H ILE 45 H ILE 45 8.244 1.135 2.056 290 HA ILE 45 HA ILE 45 10.309 3.074 1.387 291 HB ILE 45 HB ILE 45 10.521 1.463 -0.444 292 HG13 ILE 45 2HG1 ILE 45 10.935 3.827 -0.869 293 HG21 ILE 45 1HG2 ILE 45 7.630 2.076 -1.218 294 HG22 ILE 45 2HG2 ILE 45 8.750 0.933 -1.985 295 HG23 ILE 45 3HG2 ILE 45 8.124 0.595 -0.375 296 HD11 ILE 45 3HD1 ILE 45 10.874 3.835 -3.233 297 HD12 ILE 45 1HD1 ILE 45 11.035 2.123 -2.788 298 HD13 ILE 45 2HD1 ILE 45 9.457 2.779 -3.300 299 H ASP 46 H ASP 46 9.452 5.072 0.946 300 HA ASP 46 HA ASP 46 6.518 5.377 1.219 301 HB3 ASP 46 2HB ASP 46 7.435 6.387 3.209 302 H PHE 47 H PHE 47 5.551 6.838 -0.081 303 HA PHE 47 HA PHE 47 7.144 8.445 -1.929 304 HB3 PHE 47 2HB PHE 47 6.994 6.679 -3.427 305 HD1 PHE 47 2HD PHE 47 6.605 4.545 -2.269 306 HD2 PHE 47 1HD PHE 47 3.395 6.937 -3.856 307 HE1 PHE 47 2HE PHE 47 5.095 2.587 -2.139 308 HE2 PHE 47 1HE PHE 47 1.885 4.983 -3.756 309 HZ PHE 47 HZ PHE 47 2.707 2.818 -2.830 310 H SER 48 H SER 48 6.001 10.225 -2.743 311 HA SER 48 HA SER 48 3.892 11.320 -1.312 312 HB3 SER 48 2HB SER 48 5.786 12.381 -2.668 313 HG SER 48 HG SER 48 5.489 11.484 -4.696 314 H SER 49 H SER 49 1.840 12.263 -2.712 315 HA SER 49 HA SER 49 0.846 10.279 -4.553 316 HB3 SER 49 2HB SER 49 -0.067 9.230 -2.698 317 HG SER 49 HG SER 49 0.283 11.325 -1.383 318 H ASP 50 H ASP 50 -0.580 11.161 -5.988 319 HA ASP 50 HA ASP 50 -0.020 13.947 -6.401 320 HB3 ASP 50 2HB ASP 50 -1.626 12.141 -8.225 321 H ALA 51 H ALA 51 -2.068 13.407 -4.310 322 HA ALA 51 HA ALA 51 -4.221 15.122 -5.290 323 HB1 ALA 51 1HB ALA 51 -5.940 13.646 -4.278 324 HB2 ALA 51 2HB ALA 51 -5.110 12.828 -5.617 325 HB3 ALA 51 3HB ALA 51 -4.704 12.427 -3.925 326 H GLY 52 H GLY 52 -5.298 16.156 -3.522 327 HA2 GLY 52 1HA GLY 52 -3.583 16.849 -1.350 328 HA3 GLY 52 2HA GLY 52 -5.249 17.371 -1.572 329 H SER 53 H SER 53 -6.339 14.556 -1.614 330 HA SER 53 HA SER 53 -5.611 13.356 0.868 331 HB3 SER 53 2HB SER 53 -6.968 14.399 2.234 332 HG SER 53 HG SER 53 -8.693 15.518 0.334 333 H VAL 54 H VAL 54 -7.059 11.353 1.253 334 HA VAL 54 HA VAL 54 -8.322 10.293 -1.139 335 HB VAL 54 HB VAL 54 -6.143 9.899 -1.805 336 HG11 VAL 54 1HG1 VAL 54 -4.750 10.397 0.033 337 HG12 VAL 54 2HG1 VAL 54 -5.378 9.032 0.989 338 HG13 VAL 54 3HG1 VAL 54 -4.373 8.750 -0.445 339 HG21 VAL 54 3HG2 VAL 54 -6.842 7.306 -0.358 340 HG22 VAL 54 1HG2 VAL 54 -7.555 7.838 -1.910 341 HG23 VAL 54 2HG2 VAL 54 -5.834 7.484 -1.769 342 H TYR 55 H TYR 55 -9.437 8.339 -0.736 343 HA TYR 55 HA TYR 55 -9.783 7.484 2.074 344 HB3 TYR 55 2HB TYR 55 -11.610 8.745 1.979 345 HD1 TYR 55 2HD TYR 55 -11.900 7.162 -1.447 346 HD2 TYR 55 1HD TYR 55 -12.232 10.715 0.949 347 HE1 TYR 55 2HE TYR 55 -12.434 8.469 -3.487 348 HE2 TYR 55 1HE TYR 55 -12.764 12.043 -1.053 349 HH TYR 55 HH TYR 55 -13.041 12.024 -3.331 350 H LYS 56 H LYS 56 -8.598 6.295 -0.745 351 HA LYS 56 HA LYS 56 -9.714 3.661 -0.257 352 HB3 LYS 56 2HB LYS 56 -11.374 4.571 -1.817 353 HG3 LYS 56 2HG LYS 56 -9.147 4.874 -3.891 354 HD3 LYS 56 2HD LYS 56 -10.936 6.125 -5.117 355 HE3 LYS 56 2HE LYS 56 -11.597 3.241 -4.342 356 HZ1 LYS 56 3HZ LYS 56 -13.433 4.177 -5.600 357 HZ2 LYS 56 1HZ LYS 56 -12.529 3.208 -6.589 358 HZ3 LYS 56 2HZ LYS 56 -12.415 4.810 -6.716 359 H MET 57 H MET 57 -8.397 1.995 -1.325 360 HA MET 57 HA MET 57 -6.004 2.853 -2.738 361 HB3 MET 57 2HB MET 57 -5.751 1.553 0.021 362 HG3 MET 57 2HG MET 57 -4.006 0.860 -1.622 363 HE1 MET 57 3HE MET 57 -2.214 3.889 -0.291 364 HE2 MET 57 1HE MET 57 -2.165 5.067 -1.616 365 HE3 MET 57 2HE MET 57 -3.688 4.778 -0.758 366 H ASP 58 H ASP 58 -5.800 1.318 -4.271 367 HA ASP 58 HA ASP 58 -6.710 -1.477 -3.722 368 HB3 ASP 58 2HB ASP 58 -6.512 -1.539 -6.318 369 H VAL 59 H VAL 59 -4.903 -2.447 -2.940 370 HA VAL 59 HA VAL 59 -2.251 -1.900 -4.163 371 HB VAL 59 HB VAL 59 -2.912 -3.905 -1.966 372 HG11 VAL 59 1HG1 VAL 59 -0.591 -3.778 -1.470 373 HG12 VAL 59 2HG1 VAL 59 -0.666 -3.861 -3.235 374 HG13 VAL 59 3HG1 VAL 59 -0.364 -2.301 -2.460 375 HG21 VAL 59 3HG2 VAL 59 -3.765 -1.791 -1.103 376 HG22 VAL 59 1HG2 VAL 59 -2.237 -2.162 -0.322 377 HG23 VAL 59 2HG2 VAL 59 -2.286 -0.939 -1.614 378 H THR 60 H THR 60 -1.223 -3.467 -5.518 379 HA THR 60 HA THR 60 -2.283 -6.170 -5.641 380 HB THR 60 HB THR 60 -3.855 -5.288 -7.137 381 HG1 THR 60 1HG THR 60 -3.267 -6.075 -9.135 382 HG21 THR 60 3HG2 THR 60 -3.112 -3.039 -7.381 383 HG22 THR 60 1HG2 THR 60 -3.383 -3.764 -8.958 384 HG23 THR 60 2HG2 THR 60 -1.713 -3.546 -8.355 385 H GLY 61 H GLY 61 -0.420 -7.365 -5.561 386 HA2 GLY 61 1HA GLY 61 1.808 -6.475 -7.283 387 HA3 GLY 61 2HA GLY 61 2.164 -6.688 -5.550 388 H THR 62 H THR 62 3.646 -8.222 -7.124 389 HA THR 62 HA THR 62 2.526 -10.875 -6.587 390 HB THR 62 HB THR 62 4.107 -10.264 -9.084 391 HG1 THR 62 1HG THR 62 1.815 -9.476 -8.768 392 HG21 THR 62 3HG2 THR 62 4.232 -12.667 -8.307 393 HG22 THR 62 1HG2 THR 62 3.390 -12.495 -9.849 394 HG23 THR 62 2HG2 THR 62 2.466 -12.784 -8.366 395 H THR 63 H THR 63 3.942 -12.322 -5.739 396 HA THR 63 HA THR 63 6.379 -11.251 -4.551 397 HB THR 63 HB THR 63 6.208 -13.073 -3.065 398 HG1 THR 63 1HG THR 63 5.113 -14.894 -3.513 399 HG21 THR 63 3HG2 THR 63 4.021 -13.104 -2.159 400 HG22 THR 63 1HG2 THR 63 3.260 -12.607 -3.669 401 HG23 THR 63 2HG2 THR 63 4.288 -11.469 -2.758 402 H GLN 64 H GLN 64 8.220 -12.752 -4.252 403 HA GLN 64 HA GLN 64 9.581 -13.484 -6.573 404 HB3 GLN 64 2HB GLN 64 9.808 -14.544 -3.741 405 HG3 GLN 64 2HG GLN 64 12.305 -14.380 -4.595 406 HE21 GLN 64 1HE2 GLN 64 11.453 -16.079 -2.902 407 HE22 GLN 64 2HE2 GLN 64 11.479 -17.727 -3.518 408 H SER 65 H SER 65 7.336 -15.460 -4.587 409 HA SER 65 HA SER 65 7.944 -17.934 -5.974 410 HB3 SER 65 2HB SER 65 5.427 -17.276 -4.429 411 HG SER 65 HG SER 65 5.832 -19.443 -3.643 412 H GLY 66 H GLY 66 6.209 -15.108 -6.972 413 HA2 GLY 66 1HA GLY 66 4.995 -14.782 -8.908 414 HA3 GLY 66 2HA GLY 66 4.917 -16.522 -9.185 415 H GLU 67 H GLU 67 4.061 -15.326 -5.940 416 HA GLU 67 HA GLU 67 1.238 -15.992 -6.458 417 HB3 GLU 67 2HB GLU 67 1.052 -15.342 -3.959 418 HG3 GLU 67 2HG GLU 67 2.651 -17.708 -4.915 419 H LYS 68 H LYS 68 -0.292 -14.531 -6.621 420 HA LYS 68 HA LYS 68 0.512 -11.685 -6.710 421 HB3 LYS 68 2HB LYS 68 -1.850 -13.170 -7.941 422 HG3 LYS 68 2HG LYS 68 -0.882 -10.303 -8.069 423 HD3 LYS 68 2HD LYS 68 -2.599 -11.889 -9.958 424 HE3 LYS 68 2HE LYS 68 -2.464 -8.849 -9.943 425 HZ1 LYS 68 3HZ LYS 68 -3.216 -9.735 -11.990 426 HZ2 LYS 68 1HZ LYS 68 -4.630 -9.382 -11.159 427 HZ3 LYS 68 2HZ LYS 68 -4.087 -10.909 -11.273 428 H PHE 69 H PHE 69 -0.491 -10.302 -5.368 429 HA PHE 69 HA PHE 69 -2.626 -11.282 -3.513 430 HB3 PHE 69 2HB PHE 69 -0.527 -11.521 -2.345 431 HD1 PHE 69 1HD PHE 69 1.477 -10.998 -3.880 432 HD2 PHE 69 2HD PHE 69 -0.477 -8.043 -1.471 433 HE1 PHE 69 1HE PHE 69 3.373 -9.455 -4.221 434 HE2 PHE 69 2HE PHE 69 1.376 -6.426 -1.922 435 HZ PHE 69 HZ PHE 69 3.347 -7.158 -3.246 436 H THR 70 H THR 70 -4.252 -9.713 -3.112 437 HA THR 70 HA THR 70 -3.685 -6.947 -3.992 438 HB THR 70 HB THR 70 -5.905 -6.741 -4.850 439 HG1 THR 70 1HG THR 70 -6.013 -9.561 -4.395 440 HG21 THR 70 3HG2 THR 70 -5.619 -7.605 -6.992 441 HG22 THR 70 1HG2 THR 70 -4.576 -8.948 -6.420 442 HG23 THR 70 2HG2 THR 70 -3.995 -7.278 -6.364 443 H GLY 71 H GLY 71 -4.939 -5.330 -3.047 444 HA2 GLY 71 1HA GLY 71 -5.809 -5.974 -0.279 445 HA3 GLY 71 2HA GLY 71 -5.322 -4.394 -0.915 446 H HIS 72 H HIS 72 -6.911 -3.684 -2.824 447 HA HIS 72 HA HIS 72 -8.736 -2.485 -3.061 448 HB3 HIS 72 2HB HIS 72 -10.781 -3.666 -3.488 449 HD1 HIS 72 1HD HIS 72 -9.629 -3.231 -5.949 450 HD2 HIS 72 2HD HIS 72 -8.598 -6.790 -3.898 451 HE1 HIS 72 1HE HIS 72 -8.449 -4.758 -7.619 452 H PHE 73 H PHE 73 -8.728 -0.965 -1.476 453 HA PHE 73 HA PHE 73 -10.316 -1.543 0.977 454 HB3 PHE 73 2HB PHE 73 -8.781 -0.122 2.203 455 HD1 PHE 73 1HD PHE 73 -9.003 -2.711 2.774 456 HD2 PHE 73 2HD PHE 73 -5.869 -0.952 0.410 457 HE1 PHE 73 1HE PHE 73 -7.419 -4.554 3.463 458 HE2 PHE 73 2HE PHE 73 -4.312 -2.759 1.125 459 HZ PHE 73 HZ PHE 73 -5.125 -4.547 2.660 460 H LYS 74 H LYS 74 -11.579 0.078 1.746 461 HA LYS 74 HA LYS 74 -11.604 2.732 0.433 462 HB3 LYS 74 2HB LYS 74 -14.193 2.544 0.526 463 HG3 LYS 74 2HG LYS 74 -12.595 0.952 -1.521 464 HD3 LYS 74 2HD LYS 74 -15.481 1.157 -1.235 465 HE3 LYS 74 2HE LYS 74 -14.170 2.481 -3.641 466 HZ1 LYS 74 3HZ LYS 74 -16.952 1.554 -3.392 467 HZ2 LYS 74 1HZ LYS 74 -15.804 0.871 -4.347 468 HZ3 LYS 74 2HZ LYS 74 -16.305 2.401 -4.674 469 H GLY 75 H GLY 75 -13.121 4.182 1.768 470 HA2 GLY 75 1HA GLY 75 -13.928 5.004 3.704 471 HA3 GLY 75 2HA GLY 75 -13.709 3.414 4.466 472 H LEU 76 H LEU 76 -11.028 5.107 2.936 473 HA LEU 76 HA LEU 76 -9.569 4.916 5.492 474 HB3 LEU 76 2HB LEU 76 -7.616 5.517 4.153 475 HG LEU 76 HG LEU 76 -9.355 3.574 2.551 476 HD11 LEU 76 1HD1 LEU 76 -7.313 2.676 1.642 477 HD12 LEU 76 2HD1 LEU 76 -6.337 3.816 2.608 478 HD13 LEU 76 3HD1 LEU 76 -7.377 4.423 1.313 479 HD21 LEU 76 3HD2 LEU 76 -8.228 1.779 3.767 480 HD22 LEU 76 1HD2 LEU 76 -9.090 2.813 4.891 481 HD23 LEU 76 2HD2 LEU 76 -7.328 2.978 4.741 482 H VAL 77 H VAL 77 -8.384 6.726 6.417 483 HA VAL 77 HA VAL 77 -9.182 9.466 5.707 484 HB VAL 77 HB VAL 77 -9.570 9.902 8.211 485 HG11 VAL 77 1HG1 VAL 77 -11.312 10.079 6.547 486 HG12 VAL 77 2HG1 VAL 77 -11.654 8.338 6.680 487 HG13 VAL 77 3HG1 VAL 77 -11.930 9.411 8.068 488 HG21 VAL 77 3HG2 VAL 77 -10.192 6.923 8.292 489 HG22 VAL 77 1HG2 VAL 77 -8.775 7.682 9.047 490 HG23 VAL 77 2HG2 VAL 77 -10.401 8.119 9.588 491 H GLY 78 H GLY 78 -7.979 11.002 7.381 492 HA2 GLY 78 1HA GLY 78 -6.039 11.679 8.377 493 HA3 GLY 78 2HA GLY 78 -5.348 10.062 8.153 494 H LYS 79 H LYS 79 -3.751 12.242 7.597 495 HA LYS 79 HA LYS 79 -3.782 12.703 4.721 496 HB3 LYS 79 2HB LYS 79 -1.596 13.768 6.483 497 HG3 LYS 79 2HG LYS 79 -3.527 15.011 4.475 498 HD3 LYS 79 2HD LYS 79 -0.754 16.036 5.190 499 HE3 LYS 79 2HE LYS 79 -3.371 17.265 4.255 500 HZ1 LYS 79 3HZ LYS 79 -1.626 18.705 5.444 501 HZ2 LYS 79 1HZ LYS 79 -2.263 19.237 4.031 502 HZ3 LYS 79 2HZ LYS 79 -0.754 18.571 4.046 503 H ASP 80 H ASP 80 -2.750 10.133 6.429 504 HA ASP 80 HA ASP 80 -0.749 9.592 4.351 505 HB3 ASP 80 2HB ASP 80 0.698 9.904 6.261 506 H THR 81 H THR 81 -0.655 7.497 3.684 507 HA THR 81 HA THR 81 -2.649 5.617 4.768 508 HB THR 81 HB THR 81 -1.793 5.546 1.858 509 HG1 THR 81 1HG THR 81 -2.778 7.432 1.766 510 HG21 THR 81 3HG2 THR 81 -4.297 4.683 3.354 511 HG22 THR 81 1HG2 THR 81 -3.005 3.592 2.793 512 HG23 THR 81 2HG2 THR 81 -4.018 4.458 1.614 513 H ARG 82 H ARG 82 -1.860 3.350 4.709 514 HA ARG 82 HA ARG 82 0.934 2.996 3.803 515 HB3 ARG 82 2HB ARG 82 1.553 1.672 5.708 516 HG3 ARG 82 2HG ARG 82 0.123 3.999 7.014 517 HD3 ARG 82 2HD ARG 82 2.857 2.885 7.645 518 HE ARG 82 HE ARG 82 0.842 4.546 8.998 519 HH11 ARG 82 1HH1 ARG 82 3.828 2.643 9.586 520 HH12 ARG 82 2HH1 ARG 82 4.196 3.545 11.010 521 HH21 ARG 82 1HH2 ARG 82 1.275 5.559 10.806 522 HH22 ARG 82 2HH2 ARG 82 2.649 5.183 11.828 523 H VAL 83 H VAL 83 1.382 0.518 3.980 524 HA VAL 83 HA VAL 83 -0.963 -1.187 3.498 525 HB VAL 83 HB VAL 83 1.456 -0.961 1.679 526 HG11 VAL 83 1HG1 VAL 83 -0.949 -2.812 1.535 527 HG12 VAL 83 2HG1 VAL 83 0.364 -2.739 0.333 528 HG13 VAL 83 3HG1 VAL 83 0.698 -3.310 1.969 529 HG21 VAL 83 3HG2 VAL 83 -1.460 -0.309 1.099 530 HG22 VAL 83 1HG2 VAL 83 -0.089 0.811 1.080 531 HG23 VAL 83 2HG2 VAL 83 -0.192 -0.462 -0.141 532 H PHE 84 H PHE 84 -0.648 -2.702 5.107 533 HA PHE 84 HA PHE 84 2.105 -3.536 5.867 534 HB3 PHE 84 2HB PHE 84 0.842 -4.760 7.683 535 HD1 PHE 84 1HD PHE 84 2.421 -1.889 7.091 536 HD2 PHE 84 2HD PHE 84 -0.670 -3.276 9.709 537 HE1 PHE 84 1HE PHE 84 3.035 -0.135 8.708 538 HE2 PHE 84 2HE PHE 84 -0.140 -1.494 11.280 539 HZ PHE 84 HZ PHE 84 1.728 0.091 10.826 540 H ILE 85 H ILE 85 2.667 -4.861 4.227 541 HA ILE 85 HA ILE 85 0.771 -6.906 3.242 542 HB ILE 85 HB ILE 85 3.770 -6.741 2.757 543 HG13 ILE 85 2HG1 ILE 85 2.634 -4.685 1.863 544 HG21 ILE 85 1HG2 ILE 85 2.548 -8.946 2.437 545 HG22 ILE 85 2HG2 ILE 85 1.550 -8.173 1.207 546 HG23 ILE 85 3HG2 ILE 85 3.311 -8.339 0.972 547 HD11 ILE 85 3HD1 ILE 85 3.455 -6.534 -0.397 548 HD12 ILE 85 1HD1 ILE 85 3.346 -4.769 -0.431 549 HD13 ILE 85 2HD1 ILE 85 4.556 -5.556 0.602 550 H GLU 86 H GLU 86 0.461 -8.657 4.500 551 HA GLU 86 HA GLU 86 2.470 -10.000 5.991 552 HB3 GLU 86 2HB GLU 86 1.959 -8.363 7.743 553 HG3 GLU 86 2HG GLU 86 -0.965 -9.170 7.462 554 H LEU 87 H LEU 87 1.246 -11.989 6.972 555 HA LEU 87 HA LEU 87 -0.391 -12.980 4.725 556 HB3 LEU 87 2HB LEU 87 0.223 -15.152 5.443 557 HG LEU 87 HG LEU 87 2.611 -13.301 5.902 558 HD11 LEU 87 1HD1 LEU 87 2.893 -15.250 7.329 559 HD12 LEU 87 2HD1 LEU 87 4.022 -15.242 5.976 560 HD13 LEU 87 3HD1 LEU 87 2.601 -16.313 5.938 561 HD21 LEU 87 3HD2 LEU 87 3.392 -14.297 3.790 562 HD22 LEU 87 1HD2 LEU 87 1.834 -13.467 3.587 563 HD23 LEU 87 2HD2 LEU 87 1.895 -15.241 3.667 564 H ASP 88 H ASP 88 -2.255 -14.492 5.255 565 HA ASP 88 HA ASP 88 -3.104 -14.689 7.943 566 HB3 ASP 88 2HB ASP 88 -5.257 -13.403 6.252 567 H GLU 89 H GLU 89 -5.621 -15.749 7.688 568 HA GLU 89 HA GLU 89 -6.994 -17.298 6.891 569 HB3 GLU 89 2HB GLU 89 -7.395 -17.498 4.659 570 HG3 GLU 89 2HG GLU 89 -7.139 -15.391 3.523 571 H ASN 90 H ASN 90 -4.036 -18.172 5.181 572 HA ASN 90 HA ASN 90 -3.654 -20.650 6.663 573 HB3 ASN 90 2HB ASN 90 -5.279 -21.395 4.912 574 HD21 ASN 90 1HD2 ASN 90 -5.324 -19.171 3.457 575 HD22 ASN 90 2HD2 ASN 90 -4.571 -19.391 1.876 576 H ALA 91 H ALA 91 -2.335 -18.266 6.630 577 HA ALA 91 HA ALA 91 -0.509 -17.095 6.185 578 HB1 ALA 91 1HB ALA 91 0.507 -19.006 7.355 579 HB2 ALA 91 2HB ALA 91 0.802 -19.804 5.791 580 HB3 ALA 91 3HB ALA 91 1.611 -18.272 6.188 581 H ASP 92 H ASP 92 -2.213 -17.160 4.080 582 HA ASP 92 HA ASP 92 -0.604 -17.337 1.552 583 HB3 ASP 92 2HB ASP 92 -2.866 -16.146 0.721 584 H VAL 93 H VAL 93 -0.579 -15.301 0.289 585 HA VAL 93 HA VAL 93 -0.065 -13.179 2.143 586 HB VAL 93 HB VAL 93 0.175 -13.119 -0.907 587 HG11 VAL 93 1HG1 VAL 93 0.265 -10.893 0.191 588 HG12 VAL 93 2HG1 VAL 93 1.532 -11.481 1.274 589 HG13 VAL 93 3HG1 VAL 93 1.838 -11.339 -0.481 590 HG21 VAL 93 3HG2 VAL 93 1.530 -14.968 -0.252 591 HG22 VAL 93 1HG2 VAL 93 2.635 -13.608 -0.442 592 HG23 VAL 93 2HG2 VAL 93 2.111 -14.126 1.182 593 H GLN 94 H GLN 94 -1.555 -11.929 2.888 594 HA GLN 94 HA GLN 94 -3.895 -11.130 1.226 595 HB3 GLN 94 2HB GLN 94 -4.913 -10.495 3.370 596 HG3 GLN 94 2HG GLN 94 -5.437 -12.522 4.344 597 HE21 GLN 94 1HE2 GLN 94 -3.904 -14.459 1.994 598 HE22 GLN 94 2HE2 GLN 94 -5.190 -14.511 0.813 599 H VAL 95 H VAL 95 -4.425 -8.725 2.646 600 HA VAL 95 HA VAL 95 -1.931 -7.242 2.819 601 HB VAL 95 HB VAL 95 -4.231 -6.143 1.148 602 HG11 VAL 95 1HG1 VAL 95 -2.594 -4.368 0.580 603 HG12 VAL 95 2HG1 VAL 95 -2.890 -4.412 2.322 604 HG13 VAL 95 3HG1 VAL 95 -1.408 -5.128 1.667 605 HG21 VAL 95 3HG2 VAL 95 -3.102 -7.877 -0.198 606 HG22 VAL 95 1HG2 VAL 95 -2.751 -6.256 -0.804 607 HG23 VAL 95 2HG2 VAL 95 -1.534 -7.125 0.178 608 H PHE 96 H PHE 96 -2.055 -5.813 4.493 609 HA PHE 96 HA PHE 96 -4.689 -5.324 5.738 610 HB3 PHE 96 2HB PHE 96 -1.988 -5.838 7.058 611 HD1 PHE 96 2HD PHE 96 -5.646 -6.495 7.733 612 HD2 PHE 96 1HD PHE 96 -1.981 -4.730 9.108 613 HE1 PHE 96 2HE PHE 96 -6.800 -5.708 9.795 614 HE2 PHE 96 1HE PHE 96 -3.127 -3.949 11.192 615 HZ PHE 96 HZ PHE 96 -5.541 -4.418 11.505 616 H ILE 97 H ILE 97 -4.445 -3.433 7.363 617 HA ILE 97 HA ILE 97 -2.485 -1.444 6.683 618 HB ILE 97 HB ILE 97 -4.479 0.252 6.327 619 HG13 ILE 97 2HG1 ILE 97 -6.319 -1.399 6.612 620 HG21 ILE 97 1HG2 ILE 97 -3.749 -1.443 3.927 621 HG22 ILE 97 2HG2 ILE 97 -4.063 0.302 4.018 622 HG23 ILE 97 3HG2 ILE 97 -2.608 -0.355 4.756 623 HD11 ILE 97 3HD1 ILE 97 -7.688 -0.761 4.734 624 HD12 ILE 97 1HD1 ILE 97 -6.658 0.625 5.156 625 HD13 ILE 97 2HD1 ILE 97 -6.266 -0.395 3.745 626 HA PRO 98 HA PRO 98 -3.765 -0.423 10.828 627 HB3 PRO 98 2HB PRO 98 -1.611 0.321 11.245 628 HG3 PRO 98 2HG PRO 98 -0.317 1.337 9.538 629 HD3 PRO 98 2HD PRO 98 -1.040 -0.546 8.313 630 H GLN 99 H GLN 99 -5.929 0.190 10.850 631 HA GLN 99 HA GLN 99 -6.659 2.965 10.186 632 HB3 GLN 99 2HB GLN 99 -8.927 2.006 9.454 633 HG3 GLN 99 2HG GLN 99 -8.325 1.469 7.157 634 HE21 GLN 99 1HE2 GLN 99 -5.337 3.157 7.856 635 HE22 GLN 99 2HE2 GLN 99 -5.904 4.731 7.288 636 H GLY 100 H GLY 100 -9.001 3.286 11.327 637 HA2 GLY 100 1HA GLY 100 -9.579 1.707 13.610 638 HA3 GLY 100 2HA GLY 100 -8.509 3.027 14.091 639 H GLU 101 H GLU 101 -9.386 5.037 12.319 640 HA GLU 101 HA GLU 101 -12.069 5.707 13.383 641 HB3 GLU 101 2HB GLU 101 -11.529 7.913 12.255 642 HG3 GLU 101 2HG GLU 101 -9.663 6.827 14.412 643 H ILE 102 H ILE 102 -12.764 3.710 12.117 644 HA ILE 102 HA ILE 102 -13.871 4.602 9.596 645 HB ILE 102 HB ILE 102 -12.093 3.265 8.823 646 HG13 ILE 102 2HG1 ILE 102 -14.482 2.969 8.024 647 HG21 ILE 102 1HG2 ILE 102 -11.595 0.956 9.505 648 HG22 ILE 102 2HG2 ILE 102 -11.408 2.052 10.875 649 HG23 ILE 102 3HG2 ILE 102 -12.853 1.025 10.751 650 HD11 ILE 102 3HD1 ILE 102 -13.987 1.180 6.465 651 HD12 ILE 102 1HD1 ILE 102 -12.522 2.151 6.691 652 HD13 ILE 102 2HD1 ILE 102 -12.678 0.567 7.491 653 H ASP 103 H ASP 103 -15.916 4.733 10.034 654 HA ASP 103 HA ASP 103 -17.250 2.943 11.987 655 HB3 ASP 103 2HB ASP 103 -18.635 5.133 12.432 Start of MODEL 4 1 H1 GLY 1 H GLY 1 13.277 24.249 7.038 2 HA2 GLY 1 1HA GLY 1 11.315 22.790 7.059 3 HA3 GLY 1 2HA GLY 1 11.203 24.042 8.312 4 H ALA 2 H ALA 2 9.116 22.530 6.743 5 HA ALA 2 HA ALA 2 7.823 24.400 5.007 6 HB1 ALA 2 1HB ALA 2 6.582 22.074 6.536 7 HB2 ALA 2 2HB ALA 2 5.990 22.821 5.034 8 HB3 ALA 2 3HB ALA 2 7.495 21.894 5.023 9 H GLN 3 H GLN 3 5.354 24.841 5.604 10 HA GLN 3 HA GLN 3 4.940 25.545 8.406 11 HB3 GLN 3 2HB GLN 3 3.754 27.619 6.657 12 HG3 GLN 3 2HG GLN 3 4.655 29.144 8.337 13 HE21 GLN 3 1HE2 GLN 3 2.210 28.744 8.419 14 HE22 GLN 3 2HE2 GLN 3 1.569 27.818 9.777 15 H ASP 4 H ASP 4 3.413 25.779 5.123 16 HA ASP 4 HA ASP 4 1.497 23.687 5.947 17 HB3 ASP 4 2HB ASP 4 0.508 26.282 4.794 18 H GLY 5 H GLY 5 3.657 24.478 3.781 19 HA2 GLY 5 1HA GLY 5 2.277 24.437 1.249 20 HA3 GLY 5 2HA GLY 5 4.020 24.343 1.527 21 H LYS 6 H LYS 6 1.414 22.193 2.673 22 HA LYS 6 HA LYS 6 2.129 20.011 0.831 23 HB3 LYS 6 2HB LYS 6 1.779 18.427 2.857 24 HG3 LYS 6 2HG LYS 6 4.174 19.445 1.701 25 HD3 LYS 6 2HD LYS 6 4.333 19.157 4.736 26 HE3 LYS 6 2HE LYS 6 6.822 19.366 4.327 27 HZ1 LYS 6 3HZ LYS 6 5.916 17.202 4.865 28 HZ2 LYS 6 1HZ LYS 6 7.159 17.049 3.776 29 HZ3 LYS 6 2HZ LYS 6 5.577 16.875 3.321 30 H GLU 7 H GLU 7 0.192 19.962 -0.200 31 HA GLU 7 HA GLU 7 -2.272 20.022 1.451 32 HB3 GLU 7 2HB GLU 7 -2.300 21.350 -1.237 33 HG3 GLU 7 2HG GLU 7 -3.392 22.103 1.524 34 H THR 8 H THR 8 -0.666 17.916 0.528 35 HA THR 8 HA THR 8 -2.228 16.452 -1.470 36 HB THR 8 HB THR 8 0.243 15.347 -1.527 37 HG1 THR 8 1HG THR 8 1.828 16.694 -0.971 38 HG21 THR 8 3HG2 THR 8 -0.975 16.347 -3.416 39 HG22 THR 8 1HG2 THR 8 0.745 16.759 -3.436 40 HG23 THR 8 2HG2 THR 8 -0.446 17.961 -2.885 41 H THR 9 H THR 9 -1.546 13.994 -1.167 42 HA THR 9 HA THR 9 -1.555 13.297 1.727 43 HB THR 9 HB THR 9 -1.993 10.970 0.738 44 HG1 THR 9 1HG THR 9 -2.948 12.466 -1.486 45 HG21 THR 9 3HG2 THR 9 -4.138 13.060 0.502 46 HG22 THR 9 1HG2 THR 9 -3.528 12.322 2.001 47 HG23 THR 9 2HG2 THR 9 -4.337 11.301 0.834 48 H THR 10 H THR 10 -0.313 10.939 1.712 49 HA THR 10 HA THR 10 1.925 10.951 -0.097 50 HB THR 10 HB THR 10 2.299 10.324 2.841 51 HG1 THR 10 1HG THR 10 1.745 12.496 2.835 52 HG21 THR 10 3HG2 THR 10 4.726 10.623 2.307 53 HG22 THR 10 1HG2 THR 10 4.311 11.318 0.718 54 HG23 THR 10 2HG2 THR 10 4.035 9.617 1.064 55 H ILE 11 H ILE 11 2.742 8.495 -0.168 56 HA ILE 11 HA ILE 11 0.837 6.686 1.206 57 HB ILE 11 HB ILE 11 1.594 6.614 -1.727 58 HG13 ILE 11 2HG1 ILE 11 -0.374 8.051 -0.980 59 HG21 ILE 11 1HG2 ILE 11 1.763 4.326 -0.807 60 HG22 ILE 11 2HG2 ILE 11 0.168 4.482 -0.039 61 HG23 ILE 11 3HG2 ILE 11 0.328 4.437 -1.806 62 HD11 ILE 11 3HD1 ILE 11 -2.024 7.273 -2.542 63 HD12 ILE 11 1HD1 ILE 11 -0.409 7.279 -3.236 64 HD13 ILE 11 2HD1 ILE 11 -1.146 5.743 -2.780 65 H ARG 12 H ARG 12 1.819 4.879 2.063 66 HA ARG 12 HA ARG 12 4.764 4.642 1.731 67 HB3 ARG 12 2HB ARG 12 3.685 4.250 4.473 68 HG3 ARG 12 2HG ARG 12 5.872 5.979 4.508 69 HD3 ARG 12 2HD ARG 12 7.044 3.400 4.585 70 HE ARG 12 HE ARG 12 6.449 5.507 6.383 71 HH11 ARG 12 1HH1 ARG 12 7.126 2.048 6.538 72 HH12 ARG 12 2HH1 ARG 12 7.173 1.945 8.267 73 HH21 ARG 12 1HH2 ARG 12 6.776 5.479 8.649 74 HH22 ARG 12 2HH2 ARG 12 7.056 3.999 9.510 75 H LEU 13 H LEU 13 5.368 2.648 1.249 76 HA LEU 13 HA LEU 13 3.460 0.390 1.678 77 HB3 LEU 13 2HB LEU 13 5.226 -0.547 -0.145 78 HG LEU 13 HG LEU 13 3.820 0.451 -2.018 79 HD11 LEU 13 1HD1 LEU 13 2.535 -1.220 0.146 80 HD12 LEU 13 2HD1 LEU 13 3.445 -1.772 -1.272 81 HD13 LEU 13 3HD1 LEU 13 1.859 -0.989 -1.493 82 HD21 LEU 13 3HD2 LEU 13 2.983 2.425 -0.780 83 HD22 LEU 13 1HD2 LEU 13 2.023 1.380 0.254 84 HD23 LEU 13 2HD2 LEU 13 1.671 1.450 -1.478 85 H ILE 14 H ILE 14 4.088 -1.131 3.230 86 HA ILE 14 HA ILE 14 6.991 -1.485 3.734 87 HB ILE 14 HB ILE 14 4.822 -1.898 5.797 88 HG13 ILE 14 2HG1 ILE 14 6.408 0.677 5.336 89 HG21 ILE 14 1HG2 ILE 14 7.802 -1.332 6.175 90 HG22 ILE 14 2HG2 ILE 14 6.637 -1.910 7.362 91 HG23 ILE 14 3HG2 ILE 14 7.136 -2.951 6.014 92 HD11 ILE 14 3HD1 ILE 14 4.217 1.114 4.513 93 HD12 ILE 14 1HD1 ILE 14 3.467 0.075 5.732 94 HD13 ILE 14 2HD1 ILE 14 4.140 1.636 6.207 95 H ASN 15 H ASN 15 7.685 -3.464 3.262 96 HA ASN 15 HA ASN 15 5.848 -5.611 2.634 97 HB3 ASN 15 2HB ASN 15 8.889 -5.609 2.717 98 HD21 ASN 15 1HD2 ASN 15 9.784 -7.126 1.159 99 HD22 ASN 15 2HD2 ASN 15 9.001 -8.700 1.088 100 H GLN 16 H GLN 16 5.145 -5.683 5.149 101 HA GLN 16 HA GLN 16 7.196 -6.674 6.941 102 HB3 GLN 16 2HB GLN 16 5.583 -6.394 8.687 103 HG3 GLN 16 2HG GLN 16 5.138 -4.163 6.674 104 HE21 GLN 16 1HE2 GLN 16 6.594 -3.564 9.781 105 HE22 GLN 16 2HE2 GLN 16 5.135 -2.885 10.503 106 H THR 17 H THR 17 7.181 -8.559 5.081 107 HA THR 17 HA THR 17 5.741 -10.947 6.160 108 HB THR 17 HB THR 17 5.555 -11.718 3.874 109 HG1 THR 17 1HG THR 17 6.410 -9.335 2.706 110 HG21 THR 17 3HG2 THR 17 3.918 -10.218 2.994 111 HG22 THR 17 1HG2 THR 17 4.535 -8.863 3.962 112 HG23 THR 17 2HG2 THR 17 3.769 -10.267 4.740 113 H TYR 18 H TYR 18 6.801 -12.961 5.119 114 HA TYR 18 HA TYR 18 9.676 -12.920 5.599 115 HB3 TYR 18 2HB TYR 18 8.111 -14.652 6.539 116 HD1 TYR 18 1HD TYR 18 6.695 -14.416 3.539 117 HD2 TYR 18 2HD TYR 18 8.855 -17.432 5.770 118 HE1 TYR 18 1HE TYR 18 5.551 -16.208 2.272 119 HE2 TYR 18 2HE TYR 18 7.692 -19.192 4.490 120 HH TYR 18 HH TYR 18 5.751 -18.478 1.634 121 H PHE 19 H PHE 19 8.222 -11.912 2.831 122 HA PHE 19 HA PHE 19 10.217 -13.325 1.136 123 HB3 PHE 19 2HB PHE 19 8.172 -14.346 0.600 124 HD1 PHE 19 2HD PHE 19 7.536 -10.706 -0.413 125 HD2 PHE 19 1HD PHE 19 5.889 -14.407 1.133 126 HE1 PHE 19 2HE PHE 19 5.356 -9.632 -0.090 127 HE2 PHE 19 1HE PHE 19 3.786 -13.270 1.543 128 HZ PHE 19 HZ PHE 19 3.479 -10.906 0.896 129 H ASN 20 H ASN 20 9.837 -11.942 -1.189 130 HA ASN 20 HA ASN 20 10.583 -9.095 -0.754 131 HB3 ASN 20 2HB ASN 20 11.884 -11.338 -2.323 132 HD21 ASN 20 1HD2 ASN 20 11.972 -10.879 -4.563 133 HD22 ASN 20 2HD2 ASN 20 12.591 -9.360 -5.149 134 H VAL 21 H VAL 21 9.791 -7.745 -2.558 135 HA VAL 21 HA VAL 21 8.017 -9.054 -4.558 136 HB VAL 21 HB VAL 21 6.369 -7.190 -4.079 137 HG11 VAL 21 1HG1 VAL 21 5.773 -9.445 -3.581 138 HG12 VAL 21 2HG1 VAL 21 6.669 -9.424 -2.062 139 HG13 VAL 21 3HG1 VAL 21 5.217 -8.431 -2.253 140 HG21 VAL 21 3HG2 VAL 21 6.250 -6.310 -1.787 141 HG22 VAL 21 1HG2 VAL 21 7.670 -7.244 -1.298 142 HG23 VAL 21 2HG2 VAL 21 7.860 -5.939 -2.480 143 H LYS 22 H LYS 22 7.929 -7.883 -6.522 144 HA LYS 22 HA LYS 22 9.923 -5.651 -6.806 145 HB3 LYS 22 2HB LYS 22 11.175 -7.715 -6.835 146 HG3 LYS 22 2HG LYS 22 10.567 -9.162 -9.045 147 HD3 LYS 22 2HD LYS 22 9.446 -9.577 -6.242 148 HE3 LYS 22 2HE LYS 22 7.891 -10.622 -7.818 149 HZ1 LYS 22 3HZ LYS 22 10.345 -11.905 -8.864 150 HZ2 LYS 22 1HZ LYS 22 9.297 -10.996 -9.720 151 HZ3 LYS 22 2HZ LYS 22 8.830 -12.487 -9.151 152 H ASN 23 H ASN 23 7.153 -5.560 -7.119 153 HA ASN 23 HA ASN 23 6.727 -4.702 -9.797 154 HB3 ASN 23 2HB ASN 23 6.870 -6.989 -10.522 155 HD21 ASN 23 1HD2 ASN 23 4.756 -6.992 -7.579 156 HD22 ASN 23 2HD2 ASN 23 5.341 -8.608 -7.081 157 H ILE 24 H ILE 24 6.022 -4.030 -6.911 158 HA ILE 24 HA ILE 24 3.228 -4.667 -6.446 159 HB ILE 24 HB ILE 24 4.952 -2.424 -5.328 160 HG13 ILE 24 2HG1 ILE 24 6.013 -4.691 -4.906 161 HG21 ILE 24 1HG2 ILE 24 2.866 -3.673 -3.617 162 HG22 ILE 24 2HG2 ILE 24 3.400 -1.994 -3.728 163 HG23 ILE 24 3HG2 ILE 24 2.277 -2.643 -4.926 164 HD11 ILE 24 3HD1 ILE 24 6.177 -2.670 -3.342 165 HD12 ILE 24 1HD1 ILE 24 4.940 -3.492 -2.345 166 HD13 ILE 24 2HD1 ILE 24 6.500 -4.253 -2.649 167 H LYS 25 H LYS 25 1.493 -3.702 -7.435 168 HA LYS 25 HA LYS 25 1.787 -1.021 -8.680 169 HB3 LYS 25 2HB LYS 25 -0.587 -2.839 -9.046 170 HG3 LYS 25 2HG LYS 25 -0.727 -2.244 -11.304 171 HD3 LYS 25 2HD LYS 25 -0.420 0.319 -11.407 172 HE3 LYS 25 2HE LYS 25 -2.307 0.722 -9.696 173 HZ1 LYS 25 3HZ LYS 25 -3.245 -1.369 -11.445 174 HZ2 LYS 25 1HZ LYS 25 -2.436 -0.161 -12.193 175 HZ3 LYS 25 2HZ LYS 25 -3.747 0.193 -11.295 176 H VAL 26 H VAL 26 0.760 0.630 -7.475 177 HA VAL 26 HA VAL 26 -1.367 -0.242 -5.578 178 HB VAL 26 HB VAL 26 0.776 0.734 -4.570 179 HG11 VAL 26 1HG1 VAL 26 -0.411 3.359 -5.493 180 HG12 VAL 26 2HG1 VAL 26 1.077 3.120 -4.604 181 HG13 VAL 26 3HG1 VAL 26 0.951 2.600 -6.315 182 HG21 VAL 26 3HG2 VAL 26 -1.870 2.089 -3.936 183 HG22 VAL 26 1HG2 VAL 26 -1.274 0.539 -3.297 184 HG23 VAL 26 2HG2 VAL 26 -0.436 2.038 -2.894 185 H THR 27 H THR 27 -3.264 1.152 -5.608 186 HA THR 27 HA THR 27 -3.422 3.129 -7.785 187 HB THR 27 HB THR 27 -5.807 1.445 -7.067 188 HG1 THR 27 1HG THR 27 -4.386 -0.131 -7.489 189 HG21 THR 27 3HG2 THR 27 -4.903 2.689 -9.692 190 HG22 THR 27 1HG2 THR 27 -6.117 3.349 -8.581 191 HG23 THR 27 2HG2 THR 27 -6.422 1.824 -9.425 192 H TRP 28 H TRP 28 -4.567 5.002 -6.995 193 HA TRP 28 HA TRP 28 -5.604 4.881 -4.196 194 HB3 TRP 28 2HB TRP 28 -3.289 5.558 -4.081 195 HD1 TRP 28 HD TRP 28 -4.431 9.049 -5.103 196 HE1 TRP 28 1HE TRP 28 -2.634 10.064 -6.673 197 HE3 TRP 28 3HE TRP 28 -1.788 4.871 -5.955 198 HZ2 TRP 28 2HZ TRP 28 -0.151 9.186 -7.811 199 HZ3 TRP 28 3HZ TRP 28 0.394 4.942 -7.262 200 HH2 TRP 28 HH TRP 28 1.187 7.118 -8.207 201 H ASN 29 H ASN 29 -6.897 5.018 -6.826 202 HA ASN 29 HA ASN 29 -8.857 6.922 -6.236 203 HB3 ASN 29 2HB ASN 29 -7.716 7.870 -8.830 204 HD21 ASN 29 1HD2 ASN 29 -7.942 9.126 -5.450 205 HD22 ASN 29 2HD2 ASN 29 -9.198 10.298 -5.816 206 H ASP 30 H ASP 30 -10.200 7.267 -8.548 207 HA ASP 30 HA ASP 30 -10.504 4.534 -9.681 208 HB3 ASP 30 2HB ASP 30 -12.409 5.814 -10.955 209 H GLY 31 H GLY 31 -8.225 4.829 -10.345 210 HA2 GLY 31 1HA GLY 31 -7.568 4.468 -12.679 211 HA3 GLY 31 2HA GLY 31 -8.048 6.121 -13.039 212 H LYS 32 H LYS 32 -6.492 6.469 -10.060 213 HA LYS 32 HA LYS 32 -4.007 7.169 -11.448 214 HB3 LYS 32 2HB LYS 32 -4.269 7.802 -8.552 215 HG3 LYS 32 2HG LYS 32 -3.586 9.986 -9.275 216 HD3 LYS 32 2HD LYS 32 -1.881 7.836 -9.736 217 HE3 LYS 32 2HE LYS 32 -1.981 9.628 -12.194 218 HZ1 LYS 32 3HZ LYS 32 0.262 9.228 -11.755 219 HZ2 LYS 32 1HZ LYS 32 -0.106 8.118 -12.902 220 HZ3 LYS 32 2HZ LYS 32 0.023 7.616 -11.378 221 H GLU 33 H GLU 33 -2.223 5.843 -11.372 222 HA GLU 33 HA GLU 33 -1.755 4.207 -8.980 223 HB3 GLU 33 2HB GLU 33 -2.834 2.697 -10.460 224 HG3 GLU 33 2HG GLU 33 -2.687 3.790 -12.654 225 H GLN 34 H GLN 34 0.442 3.101 -9.285 226 HA GLN 34 HA GLN 34 2.274 3.810 -11.141 227 HB3 GLN 34 2HB GLN 34 2.452 5.961 -9.726 228 HG3 GLN 34 2HG GLN 34 2.981 4.421 -7.523 229 HE21 GLN 34 1HE2 GLN 34 4.809 3.101 -6.974 230 HE22 GLN 34 2HE2 GLN 34 6.455 3.469 -7.491 231 H THR 35 H THR 35 4.619 2.682 -10.462 232 HA THR 35 HA THR 35 3.922 0.372 -8.745 233 HB THR 35 HB THR 35 4.871 -1.125 -10.370 234 HG1 THR 35 1HG THR 35 6.326 -0.071 -11.458 235 HG21 THR 35 3HG2 THR 35 2.469 -0.395 -10.547 236 HG22 THR 35 1HG2 THR 35 3.172 -1.103 -12.014 237 HG23 THR 35 2HG2 THR 35 2.927 0.661 -11.880 238 H VAL 36 H VAL 36 5.599 -0.622 -7.571 239 HA VAL 36 HA VAL 36 7.809 1.267 -7.006 240 HB VAL 36 HB VAL 36 6.750 -1.154 -5.522 241 HG11 VAL 36 1HG1 VAL 36 8.250 -0.527 -3.648 242 HG12 VAL 36 2HG1 VAL 36 9.154 -1.052 -5.060 243 HG13 VAL 36 3HG1 VAL 36 9.038 0.676 -4.689 244 HG21 VAL 36 3HG2 VAL 36 6.089 0.490 -3.823 245 HG22 VAL 36 1HG2 VAL 36 6.767 1.809 -4.811 246 HG23 VAL 36 2HG2 VAL 36 5.364 0.888 -5.381 247 H ASN 37 H ASN 37 9.968 0.811 -7.286 248 HA ASN 37 HA ASN 37 10.800 -0.928 -9.291 249 HB3 ASN 37 2HB ASN 37 12.495 0.106 -6.979 250 HD21 ASN 37 1HD2 ASN 37 14.398 -1.273 -7.241 251 HD22 ASN 37 2HD2 ASN 37 15.073 -1.605 -8.809 252 H THR 38 H THR 38 11.395 -1.454 -5.730 253 HA THR 38 HA THR 38 10.444 -4.110 -5.745 254 HB THR 38 HB THR 38 13.425 -3.577 -5.454 255 HG1 THR 38 1HG THR 38 12.261 -4.231 -7.534 256 HG21 THR 38 3HG2 THR 38 12.797 -5.125 -3.632 257 HG22 THR 38 1HG2 THR 38 13.727 -5.913 -4.858 258 HG23 THR 38 2HG2 THR 38 11.987 -6.185 -4.825 259 H LEU 39 H LEU 39 10.400 -4.905 -3.527 260 HA LEU 39 HA LEU 39 11.138 -3.036 -1.440 261 HB3 LEU 39 2HB LEU 39 8.532 -4.477 -1.091 262 HG LEU 39 HG LEU 39 9.420 -3.159 0.778 263 HD11 LEU 39 1HD1 LEU 39 9.635 -1.058 -1.407 264 HD12 LEU 39 2HD1 LEU 39 10.710 -1.367 -0.026 265 HD13 LEU 39 3HD1 LEU 39 9.175 -0.516 0.192 266 HD21 LEU 39 3HD2 LEU 39 7.396 -1.841 1.163 267 HD22 LEU 39 1HD2 LEU 39 6.938 -3.327 0.320 268 HD23 LEU 39 2HD2 LEU 39 7.046 -1.804 -0.583 269 H GLY 40 H GLY 40 12.746 -4.194 -0.675 270 HA2 GLY 40 1HA GLY 40 12.950 -7.038 -0.742 271 HA3 GLY 40 2HA GLY 40 13.968 -5.919 0.169 272 H SER 41 H SER 41 13.767 -7.977 1.523 273 HA SER 41 HA SER 41 11.448 -8.752 2.928 274 HB3 SER 41 2HB SER 41 13.179 -10.284 2.845 275 HG SER 41 HG SER 41 14.979 -8.628 2.608 276 H HIS 42 H HIS 42 10.204 -7.633 4.345 277 HA HIS 42 HA HIS 42 9.494 -6.157 5.836 278 HB3 HIS 42 2HB HIS 42 11.519 -5.612 7.635 279 HD1 HIS 42 1HD HIS 42 9.403 -5.315 9.216 280 HD2 HIS 42 2HD HIS 42 9.754 -9.080 7.349 281 HE1 HIS 42 1HE HIS 42 7.648 -6.835 10.292 282 H ASP 43 H ASP 43 11.250 -5.200 3.407 283 HA ASP 43 HA ASP 43 12.187 -2.680 4.340 284 HB3 ASP 43 2HB ASP 43 11.806 -2.961 1.404 285 H SER 44 H SER 44 11.666 -0.798 2.733 286 HA SER 44 HA SER 44 8.831 -0.429 2.323 287 HB3 SER 44 2HB SER 44 8.636 -0.237 4.635 288 HG SER 44 HG SER 44 11.081 0.460 4.626 289 H ILE 45 H ILE 45 8.176 1.739 1.654 290 HA ILE 45 HA ILE 45 10.238 3.586 0.757 291 HB ILE 45 HB ILE 45 10.062 1.997 -1.085 292 HG13 ILE 45 2HG1 ILE 45 10.357 4.412 -1.505 293 HG21 ILE 45 1HG2 ILE 45 8.023 1.550 -2.336 294 HG22 ILE 45 2HG2 ILE 45 7.782 1.091 -0.657 295 HG23 ILE 45 3HG2 ILE 45 7.091 2.611 -1.257 296 HD11 ILE 45 3HD1 ILE 45 8.880 3.075 -3.798 297 HD12 ILE 45 1HD1 ILE 45 10.050 4.398 -3.889 298 HD13 ILE 45 2HD1 ILE 45 10.586 2.786 -3.379 299 H ASP 46 H ASP 46 9.220 5.657 0.320 300 HA ASP 46 HA ASP 46 6.330 5.896 0.874 301 HB3 ASP 46 2HB ASP 46 8.328 7.991 1.814 302 H PHE 47 H PHE 47 5.338 7.110 -0.762 303 HA PHE 47 HA PHE 47 7.062 8.546 -2.631 304 HB3 PHE 47 2HB PHE 47 7.194 6.537 -3.730 305 HD1 PHE 47 1HD PHE 47 3.504 7.058 -3.831 306 HD2 PHE 47 2HD PHE 47 6.715 4.267 -3.346 307 HE1 PHE 47 1HE PHE 47 1.843 5.216 -3.603 308 HE2 PHE 47 2HE PHE 47 5.040 2.421 -2.957 309 HZ PHE 47 HZ PHE 47 2.628 2.933 -3.021 310 H SER 48 H SER 48 5.917 9.761 -4.164 311 HA SER 48 HA SER 48 3.800 11.334 -2.927 312 HB3 SER 48 2HB SER 48 5.695 11.406 -5.302 313 HG SER 48 HG SER 48 3.974 13.570 -4.845 314 H SER 49 H SER 49 1.874 11.891 -3.947 315 HA SER 49 HA SER 49 0.774 9.978 -5.893 316 HB3 SER 49 2HB SER 49 -1.012 9.542 -4.455 317 HG SER 49 HG SER 49 0.787 8.804 -3.360 318 H ASP 50 H ASP 50 0.164 11.128 -7.609 319 HA ASP 50 HA ASP 50 -0.458 13.833 -7.919 320 HB3 ASP 50 2HB ASP 50 -1.652 11.567 -9.499 321 H ALA 51 H ALA 51 -1.893 13.247 -5.547 322 HA ALA 51 HA ALA 51 -4.646 13.820 -6.270 323 HB1 ALA 51 1HB ALA 51 -4.624 11.348 -6.241 324 HB2 ALA 51 2HB ALA 51 -3.936 11.374 -4.594 325 HB3 ALA 51 3HB ALA 51 -5.569 12.007 -4.895 326 H GLY 52 H GLY 52 -5.140 15.462 -5.048 327 HA2 GLY 52 1HA GLY 52 -3.679 16.540 -2.885 328 HA3 GLY 52 2HA GLY 52 -5.355 16.900 -3.285 329 H SER 53 H SER 53 -6.578 14.425 -2.980 330 HA SER 53 HA SER 53 -6.082 13.514 -0.237 331 HB3 SER 53 2HB SER 53 -7.698 15.155 0.227 332 HG SER 53 HG SER 53 -9.424 14.163 -1.804 333 H VAL 54 H VAL 54 -7.146 11.400 0.128 334 HA VAL 54 HA VAL 54 -8.423 10.144 -2.120 335 HB VAL 54 HB VAL 54 -6.284 9.629 -2.782 336 HG11 VAL 54 1HG1 VAL 54 -4.518 8.563 -1.371 337 HG12 VAL 54 2HG1 VAL 54 -4.843 10.257 -1.053 338 HG13 VAL 54 3HG1 VAL 54 -5.482 9.007 0.061 339 HG21 VAL 54 3HG2 VAL 54 -7.750 7.618 -2.692 340 HG22 VAL 54 1HG2 VAL 54 -6.057 7.188 -2.495 341 HG23 VAL 54 2HG2 VAL 54 -7.067 7.217 -1.089 342 H TYR 55 H TYR 55 -9.516 8.282 -1.571 343 HA TYR 55 HA TYR 55 -9.874 7.606 1.295 344 HB3 TYR 55 2HB TYR 55 -11.679 8.938 1.003 345 HD1 TYR 55 2HD TYR 55 -12.185 6.750 -2.069 346 HD2 TYR 55 1HD TYR 55 -12.244 10.718 -0.377 347 HE1 TYR 55 2HE TYR 55 -13.116 7.643 -4.194 348 HE2 TYR 55 1HE TYR 55 -13.142 11.615 -2.483 349 HH TYR 55 HH TYR 55 -13.641 11.160 -4.696 350 H LYS 56 H LYS 56 -8.679 6.225 -1.432 351 HA LYS 56 HA LYS 56 -9.693 3.559 -0.713 352 HB3 LYS 56 2HB LYS 56 -11.387 4.214 -2.348 353 HG3 LYS 56 2HG LYS 56 -9.058 4.915 -4.211 354 HD3 LYS 56 2HD LYS 56 -11.006 5.675 -5.705 355 HE3 LYS 56 2HE LYS 56 -9.376 3.652 -5.969 356 HZ1 LYS 56 3HZ LYS 56 -11.813 2.073 -5.947 357 HZ2 LYS 56 1HZ LYS 56 -10.978 2.203 -4.532 358 HZ3 LYS 56 2HZ LYS 56 -10.235 1.590 -5.831 359 H MET 57 H MET 57 -8.367 1.857 -1.498 360 HA MET 57 HA MET 57 -5.922 2.660 -2.927 361 HB3 MET 57 2HB MET 57 -5.868 1.462 -0.115 362 HG3 MET 57 2HG MET 57 -3.884 1.674 -2.335 363 HE1 MET 57 3HE MET 57 -2.714 3.913 -2.383 364 HE2 MET 57 1HE MET 57 -3.828 4.528 -1.135 365 HE3 MET 57 2HE MET 57 -2.083 4.736 -0.940 366 H ASP 58 H ASP 58 -5.947 1.202 -4.529 367 HA ASP 58 HA ASP 58 -6.964 -1.558 -3.982 368 HB3 ASP 58 2HB ASP 58 -7.787 -1.766 -6.098 369 H VAL 59 H VAL 59 -4.978 -2.295 -3.186 370 HA VAL 59 HA VAL 59 -2.562 -1.941 -4.761 371 HB VAL 59 HB VAL 59 -2.849 -3.782 -2.370 372 HG11 VAL 59 1HG1 VAL 59 -0.501 -2.764 -2.020 373 HG12 VAL 59 2HG1 VAL 59 -0.771 -3.862 -3.370 374 HG13 VAL 59 3HG1 VAL 59 -0.654 -2.102 -3.660 375 HG21 VAL 59 3HG2 VAL 59 -2.637 -0.757 -2.203 376 HG22 VAL 59 1HG2 VAL 59 -3.930 -1.775 -1.528 377 HG23 VAL 59 2HG2 VAL 59 -2.311 -1.876 -0.865 378 H THR 60 H THR 60 -1.391 -3.640 -5.890 379 HA THR 60 HA THR 60 -2.438 -6.311 -6.010 380 HB THR 60 HB THR 60 -4.068 -5.718 -7.459 381 HG1 THR 60 1HG THR 60 -2.539 -7.024 -8.589 382 HG21 THR 60 3HG2 THR 60 -2.477 -3.402 -8.458 383 HG22 THR 60 1HG2 THR 60 -3.987 -3.405 -7.541 384 HG23 THR 60 2HG2 THR 60 -3.989 -3.970 -9.214 385 H GLY 61 H GLY 61 -0.613 -7.416 -5.944 386 HA2 GLY 61 1HA GLY 61 1.707 -6.662 -7.634 387 HA3 GLY 61 2HA GLY 61 1.947 -6.786 -5.895 388 H THR 62 H THR 62 3.501 -8.437 -6.589 389 HA THR 62 HA THR 62 2.316 -11.101 -6.601 390 HB THR 62 HB THR 62 4.549 -10.493 -8.566 391 HG1 THR 62 1HG THR 62 3.115 -10.098 -10.120 392 HG21 THR 62 3HG2 THR 62 4.030 -12.850 -7.879 393 HG22 THR 62 1HG2 THR 62 3.745 -12.585 -9.605 394 HG23 THR 62 2HG2 THR 62 2.374 -12.681 -8.476 395 H THR 63 H THR 63 3.590 -12.543 -5.382 396 HA THR 63 HA THR 63 5.649 -11.482 -3.679 397 HB THR 63 HB THR 63 5.514 -13.562 -2.580 398 HG1 THR 63 1HG THR 63 4.349 -15.274 -3.431 399 HG21 THR 63 3HG2 THR 63 2.685 -12.909 -3.524 400 HG22 THR 63 1HG2 THR 63 3.566 -12.090 -2.208 401 HG23 THR 63 2HG2 THR 63 3.149 -13.818 -2.098 402 H GLN 64 H GLN 64 7.593 -12.883 -3.236 403 HA GLN 64 HA GLN 64 9.372 -13.131 -5.348 404 HB3 GLN 64 2HB GLN 64 9.243 -14.763 -2.765 405 HG3 GLN 64 2HG GLN 64 11.124 -15.332 -4.437 406 HE21 GLN 64 1HE2 GLN 64 13.523 -13.792 -2.778 407 HE22 GLN 64 2HE2 GLN 64 13.880 -12.577 -3.986 408 H SER 65 H SER 65 7.043 -15.546 -4.007 409 HA SER 65 HA SER 65 7.871 -17.733 -5.686 410 HB3 SER 65 2HB SER 65 5.455 -18.501 -4.871 411 HG SER 65 HG SER 65 7.395 -19.245 -4.081 412 H GLY 66 H GLY 66 6.080 -14.907 -6.499 413 HA2 GLY 66 1HA GLY 66 5.184 -14.482 -8.652 414 HA3 GLY 66 2HA GLY 66 5.224 -16.189 -9.034 415 H GLU 67 H GLU 67 3.899 -15.584 -5.857 416 HA GLU 67 HA GLU 67 1.216 -16.198 -6.844 417 HB3 GLU 67 2HB GLU 67 0.582 -15.831 -4.436 418 HG3 GLU 67 2HG GLU 67 1.893 -18.065 -5.523 419 H LYS 68 H LYS 68 -0.376 -14.792 -7.038 420 HA LYS 68 HA LYS 68 0.320 -11.912 -7.094 421 HB3 LYS 68 2HB LYS 68 -2.324 -13.371 -7.580 422 HG3 LYS 68 2HG LYS 68 -1.234 -10.698 -8.492 423 HD3 LYS 68 2HD LYS 68 -3.869 -12.046 -9.187 424 HE3 LYS 68 2HE LYS 68 -2.638 -9.322 -9.773 425 HZ1 LYS 68 3HZ LYS 68 -4.983 -10.563 -11.045 426 HZ2 LYS 68 1HZ LYS 68 -3.559 -10.123 -11.777 427 HZ3 LYS 68 2HZ LYS 68 -4.559 -8.976 -11.202 428 H PHE 69 H PHE 69 -0.774 -10.417 -5.692 429 HA PHE 69 HA PHE 69 -2.484 -11.424 -3.528 430 HB3 PHE 69 2HB PHE 69 -0.214 -11.534 -2.561 431 HD1 PHE 69 2HD PHE 69 1.707 -10.854 -3.909 432 HD2 PHE 69 1HD PHE 69 -0.784 -7.976 -1.848 433 HE1 PHE 69 2HE PHE 69 3.489 -9.091 -4.153 434 HE2 PHE 69 1HE PHE 69 0.997 -6.253 -2.130 435 HZ PHE 69 HZ PHE 69 3.142 -6.793 -3.307 436 H THR 70 H THR 70 -3.768 -9.561 -2.597 437 HA THR 70 HA THR 70 -3.511 -7.018 -4.027 438 HB THR 70 HB THR 70 -5.908 -6.969 -4.564 439 HG1 THR 70 1HG THR 70 -5.953 -9.502 -3.490 440 HG21 THR 70 3HG2 THR 70 -4.508 -9.165 -6.097 441 HG22 THR 70 1HG2 THR 70 -4.312 -7.417 -6.343 442 HG23 THR 70 2HG2 THR 70 -5.889 -8.186 -6.630 443 H GLY 71 H GLY 71 -4.834 -5.335 -3.120 444 HA2 GLY 71 1HA GLY 71 -5.038 -5.684 -0.164 445 HA3 GLY 71 2HA GLY 71 -4.826 -4.162 -1.033 446 H HIS 72 H HIS 72 -6.713 -3.954 -2.700 447 HA HIS 72 HA HIS 72 -8.786 -3.037 -2.948 448 HB3 HIS 72 2HB HIS 72 -10.653 -4.644 -2.696 449 HD1 HIS 72 1HD HIS 72 -9.850 -3.957 -5.257 450 HD2 HIS 72 2HD HIS 72 -8.333 -7.453 -3.450 451 HE1 HIS 72 1HE HIS 72 -8.885 -5.445 -7.155 452 H PHE 73 H PHE 73 -8.541 -1.269 -1.375 453 HA PHE 73 HA PHE 73 -10.258 -1.679 1.028 454 HB3 PHE 73 2HB PHE 73 -8.836 -0.109 2.189 455 HD1 PHE 73 1HD PHE 73 -8.982 -2.352 3.356 456 HD2 PHE 73 2HD PHE 73 -6.062 -1.495 0.309 457 HE1 PHE 73 1HE PHE 73 -7.510 -4.189 4.237 458 HE2 PHE 73 2HE PHE 73 -4.626 -3.346 1.173 459 HZ PHE 73 HZ PHE 73 -5.378 -4.672 3.140 460 H LYS 74 H LYS 74 -11.634 -0.054 1.547 461 HA LYS 74 HA LYS 74 -11.790 2.314 -0.243 462 HB3 LYS 74 2HB LYS 74 -14.384 1.130 0.592 463 HG3 LYS 74 2HG LYS 74 -13.199 1.687 -2.163 464 HD3 LYS 74 2HD LYS 74 -16.050 1.587 -1.054 465 HE3 LYS 74 2HE LYS 74 -15.165 2.174 -3.906 466 HZ1 LYS 74 3HZ LYS 74 -17.480 1.295 -3.430 467 HZ2 LYS 74 1HZ LYS 74 -17.350 2.716 -4.248 468 HZ3 LYS 74 2HZ LYS 74 -17.738 2.724 -2.625 469 H GLY 75 H GLY 75 -13.191 3.929 0.497 470 HA2 GLY 75 1HA GLY 75 -13.479 5.649 1.917 471 HA3 GLY 75 2HA GLY 75 -14.449 4.490 2.865 472 H LEU 76 H LEU 76 -11.050 5.010 2.198 473 HA LEU 76 HA LEU 76 -9.997 4.449 4.817 474 HB3 LEU 76 2HB LEU 76 -8.021 5.767 3.746 475 HG LEU 76 HG LEU 76 -7.706 4.194 1.766 476 HD11 LEU 76 1HD1 LEU 76 -7.937 2.905 4.523 477 HD12 LEU 76 2HD1 LEU 76 -6.605 3.964 4.036 478 HD13 LEU 76 3HD1 LEU 76 -6.835 2.412 3.209 479 HD21 LEU 76 3HD2 LEU 76 -9.837 2.492 3.030 480 HD22 LEU 76 1HD2 LEU 76 -8.753 2.092 1.674 481 HD23 LEU 76 2HD2 LEU 76 -9.965 3.344 1.476 482 H VAL 77 H VAL 77 -9.223 5.928 6.346 483 HA VAL 77 HA VAL 77 -10.215 8.734 6.115 484 HB VAL 77 HB VAL 77 -9.831 7.105 8.609 485 HG11 VAL 77 1HG1 VAL 77 -9.680 9.341 9.237 486 HG12 VAL 77 2HG1 VAL 77 -11.047 9.828 8.219 487 HG13 VAL 77 3HG1 VAL 77 -11.309 8.850 9.668 488 HG21 VAL 77 3HG2 VAL 77 -12.433 7.626 7.118 489 HG22 VAL 77 1HG2 VAL 77 -11.683 6.043 7.392 490 HG23 VAL 77 2HG2 VAL 77 -12.337 6.951 8.757 491 H GLY 78 H GLY 78 -8.964 10.238 6.985 492 HA2 GLY 78 1HA GLY 78 -7.154 11.305 7.941 493 HA3 GLY 78 2HA GLY 78 -6.208 9.803 7.911 494 H LYS 79 H LYS 79 -5.146 12.342 7.188 495 HA LYS 79 HA LYS 79 -5.171 12.863 4.429 496 HB3 LYS 79 2HB LYS 79 -3.071 13.770 6.399 497 HG3 LYS 79 2HG LYS 79 -4.834 15.264 4.412 498 HD3 LYS 79 2HD LYS 79 -2.615 16.120 6.328 499 HE3 LYS 79 2HE LYS 79 -3.752 17.523 3.892 500 HZ1 LYS 79 3HZ LYS 79 -1.967 19.212 4.573 501 HZ2 LYS 79 1HZ LYS 79 -1.894 18.448 6.020 502 HZ3 LYS 79 2HZ LYS 79 -3.275 19.160 5.536 503 H ASP 80 H ASP 80 -4.086 10.072 5.233 504 HA ASP 80 HA ASP 80 -2.166 9.991 3.180 505 HB3 ASP 80 2HB ASP 80 -0.593 10.646 5.114 506 H THR 81 H THR 81 -1.305 7.663 2.986 507 HA THR 81 HA THR 81 -3.071 5.691 4.279 508 HB THR 81 HB THR 81 -2.347 5.368 1.351 509 HG1 THR 81 1HG THR 81 -3.441 7.340 1.366 510 HG21 THR 81 3HG2 THR 81 -3.304 3.489 2.608 511 HG22 THR 81 1HG2 THR 81 -4.496 4.090 1.424 512 HG23 THR 81 2HG2 THR 81 -4.648 4.530 3.145 513 H ARG 82 H ARG 82 -1.945 3.816 4.830 514 HA ARG 82 HA ARG 82 0.734 3.385 3.654 515 HB3 ARG 82 2HB ARG 82 1.550 2.482 5.800 516 HG3 ARG 82 2HG ARG 82 0.475 5.281 6.285 517 HD3 ARG 82 2HD ARG 82 2.895 3.785 7.346 518 HE ARG 82 HE ARG 82 3.739 5.953 7.244 519 HH11 ARG 82 1HH1 ARG 82 0.452 6.213 8.686 520 HH12 ARG 82 2HH1 ARG 82 0.877 7.679 9.514 521 HH21 ARG 82 1HH2 ARG 82 4.142 7.909 8.271 522 HH22 ARG 82 2HH2 ARG 82 2.868 8.694 9.173 523 H VAL 83 H VAL 83 1.334 1.098 3.784 524 HA VAL 83 HA VAL 83 -1.018 -0.721 3.570 525 HB VAL 83 HB VAL 83 1.337 -0.403 1.670 526 HG11 VAL 83 1HG1 VAL 83 0.450 -2.720 1.751 527 HG12 VAL 83 2HG1 VAL 83 -1.199 -2.110 1.495 528 HG13 VAL 83 3HG1 VAL 83 0.019 -1.953 0.217 529 HG21 VAL 83 3HG2 VAL 83 -0.398 0.385 0.013 530 HG22 VAL 83 1HG2 VAL 83 -1.530 0.542 1.368 531 HG23 VAL 83 2HG2 VAL 83 -0.065 1.525 1.317 532 H PHE 84 H PHE 84 -0.710 -2.351 5.101 533 HA PHE 84 HA PHE 84 2.116 -3.105 5.744 534 HB3 PHE 84 2HB PHE 84 1.139 -4.170 7.704 535 HD1 PHE 84 1HD PHE 84 2.321 -1.255 6.815 536 HD2 PHE 84 2HD PHE 84 -0.574 -2.688 9.637 537 HE1 PHE 84 1HE PHE 84 2.626 0.806 8.161 538 HE2 PHE 84 2HE PHE 84 -0.191 -0.716 11.040 539 HZ PHE 84 HZ PHE 84 1.369 1.071 10.315 540 H ILE 85 H ILE 85 2.751 -4.793 4.573 541 HA ILE 85 HA ILE 85 0.736 -6.688 3.454 542 HB ILE 85 HB ILE 85 3.755 -6.787 3.113 543 HG13 ILE 85 2HG1 ILE 85 2.990 -4.637 2.155 544 HG21 ILE 85 1HG2 ILE 85 2.153 -8.823 2.664 545 HG22 ILE 85 2HG2 ILE 85 1.590 -7.901 1.276 546 HG23 ILE 85 3HG2 ILE 85 3.320 -8.363 1.429 547 HD11 ILE 85 3HD1 ILE 85 3.329 -6.473 -0.224 548 HD12 ILE 85 1HD1 ILE 85 3.940 -4.822 0.019 549 HD13 ILE 85 2HD1 ILE 85 4.676 -6.170 0.885 550 H GLU 86 H GLU 86 0.392 -8.618 4.530 551 HA GLU 86 HA GLU 86 2.429 -9.724 6.286 552 HB3 GLU 86 2HB GLU 86 1.386 -8.435 7.945 553 HG3 GLU 86 2HG GLU 86 -1.316 -9.369 6.896 554 H LEU 87 H LEU 87 1.621 -11.940 7.020 555 HA LEU 87 HA LEU 87 0.008 -13.277 4.875 556 HB3 LEU 87 2HB LEU 87 0.806 -15.358 5.654 557 HG LEU 87 HG LEU 87 3.250 -13.544 5.906 558 HD11 LEU 87 1HD1 LEU 87 3.568 -15.776 6.929 559 HD12 LEU 87 2HD1 LEU 87 4.562 -15.540 5.483 560 HD13 LEU 87 3HD1 LEU 87 3.088 -16.537 5.396 561 HD21 LEU 87 3HD2 LEU 87 3.693 -14.271 3.571 562 HD22 LEU 87 1HD2 LEU 87 2.198 -13.316 3.703 563 HD23 LEU 87 2HD2 LEU 87 2.111 -15.088 3.538 564 H ASP 88 H ASP 88 -1.797 -14.661 5.747 565 HA ASP 88 HA ASP 88 -2.053 -14.833 8.555 566 HB3 ASP 88 2HB ASP 88 -4.542 -13.535 7.423 567 H GLU 89 H GLU 89 -4.399 -15.873 8.954 568 HA GLU 89 HA GLU 89 -5.998 -17.398 8.682 569 HB3 GLU 89 2HB GLU 89 -6.919 -17.923 6.527 570 HG3 GLU 89 2HG GLU 89 -7.369 -15.769 5.554 571 H ASN 90 H ASN 90 -3.484 -18.260 6.344 572 HA ASN 90 HA ASN 90 -2.720 -20.610 7.807 573 HB3 ASN 90 2HB ASN 90 -4.777 -21.470 6.694 574 HD21 ASN 90 1HD2 ASN 90 -4.622 -19.286 4.839 575 HD22 ASN 90 2HD2 ASN 90 -4.531 -19.936 3.222 576 H ALA 91 H ALA 91 -1.446 -18.305 7.174 577 HA ALA 91 HA ALA 91 0.500 -17.497 6.494 578 HB1 ALA 91 1HB ALA 91 2.298 -18.906 6.070 579 HB2 ALA 91 2HB ALA 91 1.261 -19.835 7.155 580 HB3 ALA 91 3HB ALA 91 1.291 -20.208 5.417 581 H ASP 92 H ASP 92 -1.765 -17.362 4.654 582 HA ASP 92 HA ASP 92 -0.500 -17.411 1.942 583 HB3 ASP 92 2HB ASP 92 -2.812 -16.883 1.155 584 H VAL 93 H VAL 93 -0.590 -15.340 0.802 585 HA VAL 93 HA VAL 93 -0.102 -13.210 2.641 586 HB VAL 93 HB VAL 93 -0.297 -12.898 -0.391 587 HG11 VAL 93 1HG1 VAL 93 1.319 -11.434 1.730 588 HG12 VAL 93 2HG1 VAL 93 1.377 -11.176 -0.046 589 HG13 VAL 93 3HG1 VAL 93 -0.095 -10.812 0.857 590 HG21 VAL 93 3HG2 VAL 93 1.205 -14.732 -0.193 591 HG22 VAL 93 1HG2 VAL 93 2.269 -13.335 -0.186 592 HG23 VAL 93 2HG2 VAL 93 1.874 -14.156 1.328 593 H GLN 94 H GLN 94 -1.461 -11.881 3.563 594 HA GLN 94 HA GLN 94 -3.955 -11.065 2.158 595 HB3 GLN 94 2HB GLN 94 -4.963 -10.523 4.248 596 HG3 GLN 94 2HG GLN 94 -5.309 -12.569 5.347 597 HE21 GLN 94 1HE2 GLN 94 -3.556 -14.619 3.371 598 HE22 GLN 94 2HE2 GLN 94 -4.643 -14.744 2.001 599 H VAL 95 H VAL 95 -4.375 -8.667 3.539 600 HA VAL 95 HA VAL 95 -1.923 -7.157 3.554 601 HB VAL 95 HB VAL 95 -4.205 -6.220 1.735 602 HG11 VAL 95 1HG1 VAL 95 -3.019 -4.349 2.813 603 HG12 VAL 95 2HG1 VAL 95 -1.458 -5.032 2.341 604 HG13 VAL 95 3HG1 VAL 95 -2.588 -4.427 1.105 605 HG21 VAL 95 3HG2 VAL 95 -2.678 -6.488 -0.151 606 HG22 VAL 95 1HG2 VAL 95 -1.431 -7.206 0.926 607 HG23 VAL 95 2HG2 VAL 95 -2.967 -8.023 0.615 608 H PHE 96 H PHE 96 -2.119 -5.526 5.029 609 HA PHE 96 HA PHE 96 -4.733 -5.090 6.381 610 HB3 PHE 96 2HB PHE 96 -1.925 -5.169 7.598 611 HD1 PHE 96 1HD PHE 96 -2.670 -3.286 9.184 612 HD2 PHE 96 2HD PHE 96 -4.707 -7.063 8.996 613 HE1 PHE 96 1HE PHE 96 -3.920 -2.702 11.243 614 HE2 PHE 96 2HE PHE 96 -5.907 -6.523 11.097 615 HZ PHE 96 HZ PHE 96 -5.564 -4.314 12.200 616 H ILE 97 H ILE 97 -4.668 -2.973 7.546 617 HA ILE 97 HA ILE 97 -2.633 -1.094 6.643 618 HB ILE 97 HB ILE 97 -4.612 0.550 6.135 619 HG13 ILE 97 2HG1 ILE 97 -6.438 -1.099 6.771 620 HG21 ILE 97 1HG2 ILE 97 -4.257 0.319 3.885 621 HG22 ILE 97 2HG2 ILE 97 -2.855 -0.535 4.553 622 HG23 ILE 97 3HG2 ILE 97 -4.206 -1.484 3.951 623 HD11 ILE 97 3HD1 ILE 97 -6.844 0.831 5.208 624 HD12 ILE 97 1HD1 ILE 97 -6.460 -0.255 3.845 625 HD13 ILE 97 2HD1 ILE 97 -7.876 -0.584 4.860 626 HA PRO 98 HA PRO 98 -3.668 0.526 10.650 627 HB3 PRO 98 2HB PRO 98 -1.471 1.288 10.702 628 HG3 PRO 98 2HG PRO 98 -0.397 2.182 8.796 629 HD3 PRO 98 2HD PRO 98 -1.122 0.099 7.999 630 H GLN 99 H GLN 99 -5.631 1.347 10.998 631 HA GLN 99 HA GLN 99 -6.605 3.775 9.678 632 HB3 GLN 99 2HB GLN 99 -8.936 2.533 9.679 633 HG3 GLN 99 2HG GLN 99 -8.665 1.632 7.448 634 HE21 GLN 99 1HE2 GLN 99 -5.835 3.605 7.094 635 HE22 GLN 99 2HE2 GLN 99 -6.671 5.107 6.677 636 H GLY 100 H GLY 100 -8.972 4.013 11.153 637 HA2 GLY 100 1HA GLY 100 -8.458 3.326 13.950 638 HA3 GLY 100 2HA GLY 100 -8.375 5.055 13.565 639 H GLU 101 H GLU 101 -10.210 5.985 12.415 640 HA GLU 101 HA GLU 101 -12.604 5.376 13.776 641 HB3 GLU 101 2HB GLU 101 -13.418 7.437 12.761 642 HG3 GLU 101 2HG GLU 101 -10.433 7.851 13.204 643 H ILE 102 H ILE 102 -11.926 3.285 11.774 644 HA ILE 102 HA ILE 102 -13.782 3.408 9.558 645 HB ILE 102 HB ILE 102 -11.912 2.218 9.011 646 HG13 ILE 102 2HG1 ILE 102 -14.154 1.164 8.505 647 HG21 ILE 102 1HG2 ILE 102 -10.929 0.310 10.275 648 HG22 ILE 102 2HG2 ILE 102 -10.832 1.846 11.141 649 HG23 ILE 102 3HG2 ILE 102 -12.071 0.642 11.595 650 HD11 ILE 102 3HD1 ILE 102 -11.861 -0.837 8.582 651 HD12 ILE 102 1HD1 ILE 102 -13.303 -0.892 7.558 652 HD13 ILE 102 2HD1 ILE 102 -12.117 0.404 7.332 653 H ASP 103 H ASP 103 -15.563 3.858 10.432 654 HA ASP 103 HA ASP 103 -17.311 1.861 11.756 655 HB3 ASP 103 2HB ASP 103 -18.047 4.127 9.845 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -2.510 24.391 -4.106 2 HA2 GLY 1 1HA GLY 1 -0.602 25.446 -3.079 3 HA3 GLY 1 2HA GLY 1 -0.387 25.412 -4.846 4 H ALA 2 H ALA 2 -0.022 27.324 -2.240 5 HA ALA 2 HA ALA 2 -0.757 29.910 -3.516 6 HB1 ALA 2 1HB ALA 2 -2.274 29.094 -1.686 7 HB2 ALA 2 2HB ALA 2 -0.870 29.027 -0.595 8 HB3 ALA 2 3HB ALA 2 -1.419 30.581 -1.247 9 H GLN 3 H GLN 3 1.910 28.719 -3.708 10 HA GLN 3 HA GLN 3 4.100 29.226 -3.539 11 HB3 GLN 3 2HB GLN 3 5.015 30.896 -1.859 12 HG3 GLN 3 2HG GLN 3 3.803 32.935 -3.148 13 HE21 GLN 3 1HE2 GLN 3 5.277 30.713 -5.534 14 HE22 GLN 3 2HE2 GLN 3 6.874 31.357 -5.353 15 H ASP 4 H ASP 4 1.952 28.148 -1.062 16 HA ASP 4 HA ASP 4 4.064 26.491 0.046 17 HB3 ASP 4 2HB ASP 4 2.328 28.294 1.788 18 H GLY 5 H GLY 5 3.080 24.751 -0.828 19 HA2 GLY 5 1HA GLY 5 0.192 24.267 -0.388 20 HA3 GLY 5 2HA GLY 5 0.819 24.515 -2.037 21 H LYS 6 H LYS 6 1.144 22.552 0.934 22 HA LYS 6 HA LYS 6 2.203 20.295 -0.685 23 HB3 LYS 6 2HB LYS 6 3.912 19.948 1.051 24 HG3 LYS 6 2HG LYS 6 4.287 22.891 0.534 25 HD3 LYS 6 2HD LYS 6 6.038 21.424 1.587 26 HE3 LYS 6 2HE LYS 6 5.684 19.343 0.282 27 HZ1 LYS 6 3HZ LYS 6 5.361 20.255 -1.920 28 HZ2 LYS 6 1HZ LYS 6 6.645 19.230 -1.913 29 HZ3 LYS 6 2HZ LYS 6 6.913 20.843 -1.945 30 H GLU 7 H GLU 7 -0.394 20.809 0.435 31 HA GLU 7 HA GLU 7 -0.583 18.873 2.693 32 HB3 GLU 7 2HB GLU 7 -2.912 19.577 2.870 33 HG3 GLU 7 2HG GLU 7 -1.213 22.049 2.403 34 H THR 8 H THR 8 0.388 17.536 0.914 35 HA THR 8 HA THR 8 -1.549 15.985 -0.711 36 HB THR 8 HB THR 8 0.694 14.647 -1.089 37 HG1 THR 8 1HG THR 8 1.949 15.609 0.513 38 HG21 THR 8 3HG2 THR 8 -0.456 16.151 -2.742 39 HG22 THR 8 1HG2 THR 8 1.299 16.092 -2.904 40 HG23 THR 8 2HG2 THR 8 0.527 17.498 -2.133 41 H THR 9 H THR 9 -1.188 13.575 -0.527 42 HA THR 9 HA THR 9 -1.165 12.716 2.307 43 HB THR 9 HB THR 9 -1.940 10.505 1.022 44 HG1 THR 9 1HG THR 9 -2.803 12.632 -0.700 45 HG21 THR 9 3HG2 THR 9 -3.558 12.926 1.839 46 HG22 THR 9 1HG2 THR 9 -3.129 11.448 2.755 47 HG23 THR 9 2HG2 THR 9 -4.301 11.364 1.442 48 H THR 10 H THR 10 0.024 10.584 2.643 49 HA THR 10 HA THR 10 2.191 10.155 0.766 50 HB THR 10 HB THR 10 2.789 10.390 3.730 51 HG1 THR 10 1HG THR 10 2.242 12.424 3.176 52 HG21 THR 10 3HG2 THR 10 4.701 10.526 1.337 53 HG22 THR 10 1HG2 THR 10 4.420 9.057 2.277 54 HG23 THR 10 2HG2 THR 10 5.121 10.448 3.055 55 H ILE 11 H ILE 11 2.660 7.953 0.661 56 HA ILE 11 HA ILE 11 1.069 6.175 2.440 57 HB ILE 11 HB ILE 11 1.719 5.884 -0.489 58 HG13 ILE 11 2HG1 ILE 11 -0.218 7.571 0.260 59 HG21 ILE 11 1HG2 ILE 11 1.611 3.707 0.596 60 HG22 ILE 11 2HG2 ILE 11 0.066 4.105 1.369 61 HG23 ILE 11 3HG2 ILE 11 0.177 3.894 -0.393 62 HD11 ILE 11 3HD1 ILE 11 0.242 6.941 -2.050 63 HD12 ILE 11 1HD1 ILE 11 -0.612 5.392 -1.837 64 HD13 ILE 11 2HD1 ILE 11 -1.495 6.917 -1.728 65 H ARG 12 H ARG 12 2.161 4.281 3.122 66 HA ARG 12 HA ARG 12 5.049 4.082 2.445 67 HB3 ARG 12 2HB ARG 12 3.934 3.960 5.269 68 HG3 ARG 12 2HG ARG 12 6.427 5.237 5.239 69 HD3 ARG 12 2HD ARG 12 6.325 2.297 5.821 70 HE ARG 12 HE ARG 12 8.200 3.044 6.896 71 HH11 ARG 12 1HH1 ARG 12 5.851 5.743 7.309 72 HH12 ARG 12 2HH1 ARG 12 6.516 6.159 8.863 73 HH21 ARG 12 1HH2 ARG 12 9.137 3.836 8.718 74 HH22 ARG 12 2HH2 ARG 12 8.518 5.172 9.616 75 H LEU 13 H LEU 13 5.602 2.103 1.961 76 HA LEU 13 HA LEU 13 3.551 -0.080 2.328 77 HB3 LEU 13 2HB LEU 13 5.149 -0.914 0.261 78 HG LEU 13 HG LEU 13 3.604 0.200 -1.362 79 HD11 LEU 13 1HD1 LEU 13 2.801 -1.714 0.827 80 HD12 LEU 13 2HD1 LEU 13 3.018 -1.962 -0.915 81 HD13 LEU 13 3HD1 LEU 13 1.573 -1.126 -0.316 82 HD21 LEU 13 3HD2 LEU 13 3.054 2.146 0.050 83 HD22 LEU 13 1HD2 LEU 13 2.093 1.115 1.117 84 HD23 LEU 13 2HD2 LEU 13 1.619 1.301 -0.579 85 H ILE 14 H ILE 14 4.151 -1.387 4.013 86 HA ILE 14 HA ILE 14 7.017 -2.073 4.328 87 HB ILE 14 HB ILE 14 4.736 -2.517 6.275 88 HG13 ILE 14 2HG1 ILE 14 6.673 -0.152 6.127 89 HG21 ILE 14 1HG2 ILE 14 7.736 -2.346 6.805 90 HG22 ILE 14 2HG2 ILE 14 6.434 -2.931 7.896 91 HG23 ILE 14 3HG2 ILE 14 6.910 -3.859 6.487 92 HD11 ILE 14 3HD1 ILE 14 4.537 0.536 5.193 93 HD12 ILE 14 1HD1 ILE 14 3.637 -0.322 6.459 94 HD13 ILE 14 2HD1 ILE 14 4.564 1.126 6.849 95 H ASN 15 H ASN 15 7.717 -4.087 3.996 96 HA ASN 15 HA ASN 15 5.777 -6.059 2.934 97 HB3 ASN 15 2HB ASN 15 8.821 -6.073 2.749 98 HD21 ASN 15 1HD2 ASN 15 9.497 -7.929 1.786 99 HD22 ASN 15 2HD2 ASN 15 8.513 -9.086 0.930 100 H GLN 16 H GLN 16 5.047 -6.680 5.222 101 HA GLN 16 HA GLN 16 7.164 -7.726 6.984 102 HB3 GLN 16 2HB GLN 16 5.505 -7.640 8.735 103 HG3 GLN 16 2HG GLN 16 5.141 -5.159 7.006 104 HE21 GLN 16 1HE2 GLN 16 3.047 -5.839 8.615 105 HE22 GLN 16 2HE2 GLN 16 3.069 -4.740 9.969 106 H THR 17 H THR 17 7.221 -9.373 5.014 107 HA THR 17 HA THR 17 5.552 -11.759 5.653 108 HB THR 17 HB THR 17 5.584 -11.855 2.984 109 HG1 THR 17 1HG THR 17 6.780 -9.942 2.625 110 HG21 THR 17 3HG2 THR 17 3.796 -9.905 4.453 111 HG22 THR 17 1HG2 THR 17 3.589 -11.663 4.485 112 HG23 THR 17 2HG2 THR 17 3.417 -10.790 2.963 113 H TYR 18 H TYR 18 6.306 -13.738 4.530 114 HA TYR 18 HA TYR 18 9.075 -14.212 5.045 115 HB3 TYR 18 2HB TYR 18 7.078 -15.738 5.484 116 HD1 TYR 18 1HD TYR 18 5.917 -14.798 2.762 117 HD2 TYR 18 2HD TYR 18 7.945 -18.421 3.863 118 HE1 TYR 18 1HE TYR 18 4.350 -16.102 1.375 119 HE2 TYR 18 2HE TYR 18 6.590 -19.683 2.220 120 HH TYR 18 HH TYR 18 3.847 -18.220 0.449 121 H PHE 19 H PHE 19 8.155 -12.574 2.462 122 HA PHE 19 HA PHE 19 9.829 -14.067 0.612 123 HB3 PHE 19 2HB PHE 19 7.763 -14.793 -0.122 124 HD1 PHE 19 1HD PHE 19 7.376 -10.961 -0.394 125 HD2 PHE 19 2HD PHE 19 5.541 -14.823 0.124 126 HE1 PHE 19 1HE PHE 19 5.242 -9.875 0.091 127 HE2 PHE 19 2HE PHE 19 3.438 -13.716 0.772 128 HZ PHE 19 HZ PHE 19 3.240 -11.257 0.674 129 H ASN 20 H ASN 20 10.136 -12.636 -1.410 130 HA ASN 20 HA ASN 20 10.516 -9.729 -0.825 131 HB3 ASN 20 2HB ASN 20 11.750 -11.713 -2.766 132 HD21 ASN 20 1HD2 ASN 20 12.175 -10.933 -4.834 133 HD22 ASN 20 2HD2 ASN 20 12.502 -9.246 -5.155 134 H VAL 21 H VAL 21 9.735 -8.282 -2.558 135 HA VAL 21 HA VAL 21 7.924 -9.436 -4.612 136 HB VAL 21 HB VAL 21 6.355 -7.528 -4.152 137 HG11 VAL 21 1HG1 VAL 21 5.483 -9.598 -3.624 138 HG12 VAL 21 2HG1 VAL 21 6.534 -9.827 -2.213 139 HG13 VAL 21 3HG1 VAL 21 5.209 -8.660 -2.159 140 HG21 VAL 21 3HG2 VAL 21 7.886 -6.299 -2.558 141 HG22 VAL 21 1HG2 VAL 21 6.265 -6.562 -1.885 142 HG23 VAL 21 2HG2 VAL 21 7.629 -7.565 -1.365 143 H LYS 22 H LYS 22 7.863 -8.174 -6.480 144 HA LYS 22 HA LYS 22 9.893 -5.961 -6.755 145 HB3 LYS 22 2HB LYS 22 11.007 -8.076 -7.031 146 HG3 LYS 22 2HG LYS 22 10.002 -9.272 -9.315 147 HD3 LYS 22 2HD LYS 22 9.358 -9.932 -6.389 148 HE3 LYS 22 2HE LYS 22 7.762 -10.906 -8.009 149 HZ1 LYS 22 3HZ LYS 22 10.140 -12.408 -8.977 150 HZ2 LYS 22 1HZ LYS 22 9.423 -11.219 -9.850 151 HZ3 LYS 22 2HZ LYS 22 8.589 -12.591 -9.484 152 H ASN 23 H ASN 23 6.972 -5.767 -7.051 153 HA ASN 23 HA ASN 23 6.702 -4.397 -9.405 154 HB3 ASN 23 2HB ASN 23 6.746 -6.444 -10.749 155 HD21 ASN 23 1HD2 ASN 23 5.998 -7.541 -7.930 156 HD22 ASN 23 2HD2 ASN 23 5.359 -9.097 -8.429 157 H ILE 24 H ILE 24 5.999 -3.857 -6.791 158 HA ILE 24 HA ILE 24 3.140 -4.396 -6.524 159 HB ILE 24 HB ILE 24 4.724 -2.505 -4.759 160 HG13 ILE 24 2HG1 ILE 24 4.699 -5.541 -4.703 161 HG21 ILE 24 1HG2 ILE 24 2.207 -4.173 -4.328 162 HG22 ILE 24 2HG2 ILE 24 2.962 -3.080 -3.148 163 HG23 ILE 24 3HG2 ILE 24 2.277 -2.422 -4.628 164 HD11 ILE 24 3HD1 ILE 24 6.760 -4.477 -3.114 165 HD12 ILE 24 1HD1 ILE 24 6.949 -5.112 -4.767 166 HD13 ILE 24 2HD1 ILE 24 6.708 -3.374 -4.462 167 H LYS 25 H LYS 25 1.717 -3.227 -7.526 168 HA LYS 25 HA LYS 25 2.023 -0.430 -8.404 169 HB3 LYS 25 2HB LYS 25 -0.560 -1.893 -8.606 170 HG3 LYS 25 2HG LYS 25 -0.468 -1.453 -11.018 171 HD3 LYS 25 2HD LYS 25 -0.292 1.002 -11.106 172 HE3 LYS 25 2HE LYS 25 -1.792 1.512 -9.003 173 HZ1 LYS 25 3HZ LYS 25 -2.706 1.200 -11.207 174 HZ2 LYS 25 1HZ LYS 25 -3.672 0.611 -10.056 175 HZ3 LYS 25 2HZ LYS 25 -2.821 -0.451 -10.955 176 H VAL 26 H VAL 26 0.957 1.231 -7.255 177 HA VAL 26 HA VAL 26 -0.804 0.474 -4.944 178 HB VAL 26 HB VAL 26 1.187 2.771 -5.030 179 HG11 VAL 26 1HG1 VAL 26 -0.025 1.472 -2.583 180 HG12 VAL 26 2HG1 VAL 26 0.615 3.126 -2.814 181 HG13 VAL 26 3HG1 VAL 26 -0.917 2.711 -3.498 182 HG21 VAL 26 3HG2 VAL 26 1.670 -0.017 -3.989 183 HG22 VAL 26 1HG2 VAL 26 2.614 0.880 -5.180 184 HG23 VAL 26 2HG2 VAL 26 2.621 1.377 -3.491 185 H THR 27 H THR 27 -2.932 1.449 -5.479 186 HA THR 27 HA THR 27 -2.931 4.055 -6.891 187 HB THR 27 HB THR 27 -5.344 2.294 -6.791 188 HG1 THR 27 1HG THR 27 -4.720 0.793 -7.901 189 HG21 THR 27 3HG2 THR 27 -5.383 4.469 -7.975 190 HG22 THR 27 1HG2 THR 27 -5.720 3.090 -9.054 191 HG23 THR 27 2HG2 THR 27 -4.143 3.879 -9.099 192 H TRP 28 H TRP 28 -4.294 5.689 -5.951 193 HA TRP 28 HA TRP 28 -5.802 5.055 -3.436 194 HB3 TRP 28 2HB TRP 28 -3.534 5.598 -2.737 195 HD1 TRP 28 HD TRP 28 -4.289 9.237 -3.384 196 HE1 TRP 28 1HE TRP 28 -2.348 10.300 -4.716 197 HE3 TRP 28 3HE TRP 28 -1.643 5.001 -4.392 198 HZ2 TRP 28 2HZ TRP 28 0.220 9.408 -5.763 199 HZ3 TRP 28 3HZ TRP 28 0.620 5.125 -5.369 200 HH2 TRP 28 HH TRP 28 1.586 7.290 -5.992 201 H ASN 29 H ASN 29 -6.591 5.851 -6.177 202 HA ASN 29 HA ASN 29 -8.598 7.676 -5.711 203 HB3 ASN 29 2HB ASN 29 -7.020 9.231 -7.601 204 HD21 ASN 29 1HD2 ASN 29 -7.188 9.646 -4.038 205 HD22 ASN 29 2HD2 ASN 29 -8.238 11.066 -4.167 206 H ASP 30 H ASP 30 -9.149 8.580 -8.326 207 HA ASP 30 HA ASP 30 -9.600 5.954 -9.454 208 HB3 ASP 30 2HB ASP 30 -10.465 8.486 -10.829 209 H GLY 31 H GLY 31 -7.143 8.280 -9.915 210 HA2 GLY 31 1HA GLY 31 -6.019 6.731 -12.148 211 HA3 GLY 31 2HA GLY 31 -6.453 8.408 -12.489 212 H LYS 32 H LYS 32 -5.222 7.520 -9.271 213 HA LYS 32 HA LYS 32 -2.527 8.538 -10.014 214 HB3 LYS 32 2HB LYS 32 -2.356 8.995 -7.447 215 HG3 LYS 32 2HG LYS 32 -3.049 11.279 -7.527 216 HD3 LYS 32 2HD LYS 32 -1.943 12.151 -9.567 217 HE3 LYS 32 2HE LYS 32 -0.508 9.772 -8.294 218 HZ1 LYS 32 3HZ LYS 32 1.477 10.752 -9.345 219 HZ2 LYS 32 1HZ LYS 32 0.508 11.676 -10.316 220 HZ3 LYS 32 2HZ LYS 32 0.454 10.051 -10.418 221 H GLU 33 H GLU 33 -1.194 6.940 -10.040 222 HA GLU 33 HA GLU 33 -1.085 5.264 -7.689 223 HB3 GLU 33 2HB GLU 33 -2.057 3.666 -9.226 224 HG3 GLU 33 2HG GLU 33 -0.223 3.216 -11.260 225 H GLN 34 H GLN 34 1.086 4.087 -7.757 226 HA GLN 34 HA GLN 34 3.006 4.987 -9.631 227 HB3 GLN 34 2HB GLN 34 3.507 6.655 -7.968 228 HG3 GLN 34 2HG GLN 34 2.881 5.298 -5.870 229 HE21 GLN 34 1HE2 GLN 34 3.243 3.161 -5.245 230 HE22 GLN 34 2HE2 GLN 34 4.855 2.500 -5.011 231 H THR 35 H THR 35 5.161 3.536 -9.047 232 HA THR 35 HA THR 35 4.250 0.884 -8.134 233 HB THR 35 HB THR 35 5.628 -0.104 -9.980 234 HG1 THR 35 1HG THR 35 6.016 2.505 -10.538 235 HG21 THR 35 3HG2 THR 35 3.283 -0.298 -10.134 236 HG22 THR 35 1HG2 THR 35 3.891 0.111 -11.734 237 HG23 THR 35 2HG2 THR 35 3.092 1.361 -10.750 238 H VAL 36 H VAL 36 5.893 -0.312 -7.230 239 HA VAL 36 HA VAL 36 8.126 1.279 -6.119 240 HB VAL 36 HB VAL 36 6.783 -1.388 -5.511 241 HG11 VAL 36 1HG1 VAL 36 9.137 -1.419 -4.678 242 HG12 VAL 36 2HG1 VAL 36 8.813 0.052 -3.747 243 HG13 VAL 36 3HG1 VAL 36 7.966 -1.493 -3.401 244 HG21 VAL 36 3HG2 VAL 36 5.315 0.575 -5.092 245 HG22 VAL 36 1HG2 VAL 36 5.692 -0.307 -3.651 246 HG23 VAL 36 2HG2 VAL 36 6.536 1.242 -3.991 247 H ASN 37 H ASN 37 10.340 0.392 -6.238 248 HA ASN 37 HA ASN 37 11.000 -1.233 -8.527 249 HB3 ASN 37 2HB ASN 37 12.649 -0.447 -6.073 250 HD21 ASN 37 1HD2 ASN 37 14.479 -1.803 -5.902 251 HD22 ASN 37 2HD2 ASN 37 15.206 -2.626 -7.274 252 H THR 38 H THR 38 12.028 -2.160 -5.188 253 HA THR 38 HA THR 38 10.632 -4.691 -5.325 254 HB THR 38 HB THR 38 13.666 -4.475 -5.358 255 HG1 THR 38 1HG THR 38 13.272 -4.491 -7.423 256 HG21 THR 38 3HG2 THR 38 11.916 -6.947 -5.284 257 HG22 THR 38 1HG2 THR 38 13.018 -6.386 -3.989 258 HG23 THR 38 2HG2 THR 38 13.682 -6.942 -5.529 259 H LEU 39 H LEU 39 10.794 -5.809 -3.226 260 HA LEU 39 HA LEU 39 11.457 -4.067 -0.935 261 HB3 LEU 39 2HB LEU 39 8.875 -5.421 -0.622 262 HG LEU 39 HG LEU 39 9.228 -3.633 0.868 263 HD11 LEU 39 1HD1 LEU 39 9.467 -1.261 0.194 264 HD12 LEU 39 2HD1 LEU 39 9.601 -1.751 -1.516 265 HD13 LEU 39 3HD1 LEU 39 10.854 -2.174 -0.345 266 HD21 LEU 39 3HD2 LEU 39 7.232 -2.338 0.457 267 HD22 LEU 39 1HD2 LEU 39 6.979 -4.028 -0.012 268 HD23 LEU 39 2HD2 LEU 39 7.255 -2.811 -1.262 269 H GLY 40 H GLY 40 12.793 -5.208 0.083 270 HA2 GLY 40 1HA GLY 40 13.101 -8.039 0.060 271 HA3 GLY 40 2HA GLY 40 13.923 -6.853 1.105 272 H SER 41 H SER 41 13.419 -9.083 2.473 273 HA SER 41 HA SER 41 10.790 -9.290 3.599 274 HB3 SER 41 2HB SER 41 11.875 -10.716 5.225 275 HG SER 41 HG SER 41 12.447 -12.190 3.812 276 H HIS 42 H HIS 42 9.830 -7.886 5.019 277 HA HIS 42 HA HIS 42 9.442 -6.205 6.366 278 HB3 HIS 42 2HB HIS 42 11.352 -5.742 8.190 279 HD1 HIS 42 1HD HIS 42 9.309 -5.606 9.789 280 HD2 HIS 42 2HD HIS 42 9.886 -9.335 7.887 281 HE1 HIS 42 1HE HIS 42 7.642 -7.212 10.837 282 H ASP 43 H ASP 43 10.992 -5.740 3.774 283 HA ASP 43 HA ASP 43 12.446 -3.298 4.200 284 HB3 ASP 43 2HB ASP 43 11.120 -3.375 1.620 285 H SER 44 H SER 44 11.647 -1.400 3.047 286 HA SER 44 HA SER 44 8.936 -0.549 3.390 287 HB3 SER 44 2HB SER 44 9.166 -0.829 5.713 288 HG SER 44 HG SER 44 10.944 -0.650 6.697 289 H ILE 45 H ILE 45 8.591 1.848 3.154 290 HA ILE 45 HA ILE 45 10.448 3.588 2.006 291 HB ILE 45 HB ILE 45 10.835 1.799 0.364 292 HG13 ILE 45 2HG1 ILE 45 11.124 4.013 -0.366 293 HG21 ILE 45 1HG2 ILE 45 8.507 0.755 0.575 294 HG22 ILE 45 2HG2 ILE 45 7.946 2.039 -0.514 295 HG23 ILE 45 3HG2 ILE 45 9.192 0.884 -1.056 296 HD11 ILE 45 3HD1 ILE 45 11.065 2.182 -2.126 297 HD12 ILE 45 1HD1 ILE 45 9.453 2.787 -2.568 298 HD13 ILE 45 2HD1 ILE 45 10.863 3.851 -2.703 299 H ASP 46 H ASP 46 9.369 5.392 1.385 300 HA ASP 46 HA ASP 46 6.420 5.540 1.823 301 HB3 ASP 46 2HB ASP 46 8.629 7.431 2.680 302 H PHE 47 H PHE 47 5.381 6.755 0.268 303 HA PHE 47 HA PHE 47 7.022 8.474 -1.528 304 HB3 PHE 47 2HB PHE 47 6.912 6.671 -2.970 305 HD1 PHE 47 1HD PHE 47 3.261 7.034 -3.177 306 HD2 PHE 47 2HD PHE 47 6.545 4.514 -1.976 307 HE1 PHE 47 1HE PHE 47 1.699 5.107 -2.937 308 HE2 PHE 47 2HE PHE 47 4.984 2.612 -1.656 309 HZ PHE 47 HZ PHE 47 2.572 2.936 -2.059 310 H SER 48 H SER 48 6.177 10.321 -2.040 311 HA SER 48 HA SER 48 3.854 11.354 -0.722 312 HB3 SER 48 2HB SER 48 5.644 12.333 -3.004 313 HG SER 48 HG SER 48 3.849 13.532 -3.219 314 H SER 49 H SER 49 1.888 11.990 -1.564 315 HA SER 49 HA SER 49 0.966 10.462 -3.923 316 HB3 SER 49 2HB SER 49 -0.628 9.417 -2.599 317 HG SER 49 HG SER 49 1.635 8.997 -1.797 318 H ASP 50 H ASP 50 0.556 12.075 -5.287 319 HA ASP 50 HA ASP 50 0.358 14.721 -4.821 320 HB3 ASP 50 2HB ASP 50 -1.005 13.304 -7.127 321 H ALA 51 H ALA 51 -2.225 12.690 -4.146 322 HA ALA 51 HA ALA 51 -4.451 14.491 -4.740 323 HB1 ALA 51 1HB ALA 51 -4.658 12.008 -4.941 324 HB2 ALA 51 2HB ALA 51 -4.360 11.857 -3.186 325 HB3 ALA 51 3HB ALA 51 -5.799 12.703 -3.777 326 H GLY 52 H GLY 52 -5.559 15.612 -3.113 327 HA2 GLY 52 1HA GLY 52 -3.920 16.456 -0.841 328 HA3 GLY 52 2HA GLY 52 -5.494 17.109 -1.329 329 H SER 53 H SER 53 -6.458 14.126 -1.421 330 HA SER 53 HA SER 53 -6.221 13.264 1.333 331 HB3 SER 53 2HB SER 53 -8.591 13.076 1.740 332 HG SER 53 HG SER 53 -7.698 15.301 1.918 333 H VAL 54 H VAL 54 -6.965 10.941 1.458 334 HA VAL 54 HA VAL 54 -7.984 9.833 -1.025 335 HB VAL 54 HB VAL 54 -5.889 9.025 -1.285 336 HG11 VAL 54 1HG1 VAL 54 -5.626 8.387 1.668 337 HG12 VAL 54 2HG1 VAL 54 -4.535 7.781 0.384 338 HG13 VAL 54 3HG1 VAL 54 -4.662 9.485 0.620 339 HG21 VAL 54 3HG2 VAL 54 -6.048 6.548 -0.847 340 HG22 VAL 54 1HG2 VAL 54 -7.325 6.837 0.316 341 HG23 VAL 54 2HG2 VAL 54 -7.575 7.231 -1.405 342 H TYR 55 H TYR 55 -9.580 8.512 -0.823 343 HA TYR 55 HA TYR 55 -10.644 7.779 1.846 344 HB3 TYR 55 2HB TYR 55 -12.004 9.460 1.144 345 HD1 TYR 55 1HD TYR 55 -12.439 7.014 -1.668 346 HD2 TYR 55 2HD TYR 55 -12.054 11.125 -0.488 347 HE1 TYR 55 1HE TYR 55 -12.529 7.695 -4.069 348 HE2 TYR 55 2HE TYR 55 -12.309 11.854 -2.820 349 HH TYR 55 HH TYR 55 -12.902 11.149 -4.961 350 H LYS 56 H LYS 56 -9.414 6.513 -1.175 351 HA LYS 56 HA LYS 56 -10.210 3.836 -0.288 352 HB3 LYS 56 2HB LYS 56 -11.997 4.178 -1.860 353 HG3 LYS 56 2HG LYS 56 -9.875 5.284 -3.796 354 HD3 LYS 56 2HD LYS 56 -12.153 5.238 -5.254 355 HE3 LYS 56 2HE LYS 56 -10.059 4.553 -6.195 356 HZ1 LYS 56 3HZ LYS 56 -9.273 3.203 -4.298 357 HZ2 LYS 56 1HZ LYS 56 -9.026 2.561 -5.772 358 HZ3 LYS 56 2HZ LYS 56 -10.229 1.953 -4.807 359 H MET 57 H MET 57 -8.762 2.188 -0.972 360 HA MET 57 HA MET 57 -6.438 2.990 -2.650 361 HB3 MET 57 2HB MET 57 -6.242 1.738 0.090 362 HG3 MET 57 2HG MET 57 -4.163 2.274 -2.061 363 HE1 MET 57 3HE MET 57 -2.127 4.145 0.624 364 HE2 MET 57 1HE MET 57 -2.535 4.076 -1.106 365 HE3 MET 57 2HE MET 57 -3.803 4.352 0.110 366 H ASP 58 H ASP 58 -5.640 1.504 -3.884 367 HA ASP 58 HA ASP 58 -6.730 -1.221 -3.821 368 HB3 ASP 58 2HB ASP 58 -7.313 0.858 -5.870 369 H VAL 59 H VAL 59 -5.046 -2.332 -3.675 370 HA VAL 59 HA VAL 59 -2.551 -1.462 -5.101 371 HB VAL 59 HB VAL 59 -1.267 -2.306 -3.594 372 HG11 VAL 59 1HG1 VAL 59 -1.686 -1.371 -1.401 373 HG12 VAL 59 2HG1 VAL 59 -2.349 -0.314 -2.671 374 HG13 VAL 59 3HG1 VAL 59 -3.430 -1.379 -1.724 375 HG21 VAL 59 3HG2 VAL 59 -3.187 -3.957 -2.069 376 HG22 VAL 59 1HG2 VAL 59 -2.079 -4.573 -3.331 377 HG23 VAL 59 2HG2 VAL 59 -1.443 -3.877 -1.853 378 H THR 60 H THR 60 -1.208 -3.181 -6.027 379 HA THR 60 HA THR 60 -2.158 -5.860 -5.834 380 HB THR 60 HB THR 60 -3.458 -5.931 -7.577 381 HG1 THR 60 1HG THR 60 -2.599 -6.318 -9.522 382 HG21 THR 60 3HG2 THR 60 -3.658 -4.259 -9.381 383 HG22 THR 60 1HG2 THR 60 -2.330 -3.334 -8.604 384 HG23 THR 60 2HG2 THR 60 -3.855 -3.634 -7.739 385 H GLY 61 H GLY 61 -0.434 -7.104 -5.720 386 HA2 GLY 61 1HA GLY 61 2.031 -6.342 -7.151 387 HA3 GLY 61 2HA GLY 61 2.173 -6.439 -5.384 388 H THR 62 H THR 62 3.763 -8.203 -6.704 389 HA THR 62 HA THR 62 2.421 -10.753 -6.312 390 HB THR 62 HB THR 62 3.946 -10.044 -8.819 391 HG1 THR 62 1HG THR 62 1.343 -9.774 -8.079 392 HG21 THR 62 3HG2 THR 62 3.219 -12.132 -9.763 393 HG22 THR 62 1HG2 THR 62 2.223 -12.498 -8.341 394 HG23 THR 62 2HG2 THR 62 4.002 -12.482 -8.221 395 H THR 63 H THR 63 3.653 -12.280 -5.536 396 HA THR 63 HA THR 63 6.067 -11.443 -4.194 397 HB THR 63 HB THR 63 5.828 -13.455 -2.919 398 HG1 THR 63 1HG THR 63 4.428 -15.106 -3.518 399 HG21 THR 63 3HG2 THR 63 2.969 -12.634 -3.604 400 HG22 THR 63 1HG2 THR 63 4.057 -11.737 -2.522 401 HG23 THR 63 2HG2 THR 63 3.577 -13.390 -2.131 402 H GLN 64 H GLN 64 7.928 -12.921 -3.868 403 HA GLN 64 HA GLN 64 9.475 -13.491 -6.093 404 HB3 GLN 64 2HB GLN 64 9.452 -15.043 -3.485 405 HG3 GLN 64 2HG GLN 64 11.279 -15.187 -5.602 406 HE21 GLN 64 1HE2 GLN 64 13.274 -14.692 -2.897 407 HE22 GLN 64 2HE2 GLN 64 13.886 -13.084 -3.261 408 H SER 65 H SER 65 7.018 -15.535 -4.457 409 HA SER 65 HA SER 65 7.558 -17.858 -6.111 410 HB3 SER 65 2HB SER 65 5.054 -17.962 -4.654 411 HG SER 65 HG SER 65 6.055 -19.626 -3.687 412 H GLY 66 H GLY 66 5.971 -14.950 -6.807 413 HA2 GLY 66 1HA GLY 66 4.885 -14.477 -8.779 414 HA3 GLY 66 2HA GLY 66 4.645 -16.192 -9.088 415 H GLU 67 H GLU 67 3.528 -15.263 -5.863 416 HA GLU 67 HA GLU 67 0.762 -15.753 -6.760 417 HB3 GLU 67 2HB GLU 67 0.391 -15.289 -4.216 418 HG3 GLU 67 2HG GLU 67 1.865 -17.694 -5.309 419 H LYS 68 H LYS 68 -0.825 -14.124 -6.520 420 HA LYS 68 HA LYS 68 0.266 -11.381 -6.559 421 HB3 LYS 68 2HB LYS 68 -2.400 -12.429 -7.602 422 HG3 LYS 68 2HG LYS 68 -0.732 -9.942 -8.116 423 HD3 LYS 68 2HD LYS 68 -3.356 -10.291 -9.495 424 HE3 LYS 68 2HE LYS 68 -0.662 -9.030 -10.039 425 HZ1 LYS 68 3HZ LYS 68 -1.320 -10.299 -12.015 426 HZ2 LYS 68 1HZ LYS 68 -1.313 -8.676 -12.276 427 HZ3 LYS 68 2HZ LYS 68 -2.738 -9.482 -12.078 428 H PHE 69 H PHE 69 -0.632 -9.929 -5.233 429 HA PHE 69 HA PHE 69 -2.916 -10.759 -3.497 430 HB3 PHE 69 2HB PHE 69 -0.974 -10.942 -2.146 431 HD1 PHE 69 1HD PHE 69 -0.921 -7.243 -2.378 432 HD2 PHE 69 2HD PHE 69 1.287 -10.882 -3.127 433 HE1 PHE 69 1HE PHE 69 1.114 -5.910 -2.674 434 HE2 PHE 69 2HE PHE 69 3.330 -9.564 -3.381 435 HZ PHE 69 HZ PHE 69 3.308 -7.070 -3.109 436 H THR 70 H THR 70 -4.405 -9.124 -3.044 437 HA THR 70 HA THR 70 -4.001 -6.552 -4.470 438 HB THR 70 HB THR 70 -6.602 -6.731 -4.750 439 HG1 THR 70 1HG THR 70 -6.178 -9.281 -4.051 440 HG21 THR 70 3HG2 THR 70 -5.282 -6.321 -6.612 441 HG22 THR 70 1HG2 THR 70 -6.308 -7.667 -7.048 442 HG23 THR 70 2HG2 THR 70 -4.600 -7.979 -6.647 443 H GLY 71 H GLY 71 -5.024 -4.788 -3.547 444 HA2 GLY 71 1HA GLY 71 -5.182 -4.917 -0.630 445 HA3 GLY 71 2HA GLY 71 -5.311 -3.481 -1.613 446 H HIS 72 H HIS 72 -7.266 -3.331 -2.945 447 HA HIS 72 HA HIS 72 -9.174 -2.303 -2.793 448 HB3 HIS 72 2HB HIS 72 -11.126 -3.735 -2.898 449 HD1 HIS 72 1HD HIS 72 -10.311 -2.988 -5.423 450 HD2 HIS 72 2HD HIS 72 -8.716 -6.535 -3.740 451 HE1 HIS 72 1HE HIS 72 -9.037 -4.179 -7.279 452 H PHE 73 H PHE 73 -8.970 -0.853 -1.188 453 HA PHE 73 HA PHE 73 -10.281 -1.441 1.404 454 HB3 PHE 73 2HB PHE 73 -8.675 0.108 2.371 455 HD1 PHE 73 2HD PHE 73 -8.799 -2.604 2.689 456 HD2 PHE 73 1HD PHE 73 -5.919 -0.457 0.338 457 HE1 PHE 73 2HE PHE 73 -7.129 -4.443 3.044 458 HE2 PHE 73 1HE PHE 73 -4.227 -2.245 0.767 459 HZ PHE 73 HZ PHE 73 -4.885 -4.236 2.135 460 H LYS 74 H LYS 74 -11.673 0.051 2.169 461 HA LYS 74 HA LYS 74 -12.265 2.514 0.619 462 HB3 LYS 74 2HB LYS 74 -14.769 1.878 1.054 463 HG3 LYS 74 2HG LYS 74 -13.023 0.530 -1.034 464 HD3 LYS 74 2HD LYS 74 -16.071 0.498 -0.903 465 HE3 LYS 74 2HE LYS 74 -14.015 -0.622 -2.857 466 HZ1 LYS 74 3HZ LYS 74 -15.927 -2.081 -2.582 467 HZ2 LYS 74 1HZ LYS 74 -15.850 -1.435 -4.092 468 HZ3 LYS 74 2HZ LYS 74 -16.956 -0.884 -2.969 469 H GLY 75 H GLY 75 -13.586 4.017 1.904 470 HA2 GLY 75 1HA GLY 75 -14.026 5.209 3.729 471 HA3 GLY 75 2HA GLY 75 -14.074 3.692 4.678 472 H LEU 76 H LEU 76 -11.591 5.553 2.893 473 HA LEU 76 HA LEU 76 -9.676 5.023 5.110 474 HB3 LEU 76 2HB LEU 76 -8.175 6.322 3.446 475 HG LEU 76 HG LEU 76 -8.351 4.543 1.598 476 HD11 LEU 76 1HD1 LEU 76 -7.569 3.756 4.433 477 HD12 LEU 76 2HD1 LEU 76 -6.524 4.592 3.262 478 HD13 LEU 76 3HD1 LEU 76 -7.040 2.916 2.972 479 HD21 LEU 76 3HD2 LEU 76 -9.899 2.974 3.620 480 HD22 LEU 76 1HD2 LEU 76 -9.166 2.368 2.126 481 HD23 LEU 76 2HD2 LEU 76 -10.460 3.561 2.027 482 H VAL 77 H VAL 77 -8.831 6.641 6.424 483 HA VAL 77 HA VAL 77 -9.756 9.412 6.124 484 HB VAL 77 HB VAL 77 -10.243 9.477 8.600 485 HG11 VAL 77 1HG1 VAL 77 -12.533 8.857 8.315 486 HG12 VAL 77 2HG1 VAL 77 -11.932 9.598 6.827 487 HG13 VAL 77 3HG1 VAL 77 -12.144 7.825 6.928 488 HG21 VAL 77 3HG2 VAL 77 -10.613 6.455 8.345 489 HG22 VAL 77 1HG2 VAL 77 -9.247 7.222 9.190 490 HG23 VAL 77 2HG2 VAL 77 -10.895 7.477 9.767 491 H GLY 78 H GLY 78 -8.562 10.910 7.533 492 HA2 GLY 78 1HA GLY 78 -6.583 11.636 8.515 493 HA3 GLY 78 2HA GLY 78 -5.984 9.973 8.489 494 H LYS 79 H LYS 79 -4.353 12.097 7.638 495 HA LYS 79 HA LYS 79 -4.470 12.174 4.668 496 HB3 LYS 79 2HB LYS 79 -2.868 14.085 6.333 497 HG3 LYS 79 2HG LYS 79 -4.623 14.440 3.849 498 HD3 LYS 79 2HD LYS 79 -4.073 16.460 5.306 499 HE3 LYS 79 2HE LYS 79 -1.366 16.423 3.997 500 HZ1 LYS 79 3HZ LYS 79 -2.157 17.405 6.669 501 HZ2 LYS 79 1HZ LYS 79 -2.409 18.313 5.361 502 HZ3 LYS 79 2HZ LYS 79 -0.863 17.865 5.780 503 H ASP 80 H ASP 80 -3.246 10.047 6.450 504 HA ASP 80 HA ASP 80 -1.049 9.622 4.650 505 HB3 ASP 80 2HB ASP 80 0.203 10.324 6.656 506 H THR 81 H THR 81 -0.550 7.271 4.678 507 HA THR 81 HA THR 81 -2.500 5.400 5.866 508 HB THR 81 HB THR 81 -2.051 5.653 2.846 509 HG1 THR 81 1HG THR 81 -3.836 6.920 4.475 510 HG21 THR 81 3HG2 THR 81 -3.984 4.116 2.721 511 HG22 THR 81 1HG2 THR 81 -4.010 4.031 4.494 512 HG23 THR 81 2HG2 THR 81 -2.609 3.388 3.590 513 H ARG 82 H ARG 82 -1.549 3.245 5.838 514 HA ARG 82 HA ARG 82 1.099 3.004 4.569 515 HB3 ARG 82 2HB ARG 82 2.161 1.916 6.412 516 HG3 ARG 82 2HG ARG 82 0.683 4.242 7.639 517 HD3 ARG 82 2HD ARG 82 3.591 3.744 8.172 518 HE ARG 82 HE ARG 82 2.267 4.375 10.480 519 HH11 ARG 82 1HH1 ARG 82 2.511 6.125 7.333 520 HH12 ARG 82 2HH1 ARG 82 1.858 7.560 7.977 521 HH21 ARG 82 1HH2 ARG 82 1.225 6.317 11.214 522 HH22 ARG 82 2HH2 ARG 82 0.774 7.470 9.976 523 H VAL 83 H VAL 83 1.650 0.661 4.346 524 HA VAL 83 HA VAL 83 -0.759 -1.056 4.281 525 HB VAL 83 HB VAL 83 1.327 -0.792 2.136 526 HG11 VAL 83 1HG1 VAL 83 -0.224 -2.297 0.852 527 HG12 VAL 83 2HG1 VAL 83 0.450 -3.080 2.291 528 HG13 VAL 83 3HG1 VAL 83 -1.212 -2.448 2.320 529 HG21 VAL 83 3HG2 VAL 83 -0.536 0.061 0.707 530 HG22 VAL 83 1HG2 VAL 83 -1.591 0.101 2.139 531 HG23 VAL 83 2HG2 VAL 83 -0.161 1.156 2.036 532 H PHE 84 H PHE 84 -0.567 -2.821 5.319 533 HA PHE 84 HA PHE 84 2.164 -3.801 6.104 534 HB3 PHE 84 2HB PHE 84 0.961 -4.914 7.985 535 HD1 PHE 84 1HD PHE 84 2.537 -2.068 7.318 536 HD2 PHE 84 2HD PHE 84 -0.661 -3.366 9.878 537 HE1 PHE 84 1HE PHE 84 2.978 -0.163 8.819 538 HE2 PHE 84 2HE PHE 84 -0.167 -1.509 11.427 539 HZ PHE 84 HZ PHE 84 1.619 0.141 10.885 540 H ILE 85 H ILE 85 2.605 -5.134 4.396 541 HA ILE 85 HA ILE 85 0.557 -6.985 3.344 542 HB ILE 85 HB ILE 85 3.566 -7.050 2.874 543 HG13 ILE 85 2HG1 ILE 85 2.655 -4.806 2.178 544 HG21 ILE 85 1HG2 ILE 85 1.245 -8.085 1.152 545 HG22 ILE 85 2HG2 ILE 85 2.987 -8.396 0.919 546 HG23 ILE 85 3HG2 ILE 85 2.135 -9.082 2.295 547 HD11 ILE 85 3HD1 ILE 85 3.272 -6.468 -0.280 548 HD12 ILE 85 1HD1 ILE 85 3.460 -4.721 -0.060 549 HD13 ILE 85 2HD1 ILE 85 4.497 -5.830 0.847 550 H GLU 86 H GLU 86 0.199 -8.962 4.258 551 HA GLU 86 HA GLU 86 2.137 -10.332 5.945 552 HB3 GLU 86 2HB GLU 86 0.389 -10.766 7.675 553 HG3 GLU 86 2HG GLU 86 0.662 -7.791 7.662 554 H LEU 87 H LEU 87 0.910 -12.448 6.591 555 HA LEU 87 HA LEU 87 -0.246 -13.576 4.092 556 HB3 LEU 87 2HB LEU 87 0.627 -15.720 4.758 557 HG LEU 87 HG LEU 87 2.623 -13.482 5.285 558 HD11 LEU 87 1HD1 LEU 87 2.962 -16.381 5.730 559 HD12 LEU 87 2HD1 LEU 87 3.749 -15.009 6.501 560 HD13 LEU 87 3HD1 LEU 87 4.272 -15.532 4.881 561 HD21 LEU 87 3HD2 LEU 87 1.813 -13.676 3.006 562 HD22 LEU 87 1HD2 LEU 87 2.261 -15.393 2.967 563 HD23 LEU 87 2HD2 LEU 87 3.517 -14.133 3.126 564 H ASP 88 H ASP 88 -1.596 -15.656 4.612 565 HA ASP 88 HA ASP 88 -3.647 -15.024 6.705 566 HB3 ASP 88 2HB ASP 88 -4.432 -16.647 4.329 567 H GLU 89 H GLU 89 -5.126 -17.256 6.819 568 HA GLU 89 HA GLU 89 -3.626 -18.630 8.683 569 HB3 GLU 89 2HB GLU 89 -6.040 -18.329 8.722 570 HG3 GLU 89 2HG GLU 89 -6.193 -20.650 6.768 571 H ASN 90 H ASN 90 -4.207 -19.592 5.279 572 HA ASN 90 HA ASN 90 -2.575 -22.058 5.725 573 HB3 ASN 90 2HB ASN 90 -3.377 -22.811 3.566 574 HD21 ASN 90 1HD2 ASN 90 -6.285 -22.349 3.173 575 HD22 ASN 90 2HD2 ASN 90 -7.033 -23.268 4.469 576 H ALA 91 H ALA 91 -1.412 -19.422 5.742 577 HA ALA 91 HA ALA 91 0.484 -18.402 5.002 578 HB1 ALA 91 1HB ALA 91 2.125 -19.979 3.792 579 HB2 ALA 91 2HB ALA 91 1.455 -20.605 5.305 580 HB3 ALA 91 3HB ALA 91 0.859 -21.160 3.725 581 H ASP 92 H ASP 92 -1.924 -17.968 3.561 582 HA ASP 92 HA ASP 92 -1.335 -17.694 0.676 583 HB3 ASP 92 2HB ASP 92 -3.620 -16.732 0.599 584 H VAL 93 H VAL 93 -1.841 -15.292 -0.191 585 HA VAL 93 HA VAL 93 -0.610 -13.362 1.739 586 HB VAL 93 HB VAL 93 -0.396 -13.219 -1.285 587 HG11 VAL 93 1HG1 VAL 93 1.122 -11.902 1.019 588 HG12 VAL 93 2HG1 VAL 93 1.455 -11.659 -0.717 589 HG13 VAL 93 3HG1 VAL 93 -0.055 -11.089 -0.005 590 HG21 VAL 93 3HG2 VAL 93 0.749 -15.231 -0.709 591 HG22 VAL 93 1HG2 VAL 93 1.977 -13.973 -0.863 592 HG23 VAL 93 2HG2 VAL 93 1.446 -14.507 0.747 593 H GLN 94 H GLN 94 -1.718 -11.672 2.311 594 HA GLN 94 HA GLN 94 -4.064 -10.775 0.718 595 HB3 GLN 94 2HB GLN 94 -5.297 -10.346 2.703 596 HG3 GLN 94 2HG GLN 94 -5.580 -12.439 3.830 597 HE21 GLN 94 1HE2 GLN 94 -4.217 -14.696 1.960 598 HE22 GLN 94 2HE2 GLN 94 -5.288 -14.729 0.581 599 H VAL 95 H VAL 95 -4.456 -8.422 2.401 600 HA VAL 95 HA VAL 95 -1.924 -7.112 2.604 601 HB VAL 95 HB VAL 95 -4.066 -5.878 0.828 602 HG11 VAL 95 1HG1 VAL 95 -1.230 -4.950 1.475 603 HG12 VAL 95 2HG1 VAL 95 -2.406 -4.098 0.436 604 HG13 VAL 95 3HG1 VAL 95 -2.700 -4.246 2.166 605 HG21 VAL 95 3HG2 VAL 95 -1.353 -6.969 0.016 606 HG22 VAL 95 1HG2 VAL 95 -2.939 -7.606 -0.477 607 HG23 VAL 95 2HG2 VAL 95 -2.446 -6.014 -1.030 608 H PHE 96 H PHE 96 -2.065 -5.853 4.418 609 HA PHE 96 HA PHE 96 -4.748 -5.149 5.509 610 HB3 PHE 96 2HB PHE 96 -2.204 -5.948 6.998 611 HD1 PHE 96 1HD PHE 96 -5.927 -6.157 7.402 612 HD2 PHE 96 2HD PHE 96 -2.206 -4.725 9.048 613 HE1 PHE 96 1HE PHE 96 -7.127 -5.333 9.443 614 HE2 PHE 96 2HE PHE 96 -3.380 -3.970 11.097 615 HZ PHE 96 HZ PHE 96 -5.853 -4.252 11.283 616 H ILE 97 H ILE 97 -4.444 -3.360 7.260 617 HA ILE 97 HA ILE 97 -2.400 -1.382 6.639 618 HB ILE 97 HB ILE 97 -4.354 0.287 6.240 619 HG13 ILE 97 2HG1 ILE 97 -6.265 -1.260 6.714 620 HG21 ILE 97 1HG2 ILE 97 -3.877 0.333 4.052 621 HG22 ILE 97 2HG2 ILE 97 -2.648 -0.805 4.530 622 HG23 ILE 97 3HG2 ILE 97 -4.106 -1.428 3.800 623 HD11 ILE 97 3HD1 ILE 97 -6.196 -0.478 3.791 624 HD12 ILE 97 1HD1 ILE 97 -7.625 -0.584 4.834 625 HD13 ILE 97 2HD1 ILE 97 -6.426 0.717 5.081 626 HA PRO 98 HA PRO 98 -3.558 -0.335 10.814 627 HB3 PRO 98 2HB PRO 98 -1.395 0.358 11.198 628 HG3 PRO 98 2HG PRO 98 -0.121 1.386 9.457 629 HD3 PRO 98 2HD PRO 98 -0.916 -0.605 8.391 630 H GLN 99 H GLN 99 -5.733 0.006 10.179 631 HA GLN 99 HA GLN 99 -6.620 2.808 9.640 632 HB3 GLN 99 2HB GLN 99 -8.899 1.621 9.660 633 HG3 GLN 99 2HG GLN 99 -8.585 0.568 7.438 634 HE21 GLN 99 1HE2 GLN 99 -5.946 2.891 7.100 635 HE22 GLN 99 2HE2 GLN 99 -6.965 4.218 6.601 636 H GLY 100 H GLY 100 -8.962 2.675 11.333 637 HA2 GLY 100 1HA GLY 100 -8.712 1.613 13.819 638 HA3 GLY 100 2HA GLY 100 -7.733 3.102 13.950 639 H GLU 101 H GLU 101 -9.619 4.390 11.919 640 HA GLU 101 HA GLU 101 -12.020 4.686 13.647 641 HB3 GLU 101 2HB GLU 101 -12.212 7.011 13.039 642 HG3 GLU 101 2HG GLU 101 -9.384 7.089 13.980 643 H ILE 102 H ILE 102 -12.691 2.805 12.319 644 HA ILE 102 HA ILE 102 -13.929 3.685 9.859 645 HB ILE 102 HB ILE 102 -11.932 2.811 8.958 646 HG13 ILE 102 2HG1 ILE 102 -14.240 2.094 8.156 647 HG21 ILE 102 1HG2 ILE 102 -10.978 1.573 10.877 648 HG22 ILE 102 2HG2 ILE 102 -12.198 0.306 10.673 649 HG23 ILE 102 3HG2 ILE 102 -10.989 0.577 9.414 650 HD11 ILE 102 3HD1 ILE 102 -13.412 0.620 6.405 651 HD12 ILE 102 1HD1 ILE 102 -12.204 1.876 6.715 652 HD13 ILE 102 2HD1 ILE 102 -11.961 0.231 7.348 653 H ASP 103 H ASP 103 -15.990 3.425 10.351 654 HA ASP 103 HA ASP 103 -16.932 0.850 11.462 655 HB3 ASP 103 2HB ASP 103 -17.676 3.616 12.484 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -8.524 29.168 -1.584 2 HA2 GLY 1 1HA GLY 1 -6.282 29.985 -1.090 3 HA3 GLY 1 2HA GLY 1 -6.315 28.205 -1.026 4 H ALA 2 H ALA 2 -4.542 27.355 -2.006 5 HA ALA 2 HA ALA 2 -3.776 28.354 -4.689 6 HB1 ALA 2 1HB ALA 2 -2.039 29.064 -3.059 7 HB2 ALA 2 2HB ALA 2 -1.926 27.397 -2.448 8 HB3 ALA 2 3HB ALA 2 -1.434 27.774 -4.114 9 H GLN 3 H GLN 3 -3.061 26.620 -6.037 10 HA GLN 3 HA GLN 3 -4.402 24.071 -5.361 11 HB3 GLN 3 2HB GLN 3 -3.230 24.861 -8.040 12 HG3 GLN 3 2HG GLN 3 -4.216 22.578 -7.892 13 HE21 GLN 3 1HE2 GLN 3 -5.548 21.332 -6.620 14 HE22 GLN 3 2HE2 GLN 3 -7.134 21.809 -6.035 15 H ASP 4 H ASP 4 -1.299 25.183 -4.703 16 HA ASP 4 HA ASP 4 -0.085 22.599 -4.811 17 HB3 ASP 4 2HB ASP 4 0.938 24.849 -6.604 18 H GLY 5 H GLY 5 0.292 22.795 -2.668 19 HA2 GLY 5 1HA GLY 5 1.521 25.310 -1.659 20 HA3 GLY 5 2HA GLY 5 0.081 24.617 -0.924 21 H LYS 6 H LYS 6 0.586 23.348 0.883 22 HA LYS 6 HA LYS 6 2.670 21.353 0.584 23 HB3 LYS 6 2HB LYS 6 2.809 23.120 3.050 24 HG3 LYS 6 2HG LYS 6 4.507 20.827 1.993 25 HD3 LYS 6 2HD LYS 6 4.791 22.246 4.663 26 HE3 LYS 6 2HE LYS 6 6.727 20.522 3.047 27 HZ1 LYS 6 3HZ LYS 6 7.582 21.929 4.927 28 HZ2 LYS 6 1HZ LYS 6 7.865 20.320 5.103 29 HZ3 LYS 6 2HZ LYS 6 6.663 21.069 5.955 30 H GLU 7 H GLU 7 0.871 19.961 0.425 31 HA GLU 7 HA GLU 7 -0.531 19.440 2.894 32 HB3 GLU 7 2HB GLU 7 -2.412 20.201 0.648 33 HG3 GLU 7 2HG GLU 7 -2.451 20.786 3.646 34 H THR 8 H THR 8 1.086 17.932 1.101 35 HA THR 8 HA THR 8 -0.708 16.001 -0.191 36 HB THR 8 HB THR 8 1.430 14.605 -0.382 37 HG1 THR 8 1HG THR 8 3.293 15.501 0.026 38 HG21 THR 8 3HG2 THR 8 0.541 15.832 -2.254 39 HG22 THR 8 1HG2 THR 8 2.298 16.033 -2.228 40 HG23 THR 8 2HG2 THR 8 1.238 17.352 -1.670 41 H THR 9 H THR 9 -0.773 13.748 0.317 42 HA THR 9 HA THR 9 -0.805 13.028 3.137 43 HB THR 9 HB THR 9 -1.533 10.800 1.876 44 HG1 THR 9 1HG THR 9 -2.511 11.521 -0.201 45 HG21 THR 9 3HG2 THR 9 -3.078 12.026 3.066 46 HG22 THR 9 1HG2 THR 9 -3.811 11.721 1.509 47 HG23 THR 9 2HG2 THR 9 -3.174 13.340 1.856 48 H THR 10 H THR 10 -0.003 10.617 3.301 49 HA THR 10 HA THR 10 2.461 10.257 1.774 50 HB THR 10 HB THR 10 2.136 9.584 4.739 51 HG1 THR 10 1HG THR 10 2.243 11.708 4.701 52 HG21 THR 10 3HG2 THR 10 3.824 8.182 3.704 53 HG22 THR 10 1HG2 THR 10 4.606 9.405 4.711 54 HG23 THR 10 2HG2 THR 10 4.590 9.607 2.939 55 H ILE 11 H ILE 11 2.953 7.978 1.365 56 HA ILE 11 HA ILE 11 0.961 6.026 2.320 57 HB ILE 11 HB ILE 11 2.238 6.129 -0.440 58 HG13 ILE 11 2HG1 ILE 11 0.183 7.571 -0.062 59 HG21 ILE 11 1HG2 ILE 11 0.467 3.958 0.805 60 HG22 ILE 11 2HG2 ILE 11 1.002 3.987 -0.887 61 HG23 ILE 11 3HG2 ILE 11 2.183 3.807 0.383 62 HD11 ILE 11 3HD1 ILE 11 -0.278 5.314 -2.034 63 HD12 ILE 11 1HD1 ILE 11 -0.997 6.922 -2.004 64 HD13 ILE 11 2HD1 ILE 11 0.744 6.749 -2.314 65 H ARG 12 H ARG 12 1.998 4.125 3.014 66 HA ARG 12 HA ARG 12 4.921 3.963 2.692 67 HB3 ARG 12 2HB ARG 12 3.516 3.939 5.377 68 HG3 ARG 12 2HG ARG 12 6.454 4.319 5.318 69 HD3 ARG 12 2HD ARG 12 6.221 2.269 6.893 70 HE ARG 12 HE ARG 12 4.475 4.615 7.624 71 HH11 ARG 12 1HH1 ARG 12 7.775 3.338 7.658 72 HH12 ARG 12 2HH1 ARG 12 8.232 4.154 9.091 73 HH21 ARG 12 1HH2 ARG 12 5.085 5.731 9.562 74 HH22 ARG 12 2HH2 ARG 12 6.635 5.387 10.286 75 H LEU 13 H LEU 13 5.362 2.006 2.058 76 HA LEU 13 HA LEU 13 3.356 -0.213 2.485 77 HB3 LEU 13 2HB LEU 13 5.035 -1.385 0.816 78 HG LEU 13 HG LEU 13 4.039 -0.125 -1.211 79 HD11 LEU 13 1HD1 LEU 13 3.210 -2.267 -0.633 80 HD12 LEU 13 2HD1 LEU 13 1.787 -1.222 -0.853 81 HD13 LEU 13 3HD1 LEU 13 2.366 -1.643 0.790 82 HD21 LEU 13 3HD2 LEU 13 3.399 1.929 0.017 83 HD22 LEU 13 1HD2 LEU 13 2.147 1.015 0.878 84 HD23 LEU 13 2HD2 LEU 13 2.063 1.182 -0.882 85 H ILE 14 H ILE 14 3.820 -1.844 4.000 86 HA ILE 14 HA ILE 14 6.662 -2.272 4.722 87 HB ILE 14 HB ILE 14 4.308 -2.813 6.552 88 HG13 ILE 14 2HG1 ILE 14 5.976 -0.246 6.431 89 HG21 ILE 14 1HG2 ILE 14 7.284 -2.457 7.085 90 HG22 ILE 14 2HG2 ILE 14 6.037 -2.955 8.261 91 HG23 ILE 14 3HG2 ILE 14 6.491 -3.999 6.898 92 HD11 ILE 14 3HD1 ILE 14 3.017 -0.885 6.377 93 HD12 ILE 14 1HD1 ILE 14 3.560 0.566 7.223 94 HD13 ILE 14 2HD1 ILE 14 3.922 0.354 5.503 95 H ASN 15 H ASN 15 7.386 -4.261 4.334 96 HA ASN 15 HA ASN 15 5.538 -6.147 3.070 97 HB3 ASN 15 2HB ASN 15 8.566 -6.187 3.159 98 HD21 ASN 15 1HD2 ASN 15 9.450 -7.606 1.625 99 HD22 ASN 15 2HD2 ASN 15 8.483 -8.763 0.728 100 H GLN 16 H GLN 16 4.855 -6.549 5.541 101 HA GLN 16 HA GLN 16 6.734 -7.896 7.231 102 HB3 GLN 16 2HB GLN 16 4.990 -7.921 8.880 103 HG3 GLN 16 2HG GLN 16 4.515 -5.364 7.295 104 HE21 GLN 16 1HE2 GLN 16 2.651 -6.139 9.370 105 HE22 GLN 16 2HE2 GLN 16 2.999 -4.996 10.628 106 H THR 17 H THR 17 5.202 -9.246 4.638 107 HA THR 17 HA THR 17 4.708 -11.908 5.577 108 HB THR 17 HB THR 17 5.085 -12.149 2.899 109 HG1 THR 17 1HG THR 17 5.865 -10.084 2.534 110 HG21 THR 17 3HG2 THR 17 2.791 -10.578 4.068 111 HG22 THR 17 1HG2 THR 17 2.961 -12.325 4.225 112 HG23 THR 17 2HG2 THR 17 2.756 -11.597 2.619 113 H TYR 18 H TYR 18 6.000 -13.619 4.103 114 HA TYR 18 HA TYR 18 8.714 -13.693 5.157 115 HB3 TYR 18 2HB TYR 18 7.181 -15.479 5.615 116 HD1 TYR 18 2HD TYR 18 5.945 -14.606 2.481 117 HD2 TYR 18 1HD TYR 18 7.306 -18.103 4.617 118 HE1 TYR 18 2HE TYR 18 4.354 -16.007 1.235 119 HE2 TYR 18 1HE TYR 18 5.759 -19.501 3.324 120 HH TYR 18 HH TYR 18 3.436 -18.163 0.937 121 H PHE 19 H PHE 19 7.795 -12.360 2.320 122 HA PHE 19 HA PHE 19 9.897 -13.769 0.725 123 HB3 PHE 19 2HB PHE 19 7.882 -14.660 -0.047 124 HD1 PHE 19 2HD PHE 19 7.372 -10.867 -0.306 125 HD2 PHE 19 1HD PHE 19 5.521 -14.800 -0.201 126 HE1 PHE 19 2HE PHE 19 5.169 -9.853 -0.033 127 HE2 PHE 19 1HE PHE 19 3.409 -13.758 0.240 128 HZ PHE 19 HZ PHE 19 3.177 -11.280 0.277 129 H ASN 20 H ASN 20 9.891 -12.338 -1.522 130 HA ASN 20 HA ASN 20 10.633 -9.541 -0.801 131 HB3 ASN 20 2HB ASN 20 11.726 -11.483 -2.897 132 HD21 ASN 20 1HD2 ASN 20 12.468 -10.501 -4.799 133 HD22 ASN 20 2HD2 ASN 20 12.915 -8.810 -4.843 134 H VAL 21 H VAL 21 9.815 -7.973 -2.317 135 HA VAL 21 HA VAL 21 8.053 -8.940 -4.518 136 HB VAL 21 HB VAL 21 6.406 -7.128 -3.863 137 HG11 VAL 21 1HG1 VAL 21 5.792 -9.398 -3.663 138 HG12 VAL 21 2HG1 VAL 21 6.630 -9.572 -2.111 139 HG13 VAL 21 3HG1 VAL 21 5.191 -8.543 -2.245 140 HG21 VAL 21 3HG2 VAL 21 6.274 -6.391 -1.555 141 HG22 VAL 21 1HG2 VAL 21 7.531 -7.535 -1.060 142 HG23 VAL 21 2HG2 VAL 21 7.980 -6.142 -2.019 143 H LYS 22 H LYS 22 8.138 -7.606 -6.333 144 HA LYS 22 HA LYS 22 10.130 -5.385 -6.276 145 HB3 LYS 22 2HB LYS 22 11.504 -7.329 -6.558 146 HG3 LYS 22 2HG LYS 22 11.020 -8.719 -8.794 147 HD3 LYS 22 2HD LYS 22 9.890 -9.213 -6.037 148 HE3 LYS 22 2HE LYS 22 8.535 -10.406 -7.959 149 HZ1 LYS 22 3HZ LYS 22 10.194 -11.640 -9.079 150 HZ2 LYS 22 1HZ LYS 22 9.578 -12.720 -8.031 151 HZ3 LYS 22 2HZ LYS 22 11.024 -12.017 -7.713 152 H ASN 23 H ASN 23 7.320 -5.544 -6.716 153 HA ASN 23 HA ASN 23 6.947 -4.175 -9.181 154 HB3 ASN 23 2HB ASN 23 7.309 -6.367 -10.246 155 HD21 ASN 23 1HD2 ASN 23 5.103 -6.835 -7.463 156 HD22 ASN 23 2HD2 ASN 23 5.693 -8.468 -7.076 157 H ILE 24 H ILE 24 6.181 -3.457 -6.636 158 HA ILE 24 HA ILE 24 3.360 -4.330 -6.297 159 HB ILE 24 HB ILE 24 4.863 -2.338 -4.558 160 HG13 ILE 24 2HG1 ILE 24 4.946 -5.368 -4.467 161 HG21 ILE 24 1HG2 ILE 24 2.389 -2.408 -4.379 162 HG22 ILE 24 2HG2 ILE 24 2.450 -4.151 -4.056 163 HG23 ILE 24 3HG2 ILE 24 3.154 -2.995 -2.910 164 HD11 ILE 24 3HD1 ILE 24 7.218 -4.653 -3.326 165 HD12 ILE 24 1HD1 ILE 24 7.097 -4.598 -5.074 166 HD13 ILE 24 2HD1 ILE 24 6.952 -3.120 -4.096 167 H LYS 25 H LYS 25 1.985 -3.305 -7.531 168 HA LYS 25 HA LYS 25 2.243 -0.482 -8.363 169 HB3 LYS 25 2HB LYS 25 -0.347 -1.851 -8.709 170 HG3 LYS 25 2HG LYS 25 0.014 -1.447 -11.157 171 HD3 LYS 25 2HD LYS 25 0.282 1.098 -10.981 172 HE3 LYS 25 2HE LYS 25 -1.903 1.364 -9.775 173 HZ1 LYS 25 3HZ LYS 25 -1.958 -0.762 -11.817 174 HZ2 LYS 25 1HZ LYS 25 -2.015 0.862 -12.087 175 HZ3 LYS 25 2HZ LYS 25 -3.219 0.141 -11.265 176 H VAL 26 H VAL 26 1.229 1.125 -7.064 177 HA VAL 26 HA VAL 26 -0.859 0.175 -5.198 178 HB VAL 26 HB VAL 26 1.339 0.461 -4.026 179 HG11 VAL 26 1HG1 VAL 26 2.435 2.439 -3.823 180 HG12 VAL 26 2HG1 VAL 26 1.900 2.614 -5.471 181 HG13 VAL 26 3HG1 VAL 26 0.999 3.442 -4.180 182 HG21 VAL 26 3HG2 VAL 26 -0.980 2.251 -3.216 183 HG22 VAL 26 1HG2 VAL 26 -0.708 0.553 -2.767 184 HG23 VAL 26 2HG2 VAL 26 0.368 1.819 -2.154 185 H THR 27 H THR 27 -2.597 1.611 -5.076 186 HA THR 27 HA THR 27 -2.547 4.020 -6.786 187 HB THR 27 HB THR 27 -4.701 1.874 -6.650 188 HG1 THR 27 1HG THR 27 -3.915 1.226 -8.674 189 HG21 THR 27 3HG2 THR 27 -4.271 4.144 -8.631 190 HG22 THR 27 1HG2 THR 27 -5.509 4.081 -7.358 191 HG23 THR 27 2HG2 THR 27 -5.560 2.927 -8.703 192 H TRP 28 H TRP 28 -3.721 5.717 -5.849 193 HA TRP 28 HA TRP 28 -5.175 5.255 -3.265 194 HB3 TRP 28 2HB TRP 28 -2.851 5.831 -2.802 195 HD1 TRP 28 HD TRP 28 -3.687 9.488 -3.534 196 HE1 TRP 28 1HE TRP 28 -1.817 10.508 -4.879 197 HE3 TRP 28 3HE TRP 28 -1.195 5.207 -4.635 198 HZ2 TRP 28 2HZ TRP 28 0.579 9.521 -6.379 199 HZ3 TRP 28 3HZ TRP 28 0.876 5.244 -6.003 200 HH2 TRP 28 HH TRP 28 1.751 7.426 -6.891 201 H ASN 29 H ASN 29 -5.811 6.003 -6.185 202 HA ASN 29 HA ASN 29 -7.945 7.656 -5.450 203 HB3 ASN 29 2HB ASN 29 -6.733 9.167 -7.686 204 HD21 ASN 29 1HD2 ASN 29 -7.120 9.645 -4.120 205 HD22 ASN 29 2HD2 ASN 29 -8.495 10.757 -4.285 206 H ASP 30 H ASP 30 -8.866 8.365 -8.089 207 HA ASP 30 HA ASP 30 -9.355 5.623 -9.096 208 HB3 ASP 30 2HB ASP 30 -10.813 6.780 -10.747 209 H GLY 31 H GLY 31 -7.018 5.337 -9.521 210 HA2 GLY 31 1HA GLY 31 -5.669 4.839 -11.391 211 HA3 GLY 31 2HA GLY 31 -6.353 6.204 -12.266 212 H LYS 32 H LYS 32 -5.457 7.377 -9.183 213 HA LYS 32 HA LYS 32 -2.854 8.307 -10.216 214 HB3 LYS 32 2HB LYS 32 -3.270 8.821 -7.353 215 HG3 LYS 32 2HG LYS 32 -2.916 11.109 -7.908 216 HD3 LYS 32 2HD LYS 32 -1.126 9.345 -9.634 217 HE3 LYS 32 2HE LYS 32 -0.785 12.353 -9.333 218 HZ1 LYS 32 3HZ LYS 32 0.562 10.320 -11.040 219 HZ2 LYS 32 1HZ LYS 32 1.253 11.156 -9.801 220 HZ3 LYS 32 2HZ LYS 32 0.810 11.913 -11.156 221 H GLU 33 H GLU 33 -1.166 6.889 -10.082 222 HA GLU 33 HA GLU 33 -0.961 4.991 -7.882 223 HB3 GLU 33 2HB GLU 33 -2.373 3.861 -9.579 224 HG3 GLU 33 2HG GLU 33 -0.069 4.270 -11.507 225 H GLN 34 H GLN 34 1.125 3.864 -8.017 226 HA GLN 34 HA GLN 34 3.047 4.503 -10.010 227 HB3 GLN 34 2HB GLN 34 3.382 6.522 -8.634 228 HG3 GLN 34 2HG GLN 34 3.084 5.245 -6.316 229 HE21 GLN 34 1HE2 GLN 34 4.051 3.491 -5.257 230 HE22 GLN 34 2HE2 GLN 34 5.775 3.160 -5.348 231 H THR 35 H THR 35 5.269 3.209 -9.367 232 HA THR 35 HA THR 35 4.399 0.872 -7.780 233 HB THR 35 HB THR 35 5.220 -0.700 -9.253 234 HG1 THR 35 1HG THR 35 6.057 0.085 -11.362 235 HG21 THR 35 3HG2 THR 35 4.085 1.279 -11.242 236 HG22 THR 35 1HG2 THR 35 3.081 0.604 -9.969 237 HG23 THR 35 2HG2 THR 35 3.845 -0.481 -11.145 238 H VAL 36 H VAL 36 6.015 -0.228 -6.605 239 HA VAL 36 HA VAL 36 7.990 1.714 -5.545 240 HB VAL 36 HB VAL 36 6.983 -1.043 -4.742 241 HG11 VAL 36 1HG1 VAL 36 8.232 -0.861 -2.617 242 HG12 VAL 36 2HG1 VAL 36 9.310 -1.040 -3.978 243 HG13 VAL 36 3HG1 VAL 36 9.102 0.561 -3.237 244 HG21 VAL 36 3HG2 VAL 36 5.455 0.819 -4.299 245 HG22 VAL 36 1HG2 VAL 36 6.106 0.219 -2.772 246 HG23 VAL 36 2HG2 VAL 36 6.746 1.717 -3.467 247 H ASN 37 H ASN 37 10.341 0.894 -5.187 248 HA ASN 37 HA ASN 37 11.404 -0.343 -7.609 249 HB3 ASN 37 2HB ASN 37 12.739 0.240 -4.924 250 HD21 ASN 37 1HD2 ASN 37 14.643 -1.011 -4.837 251 HD22 ASN 37 2HD2 ASN 37 15.564 -1.529 -6.191 252 H THR 38 H THR 38 12.132 -1.591 -4.283 253 HA THR 38 HA THR 38 10.720 -4.082 -4.730 254 HB THR 38 HB THR 38 13.767 -3.882 -4.771 255 HG1 THR 38 1HG THR 38 12.534 -3.804 -6.745 256 HG21 THR 38 3HG2 THR 38 13.229 -5.774 -3.265 257 HG22 THR 38 1HG2 THR 38 13.842 -6.347 -4.814 258 HG23 THR 38 2HG2 THR 38 12.103 -6.414 -4.477 259 H LEU 39 H LEU 39 10.785 -5.391 -2.728 260 HA LEU 39 HA LEU 39 11.539 -4.012 -0.253 261 HB3 LEU 39 2HB LEU 39 8.823 -5.131 -0.107 262 HG LEU 39 HG LEU 39 9.429 -3.652 1.663 263 HD11 LEU 39 1HD1 LEU 39 10.047 -1.605 -0.531 264 HD12 LEU 39 2HD1 LEU 39 11.167 -2.217 0.706 265 HD13 LEU 39 3HD1 LEU 39 9.847 -1.176 1.172 266 HD21 LEU 39 3HD2 LEU 39 7.616 -1.979 -0.068 267 HD22 LEU 39 1HD2 LEU 39 7.596 -2.190 1.686 268 HD23 LEU 39 2HD2 LEU 39 7.078 -3.527 0.653 269 H GLY 40 H GLY 40 12.720 -5.430 0.732 270 HA2 GLY 40 1HA GLY 40 12.532 -8.313 0.298 271 HA3 GLY 40 2HA GLY 40 13.658 -7.406 1.339 272 H SER 41 H SER 41 12.813 -9.549 2.634 273 HA SER 41 HA SER 41 10.221 -9.585 3.736 274 HB3 SER 41 2HB SER 41 11.088 -11.162 5.293 275 HG SER 41 HG SER 41 13.016 -12.026 3.997 276 H HIS 42 H HIS 42 9.251 -8.331 5.261 277 HA HIS 42 HA HIS 42 8.824 -6.792 6.773 278 HB3 HIS 42 2HB HIS 42 10.973 -6.360 8.439 279 HD1 HIS 42 1HD HIS 42 9.512 -6.367 10.507 280 HD2 HIS 42 2HD HIS 42 8.912 -9.673 7.973 281 HE1 HIS 42 1HE HIS 42 7.618 -7.754 11.564 282 H ASP 43 H ASP 43 10.880 -6.067 4.272 283 HA ASP 43 HA ASP 43 11.945 -3.617 5.251 284 HB3 ASP 43 2HB ASP 43 11.397 -3.761 2.328 285 H SER 44 H SER 44 11.461 -1.622 3.886 286 HA SER 44 HA SER 44 8.697 -1.125 3.358 287 HB3 SER 44 2HB SER 44 8.409 -1.177 5.740 288 HG SER 44 HG SER 44 9.596 -0.220 7.103 289 H ILE 45 H ILE 45 8.116 1.097 2.866 290 HA ILE 45 HA ILE 45 10.212 2.968 2.051 291 HB ILE 45 HB ILE 45 10.192 1.302 0.217 292 HG13 ILE 45 2HG1 ILE 45 8.892 3.951 -0.465 293 HG21 ILE 45 1HG2 ILE 45 7.943 0.297 0.635 294 HG22 ILE 45 2HG2 ILE 45 7.206 1.762 -0.050 295 HG23 ILE 45 3HG2 ILE 45 8.206 0.718 -1.054 296 HD11 ILE 45 3HD1 ILE 45 11.373 3.805 -0.017 297 HD12 ILE 45 1HD1 ILE 45 11.473 2.625 -1.359 298 HD13 ILE 45 2HD1 ILE 45 10.966 4.301 -1.678 299 H ASP 46 H ASP 46 9.309 4.952 1.639 300 HA ASP 46 HA ASP 46 6.427 5.209 1.839 301 HB3 ASP 46 2HB ASP 46 6.456 6.138 3.844 302 H PHE 47 H PHE 47 5.624 6.775 0.734 303 HA PHE 47 HA PHE 47 7.340 8.660 -0.795 304 HB3 PHE 47 2HB PHE 47 7.328 7.032 -2.470 305 HD1 PHE 47 1HD PHE 47 6.975 4.845 -1.364 306 HD2 PHE 47 2HD PHE 47 3.747 7.112 -3.092 307 HE1 PHE 47 1HE PHE 47 5.506 2.852 -1.197 308 HE2 PHE 47 2HE PHE 47 2.305 5.088 -3.032 309 HZ PHE 47 HZ PHE 47 3.164 2.998 -1.974 310 H SER 48 H SER 48 6.338 10.559 -1.333 311 HA SER 48 HA SER 48 3.829 11.249 -0.068 312 HB3 SER 48 2HB SER 48 5.632 12.759 -2.001 313 HG SER 48 HG SER 48 3.709 13.810 -2.094 314 H SER 49 H SER 49 1.946 10.964 -0.810 315 HA SER 49 HA SER 49 1.341 9.981 -3.492 316 HB3 SER 49 2HB SER 49 -0.066 8.871 -2.167 317 HG SER 49 HG SER 49 -0.495 10.774 -0.225 318 H ASP 50 H ASP 50 0.511 11.181 -5.039 319 HA ASP 50 HA ASP 50 0.872 13.985 -4.875 320 HB3 ASP 50 2HB ASP 50 -0.222 12.388 -7.202 321 H ALA 51 H ALA 51 -1.457 13.336 -3.290 322 HA ALA 51 HA ALA 51 -3.373 15.150 -4.520 323 HB1 ALA 51 1HB ALA 51 -5.313 13.648 -4.113 324 HB2 ALA 51 2HB ALA 51 -4.211 12.972 -5.335 325 HB3 ALA 51 3HB ALA 51 -4.212 12.326 -3.689 326 H GLY 52 H GLY 52 -4.455 16.319 -2.804 327 HA2 GLY 52 1HA GLY 52 -2.992 16.223 -0.326 328 HA3 GLY 52 2HA GLY 52 -4.342 17.292 -0.699 329 H SER 53 H SER 53 -5.691 14.390 -1.365 330 HA SER 53 HA SER 53 -6.128 13.380 1.337 331 HB3 SER 53 2HB SER 53 -7.734 15.113 1.316 332 HG SER 53 HG SER 53 -9.171 15.491 -0.290 333 H VAL 54 H VAL 54 -7.371 11.338 1.233 334 HA VAL 54 HA VAL 54 -8.087 10.148 -1.226 335 HB VAL 54 HB VAL 54 -5.887 9.612 -1.454 336 HG11 VAL 54 1HG1 VAL 54 -4.325 8.619 0.090 337 HG12 VAL 54 2HG1 VAL 54 -4.870 10.184 0.624 338 HG13 VAL 54 3HG1 VAL 54 -5.529 8.737 1.425 339 HG21 VAL 54 3HG2 VAL 54 -5.701 7.166 -1.185 340 HG22 VAL 54 1HG2 VAL 54 -6.919 7.172 0.070 341 HG23 VAL 54 2HG2 VAL 54 -7.356 7.579 -1.617 342 H TYR 55 H TYR 55 -9.274 8.201 -0.856 343 HA TYR 55 HA TYR 55 -9.944 7.413 1.891 344 HB3 TYR 55 2HB TYR 55 -11.628 8.821 1.698 345 HD1 TYR 55 2HD TYR 55 -11.726 7.079 -1.694 346 HD2 TYR 55 1HD TYR 55 -12.532 10.680 0.546 347 HE1 TYR 55 2HE TYR 55 -12.192 8.268 -3.790 348 HE2 TYR 55 1HE TYR 55 -13.084 11.857 -1.559 349 HH TYR 55 HH TYR 55 -13.223 10.223 -4.673 350 H LYS 56 H LYS 56 -8.639 6.312 -0.906 351 HA LYS 56 HA LYS 56 -9.869 3.662 -0.745 352 HB3 LYS 56 2HB LYS 56 -11.093 4.753 -2.576 353 HG3 LYS 56 2HG LYS 56 -8.403 5.099 -3.997 354 HD3 LYS 56 2HD LYS 56 -9.877 6.648 -5.431 355 HE3 LYS 56 2HE LYS 56 -8.910 4.415 -6.252 356 HZ1 LYS 56 3HZ LYS 56 -10.255 2.739 -5.397 357 HZ2 LYS 56 1HZ LYS 56 -10.783 2.939 -6.910 358 HZ3 LYS 56 2HZ LYS 56 -11.696 3.588 -5.735 359 H MET 57 H MET 57 -8.389 2.009 -1.513 360 HA MET 57 HA MET 57 -5.889 2.974 -2.640 361 HB3 MET 57 2HB MET 57 -5.900 1.560 0.067 362 HG3 MET 57 2HG MET 57 -3.819 1.680 -2.084 363 HE1 MET 57 3HE MET 57 -1.596 4.238 -0.354 364 HE2 MET 57 1HE MET 57 -2.130 3.579 -1.908 365 HE3 MET 57 2HE MET 57 -3.308 4.330 -0.801 366 H ASP 58 H ASP 58 -5.459 1.608 -4.267 367 HA ASP 58 HA ASP 58 -6.794 -1.079 -4.277 368 HB3 ASP 58 2HB ASP 58 -7.122 -0.612 -6.723 369 H VAL 59 H VAL 59 -4.847 -1.838 -3.497 370 HA VAL 59 HA VAL 59 -2.347 -1.489 -4.927 371 HB VAL 59 HB VAL 59 -2.861 -3.559 -2.767 372 HG11 VAL 59 1HG1 VAL 59 -0.496 -2.912 -2.181 373 HG12 VAL 59 2HG1 VAL 59 -0.683 -3.600 -3.798 374 HG13 VAL 59 3HG1 VAL 59 -0.485 -1.839 -3.601 375 HG21 VAL 59 3HG2 VAL 59 -2.538 -0.596 -2.257 376 HG22 VAL 59 1HG2 VAL 59 -3.861 -1.657 -1.730 377 HG23 VAL 59 2HG2 VAL 59 -2.259 -1.857 -1.039 378 H THR 60 H THR 60 -1.124 -3.166 -6.037 379 HA THR 60 HA THR 60 -2.155 -5.835 -6.145 380 HB THR 60 HB THR 60 -3.593 -5.118 -7.801 381 HG1 THR 60 1HG THR 60 -2.454 -6.890 -8.493 382 HG21 THR 60 3HG2 THR 60 -2.798 -2.881 -8.200 383 HG22 THR 60 1HG2 THR 60 -3.279 -3.763 -9.647 384 HG23 THR 60 2HG2 THR 60 -1.538 -3.562 -9.289 385 H GLY 61 H GLY 61 -0.476 -7.261 -6.470 386 HA2 GLY 61 1HA GLY 61 1.967 -6.412 -7.805 387 HA3 GLY 61 2HA GLY 61 2.143 -6.590 -6.055 388 H THR 62 H THR 62 3.780 -8.240 -7.030 389 HA THR 62 HA THR 62 2.520 -10.857 -7.364 390 HB THR 62 HB THR 62 5.003 -9.974 -8.800 391 HG1 THR 62 1HG THR 62 3.962 -9.367 -10.554 392 HG21 THR 62 3HG2 THR 62 4.567 -12.309 -8.675 393 HG22 THR 62 1HG2 THR 62 4.440 -11.770 -10.351 394 HG23 THR 62 2HG2 THR 62 2.956 -12.129 -9.415 395 H THR 63 H THR 63 3.729 -12.544 -6.056 396 HA THR 63 HA THR 63 5.742 -11.383 -4.222 397 HB THR 63 HB THR 63 5.612 -13.144 -2.920 398 HG1 THR 63 1HG THR 63 4.866 -15.168 -4.633 399 HG21 THR 63 3HG2 THR 63 3.339 -14.379 -3.152 400 HG22 THR 63 1HG2 THR 63 2.980 -13.221 -4.419 401 HG23 THR 63 2HG2 THR 63 3.351 -12.624 -2.798 402 H GLN 64 H GLN 64 7.661 -12.849 -3.735 403 HA GLN 64 HA GLN 64 9.710 -12.789 -5.582 404 HB3 GLN 64 2HB GLN 64 9.289 -14.813 -3.426 405 HG3 GLN 64 2HG GLN 64 11.949 -13.637 -3.865 406 HE21 GLN 64 1HE2 GLN 64 10.762 -15.416 -1.888 407 HE22 GLN 64 2HE2 GLN 64 11.239 -17.028 -2.276 408 H SER 65 H SER 65 7.344 -15.349 -4.890 409 HA SER 65 HA SER 65 8.441 -17.207 -6.878 410 HB3 SER 65 2HB SER 65 6.004 -18.273 -6.015 411 HG SER 65 HG SER 65 7.356 -19.589 -4.882 412 H GLY 66 H GLY 66 6.436 -14.504 -7.270 413 HA2 GLY 66 1HA GLY 66 5.733 -13.911 -9.443 414 HA3 GLY 66 2HA GLY 66 5.741 -15.568 -9.931 415 H GLU 67 H GLU 67 3.992 -15.380 -6.930 416 HA GLU 67 HA GLU 67 1.486 -15.669 -8.388 417 HB3 GLU 67 2HB GLU 67 2.305 -17.086 -6.354 418 HG3 GLU 67 2HG GLU 67 0.496 -15.104 -4.987 419 H LYS 68 H LYS 68 -0.392 -14.377 -7.984 420 HA LYS 68 HA LYS 68 0.442 -11.531 -7.670 421 HB3 LYS 68 2HB LYS 68 -1.595 -13.023 -9.332 422 HG3 LYS 68 2HG LYS 68 -1.524 -10.091 -8.680 423 HD3 LYS 68 2HD LYS 68 -2.248 -11.398 -11.338 424 HE3 LYS 68 2HE LYS 68 -3.010 -8.850 -11.673 425 HZ1 LYS 68 3HZ LYS 68 -4.527 -10.600 -12.101 426 HZ2 LYS 68 1HZ LYS 68 -5.264 -9.512 -11.141 427 HZ3 LYS 68 2HZ LYS 68 -4.741 -10.943 -10.510 428 H PHE 69 H PHE 69 -0.544 -10.185 -6.346 429 HA PHE 69 HA PHE 69 -2.828 -11.062 -4.658 430 HB3 PHE 69 2HB PHE 69 -0.742 -11.417 -3.443 431 HD1 PHE 69 1HD PHE 69 -0.932 -7.727 -3.166 432 HD2 PHE 69 2HD PHE 69 1.558 -11.080 -4.262 433 HE1 PHE 69 1HE PHE 69 1.055 -6.245 -3.153 434 HE2 PHE 69 2HE PHE 69 3.553 -9.573 -4.145 435 HZ PHE 69 HZ PHE 69 3.305 -7.193 -3.574 436 H THR 70 H THR 70 -3.991 -9.202 -3.715 437 HA THR 70 HA THR 70 -3.525 -6.519 -4.800 438 HB THR 70 HB THR 70 -5.943 -6.320 -5.448 439 HG1 THR 70 1HG THR 70 -6.325 -8.530 -4.478 440 HG21 THR 70 3HG2 THR 70 -5.663 -7.851 -7.690 441 HG22 THR 70 1HG2 THR 70 -3.980 -7.466 -7.256 442 HG23 THR 70 2HG2 THR 70 -5.238 -6.191 -7.461 443 H GLY 71 H GLY 71 -4.743 -4.933 -3.742 444 HA2 GLY 71 1HA GLY 71 -5.657 -5.685 -0.988 445 HA3 GLY 71 2HA GLY 71 -5.278 -4.068 -1.544 446 H HIS 72 H HIS 72 -6.825 -3.175 -3.190 447 HA HIS 72 HA HIS 72 -8.757 -2.136 -3.473 448 HB3 HIS 72 2HB HIS 72 -10.719 -3.420 -4.045 449 HD1 HIS 72 1HD HIS 72 -8.762 -2.381 -5.960 450 HD2 HIS 72 2HD HIS 72 -9.220 -6.493 -5.143 451 HE1 HIS 72 1HE HIS 72 -7.791 -3.621 -7.942 452 H PHE 73 H PHE 73 -8.615 -0.876 -1.606 453 HA PHE 73 HA PHE 73 -10.343 -1.656 0.679 454 HB3 PHE 73 2HB PHE 73 -8.922 -0.166 1.998 455 HD1 PHE 73 1HD PHE 73 -8.958 -2.655 2.701 456 HD2 PHE 73 2HD PHE 73 -5.999 -0.911 0.095 457 HE1 PHE 73 1HE PHE 73 -7.299 -4.355 3.437 458 HE2 PHE 73 2HE PHE 73 -4.344 -2.607 0.843 459 HZ PHE 73 HZ PHE 73 -5.000 -4.245 2.616 460 H LYS 74 H LYS 74 -11.482 0.159 1.667 461 HA LYS 74 HA LYS 74 -11.472 2.686 0.249 462 HB3 LYS 74 2HB LYS 74 -14.231 1.517 0.365 463 HG3 LYS 74 2HG LYS 74 -12.532 3.092 -1.621 464 HD3 LYS 74 2HD LYS 74 -14.975 3.415 -2.627 465 HE3 LYS 74 2HE LYS 74 -13.407 0.864 -3.234 466 HZ1 LYS 74 3HZ LYS 74 -15.301 1.170 -4.597 467 HZ2 LYS 74 1HZ LYS 74 -13.980 1.568 -5.494 468 HZ3 LYS 74 2HZ LYS 74 -14.947 2.765 -4.907 469 H GLY 75 H GLY 75 -13.109 4.209 1.187 470 HA2 GLY 75 1HA GLY 75 -14.063 5.296 2.943 471 HA3 GLY 75 2HA GLY 75 -14.280 3.733 3.756 472 H LEU 76 H LEU 76 -11.159 5.004 2.695 473 HA LEU 76 HA LEU 76 -9.932 4.605 5.311 474 HB3 LEU 76 2HB LEU 76 -7.925 5.477 4.206 475 HG LEU 76 HG LEU 76 -9.394 3.700 2.196 476 HD11 LEU 76 1HD1 LEU 76 -6.424 4.107 2.678 477 HD12 LEU 76 2HD1 LEU 76 -7.345 4.804 1.333 478 HD13 LEU 76 3HD1 LEU 76 -7.166 3.042 1.464 479 HD21 LEU 76 3HD2 LEU 76 -7.628 2.847 4.524 480 HD22 LEU 76 1HD2 LEU 76 -8.255 1.776 3.250 481 HD23 LEU 76 2HD2 LEU 76 -9.373 2.553 4.370 482 H VAL 77 H VAL 77 -8.587 6.418 6.307 483 HA VAL 77 HA VAL 77 -9.527 9.160 5.996 484 HB VAL 77 HB VAL 77 -9.857 9.311 8.521 485 HG11 VAL 77 1HG1 VAL 77 -12.172 8.690 8.519 486 HG12 VAL 77 2HG1 VAL 77 -11.738 9.415 6.967 487 HG13 VAL 77 3HG1 VAL 77 -11.958 7.642 7.099 488 HG21 VAL 77 3HG2 VAL 77 -10.167 6.271 8.354 489 HG22 VAL 77 1HG2 VAL 77 -8.894 7.189 9.182 490 HG23 VAL 77 2HG2 VAL 77 -10.552 7.310 9.751 491 H GLY 78 H GLY 78 -8.129 10.637 7.165 492 HA2 GLY 78 1HA GLY 78 -6.297 11.366 8.325 493 HA3 GLY 78 2HA GLY 78 -5.761 9.695 8.591 494 H LYS 79 H LYS 79 -4.148 11.983 7.760 495 HA LYS 79 HA LYS 79 -3.950 11.857 4.930 496 HB3 LYS 79 2HB LYS 79 -1.906 13.547 6.283 497 HG3 LYS 79 2HG LYS 79 -4.142 13.834 4.251 498 HD3 LYS 79 2HD LYS 79 -4.164 15.858 5.875 499 HE3 LYS 79 2HE LYS 79 -1.809 16.516 4.054 500 HZ1 LYS 79 3HZ LYS 79 -3.464 18.282 4.494 501 HZ2 LYS 79 1HZ LYS 79 -1.953 18.678 5.077 502 HZ3 LYS 79 2HZ LYS 79 -3.171 18.196 6.075 503 H ASP 80 H ASP 80 -3.068 9.446 6.286 504 HA ASP 80 HA ASP 80 -0.503 9.013 4.916 505 HB3 ASP 80 2HB ASP 80 -1.131 7.985 7.659 506 H THR 81 H THR 81 -0.235 6.743 4.510 507 HA THR 81 HA THR 81 -2.614 5.003 4.734 508 HB THR 81 HB THR 81 -1.548 4.908 1.982 509 HG1 THR 81 1HG THR 81 -1.519 7.227 2.424 510 HG21 THR 81 3HG2 THR 81 -4.327 5.286 3.158 511 HG22 THR 81 1HG2 THR 81 -3.575 3.728 2.742 512 HG23 THR 81 2HG2 THR 81 -3.964 4.899 1.465 513 H ARG 82 H ARG 82 -1.547 3.499 6.021 514 HA ARG 82 HA ARG 82 1.055 2.426 5.035 515 HB3 ARG 82 2HB ARG 82 1.083 1.061 7.078 516 HG3 ARG 82 2HG ARG 82 0.393 3.841 8.011 517 HD3 ARG 82 2HD ARG 82 2.684 1.979 8.776 518 HE ARG 82 HE ARG 82 2.226 4.685 9.341 519 HH11 ARG 82 1HH1 ARG 82 2.897 1.740 11.282 520 HH12 ARG 82 2HH1 ARG 82 2.771 2.596 12.779 521 HH21 ARG 82 1HH2 ARG 82 2.766 5.784 11.149 522 HH22 ARG 82 2HH2 ARG 82 3.177 5.006 12.660 523 H VAL 83 H VAL 83 1.274 0.175 4.735 524 HA VAL 83 HA VAL 83 -1.146 -1.404 4.083 525 HB VAL 83 HB VAL 83 1.239 -0.826 2.319 526 HG11 VAL 83 1HG1 VAL 83 0.426 -3.123 1.947 527 HG12 VAL 83 2HG1 VAL 83 -1.241 -2.524 1.775 528 HG13 VAL 83 3HG1 VAL 83 -0.019 -2.115 0.566 529 HG21 VAL 83 3HG2 VAL 83 -0.229 1.090 2.215 530 HG22 VAL 83 1HG2 VAL 83 -0.430 0.167 0.737 531 HG23 VAL 83 2HG2 VAL 83 -1.655 0.048 2.023 532 H PHE 84 H PHE 84 -0.929 -3.122 5.545 533 HA PHE 84 HA PHE 84 1.815 -4.033 6.309 534 HB3 PHE 84 2HB PHE 84 0.575 -5.292 8.075 535 HD1 PHE 84 1HD PHE 84 1.901 -2.262 7.512 536 HD2 PHE 84 2HD PHE 84 -1.073 -4.027 10.050 537 HE1 PHE 84 1HE PHE 84 2.198 -0.413 9.127 538 HE2 PHE 84 2HE PHE 84 -0.747 -2.229 11.691 539 HZ PHE 84 HZ PHE 84 0.879 -0.389 11.244 540 H ILE 85 H ILE 85 2.423 -5.364 4.614 541 HA ILE 85 HA ILE 85 0.497 -7.179 3.338 542 HB ILE 85 HB ILE 85 3.539 -7.104 3.154 543 HG13 ILE 85 2HG1 ILE 85 2.590 -4.892 2.485 544 HG21 ILE 85 1HG2 ILE 85 2.257 -9.177 2.360 545 HG22 ILE 85 2HG2 ILE 85 1.505 -8.147 1.140 546 HG23 ILE 85 3HG2 ILE 85 3.292 -8.394 1.185 547 HD11 ILE 85 3HD1 ILE 85 4.495 -5.834 1.117 548 HD12 ILE 85 1HD1 ILE 85 3.279 -6.372 -0.069 549 HD13 ILE 85 2HD1 ILE 85 3.467 -4.654 0.296 550 H GLU 86 H GLU 86 -0.076 -9.116 4.301 551 HA GLU 86 HA GLU 86 1.748 -10.603 5.982 552 HB3 GLU 86 2HB GLU 86 0.178 -10.827 7.872 553 HG3 GLU 86 2HG GLU 86 0.881 -7.918 7.409 554 H LEU 87 H LEU 87 0.144 -12.643 6.757 555 HA LEU 87 HA LEU 87 -1.238 -13.553 4.255 556 HB3 LEU 87 2HB LEU 87 -0.415 -15.732 4.427 557 HG LEU 87 HG LEU 87 2.013 -14.062 5.124 558 HD11 LEU 87 1HD1 LEU 87 3.360 -15.879 4.286 559 HD12 LEU 87 2HD1 LEU 87 1.920 -16.829 3.876 560 HD13 LEU 87 3HD1 LEU 87 2.327 -16.489 5.576 561 HD21 LEU 87 3HD2 LEU 87 2.463 -14.217 2.661 562 HD22 LEU 87 1HD2 LEU 87 0.948 -13.361 3.002 563 HD23 LEU 87 2HD2 LEU 87 0.909 -15.053 2.451 564 H ASP 88 H ASP 88 -3.014 -15.090 4.621 565 HA ASP 88 HA ASP 88 -3.702 -15.802 7.312 566 HB3 ASP 88 2HB ASP 88 -5.832 -14.117 5.983 567 H GLU 89 H GLU 89 -6.183 -16.696 7.135 568 HA GLU 89 HA GLU 89 -7.489 -18.367 6.667 569 HB3 GLU 89 2HB GLU 89 -8.210 -18.980 4.488 570 HG3 GLU 89 2HG GLU 89 -8.810 -16.906 3.368 571 H ASN 90 H ASN 90 -4.913 -18.888 4.313 572 HA ASN 90 HA ASN 90 -4.368 -21.594 5.415 573 HB3 ASN 90 2HB ASN 90 -5.930 -21.609 3.388 574 HD21 ASN 90 1HD2 ASN 90 -6.116 -19.802 1.823 575 HD22 ASN 90 2HD2 ASN 90 -4.890 -19.656 0.569 576 H ALA 91 H ALA 91 -3.098 -18.646 4.729 577 HA ALA 91 HA ALA 91 -1.075 -17.746 4.481 578 HB1 ALA 91 1HB ALA 91 0.138 -19.608 5.576 579 HB2 ALA 91 2HB ALA 91 0.219 -20.434 3.993 580 HB3 ALA 91 3HB ALA 91 1.018 -18.879 4.226 581 H ASP 92 H ASP 92 -2.840 -17.375 2.768 582 HA ASP 92 HA ASP 92 -1.464 -17.487 0.146 583 HB3 ASP 92 2HB ASP 92 -3.942 -16.151 -0.079 584 H VAL 93 H VAL 93 -1.657 -15.280 -0.763 585 HA VAL 93 HA VAL 93 -0.480 -13.563 1.293 586 HB VAL 93 HB VAL 93 -0.544 -13.178 -1.730 587 HG11 VAL 93 1HG1 VAL 93 1.364 -11.621 -1.285 588 HG12 VAL 93 2HG1 VAL 93 -0.170 -11.032 -0.626 589 HG13 VAL 93 3HG1 VAL 93 1.022 -11.757 0.467 590 HG21 VAL 93 3HG2 VAL 93 1.434 -14.484 0.179 591 HG22 VAL 93 1HG2 VAL 93 0.693 -15.166 -1.265 592 HG23 VAL 93 2HG2 VAL 93 1.923 -13.909 -1.417 593 H GLN 94 H GLN 94 -1.453 -11.949 2.381 594 HA GLN 94 HA GLN 94 -3.993 -10.896 1.269 595 HB3 GLN 94 2HB GLN 94 -4.732 -10.554 3.552 596 HG3 GLN 94 2HG GLN 94 -5.060 -12.748 4.338 597 HE21 GLN 94 1HE2 GLN 94 -3.833 -14.460 1.744 598 HE22 GLN 94 2HE2 GLN 94 -5.222 -14.326 0.654 599 H VAL 95 H VAL 95 -4.540 -8.801 2.390 600 HA VAL 95 HA VAL 95 -2.226 -6.972 2.480 601 HB VAL 95 HB VAL 95 -4.709 -6.361 0.830 602 HG11 VAL 95 1HG1 VAL 95 -3.204 -4.439 1.593 603 HG12 VAL 95 2HG1 VAL 95 -1.889 -5.190 0.710 604 HG13 VAL 95 3HG1 VAL 95 -3.331 -4.615 -0.161 605 HG21 VAL 95 3HG2 VAL 95 -2.034 -7.543 -0.002 606 HG22 VAL 95 1HG2 VAL 95 -3.637 -8.264 -0.258 607 HG23 VAL 95 2HG2 VAL 95 -3.213 -6.825 -1.156 608 H PHE 96 H PHE 96 -2.398 -6.570 4.506 609 HA PHE 96 HA PHE 96 -5.051 -5.887 5.756 610 HB3 PHE 96 2HB PHE 96 -2.380 -6.430 7.119 611 HD1 PHE 96 2HD PHE 96 -6.054 -7.220 7.584 612 HD2 PHE 96 1HD PHE 96 -2.491 -5.422 9.248 613 HE1 PHE 96 2HE PHE 96 -7.332 -6.532 9.589 614 HE2 PHE 96 1HE PHE 96 -3.810 -4.691 11.244 615 HZ PHE 96 HZ PHE 96 -6.226 -5.244 11.416 616 H ILE 97 H ILE 97 -5.017 -4.058 7.377 617 HA ILE 97 HA ILE 97 -2.980 -2.067 6.946 618 HB ILE 97 HB ILE 97 -4.842 -0.316 6.419 619 HG13 ILE 97 2HG1 ILE 97 -6.769 -1.966 6.574 620 HG21 ILE 97 1HG2 ILE 97 -4.094 -2.078 4.069 621 HG22 ILE 97 2HG2 ILE 97 -4.253 -0.308 4.147 622 HG23 ILE 97 3HG2 ILE 97 -2.925 -1.106 4.970 623 HD11 ILE 97 3HD1 ILE 97 -7.976 -1.088 4.649 624 HD12 ILE 97 1HD1 ILE 97 -6.897 0.208 5.225 625 HD13 ILE 97 2HD1 ILE 97 -6.461 -0.758 3.790 626 HA PRO 98 HA PRO 98 -4.498 -0.997 10.992 627 HB3 PRO 98 2HB PRO 98 -2.314 -0.367 11.470 628 HG3 PRO 98 2HG PRO 98 -0.947 0.709 9.822 629 HD3 PRO 98 2HD PRO 98 -1.671 -1.213 8.678 630 H GLN 99 H GLN 99 -6.519 -0.113 11.200 631 HA GLN 99 HA GLN 99 -7.108 2.597 10.315 632 HB3 GLN 99 2HB GLN 99 -9.326 1.824 9.543 633 HG3 GLN 99 2HG GLN 99 -8.786 0.543 7.465 634 HE21 GLN 99 1HE2 GLN 99 -5.875 2.477 7.806 635 HE22 GLN 99 2HE2 GLN 99 -6.470 3.849 6.882 636 H GLY 100 H GLY 100 -9.483 3.111 11.443 637 HA2 GLY 100 1HA GLY 100 -11.217 2.005 12.534 638 HA3 GLY 100 2HA GLY 100 -10.086 1.138 13.569 639 H GLU 101 H GLU 101 -8.542 3.723 13.940 640 HA GLU 101 HA GLU 101 -10.282 5.661 15.157 641 HB3 GLU 101 2HB GLU 101 -8.873 5.649 17.314 642 HG3 GLU 101 2HG GLU 101 -10.795 3.334 17.040 643 H ILE 102 H ILE 102 -9.240 6.579 13.141 644 HA ILE 102 HA ILE 102 -6.552 7.588 13.660 645 HB ILE 102 HB ILE 102 -6.116 7.087 11.164 646 HG13 ILE 102 2HG1 ILE 102 -8.535 5.980 10.989 647 HG21 ILE 102 1HG2 ILE 102 -4.951 4.994 11.729 648 HG22 ILE 102 2HG2 ILE 102 -4.791 6.167 13.034 649 HG23 ILE 102 3HG2 ILE 102 -5.932 4.817 13.208 650 HD11 ILE 102 3HD1 ILE 102 -7.822 4.562 9.186 651 HD12 ILE 102 1HD1 ILE 102 -6.869 6.049 9.144 652 HD13 ILE 102 2HD1 ILE 102 -6.134 4.560 9.771 653 H ASP 103 H ASP 103 -6.699 9.548 13.483 654 HA ASP 103 HA ASP 103 -7.263 11.697 13.132 655 HB3 ASP 103 2HB ASP 103 -7.638 10.864 10.245 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.911 26.283 12.311 2 HA2 GLY 1 1HA GLY 1 1.510 24.991 10.283 3 HA3 GLY 1 2HA GLY 1 0.161 26.102 10.596 4 H ALA 2 H ALA 2 1.800 24.944 8.136 5 HA ALA 2 HA ALA 2 2.349 27.265 6.461 6 HB1 ALA 2 1HB ALA 2 3.303 25.035 5.961 7 HB2 ALA 2 2HB ALA 2 1.659 24.348 5.835 8 HB3 ALA 2 3HB ALA 2 2.220 25.550 4.665 9 H GLN 3 H GLN 3 0.839 27.822 4.692 10 HA GLN 3 HA GLN 3 -2.019 27.807 5.478 11 HB3 GLN 3 2HB GLN 3 -2.047 28.971 3.073 12 HG3 GLN 3 2HG GLN 3 -2.743 30.235 4.935 13 HE21 GLN 3 1HE2 GLN 3 -2.540 30.164 7.128 14 HE22 GLN 3 2HE2 GLN 3 -1.065 30.381 8.044 15 H ASP 4 H ASP 4 -0.254 27.061 2.414 16 HA ASP 4 HA ASP 4 -1.844 24.576 2.113 17 HB3 ASP 4 2HB ASP 4 -1.987 26.927 0.190 18 H GLY 5 H GLY 5 0.887 24.785 2.504 19 HA2 GLY 5 1HA GLY 5 2.260 24.955 -0.093 20 HA3 GLY 5 2HA GLY 5 2.982 24.898 1.503 21 H LYS 6 H LYS 6 0.629 22.263 0.944 22 HA LYS 6 HA LYS 6 2.773 20.455 0.087 23 HB3 LYS 6 2HB LYS 6 1.608 19.849 2.806 24 HG3 LYS 6 2HG LYS 6 4.426 19.455 1.758 25 HD3 LYS 6 2HD LYS 6 2.814 17.622 3.574 26 HE3 LYS 6 2HE LYS 6 5.034 16.985 4.440 27 HZ1 LYS 6 3HZ LYS 6 5.869 15.833 2.570 28 HZ2 LYS 6 1HZ LYS 6 5.142 16.833 1.498 29 HZ3 LYS 6 2HZ LYS 6 4.232 15.809 2.424 30 H GLU 7 H GLU 7 0.434 20.877 -1.329 31 HA GLU 7 HA GLU 7 -1.716 19.130 -0.417 32 HB3 GLU 7 2HB GLU 7 -1.364 20.784 -2.897 33 HG3 GLU 7 2HG GLU 7 -3.270 19.252 -3.185 34 H THR 8 H THR 8 0.165 17.473 -0.529 35 HA THR 8 HA THR 8 -0.482 15.751 -2.817 36 HB THR 8 HB THR 8 1.906 14.794 -2.458 37 HG1 THR 8 1HG THR 8 2.464 17.433 -1.620 38 HG21 THR 8 3HG2 THR 8 2.930 16.340 -4.066 39 HG22 THR 8 1HG2 THR 8 1.596 17.499 -3.821 40 HG23 THR 8 2HG2 THR 8 1.283 15.908 -4.537 41 H THR 9 H THR 9 0.264 13.386 -2.108 42 HA THR 9 HA THR 9 -0.395 12.961 0.746 43 HB THR 9 HB THR 9 -0.869 10.549 -0.496 44 HG1 THR 9 1HG THR 9 -1.930 12.575 -2.190 45 HG21 THR 9 3HG2 THR 9 -2.865 12.838 -0.104 46 HG22 THR 9 1HG2 THR 9 -2.197 11.785 1.170 47 HG23 THR 9 2HG2 THR 9 -3.206 11.086 -0.052 48 H THR 10 H THR 10 0.534 10.580 1.341 49 HA THR 10 HA THR 10 3.173 10.165 0.249 50 HB THR 10 HB THR 10 2.963 10.928 3.196 51 HG1 THR 10 1HG THR 10 3.137 12.455 1.030 52 HG21 THR 10 3HG2 THR 10 4.773 9.311 2.667 53 HG22 THR 10 1HG2 THR 10 5.446 10.907 3.047 54 HG23 THR 10 2HG2 THR 10 5.353 10.365 1.361 55 H ILE 11 H ILE 11 2.834 8.119 -0.160 56 HA ILE 11 HA ILE 11 1.263 6.419 1.691 57 HB ILE 11 HB ILE 11 2.209 6.087 -1.179 58 HG13 ILE 11 2HG1 ILE 11 0.251 7.763 -0.625 59 HG21 ILE 11 1HG2 ILE 11 0.434 4.233 0.484 60 HG22 ILE 11 2HG2 ILE 11 0.702 4.082 -1.265 61 HG23 ILE 11 3HG2 ILE 11 2.051 3.882 -0.164 62 HD11 ILE 11 3HD1 ILE 11 -0.382 5.567 -2.617 63 HD12 ILE 11 1HD1 ILE 11 -0.906 7.267 -2.612 64 HD13 ILE 11 2HD1 ILE 11 0.795 6.873 -2.898 65 H ARG 12 H ARG 12 2.262 4.418 2.367 66 HA ARG 12 HA ARG 12 5.109 4.059 1.775 67 HB3 ARG 12 2HB ARG 12 4.061 3.811 4.603 68 HG3 ARG 12 2HG ARG 12 6.980 4.168 3.973 69 HD3 ARG 12 2HD ARG 12 7.166 2.314 5.668 70 HE ARG 12 HE ARG 12 6.293 4.961 6.208 71 HH11 ARG 12 1HH1 ARG 12 7.121 1.883 7.908 72 HH12 ARG 12 2HH1 ARG 12 7.114 2.606 9.453 73 HH21 ARG 12 1HH2 ARG 12 6.582 5.923 8.259 74 HH22 ARG 12 2HH2 ARG 12 7.234 4.963 9.529 75 H LEU 13 H LEU 13 5.495 2.015 1.273 76 HA LEU 13 HA LEU 13 3.421 -0.074 1.844 77 HB3 LEU 13 2HB LEU 13 4.910 -1.309 0.030 78 HG LEU 13 HG LEU 13 3.775 -0.120 -1.926 79 HD11 LEU 13 1HD1 LEU 13 2.924 -2.172 -0.964 80 HD12 LEU 13 2HD1 LEU 13 1.564 -1.103 -1.409 81 HD13 LEU 13 3HD1 LEU 13 2.084 -1.282 0.290 82 HD21 LEU 13 3HD2 LEU 13 1.892 1.329 -1.506 83 HD22 LEU 13 1HD2 LEU 13 3.331 2.051 -0.753 84 HD23 LEU 13 2HD2 LEU 13 2.122 1.234 0.247 85 H ILE 14 H ILE 14 4.013 -1.629 3.330 86 HA ILE 14 HA ILE 14 6.913 -1.886 3.997 87 HB ILE 14 HB ILE 14 4.594 -2.344 5.910 88 HG13 ILE 14 2HG1 ILE 14 6.128 0.211 5.368 89 HG21 ILE 14 1HG2 ILE 14 6.833 -3.450 6.298 90 HG22 ILE 14 2HG2 ILE 14 7.551 -1.849 6.430 91 HG23 ILE 14 3HG2 ILE 14 6.305 -2.366 7.585 92 HD11 ILE 14 3HD1 ILE 14 3.850 0.476 4.665 93 HD12 ILE 14 1HD1 ILE 14 3.238 -0.494 6.014 94 HD13 ILE 14 2HD1 ILE 14 3.857 1.112 6.320 95 H ASN 15 H ASN 15 7.724 -3.909 3.837 96 HA ASN 15 HA ASN 15 5.913 -6.045 2.890 97 HB3 ASN 15 2HB ASN 15 8.927 -6.065 2.863 98 HD21 ASN 15 1HD2 ASN 15 9.680 -7.796 1.693 99 HD22 ASN 15 2HD2 ASN 15 8.672 -9.055 1.008 100 H GLN 16 H GLN 16 5.120 -6.337 5.250 101 HA GLN 16 HA GLN 16 7.152 -7.225 7.156 102 HB3 GLN 16 2HB GLN 16 5.463 -7.085 8.812 103 HG3 GLN 16 2HG GLN 16 4.867 -4.804 6.864 104 HE21 GLN 16 1HE2 GLN 16 2.889 -4.343 7.847 105 HE22 GLN 16 2HE2 GLN 16 2.756 -3.840 9.503 106 H THR 17 H THR 17 7.196 -9.022 5.076 107 HA THR 17 HA THR 17 5.682 -11.423 5.970 108 HB THR 17 HB THR 17 5.541 -11.817 3.406 109 HG1 THR 17 1HG THR 17 5.609 -9.782 2.244 110 HG21 THR 17 3HG2 THR 17 3.504 -10.605 3.222 111 HG22 THR 17 1HG2 THR 17 4.006 -9.454 4.488 112 HG23 THR 17 2HG2 THR 17 3.647 -11.155 4.890 113 H TYR 18 H TYR 18 6.423 -13.275 4.539 114 HA TYR 18 HA TYR 18 9.295 -13.670 5.075 115 HB3 TYR 18 2HB TYR 18 7.840 -15.121 6.232 116 HD1 TYR 18 2HD TYR 18 6.372 -14.921 2.891 117 HD2 TYR 18 1HD TYR 18 6.816 -17.453 6.354 118 HE1 TYR 18 2HE TYR 18 4.377 -16.211 2.206 119 HE2 TYR 18 1HE TYR 18 4.818 -18.733 5.673 120 HH TYR 18 HH TYR 18 2.496 -17.781 3.647 121 H PHE 19 H PHE 19 8.263 -12.351 2.459 122 HA PHE 19 HA PHE 19 10.015 -13.943 0.740 123 HB3 PHE 19 2HB PHE 19 7.976 -14.924 0.068 124 HD1 PHE 19 1HD PHE 19 7.311 -11.249 -0.648 125 HD2 PHE 19 2HD PHE 19 5.714 -15.033 0.706 126 HE1 PHE 19 1HE PHE 19 5.168 -10.169 -0.064 127 HE2 PHE 19 2HE PHE 19 3.737 -13.912 1.482 128 HZ PHE 19 HZ PHE 19 3.401 -11.488 1.098 129 H ASN 20 H ASN 20 10.210 -12.618 -1.467 130 HA ASN 20 HA ASN 20 10.593 -9.718 -0.843 131 HB3 ASN 20 2HB ASN 20 11.790 -11.528 -2.989 132 HD21 ASN 20 1HD2 ASN 20 12.145 -10.341 -4.889 133 HD22 ASN 20 2HD2 ASN 20 12.535 -8.632 -4.870 134 H VAL 21 H VAL 21 9.796 -8.204 -2.507 135 HA VAL 21 HA VAL 21 7.929 -9.302 -4.544 136 HB VAL 21 HB VAL 21 6.290 -7.505 -3.972 137 HG11 VAL 21 1HG1 VAL 21 6.704 -9.537 -1.805 138 HG12 VAL 21 2HG1 VAL 21 5.239 -8.582 -2.045 139 HG13 VAL 21 3HG1 VAL 21 5.753 -9.703 -3.304 140 HG21 VAL 21 3HG2 VAL 21 7.954 -7.259 -1.406 141 HG22 VAL 21 1HG2 VAL 21 7.673 -5.997 -2.634 142 HG23 VAL 21 2HG2 VAL 21 6.353 -6.581 -1.596 143 H LYS 22 H LYS 22 7.932 -8.034 -6.437 144 HA LYS 22 HA LYS 22 9.979 -5.827 -6.623 145 HB3 LYS 22 2HB LYS 22 11.125 -7.836 -7.110 146 HG3 LYS 22 2HG LYS 22 10.192 -9.105 -9.314 147 HD3 LYS 22 2HD LYS 22 9.550 -9.693 -6.407 148 HE3 LYS 22 2HE LYS 22 7.800 -10.653 -8.118 149 HZ1 LYS 22 3HZ LYS 22 9.475 -11.629 -9.624 150 HZ2 LYS 22 1HZ LYS 22 8.562 -12.816 -8.927 151 HZ3 LYS 22 2HZ LYS 22 10.090 -12.515 -8.429 152 H ASN 23 H ASN 23 6.991 -5.817 -6.758 153 HA ASN 23 HA ASN 23 6.613 -4.280 -9.133 154 HB3 ASN 23 2HB ASN 23 6.750 -6.305 -10.398 155 HD21 ASN 23 1HD2 ASN 23 4.943 -7.032 -7.449 156 HD22 ASN 23 2HD2 ASN 23 5.377 -8.768 -7.426 157 H ILE 24 H ILE 24 5.894 -3.311 -6.710 158 HA ILE 24 HA ILE 24 3.118 -4.275 -6.180 159 HB ILE 24 HB ILE 24 4.435 -1.936 -4.801 160 HG13 ILE 24 2HG1 ILE 24 4.737 -3.521 -2.906 161 HG21 ILE 24 1HG2 ILE 24 1.981 -2.078 -4.686 162 HG22 ILE 24 2HG2 ILE 24 2.086 -3.766 -4.137 163 HG23 ILE 24 3HG2 ILE 24 2.695 -2.455 -3.130 164 HD11 ILE 24 3HD1 ILE 24 3.552 -5.469 -3.980 165 HD12 ILE 24 1HD1 ILE 24 5.050 -5.715 -4.915 166 HD13 ILE 24 2HD1 ILE 24 5.089 -5.744 -3.134 167 H LYS 25 H LYS 25 1.631 -3.550 -7.527 168 HA LYS 25 HA LYS 25 1.724 -0.828 -8.722 169 HB3 LYS 25 2HB LYS 25 -0.786 -2.374 -8.826 170 HG3 LYS 25 2HG LYS 25 -0.526 -2.184 -11.296 171 HD3 LYS 25 2HD LYS 25 -0.533 0.347 -11.477 172 HE3 LYS 25 2HE LYS 25 -2.522 0.675 -9.996 173 HZ1 LYS 25 3HZ LYS 25 -2.932 -0.084 -12.135 174 HZ2 LYS 25 1HZ LYS 25 -3.930 -0.930 -11.164 175 HZ3 LYS 25 2HZ LYS 25 -2.591 -1.661 -11.803 176 H VAL 26 H VAL 26 0.878 0.869 -7.509 177 HA VAL 26 HA VAL 26 -1.294 0.152 -5.652 178 HB VAL 26 HB VAL 26 0.886 0.737 -4.420 179 HG11 VAL 26 1HG1 VAL 26 1.518 2.814 -5.643 180 HG12 VAL 26 2HG1 VAL 26 0.008 3.566 -5.143 181 HG13 VAL 26 3HG1 VAL 26 1.186 3.121 -3.932 182 HG21 VAL 26 3HG2 VAL 26 -0.354 1.754 -2.624 183 HG22 VAL 26 1HG2 VAL 26 -1.616 2.328 -3.735 184 HG23 VAL 26 2HG2 VAL 26 -1.413 0.596 -3.456 185 H THR 27 H THR 27 -2.932 1.712 -5.624 186 HA THR 27 HA THR 27 -2.944 3.927 -7.562 187 HB THR 27 HB THR 27 -5.182 1.974 -6.967 188 HG1 THR 27 1HG THR 27 -4.499 0.617 -8.297 189 HG21 THR 27 3HG2 THR 27 -5.890 4.086 -7.939 190 HG22 THR 27 1HG2 THR 27 -6.145 2.758 -9.097 191 HG23 THR 27 2HG2 THR 27 -4.791 3.885 -9.303 192 H TRP 28 H TRP 28 -3.939 5.768 -6.583 193 HA TRP 28 HA TRP 28 -5.230 5.442 -3.892 194 HB3 TRP 28 2HB TRP 28 -2.892 5.905 -3.528 195 HD1 TRP 28 HD TRP 28 -3.435 9.543 -4.259 196 HE1 TRP 28 1HE TRP 28 -1.674 10.443 -5.843 197 HE3 TRP 28 3HE TRP 28 -1.439 5.116 -5.636 198 HZ2 TRP 28 2HZ TRP 28 0.345 9.310 -7.637 199 HZ3 TRP 28 3HZ TRP 28 0.365 4.999 -7.345 200 HH2 TRP 28 HH TRP 28 1.182 7.098 -8.441 201 H ASN 29 H ASN 29 -6.123 6.031 -6.657 202 HA ASN 29 HA ASN 29 -8.221 7.680 -5.910 203 HB3 ASN 29 2HB ASN 29 -7.105 9.101 -8.280 204 HD21 ASN 29 1HD2 ASN 29 -7.102 10.555 -5.074 205 HD22 ASN 29 2HD2 ASN 29 -8.600 11.404 -5.274 206 H ASP 30 H ASP 30 -9.211 8.220 -8.666 207 HA ASP 30 HA ASP 30 -9.869 5.441 -9.298 208 HB3 ASP 30 2HB ASP 30 -10.774 7.900 -10.796 209 H GLY 31 H GLY 31 -7.294 5.334 -9.727 210 HA2 GLY 31 1HA GLY 31 -6.181 4.225 -11.576 211 HA3 GLY 31 2HA GLY 31 -6.949 5.333 -12.709 212 H LYS 32 H LYS 32 -5.806 7.061 -9.908 213 HA LYS 32 HA LYS 32 -3.377 7.883 -11.268 214 HB3 LYS 32 2HB LYS 32 -4.663 8.593 -8.600 215 HG3 LYS 32 2HG LYS 32 -2.390 8.868 -8.329 216 HD3 LYS 32 2HD LYS 32 -1.417 8.742 -10.542 217 HE3 LYS 32 2HE LYS 32 -2.250 11.587 -11.127 218 HZ1 LYS 32 3HZ LYS 32 -1.920 10.914 -13.329 219 HZ2 LYS 32 1HZ LYS 32 -1.746 9.316 -12.954 220 HZ3 LYS 32 2HZ LYS 32 -0.596 10.409 -12.492 221 H GLU 33 H GLU 33 -1.711 6.416 -11.180 222 HA GLU 33 HA GLU 33 -1.385 4.635 -8.874 223 HB3 GLU 33 2HB GLU 33 -3.039 3.559 -10.344 224 HG3 GLU 33 2HG GLU 33 -0.900 3.341 -12.437 225 H GLN 34 H GLN 34 0.585 3.308 -9.067 226 HA GLN 34 HA GLN 34 2.581 3.835 -11.081 227 HB3 GLN 34 2HB GLN 34 2.815 5.885 -9.689 228 HG3 GLN 34 2HG GLN 34 2.729 4.246 -7.394 229 HE21 GLN 34 1HE2 GLN 34 4.393 2.911 -6.443 230 HE22 GLN 34 2HE2 GLN 34 6.081 3.268 -6.774 231 H THR 35 H THR 35 4.725 2.598 -10.467 232 HA THR 35 HA THR 35 4.056 0.348 -8.687 233 HB THR 35 HB THR 35 5.420 -1.119 -10.045 234 HG1 THR 35 1HG THR 35 5.218 0.943 -11.983 235 HG21 THR 35 3HG2 THR 35 3.751 -1.440 -11.896 236 HG22 THR 35 1HG2 THR 35 2.933 0.044 -11.361 237 HG23 THR 35 2HG2 THR 35 3.095 -1.360 -10.277 238 H VAL 36 H VAL 36 5.788 -0.405 -7.290 239 HA VAL 36 HA VAL 36 7.954 1.480 -6.943 240 HB VAL 36 HB VAL 36 8.369 0.308 -4.986 241 HG11 VAL 36 1HG1 VAL 36 6.394 1.851 -4.939 242 HG12 VAL 36 2HG1 VAL 36 5.345 0.424 -5.116 243 HG13 VAL 36 3HG1 VAL 36 6.365 0.599 -3.688 244 HG21 VAL 36 3HG2 VAL 36 6.472 -1.834 -5.783 245 HG22 VAL 36 1HG2 VAL 36 8.232 -1.961 -5.545 246 HG23 VAL 36 2HG2 VAL 36 7.198 -1.617 -4.152 247 H ASN 37 H ASN 37 10.147 0.578 -6.668 248 HA ASN 37 HA ASN 37 11.069 -1.282 -8.674 249 HB3 ASN 37 2HB ASN 37 12.193 0.465 -6.571 250 HD21 ASN 37 1HD2 ASN 37 13.399 -0.268 -4.869 251 HD22 ASN 37 2HD2 ASN 37 14.697 -1.384 -5.051 252 H THR 38 H THR 38 11.747 -1.894 -5.153 253 HA THR 38 HA THR 38 10.519 -4.527 -5.287 254 HB THR 38 HB THR 38 13.492 -4.024 -4.936 255 HG1 THR 38 1HG THR 38 13.320 -3.767 -7.016 256 HG21 THR 38 3HG2 THR 38 12.067 -6.671 -5.327 257 HG22 THR 38 1HG2 THR 38 12.795 -6.091 -3.808 258 HG23 THR 38 2HG2 THR 38 13.822 -6.425 -5.183 259 H LEU 39 H LEU 39 10.704 -5.600 -3.148 260 HA LEU 39 HA LEU 39 11.322 -3.896 -0.856 261 HB3 LEU 39 2HB LEU 39 8.793 -5.296 -0.432 262 HG LEU 39 HG LEU 39 9.166 -3.510 1.056 263 HD11 LEU 39 1HD1 LEU 39 9.349 -1.138 0.308 264 HD12 LEU 39 2HD1 LEU 39 9.557 -1.689 -1.360 265 HD13 LEU 39 3HD1 LEU 39 10.765 -2.067 -0.112 266 HD21 LEU 39 3HD2 LEU 39 7.208 -2.166 0.765 267 HD22 LEU 39 1HD2 LEU 39 6.866 -3.818 0.220 268 HD23 LEU 39 2HD2 LEU 39 7.151 -2.533 -0.978 269 H GLY 40 H GLY 40 12.704 -5.028 0.090 270 HA2 GLY 40 1HA GLY 40 13.049 -7.916 -0.057 271 HA3 GLY 40 2HA GLY 40 13.978 -6.749 0.904 272 H SER 41 H SER 41 13.620 -8.892 2.400 273 HA SER 41 HA SER 41 11.081 -9.229 3.637 274 HB3 SER 41 2HB SER 41 12.201 -10.745 4.981 275 HG SER 41 HG SER 41 14.238 -11.362 4.111 276 H HIS 42 H HIS 42 10.035 -7.931 5.080 277 HA HIS 42 HA HIS 42 9.554 -6.217 6.401 278 HB3 HIS 42 2HB HIS 42 11.338 -5.882 8.340 279 HD1 HIS 42 1HD HIS 42 9.803 -6.392 10.384 280 HD2 HIS 42 2HD HIS 42 9.452 -9.139 7.192 281 HE1 HIS 42 1HE HIS 42 7.906 -7.941 10.979 282 H ASP 43 H ASP 43 11.001 -5.654 3.879 283 HA ASP 43 HA ASP 43 12.457 -3.204 4.346 284 HB3 ASP 43 2HB ASP 43 11.045 -3.883 1.772 285 H SER 44 H SER 44 11.580 -1.347 3.078 286 HA SER 44 HA SER 44 8.792 -0.994 2.846 287 HB3 SER 44 2HB SER 44 8.534 -0.479 5.093 288 HG SER 44 HG SER 44 10.510 -0.273 5.870 289 H ILE 45 H ILE 45 8.181 1.097 1.922 290 HA ILE 45 HA ILE 45 10.275 2.801 0.812 291 HB ILE 45 HB ILE 45 10.101 1.067 -0.862 292 HG13 ILE 45 2HG1 ILE 45 10.546 3.217 -1.643 293 HG21 ILE 45 1HG2 ILE 45 8.104 0.387 -2.008 294 HG22 ILE 45 2HG2 ILE 45 7.729 0.274 -0.290 295 HG23 ILE 45 3HG2 ILE 45 7.152 1.666 -1.218 296 HD11 ILE 45 3HD1 ILE 45 9.740 3.239 -3.877 297 HD12 ILE 45 1HD1 ILE 45 9.891 1.514 -3.418 298 HD13 ILE 45 2HD1 ILE 45 8.300 2.298 -3.452 299 H ASP 46 H ASP 46 9.445 4.816 0.450 300 HA ASP 46 HA ASP 46 6.646 5.285 0.998 301 HB3 ASP 46 2HB ASP 46 7.591 6.014 3.073 302 H PHE 47 H PHE 47 5.836 6.683 -0.317 303 HA PHE 47 HA PHE 47 7.607 8.294 -2.066 304 HB3 PHE 47 2HB PHE 47 7.463 6.542 -3.543 305 HD1 PHE 47 1HD PHE 47 3.843 6.970 -3.722 306 HD2 PHE 47 2HD PHE 47 7.008 4.349 -2.550 307 HE1 PHE 47 1HE PHE 47 2.224 5.079 -3.661 308 HE2 PHE 47 2HE PHE 47 5.367 2.464 -2.324 309 HZ PHE 47 HZ PHE 47 2.996 2.844 -2.857 310 H SER 48 H SER 48 6.892 10.198 -2.463 311 HA SER 48 HA SER 48 4.434 11.288 -1.394 312 HB3 SER 48 2HB SER 48 6.439 12.325 -3.475 313 HG SER 48 HG SER 48 4.949 13.778 -3.718 314 H SER 49 H SER 49 2.572 11.804 -2.539 315 HA SER 49 HA SER 49 2.175 10.193 -5.002 316 HB3 SER 49 2HB SER 49 0.729 8.872 -3.932 317 HG SER 49 HG SER 49 2.402 8.901 -2.348 318 H ASP 50 H ASP 50 0.881 11.023 -6.498 319 HA ASP 50 HA ASP 50 0.506 13.862 -6.414 320 HB3 ASP 50 2HB ASP 50 -0.479 12.094 -8.640 321 H ALA 51 H ALA 51 -1.157 13.476 -4.519 322 HA ALA 51 HA ALA 51 -3.723 14.112 -5.701 323 HB1 ALA 51 1HB ALA 51 -3.757 11.636 -5.700 324 HB2 ALA 51 2HB ALA 51 -3.497 11.667 -3.932 325 HB3 ALA 51 3HB ALA 51 -4.998 12.341 -4.626 326 H GLY 52 H GLY 52 -4.436 15.795 -4.527 327 HA2 GLY 52 1HA GLY 52 -3.057 16.612 -2.150 328 HA3 GLY 52 2HA GLY 52 -4.501 17.333 -2.863 329 H SER 53 H SER 53 -5.907 14.611 -2.645 330 HA SER 53 HA SER 53 -6.060 14.114 0.233 331 HB3 SER 53 2HB SER 53 -8.147 14.976 0.442 332 HG SER 53 HG SER 53 -7.903 16.502 -1.132 333 H VAL 54 H VAL 54 -6.499 11.828 0.571 334 HA VAL 54 HA VAL 54 -7.232 10.286 -1.814 335 HB VAL 54 HB VAL 54 -4.982 9.606 0.133 336 HG11 VAL 54 1HG1 VAL 54 -6.279 7.531 -0.198 337 HG12 VAL 54 2HG1 VAL 54 -6.232 7.761 -1.964 338 HG13 VAL 54 3HG1 VAL 54 -4.748 7.444 -1.043 339 HG21 VAL 54 3HG2 VAL 54 -4.381 11.020 -1.851 340 HG22 VAL 54 1HG2 VAL 54 -3.649 9.413 -1.943 341 HG23 VAL 54 2HG2 VAL 54 -5.102 9.819 -2.902 342 H TYR 55 H TYR 55 -8.542 8.594 -1.275 343 HA TYR 55 HA TYR 55 -9.280 8.043 1.509 344 HB3 TYR 55 2HB TYR 55 -10.631 9.788 1.369 345 HD1 TYR 55 1HD TYR 55 -11.650 8.060 -1.833 346 HD2 TYR 55 2HD TYR 55 -10.721 11.768 0.150 347 HE1 TYR 55 1HE TYR 55 -12.099 9.294 -3.943 348 HE2 TYR 55 2HE TYR 55 -11.244 13.022 -1.931 349 HH TYR 55 HH TYR 55 -11.955 11.369 -5.000 350 H LYS 56 H LYS 56 -8.585 6.833 -1.560 351 HA LYS 56 HA LYS 56 -9.707 4.212 -0.823 352 HB3 LYS 56 2HB LYS 56 -11.341 5.068 -2.479 353 HG3 LYS 56 2HG LYS 56 -9.005 5.304 -4.455 354 HD3 LYS 56 2HD LYS 56 -10.858 6.816 -5.566 355 HE3 LYS 56 2HE LYS 56 -9.919 4.871 -6.721 356 HZ1 LYS 56 3HZ LYS 56 -11.199 2.817 -6.644 357 HZ2 LYS 56 1HZ LYS 56 -12.026 3.334 -5.336 358 HZ3 LYS 56 2HZ LYS 56 -10.385 3.073 -5.255 359 H MET 57 H MET 57 -8.440 2.497 -1.594 360 HA MET 57 HA MET 57 -5.945 3.212 -2.969 361 HB3 MET 57 2HB MET 57 -5.960 1.904 -0.217 362 HG3 MET 57 2HG MET 57 -3.902 2.208 -2.413 363 HE1 MET 57 3HE MET 57 -3.459 4.678 -0.867 364 HE2 MET 57 1HE MET 57 -1.767 4.566 -0.366 365 HE3 MET 57 2HE MET 57 -2.237 4.050 -2.001 366 H ASP 58 H ASP 58 -5.515 1.724 -4.404 367 HA ASP 58 HA ASP 58 -6.601 -1.022 -4.060 368 HB3 ASP 58 2HB ASP 58 -6.788 0.742 -6.454 369 H VAL 59 H VAL 59 -5.025 -2.253 -3.616 370 HA VAL 59 HA VAL 59 -2.299 -1.766 -4.718 371 HB VAL 59 HB VAL 59 -2.937 -3.623 -2.398 372 HG11 VAL 59 1HG1 VAL 59 -0.808 -3.871 -3.539 373 HG12 VAL 59 2HG1 VAL 59 -0.466 -2.148 -3.386 374 HG13 VAL 59 3HG1 VAL 59 -0.533 -3.180 -1.931 375 HG21 VAL 59 3HG2 VAL 59 -2.222 -0.697 -1.981 376 HG22 VAL 59 1HG2 VAL 59 -3.768 -1.467 -1.572 377 HG23 VAL 59 2HG2 VAL 59 -2.306 -1.965 -0.752 378 H THR 60 H THR 60 -1.376 -3.454 -5.897 379 HA THR 60 HA THR 60 -2.335 -6.141 -5.596 380 HB THR 60 HB THR 60 -4.017 -5.614 -7.121 381 HG1 THR 60 1HG THR 60 -3.456 -7.304 -8.207 382 HG21 THR 60 3HG2 THR 60 -3.793 -4.419 -9.183 383 HG22 THR 60 1HG2 THR 60 -2.067 -4.127 -8.848 384 HG23 THR 60 2HG2 THR 60 -3.324 -3.411 -7.810 385 H GLY 61 H GLY 61 -0.525 -7.337 -5.540 386 HA2 GLY 61 1HA GLY 61 1.843 -6.541 -7.123 387 HA3 GLY 61 2HA GLY 61 2.036 -6.594 -5.359 388 H THR 62 H THR 62 3.632 -8.344 -6.589 389 HA THR 62 HA THR 62 2.343 -10.957 -6.382 390 HB THR 62 HB THR 62 4.261 -10.276 -8.619 391 HG1 THR 62 1HG THR 62 2.406 -9.048 -8.856 392 HG21 THR 62 3HG2 THR 62 2.258 -12.578 -8.572 393 HG22 THR 62 1HG2 THR 62 3.946 -12.715 -8.061 394 HG23 THR 62 2HG2 THR 62 3.562 -12.266 -9.735 395 H THR 63 H THR 63 3.674 -12.541 -5.452 396 HA THR 63 HA THR 63 5.931 -11.613 -3.901 397 HB THR 63 HB THR 63 5.702 -13.709 -2.767 398 HG1 THR 63 1HG THR 63 4.199 -15.288 -3.617 399 HG21 THR 63 3HG2 THR 63 2.861 -12.899 -3.478 400 HG22 THR 63 1HG2 THR 63 3.912 -11.978 -2.372 401 HG23 THR 63 2HG2 THR 63 3.478 -13.644 -1.995 402 H GLN 64 H GLN 64 7.885 -12.989 -3.632 403 HA GLN 64 HA GLN 64 9.448 -13.360 -5.896 404 HB3 GLN 64 2HB GLN 64 9.640 -14.873 -3.283 405 HG3 GLN 64 2HG GLN 64 11.496 -14.377 -5.650 406 HE21 GLN 64 1HE2 GLN 64 11.985 -15.747 -2.298 407 HE22 GLN 64 2HE2 GLN 64 13.198 -14.515 -1.919 408 H SER 65 H SER 65 7.349 -15.671 -4.146 409 HA SER 65 HA SER 65 7.747 -18.016 -5.701 410 HB3 SER 65 2HB SER 65 5.253 -18.331 -4.759 411 HG SER 65 HG SER 65 6.344 -19.441 -3.491 412 H GLY 66 H GLY 66 6.102 -15.039 -6.534 413 HA2 GLY 66 1HA GLY 66 5.100 -14.516 -8.545 414 HA3 GLY 66 2HA GLY 66 5.237 -16.201 -9.071 415 H GLU 67 H GLU 67 3.752 -15.375 -5.913 416 HA GLU 67 HA GLU 67 1.074 -16.074 -6.976 417 HB3 GLU 67 2HB GLU 67 0.342 -15.713 -4.657 418 HG3 GLU 67 2HG GLU 67 2.485 -17.667 -5.038 419 H LYS 68 H LYS 68 -0.611 -14.550 -6.632 420 HA LYS 68 HA LYS 68 0.333 -11.731 -6.615 421 HB3 LYS 68 2HB LYS 68 -1.904 -12.985 -8.264 422 HG3 LYS 68 2HG LYS 68 -0.635 -10.266 -8.022 423 HD3 LYS 68 2HD LYS 68 -2.311 -11.175 -10.359 424 HE3 LYS 68 2HE LYS 68 -0.602 -8.765 -9.576 425 HZ1 LYS 68 3HZ LYS 68 -1.753 -9.199 -12.243 426 HZ2 LYS 68 1HZ LYS 68 -0.123 -9.303 -11.890 427 HZ3 LYS 68 2HZ LYS 68 -0.925 -7.886 -11.718 428 H PHE 69 H PHE 69 -0.680 -10.364 -5.356 429 HA PHE 69 HA PHE 69 -3.009 -11.254 -3.738 430 HB3 PHE 69 2HB PHE 69 -1.019 -11.438 -2.421 431 HD1 PHE 69 1HD PHE 69 -1.173 -7.742 -2.378 432 HD2 PHE 69 2HD PHE 69 1.228 -11.164 -3.415 433 HE1 PHE 69 1HE PHE 69 0.807 -6.291 -2.567 434 HE2 PHE 69 2HE PHE 69 3.267 -9.681 -3.500 435 HZ PHE 69 HZ PHE 69 3.044 -7.282 -3.004 436 H THR 70 H THR 70 -4.158 -9.362 -2.779 437 HA THR 70 HA THR 70 -3.784 -6.771 -4.146 438 HB THR 70 HB THR 70 -6.180 -6.607 -4.602 439 HG1 THR 70 1HG THR 70 -7.383 -8.651 -4.554 440 HG21 THR 70 3HG2 THR 70 -5.080 -9.095 -5.954 441 HG22 THR 70 1HG2 THR 70 -4.672 -7.434 -6.406 442 HG23 THR 70 2HG2 THR 70 -6.338 -8.002 -6.568 443 H GLY 71 H GLY 71 -5.017 -5.030 -3.179 444 HA2 GLY 71 1HA GLY 71 -6.175 -5.428 -0.489 445 HA3 GLY 71 2HA GLY 71 -4.773 -4.352 -0.635 446 H HIS 72 H HIS 72 -8.193 -4.726 -1.364 447 HA HIS 72 HA HIS 72 -8.175 -2.119 -2.855 448 HB3 HIS 72 2HB HIS 72 -10.129 -2.793 -3.978 449 HD1 HIS 72 1HD HIS 72 -7.422 -3.108 -5.476 450 HD2 HIS 72 2HD HIS 72 -9.948 -6.304 -4.288 451 HE1 HIS 72 1HE HIS 72 -6.937 -4.911 -6.983 452 H PHE 73 H PHE 73 -8.638 -0.538 -1.453 453 HA PHE 73 HA PHE 73 -10.333 -1.064 0.933 454 HB3 PHE 73 2HB PHE 73 -8.726 0.434 2.060 455 HD1 PHE 73 1HD PHE 73 -9.037 -2.173 2.777 456 HD2 PHE 73 2HD PHE 73 -5.884 -0.606 0.270 457 HE1 PHE 73 1HE PHE 73 -7.589 -4.084 3.394 458 HE2 PHE 73 2HE PHE 73 -4.442 -2.505 0.920 459 HZ PHE 73 HZ PHE 73 -5.319 -4.271 2.465 460 H LYS 74 H LYS 74 -11.244 0.882 1.946 461 HA LYS 74 HA LYS 74 -11.774 3.159 0.134 462 HB3 LYS 74 2HB LYS 74 -14.198 2.852 0.694 463 HG3 LYS 74 2HG LYS 74 -13.034 0.378 -0.669 464 HD3 LYS 74 2HD LYS 74 -15.718 1.750 -0.950 465 HE3 LYS 74 2HE LYS 74 -14.691 -0.993 -1.821 466 HZ1 LYS 74 3HZ LYS 74 -16.878 -0.934 -3.010 467 HZ2 LYS 74 1HZ LYS 74 -17.280 0.378 -2.130 468 HZ3 LYS 74 2HZ LYS 74 -16.997 -1.067 -1.372 469 H GLY 75 H GLY 75 -12.690 4.910 1.256 470 HA2 GLY 75 1HA GLY 75 -12.506 6.500 2.806 471 HA3 GLY 75 2HA GLY 75 -13.319 5.353 3.928 472 H LEU 76 H LEU 76 -10.235 6.037 2.402 473 HA LEU 76 HA LEU 76 -8.588 5.076 4.663 474 HB3 LEU 76 2HB LEU 76 -6.775 6.199 3.199 475 HG LEU 76 HG LEU 76 -7.067 4.708 1.187 476 HD11 LEU 76 1HD1 LEU 76 -5.566 4.155 3.117 477 HD12 LEU 76 2HD1 LEU 76 -6.227 2.689 2.368 478 HD13 LEU 76 3HD1 LEU 76 -6.910 3.298 3.891 479 HD21 LEU 76 3HD2 LEU 76 -9.454 4.170 1.343 480 HD22 LEU 76 1HD2 LEU 76 -9.091 3.137 2.735 481 HD23 LEU 76 2HD2 LEU 76 -8.390 2.790 1.143 482 H VAL 77 H VAL 77 -7.097 6.602 5.784 483 HA VAL 77 HA VAL 77 -8.246 9.118 6.469 484 HB VAL 77 HB VAL 77 -6.327 9.469 7.848 485 HG11 VAL 77 1HG1 VAL 77 -7.961 7.675 8.530 486 HG12 VAL 77 2HG1 VAL 77 -6.837 6.465 7.909 487 HG13 VAL 77 3HG1 VAL 77 -6.348 7.520 9.250 488 HG21 VAL 77 3HG2 VAL 77 -4.479 8.937 6.417 489 HG22 VAL 77 1HG2 VAL 77 -4.356 7.935 7.854 490 HG23 VAL 77 2HG2 VAL 77 -4.937 7.219 6.332 491 H GLY 78 H GLY 78 -6.990 11.234 6.221 492 HA2 GLY 78 1HA GLY 78 -7.288 11.863 3.532 493 HA3 GLY 78 2HA GLY 78 -6.670 12.945 4.757 494 H LYS 79 H LYS 79 -4.436 12.945 5.113 495 HA LYS 79 HA LYS 79 -3.181 12.972 2.450 496 HB3 LYS 79 2HB LYS 79 -1.878 14.894 3.202 497 HG3 LYS 79 2HG LYS 79 -4.854 15.210 3.701 498 HD3 LYS 79 2HD LYS 79 -3.696 17.328 3.729 499 HE3 LYS 79 2HE LYS 79 -2.989 17.721 1.025 500 HZ1 LYS 79 3HZ LYS 79 -1.891 18.768 2.820 501 HZ2 LYS 79 1HZ LYS 79 -0.773 17.999 1.922 502 HZ3 LYS 79 2HZ LYS 79 -1.189 17.361 3.363 503 H ASP 80 H ASP 80 -2.887 10.770 4.601 504 HA ASP 80 HA ASP 80 -0.122 10.143 3.914 505 HB3 ASP 80 2HB ASP 80 0.156 11.099 6.151 506 H THR 81 H THR 81 0.147 7.859 3.714 507 HA THR 81 HA THR 81 -2.030 6.077 4.725 508 HB THR 81 HB THR 81 -0.909 5.406 2.038 509 HG1 THR 81 1HG THR 81 -3.076 7.213 2.123 510 HG21 THR 81 3HG2 THR 81 -2.521 3.960 3.133 511 HG22 THR 81 1HG2 THR 81 -3.315 4.706 1.730 512 HG23 THR 81 2HG2 THR 81 -3.632 5.324 3.372 513 H ARG 82 H ARG 82 -1.348 3.962 5.207 514 HA ARG 82 HA ARG 82 1.326 3.186 4.216 515 HB3 ARG 82 2HB ARG 82 1.815 1.897 6.245 516 HG3 ARG 82 2HG ARG 82 1.189 4.677 7.215 517 HD3 ARG 82 2HD ARG 82 3.770 3.175 7.671 518 HE ARG 82 HE ARG 82 3.537 5.532 8.400 519 HH11 ARG 82 1HH1 ARG 82 2.356 3.004 10.587 520 HH12 ARG 82 2HH1 ARG 82 1.617 4.092 11.717 521 HH21 ARG 82 1HH2 ARG 82 2.606 6.988 9.886 522 HH22 ARG 82 2HH2 ARG 82 2.102 6.469 11.459 523 H VAL 83 H VAL 83 1.487 0.797 4.177 524 HA VAL 83 HA VAL 83 -1.100 -0.620 3.885 525 HB VAL 83 HB VAL 83 1.171 -0.446 1.901 526 HG11 VAL 83 1HG1 VAL 83 -1.499 -1.911 1.720 527 HG12 VAL 83 2HG1 VAL 83 -0.295 -1.817 0.415 528 HG13 VAL 83 3HG1 VAL 83 0.091 -2.683 1.902 529 HG21 VAL 83 3HG2 VAL 83 -0.484 0.548 0.326 530 HG22 VAL 83 1HG2 VAL 83 -1.605 0.720 1.702 531 HG23 VAL 83 2HG2 VAL 83 -0.049 1.587 1.677 532 H PHE 84 H PHE 84 -0.899 -2.437 5.116 533 HA PHE 84 HA PHE 84 1.822 -3.428 5.809 534 HB3 PHE 84 2HB PHE 84 0.596 -4.721 7.529 535 HD1 PHE 84 1HD PHE 84 2.110 -1.837 7.148 536 HD2 PHE 84 2HD PHE 84 -1.275 -3.283 9.388 537 HE1 PHE 84 1HE PHE 84 2.372 0.025 8.753 538 HE2 PHE 84 2HE PHE 84 -0.884 -1.563 11.076 539 HZ PHE 84 HZ PHE 84 0.912 0.122 10.774 540 H ILE 85 H ILE 85 2.464 -4.634 4.269 541 HA ILE 85 HA ILE 85 0.908 -6.829 2.998 542 HB ILE 85 HB ILE 85 3.905 -6.326 3.041 543 HG13 ILE 85 2HG1 ILE 85 2.830 -4.331 1.969 544 HG21 ILE 85 1HG2 ILE 85 3.865 -7.879 1.152 545 HG22 ILE 85 2HG2 ILE 85 3.017 -8.562 2.526 546 HG23 ILE 85 3HG2 ILE 85 2.072 -7.863 1.213 547 HD11 ILE 85 3HD1 ILE 85 3.895 -6.067 -0.277 548 HD12 ILE 85 1HD1 ILE 85 3.966 -4.305 -0.100 549 HD13 ILE 85 2HD1 ILE 85 4.948 -5.325 0.950 550 H GLU 86 H GLU 86 0.558 -8.480 4.316 551 HA GLU 86 HA GLU 86 2.514 -9.600 6.096 552 HB3 GLU 86 2HB GLU 86 1.770 -7.984 7.673 553 HG3 GLU 86 2HG GLU 86 -1.108 -8.789 7.127 554 H LEU 87 H LEU 87 1.131 -11.512 7.336 555 HA LEU 87 HA LEU 87 -0.553 -12.763 5.199 556 HB3 LEU 87 2HB LEU 87 0.201 -14.901 5.806 557 HG LEU 87 HG LEU 87 2.733 -13.212 5.910 558 HD11 LEU 87 1HD1 LEU 87 3.909 -15.243 5.422 559 HD12 LEU 87 2HD1 LEU 87 2.385 -16.159 5.253 560 HD13 LEU 87 3HD1 LEU 87 2.899 -15.552 6.830 561 HD21 LEU 87 3HD2 LEU 87 2.985 -13.816 3.547 562 HD22 LEU 87 1HD2 LEU 87 1.500 -12.878 3.797 563 HD23 LEU 87 2HD2 LEU 87 1.399 -14.637 3.572 564 H ASP 88 H ASP 88 -2.133 -14.279 6.100 565 HA ASP 88 HA ASP 88 -2.638 -14.451 8.862 566 HB3 ASP 88 2HB ASP 88 -5.032 -13.216 7.511 567 H GLU 89 H GLU 89 -5.296 -15.336 8.667 568 HA GLU 89 HA GLU 89 -6.721 -16.900 8.005 569 HB3 GLU 89 2HB GLU 89 -6.884 -17.401 5.527 570 HG3 GLU 89 2HG GLU 89 -7.357 -15.083 4.801 571 H ASN 90 H ASN 90 -3.893 -17.824 6.078 572 HA ASN 90 HA ASN 90 -3.721 -20.467 7.384 573 HB3 ASN 90 2HB ASN 90 -3.794 -21.716 5.305 574 HD21 ASN 90 1HD2 ASN 90 -6.097 -19.415 4.108 575 HD22 ASN 90 2HD2 ASN 90 -7.516 -20.137 4.894 576 H ALA 91 H ALA 91 -2.123 -17.960 7.277 577 HA ALA 91 HA ALA 91 -0.183 -16.992 6.731 578 HB1 ALA 91 1HB ALA 91 0.951 -19.678 5.885 579 HB2 ALA 91 2HB ALA 91 1.834 -18.208 6.307 580 HB3 ALA 91 3HB ALA 91 0.927 -19.071 7.560 581 H ASP 92 H ASP 92 -2.335 -17.021 5.003 582 HA ASP 92 HA ASP 92 -1.523 -17.473 2.195 583 HB3 ASP 92 2HB ASP 92 -3.663 -16.219 1.729 584 H VAL 93 H VAL 93 -0.921 -15.741 0.825 585 HA VAL 93 HA VAL 93 -0.012 -13.280 2.031 586 HB VAL 93 HB VAL 93 -0.637 -13.817 -0.890 587 HG11 VAL 93 1HG1 VAL 93 1.140 -12.131 -1.289 588 HG12 VAL 93 2HG1 VAL 93 -0.109 -11.425 -0.232 589 HG13 VAL 93 3HG1 VAL 93 1.395 -12.004 0.461 590 HG21 VAL 93 3HG2 VAL 93 2.055 -14.298 0.432 591 HG22 VAL 93 1HG2 VAL 93 0.960 -15.595 0.014 592 HG23 VAL 93 2HG2 VAL 93 1.625 -14.583 -1.257 593 H GLN 94 H GLN 94 -1.137 -11.427 2.352 594 HA GLN 94 HA GLN 94 -3.481 -10.731 0.780 595 HB3 GLN 94 2HB GLN 94 -4.607 -12.033 2.360 596 HG3 GLN 94 2HG GLN 94 -3.779 -10.525 4.816 597 HE21 GLN 94 1HE2 GLN 94 -3.345 -13.991 4.262 598 HE22 GLN 94 2HE2 GLN 94 -4.834 -14.487 5.037 599 H VAL 95 H VAL 95 -4.371 -8.476 2.153 600 HA VAL 95 HA VAL 95 -1.951 -6.953 2.873 601 HB VAL 95 HB VAL 95 -3.991 -5.953 0.849 602 HG11 VAL 95 1HG1 VAL 95 -1.458 -4.645 1.936 603 HG12 VAL 95 2HG1 VAL 95 -2.465 -4.004 0.612 604 HG13 VAL 95 3HG1 VAL 95 -3.114 -4.095 2.247 605 HG21 VAL 95 3HG2 VAL 95 -2.449 -7.545 -0.238 606 HG22 VAL 95 1HG2 VAL 95 -2.094 -5.900 -0.765 607 HG23 VAL 95 2HG2 VAL 95 -1.054 -6.695 0.446 608 H PHE 96 H PHE 96 -2.314 -5.421 4.381 609 HA PHE 96 HA PHE 96 -4.985 -5.179 5.629 610 HB3 PHE 96 2HB PHE 96 -2.352 -5.469 7.126 611 HD1 PHE 96 2HD PHE 96 -3.522 -4.075 8.968 612 HD2 PHE 96 1HD PHE 96 -5.096 -7.837 7.494 613 HE1 PHE 96 2HE PHE 96 -5.023 -4.289 10.954 614 HE2 PHE 96 1HE PHE 96 -6.552 -8.014 9.485 615 HZ PHE 96 HZ PHE 96 -6.513 -6.237 11.211 616 H ILE 97 H ILE 97 -4.894 -3.237 7.244 617 HA ILE 97 HA ILE 97 -2.841 -1.303 6.624 618 HB ILE 97 HB ILE 97 -4.886 0.446 6.436 619 HG13 ILE 97 2HG1 ILE 97 -6.672 -1.262 6.402 620 HG21 ILE 97 1HG2 ILE 97 -4.251 0.832 4.223 621 HG22 ILE 97 2HG2 ILE 97 -2.864 0.071 4.972 622 HG23 ILE 97 3HG2 ILE 97 -3.906 -0.901 3.919 623 HD11 ILE 97 3HD1 ILE 97 -7.902 -0.443 4.491 624 HD12 ILE 97 1HD1 ILE 97 -6.939 0.917 5.117 625 HD13 ILE 97 2HD1 ILE 97 -6.406 0.025 3.663 626 HA PRO 98 HA PRO 98 -3.588 -0.311 10.889 627 HB3 PRO 98 2HB PRO 98 -1.515 0.600 10.997 628 HG3 PRO 98 2HG PRO 98 -0.528 1.611 9.098 629 HD3 PRO 98 2HD PRO 98 -1.364 -0.383 8.120 630 H GLN 99 H GLN 99 -5.623 0.222 11.508 631 HA GLN 99 HA GLN 99 -6.993 2.629 10.433 632 HB3 GLN 99 2HB GLN 99 -9.007 0.964 10.180 633 HG3 GLN 99 2HG GLN 99 -8.182 0.116 7.969 634 HE21 GLN 99 1HE2 GLN 99 -6.379 3.049 7.459 635 HE22 GLN 99 2HE2 GLN 99 -7.821 3.997 7.064 636 H GLY 100 H GLY 100 -9.428 2.275 11.644 637 HA2 GLY 100 1HA GLY 100 -9.405 1.356 14.314 638 HA3 GLY 100 2HA GLY 100 -9.005 3.080 14.338 639 H GLU 101 H GLU 101 -10.406 4.379 12.686 640 HA GLU 101 HA GLU 101 -13.182 4.149 13.455 641 HB3 GLU 101 2HB GLU 101 -13.403 6.241 12.185 642 HG3 GLU 101 2HG GLU 101 -11.554 7.649 13.144 643 H ILE 102 H ILE 102 -13.163 1.932 12.514 644 HA ILE 102 HA ILE 102 -14.173 1.917 9.710 645 HB ILE 102 HB ILE 102 -13.514 -0.597 9.839 646 HG13 ILE 102 2HG1 ILE 102 -12.693 -0.478 12.245 647 HG21 ILE 102 1HG2 ILE 102 -11.402 -0.031 8.713 648 HG22 ILE 102 2HG2 ILE 102 -12.693 1.084 8.254 649 HG23 ILE 102 3HG2 ILE 102 -11.458 1.604 9.427 650 HD11 ILE 102 3HD1 ILE 102 -10.755 -1.912 11.940 651 HD12 ILE 102 1HD1 ILE 102 -12.031 -2.370 10.789 652 HD13 ILE 102 2HD1 ILE 102 -10.608 -1.447 10.244 653 H ASP 103 H ASP 103 -16.075 2.652 10.645 654 HA ASP 103 HA ASP 103 -17.950 0.825 11.660 655 HB3 ASP 103 2HB ASP 103 -16.824 0.998 13.780 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -6.853 22.729 -2.684 2 HA2 GLY 1 1HA GLY 1 -5.873 22.222 -5.443 3 HA3 GLY 1 2HA GLY 1 -6.213 23.843 -4.787 4 H ALA 2 H ALA 2 -4.370 20.889 -3.965 5 HA ALA 2 HA ALA 2 -2.215 22.378 -2.670 6 HB1 ALA 2 1HB ALA 2 -2.740 19.496 -3.488 7 HB2 ALA 2 2HB ALA 2 -1.114 20.024 -3.083 8 HB3 ALA 2 3HB ALA 2 -2.403 20.152 -1.868 9 H GLN 3 H GLN 3 -0.233 22.748 -3.691 10 HA GLN 3 HA GLN 3 0.039 21.850 -6.526 11 HB3 GLN 3 2HB GLN 3 1.787 23.559 -6.834 12 HG3 GLN 3 2HG GLN 3 -0.828 24.889 -6.020 13 HE21 GLN 3 1HE2 GLN 3 -0.608 25.494 -9.139 14 HE22 GLN 3 2HE2 GLN 3 0.540 26.822 -9.197 15 H ASP 4 H ASP 4 2.391 22.965 -4.052 16 HA ASP 4 HA ASP 4 3.551 20.232 -3.890 17 HB3 ASP 4 2HB ASP 4 5.282 22.571 -4.631 18 H GLY 5 H GLY 5 2.131 21.901 -1.949 19 HA2 GLY 5 1HA GLY 5 4.226 22.833 -0.084 20 HA3 GLY 5 2HA GLY 5 2.547 23.418 -0.202 21 H LYS 6 H LYS 6 2.904 22.805 2.101 22 HA LYS 6 HA LYS 6 2.867 19.970 2.821 23 HB3 LYS 6 2HB LYS 6 4.150 21.306 4.246 24 HG3 LYS 6 2HG LYS 6 2.952 22.961 5.821 25 HD3 LYS 6 2HD LYS 6 3.150 24.561 3.420 26 HE3 LYS 6 2HE LYS 6 5.081 24.127 5.738 27 HZ1 LYS 6 3HZ LYS 6 4.862 26.289 3.763 28 HZ2 LYS 6 1HZ LYS 6 6.197 25.332 4.129 29 HZ3 LYS 6 2HZ LYS 6 5.659 26.462 5.191 30 H GLU 7 H GLU 7 0.760 19.997 1.325 31 HA GLU 7 HA GLU 7 -1.605 19.889 3.130 32 HB3 GLU 7 2HB GLU 7 -3.014 21.140 1.566 33 HG3 GLU 7 2HG GLU 7 -0.564 22.778 2.343 34 H THR 8 H THR 8 0.049 17.871 2.103 35 HA THR 8 HA THR 8 -1.699 16.349 0.285 36 HB THR 8 HB THR 8 0.718 15.704 -0.704 37 HG1 THR 8 1HG THR 8 1.892 17.689 -0.999 38 HG21 THR 8 3HG2 THR 8 0.235 17.207 -2.587 39 HG22 THR 8 1HG2 THR 8 -0.840 18.184 -1.546 40 HG23 THR 8 2HG2 THR 8 -1.268 16.509 -1.971 41 H THR 9 H THR 9 -1.597 14.107 0.556 42 HA THR 9 HA THR 9 -0.732 13.207 3.155 43 HB THR 9 HB THR 9 -1.595 10.997 1.961 44 HG1 THR 9 1HG THR 9 -2.878 11.468 0.139 45 HG21 THR 9 3HG2 THR 9 -3.899 11.616 2.382 46 HG22 THR 9 1HG2 THR 9 -3.449 13.346 2.402 47 HG23 THR 9 2HG2 THR 9 -2.806 12.218 3.646 48 H THR 10 H THR 10 0.548 11.346 3.526 49 HA THR 10 HA THR 10 2.407 10.631 1.371 50 HB THR 10 HB THR 10 2.889 10.133 4.320 51 HG1 THR 10 1HG THR 10 2.422 12.252 4.304 52 HG21 THR 10 3HG2 THR 10 4.531 9.224 2.637 53 HG22 THR 10 1HG2 THR 10 5.266 10.417 3.722 54 HG23 THR 10 2HG2 THR 10 4.831 10.879 2.066 55 H ILE 11 H ILE 11 2.960 8.301 1.281 56 HA ILE 11 HA ILE 11 1.019 6.483 2.592 57 HB ILE 11 HB ILE 11 2.140 6.407 -0.237 58 HG13 ILE 11 2HG1 ILE 11 0.083 7.851 0.292 59 HG21 ILE 11 1HG2 ILE 11 0.819 4.288 -0.537 60 HG22 ILE 11 2HG2 ILE 11 2.158 4.103 0.566 61 HG23 ILE 11 3HG2 ILE 11 0.499 4.269 1.209 62 HD11 ILE 11 3HD1 ILE 11 -1.210 7.258 -1.586 63 HD12 ILE 11 1HD1 ILE 11 0.490 7.000 -2.014 64 HD13 ILE 11 2HD1 ILE 11 -0.568 5.614 -1.635 65 H ARG 12 H ARG 12 2.043 4.343 3.061 66 HA ARG 12 HA ARG 12 4.896 4.145 2.514 67 HB3 ARG 12 2HB ARG 12 3.744 3.668 5.291 68 HG3 ARG 12 2HG ARG 12 6.685 3.468 4.576 69 HD3 ARG 12 2HD ARG 12 6.647 1.972 6.605 70 HE ARG 12 HE ARG 12 5.406 4.301 7.768 71 HH11 ARG 12 1HH1 ARG 12 8.521 3.150 6.495 72 HH12 ARG 12 2HH1 ARG 12 9.104 4.774 6.185 73 HH21 ARG 12 1HH2 ARG 12 6.343 6.452 7.525 74 HH22 ARG 12 2HH2 ARG 12 7.971 6.538 6.878 75 H LEU 13 H LEU 13 5.495 2.080 2.092 76 HA LEU 13 HA LEU 13 3.420 -0.032 2.410 77 HB3 LEU 13 2HB LEU 13 5.107 -1.161 0.603 78 HG LEU 13 HG LEU 13 4.039 0.237 -1.373 79 HD11 LEU 13 1HD1 LEU 13 2.598 -1.789 0.356 80 HD12 LEU 13 2HD1 LEU 13 3.653 -2.085 -1.015 81 HD13 LEU 13 3HD1 LEU 13 2.083 -1.318 -1.281 82 HD21 LEU 13 3HD2 LEU 13 1.798 1.065 -0.931 83 HD22 LEU 13 1HD2 LEU 13 2.989 2.009 -0.027 84 HD23 LEU 13 2HD2 LEU 13 1.999 0.804 0.806 85 H ILE 14 H ILE 14 3.921 -1.807 3.564 86 HA ILE 14 HA ILE 14 6.691 -2.066 4.593 87 HB ILE 14 HB ILE 14 4.124 -2.555 6.128 88 HG13 ILE 14 2HG1 ILE 14 5.685 0.020 5.901 89 HG21 ILE 14 1HG2 ILE 14 6.092 -3.750 6.885 90 HG22 ILE 14 2HG2 ILE 14 7.049 -2.268 6.951 91 HG23 ILE 14 3HG2 ILE 14 5.727 -2.549 8.090 92 HD11 ILE 14 3HD1 ILE 14 3.414 0.114 4.941 93 HD12 ILE 14 1HD1 ILE 14 2.748 -0.675 6.384 94 HD13 ILE 14 2HD1 ILE 14 3.362 0.952 6.493 95 H ASN 15 H ASN 15 7.408 -3.922 3.593 96 HA ASN 15 HA ASN 15 5.634 -6.100 2.971 97 HB3 ASN 15 2HB ASN 15 8.681 -6.035 2.985 98 HD21 ASN 15 1HD2 ASN 15 9.600 -7.648 1.783 99 HD22 ASN 15 2HD2 ASN 15 8.725 -9.096 1.316 100 H GLN 16 H GLN 16 4.743 -6.722 5.240 101 HA GLN 16 HA GLN 16 6.817 -7.768 7.085 102 HB3 GLN 16 2HB GLN 16 5.124 -7.966 8.713 103 HG3 GLN 16 2HG GLN 16 4.301 -5.257 7.700 104 HE21 GLN 16 1HE2 GLN 16 3.402 -4.653 9.688 105 HE22 GLN 16 2HE2 GLN 16 4.016 -5.132 11.258 106 H THR 17 H THR 17 6.990 -9.261 5.045 107 HA THR 17 HA THR 17 5.421 -11.775 5.624 108 HB THR 17 HB THR 17 5.455 -12.145 3.138 109 HG1 THR 17 1HG THR 17 5.855 -9.894 2.108 110 HG21 THR 17 3HG2 THR 17 3.499 -11.239 4.326 111 HG22 THR 17 1HG2 THR 17 3.618 -10.667 2.673 112 HG23 THR 17 2HG2 THR 17 4.074 -9.584 4.000 113 H TYR 18 H TYR 18 6.394 -13.607 4.227 114 HA TYR 18 HA TYR 18 9.226 -13.911 4.965 115 HB3 TYR 18 2HB TYR 18 7.474 -15.544 5.628 116 HD1 TYR 18 1HD TYR 18 6.268 -14.894 2.559 117 HD2 TYR 18 2HD TYR 18 7.797 -18.288 4.742 118 HE1 TYR 18 1HE TYR 18 4.710 -16.397 1.351 119 HE2 TYR 18 2HE TYR 18 6.299 -19.779 3.497 120 HH TYR 18 HH TYR 18 3.985 -18.673 1.016 121 H PHE 19 H PHE 19 8.121 -12.413 2.354 122 HA PHE 19 HA PHE 19 10.026 -13.773 0.551 123 HB3 PHE 19 2HB PHE 19 8.006 -14.640 -0.248 124 HD1 PHE 19 1HD PHE 19 7.407 -10.881 -0.467 125 HD2 PHE 19 2HD PHE 19 5.653 -14.811 0.114 126 HE1 PHE 19 1HE PHE 19 5.217 -9.874 -0.048 127 HE2 PHE 19 2HE PHE 19 3.557 -13.776 0.670 128 HZ PHE 19 HZ PHE 19 3.272 -11.333 0.558 129 H ASN 20 H ASN 20 10.322 -12.268 -1.419 130 HA ASN 20 HA ASN 20 10.716 -9.419 -0.606 131 HB3 ASN 20 2HB ASN 20 11.905 -11.152 -2.835 132 HD21 ASN 20 1HD2 ASN 20 12.754 -9.998 -4.712 133 HD22 ASN 20 2HD2 ASN 20 12.922 -8.258 -4.616 134 H VAL 21 H VAL 21 9.825 -7.815 -2.158 135 HA VAL 21 HA VAL 21 8.105 -8.925 -4.315 136 HB VAL 21 HB VAL 21 6.476 -7.109 -3.934 137 HG11 VAL 21 1HG1 VAL 21 5.747 -9.261 -3.339 138 HG12 VAL 21 2HG1 VAL 21 6.662 -9.237 -1.812 139 HG13 VAL 21 3HG1 VAL 21 5.244 -8.200 -2.029 140 HG21 VAL 21 3HG2 VAL 21 7.655 -6.983 -1.099 141 HG22 VAL 21 1HG2 VAL 21 7.876 -5.727 -2.319 142 HG23 VAL 21 2HG2 VAL 21 6.256 -6.077 -1.689 143 H LYS 22 H LYS 22 8.125 -7.630 -6.207 144 HA LYS 22 HA LYS 22 10.235 -5.517 -6.325 145 HB3 LYS 22 2HB LYS 22 11.394 -7.635 -6.596 146 HG3 LYS 22 2HG LYS 22 10.820 -8.871 -8.859 147 HD3 LYS 22 2HD LYS 22 9.403 -9.384 -6.226 148 HE3 LYS 22 2HE LYS 22 8.113 -10.186 -8.296 149 HZ1 LYS 22 3HZ LYS 22 10.335 -12.177 -8.261 150 HZ2 LYS 22 1HZ LYS 22 10.025 -11.175 -9.497 151 HZ3 LYS 22 2HZ LYS 22 8.941 -12.333 -9.092 152 H ASN 23 H ASN 23 7.372 -5.409 -6.671 153 HA ASN 23 HA ASN 23 7.114 -4.104 -9.207 154 HB3 ASN 23 2HB ASN 23 7.448 -6.273 -10.263 155 HD21 ASN 23 1HD2 ASN 23 5.319 -6.676 -7.436 156 HD22 ASN 23 2HD2 ASN 23 5.693 -8.399 -7.242 157 H ILE 24 H ILE 24 6.144 -3.157 -6.863 158 HA ILE 24 HA ILE 24 3.413 -4.284 -6.460 159 HB ILE 24 HB ILE 24 4.878 -2.365 -4.628 160 HG13 ILE 24 2HG1 ILE 24 5.261 -5.330 -4.991 161 HG21 ILE 24 1HG2 ILE 24 2.624 -4.335 -4.160 162 HG22 ILE 24 2HG2 ILE 24 3.366 -3.238 -2.980 163 HG23 ILE 24 3HG2 ILE 24 2.452 -2.572 -4.317 164 HD11 ILE 24 3HD1 ILE 24 7.489 -4.859 -4.289 165 HD12 ILE 24 1HD1 ILE 24 7.097 -3.457 -5.263 166 HD13 ILE 24 2HD1 ILE 24 7.019 -3.350 -3.495 167 H LYS 25 H LYS 25 1.876 -3.276 -7.626 168 HA LYS 25 HA LYS 25 1.982 -0.475 -8.372 169 HB3 LYS 25 2HB LYS 25 -0.386 -2.327 -8.113 170 HG3 LYS 25 2HG LYS 25 -0.627 0.216 -8.673 171 HD3 LYS 25 2HD LYS 25 -0.605 -0.785 -11.513 172 HE3 LYS 25 2HE LYS 25 -0.062 1.723 -9.877 173 HZ1 LYS 25 3HZ LYS 25 -0.289 2.822 -12.189 174 HZ2 LYS 25 1HZ LYS 25 -0.345 1.390 -12.871 175 HZ3 LYS 25 2HZ LYS 25 1.051 1.859 -12.166 176 H VAL 26 H VAL 26 1.039 1.248 -7.326 177 HA VAL 26 HA VAL 26 -0.746 0.665 -5.112 178 HB VAL 26 HB VAL 26 1.402 2.858 -4.930 179 HG11 VAL 26 1HG1 VAL 26 -0.595 1.801 -2.965 180 HG12 VAL 26 2HG1 VAL 26 0.856 2.665 -2.438 181 HG13 VAL 26 3HG1 VAL 26 -0.238 3.476 -3.528 182 HG21 VAL 26 3HG2 VAL 26 2.665 1.407 -3.380 183 HG22 VAL 26 1HG2 VAL 26 1.609 0.054 -3.844 184 HG23 VAL 26 2HG2 VAL 26 2.650 0.888 -5.051 185 H THR 27 H THR 27 -2.612 1.719 -5.259 186 HA THR 27 HA THR 27 -2.788 4.188 -6.916 187 HB THR 27 HB THR 27 -4.803 1.972 -6.630 188 HG1 THR 27 1HG THR 27 -3.458 0.791 -7.535 189 HG21 THR 27 3HG2 THR 27 -4.520 4.184 -8.647 190 HG22 THR 27 1HG2 THR 27 -5.846 3.861 -7.520 191 HG23 THR 27 2HG2 THR 27 -5.575 2.783 -8.897 192 H TRP 28 H TRP 28 -3.870 5.843 -5.741 193 HA TRP 28 HA TRP 28 -5.392 5.097 -3.243 194 HB3 TRP 28 2HB TRP 28 -3.134 5.811 -2.615 195 HD1 TRP 28 HD TRP 28 -4.088 9.392 -3.401 196 HE1 TRP 28 1HE TRP 28 -2.324 10.429 -4.906 197 HE3 TRP 28 3HE TRP 28 -1.413 5.192 -4.352 198 HZ2 TRP 28 2HZ TRP 28 0.338 9.560 -5.969 199 HZ3 TRP 28 3HZ TRP 28 0.750 5.287 -5.550 200 HH2 TRP 28 HH TRP 28 1.646 7.429 -6.302 201 H ASN 29 H ASN 29 -6.100 5.953 -6.095 202 HA ASN 29 HA ASN 29 -8.179 7.722 -5.376 203 HB3 ASN 29 2HB ASN 29 -6.617 9.130 -7.485 204 HD21 ASN 29 1HD2 ASN 29 -7.161 9.984 -4.093 205 HD22 ASN 29 2HD2 ASN 29 -8.560 11.035 -4.386 206 H ASP 30 H ASP 30 -9.087 8.589 -7.753 207 HA ASP 30 HA ASP 30 -9.673 6.052 -9.129 208 HB3 ASP 30 2HB ASP 30 -11.315 7.424 -10.351 209 H GLY 31 H GLY 31 -7.516 5.677 -9.866 210 HA2 GLY 31 1HA GLY 31 -6.500 5.435 -11.984 211 HA3 GLY 31 2HA GLY 31 -6.907 7.096 -12.395 212 H LYS 32 H LYS 32 -5.639 7.701 -9.363 213 HA LYS 32 HA LYS 32 -3.064 8.227 -10.597 214 HB3 LYS 32 2HB LYS 32 -4.363 9.089 -7.983 215 HG3 LYS 32 2HG LYS 32 -2.022 8.912 -7.645 216 HD3 LYS 32 2HD LYS 32 -1.299 11.117 -9.569 217 HE3 LYS 32 2HE LYS 32 0.045 8.636 -8.412 218 HZ1 LYS 32 3HZ LYS 32 0.892 9.217 -10.671 219 HZ2 LYS 32 1HZ LYS 32 2.007 9.255 -9.481 220 HZ3 LYS 32 2HZ LYS 32 1.430 10.651 -10.060 221 H GLU 33 H GLU 33 -1.315 7.002 -10.223 222 HA GLU 33 HA GLU 33 -1.083 5.225 -7.847 223 HB3 GLU 33 2HB GLU 33 -1.114 3.295 -9.032 224 HG3 GLU 33 2HG GLU 33 -3.193 4.697 -10.209 225 H GLN 34 H GLN 34 0.872 4.061 -8.050 226 HA GLN 34 HA GLN 34 3.097 4.907 -9.694 227 HB3 GLN 34 2HB GLN 34 3.223 6.601 -7.893 228 HG3 GLN 34 2HG GLN 34 2.891 4.568 -6.009 229 HE21 GLN 34 1HE2 GLN 34 4.326 3.036 -5.144 230 HE22 GLN 34 2HE2 GLN 34 6.077 3.243 -5.280 231 H THR 35 H THR 35 5.213 3.369 -8.864 232 HA THR 35 HA THR 35 4.051 0.937 -7.730 233 HB THR 35 HB THR 35 5.074 -0.542 -9.292 234 HG1 THR 35 1HG THR 35 5.944 0.562 -11.307 235 HG21 THR 35 3HG2 THR 35 3.835 -0.232 -11.284 236 HG22 THR 35 1HG2 THR 35 3.733 1.541 -11.047 237 HG23 THR 35 2HG2 THR 35 2.854 0.449 -9.981 238 H VAL 36 H VAL 36 5.677 -0.365 -6.581 239 HA VAL 36 HA VAL 36 8.017 1.259 -5.681 240 HB VAL 36 HB VAL 36 6.606 -1.156 -4.500 241 HG11 VAL 36 1HG1 VAL 36 8.052 -0.888 -2.511 242 HG12 VAL 36 2HG1 VAL 36 8.963 -1.379 -3.933 243 HG13 VAL 36 3HG1 VAL 36 9.017 0.306 -3.396 244 HG21 VAL 36 3HG2 VAL 36 6.041 0.394 -2.645 245 HG22 VAL 36 1HG2 VAL 36 6.787 1.728 -3.547 246 HG23 VAL 36 2HG2 VAL 36 5.338 0.909 -4.181 247 H ASN 37 H ASN 37 9.992 0.711 -6.182 248 HA ASN 37 HA ASN 37 10.711 -0.965 -8.320 249 HB3 ASN 37 2HB ASN 37 12.250 0.413 -6.108 250 HD21 ASN 37 1HD2 ASN 37 14.432 0.033 -5.777 251 HD22 ASN 37 2HD2 ASN 37 15.333 -1.139 -6.682 252 H THR 38 H THR 38 11.905 -1.557 -4.932 253 HA THR 38 HA THR 38 10.868 -4.225 -4.984 254 HB THR 38 HB THR 38 13.890 -3.788 -5.014 255 HG1 THR 38 1HG THR 38 12.331 -4.071 -7.016 256 HG21 THR 38 3HG2 THR 38 12.289 -6.360 -4.725 257 HG22 THR 38 1HG2 THR 38 13.282 -5.620 -3.453 258 HG23 THR 38 2HG2 THR 38 14.056 -6.261 -4.906 259 H LEU 39 H LEU 39 10.737 -5.097 -2.887 260 HA LEU 39 HA LEU 39 11.492 -3.319 -0.657 261 HB3 LEU 39 2HB LEU 39 8.756 -4.627 -0.711 262 HG LEU 39 HG LEU 39 9.409 -3.569 1.382 263 HD11 LEU 39 1HD1 LEU 39 10.961 -1.813 0.798 264 HD12 LEU 39 2HD1 LEU 39 9.483 -0.945 1.199 265 HD13 LEU 39 3HD1 LEU 39 9.905 -1.191 -0.484 266 HD21 LEU 39 3HD2 LEU 39 7.344 -1.909 -0.124 267 HD22 LEU 39 1HD2 LEU 39 7.455 -2.148 1.638 268 HD23 LEU 39 2HD2 LEU 39 7.027 -3.505 0.585 269 H GLY 40 H GLY 40 12.886 -4.614 0.327 270 HA2 GLY 40 1HA GLY 40 13.083 -7.413 -0.044 271 HA3 GLY 40 2HA GLY 40 13.919 -6.451 1.177 272 H SER 41 H SER 41 13.282 -8.894 1.885 273 HA SER 41 HA SER 41 10.762 -9.360 3.153 274 HB3 SER 41 2HB SER 41 13.427 -10.398 4.177 275 HG SER 41 HG SER 41 11.562 -11.334 5.042 276 H HIS 42 H HIS 42 9.912 -8.084 4.765 277 HA HIS 42 HA HIS 42 9.633 -6.799 6.492 278 HB3 HIS 42 2HB HIS 42 11.610 -6.765 8.286 279 HD1 HIS 42 1HD HIS 42 9.671 -6.888 10.035 280 HD2 HIS 42 2HD HIS 42 9.617 -9.906 7.080 281 HE1 HIS 42 1HE HIS 42 7.652 -8.319 10.516 282 H ASP 43 H ASP 43 10.886 -5.706 3.991 283 HA ASP 43 HA ASP 43 12.275 -3.313 5.032 284 HB3 ASP 43 2HB ASP 43 11.405 -3.903 2.181 285 H SER 44 H SER 44 11.554 -1.352 3.894 286 HA SER 44 HA SER 44 8.699 -1.003 3.456 287 HB3 SER 44 2HB SER 44 8.595 -0.866 5.829 288 HG SER 44 HG SER 44 10.424 1.312 5.757 289 H ILE 45 H ILE 45 8.083 1.121 2.672 290 HA ILE 45 HA ILE 45 10.213 3.037 2.119 291 HB ILE 45 HB ILE 45 10.319 1.649 0.126 292 HG13 ILE 45 2HG1 ILE 45 10.618 4.104 0.012 293 HG21 ILE 45 1HG2 ILE 45 8.029 0.675 0.176 294 HG22 ILE 45 2HG2 ILE 45 7.385 2.236 -0.394 295 HG23 ILE 45 3HG2 ILE 45 8.486 1.290 -1.405 296 HD11 ILE 45 3HD1 ILE 45 11.072 2.759 -2.031 297 HD12 ILE 45 1HD1 ILE 45 9.388 3.040 -2.552 298 HD13 ILE 45 2HD1 ILE 45 10.499 4.403 -2.379 299 H ASP 46 H ASP 46 9.396 5.099 1.950 300 HA ASP 46 HA ASP 46 6.483 5.476 2.246 301 HB3 ASP 46 2HB ASP 46 7.033 6.132 4.347 302 H PHE 47 H PHE 47 5.577 6.861 0.828 303 HA PHE 47 HA PHE 47 7.337 8.574 -0.824 304 HB3 PHE 47 2HB PHE 47 7.324 6.683 -2.196 305 HD1 PHE 47 2HD PHE 47 6.650 4.674 -1.024 306 HD2 PHE 47 1HD PHE 47 3.837 7.111 -3.177 307 HE1 PHE 47 2HE PHE 47 5.047 2.769 -1.064 308 HE2 PHE 47 1HE PHE 47 2.248 5.172 -3.284 309 HZ PHE 47 HZ PHE 47 2.854 3.064 -2.130 310 H SER 48 H SER 48 6.151 10.351 -1.927 311 HA SER 48 HA SER 48 3.893 11.185 -0.405 312 HB3 SER 48 2HB SER 48 5.905 12.493 -1.468 313 HG SER 48 HG SER 48 4.782 13.571 -3.381 314 H SER 49 H SER 49 1.800 11.709 -1.378 315 HA SER 49 HA SER 49 0.969 9.750 -3.419 316 HB3 SER 49 2HB SER 49 -1.035 9.652 -2.424 317 HG SER 49 HG SER 49 0.220 11.012 -0.295 318 H ASP 50 H ASP 50 -1.240 11.608 -4.241 319 HA ASP 50 HA ASP 50 0.050 14.026 -5.204 320 HB3 ASP 50 2HB ASP 50 -1.009 12.024 -7.185 321 H ALA 51 H ALA 51 -1.721 13.996 -3.333 322 HA ALA 51 HA ALA 51 -4.079 15.233 -4.389 323 HB1 ALA 51 1HB ALA 51 -5.226 13.333 -4.820 324 HB2 ALA 51 2HB ALA 51 -4.148 12.305 -3.854 325 HB3 ALA 51 3HB ALA 51 -5.426 13.249 -3.063 326 H GLY 52 H GLY 52 -4.940 16.472 -2.743 327 HA2 GLY 52 1HA GLY 52 -3.554 16.869 -0.348 328 HA3 GLY 52 2HA GLY 52 -5.220 17.373 -0.649 329 H SER 53 H SER 53 -6.052 14.487 -1.053 330 HA SER 53 HA SER 53 -5.862 13.261 1.542 331 HB3 SER 53 2HB SER 53 -7.327 14.912 2.262 332 HG SER 53 HG SER 53 -9.016 15.749 1.161 333 H VAL 54 H VAL 54 -7.306 11.291 1.609 334 HA VAL 54 HA VAL 54 -8.234 10.232 -0.913 335 HB VAL 54 HB VAL 54 -6.047 9.675 -1.239 336 HG11 VAL 54 1HG1 VAL 54 -5.587 8.746 1.628 337 HG12 VAL 54 2HG1 VAL 54 -4.407 8.819 0.268 338 HG13 VAL 54 3HG1 VAL 54 -5.029 10.293 0.946 339 HG21 VAL 54 3HG2 VAL 54 -5.869 7.226 -0.918 340 HG22 VAL 54 1HG2 VAL 54 -7.054 7.262 0.363 341 HG23 VAL 54 2HG2 VAL 54 -7.520 7.649 -1.314 342 H TYR 55 H TYR 55 -9.620 8.582 -0.711 343 HA TYR 55 HA TYR 55 -10.338 7.560 1.971 344 HB3 TYR 55 2HB TYR 55 -11.987 8.959 1.776 345 HD1 TYR 55 2HD TYR 55 -11.860 7.620 -1.774 346 HD2 TYR 55 1HD TYR 55 -12.756 10.921 0.823 347 HE1 TYR 55 2HE TYR 55 -12.315 9.035 -3.768 348 HE2 TYR 55 1HE TYR 55 -13.330 12.335 -1.121 349 HH TYR 55 HH TYR 55 -13.140 12.546 -3.516 350 H LYS 56 H LYS 56 -8.848 6.454 -0.735 351 HA LYS 56 HA LYS 56 -10.121 3.832 -0.597 352 HB3 LYS 56 2HB LYS 56 -11.382 4.853 -2.396 353 HG3 LYS 56 2HG LYS 56 -8.721 5.426 -3.802 354 HD3 LYS 56 2HD LYS 56 -10.398 6.829 -5.241 355 HE3 LYS 56 2HE LYS 56 -9.013 4.868 -6.101 356 HZ1 LYS 56 3HZ LYS 56 -11.416 3.374 -5.302 357 HZ2 LYS 56 1HZ LYS 56 -9.838 2.853 -5.323 358 HZ3 LYS 56 2HZ LYS 56 -10.662 2.984 -6.688 359 H MET 57 H MET 57 -8.678 2.104 -1.579 360 HA MET 57 HA MET 57 -6.047 2.997 -2.488 361 HB3 MET 57 2HB MET 57 -6.474 1.614 0.201 362 HG3 MET 57 2HG MET 57 -3.944 1.684 -1.458 363 HE1 MET 57 3HE MET 57 -2.119 3.631 1.287 364 HE2 MET 57 1HE MET 57 -1.807 2.938 -0.316 365 HE3 MET 57 2HE MET 57 -3.288 3.897 -0.027 366 H ASP 58 H ASP 58 -5.479 1.629 -4.089 367 HA ASP 58 HA ASP 58 -6.617 -1.126 -4.174 368 HB3 ASP 58 2HB ASP 58 -6.853 -0.849 -6.590 369 H VAL 59 H VAL 59 -4.863 -2.288 -3.638 370 HA VAL 59 HA VAL 59 -2.218 -1.708 -4.860 371 HB VAL 59 HB VAL 59 -2.965 -3.749 -2.724 372 HG11 VAL 59 3HG2 VAL 59 -0.319 -2.495 -3.607 373 HG12 VAL 59 1HG2 VAL 59 -0.503 -3.589 -2.236 374 HG13 VAL 59 2HG2 VAL 59 -0.815 -4.175 -3.873 375 HG21 VAL 59 1HG1 VAL 59 -3.531 -1.591 -1.758 376 HG22 VAL 59 2HG1 VAL 59 -2.030 -2.177 -1.045 377 HG23 VAL 59 3HG1 VAL 59 -1.980 -0.900 -2.282 378 H THR 60 H THR 60 -1.219 -3.378 -6.127 379 HA THR 60 HA THR 60 -2.413 -5.941 -6.461 380 HB THR 60 HB THR 60 -4.011 -4.997 -7.853 381 HG1 THR 60 1HG THR 60 -3.693 -5.937 -9.675 382 HG21 THR 60 3HG2 THR 60 -3.679 -3.445 -9.624 383 HG22 THR 60 1HG2 THR 60 -1.950 -3.351 -9.269 384 HG23 THR 60 2HG2 THR 60 -3.147 -2.759 -8.071 385 H GLY 61 H GLY 61 -0.515 -6.967 -6.076 386 HA2 GLY 61 1HA GLY 61 1.873 -6.233 -7.722 387 HA3 GLY 61 2HA GLY 61 2.007 -6.240 -5.961 388 H THR 62 H THR 62 3.762 -7.918 -7.000 389 HA THR 62 HA THR 62 2.548 -10.593 -6.778 390 HB THR 62 HB THR 62 4.899 -10.197 -8.573 391 HG1 THR 62 1HG THR 62 3.727 -9.684 -10.298 392 HG21 THR 62 3HG2 THR 62 2.451 -12.040 -8.620 393 HG22 THR 62 1HG2 THR 62 4.059 -12.428 -8.041 394 HG23 THR 62 2HG2 THR 62 3.814 -12.109 -9.761 395 H THR 63 H THR 63 3.771 -12.116 -5.517 396 HA THR 63 HA THR 63 6.035 -11.153 -3.979 397 HB THR 63 HB THR 63 5.982 -13.190 -2.890 398 HG1 THR 63 1HG THR 63 5.013 -14.968 -3.624 399 HG21 THR 63 3HG2 THR 63 3.770 -13.437 -2.133 400 HG22 THR 63 1HG2 THR 63 3.045 -12.761 -3.577 401 HG23 THR 63 2HG2 THR 63 3.972 -11.702 -2.487 402 H GLN 64 H GLN 64 7.979 -12.360 -3.739 403 HA GLN 64 HA GLN 64 9.670 -12.795 -5.881 404 HB3 GLN 64 2HB GLN 64 9.478 -14.237 -3.263 405 HG3 GLN 64 2HG GLN 64 12.165 -13.754 -4.405 406 HE21 GLN 64 1HE2 GLN 64 9.749 -16.499 -3.826 407 HE22 GLN 64 2HE2 GLN 64 10.752 -17.215 -2.629 408 H SER 65 H SER 65 7.419 -15.228 -4.380 409 HA SER 65 HA SER 65 8.292 -17.251 -6.283 410 HB3 SER 65 2HB SER 65 6.784 -18.682 -5.106 411 HG SER 65 HG SER 65 8.449 -18.511 -3.821 412 H GLY 66 H GLY 66 6.000 -14.690 -6.561 413 HA2 GLY 66 1HA GLY 66 5.218 -14.311 -8.826 414 HA3 GLY 66 2HA GLY 66 4.849 -16.014 -8.987 415 H GLU 67 H GLU 67 3.957 -14.998 -5.828 416 HA GLU 67 HA GLU 67 1.243 -15.444 -6.622 417 HB3 GLU 67 2HB GLU 67 0.801 -15.232 -4.134 418 HG3 GLU 67 2HG GLU 67 3.058 -17.041 -5.049 419 H LYS 68 H LYS 68 -0.070 -14.092 -7.273 420 HA LYS 68 HA LYS 68 0.451 -11.203 -7.166 421 HB3 LYS 68 2HB LYS 68 -1.715 -12.762 -8.609 422 HG3 LYS 68 2HG LYS 68 -0.941 -9.864 -8.536 423 HD3 LYS 68 2HD LYS 68 -1.903 -11.423 -10.940 424 HE3 LYS 68 2HE LYS 68 -2.507 -9.037 -11.834 425 HZ1 LYS 68 3HZ LYS 68 -4.778 -9.370 -11.263 426 HZ2 LYS 68 1HZ LYS 68 -4.428 -10.377 -10.030 427 HZ3 LYS 68 2HZ LYS 68 -4.093 -10.857 -11.552 428 H PHE 69 H PHE 69 -0.563 -9.896 -5.810 429 HA PHE 69 HA PHE 69 -2.796 -10.901 -4.120 430 HB3 PHE 69 2HB PHE 69 -0.814 -10.925 -2.809 431 HD1 PHE 69 1HD PHE 69 -0.966 -7.200 -3.005 432 HD2 PHE 69 2HD PHE 69 1.397 -10.712 -3.759 433 HE1 PHE 69 1HE PHE 69 1.096 -5.796 -3.146 434 HE2 PHE 69 2HE PHE 69 3.439 -9.293 -3.910 435 HZ PHE 69 HZ PHE 69 3.282 -6.833 -3.590 436 H THR 70 H THR 70 -4.301 -9.198 -3.488 437 HA THR 70 HA THR 70 -3.903 -6.536 -4.637 438 HB THR 70 HB THR 70 -6.191 -6.404 -5.532 439 HG1 THR 70 1HG THR 70 -6.167 -9.135 -4.864 440 HG21 THR 70 3HG2 THR 70 -4.709 -8.609 -7.000 441 HG22 THR 70 1HG2 THR 70 -4.259 -6.900 -7.004 442 HG23 THR 70 2HG2 THR 70 -5.826 -7.380 -7.644 443 H GLY 71 H GLY 71 -5.155 -4.938 -3.753 444 HA2 GLY 71 1HA GLY 71 -6.190 -5.509 -0.997 445 HA3 GLY 71 2HA GLY 71 -5.673 -3.956 -1.645 446 H HIS 72 H HIS 72 -7.080 -2.815 -3.042 447 HA HIS 72 HA HIS 72 -8.947 -1.901 -3.736 448 HB3 HIS 72 2HB HIS 72 -10.760 -3.194 -4.591 449 HD1 HIS 72 1HD HIS 72 -8.714 -2.178 -6.294 450 HD2 HIS 72 2HD HIS 72 -8.995 -6.248 -5.285 451 HE1 HIS 72 1HE HIS 72 -7.299 -3.462 -8.016 452 H PHE 73 H PHE 73 -8.850 -0.792 -1.708 453 HA PHE 73 HA PHE 73 -10.926 -1.470 0.309 454 HB3 PHE 73 2HB PHE 73 -9.575 -0.151 1.849 455 HD1 PHE 73 1HD PHE 73 -9.788 -2.766 2.347 456 HD2 PHE 73 2HD PHE 73 -6.538 -0.958 0.166 457 HE1 PHE 73 1HE PHE 73 -8.361 -4.734 2.833 458 HE2 PHE 73 2HE PHE 73 -5.100 -2.885 0.729 459 HZ PHE 73 HZ PHE 73 -6.032 -4.804 2.033 460 H LYS 74 H LYS 74 -11.865 0.442 1.417 461 HA LYS 74 HA LYS 74 -12.324 2.858 -0.206 462 HB3 LYS 74 2HB LYS 74 -14.883 2.166 0.264 463 HG3 LYS 74 2HG LYS 74 -13.043 1.388 -1.945 464 HD3 LYS 74 2HD LYS 74 -15.968 0.613 -2.112 465 HE3 LYS 74 2HE LYS 74 -15.140 -0.651 -4.104 466 HZ1 LYS 74 3HZ LYS 74 -14.408 1.227 -5.465 467 HZ2 LYS 74 1HZ LYS 74 -14.259 2.177 -4.165 468 HZ3 LYS 74 2HZ LYS 74 -15.742 1.635 -4.596 469 H GLY 75 H GLY 75 -13.774 4.337 1.098 470 HA2 GLY 75 1HA GLY 75 -14.572 5.327 2.928 471 HA3 GLY 75 2HA GLY 75 -14.667 3.730 3.689 472 H LEU 76 H LEU 76 -11.683 5.334 2.620 473 HA LEU 76 HA LEU 76 -10.526 4.791 5.272 474 HB3 LEU 76 2HB LEU 76 -8.420 5.485 4.255 475 HG LEU 76 HG LEU 76 -9.951 3.863 2.154 476 HD11 LEU 76 1HD1 LEU 76 -7.779 3.008 1.516 477 HD12 LEU 76 2HD1 LEU 76 -6.993 3.952 2.788 478 HD13 LEU 76 3HD1 LEU 76 -7.759 4.780 1.425 479 HD21 LEU 76 3HD2 LEU 76 -10.136 2.724 4.345 480 HD22 LEU 76 1HD2 LEU 76 -8.371 2.815 4.523 481 HD23 LEU 76 2HD2 LEU 76 -9.096 1.834 3.230 482 H VAL 77 H VAL 77 -9.222 6.482 6.401 483 HA VAL 77 HA VAL 77 -10.089 9.275 6.134 484 HB VAL 77 HB VAL 77 -10.517 9.273 8.682 485 HG11 VAL 77 1HG1 VAL 77 -12.546 7.925 6.893 486 HG12 VAL 77 2HG1 VAL 77 -12.857 8.756 8.435 487 HG13 VAL 77 3HG1 VAL 77 -12.244 9.674 7.056 488 HG21 VAL 77 3HG2 VAL 77 -10.973 6.273 8.256 489 HG22 VAL 77 1HG2 VAL 77 -9.762 7.040 9.315 490 HG23 VAL 77 2HG2 VAL 77 -11.472 7.223 9.672 491 H GLY 78 H GLY 78 -8.876 10.641 7.782 492 HA2 GLY 78 1HA GLY 78 -7.023 11.130 9.097 493 HA3 GLY 78 2HA GLY 78 -6.310 9.550 8.712 494 H LYS 79 H LYS 79 -4.678 11.787 8.573 495 HA LYS 79 HA LYS 79 -4.589 12.667 5.760 496 HB3 LYS 79 2HB LYS 79 -2.943 13.725 8.078 497 HG3 LYS 79 2HG LYS 79 -4.143 14.917 5.536 498 HD3 LYS 79 2HD LYS 79 -3.470 16.221 8.090 499 HE3 LYS 79 2HE LYS 79 -2.035 17.140 5.580 500 HZ1 LYS 79 3HZ LYS 79 -2.152 18.436 8.257 501 HZ2 LYS 79 1HZ LYS 79 -2.919 18.968 6.907 502 HZ3 LYS 79 2HZ LYS 79 -1.288 18.962 6.983 503 H ASP 80 H ASP 80 -3.837 9.920 6.452 504 HA ASP 80 HA ASP 80 -1.571 9.687 4.830 505 HB3 ASP 80 2HB ASP 80 -0.141 10.092 6.709 506 H THR 81 H THR 81 -1.009 7.207 4.784 507 HA THR 81 HA THR 81 -3.057 5.327 5.449 508 HB THR 81 HB THR 81 -2.446 5.540 2.518 509 HG1 THR 81 1HG THR 81 -3.207 7.584 2.822 510 HG21 THR 81 3HG2 THR 81 -4.676 4.554 2.286 511 HG22 THR 81 1HG2 THR 81 -4.967 4.770 4.024 512 HG23 THR 81 2HG2 THR 81 -3.738 3.620 3.469 513 H ARG 82 H ARG 82 -2.164 3.143 4.655 514 HA ARG 82 HA ARG 82 0.385 2.979 3.441 515 HB3 ARG 82 2HB ARG 82 1.529 3.463 5.444 516 HG3 ARG 82 2HG ARG 82 -0.661 2.068 6.943 517 HD3 ARG 82 2HD ARG 82 1.736 1.782 7.862 518 HE ARG 82 HE ARG 82 2.051 4.434 7.358 519 HH11 ARG 82 1HH1 ARG 82 1.255 3.159 10.510 520 HH12 ARG 82 2HH1 ARG 82 2.268 4.217 11.386 521 HH21 ARG 82 1HH2 ARG 82 3.321 5.961 8.466 522 HH22 ARG 82 2HH2 ARG 82 3.382 5.909 10.202 523 H VAL 83 H VAL 83 1.100 0.531 3.745 524 HA VAL 83 HA VAL 83 -1.357 -1.167 3.486 525 HB VAL 83 HB VAL 83 1.162 -1.134 1.800 526 HG11 VAL 83 1HG1 VAL 83 0.009 -2.858 0.410 527 HG12 VAL 83 2HG1 VAL 83 0.380 -3.433 2.032 528 HG13 VAL 83 3HG1 VAL 83 -1.286 -2.949 1.634 529 HG21 VAL 83 3HG2 VAL 83 -0.399 0.699 1.203 530 HG22 VAL 83 1HG2 VAL 83 -0.281 -0.514 -0.076 531 HG23 VAL 83 2HG2 VAL 83 -1.695 -0.500 0.998 532 H PHE 84 H PHE 84 -1.322 -2.853 4.893 533 HA PHE 84 HA PHE 84 1.325 -3.775 5.953 534 HB3 PHE 84 2HB PHE 84 -0.064 -5.073 7.559 535 HD1 PHE 84 1HD PHE 84 1.543 -2.277 7.235 536 HD2 PHE 84 2HD PHE 84 -1.910 -3.596 9.413 537 HE1 PHE 84 1HE PHE 84 1.704 -0.265 8.666 538 HE2 PHE 84 2HE PHE 84 -1.574 -1.795 11.034 539 HZ PHE 84 HZ PHE 84 0.187 -0.066 10.661 540 H ILE 85 H ILE 85 2.262 -5.295 4.902 541 HA ILE 85 HA ILE 85 0.684 -7.191 3.261 542 HB ILE 85 HB ILE 85 3.684 -6.964 3.178 543 HG13 ILE 85 2HG1 ILE 85 2.941 -4.705 2.490 544 HG21 ILE 85 1HG2 ILE 85 2.275 -8.945 2.287 545 HG22 ILE 85 2HG2 ILE 85 1.695 -7.837 1.049 546 HG23 ILE 85 3HG2 ILE 85 3.440 -8.222 1.178 547 HD11 ILE 85 3HD1 ILE 85 4.731 -5.906 1.039 548 HD12 ILE 85 1HD1 ILE 85 3.426 -6.152 -0.135 549 HD13 ILE 85 2HD1 ILE 85 3.911 -4.508 0.355 550 H GLU 86 H GLU 86 0.375 -9.088 4.036 551 HA GLU 86 HA GLU 86 2.199 -10.341 5.893 552 HB3 GLU 86 2HB GLU 86 0.833 -9.054 7.473 553 HG3 GLU 86 2HG GLU 86 -1.533 -10.283 6.014 554 H LEU 87 H LEU 87 0.775 -12.505 6.558 555 HA LEU 87 HA LEU 87 -0.425 -13.591 4.072 556 HB3 LEU 87 2HB LEU 87 0.475 -15.706 4.551 557 HG LEU 87 HG LEU 87 2.714 -13.742 5.234 558 HD11 LEU 87 1HD1 LEU 87 4.278 -15.570 4.785 559 HD12 LEU 87 2HD1 LEU 87 2.929 -16.700 4.606 560 HD13 LEU 87 3HD1 LEU 87 3.244 -15.924 6.171 561 HD21 LEU 87 3HD2 LEU 87 1.812 -13.508 2.944 562 HD22 LEU 87 1HD2 LEU 87 2.068 -15.246 2.671 563 HD23 LEU 87 2HD2 LEU 87 3.457 -14.171 2.942 564 H ASP 88 H ASP 88 -2.069 -15.284 4.622 565 HA ASP 88 HA ASP 88 -2.942 -15.631 7.334 566 HB3 ASP 88 2HB ASP 88 -4.999 -14.523 5.380 567 H GLU 89 H GLU 89 -5.099 -17.121 7.018 568 HA GLU 89 HA GLU 89 -6.156 -18.917 6.296 569 HB3 GLU 89 2HB GLU 89 -6.509 -19.280 3.946 570 HG3 GLU 89 2HG GLU 89 -6.771 -16.961 2.945 571 H ASN 90 H ASN 90 -3.495 -19.163 4.057 572 HA ASN 90 HA ASN 90 -2.464 -21.675 5.270 573 HB3 ASN 90 2HB ASN 90 -2.890 -23.028 3.446 574 HD21 ASN 90 1HD2 ASN 90 -4.983 -20.739 1.942 575 HD22 ASN 90 2HD2 ASN 90 -6.497 -21.335 2.654 576 H ALA 91 H ALA 91 -1.336 -19.108 5.165 577 HA ALA 91 HA ALA 91 0.375 -17.823 4.614 578 HB1 ALA 91 1HB ALA 91 1.838 -19.766 4.912 579 HB2 ALA 91 2HB ALA 91 1.641 -20.196 3.194 580 HB3 ALA 91 3HB ALA 91 2.435 -18.683 3.640 581 H ASP 92 H ASP 92 -1.979 -17.733 3.183 582 HA ASP 92 HA ASP 92 -1.423 -17.339 0.278 583 HB3 ASP 92 2HB ASP 92 -3.812 -16.361 0.473 584 H VAL 93 H VAL 93 -1.575 -15.162 -0.553 585 HA VAL 93 HA VAL 93 -0.431 -13.379 1.456 586 HB VAL 93 HB VAL 93 -0.332 -13.238 -1.590 587 HG11 VAL 93 1HG1 VAL 93 1.165 -11.758 0.608 588 HG12 VAL 93 2HG1 VAL 93 1.604 -11.732 -1.135 589 HG13 VAL 93 3HG1 VAL 93 0.062 -11.048 -0.582 590 HG21 VAL 93 3HG2 VAL 93 2.071 -14.056 -1.115 591 HG22 VAL 93 1HG2 VAL 93 1.509 -14.469 0.498 592 HG23 VAL 93 2HG2 VAL 93 0.790 -15.252 -0.915 593 H GLN 94 H GLN 94 -1.822 -12.179 2.492 594 HA GLN 94 HA GLN 94 -4.238 -11.158 1.132 595 HB3 GLN 94 2HB GLN 94 -4.971 -10.434 3.300 596 HG3 GLN 94 2HG GLN 94 -5.078 -12.371 4.592 597 HE21 GLN 94 1HE2 GLN 94 -3.718 -14.687 2.614 598 HE22 GLN 94 2HE2 GLN 94 -5.024 -14.899 1.471 599 H VAL 95 H VAL 95 -4.855 -8.936 1.764 600 HA VAL 95 HA VAL 95 -2.601 -7.137 2.126 601 HB VAL 95 HB VAL 95 -4.917 -6.493 0.284 602 HG11 VAL 95 1HG1 VAL 95 -2.350 -4.895 0.534 603 HG12 VAL 95 2HG1 VAL 95 -3.825 -4.462 -0.310 604 HG13 VAL 95 3HG1 VAL 95 -3.802 -4.508 1.466 605 HG21 VAL 95 3HG2 VAL 95 -3.583 -8.074 -0.925 606 HG22 VAL 95 1HG2 VAL 95 -3.091 -6.486 -1.545 607 HG23 VAL 95 2HG2 VAL 95 -2.086 -7.356 -0.361 608 H PHE 96 H PHE 96 -2.863 -5.655 3.721 609 HA PHE 96 HA PHE 96 -5.521 -5.376 4.946 610 HB3 PHE 96 2HB PHE 96 -2.976 -6.060 6.473 611 HD1 PHE 96 1HD PHE 96 -6.654 -6.828 6.695 612 HD2 PHE 96 2HD PHE 96 -3.289 -4.830 8.493 613 HE1 PHE 96 1HE PHE 96 -8.077 -6.142 8.592 614 HE2 PHE 96 2HE PHE 96 -4.707 -4.193 10.427 615 HZ PHE 96 HZ PHE 96 -7.132 -4.843 10.464 616 H ILE 97 H ILE 97 -5.344 -3.617 6.674 617 HA ILE 97 HA ILE 97 -3.277 -1.648 6.273 618 HB ILE 97 HB ILE 97 -5.145 0.116 5.816 619 HG13 ILE 97 2HG1 ILE 97 -7.088 -1.474 6.013 620 HG21 ILE 97 1HG2 ILE 97 -4.515 0.263 3.626 621 HG22 ILE 97 2HG2 ILE 97 -3.278 -0.830 4.244 622 HG23 ILE 97 3HG2 ILE 97 -4.620 -1.509 3.336 623 HD11 ILE 97 3HD1 ILE 97 -7.213 0.659 4.667 624 HD12 ILE 97 1HD1 ILE 97 -6.809 -0.298 3.228 625 HD13 ILE 97 2HD1 ILE 97 -8.323 -0.622 4.109 626 HA PRO 98 HA PRO 98 -4.601 -0.792 10.432 627 HB3 PRO 98 2HB PRO 98 -2.601 0.246 10.887 628 HG3 PRO 98 2HG PRO 98 -1.399 1.303 9.158 629 HD3 PRO 98 2HD PRO 98 -1.950 -0.709 8.016 630 H GLN 99 H GLN 99 -6.689 -0.209 10.889 631 HA GLN 99 HA GLN 99 -7.853 2.290 9.855 632 HB3 GLN 99 2HB GLN 99 -9.968 0.914 9.394 633 HG3 GLN 99 2HG GLN 99 -9.382 0.106 7.170 634 HE21 GLN 99 1HE2 GLN 99 -6.784 2.384 7.369 635 HE22 GLN 99 2HE2 GLN 99 -7.751 3.806 6.986 636 H GLY 100 H GLY 100 -9.943 2.701 10.999 637 HA2 GLY 100 1HA GLY 100 -11.531 1.465 12.473 638 HA3 GLY 100 2HA GLY 100 -10.214 1.373 13.650 639 H GLU 101 H GLU 101 -9.270 3.431 14.377 640 HA GLU 101 HA GLU 101 -11.260 5.616 14.444 641 HB3 GLU 101 2HB GLU 101 -10.848 5.727 16.864 642 HG3 GLU 101 2HG GLU 101 -12.627 4.105 15.982 643 H ILE 102 H ILE 102 -8.700 5.195 13.130 644 HA ILE 102 HA ILE 102 -6.752 7.092 14.229 645 HB ILE 102 HB ILE 102 -5.508 6.639 12.099 646 HG13 ILE 102 2HG1 ILE 102 -7.554 6.008 10.713 647 HG21 ILE 102 1HG2 ILE 102 -4.790 4.435 12.834 648 HG22 ILE 102 2HG2 ILE 102 -5.166 5.469 14.227 649 HG23 ILE 102 3HG2 ILE 102 -6.323 4.209 13.727 650 HD11 ILE 102 3HD1 ILE 102 -5.382 3.879 10.688 651 HD12 ILE 102 1HD1 ILE 102 -6.503 4.279 9.392 652 HD13 ILE 102 2HD1 ILE 102 -5.278 5.459 9.876 653 H ASP 103 H ASP 103 -8.918 8.480 14.216 654 HA ASP 103 HA ASP 103 -8.569 10.418 12.075 655 HB3 ASP 103 2HB ASP 103 -10.725 9.025 11.784 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -1.230 25.227 7.106 2 HA2 GLY 1 1HA GLY 1 -2.027 23.996 5.140 3 HA3 GLY 1 2HA GLY 1 -3.452 25.045 5.147 4 H ALA 2 H ALA 2 -2.771 25.560 2.869 5 HA ALA 2 HA ALA 2 -1.157 27.966 2.800 6 HB1 ALA 2 1HB ALA 2 0.320 27.197 1.061 7 HB2 ALA 2 2HB ALA 2 0.488 26.090 2.417 8 HB3 ALA 2 3HB ALA 2 -0.460 25.601 0.995 9 H GLN 3 H GLN 3 -1.248 27.929 -0.224 10 HA GLN 3 HA GLN 3 -4.170 28.249 -0.626 11 HB3 GLN 3 2HB GLN 3 -1.840 28.715 -2.553 12 HG3 GLN 3 2HG GLN 3 -3.701 30.084 -3.717 13 HE21 GLN 3 1HE2 GLN 3 -5.734 27.433 -4.124 14 HE22 GLN 3 2HE2 GLN 3 -4.779 26.648 -5.361 15 H ASP 4 H ASP 4 -1.670 26.585 -2.699 16 HA ASP 4 HA ASP 4 -2.608 24.002 -1.903 17 HB3 ASP 4 2HB ASP 4 -2.939 24.598 -4.848 18 H GLY 5 H GLY 5 -0.607 24.066 -1.121 19 HA2 GLY 5 1HA GLY 5 1.655 23.974 -3.067 20 HA3 GLY 5 2HA GLY 5 1.769 24.938 -1.581 21 H LYS 6 H LYS 6 2.041 23.852 0.383 22 HA LYS 6 HA LYS 6 2.788 21.050 0.343 23 HB3 LYS 6 2HB LYS 6 3.146 21.464 2.784 24 HG3 LYS 6 2HG LYS 6 4.364 23.475 0.823 25 HD3 LYS 6 2HD LYS 6 4.643 24.370 3.078 26 HE3 LYS 6 2HE LYS 6 5.763 21.588 3.668 27 HZ1 LYS 6 3HZ LYS 6 7.097 23.068 4.826 28 HZ2 LYS 6 1HZ LYS 6 5.968 22.578 5.928 29 HZ3 LYS 6 2HZ LYS 6 5.862 24.065 5.253 30 H GLU 7 H GLU 7 0.514 20.536 -0.567 31 HA GLU 7 HA GLU 7 -1.268 19.838 1.692 32 HB3 GLU 7 2HB GLU 7 -2.197 20.928 -1.013 33 HG3 GLU 7 2HG GLU 7 -3.602 20.250 1.587 34 H THR 8 H THR 8 0.682 18.255 0.350 35 HA THR 8 HA THR 8 -0.949 16.283 -1.183 36 HB THR 8 HB THR 8 1.329 15.430 -1.828 37 HG1 THR 8 1HG THR 8 3.073 16.713 -1.355 38 HG21 THR 8 3HG2 THR 8 1.718 17.214 -3.413 39 HG22 THR 8 1HG2 THR 8 0.755 18.352 -2.448 40 HG23 THR 8 2HG2 THR 8 -0.007 16.957 -3.233 41 H THR 9 H THR 9 -0.218 13.857 -0.890 42 HA THR 9 HA THR 9 -0.449 13.303 1.994 43 HB THR 9 HB THR 9 -1.116 10.983 0.908 44 HG1 THR 9 1HG THR 9 -0.714 11.255 -1.151 45 HG21 THR 9 3HG2 THR 9 -2.559 12.412 2.159 46 HG22 THR 9 1HG2 THR 9 -3.414 11.755 0.777 47 HG23 THR 9 2HG2 THR 9 -2.850 13.456 0.736 48 H THR 10 H THR 10 0.442 11.068 2.605 49 HA THR 10 HA THR 10 2.945 10.527 1.154 50 HB THR 10 HB THR 10 2.718 10.194 4.162 51 HG1 THR 10 1HG THR 10 2.373 12.371 3.694 52 HG21 THR 10 3HG2 THR 10 5.114 10.553 2.289 53 HG22 THR 10 1HG2 THR 10 4.610 9.033 3.058 54 HG23 THR 10 2HG2 THR 10 5.190 10.359 4.060 55 H ILE 11 H ILE 11 3.536 8.267 1.006 56 HA ILE 11 HA ILE 11 1.581 6.336 2.113 57 HB ILE 11 HB ILE 11 2.774 6.426 -0.688 58 HG13 ILE 11 2HG1 ILE 11 0.613 7.705 -0.171 59 HG21 ILE 11 1HG2 ILE 11 2.973 4.124 0.067 60 HG22 ILE 11 2HG2 ILE 11 1.308 4.124 0.701 61 HG23 ILE 11 3HG2 ILE 11 1.625 4.205 -1.041 62 HD11 ILE 11 3HD1 ILE 11 0.067 5.420 -2.068 63 HD12 ILE 11 1HD1 ILE 11 -0.566 7.074 -2.083 64 HD13 ILE 11 2HD1 ILE 11 1.146 6.788 -2.467 65 H ARG 12 H ARG 12 2.587 4.410 2.779 66 HA ARG 12 HA ARG 12 5.424 4.053 2.212 67 HB3 ARG 12 2HB ARG 12 4.288 3.480 4.954 68 HG3 ARG 12 2HG ARG 12 7.231 3.668 4.226 69 HD3 ARG 12 2HD ARG 12 7.403 1.983 6.054 70 HE ARG 12 HE ARG 12 6.518 4.694 6.540 71 HH11 ARG 12 1HH1 ARG 12 7.710 1.812 8.197 72 HH12 ARG 12 2HH1 ARG 12 7.402 2.375 9.778 73 HH21 ARG 12 1HH2 ARG 12 6.410 5.616 8.647 74 HH22 ARG 12 2HH2 ARG 12 7.108 4.688 9.954 75 H LEU 13 H LEU 13 5.785 2.033 1.621 76 HA LEU 13 HA LEU 13 3.631 -0.009 2.099 77 HB3 LEU 13 2HB LEU 13 5.238 -1.275 0.354 78 HG LEU 13 HG LEU 13 4.047 -0.204 -1.634 79 HD11 LEU 13 1HD1 LEU 13 2.656 -1.631 0.630 80 HD12 LEU 13 2HD1 LEU 13 3.348 -2.313 -0.841 81 HD13 LEU 13 3HD1 LEU 13 1.868 -1.338 -0.937 82 HD21 LEU 13 3HD2 LEU 13 3.450 1.934 -0.474 83 HD22 LEU 13 1HD2 LEU 13 2.294 1.043 0.513 84 HD23 LEU 13 2HD2 LEU 13 2.072 1.111 -1.244 85 H ILE 14 H ILE 14 4.028 -1.651 3.493 86 HA ILE 14 HA ILE 14 6.813 -2.218 4.279 87 HB ILE 14 HB ILE 14 4.387 -2.564 6.072 88 HG13 ILE 14 2HG1 ILE 14 6.129 -0.089 5.804 89 HG21 ILE 14 1HG2 ILE 14 6.492 -3.823 6.468 90 HG22 ILE 14 2HG2 ILE 14 7.372 -2.324 6.675 91 HG23 ILE 14 3HG2 ILE 14 6.060 -2.766 7.804 92 HD11 ILE 14 3HD1 ILE 14 3.132 -0.527 6.219 93 HD12 ILE 14 1HD1 ILE 14 3.894 1.009 6.538 94 HD13 ILE 14 2HD1 ILE 14 3.911 0.357 4.894 95 H ASN 15 H ASN 15 7.375 -4.161 3.450 96 HA ASN 15 HA ASN 15 5.369 -6.166 2.774 97 HB3 ASN 15 2HB ASN 15 8.418 -6.370 2.682 98 HD21 ASN 15 1HD2 ASN 15 9.206 -7.788 1.044 99 HD22 ASN 15 2HD2 ASN 15 8.293 -9.250 0.783 100 H GLN 16 H GLN 16 4.520 -6.715 5.072 101 HA GLN 16 HA GLN 16 6.554 -7.803 6.951 102 HB3 GLN 16 2HB GLN 16 4.965 -7.565 8.667 103 HG3 GLN 16 2HG GLN 16 4.623 -5.116 6.883 104 HE21 GLN 16 1HE2 GLN 16 2.440 -5.529 8.599 105 HE22 GLN 16 2HE2 GLN 16 2.627 -4.404 9.910 106 H THR 17 H THR 17 6.330 -9.448 4.818 107 HA THR 17 HA THR 17 4.665 -11.773 5.693 108 HB THR 17 HB THR 17 4.867 -12.428 3.248 109 HG1 THR 17 1HG THR 17 5.311 -10.563 1.883 110 HG21 THR 17 3HG2 THR 17 2.887 -11.420 2.762 111 HG22 THR 17 1HG2 THR 17 3.435 -9.808 3.405 112 HG23 THR 17 2HG2 THR 17 2.942 -11.140 4.454 113 H TYR 18 H TYR 18 5.844 -13.694 4.210 114 HA TYR 18 HA TYR 18 8.614 -13.898 5.260 115 HB3 TYR 18 2HB TYR 18 6.859 -15.671 5.702 116 HD1 TYR 18 2HD TYR 18 5.603 -15.145 2.920 117 HD2 TYR 18 1HD TYR 18 8.275 -18.218 4.303 118 HE1 TYR 18 2HE TYR 18 4.496 -16.789 1.420 119 HE2 TYR 18 1HE TYR 18 7.273 -19.818 2.716 120 HH TYR 18 HH TYR 18 4.368 -19.136 0.784 121 H PHE 19 H PHE 19 7.448 -12.663 2.382 122 HA PHE 19 HA PHE 19 9.491 -14.111 0.776 123 HB3 PHE 19 2HB PHE 19 7.426 -14.912 0.067 124 HD1 PHE 19 1HD PHE 19 7.090 -11.220 -0.774 125 HD2 PHE 19 2HD PHE 19 5.186 -14.826 0.603 126 HE1 PHE 19 1HE PHE 19 4.992 -9.985 -0.430 127 HE2 PHE 19 2HE PHE 19 3.129 -13.571 1.019 128 HZ PHE 19 HZ PHE 19 3.004 -11.132 0.462 129 H ASN 20 H ASN 20 9.965 -12.806 -1.312 130 HA ASN 20 HA ASN 20 10.418 -9.891 -0.798 131 HB3 ASN 20 2HB ASN 20 11.518 -11.900 -2.808 132 HD21 ASN 20 1HD2 ASN 20 12.289 -11.073 -4.806 133 HD22 ASN 20 2HD2 ASN 20 12.545 -9.369 -5.049 134 H VAL 21 H VAL 21 9.604 -8.337 -2.389 135 HA VAL 21 HA VAL 21 7.876 -9.423 -4.556 136 HB VAL 21 HB VAL 21 6.295 -7.523 -4.233 137 HG11 VAL 21 1HG1 VAL 21 5.050 -8.560 -2.330 138 HG12 VAL 21 2HG1 VAL 21 5.585 -9.686 -3.582 139 HG13 VAL 21 3HG1 VAL 21 6.464 -9.581 -2.051 140 HG21 VAL 21 3HG2 VAL 21 7.451 -7.361 -1.400 141 HG22 VAL 21 1HG2 VAL 21 7.771 -6.165 -2.644 142 HG23 VAL 21 2HG2 VAL 21 6.114 -6.405 -2.052 143 H LYS 22 H LYS 22 7.852 -8.154 -6.438 144 HA LYS 22 HA LYS 22 9.988 -6.080 -6.711 145 HB3 LYS 22 2HB LYS 22 10.978 -8.271 -7.087 146 HG3 LYS 22 2HG LYS 22 10.070 -9.366 -9.364 147 HD3 LYS 22 2HD LYS 22 8.962 -9.949 -6.585 148 HE3 LYS 22 2HE LYS 22 7.454 -10.733 -8.442 149 HZ1 LYS 22 3HZ LYS 22 9.159 -11.437 -10.057 150 HZ2 LYS 22 1HZ LYS 22 8.269 -12.750 -9.580 151 HZ3 LYS 22 2HZ LYS 22 9.772 -12.509 -9.009 152 H ASN 23 H ASN 23 6.987 -5.881 -6.853 153 HA ASN 23 HA ASN 23 6.700 -4.493 -9.302 154 HB3 ASN 23 2HB ASN 23 6.851 -6.655 -10.462 155 HD21 ASN 23 1HD2 ASN 23 4.522 -7.109 -7.773 156 HD22 ASN 23 2HD2 ASN 23 5.065 -8.798 -7.480 157 H ILE 24 H ILE 24 5.922 -3.573 -6.960 158 HA ILE 24 HA ILE 24 3.111 -4.408 -6.477 159 HB ILE 24 HB ILE 24 4.666 -2.445 -4.761 160 HG13 ILE 24 2HG1 ILE 24 4.899 -5.465 -4.850 161 HG21 ILE 24 1HG2 ILE 24 3.073 -3.242 -3.054 162 HG22 ILE 24 2HG2 ILE 24 2.236 -2.588 -4.455 163 HG23 ILE 24 3HG2 ILE 24 2.340 -4.348 -4.229 164 HD11 ILE 24 3HD1 ILE 24 6.830 -3.656 -5.387 165 HD12 ILE 24 1HD1 ILE 24 6.909 -3.570 -3.624 166 HD13 ILE 24 2HD1 ILE 24 7.183 -5.108 -4.471 167 H LYS 25 H LYS 25 1.619 -3.323 -7.547 168 HA LYS 25 HA LYS 25 1.988 -0.589 -8.614 169 HB3 LYS 25 2HB LYS 25 -0.735 -1.493 -8.714 170 HG3 LYS 25 2HG LYS 25 -0.166 -2.017 -11.168 171 HD3 LYS 25 2HD LYS 25 0.344 0.343 -11.787 172 HE3 LYS 25 2HE LYS 25 -1.624 1.423 -10.605 173 HZ1 LYS 25 3HZ LYS 25 -2.090 -1.233 -11.837 174 HZ2 LYS 25 1HZ LYS 25 -2.045 0.225 -12.600 175 HZ3 LYS 25 2HZ LYS 25 -3.236 -0.120 -11.529 176 H VAL 26 H VAL 26 1.160 1.243 -7.507 177 HA VAL 26 HA VAL 26 -0.380 0.759 -5.022 178 HB VAL 26 HB VAL 26 1.862 2.784 -5.584 179 HG11 VAL 26 1HG1 VAL 26 0.504 2.156 -2.986 180 HG12 VAL 26 2HG1 VAL 26 1.856 3.244 -3.214 181 HG13 VAL 26 3HG1 VAL 26 0.332 3.640 -3.967 182 HG21 VAL 26 3HG2 VAL 26 3.260 1.492 -4.031 183 HG22 VAL 26 1HG2 VAL 26 2.030 0.195 -4.033 184 HG23 VAL 26 2HG2 VAL 26 2.912 0.648 -5.526 185 H THR 27 H THR 27 -2.412 1.572 -5.590 186 HA THR 27 HA THR 27 -2.551 4.087 -7.174 187 HB THR 27 HB THR 27 -4.573 1.839 -6.942 188 HG1 THR 27 1HG THR 27 -3.610 0.806 -8.505 189 HG21 THR 27 3HG2 THR 27 -5.465 2.732 -9.030 190 HG22 THR 27 1HG2 THR 27 -4.176 3.942 -9.118 191 HG23 THR 27 2HG2 THR 27 -5.387 4.038 -7.831 192 H TRP 28 H TRP 28 -3.660 5.825 -6.169 193 HA TRP 28 HA TRP 28 -4.984 5.285 -3.512 194 HB3 TRP 28 2HB TRP 28 -2.731 5.976 -3.068 195 HD1 TRP 28 HD TRP 28 -3.706 9.564 -3.855 196 HE1 TRP 28 1HE TRP 28 -1.802 10.676 -5.119 197 HE3 TRP 28 3HE TRP 28 -1.018 5.386 -4.935 198 HZ2 TRP 28 2HZ TRP 28 0.726 9.828 -6.375 199 HZ3 TRP 28 3HZ TRP 28 1.116 5.542 -6.152 200 HH2 TRP 28 HH TRP 28 2.021 7.739 -6.850 201 H ASN 29 H ASN 29 -6.018 5.833 -6.178 202 HA ASN 29 HA ASN 29 -8.087 7.651 -5.567 203 HB3 ASN 29 2HB ASN 29 -6.815 8.831 -7.978 204 HD21 ASN 29 1HD2 ASN 29 -6.897 9.734 -4.502 205 HD22 ASN 29 2HD2 ASN 29 -8.135 10.958 -4.666 206 H ASP 30 H ASP 30 -9.271 8.134 -7.798 207 HA ASP 30 HA ASP 30 -9.443 5.681 -9.443 208 HB3 ASP 30 2HB ASP 30 -10.775 7.640 -10.846 209 H GLY 31 H GLY 31 -7.460 5.488 -10.198 210 HA2 GLY 31 1HA GLY 31 -6.567 5.638 -12.426 211 HA3 GLY 31 2HA GLY 31 -6.606 7.406 -12.319 212 H LYS 32 H LYS 32 -5.424 7.992 -9.905 213 HA LYS 32 HA LYS 32 -2.840 8.015 -10.862 214 HB3 LYS 32 2HB LYS 32 -4.039 8.807 -8.175 215 HG3 LYS 32 2HG LYS 32 -1.624 8.718 -8.086 216 HD3 LYS 32 2HD LYS 32 -1.325 11.097 -9.923 217 HE3 LYS 32 2HE LYS 32 0.470 8.801 -9.046 218 HZ1 LYS 32 3HZ LYS 32 1.007 9.882 -11.249 219 HZ2 LYS 32 1HZ LYS 32 2.203 9.886 -10.113 220 HZ3 LYS 32 2HZ LYS 32 1.369 11.249 -10.425 221 H GLU 33 H GLU 33 -1.216 6.647 -10.622 222 HA GLU 33 HA GLU 33 -0.934 5.024 -8.199 223 HB3 GLU 33 2HB GLU 33 -2.040 3.600 -9.767 224 HG3 GLU 33 2HG GLU 33 -1.382 4.793 -11.935 225 H GLN 34 H GLN 34 1.197 3.805 -8.420 226 HA GLN 34 HA GLN 34 3.194 4.724 -10.163 227 HB3 GLN 34 2HB GLN 34 3.369 6.478 -8.347 228 HG3 GLN 34 2HG GLN 34 3.054 4.681 -6.424 229 HE21 GLN 34 1HE2 GLN 34 6.411 5.242 -7.671 230 HE22 GLN 34 2HE2 GLN 34 7.104 3.908 -6.805 231 H THR 35 H THR 35 5.429 3.303 -9.138 232 HA THR 35 HA THR 35 4.309 0.766 -8.150 233 HB THR 35 HB THR 35 5.566 -0.524 -9.750 234 HG1 THR 35 1HG THR 35 6.196 1.787 -11.232 235 HG21 THR 35 3HG2 THR 35 3.284 0.216 -10.422 236 HG22 THR 35 1HG2 THR 35 4.368 -0.030 -11.816 237 HG23 THR 35 2HG2 THR 35 4.007 1.613 -11.239 238 H VAL 36 H VAL 36 5.732 -0.465 -6.870 239 HA VAL 36 HA VAL 36 8.140 1.015 -5.894 240 HB VAL 36 HB VAL 36 6.561 -1.324 -4.782 241 HG11 VAL 36 1HG1 VAL 36 9.156 -0.152 -3.740 242 HG12 VAL 36 2HG1 VAL 36 8.118 -1.263 -2.827 243 HG13 VAL 36 3HG1 VAL 36 8.904 -1.812 -4.320 244 HG21 VAL 36 3HG2 VAL 36 6.051 0.074 -2.891 245 HG22 VAL 36 1HG2 VAL 36 7.146 1.341 -3.441 246 HG23 VAL 36 2HG2 VAL 36 5.653 1.012 -4.342 247 H ASN 37 H ASN 37 10.118 0.165 -6.423 248 HA ASN 37 HA ASN 37 10.345 -1.674 -8.614 249 HB3 ASN 37 2HB ASN 37 12.435 -0.575 -6.709 250 HD21 ASN 37 1HD2 ASN 37 14.279 -1.867 -6.584 251 HD22 ASN 37 2HD2 ASN 37 14.826 -2.954 -7.850 252 H THR 38 H THR 38 11.902 -2.219 -5.380 253 HA THR 38 HA THR 38 10.656 -4.866 -5.300 254 HB THR 38 HB THR 38 13.653 -4.483 -5.151 255 HG1 THR 38 1HG THR 38 13.082 -4.155 -7.221 256 HG21 THR 38 3HG2 THR 38 12.049 -7.044 -5.427 257 HG22 THR 38 1HG2 THR 38 12.727 -6.438 -3.906 258 HG23 THR 38 2HG2 THR 38 13.805 -6.898 -5.219 259 H LEU 39 H LEU 39 10.047 -5.291 -3.305 260 HA LEU 39 HA LEU 39 11.116 -3.658 -1.079 261 HB3 LEU 39 2HB LEU 39 8.428 -5.009 -0.891 262 HG LEU 39 HG LEU 39 9.209 -3.855 1.112 263 HD11 LEU 39 1HD1 LEU 39 9.603 -1.547 -0.845 264 HD12 LEU 39 2HD1 LEU 39 10.696 -2.153 0.406 265 HD13 LEU 39 3HD1 LEU 39 9.275 -1.240 0.866 266 HD21 LEU 39 3HD2 LEU 39 7.263 -2.427 1.412 267 HD22 LEU 39 1HD2 LEU 39 6.763 -3.796 0.409 268 HD23 LEU 39 2HD2 LEU 39 7.088 -2.232 -0.351 269 H GLY 40 H GLY 40 12.610 -4.907 -0.259 270 HA2 GLY 40 1HA GLY 40 12.929 -7.663 -0.549 271 HA3 GLY 40 2HA GLY 40 13.685 -6.661 0.697 272 H SER 41 H SER 41 13.231 -9.086 1.394 273 HA SER 41 HA SER 41 10.726 -9.746 2.652 274 HB3 SER 41 2HB SER 41 13.617 -10.672 2.769 275 HG SER 41 HG SER 41 11.394 -11.691 4.228 276 H HIS 42 H HIS 42 9.898 -8.401 4.229 277 HA HIS 42 HA HIS 42 9.657 -7.196 5.998 278 HB3 HIS 42 2HB HIS 42 11.683 -7.261 7.763 279 HD1 HIS 42 1HD HIS 42 10.759 -8.445 9.964 280 HD2 HIS 42 2HD HIS 42 8.694 -9.309 6.389 281 HE1 HIS 42 1HE HIS 42 8.549 -9.519 10.625 282 H ASP 43 H ASP 43 10.808 -6.065 3.491 283 HA ASP 43 HA ASP 43 12.321 -3.768 4.613 284 HB3 ASP 43 2HB ASP 43 11.512 -4.107 1.723 285 H SER 44 H SER 44 11.647 -1.711 3.409 286 HA SER 44 HA SER 44 8.885 -1.222 2.962 287 HB3 SER 44 2HB SER 44 8.484 -1.242 5.257 288 HG SER 44 HG SER 44 9.703 -0.165 6.775 289 H ILE 45 H ILE 45 8.451 0.930 2.213 290 HA ILE 45 HA ILE 45 10.592 2.890 2.037 291 HB ILE 45 HB ILE 45 11.050 1.462 0.093 292 HG13 ILE 45 2HG1 ILE 45 11.184 4.056 0.034 293 HG21 ILE 45 1HG2 ILE 45 8.630 0.619 -0.241 294 HG22 ILE 45 2HG2 ILE 45 8.304 2.147 -1.042 295 HG23 ILE 45 3HG2 ILE 45 9.513 1.044 -1.701 296 HD11 ILE 45 3HD1 ILE 45 11.796 4.118 -2.328 297 HD12 ILE 45 1HD1 ILE 45 12.405 2.619 -1.585 298 HD13 ILE 45 2HD1 ILE 45 10.963 2.577 -2.617 299 H ASP 46 H ASP 46 9.796 4.944 1.627 300 HA ASP 46 HA ASP 46 6.884 5.219 1.513 301 HB3 ASP 46 2HB ASP 46 6.963 5.913 3.641 302 H PHE 47 H PHE 47 6.112 6.823 0.384 303 HA PHE 47 HA PHE 47 7.950 8.601 -1.119 304 HB3 PHE 47 2HB PHE 47 8.094 6.808 -2.604 305 HD1 PHE 47 2HD PHE 47 7.536 4.676 -1.365 306 HD2 PHE 47 1HD PHE 47 4.594 6.946 -3.585 307 HE1 PHE 47 2HE PHE 47 5.984 2.762 -1.267 308 HE2 PHE 47 1HE PHE 47 3.121 4.944 -3.637 309 HZ PHE 47 HZ PHE 47 3.790 2.898 -2.375 310 H SER 48 H SER 48 6.920 10.273 -2.250 311 HA SER 48 HA SER 48 4.574 11.347 -0.974 312 HB3 SER 48 2HB SER 48 5.065 12.925 -3.187 313 HG SER 48 HG SER 48 5.102 13.843 -1.325 314 H SER 49 H SER 49 2.540 11.753 -1.791 315 HA SER 49 HA SER 49 1.724 10.601 -4.364 316 HB3 SER 49 2HB SER 49 0.827 8.972 -2.985 317 HG SER 49 HG SER 49 1.498 9.637 -1.028 318 H ASP 50 H ASP 50 0.033 11.836 -5.312 319 HA ASP 50 HA ASP 50 0.412 14.671 -4.576 320 HB3 ASP 50 2HB ASP 50 0.444 13.496 -7.356 321 H ALA 51 H ALA 51 -1.972 13.920 -3.748 322 HA ALA 51 HA ALA 51 -3.945 14.634 -5.874 323 HB1 ALA 51 1HB ALA 51 -3.494 12.200 -5.879 324 HB2 ALA 51 2HB ALA 51 -4.026 12.117 -4.174 325 HB3 ALA 51 3HB ALA 51 -5.174 12.590 -5.446 326 H GLY 52 H GLY 52 -3.019 16.027 -3.376 327 HA2 GLY 52 1HA GLY 52 -3.956 17.467 -1.912 328 HA3 GLY 52 2HA GLY 52 -5.510 17.036 -2.614 329 H SER 53 H SER 53 -5.558 14.259 -1.803 330 HA SER 53 HA SER 53 -5.123 13.745 0.926 331 HB3 SER 53 2HB SER 53 -6.856 15.351 1.463 332 HG SER 53 HG SER 53 -9.012 14.507 0.456 333 H VAL 54 H VAL 54 -6.395 11.604 1.437 334 HA VAL 54 HA VAL 54 -7.228 10.183 -1.002 335 HB VAL 54 HB VAL 54 -5.024 9.196 0.849 336 HG11 VAL 54 1HG1 VAL 54 -6.475 7.270 0.245 337 HG12 VAL 54 2HG1 VAL 54 -6.345 7.710 -1.480 338 HG13 VAL 54 3HG1 VAL 54 -4.960 7.160 -0.613 339 HG21 VAL 54 3HG2 VAL 54 -5.072 9.753 -2.144 340 HG22 VAL 54 1HG2 VAL 54 -4.236 10.746 -0.952 341 HG23 VAL 54 2HG2 VAL 54 -3.680 9.109 -1.237 342 H TYR 55 H TYR 55 -8.635 8.522 -0.628 343 HA TYR 55 HA TYR 55 -9.538 7.875 2.122 344 HB3 TYR 55 2HB TYR 55 -11.069 9.397 1.565 345 HD1 TYR 55 2HD TYR 55 -11.369 6.996 -1.428 346 HD2 TYR 55 1HD TYR 55 -11.477 11.098 -0.035 347 HE1 TYR 55 2HE TYR 55 -11.912 7.768 -3.696 348 HE2 TYR 55 1HE TYR 55 -12.012 11.860 -2.325 349 HH TYR 55 HH TYR 55 -13.184 10.464 -4.587 350 H LYS 56 H LYS 56 -8.529 6.786 -1.040 351 HA LYS 56 HA LYS 56 -9.285 4.053 -0.225 352 HB3 LYS 56 2HB LYS 56 -11.055 4.805 -1.687 353 HG3 LYS 56 2HG LYS 56 -8.875 4.961 -3.855 354 HD3 LYS 56 2HD LYS 56 -11.836 5.507 -4.201 355 HE3 LYS 56 2HE LYS 56 -9.545 4.723 -6.048 356 HZ1 LYS 56 3HZ LYS 56 -11.494 3.472 -6.575 357 HZ2 LYS 56 1HZ LYS 56 -11.282 4.610 -7.762 358 HZ3 LYS 56 2HZ LYS 56 -12.424 4.840 -6.622 359 H MET 57 H MET 57 -8.085 2.398 -1.322 360 HA MET 57 HA MET 57 -5.481 3.181 -2.435 361 HB3 MET 57 2HB MET 57 -5.847 1.858 0.293 362 HG3 MET 57 2HG MET 57 -3.452 2.185 -1.477 363 HE1 MET 57 3HE MET 57 -1.029 3.098 -0.713 364 HE2 MET 57 1HE MET 57 -2.279 4.350 -0.528 365 HE3 MET 57 2HE MET 57 -1.065 4.090 0.736 366 H ASP 58 H ASP 58 -4.860 1.643 -3.810 367 HA ASP 58 HA ASP 58 -6.146 -1.012 -3.809 368 HB3 ASP 58 2HB ASP 58 -6.347 1.139 -5.854 369 H VAL 59 H VAL 59 -4.532 -2.218 -3.448 370 HA VAL 59 HA VAL 59 -1.902 -1.811 -4.779 371 HB VAL 59 HB VAL 59 -2.646 -3.962 -2.737 372 HG11 VAL 59 1HG1 VAL 59 -0.107 -3.100 -4.144 373 HG12 VAL 59 2HG1 VAL 59 -0.011 -3.912 -2.586 374 HG13 VAL 59 3HG1 VAL 59 -0.786 -4.728 -3.955 375 HG21 VAL 59 3HG2 VAL 59 -1.008 -1.509 -2.120 376 HG22 VAL 59 1HG2 VAL 59 -2.723 -1.696 -1.642 377 HG23 VAL 59 2HG2 VAL 59 -1.501 -2.805 -1.012 378 H THR 60 H THR 60 -1.272 -3.296 -6.317 379 HA THR 60 HA THR 60 -2.335 -5.945 -6.017 380 HB THR 60 HB THR 60 -3.751 -5.708 -7.723 381 HG1 THR 60 1HG THR 60 -2.776 -6.498 -9.660 382 HG21 THR 60 3HG2 THR 60 -3.557 -3.462 -8.284 383 HG22 THR 60 1HG2 THR 60 -3.507 -4.401 -9.776 384 HG23 THR 60 2HG2 THR 60 -1.991 -3.712 -9.107 385 H GLY 61 H GLY 61 -0.702 -7.349 -6.072 386 HA2 GLY 61 1HA GLY 61 1.861 -6.634 -7.330 387 HA3 GLY 61 2HA GLY 61 1.865 -6.782 -5.560 388 H THR 62 H THR 62 3.476 -8.490 -6.649 389 HA THR 62 HA THR 62 2.160 -11.057 -6.507 390 HB THR 62 HB THR 62 4.155 -10.535 -8.729 391 HG1 THR 62 1HG THR 62 2.205 -10.464 -10.090 392 HG21 THR 62 3HG2 THR 62 3.108 -12.564 -9.697 393 HG22 THR 62 1HG2 THR 62 1.919 -12.635 -8.382 394 HG23 THR 62 2HG2 THR 62 3.625 -12.885 -8.035 395 H THR 63 H THR 63 3.483 -12.611 -5.471 396 HA THR 63 HA THR 63 5.829 -11.686 -4.027 397 HB THR 63 HB THR 63 5.640 -13.752 -2.878 398 HG1 THR 63 1HG THR 63 4.189 -15.407 -3.722 399 HG21 THR 63 3HG2 THR 63 2.762 -13.044 -3.527 400 HG22 THR 63 1HG2 THR 63 3.804 -12.120 -2.429 401 HG23 THR 63 2HG2 THR 63 3.437 -13.827 -2.094 402 H GLN 64 H GLN 64 7.764 -13.004 -3.892 403 HA GLN 64 HA GLN 64 9.217 -13.518 -6.197 404 HB3 GLN 64 2HB GLN 64 9.274 -14.654 -3.372 405 HG3 GLN 64 2HG GLN 64 11.379 -14.952 -5.541 406 HE21 GLN 64 1HE2 GLN 64 12.858 -13.537 -4.338 407 HE22 GLN 64 2HE2 GLN 64 13.554 -14.050 -2.817 408 H SER 65 H SER 65 7.177 -15.770 -4.299 409 HA SER 65 HA SER 65 7.410 -18.071 -5.966 410 HB3 SER 65 2HB SER 65 5.066 -18.392 -4.558 411 HG SER 65 HG SER 65 6.747 -19.663 -4.104 412 H GLY 66 H GLY 66 5.665 -15.159 -6.571 413 HA2 GLY 66 1HA GLY 66 4.684 -14.726 -8.686 414 HA3 GLY 66 2HA GLY 66 4.491 -16.451 -8.967 415 H GLU 67 H GLU 67 3.451 -15.625 -5.749 416 HA GLU 67 HA GLU 67 0.698 -16.035 -6.575 417 HB3 GLU 67 2HB GLU 67 0.207 -15.677 -4.152 418 HG3 GLU 67 2HG GLU 67 1.913 -17.750 -5.190 419 H LYS 68 H LYS 68 -0.880 -14.597 -6.544 420 HA LYS 68 HA LYS 68 0.064 -11.771 -6.815 421 HB3 LYS 68 2HB LYS 68 -2.210 -13.300 -8.167 422 HG3 LYS 68 2HG LYS 68 -1.635 -10.440 -7.920 423 HD3 LYS 68 2HD LYS 68 -1.950 -11.395 -10.765 424 HE3 LYS 68 2HE LYS 68 -2.370 -8.996 -10.065 425 HZ1 LYS 68 3HZ LYS 68 -0.529 -8.945 -8.424 426 HZ2 LYS 68 1HZ LYS 68 -0.540 -7.674 -9.450 427 HZ3 LYS 68 2HZ LYS 68 0.559 -8.935 -9.628 428 H PHE 69 H PHE 69 -0.728 -10.320 -5.544 429 HA PHE 69 HA PHE 69 -3.020 -10.970 -3.755 430 HB3 PHE 69 2HB PHE 69 -1.007 -11.151 -2.469 431 HD1 PHE 69 1HD PHE 69 -0.970 -7.436 -2.560 432 HD2 PHE 69 2HD PHE 69 1.225 -11.042 -3.441 433 HE1 PHE 69 1HE PHE 69 1.124 -6.115 -2.761 434 HE2 PHE 69 2HE PHE 69 3.316 -9.718 -3.619 435 HZ PHE 69 HZ PHE 69 3.271 -7.246 -3.262 436 H THR 70 H THR 70 -4.222 -9.118 -3.070 437 HA THR 70 HA THR 70 -3.792 -6.607 -4.545 438 HB THR 70 HB THR 70 -6.221 -6.435 -4.956 439 HG1 THR 70 1HG THR 70 -7.459 -8.384 -4.795 440 HG21 THR 70 3HG2 THR 70 -4.786 -7.219 -6.805 441 HG22 THR 70 1HG2 THR 70 -6.420 -7.882 -6.880 442 HG23 THR 70 2HG2 THR 70 -5.076 -8.900 -6.319 443 H GLY 71 H GLY 71 -4.914 -4.814 -3.488 444 HA2 GLY 71 1HA GLY 71 -5.874 -5.305 -0.701 445 HA3 GLY 71 2HA GLY 71 -4.433 -4.295 -0.934 446 H HIS 72 H HIS 72 -7.921 -4.594 -1.628 447 HA HIS 72 HA HIS 72 -7.936 -1.818 -2.705 448 HB3 HIS 72 2HB HIS 72 -9.964 -2.311 -3.776 449 HD1 HIS 72 1HD HIS 72 -7.486 -2.610 -5.540 450 HD2 HIS 72 2HD HIS 72 -9.708 -5.941 -4.160 451 HE1 HIS 72 1HE HIS 72 -7.120 -4.305 -7.159 452 H PHE 73 H PHE 73 -8.702 -0.287 -1.378 453 HA PHE 73 HA PHE 73 -10.365 -0.955 0.989 454 HB3 PHE 73 2HB PHE 73 -8.937 0.615 2.256 455 HD1 PHE 73 1HD PHE 73 -9.058 -1.613 3.394 456 HD2 PHE 73 2HD PHE 73 -6.240 -0.872 0.214 457 HE1 PHE 73 1HE PHE 73 -7.779 -3.635 4.055 458 HE2 PHE 73 2HE PHE 73 -5.017 -2.947 0.853 459 HZ PHE 73 HZ PHE 73 -5.787 -4.311 2.770 460 H LYS 74 H LYS 74 -11.645 0.823 1.703 461 HA LYS 74 HA LYS 74 -12.053 2.928 -0.380 462 HB3 LYS 74 2HB LYS 74 -14.583 1.890 0.604 463 HG3 LYS 74 2HG LYS 74 -13.152 1.378 -2.039 464 HD3 LYS 74 2HD LYS 74 -16.103 1.656 -1.286 465 HE3 LYS 74 2HE LYS 74 -14.717 0.996 -3.922 466 HZ1 LYS 74 3HZ LYS 74 -16.963 0.075 -3.617 467 HZ2 LYS 74 1HZ LYS 74 -16.873 1.227 -4.812 468 HZ3 LYS 74 2HZ LYS 74 -17.539 1.625 -3.365 469 H GLY 75 H GLY 75 -11.483 2.698 2.756 470 HA2 GLY 75 1HA GLY 75 -13.034 5.083 3.477 471 HA3 GLY 75 2HA GLY 75 -13.251 3.586 4.434 472 H LEU 76 H LEU 76 -10.976 6.065 3.387 473 HA LEU 76 HA LEU 76 -9.111 5.255 5.584 474 HB3 LEU 76 2HB LEU 76 -7.273 6.216 4.156 475 HG LEU 76 HG LEU 76 -8.796 3.986 2.693 476 HD11 LEU 76 1HD1 LEU 76 -6.648 3.448 1.699 477 HD12 LEU 76 2HD1 LEU 76 -5.868 4.804 2.547 478 HD13 LEU 76 3HD1 LEU 76 -7.100 5.117 1.304 479 HD21 LEU 76 3HD2 LEU 76 -6.551 3.735 4.743 480 HD22 LEU 76 1HD2 LEU 76 -7.254 2.417 3.761 481 HD23 LEU 76 2HD2 LEU 76 -8.246 3.239 4.967 482 H VAL 77 H VAL 77 -7.889 7.016 6.471 483 HA VAL 77 HA VAL 77 -9.115 9.694 6.209 484 HB VAL 77 HB VAL 77 -9.078 9.900 8.647 485 HG11 VAL 77 1HG1 VAL 77 -10.987 8.498 9.177 486 HG12 VAL 77 2HG1 VAL 77 -11.122 9.061 7.503 487 HG13 VAL 77 3HG1 VAL 77 -10.616 7.390 7.851 488 HG21 VAL 77 3HG2 VAL 77 -8.276 6.958 8.754 489 HG22 VAL 77 1HG2 VAL 77 -7.286 8.343 9.271 490 HG23 VAL 77 2HG2 VAL 77 -8.782 7.959 10.127 491 H GLY 78 H GLY 78 -7.630 11.294 7.477 492 HA2 GLY 78 1HA GLY 78 -5.621 12.257 7.896 493 HA3 GLY 78 2HA GLY 78 -4.958 10.619 8.055 494 H LYS 79 H LYS 79 -3.323 12.569 7.201 495 HA LYS 79 HA LYS 79 -3.434 12.770 4.280 496 HB3 LYS 79 2HB LYS 79 -1.393 14.066 6.120 497 HG3 LYS 79 2HG LYS 79 -2.248 14.294 3.357 498 HD3 LYS 79 2HD LYS 79 -2.146 17.018 4.650 499 HE3 LYS 79 2HE LYS 79 -3.226 15.723 2.115 500 HZ1 LYS 79 3HZ LYS 79 -3.723 17.871 1.347 501 HZ2 LYS 79 1HZ LYS 79 -3.274 18.601 2.784 502 HZ3 LYS 79 2HZ LYS 79 -4.573 17.629 2.735 503 H ASP 80 H ASP 80 -2.417 10.398 6.161 504 HA ASP 80 HA ASP 80 0.061 9.758 4.697 505 HB3 ASP 80 2HB ASP 80 0.744 10.724 6.808 506 H THR 81 H THR 81 0.305 7.544 4.351 507 HA THR 81 HA THR 81 -1.892 5.752 5.158 508 HB THR 81 HB THR 81 -1.212 5.273 2.440 509 HG1 THR 81 1HG THR 81 -0.688 7.659 2.520 510 HG21 THR 81 3HG2 THR 81 -3.713 6.515 3.629 511 HG22 THR 81 1HG2 THR 81 -3.363 4.773 3.555 512 HG23 THR 81 2HG2 THR 81 -3.604 5.688 2.061 513 H ARG 82 H ARG 82 -1.324 3.602 5.249 514 HA ARG 82 HA ARG 82 1.445 2.795 4.565 515 HB3 ARG 82 2HB ARG 82 1.261 1.419 6.805 516 HG3 ARG 82 2HG ARG 82 1.760 4.433 6.862 517 HD3 ARG 82 2HD ARG 82 3.364 3.635 8.732 518 HE ARG 82 HE ARG 82 0.807 4.672 8.918 519 HH11 ARG 82 1HH1 ARG 82 2.954 2.695 10.990 520 HH12 ARG 82 2HH1 ARG 82 2.302 3.342 12.455 521 HH21 ARG 82 1HH2 ARG 82 -0.037 5.491 10.919 522 HH22 ARG 82 2HH2 ARG 82 0.565 4.843 12.412 523 H VAL 83 H VAL 83 1.602 0.433 4.535 524 HA VAL 83 HA VAL 83 -0.935 -0.961 3.889 525 HB VAL 83 HB VAL 83 1.563 -0.796 2.161 526 HG11 VAL 83 1HG1 VAL 83 0.546 -3.064 2.089 527 HG12 VAL 83 2HG1 VAL 83 -1.051 -2.346 1.772 528 HG13 VAL 83 3HG1 VAL 83 0.238 -2.227 0.567 529 HG21 VAL 83 3HG2 VAL 83 0.006 0.139 0.426 530 HG22 VAL 83 1HG2 VAL 83 -1.226 0.277 1.689 531 HG23 VAL 83 2HG2 VAL 83 0.271 1.213 1.803 532 H PHE 84 H PHE 84 -0.939 -2.717 5.227 533 HA PHE 84 HA PHE 84 1.651 -3.803 6.238 534 HB3 PHE 84 2HB PHE 84 -0.032 -4.753 7.971 535 HD1 PHE 84 1HD PHE 84 2.053 -2.026 7.272 536 HD2 PHE 84 2HD PHE 84 -1.154 -3.218 9.884 537 HE1 PHE 84 1HE PHE 84 2.696 -0.265 8.860 538 HE2 PHE 84 2HE PHE 84 -0.460 -1.486 11.517 539 HZ PHE 84 HZ PHE 84 1.423 0.045 10.971 540 H ILE 85 H ILE 85 2.170 -5.118 4.535 541 HA ILE 85 HA ILE 85 0.211 -6.968 3.344 542 HB ILE 85 HB ILE 85 3.255 -7.020 3.070 543 HG13 ILE 85 2HG1 ILE 85 2.561 -4.764 2.438 544 HG21 ILE 85 1HG2 ILE 85 1.162 -7.888 1.031 545 HG22 ILE 85 2HG2 ILE 85 2.897 -8.313 1.116 546 HG23 ILE 85 3HG2 ILE 85 1.738 -8.989 2.269 547 HD11 ILE 85 3HD1 ILE 85 4.149 -5.838 0.822 548 HD12 ILE 85 1HD1 ILE 85 2.752 -6.290 -0.183 549 HD13 ILE 85 2HD1 ILE 85 3.109 -4.585 0.122 550 H GLU 86 H GLU 86 -0.196 -9.016 4.251 551 HA GLU 86 HA GLU 86 1.762 -10.314 5.949 552 HB3 GLU 86 2HB GLU 86 0.921 -9.064 7.687 553 HG3 GLU 86 2HG GLU 86 -1.953 -9.717 6.954 554 H LEU 87 H LEU 87 0.892 -12.454 6.711 555 HA LEU 87 HA LEU 87 -0.322 -13.644 4.423 556 HB3 LEU 87 2HB LEU 87 0.127 -15.754 5.831 557 HG LEU 87 HG LEU 87 1.595 -15.129 3.971 558 HD11 LEU 87 1HD1 LEU 87 2.031 -13.088 4.171 559 HD12 LEU 87 2HD1 LEU 87 3.588 -13.943 4.211 560 HD13 LEU 87 3HD1 LEU 87 2.922 -13.259 5.747 561 HD21 LEU 87 3HD2 LEU 87 3.493 -15.657 6.300 562 HD22 LEU 87 1HD2 LEU 87 3.551 -16.360 4.665 563 HD23 LEU 87 2HD2 LEU 87 2.349 -16.897 5.856 564 H ASP 88 H ASP 88 -1.856 -15.057 4.488 565 HA ASP 88 HA ASP 88 -4.249 -14.772 6.206 566 HB3 ASP 88 2HB ASP 88 -3.617 -16.969 4.225 567 H GLU 89 H GLU 89 -5.093 -17.055 7.022 568 HA GLU 89 HA GLU 89 -3.508 -17.941 9.174 569 HB3 GLU 89 2HB GLU 89 -6.048 -18.099 8.694 570 HG3 GLU 89 2HG GLU 89 -5.333 -20.853 7.629 571 H ASN 90 H ASN 90 -3.778 -19.034 5.901 572 HA ASN 90 HA ASN 90 -2.302 -21.548 6.360 573 HB3 ASN 90 2HB ASN 90 -4.521 -21.584 5.202 574 HD21 ASN 90 1HD2 ASN 90 -5.225 -19.260 4.546 575 HD22 ASN 90 2HD2 ASN 90 -4.901 -18.861 2.871 576 H ALA 91 H ALA 91 -1.183 -18.558 5.955 577 HA ALA 91 HA ALA 91 0.472 -17.493 4.831 578 HB1 ALA 91 1HB ALA 91 2.465 -18.777 4.174 579 HB2 ALA 91 2HB ALA 91 1.918 -19.192 5.809 580 HB3 ALA 91 3HB ALA 91 1.604 -20.294 4.473 581 H ASP 92 H ASP 92 -1.466 -17.204 3.591 582 HA ASP 92 HA ASP 92 -0.970 -17.425 0.696 583 HB3 ASP 92 2HB ASP 92 -3.674 -16.824 2.006 584 H VAL 93 H VAL 93 -2.015 -15.101 -0.067 585 HA VAL 93 HA VAL 93 -0.760 -13.326 1.844 586 HB VAL 93 HB VAL 93 -0.686 -13.074 -1.197 587 HG11 VAL 93 1HG1 VAL 93 -0.295 -10.941 -0.004 588 HG12 VAL 93 2HG1 VAL 93 0.934 -11.721 0.996 589 HG13 VAL 93 3HG1 VAL 93 1.184 -11.527 -0.768 590 HG21 VAL 93 3HG2 VAL 93 1.186 -14.453 0.729 591 HG22 VAL 93 1HG2 VAL 93 0.451 -15.087 -0.752 592 HG23 VAL 93 2HG2 VAL 93 1.714 -13.860 -0.865 593 H GLN 94 H GLN 94 -2.007 -11.778 2.720 594 HA GLN 94 HA GLN 94 -4.167 -10.614 1.059 595 HB3 GLN 94 2HB GLN 94 -5.673 -10.502 2.852 596 HG3 GLN 94 2HG GLN 94 -6.009 -12.770 3.711 597 HE21 GLN 94 1HE2 GLN 94 -5.606 -15.049 2.400 598 HE22 GLN 94 2HE2 GLN 94 -5.589 -15.006 0.660 599 H VAL 95 H VAL 95 -4.847 -8.472 2.570 600 HA VAL 95 HA VAL 95 -2.327 -7.041 3.163 601 HB VAL 95 HB VAL 95 -4.437 -5.988 1.224 602 HG11 VAL 95 1HG1 VAL 95 -3.409 -4.162 2.534 603 HG12 VAL 95 2HG1 VAL 95 -1.795 -4.791 2.178 604 HG13 VAL 95 3HG1 VAL 95 -2.807 -4.120 0.880 605 HG21 VAL 95 3HG2 VAL 95 -2.607 -6.100 -0.475 606 HG22 VAL 95 1HG2 VAL 95 -1.590 -6.967 0.735 607 HG23 VAL 95 2HG2 VAL 95 -3.065 -7.690 0.110 608 H PHE 96 H PHE 96 -2.519 -5.667 4.798 609 HA PHE 96 HA PHE 96 -5.167 -5.090 5.988 610 HB3 PHE 96 2HB PHE 96 -2.588 -5.473 7.538 611 HD1 PHE 96 2HD PHE 96 -5.830 -7.272 7.712 612 HD2 PHE 96 1HD PHE 96 -3.428 -4.133 9.462 613 HE1 PHE 96 2HE PHE 96 -7.432 -7.092 9.563 614 HE2 PHE 96 1HE PHE 96 -5.003 -4.097 11.422 615 HZ PHE 96 HZ PHE 96 -7.006 -5.526 11.453 616 H ILE 97 H ILE 97 -4.902 -3.225 7.575 617 HA ILE 97 HA ILE 97 -2.748 -1.389 6.990 618 HB ILE 97 HB ILE 97 -4.616 0.468 6.703 619 HG13 ILE 97 2HG1 ILE 97 -6.551 -1.082 6.953 620 HG21 ILE 97 1HG2 ILE 97 -4.097 -1.154 4.229 621 HG22 ILE 97 2HG2 ILE 97 -4.109 0.622 4.447 622 HG23 ILE 97 3HG2 ILE 97 -2.777 -0.333 5.079 623 HD11 ILE 97 3HD1 ILE 97 -6.702 1.046 5.593 624 HD12 ILE 97 1HD1 ILE 97 -6.414 0.053 4.138 625 HD13 ILE 97 2HD1 ILE 97 -7.866 -0.214 5.132 626 HA PRO 98 HA PRO 98 -3.657 -0.155 11.173 627 HB3 PRO 98 2HB PRO 98 -1.532 0.659 11.355 628 HG3 PRO 98 2HG PRO 98 -0.403 1.530 9.466 629 HD3 PRO 98 2HD PRO 98 -1.259 -0.470 8.524 630 H GLN 99 H GLN 99 -5.829 0.414 11.417 631 HA GLN 99 HA GLN 99 -6.721 3.068 10.644 632 HB3 GLN 99 2HB GLN 99 -8.968 1.982 9.996 633 HG3 GLN 99 2HG GLN 99 -8.432 1.446 7.672 634 HE21 GLN 99 1HE2 GLN 99 -5.568 3.361 8.198 635 HE22 GLN 99 2HE2 GLN 99 -6.278 4.916 7.815 636 H GLY 100 H GLY 100 -9.097 3.164 11.848 637 HA2 GLY 100 1HA GLY 100 -9.803 1.396 13.812 638 HA3 GLY 100 2HA GLY 100 -8.690 2.488 14.651 639 H GLU 101 H GLU 101 -9.212 4.893 13.342 640 HA GLU 101 HA GLU 101 -11.997 5.547 14.090 641 HB3 GLU 101 2HB GLU 101 -11.456 7.803 13.470 642 HG3 GLU 101 2HG GLU 101 -9.223 6.665 15.217 643 H ILE 102 H ILE 102 -12.793 3.929 12.617 644 HA ILE 102 HA ILE 102 -13.751 5.264 10.312 645 HB ILE 102 HB ILE 102 -12.063 4.077 9.160 646 HG13 ILE 102 2HG1 ILE 102 -14.504 3.963 8.462 647 HG21 ILE 102 1HG2 ILE 102 -12.772 1.484 10.603 648 HG22 ILE 102 2HG2 ILE 102 -11.542 1.702 9.344 649 HG23 ILE 102 3HG2 ILE 102 -11.325 2.462 10.919 650 HD11 ILE 102 3HD1 ILE 102 -12.649 3.434 6.903 651 HD12 ILE 102 1HD1 ILE 102 -12.745 1.719 7.377 652 HD13 ILE 102 2HD1 ILE 102 -14.113 2.495 6.563 653 H ASP 103 H ASP 103 -15.884 5.088 10.612 654 HA ASP 103 HA ASP 103 -17.010 2.765 12.054 655 HB3 ASP 103 2HB ASP 103 -17.997 5.605 12.526 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -3.958 26.618 1.397 2 HA2 GLY 1 1HA GLY 1 -1.530 26.824 1.334 3 HA3 GLY 1 2HA GLY 1 -1.479 25.197 0.605 4 H ALA 2 H ALA 2 -0.466 25.915 -1.317 5 HA ALA 2 HA ALA 2 -1.964 27.873 -3.008 6 HB1 ALA 2 1HB ALA 2 0.148 28.682 -1.992 7 HB2 ALA 2 2HB ALA 2 1.033 27.358 -2.796 8 HB3 ALA 2 3HB ALA 2 0.227 28.616 -3.754 9 H GLN 3 H GLN 3 -2.234 24.862 -3.041 10 HA GLN 3 HA GLN 3 -2.160 23.023 -4.294 11 HB3 GLN 3 2HB GLN 3 -1.613 23.065 -6.734 12 HG3 GLN 3 2HG GLN 3 -3.731 25.117 -6.595 13 HE21 GLN 3 1HE2 GLN 3 -2.956 24.520 -8.965 14 HE22 GLN 3 2HE2 GLN 3 -3.699 23.118 -9.695 15 H ASP 4 H ASP 4 0.561 24.738 -3.395 16 HA ASP 4 HA ASP 4 2.206 22.452 -3.897 17 HB3 ASP 4 2HB ASP 4 3.467 24.903 -5.038 18 H GLY 5 H GLY 5 1.290 23.116 -1.674 19 HA2 GLY 5 1HA GLY 5 3.409 24.545 -0.139 20 HA3 GLY 5 2HA GLY 5 1.700 24.365 0.334 21 H LYS 6 H LYS 6 1.808 23.111 2.107 22 HA LYS 6 HA LYS 6 3.472 20.624 2.182 23 HB3 LYS 6 2HB LYS 6 2.411 22.401 4.401 24 HG3 LYS 6 2HG LYS 6 4.813 20.641 4.766 25 HD3 LYS 6 2HD LYS 6 2.489 21.558 6.507 26 HE3 LYS 6 2HE LYS 6 4.994 20.047 7.319 27 HZ1 LYS 6 3HZ LYS 6 3.773 19.964 9.462 28 HZ2 LYS 6 1HZ LYS 6 2.669 21.038 8.858 29 HZ3 LYS 6 2HZ LYS 6 4.235 21.472 9.053 30 H GLU 7 H GLU 7 1.130 20.306 0.748 31 HA GLU 7 HA GLU 7 -0.948 19.379 2.647 32 HB3 GLU 7 2HB GLU 7 -1.666 21.135 0.306 33 HG3 GLU 7 2HG GLU 7 -2.764 20.977 3.155 34 H THR 8 H THR 8 0.870 17.773 1.315 35 HA THR 8 HA THR 8 -0.871 16.344 -0.595 36 HB THR 8 HB THR 8 1.527 15.575 -1.489 37 HG1 THR 8 1HG THR 8 1.959 18.314 -0.898 38 HG21 THR 8 3HG2 THR 8 -0.214 16.541 -2.916 39 HG22 THR 8 1HG2 THR 8 1.347 17.279 -3.290 40 HG23 THR 8 2HG2 THR 8 0.153 18.169 -2.323 41 H THR 9 H THR 9 -1.078 14.206 -0.111 42 HA THR 9 HA THR 9 -0.449 13.258 2.500 43 HB THR 9 HB THR 9 -1.253 11.064 1.059 44 HG1 THR 9 1HG THR 9 -2.924 12.074 -0.433 45 HG21 THR 9 3HG2 THR 9 -3.573 11.720 1.658 46 HG22 THR 9 1HG2 THR 9 -2.956 13.344 2.100 47 HG23 THR 9 2HG2 THR 9 -2.414 11.877 2.942 48 H THR 10 H THR 10 0.913 11.538 3.134 49 HA THR 10 HA THR 10 2.906 10.637 1.116 50 HB THR 10 HB THR 10 3.158 9.783 3.956 51 HG1 THR 10 1HG THR 10 3.394 12.505 3.221 52 HG21 THR 10 3HG2 THR 10 5.516 10.151 3.530 53 HG22 THR 10 1HG2 THR 10 5.163 11.000 2.009 54 HG23 THR 10 2HG2 THR 10 4.833 9.263 2.177 55 H ILE 11 H ILE 11 3.210 8.318 0.857 56 HA ILE 11 HA ILE 11 1.306 6.557 2.297 57 HB ILE 11 HB ILE 11 2.209 6.313 -0.593 58 HG13 ILE 11 2HG1 ILE 11 0.168 7.896 0.098 59 HG21 ILE 11 1HG2 ILE 11 0.716 4.294 -0.670 60 HG22 ILE 11 2HG2 ILE 11 2.076 4.090 0.412 61 HG23 ILE 11 3HG2 ILE 11 0.464 4.437 1.083 62 HD11 ILE 11 3HD1 ILE 11 -0.956 7.432 -1.957 63 HD12 ILE 11 1HD1 ILE 11 0.794 7.350 -2.212 64 HD13 ILE 11 2HD1 ILE 11 -0.164 5.849 -2.110 65 H ARG 12 H ARG 12 2.372 4.479 2.818 66 HA ARG 12 HA ARG 12 5.211 4.257 2.186 67 HB3 ARG 12 2HB ARG 12 4.226 4.137 5.054 68 HG3 ARG 12 2HG ARG 12 7.156 4.175 4.586 69 HD3 ARG 12 2HD ARG 12 6.746 1.895 5.870 70 HE ARG 12 HE ARG 12 7.944 3.357 7.041 71 HH11 ARG 12 1HH1 ARG 12 4.701 4.664 6.977 72 HH12 ARG 12 2HH1 ARG 12 4.865 5.619 8.405 73 HH21 ARG 12 1HH2 ARG 12 8.233 4.580 8.919 74 HH22 ARG 12 2HH2 ARG 12 7.087 5.797 9.387 75 H LEU 13 H LEU 13 5.618 2.267 1.565 76 HA LEU 13 HA LEU 13 3.596 0.114 2.134 77 HB3 LEU 13 2HB LEU 13 5.041 -1.058 0.288 78 HG LEU 13 HG LEU 13 4.147 0.580 -1.628 79 HD11 LEU 13 1HD1 LEU 13 1.915 -0.648 -1.492 80 HD12 LEU 13 2HD1 LEU 13 2.549 -1.385 0.008 81 HD13 LEU 13 3HD1 LEU 13 3.389 -1.609 -1.530 82 HD21 LEU 13 3HD2 LEU 13 2.023 1.644 -1.069 83 HD22 LEU 13 1HD2 LEU 13 3.365 2.378 -0.184 84 HD23 LEU 13 2HD2 LEU 13 2.244 1.264 0.643 85 H ILE 14 H ILE 14 4.186 -1.727 3.288 86 HA ILE 14 HA ILE 14 7.002 -2.031 4.110 87 HB ILE 14 HB ILE 14 4.532 -2.578 5.816 88 HG13 ILE 14 2HG1 ILE 14 6.158 -0.042 5.591 89 HG21 ILE 14 1HG2 ILE 14 7.413 -2.130 6.665 90 HG22 ILE 14 2HG2 ILE 14 6.059 -2.815 7.606 91 HG23 ILE 14 3HG2 ILE 14 6.792 -3.726 6.282 92 HD11 ILE 14 3HD1 ILE 14 3.950 0.985 6.389 93 HD12 ILE 14 1HD1 ILE 14 3.853 0.234 4.789 94 HD13 ILE 14 2HD1 ILE 14 3.218 -0.585 6.213 95 H ASN 15 H ASN 15 7.717 -4.166 4.024 96 HA ASN 15 HA ASN 15 5.793 -6.155 2.884 97 HB3 ASN 15 2HB ASN 15 8.805 -6.034 2.644 98 HD21 ASN 15 1HD2 ASN 15 9.629 -7.491 1.039 99 HD22 ASN 15 2HD2 ASN 15 8.829 -9.032 0.893 100 H GLN 16 H GLN 16 5.053 -6.651 5.172 101 HA GLN 16 HA GLN 16 7.136 -7.740 6.939 102 HB3 GLN 16 2HB GLN 16 5.562 -7.533 8.703 103 HG3 GLN 16 2HG GLN 16 5.015 -5.116 6.905 104 HE21 GLN 16 1HE2 GLN 16 3.003 -5.817 8.496 105 HE22 GLN 16 2HE2 GLN 16 2.926 -4.768 9.850 106 H THR 17 H THR 17 7.258 -9.425 5.064 107 HA THR 17 HA THR 17 5.724 -11.801 5.961 108 HB THR 17 HB THR 17 5.369 -12.489 3.623 109 HG1 THR 17 1HG THR 17 6.074 -9.884 2.772 110 HG21 THR 17 3HG2 THR 17 3.497 -11.140 3.098 111 HG22 THR 17 1HG2 THR 17 4.064 -9.829 4.172 112 HG23 THR 17 2HG2 THR 17 3.592 -11.420 4.826 113 H TYR 18 H TYR 18 6.487 -13.731 4.770 114 HA TYR 18 HA TYR 18 9.321 -14.164 4.986 115 HB3 TYR 18 2HB TYR 18 7.257 -15.773 5.382 116 HD1 TYR 18 1HD TYR 18 5.849 -14.930 2.985 117 HD2 TYR 18 2HD TYR 18 8.647 -18.165 3.390 118 HE1 TYR 18 1HE TYR 18 4.533 -16.301 1.355 119 HE2 TYR 18 2HE TYR 18 7.479 -19.420 1.615 120 HH TYR 18 HH TYR 18 5.049 -19.578 0.681 121 H PHE 19 H PHE 19 7.908 -12.444 2.503 122 HA PHE 19 HA PHE 19 9.631 -13.798 0.543 123 HB3 PHE 19 2HB PHE 19 7.523 -14.540 -0.074 124 HD1 PHE 19 1HD PHE 19 7.118 -10.756 -0.572 125 HD2 PHE 19 2HD PHE 19 5.371 -14.497 0.614 126 HE1 PHE 19 1HE PHE 19 4.950 -9.640 -0.174 127 HE2 PHE 19 2HE PHE 19 3.264 -13.337 1.163 128 HZ PHE 19 HZ PHE 19 2.989 -10.981 0.603 129 H ASN 20 H ASN 20 9.807 -12.371 -1.475 130 HA ASN 20 HA ASN 20 10.317 -9.499 -0.843 131 HB3 ASN 20 2HB ASN 20 11.438 -11.470 -2.895 132 HD21 ASN 20 1HD2 ASN 20 11.405 -10.370 -4.923 133 HD22 ASN 20 2HD2 ASN 20 12.067 -8.749 -5.062 134 H VAL 21 H VAL 21 9.336 -8.017 -2.310 135 HA VAL 21 HA VAL 21 7.436 -9.073 -4.390 136 HB VAL 21 HB VAL 21 5.993 -7.165 -3.980 137 HG11 VAL 21 1HG1 VAL 21 6.065 -9.536 -2.191 138 HG12 VAL 21 2HG1 VAL 21 4.723 -8.371 -2.134 139 HG13 VAL 21 3HG1 VAL 21 5.082 -9.216 -3.636 140 HG21 VAL 21 3HG2 VAL 21 7.045 -7.315 -1.095 141 HG22 VAL 21 1HG2 VAL 21 7.500 -6.006 -2.201 142 HG23 VAL 21 2HG2 VAL 21 5.809 -6.215 -1.715 143 H LYS 22 H LYS 22 7.661 -8.012 -6.302 144 HA LYS 22 HA LYS 22 9.720 -5.857 -6.459 145 HB3 LYS 22 2HB LYS 22 10.737 -8.071 -6.629 146 HG3 LYS 22 2HG LYS 22 9.980 -9.149 -8.981 147 HD3 LYS 22 2HD LYS 22 8.747 -9.791 -6.260 148 HE3 LYS 22 2HE LYS 22 7.155 -10.376 -8.056 149 HZ1 LYS 22 3HZ LYS 22 8.708 -10.796 -9.913 150 HZ2 LYS 22 1HZ LYS 22 7.865 -12.158 -9.591 151 HZ3 LYS 22 2HZ LYS 22 9.423 -12.013 -9.085 152 H ASN 23 H ASN 23 6.803 -5.699 -6.948 153 HA ASN 23 HA ASN 23 6.682 -4.280 -9.336 154 HB3 ASN 23 2HB ASN 23 6.871 -6.195 -10.741 155 HD21 ASN 23 1HD2 ASN 23 4.347 -7.125 -8.423 156 HD22 ASN 23 2HD2 ASN 23 4.978 -8.757 -8.145 157 H ILE 24 H ILE 24 5.896 -3.583 -6.929 158 HA ILE 24 HA ILE 24 3.077 -4.325 -6.544 159 HB ILE 24 HB ILE 24 4.649 -2.400 -4.776 160 HG13 ILE 24 2HG1 ILE 24 4.815 -5.382 -4.974 161 HG21 ILE 24 1HG2 ILE 24 2.200 -4.175 -4.332 162 HG22 ILE 24 2HG2 ILE 24 2.960 -3.118 -3.128 163 HG23 ILE 24 3HG2 ILE 24 2.208 -2.404 -4.559 164 HD11 ILE 24 3HD1 ILE 24 6.711 -3.333 -4.850 165 HD12 ILE 24 1HD1 ILE 24 6.726 -4.048 -3.232 166 HD13 ILE 24 2HD1 ILE 24 6.997 -5.060 -4.662 167 H LYS 25 H LYS 25 1.566 -3.166 -7.459 168 HA LYS 25 HA LYS 25 2.158 -0.525 -8.690 169 HB3 LYS 25 2HB LYS 25 -0.349 -1.845 -9.457 170 HG3 LYS 25 2HG LYS 25 1.219 -2.240 -11.634 171 HD3 LYS 25 2HD LYS 25 -0.928 -0.826 -11.414 172 HE3 LYS 25 2HE LYS 25 0.048 1.049 -10.056 173 HZ1 LYS 25 3HZ LYS 25 1.824 1.149 -12.394 174 HZ2 LYS 25 1HZ LYS 25 2.114 1.534 -10.797 175 HZ3 LYS 25 2HZ LYS 25 1.317 2.581 -11.809 176 H VAL 26 H VAL 26 1.472 1.119 -7.250 177 HA VAL 26 HA VAL 26 -0.553 0.367 -5.229 178 HB VAL 26 HB VAL 26 1.455 2.675 -5.258 179 HG11 VAL 26 1HG1 VAL 26 -0.179 1.526 -2.948 180 HG12 VAL 26 2HG1 VAL 26 1.013 2.848 -2.858 181 HG13 VAL 26 3HG1 VAL 26 -0.457 3.084 -3.768 182 HG21 VAL 26 3HG2 VAL 26 2.734 0.666 -5.254 183 HG22 VAL 26 1HG2 VAL 26 2.776 1.358 -3.648 184 HG23 VAL 26 2HG2 VAL 26 1.727 -0.053 -3.962 185 H THR 27 H THR 27 -2.524 1.407 -5.196 186 HA THR 27 HA THR 27 -2.789 3.916 -6.789 187 HB THR 27 HB THR 27 -4.938 1.798 -6.377 188 HG1 THR 27 1HG THR 27 -4.371 1.632 -8.798 189 HG21 THR 27 3HG2 THR 27 -5.795 3.974 -6.986 190 HG22 THR 27 1HG2 THR 27 -5.904 2.938 -8.408 191 HG23 THR 27 2HG2 THR 27 -4.565 4.085 -8.287 192 H TRP 28 H TRP 28 -4.200 5.540 -5.844 193 HA TRP 28 HA TRP 28 -5.217 5.036 -3.100 194 HB3 TRP 28 2HB TRP 28 -3.061 5.868 -2.684 195 HD1 TRP 28 HD TRP 28 -3.892 9.425 -3.636 196 HE1 TRP 28 1HE TRP 28 -1.894 10.399 -4.843 197 HE3 TRP 28 3HE TRP 28 -1.429 5.078 -4.582 198 HZ2 TRP 28 2HZ TRP 28 0.638 9.380 -5.978 199 HZ3 TRP 28 3HZ TRP 28 0.738 5.077 -5.685 200 HH2 TRP 28 HH TRP 28 1.816 7.225 -6.356 201 H ASN 29 H ASN 29 -6.562 5.323 -5.574 202 HA ASN 29 HA ASN 29 -8.635 7.030 -5.261 203 HB3 ASN 29 2HB ASN 29 -7.343 8.640 -7.364 204 HD21 ASN 29 1HD2 ASN 29 -7.775 8.982 -3.854 205 HD22 ASN 29 2HD2 ASN 29 -8.994 10.218 -3.890 206 H ASP 30 H ASP 30 -8.872 7.871 -8.160 207 HA ASP 30 HA ASP 30 -9.395 5.194 -9.330 208 HB3 ASP 30 2HB ASP 30 -11.296 6.170 -10.459 209 H GLY 31 H GLY 31 -6.938 7.040 -9.511 210 HA2 GLY 31 1HA GLY 31 -6.160 6.163 -12.023 211 HA3 GLY 31 2HA GLY 31 -6.696 7.814 -12.318 212 H LYS 32 H LYS 32 -5.355 7.825 -9.236 213 HA LYS 32 HA LYS 32 -2.636 8.489 -10.199 214 HB3 LYS 32 2HB LYS 32 -2.550 8.934 -7.500 215 HG3 LYS 32 2HG LYS 32 -2.843 11.290 -7.854 216 HD3 LYS 32 2HD LYS 32 -1.237 11.783 -9.536 217 HE3 LYS 32 2HE LYS 32 -0.673 9.927 -7.559 218 HZ1 LYS 32 3HZ LYS 32 -0.382 8.095 -9.223 219 HZ2 LYS 32 1HZ LYS 32 1.052 8.611 -8.580 220 HZ3 LYS 32 2HZ LYS 32 0.669 9.105 -10.050 221 H GLU 33 H GLU 33 -1.648 6.572 -10.492 222 HA GLU 33 HA GLU 33 -1.036 5.061 -8.003 223 HB3 GLU 33 2HB GLU 33 -2.600 3.615 -9.036 224 HG3 GLU 33 2HG GLU 33 -2.075 2.657 -11.352 225 H GLN 34 H GLN 34 0.838 3.702 -8.360 226 HA GLN 34 HA GLN 34 2.880 4.610 -10.287 227 HB3 GLN 34 2HB GLN 34 2.949 6.271 -8.435 228 HG3 GLN 34 2HG GLN 34 2.481 4.427 -6.600 229 HE21 GLN 34 1HE2 GLN 34 5.929 5.365 -6.940 230 HE22 GLN 34 2HE2 GLN 34 6.546 3.887 -6.217 231 H THR 35 H THR 35 5.144 3.270 -9.357 232 HA THR 35 HA THR 35 4.284 0.863 -8.026 233 HB THR 35 HB THR 35 3.972 -0.016 -10.150 234 HG1 THR 35 1HG THR 35 6.658 -0.679 -9.576 235 HG21 THR 35 3HG2 THR 35 4.795 1.622 -11.625 236 HG22 THR 35 1HG2 THR 35 5.656 0.131 -12.023 237 HG23 THR 35 2HG2 THR 35 6.471 1.401 -11.063 238 H VAL 36 H VAL 36 5.922 -0.199 -6.940 239 HA VAL 36 HA VAL 36 8.163 1.542 -6.135 240 HB VAL 36 HB VAL 36 6.987 -1.102 -5.131 241 HG11 VAL 36 1HG1 VAL 36 8.447 -0.760 -3.115 242 HG12 VAL 36 2HG1 VAL 36 9.349 -1.214 -4.546 243 HG13 VAL 36 3HG1 VAL 36 9.348 0.479 -4.007 244 HG21 VAL 36 3HG2 VAL 36 7.005 1.782 -4.087 245 HG22 VAL 36 1HG2 VAL 36 5.599 0.862 -4.659 246 HG23 VAL 36 2HG2 VAL 36 6.406 0.405 -3.168 247 H ASN 37 H ASN 37 10.399 0.430 -5.999 248 HA ASN 37 HA ASN 37 11.079 -0.941 -8.486 249 HB3 ASN 37 2HB ASN 37 12.771 -0.337 -6.047 250 HD21 ASN 37 1HD2 ASN 37 14.576 -1.680 -6.010 251 HD22 ASN 37 2HD2 ASN 37 15.284 -2.391 -7.460 252 H THR 38 H THR 38 12.043 -1.994 -5.185 253 HA THR 38 HA THR 38 10.471 -4.405 -5.313 254 HB THR 38 HB THR 38 13.540 -4.368 -5.380 255 HG1 THR 38 1HG THR 38 12.589 -4.364 -7.440 256 HG21 THR 38 3HG2 THR 38 11.662 -6.713 -4.925 257 HG22 THR 38 1HG2 THR 38 12.885 -6.082 -3.799 258 HG23 THR 38 2HG2 THR 38 13.397 -6.860 -5.299 259 H LEU 39 H LEU 39 10.426 -5.394 -3.160 260 HA LEU 39 HA LEU 39 11.558 -3.780 -0.976 261 HB3 LEU 39 2HB LEU 39 9.048 -5.146 -0.273 262 HG LEU 39 HG LEU 39 9.735 -3.559 1.273 263 HD11 LEU 39 1HD1 LEU 39 11.196 -1.989 0.016 264 HD12 LEU 39 2HD1 LEU 39 9.884 -1.050 0.686 265 HD13 LEU 39 3HD1 LEU 39 9.843 -1.521 -1.023 266 HD21 LEU 39 3HD2 LEU 39 7.231 -3.562 0.552 267 HD22 LEU 39 1HD2 LEU 39 7.588 -1.913 0.000 268 HD23 LEU 39 2HD2 LEU 39 7.849 -2.358 1.690 269 H GLY 40 H GLY 40 12.993 -4.998 -0.080 270 HA2 GLY 40 1HA GLY 40 13.178 -7.861 -0.277 271 HA3 GLY 40 2HA GLY 40 14.112 -6.783 0.790 272 H SER 41 H SER 41 13.541 -8.991 2.091 273 HA SER 41 HA SER 41 10.942 -9.269 3.207 274 HB3 SER 41 2HB SER 41 11.862 -10.896 4.487 275 HG SER 41 HG SER 41 13.728 -11.767 3.683 276 H HIS 42 H HIS 42 9.932 -8.062 4.741 277 HA HIS 42 HA HIS 42 9.475 -6.468 6.209 278 HB3 HIS 42 2HB HIS 42 11.747 -6.409 7.913 279 HD1 HIS 42 1HD HIS 42 9.774 -5.523 9.497 280 HD2 HIS 42 2HD HIS 42 9.307 -9.423 7.924 281 HE1 HIS 42 1HE HIS 42 7.825 -6.571 10.742 282 H ASP 43 H ASP 43 10.882 -5.587 3.697 283 HA ASP 43 HA ASP 43 12.420 -3.287 4.708 284 HB3 ASP 43 2HB ASP 43 11.691 -3.362 1.836 285 H SER 44 H SER 44 11.783 -1.307 3.422 286 HA SER 44 HA SER 44 8.929 -0.849 3.120 287 HB3 SER 44 2HB SER 44 8.886 -0.663 5.493 288 HG SER 44 HG SER 44 10.862 -0.282 6.171 289 H ILE 45 H ILE 45 8.298 1.243 2.323 290 HA ILE 45 HA ILE 45 10.370 3.174 1.741 291 HB ILE 45 HB ILE 45 10.684 1.728 -0.154 292 HG13 ILE 45 2HG1 ILE 45 10.711 4.257 -0.361 293 HG21 ILE 45 1HG2 ILE 45 7.743 2.093 -0.902 294 HG22 ILE 45 2HG2 ILE 45 8.972 1.186 -1.800 295 HG23 ILE 45 3HG2 ILE 45 8.428 0.606 -0.227 296 HD11 ILE 45 3HD1 ILE 45 9.971 2.962 -2.996 297 HD12 ILE 45 1HD1 ILE 45 11.147 4.252 -2.658 298 HD13 ILE 45 2HD1 ILE 45 11.484 2.600 -2.135 299 H ASP 46 H ASP 46 9.553 5.201 1.499 300 HA ASP 46 HA ASP 46 6.633 5.509 1.572 301 HB3 ASP 46 2HB ASP 46 7.350 6.132 3.755 302 H PHE 47 H PHE 47 5.807 7.077 0.396 303 HA PHE 47 HA PHE 47 7.599 8.787 -1.229 304 HB3 PHE 47 2HB PHE 47 7.518 7.108 -2.776 305 HD1 PHE 47 2HD PHE 47 7.064 4.913 -1.738 306 HD2 PHE 47 1HD PHE 47 3.902 7.379 -3.347 307 HE1 PHE 47 2HE PHE 47 5.529 2.964 -1.721 308 HE2 PHE 47 1HE PHE 47 2.387 5.390 -3.372 309 HZ PHE 47 HZ PHE 47 3.193 3.227 -2.472 310 H SER 48 H SER 48 6.756 10.672 -1.871 311 HA SER 48 HA SER 48 4.367 11.721 -0.646 312 HB3 SER 48 2HB SER 48 5.933 12.966 -2.948 313 HG SER 48 HG SER 48 4.469 14.431 -2.197 314 H SER 49 H SER 49 2.356 11.624 -1.445 315 HA SER 49 HA SER 49 1.790 10.363 -4.034 316 HB3 SER 49 2HB SER 49 -0.059 9.568 -3.000 317 HG SER 49 HG SER 49 0.928 10.850 -0.678 318 H ASP 50 H ASP 50 0.038 11.489 -5.351 319 HA ASP 50 HA ASP 50 0.469 14.441 -5.356 320 HB3 ASP 50 2HB ASP 50 0.544 14.241 -7.762 321 H ALA 51 H ALA 51 -1.692 13.986 -3.932 322 HA ALA 51 HA ALA 51 -4.009 14.415 -5.738 323 HB1 ALA 51 1HB ALA 51 -3.870 12.178 -3.687 324 HB2 ALA 51 2HB ALA 51 -5.255 12.587 -4.728 325 HB3 ALA 51 3HB ALA 51 -3.739 11.982 -5.464 326 H GLY 52 H GLY 52 -2.438 15.097 -2.746 327 HA2 GLY 52 1HA GLY 52 -2.994 16.925 -1.415 328 HA3 GLY 52 2HA GLY 52 -4.675 16.868 -1.951 329 H SER 53 H SER 53 -5.667 14.517 -1.454 330 HA SER 53 HA SER 53 -4.973 13.744 1.338 331 HB3 SER 53 2HB SER 53 -6.959 14.965 1.534 332 HG SER 53 HG SER 53 -7.916 15.032 -0.453 333 H VAL 54 H VAL 54 -6.463 11.443 1.549 334 HA VAL 54 HA VAL 54 -6.631 9.916 -0.817 335 HB VAL 54 HB VAL 54 -4.883 8.828 1.452 336 HG11 VAL 54 1HG1 VAL 54 -6.272 7.022 0.656 337 HG12 VAL 54 2HG1 VAL 54 -6.004 7.460 -1.056 338 HG13 VAL 54 3HG1 VAL 54 -4.699 6.793 -0.061 339 HG21 VAL 54 3HG2 VAL 54 -3.457 10.130 0.045 340 HG22 VAL 54 1HG2 VAL 54 -3.187 8.451 -0.406 341 HG23 VAL 54 2HG2 VAL 54 -4.195 9.496 -1.429 342 H TYR 55 H TYR 55 -8.314 8.375 -0.395 343 HA TYR 55 HA TYR 55 -9.007 7.852 2.390 344 HB3 TYR 55 2HB TYR 55 -10.458 9.533 2.194 345 HD1 TYR 55 2HD TYR 55 -10.676 7.745 -1.118 346 HD2 TYR 55 1HD TYR 55 -11.809 11.182 1.191 347 HE1 TYR 55 2HE TYR 55 -11.337 8.914 -3.217 348 HE2 TYR 55 1HE TYR 55 -12.588 12.316 -0.851 349 HH TYR 55 HH TYR 55 -12.903 12.134 -3.151 350 H LYS 56 H LYS 56 -8.008 6.406 -0.279 351 HA LYS 56 HA LYS 56 -9.394 3.928 0.195 352 HB3 LYS 56 2HB LYS 56 -10.959 5.066 -1.319 353 HG3 LYS 56 2HG LYS 56 -8.900 5.070 -3.540 354 HD3 LYS 56 2HD LYS 56 -10.568 6.756 -4.461 355 HE3 LYS 56 2HE LYS 56 -11.857 4.071 -3.843 356 HZ1 LYS 56 3HZ LYS 56 -13.091 4.504 -5.799 357 HZ2 LYS 56 1HZ LYS 56 -12.177 5.727 -6.266 358 HZ3 LYS 56 2HZ LYS 56 -13.158 5.943 -4.972 359 H MET 57 H MET 57 -8.288 2.159 -1.173 360 HA MET 57 HA MET 57 -5.815 2.931 -2.500 361 HB3 MET 57 2HB MET 57 -5.806 1.034 -0.097 362 HG3 MET 57 2HG MET 57 -3.806 1.490 -2.201 363 HE1 MET 57 3HE MET 57 -3.521 4.097 -0.401 364 HE2 MET 57 1HE MET 57 -1.777 4.150 -0.115 365 HE3 MET 57 2HE MET 57 -2.395 3.731 -1.731 366 H ASP 58 H ASP 58 -5.331 1.405 -4.075 367 HA ASP 58 HA ASP 58 -6.737 -1.213 -4.127 368 HB3 ASP 58 2HB ASP 58 -7.309 -0.825 -6.547 369 H VAL 59 H VAL 59 -4.630 -1.740 -3.511 370 HA VAL 59 HA VAL 59 -2.425 -1.325 -5.439 371 HB VAL 59 HB VAL 59 -2.127 -1.376 -3.000 372 HG11 VAL 59 1HG1 VAL 59 -3.374 -2.742 -2.114 373 HG12 VAL 59 2HG1 VAL 59 -2.663 -4.222 -2.910 374 HG13 VAL 59 3HG1 VAL 59 -1.767 -3.280 -1.676 375 HG21 VAL 59 3HG2 VAL 59 0.016 -2.495 -2.927 376 HG22 VAL 59 1HG2 VAL 59 -0.447 -3.496 -4.322 377 HG23 VAL 59 2HG2 VAL 59 -0.200 -1.740 -4.506 378 H THR 60 H THR 60 -1.352 -3.107 -6.469 379 HA THR 60 HA THR 60 -2.438 -5.747 -6.217 380 HB THR 60 HB THR 60 -3.969 -5.189 -7.844 381 HG1 THR 60 1HG THR 60 -3.351 -6.380 -9.614 382 HG21 THR 60 3HG2 THR 60 -3.519 -3.990 -9.905 383 HG22 THR 60 1HG2 THR 60 -1.921 -3.524 -9.221 384 HG23 THR 60 2HG2 THR 60 -3.430 -3.048 -8.411 385 H GLY 61 H GLY 61 -0.671 -7.115 -6.251 386 HA2 GLY 61 1HA GLY 61 1.749 -6.395 -7.676 387 HA3 GLY 61 2HA GLY 61 1.874 -6.205 -5.909 388 H THR 62 H THR 62 3.511 -8.069 -7.000 389 HA THR 62 HA THR 62 2.208 -10.650 -6.521 390 HB THR 62 HB THR 62 4.140 -10.284 -8.793 391 HG1 THR 62 1HG THR 62 2.735 -9.622 -10.110 392 HG21 THR 62 3HG2 THR 62 2.973 -12.201 -9.730 393 HG22 THR 62 1HG2 THR 62 1.851 -12.231 -8.364 394 HG23 THR 62 2HG2 THR 62 3.574 -12.563 -8.092 395 H THR 63 H THR 63 3.454 -12.130 -5.485 396 HA THR 63 HA THR 63 5.825 -11.155 -4.143 397 HB THR 63 HB THR 63 5.477 -13.041 -2.711 398 HG1 THR 63 1HG THR 63 3.704 -14.527 -3.336 399 HG21 THR 63 3HG2 THR 63 3.298 -12.694 -1.910 400 HG22 THR 63 1HG2 THR 63 2.618 -12.313 -3.500 401 HG23 THR 63 2HG2 THR 63 3.705 -11.163 -2.665 402 H GLN 64 H GLN 64 7.765 -12.579 -3.882 403 HA GLN 64 HA GLN 64 8.859 -13.455 -6.342 404 HB3 GLN 64 2HB GLN 64 9.686 -14.077 -3.483 405 HG3 GLN 64 2HG GLN 64 11.998 -13.959 -4.779 406 HE21 GLN 64 1HE2 GLN 64 11.575 -15.390 -2.727 407 HE22 GLN 64 2HE2 GLN 64 11.507 -17.104 -3.068 408 H SER 65 H SER 65 6.939 -15.152 -3.895 409 HA SER 65 HA SER 65 7.262 -17.812 -4.963 410 HB3 SER 65 2HB SER 65 4.778 -16.980 -3.468 411 HG SER 65 HG SER 65 5.197 -19.021 -2.479 412 H GLY 66 H GLY 66 5.817 -15.045 -6.377 413 HA2 GLY 66 1HA GLY 66 4.761 -14.948 -8.390 414 HA3 GLY 66 2HA GLY 66 4.676 -16.713 -8.432 415 H GLU 67 H GLU 67 3.331 -14.884 -5.695 416 HA GLU 67 HA GLU 67 0.571 -15.593 -6.608 417 HB3 GLU 67 2HB GLU 67 0.048 -15.172 -4.163 418 HG3 GLU 67 2HG GLU 67 2.002 -17.413 -4.694 419 H LYS 68 H LYS 68 -1.012 -13.906 -6.557 420 HA LYS 68 HA LYS 68 0.133 -11.213 -6.570 421 HB3 LYS 68 2HB LYS 68 -2.142 -12.283 -8.239 422 HG3 LYS 68 2HG LYS 68 -0.352 -9.890 -8.503 423 HD3 LYS 68 2HD LYS 68 -2.948 -10.356 -9.997 424 HE3 LYS 68 2HE LYS 68 -1.640 -8.126 -9.930 425 HZ1 LYS 68 3HZ LYS 68 0.255 -8.003 -11.322 426 HZ2 LYS 68 1HZ LYS 68 0.049 -9.554 -11.866 427 HZ3 LYS 68 2HZ LYS 68 0.546 -9.264 -10.306 428 H PHE 69 H PHE 69 -0.827 -9.825 -5.375 429 HA PHE 69 HA PHE 69 -3.365 -10.531 -3.939 430 HB3 PHE 69 2HB PHE 69 -1.511 -10.768 -2.381 431 HD1 PHE 69 1HD PHE 69 0.722 -10.445 -3.408 432 HD2 PHE 69 2HD PHE 69 -1.609 -7.142 -1.910 433 HE1 PHE 69 1HE PHE 69 2.752 -8.976 -3.579 434 HE2 PHE 69 2HE PHE 69 0.394 -5.601 -2.268 435 HZ PHE 69 HZ PHE 69 2.644 -6.602 -3.028 436 H THR 70 H THR 70 -4.748 -8.757 -3.580 437 HA THR 70 HA THR 70 -3.844 -6.024 -4.436 438 HB THR 70 HB THR 70 -6.101 -5.669 -5.336 439 HG1 THR 70 1HG THR 70 -6.608 -8.338 -4.549 440 HG21 THR 70 3HG2 THR 70 -5.972 -6.582 -7.376 441 HG22 THR 70 1HG2 THR 70 -5.491 -8.211 -6.777 442 HG23 THR 70 2HG2 THR 70 -4.315 -6.904 -6.762 443 H GLY 71 H GLY 71 -4.729 -4.482 -3.526 444 HA2 GLY 71 1HA GLY 71 -5.667 -5.055 -0.730 445 HA3 GLY 71 2HA GLY 71 -4.396 -3.998 -1.126 446 H HIS 72 H HIS 72 -7.541 -4.779 -1.257 447 HA HIS 72 HA HIS 72 -8.565 -2.247 -2.612 448 HB3 HIS 72 2HB HIS 72 -10.781 -3.372 -2.637 449 HD1 HIS 72 1HD HIS 72 -9.547 -2.545 -5.079 450 HD2 HIS 72 2HD HIS 72 -9.374 -6.586 -3.811 451 HE1 HIS 72 1HE HIS 72 -9.070 -3.985 -7.146 452 H PHE 73 H PHE 73 -8.857 -0.643 -1.179 453 HA PHE 73 HA PHE 73 -10.009 -1.243 1.495 454 HB3 PHE 73 2HB PHE 73 -8.263 0.162 2.521 455 HD1 PHE 73 1HD PHE 73 -8.605 -2.181 3.495 456 HD2 PHE 73 2HD PHE 73 -5.757 -1.389 0.385 457 HE1 PHE 73 1HE PHE 73 -7.418 -4.284 4.046 458 HE2 PHE 73 2HE PHE 73 -4.617 -3.618 0.955 459 HZ PHE 73 HZ PHE 73 -5.430 -4.978 2.666 460 H LYS 74 H LYS 74 -11.266 0.467 2.306 461 HA LYS 74 HA LYS 74 -11.128 3.090 1.014 462 HB3 LYS 74 2HB LYS 74 -13.866 2.843 1.225 463 HG3 LYS 74 2HG LYS 74 -12.258 2.189 -1.263 464 HD3 LYS 74 2HD LYS 74 -14.063 3.523 -2.372 465 HE3 LYS 74 2HE LYS 74 -15.102 1.095 -0.845 466 HZ1 LYS 74 3HZ LYS 74 -16.257 0.770 -2.980 467 HZ2 LYS 74 1HZ LYS 74 -15.860 2.298 -3.433 468 HZ3 LYS 74 2HZ LYS 74 -16.813 2.062 -2.101 469 H GLY 75 H GLY 75 -12.976 4.430 2.331 470 HA2 GLY 75 1HA GLY 75 -13.279 5.517 4.264 471 HA3 GLY 75 2HA GLY 75 -13.393 3.920 5.037 472 H LEU 76 H LEU 76 -10.769 5.878 3.497 473 HA LEU 76 HA LEU 76 -9.070 5.247 5.875 474 HB3 LEU 76 2HB LEU 76 -7.161 5.641 4.438 475 HG LEU 76 HG LEU 76 -9.112 3.871 2.881 476 HD11 LEU 76 1HD1 LEU 76 -7.184 2.729 2.030 477 HD12 LEU 76 2HD1 LEU 76 -6.101 3.652 3.083 478 HD13 LEU 76 3HD1 LEU 76 -6.944 4.467 1.752 479 HD21 LEU 76 3HD2 LEU 76 -7.269 3.060 5.157 480 HD22 LEU 76 1HD2 LEU 76 -8.263 1.963 4.168 481 HD23 LEU 76 2HD2 LEU 76 -9.042 3.116 5.242 482 H VAL 77 H VAL 77 -8.327 6.871 7.105 483 HA VAL 77 HA VAL 77 -9.093 9.654 6.340 484 HB VAL 77 HB VAL 77 -9.435 9.929 8.880 485 HG11 VAL 77 1HG1 VAL 77 -11.210 10.079 7.259 486 HG12 VAL 77 2HG1 VAL 77 -11.373 8.311 7.187 487 HG13 VAL 77 3HG1 VAL 77 -11.780 9.183 8.681 488 HG21 VAL 77 3HG2 VAL 77 -10.144 8.009 10.144 489 HG22 VAL 77 1HG2 VAL 77 -9.878 6.913 8.783 490 HG23 VAL 77 2HG2 VAL 77 -8.492 7.705 9.577 491 H GLY 78 H GLY 78 -7.997 11.364 7.544 492 HA2 GLY 78 1HA GLY 78 -6.127 12.362 8.478 493 HA3 GLY 78 2HA GLY 78 -5.320 10.791 8.593 494 H LYS 79 H LYS 79 -3.700 12.580 7.808 495 HA LYS 79 HA LYS 79 -3.679 12.870 4.862 496 HB3 LYS 79 2HB LYS 79 -1.595 14.407 5.982 497 HG3 LYS 79 2HG LYS 79 -4.477 14.983 5.198 498 HD3 LYS 79 2HD LYS 79 -2.301 16.928 6.054 499 HE3 LYS 79 2HE LYS 79 -4.624 17.300 4.178 500 HZ1 LYS 79 3HZ LYS 79 -4.519 19.665 4.666 501 HZ2 LYS 79 1HZ LYS 79 -3.525 19.415 5.939 502 HZ3 LYS 79 2HZ LYS 79 -5.074 18.801 5.939 503 H ASP 80 H ASP 80 -2.993 10.351 6.297 504 HA ASP 80 HA ASP 80 -0.616 9.751 4.716 505 HB3 ASP 80 2HB ASP 80 0.446 10.285 6.857 506 H THR 81 H THR 81 -0.321 7.422 4.474 507 HA THR 81 HA THR 81 -2.347 5.558 5.379 508 HB THR 81 HB THR 81 -1.881 5.881 2.385 509 HG1 THR 81 1HG THR 81 -2.878 7.744 2.726 510 HG21 THR 81 3HG2 THR 81 -2.892 3.778 3.174 511 HG22 THR 81 1HG2 THR 81 -4.101 4.747 2.318 512 HG23 THR 81 2HG2 THR 81 -4.098 4.714 4.100 513 H ARG 82 H ARG 82 -1.611 3.327 4.615 514 HA ARG 82 HA ARG 82 0.967 3.032 3.545 515 HB3 ARG 82 2HB ARG 82 2.096 3.343 5.539 516 HG3 ARG 82 2HG ARG 82 -0.350 2.459 7.027 517 HD3 ARG 82 2HD ARG 82 2.524 2.748 7.929 518 HE ARG 82 HE ARG 82 0.175 3.707 9.344 519 HH11 ARG 82 1HH1 ARG 82 3.476 2.374 9.861 520 HH12 ARG 82 2HH1 ARG 82 3.789 3.420 11.185 521 HH21 ARG 82 1HH2 ARG 82 0.563 4.970 11.006 522 HH22 ARG 82 2HH2 ARG 82 2.129 5.106 11.750 523 H VAL 83 H VAL 83 1.546 0.480 3.935 524 HA VAL 83 HA VAL 83 -0.943 -1.132 3.732 525 HB VAL 83 HB VAL 83 1.395 -1.092 1.794 526 HG11 VAL 83 1HG1 VAL 83 0.716 -3.395 2.049 527 HG12 VAL 83 2HG1 VAL 83 -0.999 -2.929 2.039 528 HG13 VAL 83 3HG1 VAL 83 -0.044 -2.816 0.554 529 HG21 VAL 83 3HG2 VAL 83 -0.184 0.714 1.292 530 HG22 VAL 83 1HG2 VAL 83 -0.350 -0.557 0.084 531 HG23 VAL 83 2HG2 VAL 83 -1.547 -0.417 1.390 532 H PHE 84 H PHE 84 -0.765 -2.902 5.135 533 HA PHE 84 HA PHE 84 1.943 -3.879 5.862 534 HB3 PHE 84 2HB PHE 84 0.683 -5.094 7.634 535 HD1 PHE 84 1HD PHE 84 2.211 -2.182 7.084 536 HD2 PHE 84 2HD PHE 84 -0.792 -3.719 9.721 537 HE1 PHE 84 1HE PHE 84 2.749 -0.393 8.672 538 HE2 PHE 84 2HE PHE 84 -0.205 -1.992 11.381 539 HZ PHE 84 HZ PHE 84 1.568 -0.315 10.873 540 H ILE 85 H ILE 85 2.486 -5.259 4.374 541 HA ILE 85 HA ILE 85 0.598 -7.243 3.221 542 HB ILE 85 HB ILE 85 3.645 -7.139 3.136 543 HG13 ILE 85 2HG1 ILE 85 2.669 -5.209 1.847 544 HG21 ILE 85 1HG2 ILE 85 3.612 -8.970 1.766 545 HG22 ILE 85 2HG2 ILE 85 2.181 -9.360 2.722 546 HG23 ILE 85 3HG2 ILE 85 1.958 -8.663 1.139 547 HD11 ILE 85 3HD1 ILE 85 3.638 -5.890 -0.445 548 HD12 ILE 85 1HD1 ILE 85 4.745 -5.986 0.943 549 HD13 ILE 85 2HD1 ILE 85 4.020 -7.437 0.235 550 H GLU 86 H GLU 86 0.341 -9.197 4.324 551 HA GLU 86 HA GLU 86 2.376 -10.193 6.040 552 HB3 GLU 86 2HB GLU 86 1.253 -9.025 7.788 553 HG3 GLU 86 2HG GLU 86 -1.315 -10.132 6.623 554 H LEU 87 H LEU 87 1.102 -12.476 6.926 555 HA LEU 87 HA LEU 87 -0.064 -13.664 4.469 556 HB3 LEU 87 2HB LEU 87 0.722 -15.817 5.184 557 HG LEU 87 HG LEU 87 3.088 -13.902 5.467 558 HD11 LEU 87 1HD1 LEU 87 3.525 -16.112 6.444 559 HD12 LEU 87 2HD1 LEU 87 4.472 -15.856 4.970 560 HD13 LEU 87 3HD1 LEU 87 3.025 -16.886 4.915 561 HD21 LEU 87 3HD2 LEU 87 1.980 -13.682 3.282 562 HD22 LEU 87 1HD2 LEU 87 2.022 -15.441 3.058 563 HD23 LEU 87 2HD2 LEU 87 3.538 -14.509 3.111 564 H ASP 88 H ASP 88 -1.815 -15.181 4.943 565 HA ASP 88 HA ASP 88 -2.615 -15.619 7.637 566 HB3 ASP 88 2HB ASP 88 -4.859 -14.336 6.096 567 H GLU 89 H GLU 89 -5.103 -16.609 7.232 568 HA GLU 89 HA GLU 89 -6.434 -18.177 6.540 569 HB3 GLU 89 2HB GLU 89 -7.113 -18.320 4.371 570 HG3 GLU 89 2HG GLU 89 -6.806 -16.287 3.106 571 H ASN 90 H ASN 90 -3.788 -18.984 4.372 572 HA ASN 90 HA ASN 90 -3.136 -21.457 5.883 573 HB3 ASN 90 2HB ASN 90 -3.286 -22.942 4.010 574 HD21 ASN 90 1HD2 ASN 90 -5.708 -20.822 2.807 575 HD22 ASN 90 2HD2 ASN 90 -7.104 -21.671 3.404 576 H ALA 91 H ALA 91 -1.680 -19.239 5.908 577 HA ALA 91 HA ALA 91 0.324 -18.276 5.516 578 HB1 ALA 91 1HB ALA 91 1.269 -20.852 4.221 579 HB2 ALA 91 2HB ALA 91 2.211 -19.648 5.113 580 HB3 ALA 91 3HB ALA 91 1.073 -20.699 5.973 581 H ASP 92 H ASP 92 -1.674 -17.675 3.833 582 HA ASP 92 HA ASP 92 -0.725 -17.696 1.002 583 HB3 ASP 92 2HB ASP 92 -3.068 -17.037 0.524 584 H VAL 93 H VAL 93 -1.028 -15.556 -0.116 585 HA VAL 93 HA VAL 93 0.038 -13.473 1.612 586 HB VAL 93 HB VAL 93 -0.776 -13.273 -1.317 587 HG11 VAL 93 1HG1 VAL 93 -0.410 -11.087 -0.394 588 HG12 VAL 93 2HG1 VAL 93 0.995 -11.628 0.506 589 HG13 VAL 93 3HG1 VAL 93 1.076 -11.491 -1.272 590 HG21 VAL 93 3HG2 VAL 93 1.409 -13.816 -1.988 591 HG22 VAL 93 1HG2 VAL 93 1.981 -13.916 -0.313 592 HG23 VAL 93 2HG2 VAL 93 0.877 -15.152 -0.979 593 H GLN 94 H GLN 94 -1.144 -12.011 2.659 594 HA GLN 94 HA GLN 94 -3.698 -11.072 1.392 595 HB3 GLN 94 2HB GLN 94 -4.685 -10.719 3.580 596 HG3 GLN 94 2HG GLN 94 -4.998 -12.965 4.379 597 HE21 GLN 94 1HE2 GLN 94 -4.229 -15.028 2.200 598 HE22 GLN 94 2HE2 GLN 94 -5.211 -14.654 0.816 599 H VAL 95 H VAL 95 -4.352 -8.953 2.447 600 HA VAL 95 HA VAL 95 -2.081 -7.150 2.943 601 HB VAL 95 HB VAL 95 -2.620 -6.603 0.710 602 HG11 VAL 95 1HG1 VAL 95 -4.734 -7.672 0.572 603 HG12 VAL 95 2HG1 VAL 95 -5.383 -6.133 0.929 604 HG13 VAL 95 3HG1 VAL 95 -4.138 -6.420 -0.442 605 HG21 VAL 95 3HG2 VAL 95 -1.703 -5.076 2.118 606 HG22 VAL 95 1HG2 VAL 95 -2.645 -4.398 0.834 607 HG23 VAL 95 2HG2 VAL 95 -3.274 -4.414 2.510 608 H PHE 96 H PHE 96 -2.330 -5.828 4.586 609 HA PHE 96 HA PHE 96 -4.923 -5.470 5.887 610 HB3 PHE 96 2HB PHE 96 -2.250 -5.854 7.321 611 HD1 PHE 96 1HD PHE 96 -5.752 -7.205 7.637 612 HD2 PHE 96 2HD PHE 96 -2.777 -4.615 9.384 613 HE1 PHE 96 1HE PHE 96 -7.328 -6.618 9.460 614 HE2 PHE 96 2HE PHE 96 -4.357 -4.049 11.219 615 HZ PHE 96 HZ PHE 96 -6.651 -4.996 11.220 616 H ILE 97 H ILE 97 -4.731 -3.521 7.452 617 HA ILE 97 HA ILE 97 -2.584 -1.665 6.915 618 HB ILE 97 HB ILE 97 -4.453 0.137 6.526 619 HG13 ILE 97 2HG1 ILE 97 -6.367 -1.465 6.695 620 HG21 ILE 97 1HG2 ILE 97 -3.737 -1.518 4.096 621 HG22 ILE 97 2HG2 ILE 97 -3.914 0.253 4.240 622 HG23 ILE 97 3HG2 ILE 97 -2.556 -0.552 5.020 623 HD11 ILE 97 3HD1 ILE 97 -6.180 -0.065 3.993 624 HD12 ILE 97 1HD1 ILE 97 -7.657 -0.476 4.897 625 HD13 ILE 97 2HD1 ILE 97 -6.551 0.759 5.513 626 HA PRO 98 HA PRO 98 -3.964 -0.670 11.017 627 HB3 PRO 98 2HB PRO 98 -1.749 -0.181 11.500 628 HG3 PRO 98 2HG PRO 98 -0.374 0.957 9.931 629 HD3 PRO 98 2HD PRO 98 -1.138 -0.738 8.496 630 H GLN 99 H GLN 99 -6.080 -0.129 10.539 631 HA GLN 99 HA GLN 99 -6.704 2.780 10.276 632 HB3 GLN 99 2HB GLN 99 -9.069 1.857 9.677 633 HG3 GLN 99 2HG GLN 99 -8.544 1.519 7.309 634 HE21 GLN 99 1HE2 GLN 99 -5.745 3.273 7.443 635 HE22 GLN 99 2HE2 GLN 99 -6.372 4.904 7.444 636 H GLY 100 H GLY 100 -9.124 2.890 11.431 637 HA2 GLY 100 1HA GLY 100 -9.500 1.215 13.716 638 HA3 GLY 100 2HA GLY 100 -8.777 2.768 14.202 639 H GLU 101 H GLU 101 -9.735 4.661 13.042 640 HA GLU 101 HA GLU 101 -12.602 4.958 13.443 641 HB3 GLU 101 2HB GLU 101 -12.135 7.243 12.524 642 HG3 GLU 101 2HG GLU 101 -9.898 7.652 14.067 643 H ILE 102 H ILE 102 -12.979 3.000 11.800 644 HA ILE 102 HA ILE 102 -13.872 4.314 9.349 645 HB ILE 102 HB ILE 102 -11.977 3.106 8.643 646 HG13 ILE 102 2HG1 ILE 102 -14.053 3.061 7.417 647 HG21 ILE 102 1HG2 ILE 102 -11.595 1.610 10.541 648 HG22 ILE 102 2HG2 ILE 102 -12.963 0.588 10.022 649 HG23 ILE 102 3HG2 ILE 102 -11.517 0.752 8.999 650 HD11 ILE 102 3HD1 ILE 102 -13.490 1.383 5.757 651 HD12 ILE 102 1HD1 ILE 102 -11.953 1.948 6.453 652 HD13 ILE 102 2HD1 ILE 102 -12.648 0.393 6.956 653 H ASP 103 H ASP 103 -15.869 4.676 10.132 654 HA ASP 103 HA ASP 103 -17.476 2.572 11.422 655 HB3 ASP 103 2HB ASP 103 -19.311 4.378 10.993 Start of MODEL 11 1 H1 GLY 1 H GLY 1 2.793 22.323 13.603 2 HA2 GLY 1 1HA GLY 1 4.758 22.923 12.189 3 HA3 GLY 1 2HA GLY 1 4.196 21.653 11.093 4 H ALA 2 H ALA 2 4.062 23.239 9.440 5 HA ALA 2 HA ALA 2 2.186 25.467 9.622 6 HB1 ALA 2 1HB ALA 2 2.707 25.703 7.207 7 HB2 ALA 2 2HB ALA 2 4.177 25.657 8.194 8 HB3 ALA 2 3HB ALA 2 3.679 24.219 7.270 9 H GLN 3 H GLN 3 0.052 25.245 9.270 10 HA GLN 3 HA GLN 3 -0.971 22.566 8.603 11 HB3 GLN 3 2HB GLN 3 -3.164 23.591 9.183 12 HG3 GLN 3 2HG GLN 3 -2.721 24.000 11.566 13 HE21 GLN 3 1HE2 GLN 3 -3.683 21.850 11.569 14 HE22 GLN 3 2HE2 GLN 3 -2.672 20.439 11.549 15 H ASP 4 H ASP 4 -0.020 25.163 6.670 16 HA ASP 4 HA ASP 4 -1.644 24.172 4.407 17 HB3 ASP 4 2HB ASP 4 -1.441 27.097 5.207 18 H GLY 5 H GLY 5 0.303 23.077 4.202 19 HA2 GLY 5 1HA GLY 5 2.512 24.399 2.840 20 HA3 GLY 5 2HA GLY 5 2.853 23.922 4.516 21 H LYS 6 H LYS 6 0.708 21.570 3.477 22 HA LYS 6 HA LYS 6 2.046 20.593 1.203 23 HB3 LYS 6 2HB LYS 6 2.017 18.647 3.557 24 HG3 LYS 6 2HG LYS 6 2.657 18.452 0.594 25 HD3 LYS 6 2HD LYS 6 3.363 16.417 2.736 26 HE3 LYS 6 2HE LYS 6 2.771 15.390 0.572 27 HZ1 LYS 6 3HZ LYS 6 3.247 17.030 -0.994 28 HZ2 LYS 6 1HZ LYS 6 4.326 15.854 -1.314 29 HZ3 LYS 6 2HZ LYS 6 4.777 17.251 -0.517 30 H GLU 7 H GLU 7 0.323 20.320 -0.032 31 HA GLU 7 HA GLU 7 -2.296 19.964 1.315 32 HB3 GLU 7 2HB GLU 7 -2.022 21.172 -1.404 33 HG3 GLU 7 2HG GLU 7 -3.494 22.237 1.052 34 H THR 8 H THR 8 -0.561 17.888 0.434 35 HA THR 8 HA THR 8 -2.219 16.407 -1.520 36 HB THR 8 HB THR 8 -0.054 15.622 -2.473 37 HG1 THR 8 1HG THR 8 1.664 17.270 -2.090 38 HG21 THR 8 3HG2 THR 8 -1.273 17.356 -3.668 39 HG22 THR 8 1HG2 THR 8 0.460 17.687 -3.738 40 HG23 THR 8 2HG2 THR 8 -0.565 18.629 -2.652 41 H THR 9 H THR 9 -1.504 13.953 -1.545 42 HA THR 9 HA THR 9 -1.510 13.130 1.259 43 HB THR 9 HB THR 9 -2.274 10.934 -0.071 44 HG1 THR 9 1HG THR 9 -3.523 11.681 -1.901 45 HG21 THR 9 3HG2 THR 9 -3.866 13.488 0.324 46 HG22 THR 9 1HG2 THR 9 -3.532 12.197 1.513 47 HG23 THR 9 2HG2 THR 9 -4.583 11.872 0.131 48 H THR 10 H THR 10 -0.518 11.029 1.837 49 HA THR 10 HA THR 10 1.947 10.562 0.342 50 HB THR 10 HB THR 10 1.863 10.166 3.341 51 HG1 THR 10 1HG THR 10 2.072 12.159 3.867 52 HG21 THR 10 3HG2 THR 10 3.891 9.943 1.347 53 HG22 THR 10 1HG2 THR 10 4.116 9.865 3.105 54 HG23 THR 10 2HG2 THR 10 4.320 11.375 2.239 55 H ILE 11 H ILE 11 2.541 8.285 0.082 56 HA ILE 11 HA ILE 11 0.626 6.338 1.224 57 HB ILE 11 HB ILE 11 1.302 6.716 -1.694 58 HG13 ILE 11 2HG1 ILE 11 -0.695 8.028 -0.511 59 HG21 ILE 11 1HG2 ILE 11 1.408 4.363 -1.292 60 HG22 ILE 11 2HG2 ILE 11 -0.045 4.384 -0.292 61 HG23 ILE 11 3HG2 ILE 11 -0.146 4.670 -2.054 62 HD11 ILE 11 3HD1 ILE 11 -2.225 7.638 -2.450 63 HD12 ILE 11 1HD1 ILE 11 -0.611 8.231 -2.831 64 HD13 ILE 11 2HD1 ILE 11 -1.004 6.515 -3.098 65 H ARG 12 H ARG 12 1.791 4.787 2.203 66 HA ARG 12 HA ARG 12 4.548 4.239 1.223 67 HB3 ARG 12 2HB ARG 12 3.628 4.430 4.097 68 HG3 ARG 12 2HG ARG 12 6.579 4.419 3.520 69 HD3 ARG 12 2HD ARG 12 6.148 2.405 5.199 70 HE ARG 12 HE ARG 12 7.291 3.921 6.429 71 HH11 ARG 12 1HH1 ARG 12 4.450 5.788 5.217 72 HH12 ARG 12 2HH1 ARG 12 4.791 7.125 6.244 73 HH21 ARG 12 1HH2 ARG 12 7.677 5.854 7.730 74 HH22 ARG 12 2HH2 ARG 12 6.647 7.218 7.508 75 H LEU 13 H LEU 13 5.115 2.250 1.019 76 HA LEU 13 HA LEU 13 3.136 0.143 1.790 77 HB3 LEU 13 2HB LEU 13 4.360 -1.125 -0.121 78 HG LEU 13 HG LEU 13 3.605 0.678 -2.013 79 HD11 LEU 13 1HD1 LEU 13 1.881 -1.247 -0.480 80 HD12 LEU 13 2HD1 LEU 13 2.795 -1.515 -1.961 81 HD13 LEU 13 3HD1 LEU 13 1.367 -0.482 -2.007 82 HD21 LEU 13 3HD2 LEU 13 2.790 2.467 -0.570 83 HD22 LEU 13 1HD2 LEU 13 1.715 1.333 0.281 84 HD23 LEU 13 2HD2 LEU 13 1.445 1.720 -1.417 85 H ILE 14 H ILE 14 3.713 -1.563 3.110 86 HA ILE 14 HA ILE 14 6.563 -1.916 3.754 87 HB ILE 14 HB ILE 14 4.256 -2.235 5.707 88 HG13 ILE 14 2HG1 ILE 14 6.035 0.219 5.390 89 HG21 ILE 14 1HG2 ILE 14 7.226 -1.839 6.213 90 HG22 ILE 14 2HG2 ILE 14 5.977 -2.410 7.346 91 HG23 ILE 14 3HG2 ILE 14 6.524 -3.427 5.996 92 HD11 ILE 14 3HD1 ILE 14 3.942 0.827 4.388 93 HD12 ILE 14 1HD1 ILE 14 3.012 -0.122 5.559 94 HD13 ILE 14 2HD1 ILE 14 3.800 1.355 6.063 95 H ASN 15 H ASN 15 7.168 -3.926 3.190 96 HA ASN 15 HA ASN 15 5.121 -5.993 2.592 97 HB3 ASN 15 2HB ASN 15 8.087 -5.970 1.848 98 HD21 ASN 15 1HD2 ASN 15 8.787 -7.492 0.498 99 HD22 ASN 15 2HD2 ASN 15 7.952 -8.998 0.395 100 H GLN 16 H GLN 16 4.723 -6.292 5.065 101 HA GLN 16 HA GLN 16 6.973 -7.099 6.727 102 HB3 GLN 16 2HB GLN 16 5.423 -7.087 8.548 103 HG3 GLN 16 2HG GLN 16 4.747 -4.738 6.721 104 HE21 GLN 16 1HE2 GLN 16 5.788 -3.817 9.813 105 HE22 GLN 16 2HE2 GLN 16 4.162 -3.493 10.420 106 H THR 17 H THR 17 7.042 -8.939 4.849 107 HA THR 17 HA THR 17 5.642 -11.375 5.846 108 HB THR 17 HB THR 17 5.532 -11.974 3.436 109 HG1 THR 17 1HG THR 17 5.967 -9.632 2.302 110 HG21 THR 17 3HG2 THR 17 3.605 -10.820 4.460 111 HG22 THR 17 1HG2 THR 17 3.802 -10.372 2.772 112 HG23 THR 17 2HG2 THR 17 4.300 -9.241 4.020 113 H TYR 18 H TYR 18 6.630 -13.387 5.024 114 HA TYR 18 HA TYR 18 9.442 -13.500 5.583 115 HB3 TYR 18 2HB TYR 18 7.743 -15.251 6.168 116 HD1 TYR 18 1HD TYR 18 6.176 -14.826 3.642 117 HD2 TYR 18 2HD TYR 18 9.129 -17.815 4.608 118 HE1 TYR 18 1HE TYR 18 4.915 -16.491 2.338 119 HE2 TYR 18 2HE TYR 18 7.932 -19.459 3.224 120 HH TYR 18 HH TYR 18 4.868 -18.649 1.474 121 H PHE 19 H PHE 19 7.862 -12.783 2.606 122 HA PHE 19 HA PHE 19 9.990 -14.098 1.052 123 HB3 PHE 19 2HB PHE 19 7.918 -15.007 0.473 124 HD1 PHE 19 2HD PHE 19 7.473 -11.381 -0.442 125 HD2 PHE 19 1HD PHE 19 5.554 -15.002 0.901 126 HE1 PHE 19 2HE PHE 19 5.375 -10.159 -0.087 127 HE2 PHE 19 1HE PHE 19 3.523 -13.774 1.328 128 HZ PHE 19 HZ PHE 19 3.392 -11.329 0.816 129 H ASN 20 H ASN 20 10.369 -12.916 -1.114 130 HA ASN 20 HA ASN 20 10.717 -9.954 -0.728 131 HB3 ASN 20 2HB ASN 20 12.006 -11.871 -2.715 132 HD21 ASN 20 1HD2 ASN 20 12.874 -10.955 -4.585 133 HD22 ASN 20 2HD2 ASN 20 12.969 -9.205 -4.856 134 H VAL 21 H VAL 21 9.826 -8.512 -2.463 135 HA VAL 21 HA VAL 21 8.145 -9.643 -4.490 136 HB VAL 21 HB VAL 21 7.792 -7.362 -2.627 137 HG11 VAL 21 1HG1 VAL 21 6.826 -6.918 -4.474 138 HG12 VAL 21 2HG1 VAL 21 5.943 -6.886 -2.916 139 HG13 VAL 21 3HG1 VAL 21 5.602 -8.237 -4.168 140 HG21 VAL 21 3HG2 VAL 21 6.060 -8.561 -1.451 141 HG22 VAL 21 1HG2 VAL 21 6.308 -9.961 -2.532 142 HG23 VAL 21 2HG2 VAL 21 7.515 -9.490 -1.328 143 H LYS 22 H LYS 22 8.190 -8.401 -6.048 144 HA LYS 22 HA LYS 22 10.280 -6.279 -6.671 145 HB3 LYS 22 2HB LYS 22 11.576 -8.290 -6.786 146 HG3 LYS 22 2HG LYS 22 10.980 -9.793 -8.905 147 HD3 LYS 22 2HD LYS 22 10.398 -10.124 -6.067 148 HE3 LYS 22 2HE LYS 22 8.097 -10.553 -6.586 149 HZ1 LYS 22 3HZ LYS 22 7.952 -11.085 -8.842 150 HZ2 LYS 22 1HZ LYS 22 7.694 -12.538 -8.109 151 HZ3 LYS 22 2HZ LYS 22 9.130 -12.223 -8.771 152 H ASN 23 H ASN 23 7.541 -6.000 -6.868 153 HA ASN 23 HA ASN 23 7.030 -5.055 -9.493 154 HB3 ASN 23 2HB ASN 23 7.158 -7.265 -10.415 155 HD21 ASN 23 1HD2 ASN 23 5.528 -7.562 -7.294 156 HD22 ASN 23 2HD2 ASN 23 6.031 -9.221 -6.992 157 H ILE 24 H ILE 24 6.311 -3.705 -7.394 158 HA ILE 24 HA ILE 24 3.614 -4.583 -6.420 159 HB ILE 24 HB ILE 24 5.406 -2.291 -5.525 160 HG13 ILE 24 2HG1 ILE 24 5.443 -5.196 -4.797 161 HG21 ILE 24 1HG2 ILE 24 3.073 -3.655 -4.132 162 HG22 ILE 24 2HG2 ILE 24 4.074 -2.306 -3.526 163 HG23 ILE 24 3HG2 ILE 24 3.025 -2.055 -4.915 164 HD11 ILE 24 3HD1 ILE 24 7.614 -3.099 -4.358 165 HD12 ILE 24 1HD1 ILE 24 7.801 -4.848 -4.386 166 HD13 ILE 24 2HD1 ILE 24 7.490 -4.004 -5.888 167 H LYS 25 H LYS 25 1.865 -3.638 -7.270 168 HA LYS 25 HA LYS 25 2.056 -0.892 -8.440 169 HB3 LYS 25 2HB LYS 25 -0.606 -1.951 -8.683 170 HG3 LYS 25 2HG LYS 25 1.395 -1.804 -10.921 171 HD3 LYS 25 2HD LYS 25 -0.843 -2.619 -11.546 172 HE3 LYS 25 2HE LYS 25 -1.641 0.170 -10.582 173 HZ1 LYS 25 3HZ LYS 25 -2.971 -1.491 -12.631 174 HZ2 LYS 25 1HZ LYS 25 -2.600 0.114 -12.694 175 HZ3 LYS 25 2HZ LYS 25 -3.793 -0.391 -11.719 176 H VAL 26 H VAL 26 0.708 0.740 -7.539 177 HA VAL 26 HA VAL 26 -1.294 -0.162 -5.660 178 HB VAL 26 HB VAL 26 0.769 0.539 -4.275 179 HG11 VAL 26 1HG1 VAL 26 1.525 2.537 -5.420 180 HG12 VAL 26 2HG1 VAL 26 -0.055 3.323 -5.206 181 HG13 VAL 26 3HG1 VAL 26 0.916 2.984 -3.804 182 HG21 VAL 26 3HG2 VAL 26 -0.542 1.662 -2.583 183 HG22 VAL 26 1HG2 VAL 26 -1.813 2.050 -3.762 184 HG23 VAL 26 2HG2 VAL 26 -1.487 0.357 -3.332 185 H THR 27 H THR 27 -3.139 1.097 -5.880 186 HA THR 27 HA THR 27 -3.040 3.420 -7.722 187 HB THR 27 HB THR 27 -5.183 1.292 -7.381 188 HG1 THR 27 1HG THR 27 -4.369 0.857 -9.656 189 HG21 THR 27 3HG2 THR 27 -6.007 2.278 -9.544 190 HG22 THR 27 1HG2 THR 27 -4.784 3.557 -9.355 191 HG23 THR 27 2HG2 THR 27 -6.094 3.359 -8.167 192 H TRP 28 H TRP 28 -4.360 5.184 -7.028 193 HA TRP 28 HA TRP 28 -5.854 4.934 -4.445 194 HB3 TRP 28 2HB TRP 28 -3.552 5.511 -3.907 195 HD1 TRP 28 HD TRP 28 -4.290 9.106 -4.651 196 HE1 TRP 28 1HE TRP 28 -2.266 10.156 -5.787 197 HE3 TRP 28 3HE TRP 28 -1.776 4.829 -5.846 198 HZ2 TRP 28 2HZ TRP 28 0.194 9.229 -7.071 199 HZ3 TRP 28 3HZ TRP 28 0.369 4.924 -7.048 200 HH2 TRP 28 HH TRP 28 1.351 7.137 -7.696 201 H ASN 29 H ASN 29 -6.484 5.306 -7.334 202 HA ASN 29 HA ASN 29 -8.667 6.980 -7.160 203 HB3 ASN 29 2HB ASN 29 -7.202 8.400 -9.275 204 HD21 ASN 29 1HD2 ASN 29 -7.824 9.064 -5.796 205 HD22 ASN 29 2HD2 ASN 29 -9.049 10.306 -6.093 206 H ASP 30 H ASP 30 -9.581 7.350 -9.408 207 HA ASP 30 HA ASP 30 -9.614 4.686 -10.587 208 HB3 ASP 30 2HB ASP 30 -11.382 5.853 -12.161 209 H GLY 31 H GLY 31 -7.277 6.721 -11.147 210 HA2 GLY 31 1HA GLY 31 -6.386 5.207 -13.336 211 HA3 GLY 31 2HA GLY 31 -6.927 6.756 -13.976 212 H LYS 32 H LYS 32 -5.368 6.264 -10.718 213 HA LYS 32 HA LYS 32 -2.913 7.483 -11.743 214 HB3 LYS 32 2HB LYS 32 -4.724 8.489 -9.532 215 HG3 LYS 32 2HG LYS 32 -2.573 8.297 -8.556 216 HD3 LYS 32 2HD LYS 32 -1.004 8.401 -10.490 217 HE3 LYS 32 2HE LYS 32 -0.384 11.000 -10.918 218 HZ1 LYS 32 3HZ LYS 32 -0.719 9.695 -12.796 219 HZ2 LYS 32 1HZ LYS 32 -1.665 10.995 -12.914 220 HZ3 LYS 32 2HZ LYS 32 -2.375 9.577 -12.573 221 H GLU 33 H GLU 33 -1.672 5.783 -11.550 222 HA GLU 33 HA GLU 33 -1.521 4.382 -8.955 223 HB3 GLU 33 2HB GLU 33 -1.319 2.322 -9.933 224 HG3 GLU 33 2HG GLU 33 -3.503 3.555 -11.086 225 H GLN 34 H GLN 34 0.612 3.188 -9.017 226 HA GLN 34 HA GLN 34 2.731 4.088 -10.682 227 HB3 GLN 34 2HB GLN 34 2.754 6.005 -9.078 228 HG3 GLN 34 2HG GLN 34 2.501 4.236 -6.971 229 HE21 GLN 34 1HE2 GLN 34 3.865 2.754 -5.975 230 HE22 GLN 34 2HE2 GLN 34 5.622 2.840 -6.083 231 H THR 35 H THR 35 4.863 2.866 -10.055 232 HA THR 35 HA THR 35 4.182 0.496 -8.456 233 HB THR 35 HB THR 35 5.282 -1.024 -9.929 234 HG1 THR 35 1HG THR 35 6.492 -0.541 -11.400 235 HG21 THR 35 3HG2 THR 35 2.967 -0.568 -10.296 236 HG22 THR 35 1HG2 THR 35 3.788 -1.167 -11.737 237 HG23 THR 35 2HG2 THR 35 3.334 0.575 -11.584 238 H VAL 36 H VAL 36 6.057 -0.716 -7.718 239 HA VAL 36 HA VAL 36 8.349 1.085 -7.070 240 HB VAL 36 HB VAL 36 7.105 -1.122 -5.404 241 HG11 VAL 36 1HG1 VAL 36 9.528 -1.077 -5.051 242 HG12 VAL 36 2HG1 VAL 36 9.442 0.654 -4.678 243 HG13 VAL 36 3HG1 VAL 36 8.651 -0.563 -3.636 244 HG21 VAL 36 3HG2 VAL 36 7.125 1.879 -4.950 245 HG22 VAL 36 1HG2 VAL 36 5.704 0.849 -5.269 246 HG23 VAL 36 2HG2 VAL 36 6.589 0.675 -3.758 247 H ASN 37 H ASN 37 10.339 0.172 -7.229 248 HA ASN 37 HA ASN 37 10.865 -1.877 -9.122 249 HB3 ASN 37 2HB ASN 37 12.470 -0.236 -7.201 250 HD21 ASN 37 1HD2 ASN 37 14.632 -0.557 -6.710 251 HD22 ASN 37 2HD2 ASN 37 15.566 -1.918 -7.207 252 H THR 38 H THR 38 11.801 -2.092 -5.606 253 HA THR 38 HA THR 38 10.776 -4.812 -5.492 254 HB THR 38 HB THR 38 13.737 -4.130 -5.358 255 HG1 THR 38 1HG THR 38 13.240 -4.456 -7.449 256 HG21 THR 38 3HG2 THR 38 14.232 -6.472 -4.999 257 HG22 THR 38 1HG2 THR 38 12.524 -6.899 -5.021 258 HG23 THR 38 2HG2 THR 38 13.178 -5.927 -3.686 259 H LEU 39 H LEU 39 10.552 -5.612 -3.451 260 HA LEU 39 HA LEU 39 11.106 -3.927 -1.135 261 HB3 LEU 39 2HB LEU 39 8.465 -5.194 -0.919 262 HG LEU 39 HG LEU 39 8.833 -3.503 0.627 263 HD11 LEU 39 1HD1 LEU 39 10.620 -2.077 -0.355 264 HD12 LEU 39 2HD1 LEU 39 9.227 -1.067 0.004 265 HD13 LEU 39 3HD1 LEU 39 9.520 -1.602 -1.661 266 HD21 LEU 39 3HD2 LEU 39 7.020 -1.963 0.273 267 HD22 LEU 39 1HD2 LEU 39 6.609 -3.580 -0.328 268 HD23 LEU 39 2HD2 LEU 39 7.046 -2.305 -1.475 269 H GLY 40 H GLY 40 12.347 -5.180 -0.147 270 HA2 GLY 40 1HA GLY 40 12.608 -8.053 -0.367 271 HA3 GLY 40 2HA GLY 40 13.363 -6.982 0.835 272 H SER 41 H SER 41 12.576 -9.353 1.702 273 HA SER 41 HA SER 41 10.031 -9.467 3.003 274 HB3 SER 41 2HB SER 41 11.392 -11.422 2.979 275 HG SER 41 HG SER 41 13.439 -9.808 4.106 276 H HIS 42 H HIS 42 9.275 -8.012 4.381 277 HA HIS 42 HA HIS 42 9.024 -6.492 5.951 278 HB3 HIS 42 2HB HIS 42 11.219 -6.071 7.483 279 HD1 HIS 42 1HD HIS 42 10.351 -6.570 9.805 280 HD2 HIS 42 2HD HIS 42 8.987 -9.222 6.839 281 HE1 HIS 42 1HE HIS 42 8.490 -7.955 10.883 282 H ASP 43 H ASP 43 10.106 -5.697 3.139 283 HA ASP 43 HA ASP 43 11.810 -3.409 3.935 284 HB3 ASP 43 2HB ASP 43 10.802 -4.054 1.165 285 H SER 44 H SER 44 11.170 -1.432 2.597 286 HA SER 44 HA SER 44 8.360 -0.861 2.428 287 HB3 SER 44 2HB SER 44 8.388 -0.888 4.820 288 HG SER 44 HG SER 44 10.769 -0.230 4.821 289 H ILE 45 H ILE 45 7.762 1.440 1.951 290 HA ILE 45 HA ILE 45 9.874 3.280 1.266 291 HB ILE 45 HB ILE 45 10.226 1.656 -0.487 292 HG13 ILE 45 2HG1 ILE 45 10.246 4.231 -0.893 293 HG21 ILE 45 1HG2 ILE 45 8.621 1.025 -2.163 294 HG22 ILE 45 2HG2 ILE 45 7.886 0.662 -0.598 295 HG23 ILE 45 3HG2 ILE 45 7.380 2.104 -1.496 296 HD11 ILE 45 3HD1 ILE 45 11.138 3.896 -3.060 297 HD12 ILE 45 1HD1 ILE 45 11.479 2.397 -2.209 298 HD13 ILE 45 2HD1 ILE 45 10.128 2.468 -3.360 299 H ASP 46 H ASP 46 8.943 5.277 0.684 300 HA ASP 46 HA ASP 46 5.973 5.474 0.685 301 HB3 ASP 46 2HB ASP 46 7.874 7.371 2.063 302 H PHE 47 H PHE 47 5.179 6.887 -0.727 303 HA PHE 47 HA PHE 47 7.073 8.556 -2.300 304 HB3 PHE 47 2HB PHE 47 7.041 6.802 -3.827 305 HD1 PHE 47 1HD PHE 47 6.695 4.675 -2.604 306 HD2 PHE 47 2HD PHE 47 3.440 6.912 -4.338 307 HE1 PHE 47 1HE PHE 47 5.173 2.748 -2.250 308 HE2 PHE 47 2HE PHE 47 1.914 5.008 -3.961 309 HZ PHE 47 HZ PHE 47 2.782 2.917 -2.874 310 H SER 48 H SER 48 6.306 10.479 -3.013 311 HA SER 48 HA SER 48 3.984 11.665 -1.861 312 HB3 SER 48 2HB SER 48 4.642 13.316 -3.856 313 HG SER 48 HG SER 48 6.540 13.972 -2.780 314 H SER 49 H SER 49 1.971 12.113 -2.769 315 HA SER 49 HA SER 49 0.998 10.352 -4.830 316 HB3 SER 49 2HB SER 49 -0.201 11.353 -2.729 317 HG SER 49 HG SER 49 0.167 13.627 -3.783 318 H ASP 50 H ASP 50 -0.596 11.718 -6.535 319 HA ASP 50 HA ASP 50 0.548 14.297 -7.201 320 HB3 ASP 50 2HB ASP 50 0.096 12.356 -9.469 321 H ALA 51 H ALA 51 -1.644 13.724 -5.751 322 HA ALA 51 HA ALA 51 -3.980 13.943 -7.607 323 HB1 ALA 51 1HB ALA 51 -3.653 11.966 -5.304 324 HB2 ALA 51 2HB ALA 51 -5.050 12.128 -6.398 325 HB3 ALA 51 3HB ALA 51 -3.507 11.598 -7.059 326 H GLY 52 H GLY 52 -2.555 15.084 -4.631 327 HA2 GLY 52 1HA GLY 52 -3.381 16.808 -3.285 328 HA3 GLY 52 2HA GLY 52 -4.902 16.764 -4.151 329 H SER 53 H SER 53 -6.053 14.429 -3.856 330 HA SER 53 HA SER 53 -5.860 13.544 -1.053 331 HB3 SER 53 2HB SER 53 -7.376 15.246 -0.704 332 HG SER 53 HG SER 53 -8.866 14.564 -3.030 333 H VAL 54 H VAL 54 -7.407 11.654 -0.681 334 HA VAL 54 HA VAL 54 -8.267 10.067 -2.857 335 HB VAL 54 HB VAL 54 -6.057 9.433 -3.053 336 HG11 VAL 54 1HG1 VAL 54 -4.795 10.326 -1.359 337 HG12 VAL 54 2HG1 VAL 54 -5.707 9.487 -0.055 338 HG13 VAL 54 3HG1 VAL 54 -4.585 8.613 -1.132 339 HG21 VAL 54 3HG2 VAL 54 -5.942 7.078 -2.126 340 HG22 VAL 54 1HG2 VAL 54 -7.200 7.436 -1.036 341 HG23 VAL 54 2HG2 VAL 54 -7.533 7.449 -2.797 342 H TYR 55 H TYR 55 -9.430 8.205 -1.951 343 HA TYR 55 HA TYR 55 -9.934 8.042 0.936 344 HB3 TYR 55 2HB TYR 55 -11.665 9.397 0.600 345 HD1 TYR 55 2HD TYR 55 -12.256 7.131 -2.381 346 HD2 TYR 55 1HD TYR 55 -11.917 11.175 -0.924 347 HE1 TYR 55 2HE TYR 55 -12.677 7.976 -4.683 348 HE2 TYR 55 1HE TYR 55 -12.431 12.039 -3.207 349 HH TYR 55 HH TYR 55 -13.354 9.897 -5.894 350 H LYS 56 H LYS 56 -8.811 6.395 -1.637 351 HA LYS 56 HA LYS 56 -9.912 3.842 -0.793 352 HB3 LYS 56 2HB LYS 56 -11.547 4.733 -2.446 353 HG3 LYS 56 2HG LYS 56 -9.351 4.362 -4.541 354 HD3 LYS 56 2HD LYS 56 -11.019 5.478 -5.997 355 HE3 LYS 56 2HE LYS 56 -12.290 3.139 -4.506 356 HZ1 LYS 56 3HZ LYS 56 -13.039 2.543 -6.655 357 HZ2 LYS 56 1HZ LYS 56 -12.173 3.717 -7.374 358 HZ3 LYS 56 2HZ LYS 56 -13.471 4.132 -6.412 359 H MET 57 H MET 57 -8.705 1.992 -1.954 360 HA MET 57 HA MET 57 -6.323 2.844 -3.374 361 HB3 MET 57 2HB MET 57 -6.128 1.670 -0.552 362 HG3 MET 57 2HG MET 57 -3.965 2.175 -2.627 363 HE1 MET 57 3HE MET 57 -3.718 4.346 -0.778 364 HE2 MET 57 1HE MET 57 -2.158 4.182 0.037 365 HE3 MET 57 2HE MET 57 -2.290 3.868 -1.712 366 H ASP 58 H ASP 58 -5.720 1.254 -4.745 367 HA ASP 58 HA ASP 58 -6.750 -1.512 -4.282 368 HB3 ASP 58 2HB ASP 58 -6.894 -1.642 -6.803 369 H VAL 59 H VAL 59 -5.052 -2.548 -3.589 370 HA VAL 59 HA VAL 59 -2.342 -1.933 -4.578 371 HB VAL 59 HB VAL 59 -3.096 -3.802 -2.302 372 HG11 VAL 59 1HG1 VAL 59 -0.669 -2.065 -2.922 373 HG12 VAL 59 2HG1 VAL 59 -0.895 -3.079 -1.470 374 HG13 VAL 59 3HG1 VAL 59 -0.794 -3.837 -3.062 375 HG21 VAL 59 3HG2 VAL 59 -2.744 -0.804 -1.946 376 HG22 VAL 59 1HG2 VAL 59 -4.248 -1.717 -1.679 377 HG23 VAL 59 2HG2 VAL 59 -2.842 -2.010 -0.657 378 H THR 60 H THR 60 -0.967 -3.666 -5.473 379 HA THR 60 HA THR 60 -1.845 -6.387 -5.403 380 HB THR 60 HB THR 60 -3.364 -5.789 -7.100 381 HG1 THR 60 1HG THR 60 -2.795 -6.956 -8.725 382 HG21 THR 60 3HG2 THR 60 -1.186 -4.216 -8.416 383 HG22 THR 60 1HG2 THR 60 -2.681 -3.594 -7.667 384 HG23 THR 60 2HG2 THR 60 -2.781 -4.546 -9.144 385 H GLY 61 H GLY 61 -0.041 -7.696 -5.720 386 HA2 GLY 61 1HA GLY 61 2.253 -6.890 -7.207 387 HA3 GLY 61 2HA GLY 61 2.556 -6.641 -5.472 388 H THR 62 H THR 62 4.280 -8.504 -5.986 389 HA THR 62 HA THR 62 2.921 -11.097 -5.963 390 HB THR 62 HB THR 62 4.861 -10.537 -8.214 391 HG1 THR 62 1HG THR 62 3.333 -9.735 -9.370 392 HG21 THR 62 3HG2 THR 62 4.522 -12.902 -7.549 393 HG22 THR 62 1HG2 THR 62 4.069 -12.550 -9.214 394 HG23 THR 62 2HG2 THR 62 2.810 -12.755 -7.976 395 H THR 63 H THR 63 4.087 -12.691 -4.958 396 HA THR 63 HA THR 63 6.391 -11.903 -3.431 397 HB THR 63 HB THR 63 6.091 -13.935 -2.306 398 HG1 THR 63 1HG THR 63 4.891 -15.582 -3.040 399 HG21 THR 63 3HG2 THR 63 4.213 -12.255 -2.034 400 HG22 THR 63 1HG2 THR 63 3.785 -13.933 -1.651 401 HG23 THR 63 2HG2 THR 63 3.249 -13.212 -3.161 402 H GLN 64 H GLN 64 8.196 -13.449 -3.196 403 HA GLN 64 HA GLN 64 9.823 -13.706 -5.412 404 HB3 GLN 64 2HB GLN 64 9.811 -15.202 -2.746 405 HG3 GLN 64 2HG GLN 64 12.111 -14.685 -4.689 406 HE21 GLN 64 1HE2 GLN 64 13.442 -13.487 -3.248 407 HE22 GLN 64 2HE2 GLN 64 13.997 -14.125 -1.732 408 H SER 65 H SER 65 7.601 -16.025 -3.835 409 HA SER 65 HA SER 65 8.049 -18.344 -5.454 410 HB3 SER 65 2HB SER 65 5.483 -18.587 -4.576 411 HG SER 65 HG SER 65 6.736 -19.993 -3.805 412 H GLY 66 H GLY 66 6.427 -15.328 -6.109 413 HA2 GLY 66 1HA GLY 66 5.505 -14.734 -8.172 414 HA3 GLY 66 2HA GLY 66 5.411 -16.433 -8.632 415 H GLU 67 H GLU 67 4.051 -15.325 -5.438 416 HA GLU 67 HA GLU 67 1.375 -16.111 -6.433 417 HB3 GLU 67 2HB GLU 67 0.918 -15.710 -3.912 418 HG3 GLU 67 2HG GLU 67 2.290 -17.989 -5.137 419 H LYS 68 H LYS 68 -0.299 -14.461 -6.407 420 HA LYS 68 HA LYS 68 0.794 -11.709 -6.243 421 HB3 LYS 68 2HB LYS 68 -1.454 -12.970 -7.802 422 HG3 LYS 68 2HG LYS 68 -0.942 -10.071 -7.152 423 HD3 LYS 68 2HD LYS 68 -2.616 -9.911 -9.257 424 HE3 LYS 68 2HE LYS 68 0.427 -10.029 -9.481 425 HZ1 LYS 68 3HZ LYS 68 -0.728 -9.711 -11.595 426 HZ2 LYS 68 1HZ LYS 68 0.128 -8.377 -11.154 427 HZ3 LYS 68 2HZ LYS 68 -1.494 -8.376 -11.019 428 H PHE 69 H PHE 69 0.192 -10.547 -4.689 429 HA PHE 69 HA PHE 69 -1.979 -11.274 -2.822 430 HB3 PHE 69 2HB PHE 69 0.184 -11.081 -1.818 431 HD1 PHE 69 1HD PHE 69 -0.390 -7.498 -2.739 432 HD2 PHE 69 2HD PHE 69 2.490 -10.732 -2.555 433 HE1 PHE 69 1HE PHE 69 1.450 -5.892 -3.106 434 HE2 PHE 69 2HE PHE 69 4.372 -8.950 -2.648 435 HZ PHE 69 HZ PHE 69 3.797 -6.616 -2.912 436 H THR 70 H THR 70 -3.688 -9.752 -2.633 437 HA THR 70 HA THR 70 -3.354 -7.146 -3.987 438 HB THR 70 HB THR 70 -5.585 -7.168 -4.924 439 HG1 THR 70 1HG THR 70 -6.074 -9.263 -3.581 440 HG21 THR 70 3HG2 THR 70 -4.012 -9.446 -6.160 441 HG22 THR 70 1HG2 THR 70 -3.570 -7.738 -6.288 442 HG23 THR 70 2HG2 THR 70 -5.118 -8.282 -6.949 443 H GLY 71 H GLY 71 -4.536 -5.526 -3.225 444 HA2 GLY 71 1HA GLY 71 -5.581 -5.886 -0.449 445 HA3 GLY 71 2HA GLY 71 -5.154 -4.361 -1.239 446 H HIS 72 H HIS 72 -6.563 -3.448 -2.669 447 HA HIS 72 HA HIS 72 -8.450 -2.620 -3.411 448 HB3 HIS 72 2HB HIS 72 -10.395 -3.867 -3.892 449 HD1 HIS 72 1HD HIS 72 -8.951 -3.558 -6.183 450 HD2 HIS 72 2HD HIS 72 -8.215 -6.979 -3.827 451 HE1 HIS 72 1HE HIS 72 -7.772 -5.298 -7.710 452 H PHE 73 H PHE 73 -8.942 -0.975 -1.962 453 HA PHE 73 HA PHE 73 -10.517 -1.609 0.478 454 HB3 PHE 73 2HB PHE 73 -9.106 -0.002 1.700 455 HD1 PHE 73 2HD PHE 73 -9.077 -2.233 2.857 456 HD2 PHE 73 1HD PHE 73 -6.292 -1.205 -0.275 457 HE1 PHE 73 2HE PHE 73 -7.485 -3.998 3.666 458 HE2 PHE 73 1HE PHE 73 -4.749 -3.033 0.538 459 HZ PHE 73 HZ PHE 73 -5.362 -4.331 2.515 460 H LYS 74 H LYS 74 -11.732 0.190 1.242 461 HA LYS 74 HA LYS 74 -11.964 2.635 -0.403 462 HB3 LYS 74 2HB LYS 74 -14.424 2.404 -0.452 463 HG3 LYS 74 2HG LYS 74 -13.253 -0.087 -1.743 464 HD3 LYS 74 2HD LYS 74 -14.886 0.405 -3.488 465 HE3 LYS 74 2HE LYS 74 -16.225 0.538 -0.750 466 HZ1 LYS 74 3HZ LYS 74 -17.252 -0.638 -3.225 467 HZ2 LYS 74 1HZ LYS 74 -17.587 0.916 -2.826 468 HZ3 LYS 74 2HZ LYS 74 -18.082 -0.330 -1.829 469 H GLY 75 H GLY 75 -13.703 4.102 0.818 470 HA2 GLY 75 1HA GLY 75 -14.427 5.146 2.695 471 HA3 GLY 75 2HA GLY 75 -14.376 3.575 3.520 472 H LEU 76 H LEU 76 -11.618 5.305 2.046 473 HA LEU 76 HA LEU 76 -10.178 5.087 4.623 474 HB3 LEU 76 2HB LEU 76 -8.264 5.918 3.335 475 HG LEU 76 HG LEU 76 -9.673 3.752 1.693 476 HD11 LEU 76 1HD1 LEU 76 -7.710 4.826 0.616 477 HD12 LEU 76 2HD1 LEU 76 -7.429 3.118 0.996 478 HD13 LEU 76 3HD1 LEU 76 -6.719 4.391 2.019 479 HD21 LEU 76 3HD2 LEU 76 -9.560 2.995 4.029 480 HD22 LEU 76 1HD2 LEU 76 -7.834 3.413 4.103 481 HD23 LEU 76 2HD2 LEU 76 -8.411 2.100 3.042 482 H VAL 77 H VAL 77 -9.066 6.935 5.444 483 HA VAL 77 HA VAL 77 -10.070 9.628 4.854 484 HB VAL 77 HB VAL 77 -10.472 9.961 7.339 485 HG11 VAL 77 1HG1 VAL 77 -12.763 9.229 7.302 486 HG12 VAL 77 2HG1 VAL 77 -12.309 9.826 5.701 487 HG13 VAL 77 3HG1 VAL 77 -12.436 8.074 5.991 488 HG21 VAL 77 3HG2 VAL 77 -10.807 6.922 7.463 489 HG22 VAL 77 1HG2 VAL 77 -9.406 7.811 8.094 490 HG23 VAL 77 2HG2 VAL 77 -11.004 8.120 8.775 491 H GLY 78 H GLY 78 -8.749 11.214 5.999 492 HA2 GLY 78 1HA GLY 78 -6.923 11.961 7.229 493 HA3 GLY 78 2HA GLY 78 -6.318 10.299 7.357 494 H LYS 79 H LYS 79 -4.830 12.711 6.648 495 HA LYS 79 HA LYS 79 -4.660 12.850 3.790 496 HB3 LYS 79 2HB LYS 79 -2.622 14.200 5.533 497 HG3 LYS 79 2HG LYS 79 -4.591 15.174 3.420 498 HD3 LYS 79 2HD LYS 79 -1.956 16.478 4.209 499 HE3 LYS 79 2HE LYS 79 -4.614 17.425 3.059 500 HZ1 LYS 79 3HZ LYS 79 -3.416 19.021 4.529 501 HZ2 LYS 79 1HZ LYS 79 -3.830 19.523 3.058 502 HZ3 LYS 79 2HZ LYS 79 -2.229 19.110 3.387 503 H ASP 80 H ASP 80 -3.409 10.449 5.563 504 HA ASP 80 HA ASP 80 -1.518 9.859 3.476 505 HB3 ASP 80 2HB ASP 80 0.139 10.794 4.787 506 H THR 81 H THR 81 -0.826 7.689 3.488 507 HA THR 81 HA THR 81 -2.847 5.756 4.473 508 HB THR 81 HB THR 81 -1.919 5.859 1.613 509 HG1 THR 81 1HG THR 81 -3.897 7.692 2.541 510 HG21 THR 81 3HG2 THR 81 -4.573 5.324 3.001 511 HG22 THR 81 1HG2 THR 81 -3.443 4.134 2.288 512 HG23 THR 81 2HG2 THR 81 -4.334 5.262 1.230 513 H ARG 82 H ARG 82 -2.039 3.564 4.454 514 HA ARG 82 HA ARG 82 0.684 3.199 3.512 515 HB3 ARG 82 2HB ARG 82 1.464 2.087 5.540 516 HG3 ARG 82 2HG ARG 82 0.244 4.739 6.391 517 HD3 ARG 82 2HD ARG 82 2.909 3.480 7.141 518 HE ARG 82 HE ARG 82 1.915 6.089 7.484 519 HH11 ARG 82 1HH1 ARG 82 3.545 3.594 9.374 520 HH12 ARG 82 2HH1 ARG 82 3.711 4.577 10.792 521 HH21 ARG 82 1HH2 ARG 82 2.049 7.369 9.373 522 HH22 ARG 82 2HH2 ARG 82 3.065 6.903 10.686 523 H VAL 83 H VAL 83 1.202 0.650 3.947 524 HA VAL 83 HA VAL 83 -1.135 -1.100 3.482 525 HB VAL 83 HB VAL 83 1.236 -0.772 1.612 526 HG11 VAL 83 1HG1 VAL 83 -1.062 -2.738 1.372 527 HG12 VAL 83 2HG1 VAL 83 0.306 -2.561 0.260 528 HG13 VAL 83 3HG1 VAL 83 0.599 -3.164 1.874 529 HG21 VAL 83 3HG2 VAL 83 -0.450 0.912 1.078 530 HG22 VAL 83 1HG2 VAL 83 -0.510 -0.347 -0.147 531 HG23 VAL 83 2HG2 VAL 83 -1.736 -0.305 1.136 532 H PHE 84 H PHE 84 -0.829 -2.613 5.131 533 HA PHE 84 HA PHE 84 1.936 -3.415 5.964 534 HB3 PHE 84 2HB PHE 84 0.643 -4.393 7.921 535 HD1 PHE 84 1HD PHE 84 2.226 -1.568 6.968 536 HD2 PHE 84 2HD PHE 84 -0.807 -2.764 9.772 537 HE1 PHE 84 1HE PHE 84 2.734 0.418 8.353 538 HE2 PHE 84 2HE PHE 84 -0.298 -0.776 11.159 539 HZ PHE 84 HZ PHE 84 1.467 0.820 10.464 540 H ILE 85 H ILE 85 2.380 -5.000 4.348 541 HA ILE 85 HA ILE 85 0.304 -6.983 3.610 542 HB ILE 85 HB ILE 85 3.274 -7.116 2.976 543 HG13 ILE 85 2HG1 ILE 85 2.452 -4.954 2.146 544 HG21 ILE 85 1HG2 ILE 85 0.922 -8.272 1.410 545 HG22 ILE 85 2HG2 ILE 85 2.657 -8.627 1.210 546 HG23 ILE 85 3HG2 ILE 85 1.795 -9.191 2.634 547 HD11 ILE 85 3HD1 ILE 85 3.987 -6.296 0.669 548 HD12 ILE 85 1HD1 ILE 85 2.546 -6.884 -0.192 549 HD13 ILE 85 2HD1 ILE 85 2.901 -5.165 -0.167 550 H GLU 86 H GLU 86 0.143 -9.040 4.604 551 HA GLU 86 HA GLU 86 2.318 -10.049 6.181 552 HB3 GLU 86 2HB GLU 86 1.519 -8.710 7.901 553 HG3 GLU 86 2HG GLU 86 -1.356 -9.616 7.464 554 H LEU 87 H LEU 87 1.167 -12.221 7.333 555 HA LEU 87 HA LEU 87 -0.236 -13.539 5.062 556 HB3 LEU 87 2HB LEU 87 0.807 -15.550 5.420 557 HG LEU 87 HG LEU 87 3.065 -13.596 6.000 558 HD11 LEU 87 1HD1 LEU 87 3.244 -16.493 5.093 559 HD12 LEU 87 2HD1 LEU 87 3.593 -15.912 6.737 560 HD13 LEU 87 3HD1 LEU 87 4.591 -15.373 5.393 561 HD21 LEU 87 3HD2 LEU 87 2.161 -14.979 3.443 562 HD22 LEU 87 1HD2 LEU 87 3.553 -13.872 3.609 563 HD23 LEU 87 2HD2 LEU 87 1.897 -13.268 3.822 564 H ASP 88 H ASP 88 -1.908 -14.927 5.716 565 HA ASP 88 HA ASP 88 -2.506 -15.297 8.547 566 HB3 ASP 88 2HB ASP 88 -4.750 -13.993 7.021 567 H GLU 89 H GLU 89 -4.964 -16.308 8.395 568 HA GLU 89 HA GLU 89 -6.356 -17.965 7.832 569 HB3 GLU 89 2HB GLU 89 -6.834 -18.406 5.471 570 HG3 GLU 89 2HG GLU 89 -7.418 -16.179 4.696 571 H ASN 90 H ASN 90 -3.684 -18.688 5.627 572 HA ASN 90 HA ASN 90 -3.065 -21.216 7.051 573 HB3 ASN 90 2HB ASN 90 -4.633 -21.901 5.312 574 HD21 ASN 90 1HD2 ASN 90 -5.663 -20.517 3.767 575 HD22 ASN 90 2HD2 ASN 90 -4.828 -20.019 2.303 576 H ALA 91 H ALA 91 -1.939 -18.411 6.380 577 HA ALA 91 HA ALA 91 0.045 -17.418 6.197 578 HB1 ALA 91 1HB ALA 91 1.312 -19.404 7.003 579 HB2 ALA 91 2HB ALA 91 1.410 -19.965 5.307 580 HB3 ALA 91 3HB ALA 91 2.146 -18.431 5.786 581 H ASP 92 H ASP 92 -2.017 -17.537 4.469 582 HA ASP 92 HA ASP 92 -1.029 -17.479 1.661 583 HB3 ASP 92 2HB ASP 92 -3.791 -17.012 2.897 584 H VAL 93 H VAL 93 -1.407 -15.425 0.577 585 HA VAL 93 HA VAL 93 -0.433 -13.605 2.526 586 HB VAL 93 HB VAL 93 -0.462 -13.137 -0.479 587 HG11 VAL 93 1HG1 VAL 93 0.021 -11.124 0.879 588 HG12 VAL 93 2HG1 VAL 93 1.303 -12.001 1.728 589 HG13 VAL 93 3HG1 VAL 93 1.441 -11.665 -0.025 590 HG21 VAL 93 3HG2 VAL 93 1.951 -14.015 -0.345 591 HG22 VAL 93 1HG2 VAL 93 1.531 -14.655 1.252 592 HG23 VAL 93 2HG2 VAL 93 0.690 -15.244 -0.184 593 H GLN 94 H GLN 94 -1.541 -11.949 3.427 594 HA GLN 94 HA GLN 94 -4.023 -10.987 2.068 595 HB3 GLN 94 2HB GLN 94 -4.999 -10.425 4.124 596 HG3 GLN 94 2HG GLN 94 -5.181 -12.374 5.459 597 HE21 GLN 94 1HE2 GLN 94 -3.524 -14.421 3.329 598 HE22 GLN 94 2HE2 GLN 94 -4.727 -14.729 2.118 599 H VAL 95 H VAL 95 -4.489 -8.672 2.974 600 HA VAL 95 HA VAL 95 -2.080 -6.963 2.947 601 HB VAL 95 HB VAL 95 -4.461 -6.631 1.077 602 HG11 VAL 95 1HG1 VAL 95 -3.365 -4.453 1.733 603 HG12 VAL 95 2HG1 VAL 95 -1.882 -5.061 0.986 604 HG13 VAL 95 3HG1 VAL 95 -3.317 -4.826 0.001 605 HG21 VAL 95 3HG2 VAL 95 -2.646 -7.003 -0.738 606 HG22 VAL 95 1HG2 VAL 95 -1.592 -7.551 0.594 607 HG23 VAL 95 2HG2 VAL 95 -3.076 -8.429 0.197 608 H PHE 96 H PHE 96 -2.301 -6.064 4.861 609 HA PHE 96 HA PHE 96 -4.973 -5.247 5.908 610 HB3 PHE 96 2HB PHE 96 -2.280 -5.545 7.322 611 HD1 PHE 96 1HD PHE 96 -5.886 -6.375 7.981 612 HD2 PHE 96 2HD PHE 96 -2.461 -4.056 9.173 613 HE1 PHE 96 1HE PHE 96 -7.188 -5.414 9.878 614 HE2 PHE 96 2HE PHE 96 -3.773 -3.089 11.059 615 HZ PHE 96 HZ PHE 96 -6.119 -3.807 11.435 616 H ILE 97 H ILE 97 -4.788 -3.162 7.344 617 HA ILE 97 HA ILE 97 -2.738 -1.313 6.504 618 HB ILE 97 HB ILE 97 -4.681 0.427 5.990 619 HG13 ILE 97 2HG1 ILE 97 -6.556 -1.217 6.330 620 HG21 ILE 97 1HG2 ILE 97 -4.140 0.288 3.721 621 HG22 ILE 97 2HG2 ILE 97 -2.761 -0.360 4.574 622 HG23 ILE 97 3HG2 ILE 97 -3.897 -1.471 3.761 623 HD11 ILE 97 3HD1 ILE 97 -7.847 -0.571 4.390 624 HD12 ILE 97 1HD1 ILE 97 -6.780 0.794 4.772 625 HD13 ILE 97 2HD1 ILE 97 -6.378 -0.316 3.426 626 HA PRO 98 HA PRO 98 -3.736 0.287 10.525 627 HB3 PRO 98 2HB PRO 98 -1.664 1.242 10.628 628 HG3 PRO 98 2HG PRO 98 -0.562 2.020 8.699 629 HD3 PRO 98 2HD PRO 98 -1.251 -0.081 7.914 630 H GLN 99 H GLN 99 -5.813 0.828 10.924 631 HA GLN 99 HA GLN 99 -6.975 3.285 9.799 632 HB3 GLN 99 2HB GLN 99 -9.212 2.144 9.981 633 HG3 GLN 99 2HG GLN 99 -9.100 0.708 7.979 634 HE21 GLN 99 1HE2 GLN 99 -6.385 2.849 7.197 635 HE22 GLN 99 2HE2 GLN 99 -7.391 4.081 6.475 636 H GLY 100 H GLY 100 -9.096 3.621 11.558 637 HA2 GLY 100 1HA GLY 100 -9.289 3.115 14.083 638 HA3 GLY 100 2HA GLY 100 -7.712 3.927 14.133 639 H GLU 101 H GLU 101 -8.653 5.616 15.318 640 HA GLU 101 HA GLU 101 -10.732 7.217 14.079 641 HB3 GLU 101 2HB GLU 101 -9.243 8.176 16.502 642 HG3 GLU 101 2HG GLU 101 -12.151 7.605 15.993 643 H ILE 102 H ILE 102 -9.308 7.400 12.143 644 HA ILE 102 HA ILE 102 -7.348 9.644 12.284 645 HB ILE 102 HB ILE 102 -6.359 8.593 10.229 646 HG13 ILE 102 2HG1 ILE 102 -8.446 7.039 9.859 647 HG21 ILE 102 1HG2 ILE 102 -6.328 7.000 12.813 648 HG22 ILE 102 2HG2 ILE 102 -5.045 7.042 11.573 649 HG23 ILE 102 3HG2 ILE 102 -5.442 8.505 12.485 650 HD11 ILE 102 3HD1 ILE 102 -5.698 5.738 9.745 651 HD12 ILE 102 1HD1 ILE 102 -7.122 5.299 8.809 652 HD13 ILE 102 2HD1 ILE 102 -6.336 6.864 8.519 653 H ASP 103 H ASP 103 -9.870 10.498 12.288 654 HA ASP 103 HA ASP 103 -10.533 11.131 9.499 655 HB3 ASP 103 2HB ASP 103 -12.212 10.888 12.020 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.447 25.733 8.195 2 HA2 GLY 1 1HA GLY 1 2.518 27.101 8.042 3 HA3 GLY 1 2HA GLY 1 2.936 26.101 6.623 4 H ALA 2 H ALA 2 2.436 27.157 4.721 5 HA ALA 2 HA ALA 2 0.149 29.008 4.535 6 HB1 ALA 2 1HB ALA 2 0.736 29.015 2.125 7 HB2 ALA 2 2HB ALA 2 2.147 29.412 3.121 8 HB3 ALA 2 3HB ALA 2 1.980 27.785 2.418 9 H GLN 3 H GLN 3 -1.818 28.387 3.612 10 HA GLN 3 HA GLN 3 -2.557 25.643 3.933 11 HB3 GLN 3 2HB GLN 3 -4.184 27.940 2.770 12 HG3 GLN 3 2HG GLN 3 -4.845 25.230 3.859 13 HE21 GLN 3 1HE2 GLN 3 -7.582 25.206 4.089 14 HE22 GLN 3 2HE2 GLN 3 -7.927 26.058 5.577 15 H ASP 4 H ASP 4 -0.693 26.532 1.454 16 HA ASP 4 HA ASP 4 -1.806 24.707 -0.470 17 HB3 ASP 4 2HB ASP 4 -1.367 27.626 -1.220 18 H GLY 5 H GLY 5 0.067 23.490 -0.307 19 HA2 GLY 5 1HA GLY 5 2.679 24.538 -0.939 20 HA3 GLY 5 2HA GLY 5 2.417 24.437 0.807 21 H LYS 6 H LYS 6 3.989 22.782 1.045 22 HA LYS 6 HA LYS 6 3.508 20.135 -0.200 23 HB3 LYS 6 2HB LYS 6 5.540 20.947 1.923 24 HG3 LYS 6 2HG LYS 6 4.974 18.351 0.417 25 HD3 LYS 6 2HD LYS 6 7.509 19.144 1.902 26 HE3 LYS 6 2HE LYS 6 6.232 16.465 1.280 27 HZ1 LYS 6 3HZ LYS 6 8.216 15.397 1.728 28 HZ2 LYS 6 1HZ LYS 6 9.079 16.773 1.954 29 HZ3 LYS 6 2HZ LYS 6 8.461 16.390 0.448 30 H GLU 7 H GLU 7 1.324 20.375 0.441 31 HA GLU 7 HA GLU 7 0.681 19.226 3.089 32 HB3 GLU 7 2HB GLU 7 -1.560 20.494 2.748 33 HG3 GLU 7 2HG GLU 7 -0.684 22.801 3.281 34 H THR 8 H THR 8 1.471 17.990 0.654 35 HA THR 8 HA THR 8 -0.879 16.918 -0.689 36 HB THR 8 HB THR 8 0.918 15.548 -1.858 37 HG1 THR 8 1HG THR 8 3.014 16.275 -1.613 38 HG21 THR 8 3HG2 THR 8 1.204 18.591 -1.877 39 HG22 THR 8 1HG2 THR 8 0.040 17.640 -2.821 40 HG23 THR 8 2HG2 THR 8 1.775 17.504 -3.142 41 H THR 9 H THR 9 -0.721 14.337 -0.910 42 HA THR 9 HA THR 9 -0.345 13.177 1.821 43 HB THR 9 HB THR 9 -1.295 11.112 0.373 44 HG1 THR 9 1HG THR 9 -2.458 13.412 -0.800 45 HG21 THR 9 3HG2 THR 9 -3.464 11.500 1.361 46 HG22 THR 9 1HG2 THR 9 -3.117 13.231 1.550 47 HG23 THR 9 2HG2 THR 9 -2.212 12.003 2.469 48 H THR 10 H THR 10 0.943 11.372 2.065 49 HA THR 10 HA THR 10 2.701 10.586 -0.163 50 HB THR 10 HB THR 10 3.462 10.867 2.770 51 HG1 THR 10 1HG THR 10 4.369 12.706 2.217 52 HG21 THR 10 3HG2 THR 10 4.753 9.005 1.610 53 HG22 THR 10 1HG2 THR 10 5.758 10.358 2.071 54 HG23 THR 10 2HG2 THR 10 5.270 10.191 0.392 55 H ILE 11 H ILE 11 3.172 8.261 0.005 56 HA ILE 11 HA ILE 11 1.157 6.657 1.467 57 HB ILE 11 HB ILE 11 2.126 6.458 -1.415 58 HG13 ILE 11 2HG1 ILE 11 0.289 8.156 -0.907 59 HG21 ILE 11 1HG2 ILE 11 1.955 4.212 -0.498 60 HG22 ILE 11 2HG2 ILE 11 0.353 4.554 0.189 61 HG23 ILE 11 3HG2 ILE 11 0.597 4.459 -1.571 62 HD11 ILE 11 3HD1 ILE 11 0.524 7.276 -3.186 63 HD12 ILE 11 1HD1 ILE 11 -0.535 5.906 -2.781 64 HD13 ILE 11 2HD1 ILE 11 -1.173 7.549 -2.741 65 H ARG 12 H ARG 12 2.090 4.715 2.241 66 HA ARG 12 HA ARG 12 5.021 4.441 1.835 67 HB3 ARG 12 2HB ARG 12 3.869 4.606 4.641 68 HG3 ARG 12 2HG ARG 12 6.314 5.432 4.966 69 HD3 ARG 12 2HD ARG 12 6.087 2.511 4.167 70 HE ARG 12 HE ARG 12 8.325 3.004 4.771 71 HH11 ARG 12 1HH1 ARG 12 6.266 4.162 7.398 72 HH12 ARG 12 2HH1 ARG 12 7.496 3.980 8.604 73 HH21 ARG 12 1HH2 ARG 12 9.757 2.377 6.363 74 HH22 ARG 12 2HH2 ARG 12 9.623 3.025 7.961 75 H LEU 13 H LEU 13 5.504 2.470 1.408 76 HA LEU 13 HA LEU 13 3.537 0.310 1.999 77 HB3 LEU 13 2HB LEU 13 5.282 -0.820 0.222 78 HG LEU 13 HG LEU 13 3.970 0.119 -1.723 79 HD11 LEU 13 1HD1 LEU 13 3.300 -1.965 -0.959 80 HD12 LEU 13 2HD1 LEU 13 1.800 -1.016 -0.905 81 HD13 LEU 13 3HD1 LEU 13 2.721 -1.354 0.588 82 HD21 LEU 13 3HD2 LEU 13 3.324 2.280 -0.691 83 HD22 LEU 13 1HD2 LEU 13 2.240 1.426 0.417 84 HD23 LEU 13 2HD2 LEU 13 1.945 1.369 -1.332 85 H ILE 14 H ILE 14 4.103 -1.443 3.349 86 HA ILE 14 HA ILE 14 6.946 -1.748 4.106 87 HB ILE 14 HB ILE 14 4.485 -2.159 5.854 88 HG13 ILE 14 2HG1 ILE 14 6.212 0.322 5.537 89 HG21 ILE 14 1HG2 ILE 14 7.369 -1.812 6.741 90 HG22 ILE 14 2HG2 ILE 14 5.970 -2.481 7.634 91 HG23 ILE 14 3HG2 ILE 14 6.714 -3.387 6.326 92 HD11 ILE 14 3HD1 ILE 14 3.828 0.517 4.770 93 HD12 ILE 14 1HD1 ILE 14 3.291 -0.019 6.366 94 HD13 ILE 14 2HD1 ILE 14 4.141 1.512 6.199 95 H ASN 15 H ASN 15 7.690 -3.817 3.995 96 HA ASN 15 HA ASN 15 5.866 -5.838 2.822 97 HB3 ASN 15 2HB ASN 15 8.911 -5.777 2.661 98 HD21 ASN 15 1HD2 ASN 15 9.711 -7.304 1.235 99 HD22 ASN 15 2HD2 ASN 15 8.674 -8.325 0.245 100 H GLN 16 H GLN 16 5.138 -6.363 5.158 101 HA GLN 16 HA GLN 16 7.233 -7.185 7.028 102 HB3 GLN 16 2HB GLN 16 5.492 -7.225 8.689 103 HG3 GLN 16 2HG GLN 16 4.906 -4.873 6.845 104 HE21 GLN 16 1HE2 GLN 16 2.748 -5.572 8.474 105 HE22 GLN 16 2HE2 GLN 16 2.747 -4.419 9.759 106 H THR 17 H THR 17 6.686 -8.906 4.642 107 HA THR 17 HA THR 17 5.657 -11.390 5.869 108 HB THR 17 HB THR 17 5.613 -11.912 3.256 109 HG1 THR 17 1HG THR 17 6.612 -9.830 2.719 110 HG21 THR 17 3HG2 THR 17 3.666 -11.673 4.830 111 HG22 THR 17 1HG2 THR 17 3.336 -11.106 3.187 112 HG23 THR 17 2HG2 THR 17 3.695 -9.926 4.460 113 H TYR 18 H TYR 18 6.563 -13.325 4.578 114 HA TYR 18 HA TYR 18 9.467 -13.362 5.135 115 HB3 TYR 18 2HB TYR 18 8.271 -14.802 6.464 116 HD1 TYR 18 1HD TYR 18 7.067 -15.679 2.955 117 HD2 TYR 18 2HD TYR 18 6.763 -16.403 7.213 118 HE1 TYR 18 1HE TYR 18 5.060 -17.029 2.586 119 HE2 TYR 18 2HE TYR 18 4.781 -17.773 6.837 120 HH TYR 18 HH TYR 18 3.341 -18.295 3.580 121 H PHE 19 H PHE 19 8.274 -12.482 2.419 122 HA PHE 19 HA PHE 19 10.116 -14.162 0.784 123 HB3 PHE 19 2HB PHE 19 8.035 -14.996 0.145 124 HD1 PHE 19 1HD PHE 19 7.592 -11.318 -0.634 125 HD2 PHE 19 2HD PHE 19 5.781 -14.943 0.909 126 HE1 PHE 19 1HE PHE 19 5.516 -10.086 -0.071 127 HE2 PHE 19 2HE PHE 19 3.788 -13.685 1.492 128 HZ PHE 19 HZ PHE 19 3.627 -11.242 0.959 129 H ASN 20 H ASN 20 10.414 -12.839 -1.409 130 HA ASN 20 HA ASN 20 10.969 -9.951 -0.799 131 HB3 ASN 20 2HB ASN 20 12.136 -11.965 -2.737 132 HD21 ASN 20 1HD2 ASN 20 12.972 -11.292 -4.683 133 HD22 ASN 20 2HD2 ASN 20 13.256 -9.602 -5.074 134 H VAL 21 H VAL 21 10.042 -8.351 -2.229 135 HA VAL 21 HA VAL 21 8.209 -9.455 -4.354 136 HB VAL 21 HB VAL 21 6.667 -7.644 -3.930 137 HG11 VAL 21 1HG1 VAL 21 7.177 -9.242 -1.416 138 HG12 VAL 21 2HG1 VAL 21 5.648 -8.498 -1.907 139 HG13 VAL 21 3HG1 VAL 21 6.327 -9.817 -2.877 140 HG21 VAL 21 3HG2 VAL 21 8.536 -6.924 -1.660 141 HG22 VAL 21 1HG2 VAL 21 7.880 -5.887 -2.940 142 HG23 VAL 21 2HG2 VAL 21 6.847 -6.458 -1.622 143 H LYS 22 H LYS 22 8.434 -8.594 -6.274 144 HA LYS 22 HA LYS 22 10.405 -6.362 -6.720 145 HB3 LYS 22 2HB LYS 22 11.592 -8.421 -6.912 146 HG3 LYS 22 2HG LYS 22 10.663 -9.846 -9.069 147 HD3 LYS 22 2HD LYS 22 10.358 -10.194 -6.102 148 HE3 LYS 22 2HE LYS 22 8.147 -10.934 -7.021 149 HZ1 LYS 22 3HZ LYS 22 9.707 -12.994 -8.476 150 HZ2 LYS 22 1HZ LYS 22 8.866 -11.756 -9.157 151 HZ3 LYS 22 2HZ LYS 22 8.070 -12.877 -8.278 152 H ASN 23 H ASN 23 7.657 -5.907 -6.815 153 HA ASN 23 HA ASN 23 7.076 -4.567 -9.085 154 HB3 ASN 23 2HB ASN 23 6.967 -6.327 -10.614 155 HD21 ASN 23 1HD2 ASN 23 5.885 -7.701 -7.531 156 HD22 ASN 23 2HD2 ASN 23 6.146 -9.374 -8.035 157 H ILE 24 H ILE 24 6.510 -3.548 -6.808 158 HA ILE 24 HA ILE 24 3.745 -4.435 -6.175 159 HB ILE 24 HB ILE 24 5.139 -2.015 -5.038 160 HG13 ILE 24 2HG1 ILE 24 5.430 -3.431 -2.972 161 HG21 ILE 24 1HG2 ILE 24 2.760 -1.991 -4.818 162 HG22 ILE 24 2HG2 ILE 24 2.733 -3.636 -4.132 163 HG23 ILE 24 3HG2 ILE 24 3.472 -2.295 -3.254 164 HD11 ILE 24 3HD1 ILE 24 5.540 -5.844 -4.752 165 HD12 ILE 24 1HD1 ILE 24 5.372 -5.724 -2.984 166 HD13 ILE 24 2HD1 ILE 24 3.999 -5.380 -4.009 167 H LYS 25 H LYS 25 2.002 -3.391 -6.992 168 HA LYS 25 HA LYS 25 2.370 -0.820 -8.445 169 HB3 LYS 25 2HB LYS 25 0.243 -2.985 -8.655 170 HG3 LYS 25 2HG LYS 25 -0.546 -0.540 -8.880 171 HD3 LYS 25 2HD LYS 25 0.464 -1.033 -11.702 172 HE3 LYS 25 2HE LYS 25 -0.631 1.369 -11.706 173 HZ1 LYS 25 3HZ LYS 25 -2.589 -0.828 -11.552 174 HZ2 LYS 25 1HZ LYS 25 -1.540 -0.589 -12.840 175 HZ3 LYS 25 2HZ LYS 25 -2.592 0.577 -12.443 176 H VAL 26 H VAL 26 1.123 0.846 -7.604 177 HA VAL 26 HA VAL 26 -0.747 0.175 -5.415 178 HB VAL 26 HB VAL 26 1.585 1.261 -4.817 179 HG11 VAL 26 1HG1 VAL 26 1.156 3.089 -6.625 180 HG12 VAL 26 2HG1 VAL 26 0.161 3.845 -5.326 181 HG13 VAL 26 3HG1 VAL 26 1.884 3.496 -5.086 182 HG21 VAL 26 3HG2 VAL 26 0.648 2.588 -3.008 183 HG22 VAL 26 1HG2 VAL 26 -0.956 2.525 -3.767 184 HG23 VAL 26 2HG2 VAL 26 -0.155 1.034 -3.215 185 H THR 27 H THR 27 -2.639 1.403 -5.488 186 HA THR 27 HA THR 27 -2.991 3.494 -7.545 187 HB THR 27 HB THR 27 -5.027 1.293 -6.992 188 HG1 THR 27 1HG THR 27 -4.274 0.189 -8.637 189 HG21 THR 27 3HG2 THR 27 -4.725 3.544 -9.005 190 HG22 THR 27 1HG2 THR 27 -6.059 3.273 -7.865 191 HG23 THR 27 2HG2 THR 27 -5.855 2.190 -9.269 192 H TRP 28 H TRP 28 -4.244 5.219 -6.712 193 HA TRP 28 HA TRP 28 -5.428 4.877 -3.993 194 HB3 TRP 28 2HB TRP 28 -3.130 5.639 -3.726 195 HD1 TRP 28 HD TRP 28 -4.232 9.244 -4.239 196 HE1 TRP 28 1HE TRP 28 -2.428 10.441 -5.592 197 HE3 TRP 28 3HE TRP 28 -1.707 5.176 -5.768 198 HZ2 TRP 28 2HZ TRP 28 0.225 9.629 -6.804 199 HZ3 TRP 28 3HZ TRP 28 0.415 5.372 -7.070 200 HH2 TRP 28 HH TRP 28 1.417 7.603 -7.507 201 H ASN 29 H ASN 29 -6.266 5.551 -6.951 202 HA ASN 29 HA ASN 29 -8.509 7.138 -6.226 203 HB3 ASN 29 2HB ASN 29 -7.477 8.710 -8.425 204 HD21 ASN 29 1HD2 ASN 29 -7.393 8.756 -4.834 205 HD22 ASN 29 2HD2 ASN 29 -7.887 10.417 -4.781 206 H ASP 30 H ASP 30 -9.604 7.742 -8.624 207 HA ASP 30 HA ASP 30 -9.986 5.106 -9.709 208 HB3 ASP 30 2HB ASP 30 -11.289 7.515 -10.942 209 H GLY 31 H GLY 31 -7.361 6.071 -10.169 210 HA2 GLY 31 1HA GLY 31 -6.603 5.134 -12.540 211 HA3 GLY 31 2HA GLY 31 -7.031 6.788 -13.000 212 H LYS 32 H LYS 32 -6.011 7.470 -9.993 213 HA LYS 32 HA LYS 32 -3.339 8.071 -10.887 214 HB3 LYS 32 2HB LYS 32 -3.967 8.433 -7.986 215 HG3 LYS 32 2HG LYS 32 -3.051 10.594 -8.302 216 HD3 LYS 32 2HD LYS 32 -1.437 8.431 -8.949 217 HE3 LYS 32 2HE LYS 32 -0.895 10.626 -10.951 218 HZ1 LYS 32 3HZ LYS 32 1.030 9.240 -10.343 219 HZ2 LYS 32 1HZ LYS 32 0.612 8.950 -11.894 220 HZ3 LYS 32 2HZ LYS 32 0.242 7.874 -10.728 221 H GLU 33 H GLU 33 -1.854 6.502 -10.980 222 HA GLU 33 HA GLU 33 -1.626 4.490 -8.809 223 HB3 GLU 33 2HB GLU 33 -1.311 2.861 -10.422 224 HG3 GLU 33 2HG GLU 33 -3.795 4.326 -11.051 225 H GLN 34 H GLN 34 0.546 3.313 -9.020 226 HA GLN 34 HA GLN 34 2.568 4.257 -10.710 227 HB3 GLN 34 2HB GLN 34 2.808 6.108 -9.088 228 HG3 GLN 34 2HG GLN 34 2.420 4.801 -6.952 229 HE21 GLN 34 1HE2 GLN 34 5.843 4.964 -7.666 230 HE22 GLN 34 2HE2 GLN 34 6.279 3.304 -7.195 231 H THR 35 H THR 35 4.875 3.033 -9.917 232 HA THR 35 HA THR 35 4.197 0.534 -8.540 233 HB THR 35 HB THR 35 5.372 -0.821 -10.205 234 HG1 THR 35 1HG THR 35 6.079 -0.050 -12.071 235 HG21 THR 35 3HG2 THR 35 3.042 -0.721 -10.456 236 HG22 THR 35 1HG2 THR 35 3.777 -0.742 -12.055 237 HG23 THR 35 2HG2 THR 35 3.142 0.790 -11.408 238 H VAL 36 H VAL 36 6.231 -0.600 -7.662 239 HA VAL 36 HA VAL 36 8.508 1.204 -7.447 240 HB VAL 36 HB VAL 36 8.742 0.350 -5.362 241 HG11 VAL 36 1HG1 VAL 36 6.738 0.783 -4.102 242 HG12 VAL 36 2HG1 VAL 36 6.808 1.887 -5.474 243 HG13 VAL 36 3HG1 VAL 36 5.729 0.479 -5.522 244 HG21 VAL 36 3HG2 VAL 36 7.500 -1.477 -4.295 245 HG22 VAL 36 1HG2 VAL 36 7.122 -2.005 -5.978 246 HG23 VAL 36 2HG2 VAL 36 8.799 -1.861 -5.416 247 H ASN 37 H ASN 37 10.596 0.023 -7.068 248 HA ASN 37 HA ASN 37 11.128 -1.996 -9.119 249 HB3 ASN 37 2HB ASN 37 12.813 -0.645 -6.987 250 HD21 ASN 37 1HD2 ASN 37 14.700 -1.681 -6.288 251 HD22 ASN 37 2HD2 ASN 37 15.475 -2.965 -7.176 252 H THR 38 H THR 38 12.148 -2.256 -5.661 253 HA THR 38 HA THR 38 11.043 -4.934 -5.444 254 HB THR 38 HB THR 38 14.006 -4.369 -5.545 255 HG1 THR 38 1HG THR 38 13.285 -4.565 -7.609 256 HG21 THR 38 3HG2 THR 38 12.576 -7.013 -5.091 257 HG22 THR 38 1HG2 THR 38 13.541 -6.131 -3.886 258 HG23 THR 38 2HG2 THR 38 14.329 -6.789 -5.309 259 H LEU 39 H LEU 39 11.131 -5.709 -3.290 260 HA LEU 39 HA LEU 39 11.775 -3.772 -1.187 261 HB3 LEU 39 2HB LEU 39 9.237 -5.072 -0.621 262 HG LEU 39 HG LEU 39 8.319 -2.835 -0.648 263 HD11 LEU 39 1HD1 LEU 39 9.880 -3.988 1.276 264 HD12 LEU 39 2HD1 LEU 39 8.701 -2.671 1.466 265 HD13 LEU 39 3HD1 LEU 39 10.409 -2.303 1.211 266 HD21 LEU 39 3HD2 LEU 39 9.743 -0.852 -0.550 267 HD22 LEU 39 1HD2 LEU 39 9.959 -1.625 -2.144 268 HD23 LEU 39 2HD2 LEU 39 11.177 -1.799 -0.853 269 H GLY 40 H GLY 40 12.856 -4.738 0.129 270 HA2 GLY 40 1HA GLY 40 13.417 -7.556 0.091 271 HA3 GLY 40 2HA GLY 40 14.152 -6.338 1.150 272 H SER 41 H SER 41 13.723 -8.520 2.553 273 HA SER 41 HA SER 41 11.034 -8.913 3.466 274 HB3 SER 41 2HB SER 41 12.026 -10.578 4.850 275 HG SER 41 HG SER 41 13.150 -11.693 3.393 276 H HIS 42 H HIS 42 9.965 -7.611 4.872 277 HA HIS 42 HA HIS 42 9.445 -6.051 6.329 278 HB3 HIS 42 2HB HIS 42 11.108 -5.612 8.294 279 HD1 HIS 42 1HD HIS 42 9.250 -6.010 9.913 280 HD2 HIS 42 2HD HIS 42 10.030 -9.296 7.402 281 HE1 HIS 42 1HE HIS 42 7.818 -7.977 10.807 282 H ASP 43 H ASP 43 11.205 -5.482 3.864 283 HA ASP 43 HA ASP 43 12.377 -2.912 4.484 284 HB3 ASP 43 2HB ASP 43 12.382 -2.691 1.937 285 H SER 44 H SER 44 11.665 -0.966 3.213 286 HA SER 44 HA SER 44 8.837 -0.802 2.725 287 HB3 SER 44 2HB SER 44 8.484 -0.515 4.987 288 HG SER 44 HG SER 44 10.224 -0.169 6.096 289 H ILE 45 H ILE 45 8.152 1.377 1.912 290 HA ILE 45 HA ILE 45 10.284 3.095 0.868 291 HB ILE 45 HB ILE 45 10.159 1.353 -0.799 292 HG13 ILE 45 2HG1 ILE 45 10.518 3.671 -1.544 293 HG21 ILE 45 1HG2 ILE 45 8.165 0.715 -2.016 294 HG22 ILE 45 2HG2 ILE 45 7.805 0.564 -0.308 295 HG23 ILE 45 3HG2 ILE 45 7.211 1.980 -1.205 296 HD11 ILE 45 3HD1 ILE 45 10.597 1.780 -3.192 297 HD12 ILE 45 1HD1 ILE 45 8.905 2.093 -3.606 298 HD13 ILE 45 2HD1 ILE 45 10.131 3.336 -3.907 299 H ASP 46 H ASP 46 9.309 5.155 0.075 300 HA ASP 46 HA ASP 46 6.602 5.772 1.093 301 HB3 ASP 46 2HB ASP 46 9.133 7.326 1.769 302 H PHE 47 H PHE 47 5.635 7.079 -0.367 303 HA PHE 47 HA PHE 47 7.233 8.730 -2.218 304 HB3 PHE 47 2HB PHE 47 7.283 6.798 -3.518 305 HD1 PHE 47 1HD PHE 47 3.658 7.201 -4.039 306 HD2 PHE 47 2HD PHE 47 6.788 4.696 -2.486 307 HE1 PHE 47 1HE PHE 47 2.071 5.314 -3.889 308 HE2 PHE 47 2HE PHE 47 5.182 2.787 -2.307 309 HZ PHE 47 HZ PHE 47 2.827 3.109 -2.964 310 H SER 48 H SER 48 6.147 10.437 -3.117 311 HA SER 48 HA SER 48 3.891 11.452 -1.773 312 HB3 SER 48 2HB SER 48 4.197 12.689 -4.375 313 HG SER 48 HG SER 48 3.917 14.116 -2.870 314 H SER 49 H SER 49 1.774 11.599 -2.277 315 HA SER 49 HA SER 49 0.575 10.008 -4.465 316 HB3 SER 49 2HB SER 49 -0.325 11.359 -1.934 317 HG SER 49 HG SER 49 -2.271 11.659 -2.498 318 H ASP 50 H ASP 50 -0.350 11.181 -6.187 319 HA ASP 50 HA ASP 50 0.551 13.934 -6.584 320 HB3 ASP 50 2HB ASP 50 -1.145 12.316 -8.482 321 H ALA 51 H ALA 51 -1.385 13.496 -4.451 322 HA ALA 51 HA ALA 51 -3.300 15.518 -5.323 323 HB1 ALA 51 1HB ALA 51 -5.224 14.289 -4.436 324 HB2 ALA 51 2HB ALA 51 -4.448 13.366 -5.744 325 HB3 ALA 51 3HB ALA 51 -4.179 12.902 -4.047 326 H GLY 52 H GLY 52 -4.425 16.465 -3.445 327 HA2 GLY 52 1HA GLY 52 -2.811 16.806 -1.078 328 HA3 GLY 52 2HA GLY 52 -4.405 17.477 -1.431 329 H SER 53 H SER 53 -5.695 14.906 -1.927 330 HA SER 53 HA SER 53 -5.992 13.847 0.818 331 HB3 SER 53 2HB SER 53 -7.675 15.323 1.076 332 HG SER 53 HG SER 53 -8.509 16.177 -1.287 333 H VAL 54 H VAL 54 -7.369 11.818 0.797 334 HA VAL 54 HA VAL 54 -8.240 10.678 -1.646 335 HB VAL 54 HB VAL 54 -5.959 10.289 -2.038 336 HG11 VAL 54 1HG1 VAL 54 -4.825 10.670 -0.045 337 HG12 VAL 54 2HG1 VAL 54 -5.605 9.301 0.786 338 HG13 VAL 54 3HG1 VAL 54 -4.430 9.017 -0.520 339 HG21 VAL 54 3HG2 VAL 54 -5.765 7.930 -2.237 340 HG22 VAL 54 1HG2 VAL 54 -6.868 7.629 -0.904 341 HG23 VAL 54 2HG2 VAL 54 -7.468 8.324 -2.428 342 H TYR 55 H TYR 55 -9.316 8.641 -1.221 343 HA TYR 55 HA TYR 55 -9.796 7.897 1.591 344 HB3 TYR 55 2HB TYR 55 -11.462 9.374 1.346 345 HD1 TYR 55 1HD TYR 55 -12.040 7.191 -1.753 346 HD2 TYR 55 2HD TYR 55 -12.255 11.150 -0.021 347 HE1 TYR 55 1HE TYR 55 -12.728 8.094 -3.922 348 HE2 TYR 55 2HE TYR 55 -13.031 12.033 -2.193 349 HH TYR 55 HH TYR 55 -13.049 10.101 -5.164 350 H LYS 56 H LYS 56 -8.753 6.630 -1.330 351 HA LYS 56 HA LYS 56 -9.726 4.025 -0.590 352 HB3 LYS 56 2HB LYS 56 -11.511 4.940 -2.149 353 HG3 LYS 56 2HG LYS 56 -9.440 4.302 -4.286 354 HD3 LYS 56 2HD LYS 56 -12.141 5.585 -4.723 355 HE3 LYS 56 2HE LYS 56 -10.341 3.827 -6.449 356 HZ1 LYS 56 3HZ LYS 56 -12.730 3.742 -7.053 357 HZ2 LYS 56 1HZ LYS 56 -11.852 4.451 -8.214 358 HZ3 LYS 56 2HZ LYS 56 -12.750 5.373 -7.208 359 H MET 57 H MET 57 -8.526 2.325 -1.668 360 HA MET 57 HA MET 57 -6.082 3.035 -3.103 361 HB3 MET 57 2HB MET 57 -6.110 2.023 -0.209 362 HG3 MET 57 2HG MET 57 -3.924 2.461 -2.207 363 HE1 MET 57 3HE MET 57 -1.738 4.902 -0.611 364 HE2 MET 57 1HE MET 57 -1.834 3.767 -1.980 365 HE3 MET 57 2HE MET 57 -3.202 4.857 -1.605 366 H ASP 58 H ASP 58 -5.260 1.115 -4.181 367 HA ASP 58 HA ASP 58 -6.638 -1.463 -3.667 368 HB3 ASP 58 2HB ASP 58 -6.771 -1.127 -6.434 369 H VAL 59 H VAL 59 -4.762 -2.378 -3.145 370 HA VAL 59 HA VAL 59 -2.336 -1.683 -4.649 371 HB VAL 59 HB VAL 59 -1.206 -2.603 -3.044 372 HG11 VAL 59 1HG1 VAL 59 -2.903 -1.029 -1.992 373 HG12 VAL 59 2HG1 VAL 59 -3.463 -2.446 -1.148 374 HG13 VAL 59 3HG1 VAL 59 -1.770 -1.930 -0.958 375 HG21 VAL 59 3HG2 VAL 59 -3.114 -4.769 -2.414 376 HG22 VAL 59 1HG2 VAL 59 -1.559 -4.912 -3.232 377 HG23 VAL 59 2HG2 VAL 59 -1.608 -4.464 -1.522 378 H THR 60 H THR 60 -0.899 -3.442 -5.730 379 HA THR 60 HA THR 60 -1.956 -6.104 -5.780 380 HB THR 60 HB THR 60 -3.462 -5.751 -7.366 381 HG1 THR 60 1HG THR 60 -2.759 -6.368 -9.330 382 HG21 THR 60 3HG2 THR 60 -1.839 -3.520 -8.537 383 HG22 THR 60 1HG2 THR 60 -3.357 -3.429 -7.615 384 HG23 THR 60 2HG2 THR 60 -3.381 -4.164 -9.208 385 H GLY 61 H GLY 61 -0.114 -6.871 -5.090 386 HA2 GLY 61 1HA GLY 61 2.414 -6.219 -6.600 387 HA3 GLY 61 2HA GLY 61 2.391 -6.552 -4.877 388 H THR 62 H THR 62 4.109 -8.143 -6.373 389 HA THR 62 HA THR 62 2.742 -10.705 -6.036 390 HB THR 62 HB THR 62 4.428 -10.103 -8.473 391 HG1 THR 62 1HG THR 62 1.758 -9.788 -7.924 392 HG21 THR 62 3HG2 THR 62 2.533 -12.472 -8.127 393 HG22 THR 62 1HG2 THR 62 4.291 -12.541 -7.843 394 HG23 THR 62 2HG2 THR 62 3.664 -12.131 -9.442 395 H THR 63 H THR 63 3.953 -12.365 -5.273 396 HA THR 63 HA THR 63 6.322 -11.698 -3.757 397 HB THR 63 HB THR 63 5.910 -13.753 -2.630 398 HG1 THR 63 1HG THR 63 4.387 -15.277 -3.466 399 HG21 THR 63 3HG2 THR 63 4.210 -11.954 -2.207 400 HG22 THR 63 1HG2 THR 63 3.649 -13.606 -1.909 401 HG23 THR 63 2HG2 THR 63 3.126 -12.753 -3.362 402 H GLN 64 H GLN 64 8.061 -13.278 -3.466 403 HA GLN 64 HA GLN 64 9.648 -13.886 -5.684 404 HB3 GLN 64 2HB GLN 64 9.701 -15.506 -3.207 405 HG3 GLN 64 2HG GLN 64 11.826 -14.158 -4.972 406 HE21 GLN 64 1HE2 GLN 64 11.553 -17.470 -3.474 407 HE22 GLN 64 2HE2 GLN 64 12.837 -17.093 -2.385 408 H SER 65 H SER 65 7.120 -15.920 -4.109 409 HA SER 65 HA SER 65 7.712 -18.143 -5.902 410 HB3 SER 65 2HB SER 65 5.265 -18.000 -4.151 411 HG SER 65 HG SER 65 5.367 -19.998 -4.764 412 H GLY 66 H GLY 66 6.206 -15.194 -6.505 413 HA2 GLY 66 1HA GLY 66 5.109 -14.612 -8.446 414 HA3 GLY 66 2HA GLY 66 4.934 -16.319 -8.859 415 H GLU 67 H GLU 67 3.818 -15.311 -5.652 416 HA GLU 67 HA GLU 67 1.011 -15.707 -6.478 417 HB3 GLU 67 2HB GLU 67 0.516 -15.101 -4.090 418 HG3 GLU 67 2HG GLU 67 2.154 -17.404 -4.893 419 H LYS 68 H LYS 68 -0.356 -14.123 -6.688 420 HA LYS 68 HA LYS 68 0.631 -11.326 -6.478 421 HB3 LYS 68 2HB LYS 68 -1.838 -12.598 -7.725 422 HG3 LYS 68 2HG LYS 68 -1.218 -9.726 -7.104 423 HD3 LYS 68 2HD LYS 68 -2.974 -9.429 -9.098 424 HE3 LYS 68 2HE LYS 68 -0.000 -9.674 -9.696 425 HZ1 LYS 68 3HZ LYS 68 -0.534 -7.636 -10.934 426 HZ2 LYS 68 1HZ LYS 68 -2.129 -7.841 -10.617 427 HZ3 LYS 68 2HZ LYS 68 -1.360 -8.955 -11.537 428 H PHE 69 H PHE 69 -0.300 -9.977 -5.029 429 HA PHE 69 HA PHE 69 -2.493 -11.027 -3.307 430 HB3 PHE 69 2HB PHE 69 -0.528 -11.175 -2.012 431 HD1 PHE 69 1HD PHE 69 -0.647 -7.478 -1.855 432 HD2 PHE 69 2HD PHE 69 1.682 -10.918 -2.934 433 HE1 PHE 69 1HE PHE 69 1.377 -6.057 -2.002 434 HE2 PHE 69 2HE PHE 69 3.721 -9.505 -3.068 435 HZ PHE 69 HZ PHE 69 3.554 -7.047 -2.582 436 H THR 70 H THR 70 -4.169 -9.594 -3.058 437 HA THR 70 HA THR 70 -3.786 -6.842 -4.103 438 HB THR 70 HB THR 70 -6.102 -6.860 -4.826 439 HG1 THR 70 1HG THR 70 -6.022 -9.683 -4.327 440 HG21 THR 70 3HG2 THR 70 -5.900 -7.948 -6.891 441 HG22 THR 70 1HG2 THR 70 -4.696 -9.110 -6.263 442 HG23 THR 70 2HG2 THR 70 -4.278 -7.396 -6.440 443 H GLY 71 H GLY 71 -5.081 -5.277 -3.118 444 HA2 GLY 71 1HA GLY 71 -6.306 -5.849 -0.477 445 HA3 GLY 71 2HA GLY 71 -4.873 -4.787 -0.561 446 H HIS 72 H HIS 72 -8.195 -5.218 -1.516 447 HA HIS 72 HA HIS 72 -8.381 -2.645 -2.920 448 HB3 HIS 72 2HB HIS 72 -10.718 -3.454 -3.332 449 HD1 HIS 72 1HD HIS 72 -9.755 -3.321 -5.874 450 HD2 HIS 72 2HD HIS 72 -8.660 -6.707 -3.584 451 HE1 HIS 72 1HE HIS 72 -8.619 -4.942 -7.450 452 H PHE 73 H PHE 73 -8.856 -0.868 -1.719 453 HA PHE 73 HA PHE 73 -10.280 -1.109 0.884 454 HB3 PHE 73 2HB PHE 73 -8.749 0.472 1.839 455 HD1 PHE 73 1HD PHE 73 -8.999 -2.015 2.829 456 HD2 PHE 73 2HD PHE 73 -5.890 -0.724 0.126 457 HE1 PHE 73 1HE PHE 73 -7.515 -3.847 3.630 458 HE2 PHE 73 2HE PHE 73 -4.428 -2.548 0.953 459 HZ PHE 73 HZ PHE 73 -5.270 -4.122 2.701 460 H LYS 74 H LYS 74 -11.547 0.648 1.472 461 HA LYS 74 HA LYS 74 -11.779 3.046 -0.112 462 HB3 LYS 74 2HB LYS 74 -14.291 2.851 -0.087 463 HG3 LYS 74 2HG LYS 74 -12.817 2.277 -2.152 464 HD3 LYS 74 2HD LYS 74 -14.357 -0.271 -2.259 465 HE3 LYS 74 2HE LYS 74 -11.503 0.559 -2.933 466 HZ1 LYS 74 3HZ LYS 74 -11.194 -1.412 -3.971 467 HZ2 LYS 74 1HZ LYS 74 -12.817 -1.772 -4.091 468 HZ3 LYS 74 2HZ LYS 74 -12.072 -1.919 -2.653 469 H GLY 75 H GLY 75 -13.359 4.477 1.271 470 HA2 GLY 75 1HA GLY 75 -13.667 5.551 3.252 471 HA3 GLY 75 2HA GLY 75 -13.960 3.943 3.942 472 H LEU 76 H LEU 76 -11.341 6.039 2.859 473 HA LEU 76 HA LEU 76 -9.579 5.187 5.133 474 HB3 LEU 76 2HB LEU 76 -7.722 5.886 3.590 475 HG LEU 76 HG LEU 76 -9.570 3.773 2.368 476 HD11 LEU 76 1HD1 LEU 76 -7.827 4.717 0.795 477 HD12 LEU 76 2HD1 LEU 76 -7.756 2.966 1.088 478 HD13 LEU 76 3HD1 LEU 76 -6.599 4.068 1.872 479 HD21 LEU 76 3HD2 LEU 76 -8.832 3.195 4.623 480 HD22 LEU 76 1HD2 LEU 76 -7.138 3.461 4.188 481 HD23 LEU 76 2HD2 LEU 76 -8.077 2.136 3.440 482 H VAL 77 H VAL 77 -8.351 6.871 6.116 483 HA VAL 77 HA VAL 77 -9.531 9.594 5.864 484 HB VAL 77 HB VAL 77 -9.486 9.582 8.397 485 HG11 VAL 77 1HG1 VAL 77 -11.548 9.365 7.076 486 HG12 VAL 77 2HG1 VAL 77 -11.374 7.597 7.082 487 HG13 VAL 77 3HG1 VAL 77 -11.626 8.472 8.603 488 HG21 VAL 77 3HG2 VAL 77 -9.363 6.541 8.127 489 HG22 VAL 77 1HG2 VAL 77 -7.988 7.551 8.644 490 HG23 VAL 77 2HG2 VAL 77 -9.473 7.510 9.604 491 H GLY 78 H GLY 78 -8.200 11.045 7.630 492 HA2 GLY 78 1HA GLY 78 -6.215 11.984 8.278 493 HA3 GLY 78 2HA GLY 78 -5.431 10.437 7.909 494 H LYS 79 H LYS 79 -3.625 11.842 7.172 495 HA LYS 79 HA LYS 79 -3.950 12.457 4.320 496 HB3 LYS 79 2HB LYS 79 -2.261 14.365 5.933 497 HG3 LYS 79 2HG LYS 79 -3.942 14.503 3.386 498 HD3 LYS 79 2HD LYS 79 -3.762 16.751 4.399 499 HE3 LYS 79 2HE LYS 79 -1.312 17.701 3.875 500 HZ1 LYS 79 3HZ LYS 79 -0.877 17.783 6.161 501 HZ2 LYS 79 1HZ LYS 79 -1.792 16.471 6.523 502 HZ3 LYS 79 2HZ LYS 79 -2.508 17.868 6.010 503 H ASP 80 H ASP 80 -3.035 10.114 5.596 504 HA ASP 80 HA ASP 80 -0.825 9.819 3.855 505 HB3 ASP 80 2HB ASP 80 0.435 10.253 6.043 506 H THR 81 H THR 81 -0.423 7.387 3.618 507 HA THR 81 HA THR 81 -2.450 5.699 4.826 508 HB THR 81 HB THR 81 -2.106 5.363 1.843 509 HG1 THR 81 1HG THR 81 -2.809 7.506 2.019 510 HG21 THR 81 3HG2 THR 81 -4.375 4.416 2.151 511 HG22 THR 81 1HG2 THR 81 -4.360 4.920 3.856 512 HG23 THR 81 2HG2 THR 81 -3.231 3.672 3.283 513 H ARG 82 H ARG 82 -1.347 4.047 5.631 514 HA ARG 82 HA ARG 82 1.207 3.172 4.377 515 HB3 ARG 82 2HB ARG 82 1.126 1.563 6.459 516 HG3 ARG 82 2HG ARG 82 1.503 4.537 6.927 517 HD3 ARG 82 2HD ARG 82 3.434 3.522 8.322 518 HE ARG 82 HE ARG 82 0.755 3.961 9.075 519 HH11 ARG 82 1HH1 ARG 82 3.630 2.254 10.268 520 HH12 ARG 82 2HH1 ARG 82 3.514 2.818 11.886 521 HH21 ARG 82 1HH2 ARG 82 0.465 4.620 11.200 522 HH22 ARG 82 2HH2 ARG 82 1.883 4.673 12.218 523 H VAL 83 H VAL 83 1.475 0.789 4.322 524 HA VAL 83 HA VAL 83 -0.970 -0.773 3.780 525 HB VAL 83 HB VAL 83 1.467 -0.583 2.002 526 HG11 VAL 83 1HG1 VAL 83 0.470 -2.865 2.052 527 HG12 VAL 83 2HG1 VAL 83 -1.127 -2.174 1.701 528 HG13 VAL 83 3HG1 VAL 83 0.167 -2.102 0.486 529 HG21 VAL 83 3HG2 VAL 83 0.085 0.286 0.268 530 HG22 VAL 83 1HG2 VAL 83 -1.342 0.349 1.355 531 HG23 VAL 83 2HG2 VAL 83 0.069 1.403 1.620 532 H PHE 84 H PHE 84 -0.768 -2.554 5.098 533 HA PHE 84 HA PHE 84 1.963 -3.487 5.846 534 HB3 PHE 84 2HB PHE 84 0.741 -4.724 7.602 535 HD1 PHE 84 1HD PHE 84 2.287 -1.801 7.089 536 HD2 PHE 84 2HD PHE 84 -0.716 -3.401 9.726 537 HE1 PHE 84 1HE PHE 84 2.863 -0.116 8.775 538 HE2 PHE 84 2HE PHE 84 -0.186 -1.675 11.382 539 HZ PHE 84 HZ PHE 84 1.614 -0.010 10.929 540 H ILE 85 H ILE 85 2.558 -4.915 4.422 541 HA ILE 85 HA ILE 85 0.666 -6.816 3.142 542 HB ILE 85 HB ILE 85 3.677 -6.494 2.751 543 HG13 ILE 85 2HG1 ILE 85 2.276 -4.547 1.846 544 HG21 ILE 85 1HG2 ILE 85 2.799 -8.793 2.352 545 HG22 ILE 85 2HG2 ILE 85 1.606 -8.147 1.213 546 HG23 ILE 85 3HG2 ILE 85 3.353 -8.063 0.857 547 HD11 ILE 85 3HD1 ILE 85 3.671 -6.180 -0.302 548 HD12 ILE 85 1HD1 ILE 85 3.295 -4.453 -0.338 549 HD13 ILE 85 2HD1 ILE 85 4.466 -5.078 0.840 550 H GLU 86 H GLU 86 0.360 -8.697 4.269 551 HA GLU 86 HA GLU 86 2.252 -10.041 5.922 552 HB3 GLU 86 2HB GLU 86 1.925 -8.327 7.528 553 HG3 GLU 86 2HG GLU 86 -1.092 -8.645 7.240 554 H LEU 87 H LEU 87 1.185 -11.909 6.817 555 HA LEU 87 HA LEU 87 -0.657 -12.967 4.791 556 HB3 LEU 87 2HB LEU 87 -0.192 -15.145 5.747 557 HG LEU 87 HG LEU 87 2.273 -13.369 5.573 558 HD11 LEU 87 1HD1 LEU 87 2.745 -15.024 7.329 559 HD12 LEU 87 2HD1 LEU 87 3.721 -15.201 5.868 560 HD13 LEU 87 3HD1 LEU 87 2.362 -16.325 6.176 561 HD21 LEU 87 3HD2 LEU 87 1.333 -15.751 3.939 562 HD22 LEU 87 1HD2 LEU 87 2.761 -14.744 3.620 563 HD23 LEU 87 2HD2 LEU 87 1.133 -14.044 3.505 564 H ASP 88 H ASP 88 -2.622 -14.144 5.303 565 HA ASP 88 HA ASP 88 -3.483 -14.427 7.982 566 HB3 ASP 88 2HB ASP 88 -5.496 -12.868 6.370 567 H GLU 89 H GLU 89 -6.236 -14.992 7.302 568 HA GLU 89 HA GLU 89 -7.455 -16.748 6.940 569 HB3 GLU 89 2HB GLU 89 -7.926 -17.353 4.771 570 HG3 GLU 89 2HG GLU 89 -7.510 -15.569 3.172 571 H ASN 90 H ASN 90 -4.690 -17.898 5.143 572 HA ASN 90 HA ASN 90 -4.267 -20.251 6.917 573 HB3 ASN 90 2HB ASN 90 -4.645 -21.832 5.052 574 HD21 ASN 90 1HD2 ASN 90 -7.307 -20.036 3.973 575 HD22 ASN 90 2HD2 ASN 90 -8.484 -20.526 5.170 576 H ALA 91 H ALA 91 -2.559 -18.241 6.689 577 HA ALA 91 HA ALA 91 -0.633 -17.336 6.003 578 HB1 ALA 91 1HB ALA 91 1.235 -18.778 5.360 579 HB2 ALA 91 2HB ALA 91 0.393 -19.401 6.777 580 HB3 ALA 91 3HB ALA 91 0.134 -20.159 5.182 581 H ASP 92 H ASP 92 -2.656 -16.826 4.358 582 HA ASP 92 HA ASP 92 -1.726 -17.123 1.523 583 HB3 ASP 92 2HB ASP 92 -3.879 -15.860 1.047 584 H VAL 93 H VAL 93 -1.271 -15.126 0.395 585 HA VAL 93 HA VAL 93 -0.316 -13.057 2.210 586 HB VAL 93 HB VAL 93 -0.108 -13.150 -0.827 587 HG11 VAL 93 1HG1 VAL 93 1.464 -11.679 1.346 588 HG12 VAL 93 2HG1 VAL 93 1.788 -11.609 -0.410 589 HG13 VAL 93 3HG1 VAL 93 0.300 -10.927 0.262 590 HG21 VAL 93 3HG2 VAL 93 2.235 -14.013 -0.330 591 HG22 VAL 93 1HG2 VAL 93 1.704 -14.286 1.334 592 HG23 VAL 93 2HG2 VAL 93 0.951 -15.167 0.016 593 H GLN 94 H GLN 94 -1.905 -11.975 3.080 594 HA GLN 94 HA GLN 94 -4.046 -10.768 1.429 595 HB3 GLN 94 2HB GLN 94 -4.979 -10.080 3.643 596 HG3 GLN 94 2HG GLN 94 -5.696 -12.147 4.456 597 HE21 GLN 94 1HE2 GLN 94 -4.853 -14.275 2.280 598 HE22 GLN 94 2HE2 GLN 94 -6.071 -14.045 1.049 599 H VAL 95 H VAL 95 -4.502 -8.433 2.612 600 HA VAL 95 HA VAL 95 -1.999 -6.968 2.988 601 HB VAL 95 HB VAL 95 -4.203 -6.020 1.113 602 HG11 VAL 95 1HG1 VAL 95 -3.030 -4.173 2.304 603 HG12 VAL 95 2HG1 VAL 95 -1.472 -4.814 1.760 604 HG13 VAL 95 3HG1 VAL 95 -2.648 -4.167 0.586 605 HG21 VAL 95 3HG2 VAL 95 -2.899 -7.812 0.000 606 HG22 VAL 95 1HG2 VAL 95 -2.602 -6.266 -0.730 607 HG23 VAL 95 2HG2 VAL 95 -1.391 -6.961 0.386 608 H PHE 96 H PHE 96 -2.255 -5.515 4.588 609 HA PHE 96 HA PHE 96 -4.934 -5.076 5.796 610 HB3 PHE 96 2HB PHE 96 -2.250 -5.541 7.178 611 HD1 PHE 96 2HD PHE 96 -5.825 -6.617 7.804 612 HD2 PHE 96 1HD PHE 96 -2.551 -4.168 9.132 613 HE1 PHE 96 2HE PHE 96 -7.097 -5.992 9.833 614 HE2 PHE 96 1HE PHE 96 -3.813 -3.570 11.186 615 HZ PHE 96 HZ PHE 96 -6.105 -4.495 11.539 616 H ILE 97 H ILE 97 -4.743 -3.116 7.343 617 HA ILE 97 HA ILE 97 -2.640 -1.241 6.669 618 HB ILE 97 HB ILE 97 -4.566 0.530 6.285 619 HG13 ILE 97 2HG1 ILE 97 -6.478 -1.089 6.571 620 HG21 ILE 97 1HG2 ILE 97 -4.131 0.486 3.969 621 HG22 ILE 97 2HG2 ILE 97 -2.719 -0.226 4.736 622 HG23 ILE 97 3HG2 ILE 97 -3.907 -1.277 3.941 623 HD11 ILE 97 3HD1 ILE 97 -7.784 -0.352 4.674 624 HD12 ILE 97 1HD1 ILE 97 -6.676 0.979 5.084 625 HD13 ILE 97 2HD1 ILE 97 -6.327 -0.088 3.699 626 HA PRO 98 HA PRO 98 -3.651 -0.255 10.882 627 HB3 PRO 98 2HB PRO 98 -1.492 0.459 11.169 628 HG3 PRO 98 2HG PRO 98 -0.301 1.494 9.414 629 HD3 PRO 98 2HD PRO 98 -1.130 -0.362 8.276 630 H GLN 99 H GLN 99 -5.723 0.347 11.200 631 HA GLN 99 HA GLN 99 -6.785 2.912 10.140 632 HB3 GLN 99 2HB GLN 99 -8.925 1.588 9.704 633 HG3 GLN 99 2HG GLN 99 -8.160 0.413 7.653 634 HE21 GLN 99 1HE2 GLN 99 -5.729 3.016 7.899 635 HE22 GLN 99 2HE2 GLN 99 -6.697 4.173 6.972 636 H GLY 100 H GLY 100 -9.245 2.926 11.231 637 HA2 GLY 100 1HA GLY 100 -9.433 2.078 13.918 638 HA3 GLY 100 2HA GLY 100 -8.851 3.739 13.872 639 H GLU 101 H GLU 101 -10.048 5.231 12.414 640 HA GLU 101 HA GLU 101 -12.879 5.292 12.861 641 HB3 GLU 101 2HB GLU 101 -12.532 7.369 11.282 642 HG3 GLU 101 2HG GLU 101 -11.185 8.614 13.035 643 H ILE 102 H ILE 102 -13.048 3.061 11.789 644 HA ILE 102 HA ILE 102 -14.075 3.361 9.040 645 HB ILE 102 HB ILE 102 -13.238 1.088 8.555 646 HG13 ILE 102 2HG1 ILE 102 -12.744 0.491 11.050 647 HG21 ILE 102 1HG2 ILE 102 -11.000 1.815 7.947 648 HG22 ILE 102 2HG2 ILE 102 -12.163 3.145 7.743 649 HG23 ILE 102 3HG2 ILE 102 -11.070 3.131 9.132 650 HD11 ILE 102 3HD1 ILE 102 -10.616 -0.200 8.985 651 HD12 ILE 102 1HD1 ILE 102 -11.037 -1.100 10.449 652 HD13 ILE 102 2HD1 ILE 102 -12.204 -0.996 9.125 653 H ASP 103 H ASP 103 -15.535 3.717 11.394 654 HA ASP 103 HA ASP 103 -17.174 1.308 11.386 655 HB3 ASP 103 2HB ASP 103 -15.693 1.360 13.457 Start of MODEL 13 1 H1 GLY 1 H GLY 1 1.745 16.456 9.669 2 HA2 GLY 1 1HA GLY 1 4.092 17.203 9.379 3 HA3 GLY 1 2HA GLY 1 3.102 17.442 7.914 4 H ALA 2 H ALA 2 1.821 19.596 7.905 5 HA ALA 2 HA ALA 2 3.006 21.700 9.529 6 HB1 ALA 2 1HB ALA 2 3.223 23.200 7.553 7 HB2 ALA 2 2HB ALA 2 4.334 21.832 7.459 8 HB3 ALA 2 3HB ALA 2 2.851 21.824 6.486 9 H GLN 3 H GLN 3 1.524 23.679 9.355 10 HA GLN 3 HA GLN 3 -1.146 22.788 9.722 11 HB3 GLN 3 2HB GLN 3 -0.195 24.706 10.892 12 HG3 GLN 3 2HG GLN 3 -0.778 26.385 8.413 13 HE21 GLN 3 1HE2 GLN 3 -1.961 27.730 10.197 14 HE22 GLN 3 2HE2 GLN 3 -0.924 28.629 11.296 15 H ASP 4 H ASP 4 0.407 24.320 6.860 16 HA ASP 4 HA ASP 4 -1.477 22.889 5.189 17 HB3 ASP 4 2HB ASP 4 -1.875 25.418 4.057 18 H GLY 5 H GLY 5 1.410 23.074 5.751 19 HA2 GLY 5 1HA GLY 5 2.670 24.432 3.500 20 HA3 GLY 5 2HA GLY 5 3.465 23.516 4.769 21 H LYS 6 H LYS 6 1.176 21.343 3.714 22 HA LYS 6 HA LYS 6 2.826 20.302 1.465 23 HB3 LYS 6 2HB LYS 6 2.099 18.019 2.833 24 HG3 LYS 6 2HG LYS 6 4.396 18.103 3.897 25 HD3 LYS 6 2HD LYS 6 4.157 18.610 0.898 26 HE3 LYS 6 2HE LYS 6 6.334 17.386 2.637 27 HZ1 LYS 6 3HZ LYS 6 7.305 16.827 0.450 28 HZ2 LYS 6 1HZ LYS 6 5.852 17.141 -0.267 29 HZ3 LYS 6 2HZ LYS 6 6.005 15.916 0.841 30 H GLU 7 H GLU 7 1.256 20.883 -0.072 31 HA GLU 7 HA GLU 7 -1.503 20.090 0.472 32 HB3 GLU 7 2HB GLU 7 -0.690 21.525 -2.033 33 HG3 GLU 7 2HG GLU 7 -2.979 21.592 -0.135 34 H THR 8 H THR 8 0.468 18.114 -0.065 35 HA THR 8 HA THR 8 -0.752 16.692 -2.350 36 HB THR 8 HB THR 8 1.959 15.767 -1.951 37 HG1 THR 8 1HG THR 8 1.817 18.485 -2.718 38 HG21 THR 8 3HG2 THR 8 0.565 15.548 -3.990 39 HG22 THR 8 1HG2 THR 8 2.152 16.245 -4.331 40 HG23 THR 8 2HG2 THR 8 0.706 17.288 -4.261 41 H THR 9 H THR 9 -0.237 14.212 -2.037 42 HA THR 9 HA THR 9 -0.537 13.516 0.854 43 HB THR 9 HB THR 9 -1.214 11.261 -0.471 44 HG1 THR 9 1HG THR 9 -2.069 13.366 -2.182 45 HG21 THR 9 3HG2 THR 9 -3.030 13.603 0.159 46 HG22 THR 9 1HG2 THR 9 -2.529 12.304 1.239 47 HG23 THR 9 2HG2 THR 9 -3.558 11.926 -0.137 48 H THR 10 H THR 10 0.319 10.960 1.032 49 HA THR 10 HA THR 10 2.758 10.570 -0.439 50 HB THR 10 HB THR 10 2.964 10.190 2.553 51 HG1 THR 10 1HG THR 10 2.829 12.212 2.810 52 HG21 THR 10 3HG2 THR 10 4.808 9.174 1.279 53 HG22 THR 10 1HG2 THR 10 5.412 10.624 2.034 54 HG23 THR 10 2HG2 THR 10 5.001 10.663 0.312 55 H ILE 11 H ILE 11 3.341 8.228 -0.282 56 HA ILE 11 HA ILE 11 1.255 6.495 0.927 57 HB ILE 11 HB ILE 11 2.388 6.404 -1.900 58 HG13 ILE 11 2HG1 ILE 11 0.423 8.000 -1.425 59 HG21 ILE 11 1HG2 ILE 11 0.868 4.350 -2.125 60 HG22 ILE 11 2HG2 ILE 11 2.295 4.156 -1.130 61 HG23 ILE 11 3HG2 ILE 11 0.725 4.370 -0.348 62 HD11 ILE 11 3HD1 ILE 11 -0.156 5.825 -3.454 63 HD12 ILE 11 1HD1 ILE 11 -0.789 7.475 -3.407 64 HD13 ILE 11 2HD1 ILE 11 0.935 7.218 -3.702 65 H ARG 12 H ARG 12 2.183 4.539 1.718 66 HA ARG 12 HA ARG 12 5.130 4.320 1.541 67 HB3 ARG 12 2HB ARG 12 3.797 4.195 4.248 68 HG3 ARG 12 2HG ARG 12 6.268 5.619 4.232 69 HD3 ARG 12 2HD ARG 12 7.104 3.308 5.196 70 HE ARG 12 HE ARG 12 5.789 5.551 6.330 71 HH11 ARG 12 1HH1 ARG 12 7.390 2.421 7.071 72 HH12 ARG 12 2HH1 ARG 12 7.858 2.936 8.645 73 HH21 ARG 12 1HH2 ARG 12 6.818 6.217 8.280 74 HH22 ARG 12 2HH2 ARG 12 7.600 5.058 9.299 75 H LEU 13 H LEU 13 5.590 2.333 0.929 76 HA LEU 13 HA LEU 13 3.641 0.120 1.470 77 HB3 LEU 13 2HB LEU 13 5.303 -0.966 -0.336 78 HG LEU 13 HG LEU 13 4.165 0.285 -2.274 79 HD11 LEU 13 1HD1 LEU 13 3.520 -1.940 -1.541 80 HD12 LEU 13 2HD1 LEU 13 2.091 -0.980 -1.989 81 HD13 LEU 13 3HD1 LEU 13 2.501 -1.267 -0.275 82 HD21 LEU 13 3HD2 LEU 13 3.465 2.288 -0.997 83 HD22 LEU 13 1HD2 LEU 13 2.355 1.297 -0.045 84 HD23 LEU 13 2HD2 LEU 13 2.102 1.475 -1.791 85 H ILE 14 H ILE 14 4.180 -1.054 3.343 86 HA ILE 14 HA ILE 14 7.062 -1.644 3.772 87 HB ILE 14 HB ILE 14 4.839 -2.009 5.804 88 HG13 ILE 14 2HG1 ILE 14 6.467 0.511 5.300 89 HG21 ILE 14 1HG2 ILE 14 7.850 -1.689 6.124 90 HG22 ILE 14 2HG2 ILE 14 6.660 -2.088 7.385 91 HG23 ILE 14 3HG2 ILE 14 6.988 -3.226 6.095 92 HD11 ILE 14 3HD1 ILE 14 4.114 0.787 4.722 93 HD12 ILE 14 1HD1 ILE 14 3.618 -0.112 6.166 94 HD13 ILE 14 2HD1 ILE 14 4.310 1.484 6.354 95 H ASN 15 H ASN 15 7.638 -3.832 4.040 96 HA ASN 15 HA ASN 15 5.652 -5.801 2.998 97 HB3 ASN 15 2HB ASN 15 8.682 -5.969 2.855 98 HD21 ASN 15 1HD2 ASN 15 9.352 -7.573 1.417 99 HD22 ASN 15 2HD2 ASN 15 8.266 -8.805 0.817 100 H GLN 16 H GLN 16 4.930 -6.115 5.417 101 HA GLN 16 HA GLN 16 7.083 -6.891 7.224 102 HB3 GLN 16 2HB GLN 16 5.514 -6.496 8.996 103 HG3 GLN 16 2HG GLN 16 5.026 -4.385 6.846 104 HE21 GLN 16 1HE2 GLN 16 6.675 -3.936 9.955 105 HE22 GLN 16 2HE2 GLN 16 5.449 -2.854 10.586 106 H THR 17 H THR 17 7.129 -8.800 5.543 107 HA THR 17 HA THR 17 5.443 -11.087 6.417 108 HB THR 17 HB THR 17 5.442 -11.521 3.850 109 HG1 THR 17 1HG THR 17 5.411 -9.449 2.723 110 HG21 THR 17 3HG2 THR 17 3.794 -9.116 4.517 111 HG22 THR 17 1HG2 THR 17 3.579 -10.604 5.454 112 HG23 THR 17 2HG2 THR 17 3.334 -10.689 3.767 113 H TYR 18 H TYR 18 6.302 -12.902 4.723 114 HA TYR 18 HA TYR 18 9.158 -13.344 5.426 115 HB3 TYR 18 2HB TYR 18 7.283 -14.742 6.509 116 HD1 TYR 18 2HD TYR 18 6.283 -14.880 3.352 117 HD2 TYR 18 1HD TYR 18 7.752 -17.605 6.319 118 HE1 TYR 18 2HE TYR 18 5.172 -16.749 2.160 119 HE2 TYR 18 1HE TYR 18 6.656 -19.480 5.159 120 HH TYR 18 HH TYR 18 4.631 -19.045 2.232 121 H PHE 19 H PHE 19 8.074 -12.050 2.894 122 HA PHE 19 HA PHE 19 9.642 -13.676 0.958 123 HB3 PHE 19 2HB PHE 19 7.458 -14.542 0.617 124 HD1 PHE 19 2HD PHE 19 6.926 -10.916 -0.398 125 HD2 PHE 19 1HD PHE 19 5.349 -14.435 1.530 126 HE1 PHE 19 2HE PHE 19 4.869 -9.696 0.169 127 HE2 PHE 19 1HE PHE 19 3.381 -13.151 2.259 128 HZ PHE 19 HZ PHE 19 3.114 -10.793 1.550 129 H ASN 20 H ASN 20 9.755 -12.444 -1.193 130 HA ASN 20 HA ASN 20 10.185 -9.518 -0.739 131 HB3 ASN 20 2HB ASN 20 11.257 -11.489 -2.796 132 HD21 ASN 20 1HD2 ASN 20 11.356 -10.528 -4.839 133 HD22 ASN 20 2HD2 ASN 20 11.799 -8.833 -5.036 134 H VAL 21 H VAL 21 9.252 -8.036 -2.357 135 HA VAL 21 HA VAL 21 7.262 -9.153 -4.303 136 HB VAL 21 HB VAL 21 5.843 -7.209 -3.873 137 HG11 VAL 21 1HG1 VAL 21 4.650 -8.266 -1.943 138 HG12 VAL 21 2HG1 VAL 21 5.057 -9.356 -3.275 139 HG13 VAL 21 3HG1 VAL 21 6.024 -9.373 -1.787 140 HG21 VAL 21 3HG2 VAL 21 7.234 -7.183 -1.139 141 HG22 VAL 21 1HG2 VAL 21 7.432 -5.925 -2.359 142 HG23 VAL 21 2HG2 VAL 21 5.845 -6.201 -1.599 143 H LYS 22 H LYS 22 7.471 -8.098 -6.308 144 HA LYS 22 HA LYS 22 9.546 -5.937 -6.601 145 HB3 LYS 22 2HB LYS 22 10.635 -8.165 -6.627 146 HG3 LYS 22 2HG LYS 22 10.026 -9.371 -8.934 147 HD3 LYS 22 2HD LYS 22 8.818 -9.958 -6.247 148 HE3 LYS 22 2HE LYS 22 7.013 -10.552 -7.684 149 HZ1 LYS 22 3HZ LYS 22 7.342 -12.059 -9.563 150 HZ2 LYS 22 1HZ LYS 22 8.971 -12.012 -9.391 151 HZ3 LYS 22 2HZ LYS 22 8.139 -10.658 -9.829 152 H ASN 23 H ASN 23 6.656 -5.856 -6.979 153 HA ASN 23 HA ASN 23 6.346 -4.733 -9.497 154 HB3 ASN 23 2HB ASN 23 6.556 -6.842 -10.650 155 HD21 ASN 23 1HD2 ASN 23 4.229 -7.394 -8.045 156 HD22 ASN 23 2HD2 ASN 23 4.878 -9.023 -7.611 157 H ILE 24 H ILE 24 5.686 -3.927 -7.032 158 HA ILE 24 HA ILE 24 2.858 -4.622 -6.560 159 HB ILE 24 HB ILE 24 4.307 -2.433 -5.073 160 HG13 ILE 24 2HG1 ILE 24 5.875 -4.383 -4.938 161 HG21 ILE 24 1HG2 ILE 24 1.863 -2.839 -4.799 162 HG22 ILE 24 2HG2 ILE 24 2.182 -4.509 -4.284 163 HG23 ILE 24 3HG2 ILE 24 2.712 -3.143 -3.291 164 HD11 ILE 24 3HD1 ILE 24 6.334 -4.083 -2.740 165 HD12 ILE 24 1HD1 ILE 24 5.312 -2.683 -3.027 166 HD13 ILE 24 2HD1 ILE 24 4.625 -4.118 -2.234 167 H LYS 25 H LYS 25 1.270 -3.305 -7.203 168 HA LYS 25 HA LYS 25 1.931 -0.728 -8.523 169 HB3 LYS 25 2HB LYS 25 -0.151 -2.748 -9.379 170 HG3 LYS 25 2HG LYS 25 0.938 -1.403 -11.576 171 HD3 LYS 25 2HD LYS 25 -1.449 -2.044 -11.283 172 HE3 LYS 25 2HE LYS 25 -2.628 0.370 -10.758 173 HZ1 LYS 25 3HZ LYS 25 -3.467 -0.388 -8.777 174 HZ2 LYS 25 1HZ LYS 25 -2.286 -1.516 -8.537 175 HZ3 LYS 25 2HZ LYS 25 -3.395 -1.662 -9.788 176 H VAL 26 H VAL 26 0.978 0.788 -7.381 177 HA VAL 26 HA VAL 26 -1.434 0.153 -5.718 178 HB VAL 26 HB VAL 26 0.360 0.957 -4.377 179 HG11 VAL 26 1HG1 VAL 26 1.117 3.371 -4.614 180 HG12 VAL 26 2HG1 VAL 26 1.867 2.172 -5.704 181 HG13 VAL 26 3HG1 VAL 26 0.596 3.270 -6.290 182 HG21 VAL 26 3HG2 VAL 26 -1.456 3.361 -4.677 183 HG22 VAL 26 1HG2 VAL 26 -2.001 1.835 -3.962 184 HG23 VAL 26 2HG2 VAL 26 -0.614 2.730 -3.249 185 H THR 27 H THR 27 -3.351 1.274 -6.106 186 HA THR 27 HA THR 27 -3.301 3.618 -7.940 187 HB THR 27 HB THR 27 -5.697 1.827 -7.445 188 HG1 THR 27 1HG THR 27 -4.560 1.496 -9.911 189 HG21 THR 27 3HG2 THR 27 -6.162 4.050 -8.401 190 HG22 THR 27 1HG2 THR 27 -6.509 2.767 -9.578 191 HG23 THR 27 2HG2 THR 27 -5.032 3.737 -9.722 192 H TRP 28 H TRP 28 -4.454 5.459 -7.037 193 HA TRP 28 HA TRP 28 -5.488 5.169 -4.240 194 HB3 TRP 28 2HB TRP 28 -3.130 5.658 -4.073 195 HD1 TRP 28 HD TRP 28 -3.911 9.319 -4.873 196 HE1 TRP 28 1HE TRP 28 -1.885 10.261 -6.063 197 HE3 TRP 28 3HE TRP 28 -1.752 4.954 -6.277 198 HZ2 TRP 28 2HZ TRP 28 0.580 9.243 -7.222 199 HZ3 TRP 28 3HZ TRP 28 0.332 4.971 -7.570 200 HH2 TRP 28 HH TRP 28 1.599 7.130 -7.929 201 H ASN 29 H ASN 29 -6.631 5.830 -6.922 202 HA ASN 29 HA ASN 29 -8.457 7.919 -6.297 203 HB3 ASN 29 2HB ASN 29 -7.275 9.008 -8.689 204 HD21 ASN 29 1HD2 ASN 29 -6.966 9.428 -5.070 205 HD22 ASN 29 2HD2 ASN 29 -7.426 11.116 -5.096 206 H ASP 30 H ASP 30 -9.370 8.392 -8.992 207 HA ASP 30 HA ASP 30 -10.231 5.637 -9.628 208 HB3 ASP 30 2HB ASP 30 -11.941 6.866 -11.023 209 H GLY 31 H GLY 31 -7.557 6.640 -10.313 210 HA2 GLY 31 1HA GLY 31 -7.171 5.295 -12.687 211 HA3 GLY 31 2HA GLY 31 -7.290 6.983 -13.172 212 H LYS 32 H LYS 32 -6.034 7.778 -10.425 213 HA LYS 32 HA LYS 32 -3.364 7.873 -11.395 214 HB3 LYS 32 2HB LYS 32 -3.763 8.338 -8.455 215 HG3 LYS 32 2HG LYS 32 -2.721 10.461 -8.911 216 HD3 LYS 32 2HD LYS 32 -1.320 8.089 -9.290 217 HE3 LYS 32 2HE LYS 32 -0.615 10.058 -11.484 218 HZ1 LYS 32 3HZ LYS 32 0.983 8.467 -12.138 219 HZ2 LYS 32 1HZ LYS 32 0.542 7.367 -11.016 220 HZ3 LYS 32 2HZ LYS 32 1.282 8.812 -10.595 221 H GLU 33 H GLU 33 -2.151 6.034 -11.586 222 HA GLU 33 HA GLU 33 -1.632 4.552 -9.094 223 HB3 GLU 33 2HB GLU 33 -3.013 3.050 -10.102 224 HG3 GLU 33 2HG GLU 33 -1.573 3.003 -12.757 225 H GLN 34 H GLN 34 0.348 3.200 -9.265 226 HA GLN 34 HA GLN 34 2.375 3.938 -11.167 227 HB3 GLN 34 2HB GLN 34 2.420 5.904 -9.571 228 HG3 GLN 34 2HG GLN 34 2.284 4.445 -7.406 229 HE21 GLN 34 1HE2 GLN 34 5.576 4.885 -8.660 230 HE22 GLN 34 2HE2 GLN 34 6.146 3.345 -7.997 231 H THR 35 H THR 35 4.593 2.810 -10.416 232 HA THR 35 HA THR 35 3.959 0.330 -8.961 233 HB THR 35 HB THR 35 4.928 -0.988 -10.656 234 HG1 THR 35 1HG THR 35 6.623 0.197 -11.483 235 HG21 THR 35 3HG2 THR 35 2.759 -0.326 -11.074 236 HG22 THR 35 1HG2 THR 35 3.654 -0.700 -12.544 237 HG23 THR 35 2HG2 THR 35 3.293 1.018 -12.132 238 H VAL 36 H VAL 36 5.586 -0.434 -7.631 239 HA VAL 36 HA VAL 36 7.800 1.487 -7.150 240 HB VAL 36 HB VAL 36 7.093 -0.913 -5.433 241 HG11 VAL 36 1HG1 VAL 36 7.893 0.756 -3.670 242 HG12 VAL 36 2HG1 VAL 36 9.143 0.191 -4.773 243 HG13 VAL 36 3HG1 VAL 36 8.421 1.800 -4.993 244 HG21 VAL 36 3HG2 VAL 36 4.953 0.348 -5.631 245 HG22 VAL 36 1HG2 VAL 36 5.665 0.508 -4.033 246 HG23 VAL 36 2HG2 VAL 36 5.812 1.844 -5.191 247 H ASN 37 H ASN 37 10.038 0.535 -6.797 248 HA ASN 37 HA ASN 37 10.842 -1.396 -8.766 249 HB3 ASN 37 2HB ASN 37 12.144 -0.079 -6.377 250 HD21 ASN 37 1HD2 ASN 37 14.439 -0.328 -6.030 251 HD22 ASN 37 2HD2 ASN 37 15.208 -1.855 -6.398 252 H THR 38 H THR 38 11.555 -2.012 -5.282 253 HA THR 38 HA THR 38 10.230 -4.590 -5.322 254 HB THR 38 HB THR 38 13.264 -4.280 -5.235 255 HG1 THR 38 1HG THR 38 12.675 -4.222 -7.341 256 HG21 THR 38 3HG2 THR 38 11.539 -6.755 -4.995 257 HG22 THR 38 1HG2 THR 38 12.714 -6.117 -3.815 258 HG23 THR 38 2HG2 THR 38 13.279 -6.816 -5.317 259 H LEU 39 H LEU 39 10.479 -5.620 -3.186 260 HA LEU 39 HA LEU 39 11.460 -3.963 -1.000 261 HB3 LEU 39 2HB LEU 39 8.768 -5.063 -0.456 262 HG LEU 39 HG LEU 39 9.706 -3.497 1.078 263 HD11 LEU 39 1HD1 LEU 39 11.204 -2.048 -0.227 264 HD12 LEU 39 2HD1 LEU 39 9.932 -1.021 0.413 265 HD13 LEU 39 3HD1 LEU 39 9.890 -1.540 -1.275 266 HD21 LEU 39 3HD2 LEU 39 7.170 -3.407 0.105 267 HD22 LEU 39 1HD2 LEU 39 7.643 -1.708 -0.054 268 HD23 LEU 39 2HD2 LEU 39 7.766 -2.523 1.505 269 H GLY 40 H GLY 40 12.848 -5.312 -0.229 270 HA2 GLY 40 1HA GLY 40 12.741 -8.170 -0.201 271 HA3 GLY 40 2HA GLY 40 13.829 -7.096 0.700 272 H SER 41 H SER 41 13.407 -8.964 2.361 273 HA SER 41 HA SER 41 10.832 -9.131 3.546 274 HB3 SER 41 2HB SER 41 12.377 -10.963 3.834 275 HG SER 41 HG SER 41 13.941 -9.334 5.540 276 H HIS 42 H HIS 42 9.791 -7.837 4.931 277 HA HIS 42 HA HIS 42 9.308 -6.101 6.252 278 HB3 HIS 42 2HB HIS 42 11.302 -5.594 8.001 279 HD1 HIS 42 1HD HIS 42 9.580 -5.568 9.901 280 HD2 HIS 42 2HD HIS 42 9.409 -8.994 7.444 281 HE1 HIS 42 1HE HIS 42 7.712 -7.054 10.851 282 H ASP 43 H ASP 43 11.083 -5.602 3.679 283 HA ASP 43 HA ASP 43 12.362 -3.141 4.331 284 HB3 ASP 43 2HB ASP 43 11.748 -3.294 1.505 285 H SER 44 H SER 44 11.864 -1.286 2.750 286 HA SER 44 HA SER 44 9.076 -0.515 2.687 287 HB3 SER 44 2HB SER 44 9.191 -0.385 5.029 288 HG SER 44 HG SER 44 10.636 0.896 6.103 289 H ILE 45 H ILE 45 8.589 1.483 1.850 290 HA ILE 45 HA ILE 45 10.556 3.466 1.159 291 HB ILE 45 HB ILE 45 10.920 1.847 -0.604 292 HG13 ILE 45 2HG1 ILE 45 11.155 4.188 -1.143 293 HG21 ILE 45 1HG2 ILE 45 8.563 0.797 -0.521 294 HG22 ILE 45 2HG2 ILE 45 8.050 2.135 -1.567 295 HG23 ILE 45 3HG2 ILE 45 9.327 0.994 -2.082 296 HD11 ILE 45 3HD1 ILE 45 11.187 4.050 -3.502 297 HD12 ILE 45 1HD1 ILE 45 11.411 2.377 -2.942 298 HD13 ILE 45 2HD1 ILE 45 9.824 2.911 -3.542 299 H ASP 46 H ASP 46 9.535 5.417 0.546 300 HA ASP 46 HA ASP 46 6.621 5.688 0.947 301 HB3 ASP 46 2HB ASP 46 8.834 7.463 2.050 302 H PHE 47 H PHE 47 5.779 7.015 -0.652 303 HA PHE 47 HA PHE 47 7.649 8.472 -2.427 304 HB3 PHE 47 2HB PHE 47 7.509 6.547 -3.704 305 HD1 PHE 47 1HD PHE 47 6.827 4.573 -2.467 306 HD2 PHE 47 2HD PHE 47 4.004 7.077 -4.538 307 HE1 PHE 47 1HE PHE 47 5.205 2.703 -2.499 308 HE2 PHE 47 2HE PHE 47 2.373 5.225 -4.561 309 HZ PHE 47 HZ PHE 47 2.949 3.031 -3.501 310 H SER 48 H SER 48 6.785 10.145 -3.625 311 HA SER 48 HA SER 48 4.635 11.588 -2.460 312 HB3 SER 48 2HB SER 48 5.940 11.854 -5.217 313 HG SER 48 HG SER 48 4.617 13.789 -3.590 314 H SER 49 H SER 49 2.570 11.893 -3.171 315 HA SER 49 HA SER 49 1.399 10.001 -5.133 316 HB3 SER 49 2HB SER 49 0.401 11.429 -2.653 317 HG SER 49 HG SER 49 -1.522 11.415 -3.315 318 H ASP 50 H ASP 50 0.931 11.059 -6.998 319 HA ASP 50 HA ASP 50 1.331 13.921 -7.318 320 HB3 ASP 50 2HB ASP 50 0.198 11.932 -9.313 321 H ALA 51 H ALA 51 -0.640 13.658 -5.409 322 HA ALA 51 HA ALA 51 -2.972 14.785 -6.720 323 HB1 ALA 51 1HB ALA 51 -3.437 12.335 -6.840 324 HB2 ALA 51 2HB ALA 51 -3.253 12.224 -5.074 325 HB3 ALA 51 3HB ALA 51 -4.584 13.185 -5.769 326 H GLY 52 H GLY 52 -4.232 15.971 -5.273 327 HA2 GLY 52 1HA GLY 52 -2.896 16.986 -2.935 328 HA3 GLY 52 2HA GLY 52 -4.547 17.351 -3.445 329 H SER 53 H SER 53 -5.662 14.715 -3.456 330 HA SER 53 HA SER 53 -5.572 13.954 -0.604 331 HB3 SER 53 2HB SER 53 -7.201 15.652 -0.694 332 HG SER 53 HG SER 53 -8.547 14.470 -2.854 333 H VAL 54 H VAL 54 -6.628 11.962 -0.112 334 HA VAL 54 HA VAL 54 -7.317 10.120 -2.310 335 HB VAL 54 HB VAL 54 -5.101 9.613 -0.265 336 HG11 VAL 54 1HG1 VAL 54 -6.335 7.528 -0.528 337 HG12 VAL 54 2HG1 VAL 54 -6.292 7.675 -2.296 338 HG13 VAL 54 3HG1 VAL 54 -4.806 7.399 -1.390 339 HG21 VAL 54 3HG2 VAL 54 -3.710 9.201 -2.362 340 HG22 VAL 54 1HG2 VAL 54 -5.084 9.898 -3.268 341 HG23 VAL 54 2HG2 VAL 54 -4.202 10.881 -2.111 342 H TYR 55 H TYR 55 -8.951 8.799 -1.687 343 HA TYR 55 HA TYR 55 -9.460 8.299 1.192 344 HB3 TYR 55 2HB TYR 55 -10.952 9.921 0.838 345 HD1 TYR 55 1HD TYR 55 -11.734 7.618 -2.097 346 HD2 TYR 55 2HD TYR 55 -11.627 11.650 -0.589 347 HE1 TYR 55 1HE TYR 55 -12.538 8.487 -4.308 348 HE2 TYR 55 2HE TYR 55 -12.545 12.482 -2.727 349 HH TYR 55 HH TYR 55 -13.061 11.948 -4.905 350 H LYS 56 H LYS 56 -8.494 6.767 -1.506 351 HA LYS 56 HA LYS 56 -9.683 4.238 -0.732 352 HB3 LYS 56 2HB LYS 56 -11.365 5.025 -2.302 353 HG3 LYS 56 2HG LYS 56 -9.321 5.167 -4.559 354 HD3 LYS 56 2HD LYS 56 -11.053 6.756 -5.475 355 HE3 LYS 56 2HE LYS 56 -12.185 3.999 -4.855 356 HZ1 LYS 56 3HZ LYS 56 -12.668 5.841 -7.127 357 HZ2 LYS 56 1HZ LYS 56 -13.722 5.622 -5.932 358 HZ3 LYS 56 2HZ LYS 56 -13.342 4.360 -6.949 359 H MET 57 H MET 57 -8.377 2.450 -1.722 360 HA MET 57 HA MET 57 -6.008 3.209 -3.210 361 HB3 MET 57 2HB MET 57 -5.703 2.197 -0.344 362 HG3 MET 57 2HG MET 57 -3.722 2.569 -2.608 363 HE1 MET 57 3HE MET 57 -1.732 4.066 -2.113 364 HE2 MET 57 1HE MET 57 -2.986 4.831 -1.095 365 HE3 MET 57 2HE MET 57 -1.360 4.524 -0.450 366 H ASP 58 H ASP 58 -5.557 1.550 -4.549 367 HA ASP 58 HA ASP 58 -6.576 -1.167 -3.821 368 HB3 ASP 58 2HB ASP 58 -6.891 -1.404 -6.350 369 H VAL 59 H VAL 59 -4.923 -2.255 -3.363 370 HA VAL 59 HA VAL 59 -2.260 -1.800 -4.496 371 HB VAL 59 HB VAL 59 -1.547 -3.419 -2.961 372 HG11 VAL 59 1HG1 VAL 59 -3.927 -2.685 -1.311 373 HG12 VAL 59 2HG1 VAL 59 -2.188 -2.665 -0.896 374 HG13 VAL 59 3HG1 VAL 59 -2.873 -1.367 -1.891 375 HG21 VAL 59 3HG2 VAL 59 -2.883 -5.340 -3.474 376 HG22 VAL 59 1HG2 VAL 59 -3.002 -5.030 -1.735 377 HG23 VAL 59 2HG2 VAL 59 -4.308 -4.491 -2.821 378 H THR 60 H THR 60 -1.205 -3.477 -5.916 379 HA THR 60 HA THR 60 -2.448 -6.010 -5.854 380 HB THR 60 HB THR 60 -3.888 -5.755 -7.529 381 HG1 THR 60 1HG THR 60 -3.151 -6.545 -9.417 382 HG21 THR 60 3HG2 THR 60 -3.710 -4.320 -9.503 383 HG22 THR 60 1HG2 THR 60 -2.226 -3.629 -8.785 384 HG23 THR 60 2HG2 THR 60 -3.819 -3.527 -7.952 385 H GLY 61 H GLY 61 -0.785 -7.226 -5.559 386 HA2 GLY 61 1HA GLY 61 1.757 -6.579 -7.011 387 HA3 GLY 61 2HA GLY 61 1.810 -6.755 -5.252 388 H THR 62 H THR 62 3.399 -8.402 -6.530 389 HA THR 62 HA THR 62 2.090 -10.983 -6.186 390 HB THR 62 HB THR 62 4.104 -10.645 -8.418 391 HG1 THR 62 1HG THR 62 2.082 -9.349 -8.699 392 HG21 THR 62 3HG2 THR 62 3.147 -12.720 -9.211 393 HG22 THR 62 1HG2 THR 62 1.876 -12.699 -7.976 394 HG23 THR 62 2HG2 THR 62 3.569 -12.914 -7.509 395 H THR 63 H THR 63 3.316 -12.315 -4.936 396 HA THR 63 HA THR 63 5.709 -11.368 -3.613 397 HB THR 63 HB THR 63 5.487 -13.233 -2.251 398 HG1 THR 63 1HG THR 63 4.303 -15.035 -2.786 399 HG21 THR 63 3HG2 THR 63 3.521 -11.556 -2.255 400 HG22 THR 63 1HG2 THR 63 3.370 -13.102 -1.415 401 HG23 THR 63 2HG2 THR 63 2.576 -12.893 -2.996 402 H GLN 64 H GLN 64 7.584 -12.838 -3.310 403 HA GLN 64 HA GLN 64 9.064 -13.373 -5.629 404 HB3 GLN 64 2HB GLN 64 9.303 -14.709 -2.906 405 HG3 GLN 64 2HG GLN 64 11.353 -14.127 -5.100 406 HE21 GLN 64 1HE2 GLN 64 12.781 -12.950 -3.586 407 HE22 GLN 64 2HE2 GLN 64 13.450 -13.819 -2.219 408 H SER 65 H SER 65 6.862 -15.528 -3.699 409 HA SER 65 HA SER 65 7.588 -17.917 -5.101 410 HB3 SER 65 2HB SER 65 4.914 -17.233 -3.791 411 HG SER 65 HG SER 65 5.049 -19.522 -3.315 412 H GLY 66 H GLY 66 5.273 -15.314 -5.664 413 HA2 GLY 66 1HA GLY 66 4.755 -14.719 -7.999 414 HA3 GLY 66 2HA GLY 66 4.559 -16.436 -8.338 415 H GLU 67 H GLU 67 3.345 -15.240 -5.156 416 HA GLU 67 HA GLU 67 0.641 -15.993 -6.012 417 HB3 GLU 67 2HB GLU 67 0.242 -15.193 -3.532 418 HG3 GLU 67 2HG GLU 67 1.516 -17.683 -4.529 419 H LYS 68 H LYS 68 -0.881 -14.475 -6.248 420 HA LYS 68 HA LYS 68 0.018 -11.671 -6.452 421 HB3 LYS 68 2HB LYS 68 -2.448 -13.098 -7.548 422 HG3 LYS 68 2HG LYS 68 -1.511 -10.239 -7.647 423 HD3 LYS 68 2HD LYS 68 -2.834 -11.798 -9.873 424 HE3 LYS 68 2HE LYS 68 -2.698 -8.767 -9.670 425 HZ1 LYS 68 3HZ LYS 68 -4.404 -9.020 -11.383 426 HZ2 LYS 68 1HZ LYS 68 -4.215 -10.651 -11.372 427 HZ3 LYS 68 2HZ LYS 68 -2.987 -9.733 -11.900 428 H PHE 69 H PHE 69 -1.062 -10.174 -5.273 429 HA PHE 69 HA PHE 69 -3.310 -11.100 -3.573 430 HB3 PHE 69 2HB PHE 69 -1.435 -10.994 -2.123 431 HD1 PHE 69 1HD PHE 69 0.724 -10.622 -3.288 432 HD2 PHE 69 2HD PHE 69 -1.775 -7.351 -1.808 433 HE1 PHE 69 1HE PHE 69 2.668 -9.104 -3.402 434 HE2 PHE 69 2HE PHE 69 0.221 -5.827 -2.057 435 HZ PHE 69 HZ PHE 69 2.473 -6.759 -2.815 436 H THR 70 H THR 70 -5.004 -9.747 -3.617 437 HA THR 70 HA THR 70 -4.580 -7.008 -4.596 438 HB THR 70 HB THR 70 -6.820 -7.025 -5.475 439 HG1 THR 70 1HG THR 70 -6.722 -9.793 -4.827 440 HG21 THR 70 3HG2 THR 70 -6.346 -7.971 -7.584 441 HG22 THR 70 1HG2 THR 70 -5.157 -9.107 -6.889 442 HG23 THR 70 2HG2 THR 70 -4.833 -7.386 -6.886 443 H GLY 71 H GLY 71 -5.697 -5.559 -3.497 444 HA2 GLY 71 1HA GLY 71 -6.495 -6.516 -0.762 445 HA3 GLY 71 2HA GLY 71 -5.662 -5.021 -1.059 446 H HIS 72 H HIS 72 -6.749 -3.628 -2.255 447 HA HIS 72 HA HIS 72 -8.356 -2.209 -3.124 448 HB3 HIS 72 2HB HIS 72 -10.626 -2.880 -3.638 449 HD1 HIS 72 1HD HIS 72 -9.369 -2.664 -6.047 450 HD2 HIS 72 2HD HIS 72 -9.218 -6.396 -4.046 451 HE1 HIS 72 1HE HIS 72 -8.489 -4.375 -7.728 452 H PHE 73 H PHE 73 -8.781 -0.485 -1.852 453 HA PHE 73 HA PHE 73 -10.337 -0.879 0.656 454 HB3 PHE 73 2HB PHE 73 -8.733 0.561 1.796 455 HD1 PHE 73 2HD PHE 73 -8.790 -1.454 3.155 456 HD2 PHE 73 1HD PHE 73 -6.310 -1.269 -0.358 457 HE1 PHE 73 2HE PHE 73 -7.477 -3.408 3.961 458 HE2 PHE 73 1HE PHE 73 -5.084 -3.343 0.429 459 HZ PHE 73 HZ PHE 73 -5.647 -4.370 2.526 460 H LYS 74 H LYS 74 -11.405 0.944 1.404 461 HA LYS 74 HA LYS 74 -11.555 3.430 -0.124 462 HB3 LYS 74 2HB LYS 74 -14.133 3.238 -0.041 463 HG3 LYS 74 2HG LYS 74 -12.717 1.419 -2.006 464 HD3 LYS 74 2HD LYS 74 -15.354 2.930 -2.314 465 HE3 LYS 74 2HE LYS 74 -13.773 0.839 -3.853 466 HZ1 LYS 74 3HZ LYS 74 -16.567 1.563 -4.429 467 HZ2 LYS 74 1HZ LYS 74 -16.078 0.143 -3.706 468 HZ3 LYS 74 2HZ LYS 74 -15.600 0.488 -5.227 469 H GLY 75 H GLY 75 -13.244 4.808 1.167 470 HA2 GLY 75 1HA GLY 75 -13.949 5.674 3.186 471 HA3 GLY 75 2HA GLY 75 -13.669 4.097 3.936 472 H LEU 76 H LEU 76 -11.043 5.639 2.214 473 HA LEU 76 HA LEU 76 -9.496 5.667 4.710 474 HB3 LEU 76 2HB LEU 76 -7.599 6.199 3.292 475 HG LEU 76 HG LEU 76 -9.299 4.170 1.750 476 HD11 LEU 76 1HD1 LEU 76 -7.176 4.937 0.681 477 HD12 LEU 76 2HD1 LEU 76 -7.202 3.202 1.082 478 HD13 LEU 76 3HD1 LEU 76 -6.302 4.341 2.104 479 HD21 LEU 76 3HD2 LEU 76 -9.307 3.449 4.094 480 HD22 LEU 76 1HD2 LEU 76 -7.555 3.682 4.205 481 HD23 LEU 76 2HD2 LEU 76 -8.242 2.410 3.162 482 H VAL 77 H VAL 77 -8.260 7.504 5.333 483 HA VAL 77 HA VAL 77 -9.728 10.076 5.027 484 HB VAL 77 HB VAL 77 -9.666 10.194 7.515 485 HG11 VAL 77 1HG1 VAL 77 -11.537 8.694 7.908 486 HG12 VAL 77 2HG1 VAL 77 -11.689 9.404 6.300 487 HG13 VAL 77 3HG1 VAL 77 -11.138 7.728 6.494 488 HG21 VAL 77 3HG2 VAL 77 -9.159 8.298 8.892 489 HG22 VAL 77 1HG2 VAL 77 -8.966 7.222 7.511 490 HG23 VAL 77 2HG2 VAL 77 -7.773 8.507 7.843 491 H GLY 78 H GLY 78 -8.457 11.725 6.578 492 HA2 GLY 78 1HA GLY 78 -6.610 12.999 6.874 493 HA3 GLY 78 2HA GLY 78 -5.757 11.464 7.079 494 H LYS 79 H LYS 79 -3.885 12.324 6.120 495 HA LYS 79 HA LYS 79 -3.966 12.989 3.230 496 HB3 LYS 79 2HB LYS 79 -2.267 14.679 5.047 497 HG3 LYS 79 2HG LYS 79 -4.052 15.069 2.607 498 HD3 LYS 79 2HD LYS 79 -4.125 16.999 4.371 499 HE3 LYS 79 2HE LYS 79 -1.437 17.434 2.992 500 HZ1 LYS 79 3HZ LYS 79 -1.415 19.548 3.951 501 HZ2 LYS 79 1HZ LYS 79 -2.798 19.292 4.836 502 HZ3 LYS 79 2HZ LYS 79 -2.853 19.426 3.200 503 H ASP 80 H ASP 80 -2.946 10.604 4.749 504 HA ASP 80 HA ASP 80 -0.966 10.288 2.760 505 HB3 ASP 80 2HB ASP 80 0.605 10.879 4.592 506 H THR 81 H THR 81 -0.236 7.773 2.916 507 HA THR 81 HA THR 81 -2.271 6.157 4.243 508 HB THR 81 HB THR 81 -1.806 5.531 1.336 509 HG1 THR 81 1HG THR 81 -3.707 7.403 2.283 510 HG21 THR 81 3HG2 THR 81 -4.221 5.277 3.170 511 HG22 THR 81 1HG2 THR 81 -3.087 3.949 2.762 512 HG23 THR 81 2HG2 THR 81 -4.095 4.663 1.501 513 H ARG 82 H ARG 82 -1.596 3.747 4.044 514 HA ARG 82 HA ARG 82 1.196 3.343 3.362 515 HB3 ARG 82 2HB ARG 82 1.734 2.089 5.383 516 HG3 ARG 82 2HG ARG 82 0.596 4.676 6.437 517 HD3 ARG 82 2HD ARG 82 3.346 3.441 6.875 518 HE ARG 82 HE ARG 82 2.383 5.865 7.589 519 HH11 ARG 82 1HH1 ARG 82 3.467 3.104 9.586 520 HH12 ARG 82 2HH1 ARG 82 3.049 3.853 11.084 521 HH21 ARG 82 1HH2 ARG 82 2.108 6.947 9.528 522 HH22 ARG 82 2HH2 ARG 82 2.348 6.145 11.062 523 H VAL 83 H VAL 83 1.567 0.836 3.724 524 HA VAL 83 HA VAL 83 -0.861 -0.796 3.367 525 HB VAL 83 HB VAL 83 1.667 -0.985 1.684 526 HG11 VAL 83 1HG1 VAL 83 0.485 -3.172 2.182 527 HG12 VAL 83 2HG1 VAL 83 -0.941 -2.503 1.363 528 HG13 VAL 83 3HG1 VAL 83 0.562 -2.763 0.463 529 HG21 VAL 83 3HG2 VAL 83 0.280 0.929 0.867 530 HG22 VAL 83 1HG2 VAL 83 0.301 -0.437 -0.246 531 HG23 VAL 83 2HG2 VAL 83 -1.126 -0.142 0.790 532 H PHE 84 H PHE 84 -0.715 -2.181 5.088 533 HA PHE 84 HA PHE 84 1.990 -3.103 6.036 534 HB3 PHE 84 2HB PHE 84 0.689 -4.092 7.903 535 HD1 PHE 84 1HD PHE 84 2.359 -1.377 7.223 536 HD2 PHE 84 2HD PHE 84 -1.081 -2.356 9.598 537 HE1 PHE 84 1HE PHE 84 2.766 0.617 8.621 538 HE2 PHE 84 2HE PHE 84 -0.615 -0.470 11.081 539 HZ PHE 84 HZ PHE 84 1.274 1.097 10.579 540 H ILE 85 H ILE 85 2.480 -4.650 4.564 541 HA ILE 85 HA ILE 85 0.401 -6.654 3.778 542 HB ILE 85 HB ILE 85 3.342 -6.618 2.994 543 HG13 ILE 85 2HG1 ILE 85 2.299 -4.697 1.948 544 HG21 ILE 85 1HG2 ILE 85 2.006 -8.844 3.044 545 HG22 ILE 85 2HG2 ILE 85 1.040 -8.176 1.738 546 HG23 ILE 85 3HG2 ILE 85 2.791 -8.432 1.523 547 HD11 ILE 85 3HD1 ILE 85 2.504 -5.164 -0.406 548 HD12 ILE 85 1HD1 ILE 85 3.707 -6.182 0.431 549 HD13 ILE 85 2HD1 ILE 85 2.196 -6.889 -0.156 550 H GLU 86 H GLU 86 0.301 -8.476 5.080 551 HA GLU 86 HA GLU 86 2.536 -9.302 6.719 552 HB3 GLU 86 2HB GLU 86 1.452 -7.803 8.296 553 HG3 GLU 86 2HG GLU 86 -1.121 -9.387 7.841 554 H LEU 87 H LEU 87 2.121 -11.574 7.401 555 HA LEU 87 HA LEU 87 0.587 -12.980 5.419 556 HB3 LEU 87 2HB LEU 87 1.188 -14.990 6.898 557 HG LEU 87 HG LEU 87 2.404 -14.583 4.929 558 HD11 LEU 87 1HD1 LEU 87 3.993 -12.597 6.193 559 HD12 LEU 87 2HD1 LEU 87 2.864 -12.590 4.770 560 HD13 LEU 87 3HD1 LEU 87 4.410 -13.458 4.666 561 HD21 LEU 87 3HD2 LEU 87 4.413 -15.816 5.519 562 HD22 LEU 87 1HD2 LEU 87 3.364 -16.162 6.902 563 HD23 LEU 87 2HD2 LEU 87 4.593 -14.912 7.038 564 H ASP 88 H ASP 88 -0.909 -14.492 5.940 565 HA ASP 88 HA ASP 88 -2.168 -14.385 8.577 566 HB3 ASP 88 2HB ASP 88 -4.407 -14.252 6.773 567 H GLU 89 H GLU 89 -4.088 -15.901 8.550 568 HA GLU 89 HA GLU 89 -4.662 -17.976 8.901 569 HB3 GLU 89 2HB GLU 89 -6.082 -17.853 7.245 570 HG3 GLU 89 2HG GLU 89 -4.064 -17.904 5.015 571 H ASN 90 H ASN 90 -2.530 -18.694 6.234 572 HA ASN 90 HA ASN 90 -0.845 -20.394 7.974 573 HB3 ASN 90 2HB ASN 90 -2.491 -21.985 7.351 574 HD21 ASN 90 1HD2 ASN 90 -1.103 -22.319 4.163 575 HD22 ASN 90 2HD2 ASN 90 -2.710 -22.085 3.461 576 H ALA 91 H ALA 91 -0.305 -17.983 6.826 577 HA ALA 91 HA ALA 91 1.516 -16.910 6.084 578 HB1 ALA 91 1HB ALA 91 2.670 -19.503 4.971 579 HB2 ALA 91 2HB ALA 91 3.493 -17.967 5.192 580 HB3 ALA 91 3HB ALA 91 2.951 -18.871 6.619 581 H ASP 92 H ASP 92 -0.706 -16.612 4.967 582 HA ASP 92 HA ASP 92 -0.438 -16.820 1.997 583 HB3 ASP 92 2HB ASP 92 -2.872 -16.017 2.071 584 H VAL 93 H VAL 93 -1.690 -14.599 1.144 585 HA VAL 93 HA VAL 93 0.160 -12.558 2.264 586 HB VAL 93 HB VAL 93 -0.643 -13.064 -0.641 587 HG11 VAL 93 1HG1 VAL 93 0.007 -10.748 -0.409 588 HG12 VAL 93 2HG1 VAL 93 1.274 -11.135 0.713 589 HG13 VAL 93 3HG1 VAL 93 1.438 -11.569 -1.017 590 HG21 VAL 93 3HG2 VAL 93 1.954 -13.653 0.760 591 HG22 VAL 93 1HG2 VAL 93 0.775 -14.894 0.399 592 HG23 VAL 93 2HG2 VAL 93 1.516 -14.054 -0.937 593 H GLN 94 H GLN 94 -1.367 -11.640 3.574 594 HA GLN 94 HA GLN 94 -3.668 -10.334 2.180 595 HB3 GLN 94 2HB GLN 94 -4.397 -9.779 4.567 596 HG3 GLN 94 2HG GLN 94 -5.893 -11.346 4.250 597 HE21 GLN 94 1HE2 GLN 94 -4.299 -14.233 3.566 598 HE22 GLN 94 2HE2 GLN 94 -4.635 -14.226 1.837 599 H VAL 95 H VAL 95 -4.312 -8.277 2.702 600 HA VAL 95 HA VAL 95 -2.132 -6.340 3.022 601 HB VAL 95 HB VAL 95 -2.682 -5.971 0.800 602 HG11 VAL 95 1HG1 VAL 95 -5.347 -5.537 0.851 603 HG12 VAL 95 2HG1 VAL 95 -4.192 -6.499 -0.264 604 HG13 VAL 95 3HG1 VAL 95 -4.971 -7.180 1.167 605 HG21 VAL 95 3HG2 VAL 95 -2.001 -4.265 2.144 606 HG22 VAL 95 1HG2 VAL 95 -3.057 -3.777 0.815 607 HG23 VAL 95 2HG2 VAL 95 -3.644 -3.814 2.497 608 H PHE 96 H PHE 96 -2.306 -5.214 4.713 609 HA PHE 96 HA PHE 96 -4.915 -4.636 5.966 610 HB3 PHE 96 2HB PHE 96 -2.314 -4.817 7.539 611 HD1 PHE 96 1HD PHE 96 -3.338 -3.070 9.092 612 HD2 PHE 96 2HD PHE 96 -5.415 -6.676 8.036 613 HE1 PHE 96 1HE PHE 96 -5.060 -2.598 10.852 614 HE2 PHE 96 2HE PHE 96 -7.039 -6.279 9.892 615 HZ PHE 96 HZ PHE 96 -6.846 -4.246 11.309 616 H ILE 97 H ILE 97 -4.694 -2.526 7.262 617 HA ILE 97 HA ILE 97 -2.523 -0.790 6.457 618 HB ILE 97 HB ILE 97 -4.388 1.010 5.947 619 HG13 ILE 97 2HG1 ILE 97 -6.322 -0.557 6.371 620 HG21 ILE 97 1HG2 ILE 97 -3.786 -0.963 3.728 621 HG22 ILE 97 2HG2 ILE 97 -3.950 0.807 3.643 622 HG23 ILE 97 3HG2 ILE 97 -2.559 0.106 4.445 623 HD11 ILE 97 3HD1 ILE 97 -7.650 0.254 4.537 624 HD12 ILE 97 1HD1 ILE 97 -6.448 1.515 4.893 625 HD13 ILE 97 2HD1 ILE 97 -6.220 0.431 3.498 626 HA PRO 98 HA PRO 98 -3.427 0.661 10.557 627 HB3 PRO 98 2HB PRO 98 -1.381 1.690 10.680 628 HG3 PRO 98 2HG PRO 98 -0.311 2.459 8.734 629 HD3 PRO 98 2HD PRO 98 -1.026 0.400 7.903 630 H GLN 99 H GLN 99 -5.498 1.186 11.012 631 HA GLN 99 HA GLN 99 -6.816 3.513 9.770 632 HB3 GLN 99 2HB GLN 99 -8.889 2.066 9.610 633 HG3 GLN 99 2HG GLN 99 -8.299 0.741 7.601 634 HE21 GLN 99 1HE2 GLN 99 -5.925 3.367 7.355 635 HE22 GLN 99 2HE2 GLN 99 -7.009 4.449 6.463 636 H GLY 100 H GLY 100 -9.228 3.221 11.205 637 HA2 GLY 100 1HA GLY 100 -8.982 2.720 13.961 638 HA3 GLY 100 2HA GLY 100 -8.349 4.343 13.652 639 H GLU 101 H GLU 101 -10.337 4.534 11.316 640 HA GLU 101 HA GLU 101 -12.888 4.764 12.798 641 HB3 GLU 101 2HB GLU 101 -12.077 6.929 12.509 642 HG3 GLU 101 2HG GLU 101 -11.938 6.883 9.506 643 H ILE 102 H ILE 102 -12.843 2.454 12.244 644 HA ILE 102 HA ILE 102 -14.015 1.905 9.646 645 HB ILE 102 HB ILE 102 -12.628 -0.163 9.500 646 HG13 ILE 102 2HG1 ILE 102 -11.535 0.108 11.833 647 HG21 ILE 102 1HG2 ILE 102 -11.331 2.513 8.975 648 HG22 ILE 102 2HG2 ILE 102 -10.944 0.995 8.148 649 HG23 ILE 102 3HG2 ILE 102 -12.576 1.669 8.015 650 HD11 ILE 102 3HD1 ILE 102 -10.921 -1.598 10.172 651 HD12 ILE 102 1HD1 ILE 102 -9.795 -0.487 9.399 652 HD13 ILE 102 2HD1 ILE 102 -9.504 -1.013 11.064 653 H ASP 103 H ASP 103 -15.576 2.179 11.360 654 HA ASP 103 HA ASP 103 -17.422 1.292 11.941 655 HB3 ASP 103 2HB ASP 103 -17.052 -1.592 11.762 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.051 22.034 14.157 2 HA2 GLY 1 1HA GLY 1 -0.478 19.629 13.355 3 HA3 GLY 1 2HA GLY 1 -0.592 21.221 12.588 4 H ALA 2 H ALA 2 0.344 21.080 10.594 5 HA ALA 2 HA ALA 2 3.077 19.947 10.320 6 HB1 ALA 2 1HB ALA 2 1.517 18.106 9.745 7 HB2 ALA 2 2HB ALA 2 0.682 19.172 8.579 8 HB3 ALA 2 3HB ALA 2 2.371 18.679 8.309 9 H GLN 3 H GLN 3 1.186 22.567 10.014 10 HA GLN 3 HA GLN 3 0.788 24.265 8.670 11 HB3 GLN 3 2HB GLN 3 2.731 23.586 6.543 12 HG3 GLN 3 2HG GLN 3 1.507 25.805 6.773 13 HE21 GLN 3 1HE2 GLN 3 1.576 27.976 7.665 14 HE22 GLN 3 2HE2 GLN 3 2.362 28.318 9.217 15 H ASP 4 H ASP 4 0.464 24.335 5.915 16 HA ASP 4 HA ASP 4 -1.387 22.048 5.383 17 HB3 ASP 4 2HB ASP 4 -2.692 23.892 6.152 18 H GLY 5 H GLY 5 1.348 23.642 4.194 19 HA2 GLY 5 1HA GLY 5 0.367 24.437 1.656 20 HA3 GLY 5 2HA GLY 5 2.016 24.537 2.280 21 H LYS 6 H LYS 6 -0.042 21.678 1.552 22 HA LYS 6 HA LYS 6 1.674 20.905 -0.692 23 HB3 LYS 6 2HB LYS 6 1.704 19.320 1.910 24 HG3 LYS 6 2HG LYS 6 2.379 18.595 -0.917 25 HD3 LYS 6 2HD LYS 6 4.595 18.575 -0.015 26 HE3 LYS 6 2HE LYS 6 3.414 16.869 2.199 27 HZ1 LYS 6 3HZ LYS 6 6.304 17.353 1.735 28 HZ2 LYS 6 1HZ LYS 6 5.528 16.029 1.191 29 HZ3 LYS 6 2HZ LYS 6 5.604 16.284 2.781 30 H GLU 7 H GLU 7 0.183 20.516 -2.109 31 HA GLU 7 HA GLU 7 -2.422 19.356 -1.528 32 HB3 GLU 7 2HB GLU 7 -2.981 20.068 -3.774 33 HG3 GLU 7 2HG GLU 7 -2.525 22.072 -2.296 34 H THR 8 H THR 8 -0.209 17.603 -1.171 35 HA THR 8 HA THR 8 -0.992 15.496 -3.079 36 HB THR 8 HB THR 8 1.509 14.789 -2.929 37 HG1 THR 8 1HG THR 8 1.757 17.625 -2.831 38 HG21 THR 8 3HG2 THR 8 0.748 17.087 -4.771 39 HG22 THR 8 1HG2 THR 8 0.270 15.394 -5.028 40 HG23 THR 8 2HG2 THR 8 1.982 15.853 -5.066 41 H THR 9 H THR 9 -1.204 13.567 -2.123 42 HA THR 9 HA THR 9 -0.965 13.341 0.814 43 HB THR 9 HB THR 9 -1.702 10.886 0.108 44 HG1 THR 9 1HG THR 9 -2.805 12.390 -2.041 45 HG21 THR 9 3HG2 THR 9 -2.990 12.392 1.407 46 HG22 THR 9 1HG2 THR 9 -4.031 11.608 0.225 47 HG23 THR 9 2HG2 THR 9 -3.516 13.309 -0.030 48 H THR 10 H THR 10 0.131 11.176 1.548 49 HA THR 10 HA THR 10 2.353 10.518 -0.225 50 HB THR 10 HB THR 10 2.753 10.875 2.761 51 HG1 THR 10 1HG THR 10 3.597 12.897 2.368 52 HG21 THR 10 3HG2 THR 10 5.147 11.174 2.092 53 HG22 THR 10 1HG2 THR 10 4.692 10.963 0.391 54 HG23 THR 10 2HG2 THR 10 4.527 9.605 1.519 55 H ILE 11 H ILE 11 3.077 8.331 -0.008 56 HA ILE 11 HA ILE 11 1.175 6.563 1.472 57 HB ILE 11 HB ILE 11 2.324 6.290 -1.336 58 HG13 ILE 11 2HG1 ILE 11 0.335 7.960 -0.923 59 HG21 ILE 11 1HG2 ILE 11 0.471 4.433 0.259 60 HG22 ILE 11 2HG2 ILE 11 0.752 4.297 -1.490 61 HG23 ILE 11 3HG2 ILE 11 2.098 4.073 -0.393 62 HD11 ILE 11 3HD1 ILE 11 0.871 7.132 -3.167 63 HD12 ILE 11 1HD1 ILE 11 -0.185 5.722 -2.899 64 HD13 ILE 11 2HD1 ILE 11 -0.865 7.360 -2.887 65 H ARG 12 H ARG 12 2.291 4.286 1.817 66 HA ARG 12 HA ARG 12 5.186 4.352 1.907 67 HB3 ARG 12 2HB ARG 12 3.932 3.970 4.641 68 HG3 ARG 12 2HG ARG 12 6.204 5.657 4.716 69 HD3 ARG 12 2HD ARG 12 7.385 3.299 5.206 70 HE ARG 12 HE ARG 12 5.605 3.645 7.381 71 HH11 ARG 12 1HH1 ARG 12 8.376 5.112 5.671 72 HH12 ARG 12 2HH1 ARG 12 9.167 5.566 7.111 73 HH21 ARG 12 1HH2 ARG 12 6.574 4.356 9.231 74 HH22 ARG 12 2HH2 ARG 12 8.111 5.177 9.211 75 H LEU 13 H LEU 13 5.756 2.386 1.352 76 HA LEU 13 HA LEU 13 3.765 0.134 1.611 77 HB3 LEU 13 2HB LEU 13 5.486 -0.813 -0.230 78 HG LEU 13 HG LEU 13 4.239 0.320 -2.063 79 HD11 LEU 13 1HD1 LEU 13 2.105 -0.793 -1.569 80 HD12 LEU 13 2HD1 LEU 13 2.504 -0.830 0.145 81 HD13 LEU 13 3HD1 LEU 13 3.458 -1.787 -0.997 82 HD21 LEU 13 3HD2 LEU 13 2.390 1.820 -1.558 83 HD22 LEU 13 1HD2 LEU 13 3.849 2.480 -0.819 84 HD23 LEU 13 2HD2 LEU 13 2.643 1.647 0.167 85 H ILE 14 H ILE 14 4.280 -1.031 3.579 86 HA ILE 14 HA ILE 14 7.153 -1.682 3.963 87 HB ILE 14 HB ILE 14 4.920 -2.104 5.982 88 HG13 ILE 14 2HG1 ILE 14 6.573 0.404 5.516 89 HG21 ILE 14 1HG2 ILE 14 7.939 -1.742 6.306 90 HG22 ILE 14 2HG2 ILE 14 6.757 -2.201 7.549 91 HG23 ILE 14 3HG2 ILE 14 7.139 -3.307 6.221 92 HD11 ILE 14 3HD1 ILE 14 4.487 1.502 6.471 93 HD12 ILE 14 1HD1 ILE 14 4.201 0.705 4.919 94 HD13 ILE 14 2HD1 ILE 14 3.706 -0.058 6.439 95 H ASN 15 H ASN 15 7.870 -3.722 3.819 96 HA ASN 15 HA ASN 15 5.999 -5.818 2.863 97 HB3 ASN 15 2HB ASN 15 9.039 -5.739 2.746 98 HD21 ASN 15 1HD2 ASN 15 9.883 -7.441 1.564 99 HD22 ASN 15 2HD2 ASN 15 8.921 -8.807 1.043 100 H GLN 16 H GLN 16 5.347 -6.209 5.343 101 HA GLN 16 HA GLN 16 7.568 -7.118 7.007 102 HB3 GLN 16 2HB GLN 16 6.013 -7.141 8.823 103 HG3 GLN 16 2HG GLN 16 5.127 -4.653 7.346 104 HE21 GLN 16 1HE2 GLN 16 7.398 -3.407 9.220 105 HE22 GLN 16 2HE2 GLN 16 6.557 -3.361 10.753 106 H THR 17 H THR 17 6.245 -8.824 4.612 107 HA THR 17 HA THR 17 5.480 -11.260 5.989 108 HB THR 17 HB THR 17 5.329 -12.047 3.558 109 HG1 THR 17 1HG THR 17 5.622 -10.438 2.006 110 HG21 THR 17 3HG2 THR 17 3.854 -9.479 4.197 111 HG22 THR 17 1HG2 THR 17 3.387 -11.090 4.738 112 HG23 THR 17 2HG2 THR 17 3.364 -10.712 3.021 113 H TYR 18 H TYR 18 6.454 -13.265 4.726 114 HA TYR 18 HA TYR 18 9.325 -13.316 5.270 115 HB3 TYR 18 2HB TYR 18 7.816 -14.921 6.324 116 HD1 TYR 18 2HD TYR 18 6.635 -14.860 2.960 117 HD2 TYR 18 1HD TYR 18 7.725 -17.589 6.134 118 HE1 TYR 18 2HE TYR 18 5.213 -16.588 1.960 119 HE2 TYR 18 1HE TYR 18 6.306 -19.313 5.141 120 HH TYR 18 HH TYR 18 4.245 -18.768 2.247 121 H PHE 19 H PHE 19 8.186 -12.157 2.615 122 HA PHE 19 HA PHE 19 9.961 -13.745 0.848 123 HB3 PHE 19 2HB PHE 19 7.838 -14.566 0.282 124 HD1 PHE 19 2HD PHE 19 7.477 -10.822 -0.399 125 HD2 PHE 19 1HD PHE 19 5.504 -14.510 0.756 126 HE1 PHE 19 2HE PHE 19 5.366 -9.634 -0.150 127 HE2 PHE 19 1HE PHE 19 3.455 -13.296 1.055 128 HZ PHE 19 HZ PHE 19 3.286 -10.888 0.544 129 H ASN 20 H ASN 20 10.294 -12.490 -1.264 130 HA ASN 20 HA ASN 20 10.753 -9.569 -0.714 131 HB3 ASN 20 2HB ASN 20 12.051 -11.466 -2.760 132 HD21 ASN 20 1HD2 ASN 20 11.636 -9.838 -4.561 133 HD22 ASN 20 2HD2 ASN 20 12.499 -8.321 -4.516 134 H VAL 21 H VAL 21 9.966 -8.149 -2.391 135 HA VAL 21 HA VAL 21 8.194 -9.320 -4.472 136 HB VAL 21 HB VAL 21 6.637 -7.358 -4.075 137 HG11 VAL 21 1HG1 VAL 21 5.743 -9.413 -3.645 138 HG12 VAL 21 2HG1 VAL 21 6.737 -9.698 -2.203 139 HG13 VAL 21 3HG1 VAL 21 5.412 -8.512 -2.167 140 HG21 VAL 21 3HG2 VAL 21 8.179 -6.199 -2.382 141 HG22 VAL 21 1HG2 VAL 21 6.496 -6.396 -1.816 142 HG23 VAL 21 2HG2 VAL 21 7.775 -7.476 -1.229 143 H LYS 22 H LYS 22 7.913 -7.866 -6.286 144 HA LYS 22 HA LYS 22 10.179 -5.957 -6.683 145 HB3 LYS 22 2HB LYS 22 11.002 -8.279 -6.878 146 HG3 LYS 22 2HG LYS 22 9.989 -9.126 -9.342 147 HD3 LYS 22 2HD LYS 22 9.087 -9.961 -6.545 148 HE3 LYS 22 2HE LYS 22 7.423 -10.479 -8.314 149 HZ1 LYS 22 3HZ LYS 22 8.039 -12.104 -9.980 150 HZ2 LYS 22 1HZ LYS 22 9.608 -12.163 -9.441 151 HZ3 LYS 22 2HZ LYS 22 9.021 -10.820 -10.172 152 H ASN 23 H ASN 23 7.127 -5.817 -6.884 153 HA ASN 23 HA ASN 23 6.882 -4.389 -9.279 154 HB3 ASN 23 2HB ASN 23 6.952 -6.424 -10.572 155 HD21 ASN 23 1HD2 ASN 23 4.593 -7.046 -7.970 156 HD22 ASN 23 2HD2 ASN 23 5.159 -8.723 -7.672 157 H ILE 24 H ILE 24 6.110 -3.638 -6.776 158 HA ILE 24 HA ILE 24 3.349 -4.618 -6.210 159 HB ILE 24 HB ILE 24 4.957 -2.598 -4.574 160 HG13 ILE 24 2HG1 ILE 24 5.315 -5.567 -4.679 161 HG21 ILE 24 1HG2 ILE 24 3.467 -3.413 -2.758 162 HG22 ILE 24 2HG2 ILE 24 2.545 -2.744 -4.108 163 HG23 ILE 24 3HG2 ILE 24 2.666 -4.499 -3.905 164 HD11 ILE 24 3HD1 ILE 24 7.144 -3.383 -3.576 165 HD12 ILE 24 1HD1 ILE 24 7.602 -4.997 -4.112 166 HD13 ILE 24 2HD1 ILE 24 7.140 -3.794 -5.285 167 H LYS 25 H LYS 25 1.644 -3.440 -7.061 168 HA LYS 25 HA LYS 25 2.160 -0.686 -7.918 169 HB3 LYS 25 2HB LYS 25 0.056 -2.678 -8.740 170 HG3 LYS 25 2HG LYS 25 0.619 0.005 -10.038 171 HD3 LYS 25 2HD LYS 25 -0.882 -2.440 -10.843 172 HE3 LYS 25 2HE LYS 25 -2.209 0.292 -10.616 173 HZ1 LYS 25 3HZ LYS 25 -2.886 -0.550 -12.641 174 HZ2 LYS 25 1HZ LYS 25 -4.114 -0.862 -11.556 175 HZ3 LYS 25 2HZ LYS 25 -3.185 -2.094 -12.068 176 H VAL 26 H VAL 26 0.822 1.069 -7.015 177 HA VAL 26 HA VAL 26 -1.461 0.091 -5.307 178 HB VAL 26 HB VAL 26 -0.965 1.656 -3.613 179 HG11 VAL 26 1HG1 VAL 26 0.279 -0.514 -3.761 180 HG12 VAL 26 2HG1 VAL 26 1.649 0.426 -4.413 181 HG13 VAL 26 3HG1 VAL 26 1.021 0.736 -2.753 182 HG21 VAL 26 3HG2 VAL 26 -0.008 3.571 -4.878 183 HG22 VAL 26 1HG2 VAL 26 0.932 3.103 -3.467 184 HG23 VAL 26 2HG2 VAL 26 1.483 2.619 -5.085 185 H THR 27 H THR 27 -3.342 1.354 -5.429 186 HA THR 27 HA THR 27 -3.273 3.493 -7.448 187 HB THR 27 HB THR 27 -5.637 1.664 -7.201 188 HG1 THR 27 1HG THR 27 -3.989 0.198 -7.193 189 HG21 THR 27 3HG2 THR 27 -4.278 2.770 -9.664 190 HG22 THR 27 1HG2 THR 27 -5.679 3.495 -8.856 191 HG23 THR 27 2HG2 THR 27 -5.811 1.900 -9.604 192 H TRP 28 H TRP 28 -3.910 5.450 -6.337 193 HA TRP 28 HA TRP 28 -5.566 5.103 -3.856 194 HB3 TRP 28 2HB TRP 28 -3.246 5.783 -3.524 195 HD1 TRP 28 HD TRP 28 -4.291 9.377 -4.296 196 HE1 TRP 28 1HE TRP 28 -2.558 10.421 -5.844 197 HE3 TRP 28 3HE TRP 28 -1.814 5.141 -5.565 198 HZ2 TRP 28 2HZ TRP 28 -0.337 9.479 -7.506 199 HZ3 TRP 28 3HZ TRP 28 -0.078 5.203 -7.291 200 HH2 TRP 28 HH TRP 28 0.659 7.377 -8.293 201 H ASN 29 H ASN 29 -6.259 5.935 -6.724 202 HA ASN 29 HA ASN 29 -8.392 7.734 -6.297 203 HB3 ASN 29 2HB ASN 29 -7.162 9.263 -8.311 204 HD21 ASN 29 1HD2 ASN 29 -6.905 9.311 -4.674 205 HD22 ASN 29 2HD2 ASN 29 -7.539 10.954 -4.544 206 H ASP 30 H ASP 30 -9.327 8.235 -8.565 207 HA ASP 30 HA ASP 30 -9.690 5.565 -9.599 208 HB3 ASP 30 2HB ASP 30 -11.184 7.824 -10.860 209 H GLY 31 H GLY 31 -7.251 7.297 -10.384 210 HA2 GLY 31 1HA GLY 31 -6.751 6.019 -12.866 211 HA3 GLY 31 2HA GLY 31 -7.080 7.742 -13.163 212 H LYS 32 H LYS 32 -5.413 6.049 -10.431 213 HA LYS 32 HA LYS 32 -2.837 7.346 -11.104 214 HB3 LYS 32 2HB LYS 32 -2.930 7.705 -8.409 215 HG3 LYS 32 2HG LYS 32 -3.691 10.073 -8.816 216 HD3 LYS 32 2HD LYS 32 -1.364 8.686 -9.932 217 HE3 LYS 32 2HE LYS 32 -0.672 10.717 -11.295 218 HZ1 LYS 32 3HZ LYS 32 -1.783 9.912 -13.299 219 HZ2 LYS 32 1HZ LYS 32 -2.794 8.994 -12.417 220 HZ3 LYS 32 2HZ LYS 32 -1.149 8.686 -12.375 221 H GLU 33 H GLU 33 -1.405 5.703 -11.152 222 HA GLU 33 HA GLU 33 -1.401 3.823 -8.855 223 HB3 GLU 33 2HB GLU 33 -2.356 2.536 -10.716 224 HG3 GLU 33 2HG GLU 33 0.118 3.427 -12.224 225 H GLN 34 H GLN 34 0.587 2.814 -8.547 226 HA GLN 34 HA GLN 34 3.051 4.293 -9.300 227 HB3 GLN 34 2HB GLN 34 3.296 3.623 -6.535 228 HG3 GLN 34 2HG GLN 34 2.853 6.098 -6.193 229 HE21 GLN 34 1HE2 GLN 34 5.105 4.176 -6.805 230 HE22 GLN 34 2HE2 GLN 34 6.217 5.076 -7.831 231 H THR 35 H THR 35 4.653 2.692 -9.741 232 HA THR 35 HA THR 35 4.237 0.222 -8.183 233 HB THR 35 HB THR 35 5.138 -1.103 -9.811 234 HG1 THR 35 1HG THR 35 6.659 0.325 -10.797 235 HG21 THR 35 3HG2 THR 35 3.166 0.807 -11.146 236 HG22 THR 35 1HG2 THR 35 2.745 -0.420 -9.974 237 HG23 THR 35 2HG2 THR 35 3.405 -0.911 -11.521 238 H VAL 36 H VAL 36 5.822 -0.663 -7.047 239 HA VAL 36 HA VAL 36 8.239 0.992 -6.507 240 HB VAL 36 HB VAL 36 6.886 -1.325 -5.057 241 HG11 VAL 36 1HG1 VAL 36 8.611 -1.060 -3.300 242 HG12 VAL 36 2HG1 VAL 36 9.304 -1.625 -4.821 243 HG13 VAL 36 3HG1 VAL 36 9.506 0.070 -4.349 244 HG21 VAL 36 3HG2 VAL 36 7.340 1.575 -4.229 245 HG22 VAL 36 1HG2 VAL 36 5.780 0.842 -4.688 246 HG23 VAL 36 2HG2 VAL 36 6.613 0.304 -3.214 247 H ASN 37 H ASN 37 10.165 0.252 -7.222 248 HA ASN 37 HA ASN 37 10.437 -1.849 -9.079 249 HB3 ASN 37 2HB ASN 37 12.479 -0.430 -7.362 250 HD21 ASN 37 1HD2 ASN 37 12.119 -2.916 -10.062 251 HD22 ASN 37 2HD2 ASN 37 13.744 -3.519 -9.802 252 H THR 38 H THR 38 11.876 -1.965 -5.668 253 HA THR 38 HA THR 38 10.818 -4.664 -5.454 254 HB THR 38 HB THR 38 13.751 -4.225 -5.018 255 HG1 THR 38 1HG THR 38 13.751 -3.761 -7.093 256 HG21 THR 38 3HG2 THR 38 12.874 -6.346 -4.153 257 HG22 THR 38 1HG2 THR 38 13.998 -6.613 -5.483 258 HG23 THR 38 2HG2 THR 38 12.266 -6.738 -5.779 259 H LEU 39 H LEU 39 11.093 -5.536 -3.315 260 HA LEU 39 HA LEU 39 11.715 -3.682 -1.140 261 HB3 LEU 39 2HB LEU 39 9.251 -5.205 -0.639 262 HG LEU 39 HG LEU 39 9.462 -3.438 0.874 263 HD11 LEU 39 1HD1 LEU 39 9.604 -1.059 0.284 264 HD12 LEU 39 2HD1 LEU 39 9.823 -1.472 -1.432 265 HD13 LEU 39 3HD1 LEU 39 11.041 -1.890 -0.236 266 HD21 LEU 39 3HD2 LEU 39 7.525 -2.423 -1.236 267 HD22 LEU 39 1HD2 LEU 39 7.419 -2.287 0.538 268 HD23 LEU 39 2HD2 LEU 39 7.226 -3.867 -0.236 269 H GLY 40 H GLY 40 13.110 -4.774 -0.051 270 HA2 GLY 40 1HA GLY 40 13.507 -7.648 -0.158 271 HA3 GLY 40 2HA GLY 40 14.336 -6.463 0.880 272 H SER 41 H SER 41 13.809 -8.668 2.187 273 HA SER 41 HA SER 41 11.212 -8.997 3.293 274 HB3 SER 41 2HB SER 41 12.302 -10.525 4.760 275 HG SER 41 HG SER 41 13.684 -11.626 3.433 276 H HIS 42 H HIS 42 10.163 -7.667 4.778 277 HA HIS 42 HA HIS 42 9.708 -5.974 6.116 278 HB3 HIS 42 2HB HIS 42 11.568 -5.411 7.905 279 HD1 HIS 42 1HD HIS 42 9.833 -5.581 9.733 280 HD2 HIS 42 2HD HIS 42 10.285 -9.088 7.420 281 HE1 HIS 42 1HE HIS 42 8.324 -7.348 10.792 282 H ASP 43 H ASP 43 11.288 -5.416 3.478 283 HA ASP 43 HA ASP 43 12.574 -2.928 4.085 284 HB3 ASP 43 2HB ASP 43 11.492 -3.615 1.361 285 H SER 44 H SER 44 11.931 -0.979 3.023 286 HA SER 44 HA SER 44 9.109 -0.360 3.009 287 HB3 SER 44 2HB SER 44 9.231 -0.246 5.297 288 HG SER 44 HG SER 44 11.053 -0.211 6.240 289 H ILE 45 H ILE 45 8.571 1.718 2.184 290 HA ILE 45 HA ILE 45 10.518 3.513 1.105 291 HB ILE 45 HB ILE 45 10.722 1.745 -0.578 292 HG13 ILE 45 2HG1 ILE 45 10.749 4.170 -1.226 293 HG21 ILE 45 1HG2 ILE 45 8.938 0.861 -1.900 294 HG22 ILE 45 2HG2 ILE 45 8.375 0.726 -0.234 295 HG23 ILE 45 3HG2 ILE 45 7.770 2.036 -1.257 296 HD11 ILE 45 3HD1 ILE 45 9.524 2.539 -3.470 297 HD12 ILE 45 1HD1 ILE 45 10.699 3.871 -3.571 298 HD13 ILE 45 2HD1 ILE 45 11.205 2.302 -2.910 299 H ASP 46 H ASP 46 9.559 5.392 0.598 300 HA ASP 46 HA ASP 46 6.652 5.726 1.007 301 HB3 ASP 46 2HB ASP 46 7.518 6.746 2.945 302 H PHE 47 H PHE 47 5.689 6.994 -0.470 303 HA PHE 47 HA PHE 47 7.374 8.667 -2.195 304 HB3 PHE 47 2HB PHE 47 7.425 6.902 -3.642 305 HD1 PHE 47 2HD PHE 47 3.778 7.053 -4.063 306 HD2 PHE 47 1HD PHE 47 7.078 4.699 -2.628 307 HE1 PHE 47 2HE PHE 47 2.340 5.043 -4.107 308 HE2 PHE 47 1HE PHE 47 5.618 2.673 -2.610 309 HZ PHE 47 HZ PHE 47 3.248 2.839 -3.386 310 H SER 48 H SER 48 6.339 10.355 -3.229 311 HA SER 48 HA SER 48 4.011 11.497 -1.993 312 HB3 SER 48 2HB SER 48 5.440 12.205 -4.610 313 HG SER 48 HG SER 48 3.970 13.705 -4.644 314 H SER 49 H SER 49 2.209 12.327 -3.652 315 HA SER 49 HA SER 49 1.419 10.263 -5.562 316 HB3 SER 49 2HB SER 49 0.301 10.185 -3.231 317 HG SER 49 HG SER 49 -1.246 11.709 -2.917 318 H ASP 50 H ASP 50 -0.595 11.483 -6.710 319 HA ASP 50 HA ASP 50 0.290 14.198 -7.579 320 HB3 ASP 50 2HB ASP 50 -1.449 12.342 -9.172 321 H ALA 51 H ALA 51 -1.672 13.227 -5.307 322 HA ALA 51 HA ALA 51 -4.015 14.876 -6.074 323 HB1 ALA 51 1HB ALA 51 -4.238 12.007 -5.048 324 HB2 ALA 51 2HB ALA 51 -5.582 13.129 -5.327 325 HB3 ALA 51 3HB ALA 51 -4.625 12.549 -6.701 326 H GLY 52 H GLY 52 -4.602 16.173 -4.367 327 HA2 GLY 52 1HA GLY 52 -3.108 15.967 -1.886 328 HA3 GLY 52 2HA GLY 52 -4.247 17.227 -2.357 329 H SER 53 H SER 53 -6.029 14.440 -2.850 330 HA SER 53 HA SER 53 -6.428 13.771 -0.073 331 HB3 SER 53 2HB SER 53 -8.576 15.056 -1.746 332 HG SER 53 HG SER 53 -9.909 14.630 0.164 333 H VAL 54 H VAL 54 -7.621 11.920 0.163 334 HA VAL 54 HA VAL 54 -8.020 10.054 -2.051 335 HB VAL 54 HB VAL 54 -5.897 9.571 0.112 336 HG11 VAL 54 1HG1 VAL 54 -7.006 7.452 -0.260 337 HG12 VAL 54 2HG1 VAL 54 -7.043 7.696 -2.014 338 HG13 VAL 54 3HG1 VAL 54 -5.520 7.392 -1.196 339 HG21 VAL 54 3HG2 VAL 54 -5.704 9.859 -2.887 340 HG22 VAL 54 1HG2 VAL 54 -4.962 10.922 -1.693 341 HG23 VAL 54 2HG2 VAL 54 -4.360 9.276 -1.861 342 H TYR 55 H TYR 55 -9.488 8.551 -1.436 343 HA TYR 55 HA TYR 55 -10.028 7.993 1.397 344 HB3 TYR 55 2HB TYR 55 -11.639 9.488 1.198 345 HD1 TYR 55 1HD TYR 55 -11.714 7.714 -2.151 346 HD2 TYR 55 2HD TYR 55 -13.010 11.138 0.145 347 HE1 TYR 55 1HE TYR 55 -12.408 8.833 -4.218 348 HE2 TYR 55 2HE TYR 55 -13.789 12.226 -1.903 349 HH TYR 55 HH TYR 55 -14.086 11.994 -4.211 350 H LYS 56 H LYS 56 -8.832 6.630 -1.310 351 HA LYS 56 HA LYS 56 -10.100 4.044 -0.838 352 HB3 LYS 56 2HB LYS 56 -11.580 5.025 -2.543 353 HG3 LYS 56 2HG LYS 56 -9.196 5.142 -4.450 354 HD3 LYS 56 2HD LYS 56 -10.698 6.562 -5.808 355 HE3 LYS 56 2HE LYS 56 -12.079 3.961 -5.013 356 HZ1 LYS 56 3HZ LYS 56 -13.230 5.795 -6.492 357 HZ2 LYS 56 1HZ LYS 56 -13.369 4.191 -6.835 358 HZ3 LYS 56 2HZ LYS 56 -12.325 5.101 -7.681 359 H MET 57 H MET 57 -8.758 2.316 -1.714 360 HA MET 57 HA MET 57 -6.300 3.082 -3.038 361 HB3 MET 57 2HB MET 57 -6.191 1.853 -0.273 362 HG3 MET 57 2HG MET 57 -4.412 1.002 -1.786 363 HE1 MET 57 3HE MET 57 -3.659 4.846 -0.867 364 HE2 MET 57 1HE MET 57 -2.286 3.785 -0.466 365 HE3 MET 57 2HE MET 57 -2.134 4.978 -1.759 366 H ASP 58 H ASP 58 -5.674 1.392 -4.348 367 HA ASP 58 HA ASP 58 -6.635 -1.372 -3.739 368 HB3 ASP 58 2HB ASP 58 -6.599 -1.798 -6.184 369 H VAL 59 H VAL 59 -4.803 -2.283 -3.043 370 HA VAL 59 HA VAL 59 -2.183 -1.836 -4.341 371 HB VAL 59 HB VAL 59 -2.960 -3.910 -2.237 372 HG11 VAL 59 1HG1 VAL 59 -0.510 -3.868 -1.735 373 HG12 VAL 59 2HG1 VAL 59 -0.859 -4.445 -3.365 374 HG13 VAL 59 3HG1 VAL 59 -0.263 -2.790 -3.135 375 HG21 VAL 59 3HG2 VAL 59 -1.974 -1.057 -1.906 376 HG22 VAL 59 1HG2 VAL 59 -3.446 -1.808 -1.216 377 HG23 VAL 59 2HG2 VAL 59 -1.850 -2.278 -0.623 378 H THR 60 H THR 60 -1.241 -3.410 -5.724 379 HA THR 60 HA THR 60 -2.477 -5.987 -6.130 380 HB THR 60 HB THR 60 -3.879 -5.187 -7.697 381 HG1 THR 60 1HG THR 60 -2.345 -6.467 -8.772 382 HG21 THR 60 3HG2 THR 60 -3.520 -3.240 -9.208 383 HG22 THR 60 1HG2 THR 60 -2.082 -2.843 -8.190 384 HG23 THR 60 2HG2 THR 60 -3.716 -2.908 -7.480 385 H GLY 61 H GLY 61 -0.723 -7.202 -5.926 386 HA2 GLY 61 1HA GLY 61 1.795 -6.464 -7.315 387 HA3 GLY 61 2HA GLY 61 1.848 -6.530 -5.544 388 H THR 62 H THR 62 3.571 -8.179 -6.705 389 HA THR 62 HA THR 62 2.375 -10.851 -6.380 390 HB THR 62 HB THR 62 4.400 -10.397 -8.554 391 HG1 THR 62 1HG THR 62 3.009 -9.742 -9.997 392 HG21 THR 62 3HG2 THR 62 3.340 -12.321 -9.525 393 HG22 THR 62 1HG2 THR 62 2.004 -12.280 -8.344 394 HG23 THR 62 2HG2 THR 62 3.650 -12.647 -7.802 395 H THR 63 H THR 63 3.609 -12.200 -5.219 396 HA THR 63 HA THR 63 6.055 -11.385 -3.929 397 HB THR 63 HB THR 63 5.912 -13.397 -2.744 398 HG1 THR 63 1HG THR 63 4.625 -15.085 -3.364 399 HG21 THR 63 3HG2 THR 63 3.732 -13.488 -1.859 400 HG22 THR 63 1HG2 THR 63 2.969 -12.875 -3.315 401 HG23 THR 63 2HG2 THR 63 3.977 -11.794 -2.314 402 H GLN 64 H GLN 64 7.969 -12.865 -3.857 403 HA GLN 64 HA GLN 64 9.275 -13.253 -6.305 404 HB3 GLN 64 2HB GLN 64 9.710 -14.598 -3.632 405 HG3 GLN 64 2HG GLN 64 12.159 -14.123 -4.635 406 HE21 GLN 64 1HE2 GLN 64 11.858 -15.809 -2.910 407 HE22 GLN 64 2HE2 GLN 64 11.574 -17.458 -3.437 408 H SER 65 H SER 65 7.065 -15.503 -4.593 409 HA SER 65 HA SER 65 7.624 -17.748 -6.324 410 HB3 SER 65 2HB SER 65 5.389 -18.518 -5.382 411 HG SER 65 HG SER 65 6.208 -18.714 -3.266 412 H GLY 66 H GLY 66 5.971 -14.762 -6.991 413 HA2 GLY 66 1HA GLY 66 4.712 -14.240 -8.854 414 HA3 GLY 66 2HA GLY 66 4.676 -15.932 -9.345 415 H GLU 67 H GLU 67 3.770 -15.238 -5.993 416 HA GLU 67 HA GLU 67 0.927 -15.842 -6.617 417 HB3 GLU 67 2HB GLU 67 0.929 -15.502 -3.968 418 HG3 GLU 67 2HG GLU 67 1.763 -17.907 -5.459 419 H LYS 68 H LYS 68 -0.585 -14.387 -6.478 420 HA LYS 68 HA LYS 68 0.415 -11.647 -6.606 421 HB3 LYS 68 2HB LYS 68 -0.851 -12.935 -8.430 422 HG3 LYS 68 2HG LYS 68 -3.218 -12.209 -6.629 423 HD3 LYS 68 2HD LYS 68 -4.525 -13.325 -8.431 424 HE3 LYS 68 2HE LYS 68 -2.953 -10.859 -9.275 425 HZ1 LYS 68 3HZ LYS 68 -4.893 -10.342 -10.533 426 HZ2 LYS 68 1HZ LYS 68 -5.658 -11.715 -10.041 427 HZ3 LYS 68 2HZ LYS 68 -4.306 -11.798 -11.025 428 H PHE 69 H PHE 69 -0.755 -10.023 -5.484 429 HA PHE 69 HA PHE 69 -2.706 -10.857 -3.440 430 HB3 PHE 69 2HB PHE 69 -0.680 -10.960 -2.220 431 HD1 PHE 69 1HD PHE 69 1.491 -10.787 -3.429 432 HD2 PHE 69 2HD PHE 69 -0.673 -7.297 -2.138 433 HE1 PHE 69 1HE PHE 69 3.551 -9.423 -3.620 434 HE2 PHE 69 2HE PHE 69 1.385 -5.936 -2.331 435 HZ PHE 69 HZ PHE 69 3.522 -6.992 -3.076 436 H THR 70 H THR 70 -4.410 -9.430 -3.437 437 HA THR 70 HA THR 70 -3.838 -6.670 -4.370 438 HB THR 70 HB THR 70 -6.286 -6.521 -4.874 439 HG1 THR 70 1HG THR 70 -6.770 -8.717 -3.814 440 HG21 THR 70 3HG2 THR 70 -6.109 -7.475 -7.064 441 HG22 THR 70 1HG2 THR 70 -4.762 -8.543 -6.565 442 HG23 THR 70 2HG2 THR 70 -4.551 -6.782 -6.605 443 H GLY 71 H GLY 71 -5.145 -5.020 -3.325 444 HA2 GLY 71 1HA GLY 71 -6.130 -5.621 -0.566 445 HA3 GLY 71 2HA GLY 71 -4.779 -4.497 -0.751 446 H HIS 72 H HIS 72 -8.225 -5.033 -1.475 447 HA HIS 72 HA HIS 72 -8.479 -2.344 -2.696 448 HB3 HIS 72 2HB HIS 72 -10.780 -3.099 -3.194 449 HD1 HIS 72 1HD HIS 72 -9.651 -2.691 -5.634 450 HD2 HIS 72 2HD HIS 72 -8.979 -6.450 -3.800 451 HE1 HIS 72 1HE HIS 72 -8.624 -4.197 -7.405 452 H PHE 73 H PHE 73 -9.078 -0.674 -1.482 453 HA PHE 73 HA PHE 73 -10.508 -1.037 1.106 454 HB3 PHE 73 2HB PHE 73 -8.972 0.587 2.089 455 HD1 PHE 73 1HD PHE 73 -8.967 -1.772 3.145 456 HD2 PHE 73 2HD PHE 73 -6.257 -0.580 0.023 457 HE1 PHE 73 1HE PHE 73 -7.382 -3.613 3.779 458 HE2 PHE 73 2HE PHE 73 -4.714 -2.419 0.646 459 HZ PHE 73 HZ PHE 73 -5.305 -3.942 2.538 460 H LYS 74 H LYS 74 -11.626 0.842 1.832 461 HA LYS 74 HA LYS 74 -11.943 3.134 0.003 462 HB3 LYS 74 2HB LYS 74 -14.445 3.072 0.369 463 HG3 LYS 74 2HG LYS 74 -13.821 0.583 -1.172 464 HD3 LYS 74 2HD LYS 74 -15.333 3.124 -1.894 465 HE3 LYS 74 2HE LYS 74 -14.758 1.239 -3.634 466 HZ1 LYS 74 3HZ LYS 74 -15.683 -0.542 -2.200 467 HZ2 LYS 74 1HZ LYS 74 -16.430 -0.484 -3.644 468 HZ3 LYS 74 2HZ LYS 74 -17.181 0.158 -2.324 469 H GLY 75 H GLY 75 -13.395 4.762 1.123 470 HA2 GLY 75 1HA GLY 75 -13.641 6.328 2.685 471 HA3 GLY 75 2HA GLY 75 -14.161 4.991 3.681 472 H LEU 76 H LEU 76 -11.036 5.866 2.337 473 HA LEU 76 HA LEU 76 -9.614 5.522 4.885 474 HB3 LEU 76 2HB LEU 76 -7.653 6.347 3.511 475 HG LEU 76 HG LEU 76 -9.261 4.152 2.118 476 HD11 LEU 76 1HD1 LEU 76 -7.176 3.469 1.121 477 HD12 LEU 76 2HD1 LEU 76 -6.295 4.793 1.921 478 HD13 LEU 76 3HD1 LEU 76 -7.502 5.157 0.681 479 HD21 LEU 76 3HD2 LEU 76 -6.943 3.841 4.083 480 HD22 LEU 76 1HD2 LEU 76 -7.887 2.555 3.315 481 HD23 LEU 76 2HD2 LEU 76 -8.651 3.603 4.495 482 H VAL 77 H VAL 77 -8.481 7.236 5.960 483 HA VAL 77 HA VAL 77 -9.890 9.865 5.819 484 HB VAL 77 HB VAL 77 -9.382 9.876 8.305 485 HG11 VAL 77 1HG1 VAL 77 -11.277 8.451 8.888 486 HG12 VAL 77 2HG1 VAL 77 -11.617 9.347 7.401 487 HG13 VAL 77 3HG1 VAL 77 -11.193 7.626 7.321 488 HG21 VAL 77 3HG2 VAL 77 -8.909 6.874 8.017 489 HG22 VAL 77 1HG2 VAL 77 -7.599 8.047 8.214 490 HG23 VAL 77 2HG2 VAL 77 -8.815 7.871 9.470 491 H GLY 78 H GLY 78 -8.604 11.664 6.910 492 HA2 GLY 78 1HA GLY 78 -6.790 13.020 7.085 493 HA3 GLY 78 2HA GLY 78 -5.850 11.567 7.401 494 H LYS 79 H LYS 79 -4.077 12.686 6.293 495 HA LYS 79 HA LYS 79 -4.297 12.768 3.314 496 HB3 LYS 79 2HB LYS 79 -2.603 14.810 4.738 497 HG3 LYS 79 2HG LYS 79 -4.279 14.815 2.167 498 HD3 LYS 79 2HD LYS 79 -3.852 17.085 3.356 499 HE3 LYS 79 2HE LYS 79 -1.119 16.708 2.034 500 HZ1 LYS 79 3HZ LYS 79 -2.251 18.848 3.717 501 HZ2 LYS 79 1HZ LYS 79 -1.646 18.936 2.175 502 HZ3 LYS 79 2HZ LYS 79 -0.627 18.658 3.427 503 H ASP 80 H ASP 80 -3.057 10.726 5.288 504 HA ASP 80 HA ASP 80 -0.906 10.275 3.356 505 HB3 ASP 80 2HB ASP 80 0.333 11.194 5.267 506 H THR 81 H THR 81 -0.064 7.905 3.545 507 HA THR 81 HA THR 81 -2.055 6.068 4.659 508 HB THR 81 HB THR 81 -1.081 5.494 1.867 509 HG1 THR 81 1HG THR 81 -3.467 6.857 1.925 510 HG21 THR 81 3HG2 THR 81 -3.749 5.161 3.299 511 HG22 THR 81 1HG2 THR 81 -2.503 3.906 3.111 512 HG23 THR 81 2HG2 THR 81 -3.353 4.523 1.681 513 H ARG 82 H ARG 82 -1.172 3.996 5.129 514 HA ARG 82 HA ARG 82 1.587 3.377 4.262 515 HB3 ARG 82 2HB ARG 82 1.935 2.133 6.348 516 HG3 ARG 82 2HG ARG 82 0.971 4.917 7.101 517 HD3 ARG 82 2HD ARG 82 3.245 4.377 8.513 518 HE ARG 82 HE ARG 82 1.104 3.461 10.100 519 HH11 ARG 82 1HH1 ARG 82 2.291 6.368 8.468 520 HH12 ARG 82 2HH1 ARG 82 1.338 7.482 9.376 521 HH21 ARG 82 1HH2 ARG 82 -0.073 4.920 11.458 522 HH22 ARG 82 2HH2 ARG 82 0.114 6.629 11.279 523 H VAL 83 H VAL 83 1.849 0.910 4.409 524 HA VAL 83 HA VAL 83 -0.635 -0.620 3.911 525 HB VAL 83 HB VAL 83 1.842 -0.806 2.180 526 HG11 VAL 83 1HG1 VAL 83 0.404 -2.817 2.291 527 HG12 VAL 83 2HG1 VAL 83 -1.002 -1.841 1.819 528 HG13 VAL 83 3HG1 VAL 83 0.343 -2.085 0.683 529 HG21 VAL 83 3HG2 VAL 83 -0.692 0.759 1.589 530 HG22 VAL 83 1HG2 VAL 83 0.947 1.402 1.675 531 HG23 VAL 83 2HG2 VAL 83 0.515 0.302 0.372 532 H PHE 84 H PHE 84 -0.533 -2.376 5.229 533 HA PHE 84 HA PHE 84 2.160 -3.293 6.172 534 HB3 PHE 84 2HB PHE 84 0.902 -4.389 7.991 535 HD1 PHE 84 1HD PHE 84 2.471 -1.583 7.355 536 HD2 PHE 84 2HD PHE 84 -0.898 -2.744 9.774 537 HE1 PHE 84 1HE PHE 84 2.875 0.334 8.837 538 HE2 PHE 84 2HE PHE 84 -0.473 -0.867 11.267 539 HZ PHE 84 HZ PHE 84 1.410 0.720 10.811 540 H ILE 85 H ILE 85 2.705 -4.605 4.534 541 HA ILE 85 HA ILE 85 0.879 -6.643 3.416 542 HB ILE 85 HB ILE 85 3.864 -6.160 3.073 543 HG13 ILE 85 2HG1 ILE 85 2.406 -4.363 2.063 544 HG21 ILE 85 1HG2 ILE 85 4.032 -8.168 2.116 545 HG22 ILE 85 2HG2 ILE 85 2.304 -8.502 2.460 546 HG23 ILE 85 3HG2 ILE 85 2.783 -7.761 0.927 547 HD11 ILE 85 3HD1 ILE 85 3.814 -6.031 -0.059 548 HD12 ILE 85 1HD1 ILE 85 3.385 -4.318 -0.137 549 HD13 ILE 85 2HD1 ILE 85 4.601 -4.870 1.028 550 H GLU 86 H GLU 86 0.543 -8.462 4.639 551 HA GLU 86 HA GLU 86 2.581 -9.629 6.329 552 HB3 GLU 86 2HB GLU 86 1.708 -8.007 7.885 553 HG3 GLU 86 2HG GLU 86 -1.096 -9.047 7.327 554 H LEU 87 H LEU 87 1.468 -11.697 7.319 555 HA LEU 87 HA LEU 87 -0.323 -12.900 5.251 556 HB3 LEU 87 2HB LEU 87 0.641 -15.030 5.696 557 HG LEU 87 HG LEU 87 2.998 -13.114 5.632 558 HD11 LEU 87 1HD1 LEU 87 4.300 -15.008 4.828 559 HD12 LEU 87 2HD1 LEU 87 2.888 -16.076 4.944 560 HD13 LEU 87 3HD1 LEU 87 3.615 -15.380 6.414 561 HD21 LEU 87 3HD2 LEU 87 1.562 -14.577 3.383 562 HD22 LEU 87 1HD2 LEU 87 3.050 -13.623 3.219 563 HD23 LEU 87 2HD2 LEU 87 1.530 -12.829 3.675 564 H ASP 88 H ASP 88 -1.895 -14.465 6.039 565 HA ASP 88 HA ASP 88 -2.286 -14.903 8.839 566 HB3 ASP 88 2HB ASP 88 -4.626 -13.490 7.539 567 H GLU 89 H GLU 89 -4.868 -15.849 8.766 568 HA GLU 89 HA GLU 89 -6.170 -17.558 8.367 569 HB3 GLU 89 2HB GLU 89 -6.809 -17.982 5.984 570 HG3 GLU 89 2HG GLU 89 -7.431 -15.629 5.397 571 H ASN 90 H ASN 90 -3.507 -18.126 6.073 572 HA ASN 90 HA ASN 90 -2.933 -20.775 7.207 573 HB3 ASN 90 2HB ASN 90 -3.097 -21.966 5.086 574 HD21 ASN 90 1HD2 ASN 90 -5.915 -20.107 4.391 575 HD22 ASN 90 2HD2 ASN 90 -7.045 -21.015 5.375 576 H ALA 91 H ALA 91 -1.559 -18.246 7.180 577 HA ALA 91 HA ALA 91 0.169 -17.041 6.534 578 HB1 ALA 91 1HB ALA 91 2.273 -18.136 6.006 579 HB2 ALA 91 2HB ALA 91 1.444 -18.975 7.336 580 HB3 ALA 91 3HB ALA 91 1.422 -19.668 5.689 581 H ASP 92 H ASP 92 -1.911 -17.028 4.823 582 HA ASP 92 HA ASP 92 -0.953 -17.278 2.000 583 HB3 ASP 92 2HB ASP 92 -3.587 -15.932 2.608 584 H VAL 93 H VAL 93 -1.550 -15.318 0.673 585 HA VAL 93 HA VAL 93 -0.395 -13.048 2.174 586 HB VAL 93 HB VAL 93 -0.652 -13.113 -0.859 587 HG11 VAL 93 1HG1 VAL 93 -0.298 -10.904 0.174 588 HG12 VAL 93 2HG1 VAL 93 1.077 -11.523 1.111 589 HG13 VAL 93 3HG1 VAL 93 1.173 -11.414 -0.670 590 HG21 VAL 93 3HG2 VAL 93 1.544 -14.174 0.958 591 HG22 VAL 93 1HG2 VAL 93 0.757 -14.997 -0.396 592 HG23 VAL 93 2HG2 VAL 93 1.876 -13.653 -0.694 593 H GLN 94 H GLN 94 -1.542 -11.427 2.887 594 HA GLN 94 HA GLN 94 -3.832 -10.450 1.339 595 HB3 GLN 94 2HB GLN 94 -5.182 -11.372 2.886 596 HG3 GLN 94 2HG GLN 94 -4.345 -10.933 5.518 597 HE21 GLN 94 1HE2 GLN 94 -2.794 -13.844 4.265 598 HE22 GLN 94 2HE2 GLN 94 -4.145 -14.868 4.676 599 H VAL 95 H VAL 95 -4.391 -8.151 2.443 600 HA VAL 95 HA VAL 95 -1.829 -6.737 2.923 601 HB VAL 95 HB VAL 95 -4.130 -5.807 1.134 602 HG11 VAL 95 1HG1 VAL 95 -2.709 -3.872 0.645 603 HG12 VAL 95 2HG1 VAL 95 -3.008 -3.945 2.384 604 HG13 VAL 95 3HG1 VAL 95 -1.445 -4.484 1.742 605 HG21 VAL 95 3HG2 VAL 95 -1.266 -6.409 0.291 606 HG22 VAL 95 1HG2 VAL 95 -2.639 -7.493 -0.016 607 HG23 VAL 95 2HG2 VAL 95 -2.602 -5.888 -0.746 608 H PHE 96 H PHE 96 -1.994 -5.469 4.695 609 HA PHE 96 HA PHE 96 -4.668 -4.854 5.810 610 HB3 PHE 96 2HB PHE 96 -2.075 -5.301 7.329 611 HD1 PHE 96 2HD PHE 96 -5.627 -6.466 7.718 612 HD2 PHE 96 1HD PHE 96 -2.572 -3.837 9.215 613 HE1 PHE 96 2HE PHE 96 -7.125 -5.778 9.569 614 HE2 PHE 96 1HE PHE 96 -4.067 -3.165 11.098 615 HZ PHE 96 HZ PHE 96 -6.352 -4.131 11.255 616 H ILE 97 H ILE 97 -4.509 -2.893 7.309 617 HA ILE 97 HA ILE 97 -2.403 -1.027 6.670 618 HB ILE 97 HB ILE 97 -4.298 0.760 6.233 619 HG13 ILE 97 2HG1 ILE 97 -6.231 -0.854 6.409 620 HG21 ILE 97 1HG2 ILE 97 -3.572 -1.004 3.886 621 HG22 ILE 97 2HG2 ILE 97 -3.775 0.775 3.959 622 HG23 ILE 97 3HG2 ILE 97 -2.405 0.009 4.752 623 HD11 ILE 97 3HD1 ILE 97 -5.981 0.290 3.595 624 HD12 ILE 97 1HD1 ILE 97 -7.461 0.055 4.537 625 HD13 ILE 97 2HD1 ILE 97 -6.300 1.306 5.019 626 HA PRO 98 HA PRO 98 -3.530 0.130 10.802 627 HB3 PRO 98 2HB PRO 98 -1.513 1.193 11.089 628 HG3 PRO 98 2HG PRO 98 -0.376 2.135 9.248 629 HD3 PRO 98 2HD PRO 98 -0.951 0.077 8.254 630 H GLN 99 H GLN 99 -5.663 0.562 11.144 631 HA GLN 99 HA GLN 99 -6.945 2.973 9.983 632 HB3 GLN 99 2HB GLN 99 -8.984 1.485 9.630 633 HG3 GLN 99 2HG GLN 99 -8.201 0.272 7.602 634 HE21 GLN 99 1HE2 GLN 99 -6.003 3.073 7.691 635 HE22 GLN 99 2HE2 GLN 99 -7.122 4.169 6.876 636 H GLY 100 H GLY 100 -9.326 2.940 11.130 637 HA2 GLY 100 1HA GLY 100 -9.953 1.766 13.444 638 HA3 GLY 100 2HA GLY 100 -8.934 3.082 14.009 639 H GLU 101 H GLU 101 -9.590 5.043 12.149 640 HA GLU 101 HA GLU 101 -12.191 6.004 13.000 641 HB3 GLU 101 2HB GLU 101 -11.434 7.927 11.406 642 HG3 GLU 101 2HG GLU 101 -10.169 7.045 13.954 643 H ILE 102 H ILE 102 -12.780 3.608 11.755 644 HA ILE 102 HA ILE 102 -13.830 4.296 9.095 645 HB ILE 102 HB ILE 102 -11.947 3.075 8.557 646 HG13 ILE 102 2HG1 ILE 102 -14.280 2.299 7.726 647 HG21 ILE 102 1HG2 ILE 102 -12.573 0.950 10.643 648 HG22 ILE 102 2HG2 ILE 102 -11.242 0.917 9.496 649 HG23 ILE 102 3HG2 ILE 102 -11.274 2.143 10.757 650 HD11 ILE 102 3HD1 ILE 102 -11.971 0.340 7.402 651 HD12 ILE 102 1HD1 ILE 102 -13.363 0.533 6.325 652 HD13 ILE 102 2HD1 ILE 102 -12.175 1.841 6.469 653 H ASP 103 H ASP 103 -15.832 4.467 9.457 654 HA ASP 103 HA ASP 103 -17.405 2.342 10.806 655 HB3 ASP 103 2HB ASP 103 -17.845 4.859 11.375 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -0.906 28.088 -10.444 2 HA2 GLY 1 1HA GLY 1 0.122 27.162 -8.348 3 HA3 GLY 1 2HA GLY 1 1.004 28.524 -9.065 4 H ALA 2 H ALA 2 -0.566 27.403 -6.226 5 HA ALA 2 HA ALA 2 -0.961 29.950 -4.927 6 HB1 ALA 2 1HB ALA 2 -1.146 28.548 -2.915 7 HB2 ALA 2 2HB ALA 2 -2.036 27.786 -4.239 8 HB3 ALA 2 3HB ALA 2 -0.440 27.164 -3.774 9 H GLN 3 H GLN 3 0.418 30.101 -2.695 10 HA GLN 3 HA GLN 3 3.291 29.583 -3.245 11 HB3 GLN 3 2HB GLN 3 2.310 31.978 -1.670 12 HG3 GLN 3 2HG GLN 3 4.936 31.290 -3.077 13 HE21 GLN 3 1HE2 GLN 3 6.686 33.027 -2.954 14 HE22 GLN 3 2HE2 GLN 3 6.095 34.670 -2.848 15 H ASP 4 H ASP 4 0.895 28.219 -1.786 16 HA ASP 4 HA ASP 4 2.481 27.357 0.525 17 HB3 ASP 4 2HB ASP 4 -0.392 28.205 1.006 18 H GLY 5 H GLY 5 1.532 26.250 -2.120 19 HA2 GLY 5 1HA GLY 5 -0.681 24.409 -1.558 20 HA3 GLY 5 2HA GLY 5 0.280 24.525 -3.039 21 H LYS 6 H LYS 6 0.434 23.407 0.351 22 HA LYS 6 HA LYS 6 2.051 21.052 -0.455 23 HB3 LYS 6 2HB LYS 6 3.733 22.707 0.009 24 HG3 LYS 6 2HG LYS 6 1.968 23.536 2.231 25 HD3 LYS 6 2HD LYS 6 4.964 23.406 2.729 26 HE3 LYS 6 2HE LYS 6 2.557 24.162 4.453 27 HZ1 LYS 6 3HZ LYS 6 4.563 23.254 5.609 28 HZ2 LYS 6 1HZ LYS 6 4.120 24.807 6.050 29 HZ3 LYS 6 2HZ LYS 6 5.414 24.547 5.056 30 H GLU 7 H GLU 7 -0.259 20.352 -0.043 31 HA GLU 7 HA GLU 7 -0.586 19.597 2.822 32 HB3 GLU 7 2HB GLU 7 -2.848 20.689 1.124 33 HG3 GLU 7 2HG GLU 7 -3.190 19.543 3.490 34 H THR 8 H THR 8 0.439 17.983 0.743 35 HA THR 8 HA THR 8 -1.747 16.303 -0.237 36 HB THR 8 HB THR 8 0.277 14.992 -1.194 37 HG1 THR 8 1HG THR 8 1.885 16.076 0.103 38 HG21 THR 8 3HG2 THR 8 0.438 16.510 -3.094 39 HG22 THR 8 1HG2 THR 8 -0.161 17.858 -2.106 40 HG23 THR 8 2HG2 THR 8 -1.229 16.501 -2.505 41 H THR 9 H THR 9 -1.464 13.845 -0.097 42 HA THR 9 HA THR 9 -1.019 13.084 2.682 43 HB THR 9 HB THR 9 -1.668 10.805 1.775 44 HG1 THR 9 1HG THR 9 -2.372 10.614 -0.187 45 HG21 THR 9 3HG2 THR 9 -3.129 12.396 2.905 46 HG22 THR 9 1HG2 THR 9 -3.964 11.331 1.770 47 HG23 THR 9 2HG2 THR 9 -3.623 13.039 1.322 48 H THR 10 H THR 10 0.035 10.704 2.733 49 HA THR 10 HA THR 10 2.324 10.604 1.038 50 HB THR 10 HB THR 10 2.517 10.185 4.051 51 HG1 THR 10 1HG THR 10 2.249 12.407 3.618 52 HG21 THR 10 3HG2 THR 10 5.025 10.406 3.669 53 HG22 THR 10 1HG2 THR 10 4.678 10.267 1.938 54 HG23 THR 10 2HG2 THR 10 4.272 8.941 3.069 55 H ILE 11 H ILE 11 3.301 8.199 1.281 56 HA ILE 11 HA ILE 11 1.298 6.259 2.276 57 HB ILE 11 HB ILE 11 2.716 6.186 -0.432 58 HG13 ILE 11 2HG1 ILE 11 0.741 7.738 -0.333 59 HG21 ILE 11 1HG2 ILE 11 1.417 4.093 -0.840 60 HG22 ILE 11 2HG2 ILE 11 2.500 3.920 0.515 61 HG23 ILE 11 3HG2 ILE 11 0.762 4.179 0.808 62 HD11 ILE 11 3HD1 ILE 11 0.087 5.346 -2.053 63 HD12 ILE 11 1HD1 ILE 11 -0.519 7.001 -2.170 64 HD13 ILE 11 2HD1 ILE 11 1.194 6.687 -2.477 65 H ARG 12 H ARG 12 2.394 4.212 2.853 66 HA ARG 12 HA ARG 12 5.190 3.976 2.329 67 HB3 ARG 12 2HB ARG 12 4.468 3.816 5.270 68 HG3 ARG 12 2HG ARG 12 7.327 4.020 4.505 69 HD3 ARG 12 2HD ARG 12 7.520 1.999 5.973 70 HE ARG 12 HE ARG 12 7.200 4.495 6.954 71 HH11 ARG 12 1HH1 ARG 12 6.575 1.189 8.109 72 HH12 ARG 12 2HH1 ARG 12 6.617 1.643 9.774 73 HH21 ARG 12 1HH2 ARG 12 7.499 4.957 9.125 74 HH22 ARG 12 2HH2 ARG 12 7.302 3.744 10.358 75 H LEU 13 H LEU 13 5.479 2.022 1.664 76 HA LEU 13 HA LEU 13 3.499 -0.155 2.258 77 HB3 LEU 13 2HB LEU 13 5.068 -1.310 0.470 78 HG LEU 13 HG LEU 13 3.986 -0.034 -1.494 79 HD11 LEU 13 1HD1 LEU 13 2.162 -1.341 0.528 80 HD12 LEU 13 2HD1 LEU 13 3.155 -2.209 -0.635 81 HD13 LEU 13 3HD1 LEU 13 1.831 -1.158 -1.197 82 HD21 LEU 13 3HD2 LEU 13 3.406 2.026 -0.212 83 HD22 LEU 13 1HD2 LEU 13 2.219 1.102 0.722 84 HD23 LEU 13 2HD2 LEU 13 2.005 1.289 -1.021 85 H ILE 14 H ILE 14 4.108 -1.740 3.709 86 HA ILE 14 HA ILE 14 6.994 -2.171 4.223 87 HB ILE 14 HB ILE 14 4.729 -2.720 6.157 88 HG13 ILE 14 2HG1 ILE 14 6.503 -0.246 6.054 89 HG21 ILE 14 1HG2 ILE 14 6.893 -4.032 6.273 90 HG22 ILE 14 2HG2 ILE 14 7.741 -2.528 6.610 91 HG23 ILE 14 3HG2 ILE 14 6.505 -3.123 7.732 92 HD11 ILE 14 3HD1 ILE 14 4.236 0.728 6.977 93 HD12 ILE 14 1HD1 ILE 14 4.374 0.424 5.242 94 HD13 ILE 14 2HD1 ILE 14 3.510 -0.717 6.275 95 H ASN 15 H ASN 15 7.572 -4.080 3.282 96 HA ASN 15 HA ASN 15 5.662 -6.130 2.660 97 HB3 ASN 15 2HB ASN 15 8.663 -6.443 2.728 98 HD21 ASN 15 1HD2 ASN 15 9.334 -7.932 1.207 99 HD22 ASN 15 2HD2 ASN 15 8.209 -8.981 0.373 100 H GLN 16 H GLN 16 4.857 -6.429 5.004 101 HA GLN 16 HA GLN 16 6.723 -7.529 6.971 102 HB3 GLN 16 2HB GLN 16 4.700 -7.495 8.413 103 HG3 GLN 16 2HG GLN 16 4.934 -4.956 6.790 104 HE21 GLN 16 1HE2 GLN 16 4.485 -6.270 10.075 105 HE22 GLN 16 2HE2 GLN 16 3.600 -4.884 10.673 106 H THR 17 H THR 17 6.913 -9.213 4.909 107 HA THR 17 HA THR 17 5.534 -11.688 5.707 108 HB THR 17 HB THR 17 5.571 -11.940 3.010 109 HG1 THR 17 1HG THR 17 4.910 -9.219 3.354 110 HG21 THR 17 3HG2 THR 17 3.220 -11.360 3.002 111 HG22 THR 17 1HG2 THR 17 3.467 -10.370 4.447 112 HG23 THR 17 2HG2 THR 17 3.624 -12.125 4.547 113 H TYR 18 H TYR 18 6.398 -13.511 4.541 114 HA TYR 18 HA TYR 18 9.235 -13.735 5.018 115 HB3 TYR 18 2HB TYR 18 7.430 -15.361 5.694 116 HD1 TYR 18 1HD TYR 18 6.086 -14.705 2.848 117 HD2 TYR 18 2HD TYR 18 8.089 -18.152 4.489 118 HE1 TYR 18 1HE TYR 18 4.502 -16.219 1.671 119 HE2 TYR 18 2HE TYR 18 6.645 -19.630 3.148 120 HH TYR 18 HH TYR 18 3.954 -18.422 1.152 121 H PHE 19 H PHE 19 8.105 -12.358 2.353 122 HA PHE 19 HA PHE 19 9.842 -13.892 0.568 123 HB3 PHE 19 2HB PHE 19 7.743 -14.719 -0.029 124 HD1 PHE 19 1HD PHE 19 7.351 -10.962 -0.652 125 HD2 PHE 19 2HD PHE 19 5.515 -14.687 0.485 126 HE1 PHE 19 1HE PHE 19 5.259 -9.785 -0.176 127 HE2 PHE 19 2HE PHE 19 3.441 -13.478 1.032 128 HZ PHE 19 HZ PHE 19 3.287 -11.027 0.649 129 H ASN 20 H ASN 20 10.120 -12.616 -1.560 130 HA ASN 20 HA ASN 20 10.522 -9.680 -1.084 131 HB3 ASN 20 2HB ASN 20 11.666 -11.654 -3.110 132 HD21 ASN 20 1HD2 ASN 20 11.727 -10.599 -5.155 133 HD22 ASN 20 2HD2 ASN 20 12.343 -8.971 -5.322 134 H VAL 21 H VAL 21 9.632 -8.223 -2.738 135 HA VAL 21 HA VAL 21 7.795 -9.412 -4.761 136 HB VAL 21 HB VAL 21 6.222 -7.495 -4.322 137 HG11 VAL 21 1HG1 VAL 21 5.173 -8.537 -2.233 138 HG12 VAL 21 2HG1 VAL 21 5.413 -9.551 -3.649 139 HG13 VAL 21 3HG1 VAL 21 6.525 -9.675 -2.272 140 HG21 VAL 21 3HG2 VAL 21 7.668 -6.065 -2.926 141 HG22 VAL 21 1HG2 VAL 21 6.194 -6.513 -2.033 142 HG23 VAL 21 2HG2 VAL 21 7.719 -7.308 -1.665 143 H LYS 22 H LYS 22 7.740 -8.211 -6.703 144 HA LYS 22 HA LYS 22 9.842 -6.091 -6.944 145 HB3 LYS 22 2HB LYS 22 10.823 -8.266 -7.391 146 HG3 LYS 22 2HG LYS 22 10.015 -9.211 -9.782 147 HD3 LYS 22 2HD LYS 22 9.021 -9.975 -7.025 148 HE3 LYS 22 2HE LYS 22 7.174 -10.489 -8.566 149 HZ1 LYS 22 3HZ LYS 22 9.131 -12.244 -9.934 150 HZ2 LYS 22 1HZ LYS 22 8.445 -10.903 -10.626 151 HZ3 LYS 22 2HZ LYS 22 7.512 -12.175 -10.209 152 H ASN 23 H ASN 23 6.939 -5.795 -6.991 153 HA ASN 23 HA ASN 23 6.475 -4.266 -9.239 154 HB3 ASN 23 2HB ASN 23 6.557 -6.014 -10.809 155 HD21 ASN 23 1HD2 ASN 23 4.369 -7.226 -8.296 156 HD22 ASN 23 2HD2 ASN 23 4.970 -8.898 -8.351 157 H ILE 24 H ILE 24 5.804 -3.710 -6.760 158 HA ILE 24 HA ILE 24 3.015 -4.526 -6.211 159 HB ILE 24 HB ILE 24 4.621 -2.388 -4.757 160 HG13 ILE 24 2HG1 ILE 24 5.733 -4.787 -4.671 161 HG21 ILE 24 1HG2 ILE 24 2.198 -4.078 -3.950 162 HG22 ILE 24 2HG2 ILE 24 2.979 -2.862 -2.932 163 HG23 ILE 24 3HG2 ILE 24 2.169 -2.363 -4.411 164 HD11 ILE 24 3HD1 ILE 24 6.345 -4.339 -2.324 165 HD12 ILE 24 1HD1 ILE 24 6.443 -2.908 -3.339 166 HD13 ILE 24 2HD1 ILE 24 5.079 -3.125 -2.209 167 H LYS 25 H LYS 25 1.559 -3.533 -7.634 168 HA LYS 25 HA LYS 25 1.901 -0.634 -8.247 169 HB3 LYS 25 2HB LYS 25 -0.528 -1.298 -9.269 170 HG3 LYS 25 2HG LYS 25 0.644 -1.996 -11.435 171 HD3 LYS 25 2HD LYS 25 1.785 0.145 -11.828 172 HE3 LYS 25 2HE LYS 25 0.045 1.721 -11.273 173 HZ1 LYS 25 3HZ LYS 25 -1.352 -0.854 -11.675 174 HZ2 LYS 25 1HZ LYS 25 -0.566 -0.036 -12.882 175 HZ3 LYS 25 2HZ LYS 25 -1.887 0.597 -12.084 176 H VAL 26 H VAL 26 0.794 0.840 -6.998 177 HA VAL 26 HA VAL 26 -1.351 -0.155 -5.233 178 HB VAL 26 HB VAL 26 0.896 0.195 -4.049 179 HG11 VAL 26 1HG1 VAL 26 1.696 2.205 -5.207 180 HG12 VAL 26 2HG1 VAL 26 0.323 3.135 -4.552 181 HG13 VAL 26 3HG1 VAL 26 1.524 2.481 -3.467 182 HG21 VAL 26 3HG2 VAL 26 -0.048 1.424 -2.125 183 HG22 VAL 26 1HG2 VAL 26 -1.443 1.888 -3.115 184 HG23 VAL 26 2HG2 VAL 26 -1.142 0.183 -2.731 185 H THR 27 H THR 27 -3.058 1.345 -4.945 186 HA THR 27 HA THR 27 -2.945 3.885 -6.517 187 HB THR 27 HB THR 27 -5.454 2.243 -6.278 188 HG1 THR 27 1HG THR 27 -4.098 0.807 -7.106 189 HG21 THR 27 3HG2 THR 27 -5.581 4.557 -7.196 190 HG22 THR 27 1HG2 THR 27 -6.138 3.313 -8.317 191 HG23 THR 27 2HG2 THR 27 -4.561 4.058 -8.551 192 H TRP 28 H TRP 28 -4.325 5.562 -5.534 193 HA TRP 28 HA TRP 28 -5.454 4.965 -2.821 194 HB3 TRP 28 2HB TRP 28 -3.172 5.638 -2.427 195 HD1 TRP 28 HD TRP 28 -4.071 9.236 -3.216 196 HE1 TRP 28 1HE TRP 28 -2.237 10.278 -4.655 197 HE3 TRP 28 3HE TRP 28 -1.531 4.982 -4.448 198 HZ2 TRP 28 2HZ TRP 28 0.227 9.389 -5.957 199 HZ3 TRP 28 3HZ TRP 28 0.562 5.103 -5.778 200 HH2 TRP 28 HH TRP 28 1.460 7.335 -6.485 201 H ASN 29 H ASN 29 -6.490 5.558 -5.568 202 HA ASN 29 HA ASN 29 -8.370 7.603 -5.112 203 HB3 ASN 29 2HB ASN 29 -6.653 8.674 -7.275 204 HD21 ASN 29 1HD2 ASN 29 -7.129 9.482 -3.749 205 HD22 ASN 29 2HD2 ASN 29 -7.952 11.001 -4.134 206 H ASP 30 H ASP 30 -8.954 8.410 -7.668 207 HA ASP 30 HA ASP 30 -9.419 5.864 -9.090 208 HB3 ASP 30 2HB ASP 30 -11.082 7.492 -10.311 209 H GLY 31 H GLY 31 -7.523 5.571 -10.086 210 HA2 GLY 31 1HA GLY 31 -6.324 5.662 -12.077 211 HA3 GLY 31 2HA GLY 31 -7.113 7.176 -12.498 212 H LYS 32 H LYS 32 -5.415 6.838 -9.342 213 HA LYS 32 HA LYS 32 -2.964 7.949 -10.458 214 HB3 LYS 32 2HB LYS 32 -4.527 8.890 -8.034 215 HG3 LYS 32 2HG LYS 32 -2.169 8.518 -7.462 216 HD3 LYS 32 2HD LYS 32 -0.956 10.807 -8.546 217 HE3 LYS 32 2HE LYS 32 -0.352 8.056 -9.666 218 HZ1 LYS 32 3HZ LYS 32 1.857 8.943 -9.663 219 HZ2 LYS 32 1HZ LYS 32 1.385 10.338 -8.915 220 HZ3 LYS 32 2HZ LYS 32 0.900 10.014 -10.458 221 H GLU 33 H GLU 33 -1.959 6.098 -10.440 222 HA GLU 33 HA GLU 33 -1.581 4.639 -7.897 223 HB3 GLU 33 2HB GLU 33 -2.863 3.175 -9.366 224 HG3 GLU 33 2HG GLU 33 -1.815 2.503 -11.596 225 H GLN 34 H GLN 34 0.556 3.508 -7.837 226 HA GLN 34 HA GLN 34 2.529 4.240 -9.771 227 HB3 GLN 34 2HB GLN 34 2.478 6.199 -8.123 228 HG3 GLN 34 2HG GLN 34 2.830 4.505 -6.036 229 HE21 GLN 34 1HE2 GLN 34 4.479 3.120 -5.271 230 HE22 GLN 34 2HE2 GLN 34 6.180 3.390 -5.652 231 H THR 35 H THR 35 4.775 3.145 -9.028 232 HA THR 35 HA THR 35 4.155 0.726 -7.493 233 HB THR 35 HB THR 35 3.769 -0.099 -9.638 234 HG1 THR 35 1HG THR 35 6.489 -0.734 -9.155 235 HG21 THR 35 3HG2 THR 35 4.533 1.669 -11.057 236 HG22 THR 35 1HG2 THR 35 5.283 0.158 -11.577 237 HG23 THR 35 2HG2 THR 35 6.231 1.337 -10.630 238 H VAL 36 H VAL 36 5.892 -0.334 -6.596 239 HA VAL 36 HA VAL 36 8.250 1.345 -5.954 240 HB VAL 36 HB VAL 36 7.216 -1.358 -4.995 241 HG11 VAL 36 1HG1 VAL 36 9.626 0.224 -3.998 242 HG12 VAL 36 2HG1 VAL 36 8.907 -1.192 -3.192 243 HG13 VAL 36 3HG1 VAL 36 9.637 -1.386 -4.758 244 HG21 VAL 36 3HG2 VAL 36 7.273 1.364 -3.630 245 HG22 VAL 36 1HG2 VAL 36 5.826 0.490 -4.183 246 HG23 VAL 36 2HG2 VAL 36 6.790 -0.162 -2.858 247 H ASN 37 H ASN 37 10.407 0.336 -6.364 248 HA ASN 37 HA ASN 37 10.741 -1.144 -8.842 249 HB3 ASN 37 2HB ASN 37 12.581 -0.380 -6.535 250 HD21 ASN 37 1HD2 ASN 37 14.335 -1.705 -6.378 251 HD22 ASN 37 2HD2 ASN 37 15.118 -2.524 -7.693 252 H THR 38 H THR 38 12.151 -2.209 -5.688 253 HA THR 38 HA THR 38 10.517 -4.634 -5.684 254 HB THR 38 HB THR 38 13.570 -4.468 -5.723 255 HG1 THR 38 1HG THR 38 12.889 -4.917 -7.748 256 HG21 THR 38 3HG2 THR 38 12.916 -6.042 -3.908 257 HG22 THR 38 1HG2 THR 38 13.643 -6.856 -5.277 258 HG23 THR 38 2HG2 THR 38 11.871 -6.896 -5.081 259 H LEU 39 H LEU 39 10.572 -5.627 -3.530 260 HA LEU 39 HA LEU 39 11.369 -3.844 -1.341 261 HB3 LEU 39 2HB LEU 39 8.751 -5.263 -1.015 262 HG LEU 39 HG LEU 39 8.066 -3.411 0.229 263 HD11 LEU 39 1HD1 LEU 39 9.982 -4.894 1.144 264 HD12 LEU 39 2HD1 LEU 39 9.536 -3.374 1.922 265 HD13 LEU 39 3HD1 LEU 39 10.987 -3.465 0.884 266 HD21 LEU 39 3HD2 LEU 39 9.546 -1.402 0.597 267 HD22 LEU 39 1HD2 LEU 39 8.875 -1.493 -1.056 268 HD23 LEU 39 2HD2 LEU 39 10.576 -1.937 -0.724 269 H GLY 40 H GLY 40 12.660 -4.969 -0.127 270 HA2 GLY 40 1HA GLY 40 13.164 -7.769 -0.174 271 HA3 GLY 40 2HA GLY 40 13.695 -6.619 1.060 272 H SER 41 H SER 41 13.077 -9.168 2.091 273 HA SER 41 HA SER 41 10.278 -9.153 2.978 274 HB3 SER 41 2HB SER 41 11.049 -11.308 2.813 275 HG SER 41 HG SER 41 13.056 -11.755 4.221 276 H HIS 42 H HIS 42 9.524 -8.260 4.777 277 HA HIS 42 HA HIS 42 9.267 -6.912 6.463 278 HB3 HIS 42 2HB HIS 42 11.662 -6.811 7.951 279 HD1 HIS 42 1HD HIS 42 9.741 -6.116 9.724 280 HD2 HIS 42 2HD HIS 42 9.260 -9.858 7.822 281 HE1 HIS 42 1HE HIS 42 7.842 -7.282 10.919 282 H ASP 43 H ASP 43 11.131 -6.085 3.965 283 HA ASP 43 HA ASP 43 12.220 -3.596 4.929 284 HB3 ASP 43 2HB ASP 43 12.473 -3.186 2.392 285 H SER 44 H SER 44 11.671 -1.554 3.618 286 HA SER 44 HA SER 44 8.822 -1.205 3.223 287 HB3 SER 44 2HB SER 44 8.710 -1.001 5.566 288 HG SER 44 HG SER 44 10.071 0.325 6.756 289 H ILE 45 H ILE 45 8.244 0.845 2.322 290 HA ILE 45 HA ILE 45 10.333 2.800 1.848 291 HB ILE 45 HB ILE 45 10.635 1.183 -0.002 292 HG13 ILE 45 2HG1 ILE 45 11.278 3.482 -0.297 293 HG21 ILE 45 1HG2 ILE 45 8.991 0.783 -1.694 294 HG22 ILE 45 2HG2 ILE 45 8.158 0.519 -0.157 295 HG23 ILE 45 3HG2 ILE 45 7.906 2.029 -1.047 296 HD11 ILE 45 3HD1 ILE 45 11.385 3.603 -2.640 297 HD12 ILE 45 1HD1 ILE 45 11.298 1.862 -2.308 298 HD13 ILE 45 2HD1 ILE 45 9.852 2.739 -2.862 299 H ASP 46 H ASP 46 9.547 4.773 1.442 300 HA ASP 46 HA ASP 46 6.649 5.182 1.648 301 HB3 ASP 46 2HB ASP 46 7.489 6.025 3.683 302 H PHE 47 H PHE 47 5.820 6.802 0.425 303 HA PHE 47 HA PHE 47 7.546 8.296 -1.371 304 HB3 PHE 47 2HB PHE 47 7.380 6.684 -2.949 305 HD1 PHE 47 1HD PHE 47 7.105 4.480 -1.874 306 HD2 PHE 47 2HD PHE 47 3.745 6.802 -3.267 307 HE1 PHE 47 1HE PHE 47 5.661 2.469 -1.730 308 HE2 PHE 47 2HE PHE 47 2.323 4.772 -3.185 309 HZ PHE 47 HZ PHE 47 3.270 2.624 -2.344 310 H SER 48 H SER 48 6.348 9.986 -2.494 311 HA SER 48 HA SER 48 4.371 11.313 -0.811 312 HB3 SER 48 2HB SER 48 4.387 12.712 -3.013 313 HG SER 48 HG SER 48 6.701 12.519 -1.390 314 H SER 49 H SER 49 2.268 12.037 -1.892 315 HA SER 49 HA SER 49 1.367 10.388 -4.124 316 HB3 SER 49 2HB SER 49 0.183 9.171 -2.627 317 HG SER 49 HG SER 49 -0.410 11.142 -0.784 318 H ASP 50 H ASP 50 0.099 11.560 -5.521 319 HA ASP 50 HA ASP 50 0.437 14.423 -5.370 320 HB3 ASP 50 2HB ASP 50 -0.069 14.371 -7.724 321 H ALA 51 H ALA 51 -1.545 13.560 -3.489 322 HA ALA 51 HA ALA 51 -4.020 14.774 -4.523 323 HB1 ALA 51 1HB ALA 51 -4.249 12.332 -4.929 324 HB2 ALA 51 2HB ALA 51 -3.891 12.015 -3.212 325 HB3 ALA 51 3HB ALA 51 -5.369 12.889 -3.663 326 H GLY 52 H GLY 52 -5.393 15.464 -2.772 327 HA2 GLY 52 1HA GLY 52 -3.808 16.462 -0.513 328 HA3 GLY 52 2HA GLY 52 -5.420 16.958 -1.030 329 H SER 53 H SER 53 -6.062 13.843 -0.976 330 HA SER 53 HA SER 53 -5.859 13.051 1.749 331 HB3 SER 53 2HB SER 53 -7.591 14.570 2.264 332 HG SER 53 HG SER 53 -9.578 14.517 1.061 333 H VAL 54 H VAL 54 -7.138 10.930 1.991 334 HA VAL 54 HA VAL 54 -7.607 9.533 -0.581 335 HB VAL 54 HB VAL 54 -5.636 8.670 1.582 336 HG11 VAL 54 1HG1 VAL 54 -6.679 7.109 -0.826 337 HG12 VAL 54 2HG1 VAL 54 -5.297 6.631 0.168 338 HG13 VAL 54 3HG1 VAL 54 -6.904 6.683 0.890 339 HG21 VAL 54 3HG2 VAL 54 -5.349 9.269 -1.394 340 HG22 VAL 54 1HG2 VAL 54 -4.648 10.206 -0.069 341 HG23 VAL 54 2HG2 VAL 54 -4.072 8.572 -0.377 342 H TYR 55 H TYR 55 -9.310 8.170 -0.426 343 HA TYR 55 HA TYR 55 -10.246 7.309 2.255 344 HB3 TYR 55 2HB TYR 55 -11.718 8.927 2.003 345 HD1 TYR 55 2HD TYR 55 -12.239 7.295 -1.352 346 HD2 TYR 55 1HD TYR 55 -11.629 10.942 0.819 347 HE1 TYR 55 2HE TYR 55 -12.708 8.598 -3.435 348 HE2 TYR 55 1HE TYR 55 -12.134 12.273 -1.202 349 HH TYR 55 HH TYR 55 -12.809 12.208 -3.432 350 H LYS 56 H LYS 56 -9.057 6.204 -0.679 351 HA LYS 56 HA LYS 56 -10.110 3.587 -0.097 352 HB3 LYS 56 2HB LYS 56 -11.784 4.349 -1.702 353 HG3 LYS 56 2HG LYS 56 -9.523 4.828 -3.717 354 HD3 LYS 56 2HD LYS 56 -11.464 5.975 -4.933 355 HE3 LYS 56 2HE LYS 56 -12.606 3.859 -5.685 356 HZ1 LYS 56 3HZ LYS 56 -10.538 4.593 -6.652 357 HZ2 LYS 56 1HZ LYS 56 -10.779 2.993 -6.782 358 HZ3 LYS 56 2HZ LYS 56 -9.678 3.479 -5.696 359 H MET 57 H MET 57 -8.776 1.928 -1.353 360 HA MET 57 HA MET 57 -6.361 2.924 -2.618 361 HB3 MET 57 2HB MET 57 -6.295 1.480 0.049 362 HG3 MET 57 2HG MET 57 -4.226 1.329 -2.153 363 HE1 MET 57 3HE MET 57 -2.463 3.078 -1.545 364 HE2 MET 57 1HE MET 57 -3.335 3.681 -0.118 365 HE3 MET 57 2HE MET 57 -1.637 3.180 0.021 366 H ASP 58 H ASP 58 -5.535 1.414 -4.017 367 HA ASP 58 HA ASP 58 -6.981 -1.162 -4.286 368 HB3 ASP 58 2HB ASP 58 -7.615 -0.929 -6.457 369 H VAL 59 H VAL 59 -5.215 -2.398 -3.733 370 HA VAL 59 HA VAL 59 -2.687 -1.853 -5.241 371 HB VAL 59 HB VAL 59 -2.569 -1.459 -2.916 372 HG11 VAL 59 1HG1 VAL 59 -4.107 -2.862 -1.935 373 HG12 VAL 59 2HG1 VAL 59 -3.056 -4.295 -2.264 374 HG13 VAL 59 3HG1 VAL 59 -2.537 -2.988 -1.171 375 HG21 VAL 59 3HG2 VAL 59 -0.508 -2.107 -4.005 376 HG22 VAL 59 1HG2 VAL 59 -0.528 -2.622 -2.335 377 HG23 VAL 59 2HG2 VAL 59 -0.827 -3.819 -3.608 378 H THR 60 H THR 60 -1.459 -3.559 -6.001 379 HA THR 60 HA THR 60 -2.533 -6.221 -6.289 380 HB THR 60 HB THR 60 -3.921 -5.631 -7.967 381 HG1 THR 60 1HG THR 60 -3.097 -6.062 -9.870 382 HG21 THR 60 3HG2 THR 60 -2.220 -3.219 -8.605 383 HG22 THR 60 1HG2 THR 60 -3.824 -3.254 -7.827 384 HG23 THR 60 2HG2 THR 60 -3.678 -3.732 -9.508 385 H GLY 61 H GLY 61 -0.662 -6.999 -5.569 386 HA2 GLY 61 1HA GLY 61 1.854 -6.327 -7.062 387 HA3 GLY 61 2HA GLY 61 1.853 -6.454 -5.299 388 H THR 62 H THR 62 3.584 -8.094 -6.775 389 HA THR 62 HA THR 62 2.356 -10.731 -6.366 390 HB THR 62 HB THR 62 4.078 -10.293 -8.795 391 HG1 THR 62 1HG THR 62 2.551 -9.609 -9.962 392 HG21 THR 62 3HG2 THR 62 1.840 -12.291 -8.300 393 HG22 THR 62 1HG2 THR 62 3.572 -12.604 -8.053 394 HG23 THR 62 2HG2 THR 62 2.964 -12.236 -9.678 395 H THR 63 H THR 63 3.663 -12.167 -5.433 396 HA THR 63 HA THR 63 6.186 -11.302 -4.307 397 HB THR 63 HB THR 63 6.002 -13.198 -2.927 398 HG1 THR 63 1HG THR 63 4.645 -14.911 -3.390 399 HG21 THR 63 3HG2 THR 63 4.162 -11.547 -2.531 400 HG22 THR 63 1HG2 THR 63 3.804 -13.199 -2.030 401 HG23 THR 63 2HG2 THR 63 3.073 -12.577 -3.506 402 H GLN 64 H GLN 64 8.053 -12.755 -4.170 403 HA GLN 64 HA GLN 64 9.372 -13.385 -6.547 404 HB3 GLN 64 2HB GLN 64 9.628 -14.550 -3.751 405 HG3 GLN 64 2HG GLN 64 11.628 -14.530 -6.048 406 HE21 GLN 64 1HE2 GLN 64 13.194 -13.199 -4.756 407 HE22 GLN 64 2HE2 GLN 64 13.866 -13.836 -3.280 408 H SER 65 H SER 65 7.259 -15.459 -4.496 409 HA SER 65 HA SER 65 7.484 -17.852 -6.057 410 HB3 SER 65 2HB SER 65 5.428 -18.431 -4.686 411 HG SER 65 HG SER 65 7.458 -17.348 -3.010 412 H GLY 66 H GLY 66 6.097 -14.942 -7.089 413 HA2 GLY 66 1HA GLY 66 4.751 -14.532 -8.885 414 HA3 GLY 66 2HA GLY 66 4.656 -16.268 -9.205 415 H GLU 67 H GLU 67 3.715 -15.118 -5.946 416 HA GLU 67 HA GLU 67 0.905 -15.823 -6.551 417 HB3 GLU 67 2HB GLU 67 0.732 -15.489 -4.044 418 HG3 GLU 67 2HG GLU 67 2.700 -17.600 -4.948 419 H LYS 68 H LYS 68 -0.730 -14.219 -6.301 420 HA LYS 68 HA LYS 68 0.328 -11.468 -6.366 421 HB3 LYS 68 2HB LYS 68 -2.304 -12.429 -7.529 422 HG3 LYS 68 2HG LYS 68 -0.343 -10.186 -8.142 423 HD3 LYS 68 2HD LYS 68 -3.062 -10.553 -9.397 424 HE3 LYS 68 2HE LYS 68 -1.843 -8.298 -9.345 425 HZ1 LYS 68 3HZ LYS 68 -0.168 -9.563 -11.424 426 HZ2 LYS 68 1HZ LYS 68 0.379 -9.276 -9.882 427 HZ3 LYS 68 2HZ LYS 68 -0.045 -8.028 -10.840 428 H PHE 69 H PHE 69 -0.702 -9.974 -5.185 429 HA PHE 69 HA PHE 69 -2.953 -10.770 -3.381 430 HB3 PHE 69 2HB PHE 69 -0.990 -10.982 -2.042 431 HD1 PHE 69 1HD PHE 69 -0.826 -7.278 -2.111 432 HD2 PHE 69 2HD PHE 69 1.209 -10.936 -3.163 433 HE1 PHE 69 1HE PHE 69 1.249 -6.001 -2.488 434 HE2 PHE 69 2HE PHE 69 3.275 -9.662 -3.535 435 HZ PHE 69 HZ PHE 69 3.340 -7.194 -3.158 436 H THR 70 H THR 70 -4.356 -9.062 -2.850 437 HA THR 70 HA THR 70 -3.840 -6.344 -3.940 438 HB THR 70 HB THR 70 -6.246 -6.387 -4.694 439 HG1 THR 70 1HG THR 70 -7.236 -8.555 -4.857 440 HG21 THR 70 3HG2 THR 70 -4.780 -8.673 -6.066 441 HG22 THR 70 1HG2 THR 70 -4.593 -6.943 -6.426 442 HG23 THR 70 2HG2 THR 70 -6.148 -7.729 -6.703 443 H GLY 71 H GLY 71 -5.189 -4.861 -3.109 444 HA2 GLY 71 1HA GLY 71 -6.634 -5.451 -0.573 445 HA3 GLY 71 2HA GLY 71 -5.330 -4.251 -0.531 446 H HIS 72 H HIS 72 -8.563 -4.924 -1.423 447 HA HIS 72 HA HIS 72 -8.879 -2.404 -2.996 448 HB3 HIS 72 2HB HIS 72 -11.033 -3.407 -3.714 449 HD1 HIS 72 1HD HIS 72 -9.436 -2.702 -5.790 450 HD2 HIS 72 2HD HIS 72 -9.053 -6.597 -4.245 451 HE1 HIS 72 1HE HIS 72 -8.028 -4.029 -7.481 452 H PHE 73 H PHE 73 -9.066 -0.898 -1.447 453 HA PHE 73 HA PHE 73 -10.605 -1.535 1.022 454 HB3 PHE 73 2HB PHE 73 -9.097 0.036 2.145 455 HD1 PHE 73 2HD PHE 73 -9.176 -2.546 2.878 456 HD2 PHE 73 1HD PHE 73 -6.241 -0.778 0.280 457 HE1 PHE 73 2HE PHE 73 -7.486 -4.318 3.516 458 HE2 PHE 73 1HE PHE 73 -4.576 -2.480 0.968 459 HZ PHE 73 HZ PHE 73 -5.245 -4.261 2.591 460 H LYS 74 H LYS 74 -11.991 -0.024 1.771 461 HA LYS 74 HA LYS 74 -12.214 2.635 0.455 462 HB3 LYS 74 2HB LYS 74 -14.744 2.360 0.656 463 HG3 LYS 74 2HG LYS 74 -13.341 0.470 -1.288 464 HD3 LYS 74 2HD LYS 74 -16.215 1.292 -0.919 465 HE3 LYS 74 2HE LYS 74 -16.602 0.802 -3.352 466 HZ1 LYS 74 3HZ LYS 74 -15.966 3.011 -4.101 467 HZ2 LYS 74 1HZ LYS 74 -14.999 3.220 -2.798 468 HZ3 LYS 74 2HZ LYS 74 -16.608 3.068 -2.577 469 H GLY 75 H GLY 75 -13.615 4.114 1.904 470 HA2 GLY 75 1HA GLY 75 -14.263 4.918 3.890 471 HA3 GLY 75 2HA GLY 75 -14.200 3.281 4.563 472 H LEU 76 H LEU 76 -11.614 5.329 3.135 473 HA LEU 76 HA LEU 76 -9.986 4.713 5.574 474 HB3 LEU 76 2HB LEU 76 -8.046 5.388 4.255 475 HG LEU 76 HG LEU 76 -9.769 3.455 2.618 476 HD11 LEU 76 1HD1 LEU 76 -6.760 3.886 2.687 477 HD12 LEU 76 2HD1 LEU 76 -7.845 4.386 1.383 478 HD13 LEU 76 3HD1 LEU 76 -7.619 2.661 1.733 479 HD21 LEU 76 3HD2 LEU 76 -9.490 2.617 4.925 480 HD22 LEU 76 1HD2 LEU 76 -7.729 2.866 4.805 481 HD23 LEU 76 2HD2 LEU 76 -8.543 1.659 3.787 482 H VAL 77 H VAL 77 -8.881 6.345 6.688 483 HA VAL 77 HA VAL 77 -9.449 9.154 6.018 484 HB VAL 77 HB VAL 77 -9.733 9.563 8.507 485 HG11 VAL 77 1HG1 VAL 77 -11.963 8.077 7.094 486 HG12 VAL 77 2HG1 VAL 77 -12.129 9.195 8.462 487 HG13 VAL 77 3HG1 VAL 77 -11.538 9.790 6.902 488 HG21 VAL 77 3HG2 VAL 77 -10.644 7.798 9.912 489 HG22 VAL 77 1HG2 VAL 77 -10.483 6.608 8.615 490 HG23 VAL 77 2HG2 VAL 77 -9.033 7.322 9.358 491 H GLY 78 H GLY 78 -8.000 10.605 7.202 492 HA2 GLY 78 1HA GLY 78 -6.085 11.054 8.496 493 HA3 GLY 78 2HA GLY 78 -5.516 9.398 8.248 494 H LYS 79 H LYS 79 -3.947 11.750 7.814 495 HA LYS 79 HA LYS 79 -3.933 12.406 4.990 496 HB3 LYS 79 2HB LYS 79 -1.724 13.200 6.875 497 HG3 LYS 79 2HG LYS 79 -3.530 14.846 5.055 498 HD3 LYS 79 2HD LYS 79 -0.650 15.495 5.750 499 HE3 LYS 79 2HE LYS 79 -3.205 17.112 5.395 500 HZ1 LYS 79 3HZ LYS 79 -2.014 18.026 7.227 501 HZ2 LYS 79 1HZ LYS 79 -1.846 19.035 5.937 502 HZ3 LYS 79 2HZ LYS 79 -0.597 18.083 6.380 503 H ASP 80 H ASP 80 -2.944 9.632 6.284 504 HA ASP 80 HA ASP 80 -0.655 9.253 4.470 505 HB3 ASP 80 2HB ASP 80 -0.307 8.141 7.228 506 H THR 81 H THR 81 -0.235 6.944 4.185 507 HA THR 81 HA THR 81 -2.423 5.117 4.963 508 HB THR 81 HB THR 81 -2.168 4.597 2.300 509 HG1 THR 81 1HG THR 81 -2.434 6.596 1.233 510 HG21 THR 81 3HG2 THR 81 -4.410 5.528 2.087 511 HG22 THR 81 1HG2 THR 81 -4.150 6.595 3.495 512 HG23 THR 81 2HG2 THR 81 -4.260 4.832 3.707 513 H ARG 82 H ARG 82 -1.252 3.736 6.053 514 HA ARG 82 HA ARG 82 1.275 2.663 4.868 515 HB3 ARG 82 2HB ARG 82 1.239 1.402 7.207 516 HG3 ARG 82 2HG ARG 82 1.838 4.349 6.814 517 HD3 ARG 82 2HD ARG 82 3.620 3.873 8.559 518 HE ARG 82 HE ARG 82 1.437 3.580 10.312 519 HH11 ARG 82 1HH1 ARG 82 2.524 5.859 7.779 520 HH12 ARG 82 2HH1 ARG 82 2.105 7.247 8.672 521 HH21 ARG 82 1HH2 ARG 82 0.565 5.485 11.343 522 HH22 ARG 82 2HH2 ARG 82 0.739 7.023 10.577 523 H VAL 83 H VAL 83 1.563 0.513 4.609 524 HA VAL 83 HA VAL 83 -0.946 -1.066 4.266 525 HB VAL 83 HB VAL 83 1.250 -0.692 2.242 526 HG11 VAL 83 1HG1 VAL 83 0.084 -2.885 2.081 527 HG12 VAL 83 2HG1 VAL 83 -1.487 -2.051 2.040 528 HG13 VAL 83 3HG1 VAL 83 -0.332 -1.868 0.699 529 HG21 VAL 83 3HG2 VAL 83 -0.438 0.524 0.860 530 HG22 VAL 83 1HG2 VAL 83 -1.509 0.567 2.283 531 HG23 VAL 83 2HG2 VAL 83 0.059 1.409 2.297 532 H PHE 84 H PHE 84 -0.776 -2.950 5.249 533 HA PHE 84 HA PHE 84 1.987 -3.965 5.896 534 HB3 PHE 84 2HB PHE 84 0.883 -5.189 7.724 535 HD1 PHE 84 1HD PHE 84 2.099 -2.078 7.020 536 HD2 PHE 84 2HD PHE 84 -0.429 -4.010 9.904 537 HE1 PHE 84 1HE PHE 84 2.571 -0.277 8.623 538 HE2 PHE 84 2HE PHE 84 0.035 -2.222 11.499 539 HZ PHE 84 HZ PHE 84 1.542 -0.326 10.879 540 H ILE 85 H ILE 85 2.518 -5.328 4.325 541 HA ILE 85 HA ILE 85 0.475 -7.152 3.095 542 HB ILE 85 HB ILE 85 3.444 -6.737 2.508 543 HG13 ILE 85 2HG1 ILE 85 1.592 -5.122 1.565 544 HG21 ILE 85 1HG2 ILE 85 1.487 -8.734 1.249 545 HG22 ILE 85 2HG2 ILE 85 3.158 -8.441 0.709 546 HG23 ILE 85 3HG2 ILE 85 2.858 -9.143 2.288 547 HD11 ILE 85 3HD1 ILE 85 2.687 -4.905 -0.587 548 HD12 ILE 85 1HD1 ILE 85 3.924 -5.254 0.632 549 HD13 ILE 85 2HD1 ILE 85 3.372 -6.533 -0.468 550 H GLU 86 H GLU 86 0.035 -8.842 4.449 551 HA GLU 86 HA GLU 86 2.169 -10.165 5.979 552 HB3 GLU 86 2HB GLU 86 0.672 -10.417 7.906 553 HG3 GLU 86 2HG GLU 86 1.074 -7.487 7.252 554 H LEU 87 H LEU 87 0.970 -12.282 6.769 555 HA LEU 87 HA LEU 87 -0.367 -13.443 4.344 556 HB3 LEU 87 2HB LEU 87 0.212 -15.627 5.153 557 HG LEU 87 HG LEU 87 2.648 -13.829 5.473 558 HD11 LEU 87 1HD1 LEU 87 3.049 -15.973 6.546 559 HD12 LEU 87 2HD1 LEU 87 4.029 -15.773 5.084 560 HD13 LEU 87 3HD1 LEU 87 2.600 -16.822 5.054 561 HD21 LEU 87 3HD2 LEU 87 3.178 -14.550 3.151 562 HD22 LEU 87 1HD2 LEU 87 1.650 -13.661 3.222 563 HD23 LEU 87 2HD2 LEU 87 1.639 -15.432 3.073 564 H ASP 88 H ASP 88 -2.088 -15.139 4.994 565 HA ASP 88 HA ASP 88 -2.510 -15.257 7.728 566 HB3 ASP 88 2HB ASP 88 -5.260 -14.907 6.636 567 H GLU 89 H GLU 89 -4.711 -16.841 7.903 568 HA GLU 89 HA GLU 89 -5.197 -18.953 7.972 569 HB3 GLU 89 2HB GLU 89 -6.822 -19.118 6.535 570 HG3 GLU 89 2HG GLU 89 -6.638 -18.379 4.081 571 H ASN 90 H ASN 90 -3.029 -19.077 5.150 572 HA ASN 90 HA ASN 90 -1.782 -21.548 6.164 573 HB3 ASN 90 2HB ASN 90 -3.966 -22.330 5.184 574 HD21 ASN 90 1HD2 ASN 90 -4.488 -19.919 3.953 575 HD22 ASN 90 2HD2 ASN 90 -4.470 -20.090 2.215 576 H ALA 91 H ALA 91 -0.743 -19.014 5.661 577 HA ALA 91 HA ALA 91 0.635 -17.724 4.509 578 HB1 ALA 91 1HB ALA 91 2.593 -18.686 3.506 579 HB2 ALA 91 2HB ALA 91 2.148 -19.687 4.909 580 HB3 ALA 91 3HB ALA 91 1.789 -20.245 3.264 581 H ASP 92 H ASP 92 -1.761 -17.559 3.468 582 HA ASP 92 HA ASP 92 -1.236 -17.343 0.532 583 HB3 ASP 92 2HB ASP 92 -3.639 -16.545 0.465 584 H VAL 93 H VAL 93 -1.216 -15.238 -0.211 585 HA VAL 93 HA VAL 93 -0.493 -13.366 1.873 586 HB VAL 93 HB VAL 93 -0.418 -12.943 -1.151 587 HG11 VAL 93 1HG1 VAL 93 1.173 -11.735 1.166 588 HG12 VAL 93 2HG1 VAL 93 1.402 -11.367 -0.570 589 HG13 VAL 93 3HG1 VAL 93 -0.094 -10.911 0.251 590 HG21 VAL 93 3HG2 VAL 93 2.019 -13.658 -0.875 591 HG22 VAL 93 1HG2 VAL 93 1.519 -14.392 0.667 592 HG23 VAL 93 2HG2 VAL 93 0.820 -14.944 -0.860 593 H GLN 94 H GLN 94 -1.841 -12.034 2.782 594 HA GLN 94 HA GLN 94 -4.277 -11.083 1.354 595 HB3 GLN 94 2HB GLN 94 -5.224 -10.594 3.498 596 HG3 GLN 94 2HG GLN 94 -5.389 -12.654 4.650 597 HE21 GLN 94 1HE2 GLN 94 -3.792 -14.803 2.743 598 HE22 GLN 94 2HE2 GLN 94 -5.000 -15.068 1.505 599 H VAL 95 H VAL 95 -4.695 -8.703 2.634 600 HA VAL 95 HA VAL 95 -2.186 -7.261 2.852 601 HB VAL 95 HB VAL 95 -4.339 -6.142 1.012 602 HG11 VAL 95 1HG1 VAL 95 -1.553 -5.108 1.745 603 HG12 VAL 95 2HG1 VAL 95 -2.730 -4.329 0.641 604 HG13 VAL 95 3HG1 VAL 95 -3.063 -4.444 2.362 605 HG21 VAL 95 3HG2 VAL 95 -3.065 -7.890 -0.185 606 HG22 VAL 95 1HG2 VAL 95 -2.634 -6.292 -0.787 607 HG23 VAL 95 2HG2 VAL 95 -1.537 -7.166 0.326 608 H PHE 96 H PHE 96 -2.275 -6.085 4.613 609 HA PHE 96 HA PHE 96 -4.900 -5.403 5.813 610 HB3 PHE 96 2HB PHE 96 -2.203 -6.005 7.154 611 HD1 PHE 96 2HD PHE 96 -5.917 -6.419 7.707 612 HD2 PHE 96 1HD PHE 96 -2.177 -5.020 9.291 613 HE1 PHE 96 2HE PHE 96 -7.087 -5.591 9.740 614 HE2 PHE 96 1HE PHE 96 -3.334 -4.207 11.343 615 HZ PHE 96 HZ PHE 96 -5.803 -4.477 11.553 616 H ILE 97 H ILE 97 -4.646 -3.566 7.396 617 HA ILE 97 HA ILE 97 -2.646 -1.581 6.753 618 HB ILE 97 HB ILE 97 -4.579 0.106 6.330 619 HG13 ILE 97 2HG1 ILE 97 -6.492 -1.471 6.779 620 HG21 ILE 97 1HG2 ILE 97 -4.115 -1.774 3.992 621 HG22 ILE 97 2HG2 ILE 97 -4.303 -0.002 3.993 622 HG23 ILE 97 3HG2 ILE 97 -2.859 -0.732 4.653 623 HD11 ILE 97 3HD1 ILE 97 -6.455 -0.637 3.865 624 HD12 ILE 97 1HD1 ILE 97 -7.873 -0.776 4.930 625 HD13 ILE 97 2HD1 ILE 97 -6.677 0.530 5.183 626 HA PRO 98 HA PRO 98 -3.901 -0.914 10.969 627 HB3 PRO 98 2HB PRO 98 -1.713 -0.343 11.378 628 HG3 PRO 98 2HG PRO 98 -0.443 0.935 9.815 629 HD3 PRO 98 2HD PRO 98 -1.267 -0.840 8.512 630 H GLN 99 H GLN 99 -6.031 -0.493 10.138 631 HA GLN 99 HA GLN 99 -6.944 2.364 10.183 632 HB3 GLN 99 2HB GLN 99 -9.166 1.335 9.475 633 HG3 GLN 99 2HG GLN 99 -8.509 0.875 7.125 634 HE21 GLN 99 1HE2 GLN 99 -5.744 2.983 7.570 635 HE22 GLN 99 2HE2 GLN 99 -6.661 4.466 7.424 636 H GLY 100 H GLY 100 -9.204 2.417 11.442 637 HA2 GLY 100 1HA GLY 100 -9.420 0.984 13.938 638 HA3 GLY 100 2HA GLY 100 -8.336 2.394 14.099 639 H GLU 101 H GLU 101 -10.029 3.629 11.862 640 HA GLU 101 HA GLU 101 -12.298 4.646 13.449 641 HB3 GLU 101 2HB GLU 101 -10.271 6.260 11.816 642 HG3 GLU 101 2HG GLU 101 -12.221 6.991 14.020 643 H ILE 102 H ILE 102 -13.021 2.718 11.980 644 HA ILE 102 HA ILE 102 -13.618 3.588 9.246 645 HB ILE 102 HB ILE 102 -11.632 2.368 9.056 646 HG13 ILE 102 2HG1 ILE 102 -13.693 1.867 7.620 647 HG21 ILE 102 1HG2 ILE 102 -12.814 0.228 10.868 648 HG22 ILE 102 2HG2 ILE 102 -11.319 0.033 9.937 649 HG23 ILE 102 3HG2 ILE 102 -11.419 1.253 11.206 650 HD11 ILE 102 3HD1 ILE 102 -12.583 0.157 6.304 651 HD12 ILE 102 1HD1 ILE 102 -11.386 1.355 6.851 652 HD13 ILE 102 2HD1 ILE 102 -11.490 -0.239 7.647 653 H ASP 103 H ASP 103 -15.496 4.187 10.298 654 HA ASP 103 HA ASP 103 -17.646 4.098 10.726 655 HB3 ASP 103 2HB ASP 103 -17.743 1.391 9.406 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -6.671 27.228 -0.259 2 HA2 GLY 1 1HA GLY 1 -4.290 27.694 -0.597 3 HA3 GLY 1 2HA GLY 1 -4.097 25.999 -1.073 4 H ALA 2 H ALA 2 -3.799 25.878 -3.155 5 HA ALA 2 HA ALA 2 -5.466 27.334 -5.149 6 HB1 ALA 2 1HB ALA 2 -3.329 28.582 -4.745 7 HB2 ALA 2 2HB ALA 2 -2.422 27.100 -5.173 8 HB3 ALA 2 3HB ALA 2 -3.429 27.913 -6.384 9 H GLN 3 H GLN 3 -5.450 24.582 -4.117 10 HA GLN 3 HA GLN 3 -5.493 22.412 -4.674 11 HB3 GLN 3 2HB GLN 3 -5.766 21.657 -6.920 12 HG3 GLN 3 2HG GLN 3 -7.119 24.217 -7.462 13 HE21 GLN 3 1HE2 GLN 3 -7.130 22.034 -9.103 14 HE22 GLN 3 2HE2 GLN 3 -8.558 21.043 -8.918 15 H ASP 4 H ASP 4 -2.595 24.127 -4.925 16 HA ASP 4 HA ASP 4 -1.082 21.661 -5.338 17 HB3 ASP 4 2HB ASP 4 -0.036 23.979 -6.917 18 H GLY 5 H GLY 5 -1.694 23.183 -3.044 19 HA2 GLY 5 1HA GLY 5 0.538 24.835 -2.295 20 HA3 GLY 5 2HA GLY 5 -0.828 24.292 -1.292 21 H LYS 6 H LYS 6 0.232 23.479 0.489 22 HA LYS 6 HA LYS 6 2.246 21.340 0.028 23 HB3 LYS 6 2HB LYS 6 3.581 22.200 1.847 24 HG3 LYS 6 2HG LYS 6 2.945 24.603 0.103 25 HD3 LYS 6 2HD LYS 6 4.734 24.734 1.918 26 HE3 LYS 6 2HE LYS 6 5.781 22.468 1.562 27 HZ1 LYS 6 3HZ LYS 6 6.530 23.655 -1.041 28 HZ2 LYS 6 1HZ LYS 6 5.886 22.180 -0.772 29 HZ3 LYS 6 2HZ LYS 6 7.434 22.480 -0.307 30 H GLU 7 H GLU 7 -0.482 20.758 0.399 31 HA GLU 7 HA GLU 7 -0.549 19.725 3.197 32 HB3 GLU 7 2HB GLU 7 -3.091 20.009 2.926 33 HG3 GLU 7 2HG GLU 7 -1.184 22.307 3.093 34 H THR 8 H THR 8 0.506 18.451 0.882 35 HA THR 8 HA THR 8 -1.342 16.476 -0.143 36 HB THR 8 HB THR 8 1.667 16.248 -0.397 37 HG1 THR 8 1HG THR 8 1.656 18.198 -1.051 38 HG21 THR 8 3HG2 THR 8 1.109 15.643 -2.725 39 HG22 THR 8 1HG2 THR 8 -0.614 15.907 -2.398 40 HG23 THR 8 2HG2 THR 8 0.275 14.569 -1.614 41 H THR 9 H THR 9 -0.754 14.068 -0.082 42 HA THR 9 HA THR 9 -0.649 13.194 2.736 43 HB THR 9 HB THR 9 -1.425 10.982 1.525 44 HG1 THR 9 1HG THR 9 -2.196 12.881 -0.460 45 HG21 THR 9 3HG2 THR 9 -3.710 11.683 1.628 46 HG22 THR 9 1HG2 THR 9 -3.210 13.416 1.596 47 HG23 THR 9 2HG2 THR 9 -2.783 12.363 2.958 48 H THR 10 H THR 10 0.209 10.741 2.907 49 HA THR 10 HA THR 10 2.511 10.318 1.191 50 HB THR 10 HB THR 10 2.580 10.538 4.244 51 HG1 THR 10 1HG THR 10 2.946 12.216 2.322 52 HG21 THR 10 3HG2 THR 10 4.036 8.664 3.749 53 HG22 THR 10 1HG2 THR 10 5.016 10.089 4.109 54 HG23 THR 10 2HG2 THR 10 4.814 9.569 2.416 55 H ILE 11 H ILE 11 3.296 7.943 1.391 56 HA ILE 11 HA ILE 11 1.215 6.138 2.478 57 HB ILE 11 HB ILE 11 2.432 6.145 -0.306 58 HG13 ILE 11 2HG1 ILE 11 -0.035 7.303 0.618 59 HG21 ILE 11 1HG2 ILE 11 0.560 4.022 0.808 60 HG22 ILE 11 2HG2 ILE 11 1.180 4.132 -0.850 61 HG23 ILE 11 3HG2 ILE 11 2.292 3.836 0.482 62 HD11 ILE 11 3HD1 ILE 11 1.266 8.082 -1.307 63 HD12 ILE 11 1HD1 ILE 11 0.873 6.591 -2.194 64 HD13 ILE 11 2HD1 ILE 11 -0.427 7.715 -1.743 65 H ARG 12 H ARG 12 2.109 4.111 3.151 66 HA ARG 12 HA ARG 12 5.059 3.882 3.057 67 HB3 ARG 12 2HB ARG 12 3.642 3.434 5.710 68 HG3 ARG 12 2HG ARG 12 6.012 4.760 6.143 69 HD3 ARG 12 2HD ARG 12 7.058 2.225 5.938 70 HE ARG 12 HE ARG 12 5.553 2.352 8.351 71 HH11 ARG 12 1HH1 ARG 12 8.180 4.276 6.660 72 HH12 ARG 12 2HH1 ARG 12 8.866 4.695 8.193 73 HH21 ARG 12 1HH2 ARG 12 6.737 2.958 10.276 74 HH22 ARG 12 2HH2 ARG 12 8.060 4.080 10.087 75 H LEU 13 H LEU 13 5.646 1.916 2.450 76 HA LEU 13 HA LEU 13 3.591 -0.285 2.512 77 HB3 LEU 13 2HB LEU 13 5.353 -1.188 0.737 78 HG LEU 13 HG LEU 13 4.310 0.219 -1.148 79 HD11 LEU 13 1HD1 LEU 13 2.100 -0.965 -0.960 80 HD12 LEU 13 2HD1 LEU 13 2.602 -1.445 0.686 81 HD13 LEU 13 3HD1 LEU 13 3.521 -2.006 -0.717 82 HD21 LEU 13 3HD2 LEU 13 2.259 1.421 -0.658 83 HD22 LEU 13 1HD2 LEU 13 3.604 2.122 0.273 84 HD23 LEU 13 2HD2 LEU 13 2.399 1.090 1.066 85 H ILE 14 H ILE 14 3.977 -1.908 3.949 86 HA ILE 14 HA ILE 14 6.784 -2.430 4.725 87 HB ILE 14 HB ILE 14 4.389 -2.924 6.487 88 HG13 ILE 14 2HG1 ILE 14 5.994 -0.356 6.199 89 HG21 ILE 14 1HG2 ILE 14 6.033 -3.202 8.210 90 HG22 ILE 14 2HG2 ILE 14 6.621 -4.124 6.819 91 HG23 ILE 14 3HG2 ILE 14 7.338 -2.567 7.173 92 HD11 ILE 14 3HD1 ILE 14 3.118 -0.963 7.021 93 HD12 ILE 14 1HD1 ILE 14 3.801 0.648 7.029 94 HD13 ILE 14 2HD1 ILE 14 3.612 -0.220 5.495 95 H ASN 15 H ASN 15 7.436 -4.272 3.874 96 HA ASN 15 HA ASN 15 5.599 -6.302 3.023 97 HB3 ASN 15 2HB ASN 15 8.641 -6.568 3.054 98 HD21 ASN 15 1HD2 ASN 15 9.345 -7.991 1.405 99 HD22 ASN 15 2HD2 ASN 15 8.169 -8.795 0.367 100 H GLN 16 H GLN 16 4.790 -6.588 5.377 101 HA GLN 16 HA GLN 16 6.430 -7.929 7.309 102 HB3 GLN 16 2HB GLN 16 4.593 -7.864 8.760 103 HG3 GLN 16 2HG GLN 16 3.969 -5.411 7.105 104 HE21 GLN 16 1HE2 GLN 16 5.700 -5.507 10.137 105 HE22 GLN 16 2HE2 GLN 16 4.325 -5.110 11.175 106 H THR 17 H THR 17 6.468 -9.544 5.052 107 HA THR 17 HA THR 17 4.941 -12.008 5.723 108 HB THR 17 HB THR 17 5.480 -12.202 3.062 109 HG1 THR 17 1HG THR 17 6.492 -10.194 2.897 110 HG21 THR 17 3HG2 THR 17 3.250 -12.267 4.174 111 HG22 THR 17 1HG2 THR 17 3.252 -11.356 2.650 112 HG23 THR 17 2HG2 THR 17 3.301 -10.485 4.178 113 H TYR 18 H TYR 18 6.223 -13.767 4.135 114 HA TYR 18 HA TYR 18 8.907 -13.997 5.314 115 HB3 TYR 18 2HB TYR 18 7.063 -15.720 5.611 116 HD1 TYR 18 2HD TYR 18 5.766 -15.023 2.950 117 HD2 TYR 18 1HD TYR 18 8.394 -18.264 4.084 118 HE1 TYR 18 2HE TYR 18 4.832 -16.406 1.151 119 HE2 TYR 18 1HE TYR 18 7.483 -19.630 2.263 120 HH TYR 18 HH TYR 18 4.950 -18.498 -0.017 121 H PHE 19 H PHE 19 8.092 -12.496 2.563 122 HA PHE 19 HA PHE 19 9.666 -14.174 0.720 123 HB3 PHE 19 2HB PHE 19 7.369 -14.545 0.284 124 HD1 PHE 19 2HD PHE 19 7.611 -10.742 0.105 125 HD2 PHE 19 1HD PHE 19 4.930 -14.243 0.007 126 HE1 PHE 19 2HE PHE 19 5.521 -9.376 0.112 127 HE2 PHE 19 1HE PHE 19 3.137 -12.848 0.392 128 HZ PHE 19 HZ PHE 19 3.412 -10.338 0.196 129 H ASN 20 H ASN 20 9.485 -12.234 -1.445 130 HA ASN 20 HA ASN 20 10.581 -9.706 -0.456 131 HB3 ASN 20 2HB ASN 20 11.988 -11.527 -2.463 132 HD21 ASN 20 1HD2 ASN 20 12.269 -10.154 -4.413 133 HD22 ASN 20 2HD2 ASN 20 13.031 -8.599 -4.201 134 H VAL 21 H VAL 21 10.026 -8.027 -2.142 135 HA VAL 21 HA VAL 21 8.261 -9.069 -4.338 136 HB VAL 21 HB VAL 21 6.679 -7.229 -3.907 137 HG11 VAL 21 1HG1 VAL 21 6.243 -9.483 -3.045 138 HG12 VAL 21 2HG1 VAL 21 7.124 -9.092 -1.560 139 HG13 VAL 21 3HG1 VAL 21 5.613 -8.258 -1.923 140 HG21 VAL 21 3HG2 VAL 21 8.133 -5.683 -2.575 141 HG22 VAL 21 1HG2 VAL 21 6.642 -6.093 -1.707 142 HG23 VAL 21 2HG2 VAL 21 8.173 -6.866 -1.277 143 H LYS 22 H LYS 22 8.207 -7.885 -6.226 144 HA LYS 22 HA LYS 22 10.258 -5.738 -6.535 145 HB3 LYS 22 2HB LYS 22 11.391 -7.891 -6.860 146 HG3 LYS 22 2HG LYS 22 10.619 -9.014 -9.174 147 HD3 LYS 22 2HD LYS 22 9.558 -9.659 -6.414 148 HE3 LYS 22 2HE LYS 22 7.778 -10.475 -7.792 149 HZ1 LYS 22 3HZ LYS 22 8.405 -12.203 -9.499 150 HZ2 LYS 22 1HZ LYS 22 9.874 -11.525 -9.569 151 HZ3 LYS 22 2HZ LYS 22 8.557 -10.603 -9.951 152 H ASN 23 H ASN 23 7.345 -5.754 -6.732 153 HA ASN 23 HA ASN 23 6.938 -4.436 -9.239 154 HB3 ASN 23 2HB ASN 23 7.166 -6.433 -10.450 155 HD21 ASN 23 1HD2 ASN 23 5.280 -7.175 -7.555 156 HD22 ASN 23 2HD2 ASN 23 5.812 -8.853 -7.377 157 H ILE 24 H ILE 24 6.155 -3.328 -7.093 158 HA ILE 24 HA ILE 24 3.503 -4.317 -6.237 159 HB ILE 24 HB ILE 24 5.274 -2.259 -4.840 160 HG13 ILE 24 2HG1 ILE 24 5.471 -5.258 -4.834 161 HG21 ILE 24 1HG2 ILE 24 3.893 -2.946 -2.868 162 HG22 ILE 24 2HG2 ILE 24 2.986 -2.138 -4.152 163 HG23 ILE 24 3HG2 ILE 24 2.881 -3.885 -3.983 164 HD11 ILE 24 3HD1 ILE 24 7.787 -4.861 -4.573 165 HD12 ILE 24 1HD1 ILE 24 7.335 -3.494 -5.572 166 HD13 ILE 24 2HD1 ILE 24 7.540 -3.271 -3.830 167 H LYS 25 H LYS 25 1.984 -3.401 -7.438 168 HA LYS 25 HA LYS 25 2.171 -0.519 -8.098 169 HB3 LYS 25 2HB LYS 25 -0.410 -1.551 -8.778 170 HG3 LYS 25 2HG LYS 25 1.691 -1.408 -10.907 171 HD3 LYS 25 2HD LYS 25 -0.664 -1.254 -11.615 172 HE3 LYS 25 2HE LYS 25 -1.958 -0.282 -9.872 173 HZ1 LYS 25 3HZ LYS 25 -1.408 1.857 -8.904 174 HZ2 LYS 25 1HZ LYS 25 -0.022 1.938 -9.813 175 HZ3 LYS 25 2HZ LYS 25 -0.173 0.817 -8.630 176 H VAL 26 H VAL 26 1.172 0.973 -6.840 177 HA VAL 26 HA VAL 26 -1.038 0.042 -5.086 178 HB VAL 26 HB VAL 26 1.340 0.397 -4.057 179 HG11 VAL 26 1HG1 VAL 26 0.441 3.290 -4.088 180 HG12 VAL 26 2HG1 VAL 26 1.907 2.605 -3.407 181 HG13 VAL 26 3HG1 VAL 26 1.721 2.643 -5.164 182 HG21 VAL 26 3HG2 VAL 26 0.297 1.452 -2.015 183 HG22 VAL 26 1HG2 VAL 26 -1.174 1.628 -2.990 184 HG23 VAL 26 2HG2 VAL 26 -0.509 0.013 -2.655 185 H THR 27 H THR 27 -2.860 1.578 -5.135 186 HA THR 27 HA THR 27 -2.516 4.081 -6.711 187 HB THR 27 HB THR 27 -4.779 2.064 -6.995 188 HG1 THR 27 1HG THR 27 -3.884 1.584 -8.987 189 HG21 THR 27 3HG2 THR 27 -3.998 4.284 -8.922 190 HG22 THR 27 1HG2 THR 27 -5.127 4.538 -7.597 191 HG23 THR 27 2HG2 THR 27 -5.506 3.353 -8.851 192 H TRP 28 H TRP 28 -3.241 5.740 -5.434 193 HA TRP 28 HA TRP 28 -4.988 5.145 -3.068 194 HB3 TRP 28 2HB TRP 28 -2.755 5.874 -2.531 195 HD1 TRP 28 HD TRP 28 -3.698 9.391 -3.710 196 HE1 TRP 28 1HE TRP 28 -1.760 10.344 -5.073 197 HE3 TRP 28 3HE TRP 28 -0.987 5.137 -4.190 198 HZ2 TRP 28 2HZ TRP 28 0.842 9.387 -6.063 199 HZ3 TRP 28 3HZ TRP 28 1.235 5.163 -5.349 200 HH2 TRP 28 HH TRP 28 2.146 7.309 -6.240 201 H ASN 29 H ASN 29 -5.791 5.866 -5.916 202 HA ASN 29 HA ASN 29 -7.832 7.747 -5.421 203 HB3 ASN 29 2HB ASN 29 -6.030 9.088 -7.378 204 HD21 ASN 29 1HD2 ASN 29 -6.895 9.759 -3.979 205 HD22 ASN 29 2HD2 ASN 29 -8.119 10.977 -4.364 206 H ASP 30 H ASP 30 -8.492 8.741 -7.815 207 HA ASP 30 HA ASP 30 -9.045 6.276 -9.339 208 HB3 ASP 30 2HB ASP 30 -10.189 9.041 -9.839 209 H GLY 31 H GLY 31 -6.652 6.357 -9.769 210 HA2 GLY 31 1HA GLY 31 -5.646 6.201 -12.017 211 HA3 GLY 31 2HA GLY 31 -6.124 7.869 -12.307 212 H LYS 32 H LYS 32 -5.152 8.170 -9.182 213 HA LYS 32 HA LYS 32 -2.457 8.948 -10.019 214 HB3 LYS 32 2HB LYS 32 -3.280 9.319 -7.172 215 HG3 LYS 32 2HG LYS 32 -2.500 11.598 -7.627 216 HD3 LYS 32 2HD LYS 32 -0.788 9.329 -7.824 217 HE3 LYS 32 2HE LYS 32 0.109 11.588 -9.652 218 HZ1 LYS 32 3HZ LYS 32 2.010 10.359 -9.977 219 HZ2 LYS 32 1HZ LYS 32 1.509 9.034 -9.107 220 HZ3 LYS 32 2HZ LYS 32 1.846 10.492 -8.372 221 H GLU 33 H GLU 33 -0.799 7.494 -9.883 222 HA GLU 33 HA GLU 33 -0.679 5.608 -7.624 223 HB3 GLU 33 2HB GLU 33 -1.980 4.568 -9.464 224 HG3 GLU 33 2HG GLU 33 -0.509 5.574 -11.413 225 H GLN 34 H GLN 34 1.350 4.186 -8.054 226 HA GLN 34 HA GLN 34 3.403 4.990 -9.682 227 HB3 GLN 34 2HB GLN 34 3.818 6.815 -8.041 228 HG3 GLN 34 2HG GLN 34 3.431 5.267 -5.906 229 HE21 GLN 34 1HE2 GLN 34 4.278 3.307 -5.194 230 HE22 GLN 34 2HE2 GLN 34 5.994 2.928 -5.216 231 H THR 35 H THR 35 5.478 3.535 -9.078 232 HA THR 35 HA THR 35 4.483 0.958 -8.014 233 HB THR 35 HB THR 35 5.762 -0.069 -9.827 234 HG1 THR 35 1HG THR 35 6.393 1.032 -11.594 235 HG21 THR 35 3HG2 THR 35 3.537 -0.059 -10.075 236 HG22 THR 35 1HG2 THR 35 4.213 0.295 -11.658 237 HG23 THR 35 2HG2 THR 35 3.456 1.614 -10.720 238 H VAL 36 H VAL 36 6.101 -0.337 -6.937 239 HA VAL 36 HA VAL 36 8.437 1.291 -6.000 240 HB VAL 36 HB VAL 36 7.081 -1.083 -4.674 241 HG11 VAL 36 1HG1 VAL 36 8.484 -0.576 -2.729 242 HG12 VAL 36 2HG1 VAL 36 9.484 -0.955 -4.127 243 HG13 VAL 36 3HG1 VAL 36 9.280 0.736 -3.622 244 HG21 VAL 36 3HG2 VAL 36 5.618 0.883 -4.506 245 HG22 VAL 36 1HG2 VAL 36 6.328 0.505 -2.941 246 HG23 VAL 36 2HG2 VAL 36 6.982 1.857 -3.885 247 H ASN 37 H ASN 37 10.440 0.590 -6.576 248 HA ASN 37 HA ASN 37 10.695 -1.319 -8.616 249 HB3 ASN 37 2HB ASN 37 12.871 -0.274 -6.768 250 HD21 ASN 37 1HD2 ASN 37 14.638 -1.711 -6.941 251 HD22 ASN 37 2HD2 ASN 37 14.922 -2.752 -8.324 252 H THR 38 H THR 38 11.847 -1.751 -5.185 253 HA THR 38 HA THR 38 10.780 -4.394 -5.146 254 HB THR 38 HB THR 38 13.804 -4.020 -4.912 255 HG1 THR 38 1HG THR 38 12.311 -4.420 -7.014 256 HG21 THR 38 3HG2 THR 38 12.360 -6.704 -4.895 257 HG22 THR 38 1HG2 THR 38 12.930 -5.920 -3.407 258 HG23 THR 38 2HG2 THR 38 14.084 -6.390 -4.653 259 H LEU 39 H LEU 39 10.751 -5.191 -2.928 260 HA LEU 39 HA LEU 39 11.535 -3.290 -0.825 261 HB3 LEU 39 2HB LEU 39 8.963 -4.881 -0.597 262 HG LEU 39 HG LEU 39 8.242 -3.307 0.995 263 HD11 LEU 39 1HD1 LEU 39 9.615 -3.860 2.775 264 HD12 LEU 39 2HD1 LEU 39 11.090 -3.790 1.787 265 HD13 LEU 39 3HD1 LEU 39 9.971 -5.145 1.614 266 HD21 LEU 39 3HD2 LEU 39 10.870 -1.792 0.839 267 HD22 LEU 39 1HD2 LEU 39 9.405 -1.411 1.741 268 HD23 LEU 39 2HD2 LEU 39 9.417 -1.317 -0.046 269 H GLY 40 H GLY 40 12.765 -4.379 0.540 270 HA2 GLY 40 1HA GLY 40 13.503 -7.071 0.138 271 HA3 GLY 40 2HA GLY 40 14.029 -6.020 1.441 272 H SER 41 H SER 41 13.878 -7.550 3.100 273 HA SER 41 HA SER 41 11.399 -9.186 3.278 274 HB3 SER 41 2HB SER 41 12.700 -10.919 3.650 275 HG SER 41 HG SER 41 14.196 -9.726 2.170 276 H HIS 42 H HIS 42 10.002 -8.778 4.896 277 HA HIS 42 HA HIS 42 8.995 -7.785 6.593 278 HB3 HIS 42 2HB HIS 42 11.148 -7.474 8.514 279 HD1 HIS 42 1HD HIS 42 9.792 -8.010 10.752 280 HD2 HIS 42 2HD HIS 42 8.472 -9.977 7.265 281 HE1 HIS 42 1HE HIS 42 7.693 -9.311 11.409 282 H ASP 43 H ASP 43 10.635 -6.117 4.654 283 HA ASP 43 HA ASP 43 11.737 -3.962 6.235 284 HB3 ASP 43 2HB ASP 43 12.191 -3.302 3.611 285 H SER 44 H SER 44 11.536 -1.746 4.927 286 HA SER 44 HA SER 44 8.751 -1.189 4.272 287 HB3 SER 44 2HB SER 44 8.499 -0.776 6.543 288 HG SER 44 HG SER 44 10.646 -0.882 7.268 289 H ILE 45 H ILE 45 8.429 0.825 3.251 290 HA ILE 45 HA ILE 45 10.589 2.642 2.748 291 HB ILE 45 HB ILE 45 10.807 0.992 0.853 292 HG13 ILE 45 2HG1 ILE 45 11.427 3.457 0.715 293 HG21 ILE 45 1HG2 ILE 45 8.310 0.520 0.674 294 HG22 ILE 45 2HG2 ILE 45 8.134 2.081 -0.145 295 HG23 ILE 45 3HG2 ILE 45 9.144 0.813 -0.867 296 HD11 ILE 45 3HD1 ILE 45 11.856 3.470 -1.672 297 HD12 ILE 45 1HD1 ILE 45 12.140 1.836 -1.043 298 HD13 ILE 45 2HD1 ILE 45 10.653 2.203 -1.952 299 H ASP 46 H ASP 46 9.642 4.672 1.862 300 HA ASP 46 HA ASP 46 6.738 4.851 1.894 301 HB3 ASP 46 2HB ASP 46 6.513 5.904 3.836 302 H PHE 47 H PHE 47 5.982 6.523 0.686 303 HA PHE 47 HA PHE 47 7.843 8.249 -0.796 304 HB3 PHE 47 2HB PHE 47 7.883 6.428 -2.310 305 HD1 PHE 47 1HD PHE 47 7.322 4.327 -1.340 306 HD2 PHE 47 2HD PHE 47 4.288 6.903 -2.989 307 HE1 PHE 47 1HE PHE 47 5.696 2.451 -1.253 308 HE2 PHE 47 2HE PHE 47 2.669 5.004 -2.967 309 HZ PHE 47 HZ PHE 47 3.388 2.802 -2.014 310 H SER 48 H SER 48 6.648 9.878 -2.063 311 HA SER 48 HA SER 48 4.358 10.821 -0.505 312 HB3 SER 48 2HB SER 48 5.050 12.874 -2.012 313 HG SER 48 HG SER 48 6.751 11.760 -0.028 314 H SER 49 H SER 49 2.304 10.685 -1.288 315 HA SER 49 HA SER 49 1.615 10.169 -4.017 316 HB3 SER 49 2HB SER 49 -0.133 9.549 -2.710 317 HG SER 49 HG SER 49 -0.533 11.016 -0.698 318 H ASP 50 H ASP 50 0.175 11.798 -5.121 319 HA ASP 50 HA ASP 50 1.268 14.546 -4.991 320 HB3 ASP 50 2HB ASP 50 1.065 14.594 -7.356 321 H ALA 51 H ALA 51 -1.079 13.441 -3.472 322 HA ALA 51 HA ALA 51 -3.400 14.879 -4.667 323 HB1 ALA 51 1HB ALA 51 -3.606 12.465 -5.128 324 HB2 ALA 51 2HB ALA 51 -3.415 12.115 -3.388 325 HB3 ALA 51 3HB ALA 51 -4.830 13.015 -3.973 326 H GLY 52 H GLY 52 -4.519 16.086 -3.208 327 HA2 GLY 52 1HA GLY 52 -3.426 16.764 -0.679 328 HA3 GLY 52 2HA GLY 52 -4.979 17.274 -1.331 329 H SER 53 H SER 53 -5.418 14.048 -1.348 330 HA SER 53 HA SER 53 -5.461 13.198 1.326 331 HB3 SER 53 2HB SER 53 -7.154 14.559 2.032 332 HG SER 53 HG SER 53 -7.721 15.604 0.201 333 H VAL 54 H VAL 54 -6.530 11.080 1.551 334 HA VAL 54 HA VAL 54 -6.974 9.610 -0.986 335 HB VAL 54 HB VAL 54 -4.996 8.945 1.256 336 HG11 VAL 54 1HG1 VAL 54 -6.139 6.875 0.577 337 HG12 VAL 54 2HG1 VAL 54 -5.839 7.237 -1.135 338 HG13 VAL 54 3HG1 VAL 54 -4.495 6.880 -0.030 339 HG21 VAL 54 3HG2 VAL 54 -3.321 8.931 -0.581 340 HG22 VAL 54 1HG2 VAL 54 -4.590 9.470 -1.710 341 HG23 VAL 54 2HG2 VAL 54 -4.065 10.517 -0.384 342 H TYR 55 H TYR 55 -9.100 9.138 -0.653 343 HA TYR 55 HA TYR 55 -9.876 7.922 1.936 344 HB3 TYR 55 2HB TYR 55 -11.273 9.598 1.697 345 HD1 TYR 55 2HD TYR 55 -11.188 8.093 -1.766 346 HD2 TYR 55 1HD TYR 55 -12.265 11.466 0.700 347 HE1 TYR 55 2HE TYR 55 -11.604 9.423 -3.789 348 HE2 TYR 55 1HE TYR 55 -12.813 12.777 -1.315 349 HH TYR 55 HH TYR 55 -12.787 12.849 -3.689 350 H LYS 56 H LYS 56 -8.484 6.630 -0.742 351 HA LYS 56 HA LYS 56 -9.702 4.070 -0.309 352 HB3 LYS 56 2HB LYS 56 -11.345 4.917 -1.876 353 HG3 LYS 56 2HG LYS 56 -9.343 5.191 -4.121 354 HD3 LYS 56 2HD LYS 56 -10.993 6.916 -4.882 355 HE3 LYS 56 2HE LYS 56 -11.165 4.532 -5.642 356 HZ1 LYS 56 3HZ LYS 56 -13.393 4.463 -3.722 357 HZ2 LYS 56 1HZ LYS 56 -12.082 3.437 -3.781 358 HZ3 LYS 56 2HZ LYS 56 -13.216 3.416 -4.960 359 H MET 57 H MET 57 -8.433 2.307 -1.311 360 HA MET 57 HA MET 57 -5.897 3.098 -2.523 361 HB3 MET 57 2HB MET 57 -6.005 1.633 0.146 362 HG3 MET 57 2HG MET 57 -4.218 0.858 -1.325 363 HE1 MET 57 3HE MET 57 -1.736 3.113 -0.101 364 HE2 MET 57 1HE MET 57 -1.373 4.300 -1.370 365 HE3 MET 57 2HE MET 57 -2.771 4.555 -0.300 366 H ASP 58 H ASP 58 -5.591 1.652 -4.102 367 HA ASP 58 HA ASP 58 -6.681 -1.109 -3.865 368 HB3 ASP 58 2HB ASP 58 -6.715 -0.974 -6.435 369 H VAL 59 H VAL 59 -5.032 -2.325 -3.467 370 HA VAL 59 HA VAL 59 -2.320 -1.788 -4.609 371 HB VAL 59 HB VAL 59 -3.059 -3.552 -2.239 372 HG11 VAL 59 1HG1 VAL 59 -0.834 -3.964 -3.088 373 HG12 VAL 59 2HG1 VAL 59 -0.479 -2.240 -3.190 374 HG13 VAL 59 3HG1 VAL 59 -0.679 -3.022 -1.604 375 HG21 VAL 59 3HG2 VAL 59 -2.326 -1.621 -0.761 376 HG22 VAL 59 1HG2 VAL 59 -2.579 -0.564 -2.173 377 HG23 VAL 59 2HG2 VAL 59 -3.920 -1.498 -1.491 378 H THR 60 H THR 60 -1.152 -3.467 -5.649 379 HA THR 60 HA THR 60 -2.189 -6.163 -5.850 380 HB THR 60 HB THR 60 -3.913 -5.193 -7.109 381 HG1 THR 60 1HG THR 60 -3.800 -6.033 -8.961 382 HG21 THR 60 3HG2 THR 60 -1.995 -3.452 -8.603 383 HG22 THR 60 1HG2 THR 60 -3.269 -2.982 -7.445 384 HG23 THR 60 2HG2 THR 60 -3.723 -3.714 -8.978 385 H GLY 61 H GLY 61 -0.296 -7.122 -5.606 386 HA2 GLY 61 1HA GLY 61 1.855 -6.560 -7.539 387 HA3 GLY 61 2HA GLY 61 2.252 -6.270 -5.833 388 H THR 62 H THR 62 3.812 -8.099 -6.898 389 HA THR 62 HA THR 62 2.668 -10.699 -6.319 390 HB THR 62 HB THR 62 4.764 -10.384 -8.449 391 HG1 THR 62 1HG THR 62 2.569 -10.335 -9.746 392 HG21 THR 62 3HG2 THR 62 3.606 -12.298 -9.449 393 HG22 THR 62 1HG2 THR 62 2.321 -12.208 -8.225 394 HG23 THR 62 2HG2 THR 62 3.969 -12.622 -7.746 395 H THR 63 H THR 63 3.989 -12.279 -5.306 396 HA THR 63 HA THR 63 6.328 -11.427 -3.838 397 HB THR 63 HB THR 63 6.075 -13.486 -2.706 398 HG1 THR 63 1HG THR 63 4.715 -15.164 -3.544 399 HG21 THR 63 3HG2 THR 63 3.793 -13.625 -2.100 400 HG22 THR 63 1HG2 THR 63 3.248 -12.720 -3.505 401 HG23 THR 63 2HG2 THR 63 4.259 -11.907 -2.317 402 H GLN 64 H GLN 64 8.270 -12.876 -3.730 403 HA GLN 64 HA GLN 64 9.639 -13.258 -6.122 404 HB3 GLN 64 2HB GLN 64 9.813 -14.477 -3.344 405 HG3 GLN 64 2HG GLN 64 11.723 -14.705 -5.701 406 HE21 GLN 64 1HE2 GLN 64 12.686 -12.981 -3.786 407 HE22 GLN 64 2HE2 GLN 64 13.864 -13.793 -2.780 408 H SER 65 H SER 65 7.560 -15.538 -4.219 409 HA SER 65 HA SER 65 7.755 -17.778 -5.988 410 HB3 SER 65 2HB SER 65 5.542 -18.334 -4.641 411 HG SER 65 HG SER 65 6.921 -19.290 -3.496 412 H GLY 66 H GLY 66 6.341 -14.805 -6.746 413 HA2 GLY 66 1HA GLY 66 5.079 -14.360 -8.633 414 HA3 GLY 66 2HA GLY 66 4.886 -16.103 -8.900 415 H GLU 67 H GLU 67 3.946 -14.967 -5.661 416 HA GLU 67 HA GLU 67 1.178 -15.686 -6.333 417 HB3 GLU 67 2HB GLU 67 0.867 -15.395 -3.864 418 HG3 GLU 67 2HG GLU 67 2.835 -17.341 -4.906 419 H LYS 68 H LYS 68 -0.445 -14.191 -5.836 420 HA LYS 68 HA LYS 68 0.484 -11.357 -6.003 421 HB3 LYS 68 2HB LYS 68 -1.823 -12.781 -7.348 422 HG3 LYS 68 2HG LYS 68 -0.638 -10.046 -7.642 423 HD3 LYS 68 2HD LYS 68 -3.084 -11.358 -8.881 424 HE3 LYS 68 2HE LYS 68 -2.220 -8.433 -9.114 425 HZ1 LYS 68 3HZ LYS 68 -4.613 -8.283 -9.862 426 HZ2 LYS 68 1HZ LYS 68 -4.631 -9.912 -9.971 427 HZ3 LYS 68 2HZ LYS 68 -3.624 -9.040 -10.917 428 H PHE 69 H PHE 69 -0.049 -10.120 -4.544 429 HA PHE 69 HA PHE 69 -1.912 -10.787 -2.445 430 HB3 PHE 69 2HB PHE 69 -0.073 -10.205 -1.562 431 HD1 PHE 69 2HD PHE 69 1.913 -10.537 -2.829 432 HD2 PHE 69 1HD PHE 69 -0.115 -6.734 -2.645 433 HE1 PHE 69 2HE PHE 69 4.008 -9.363 -3.421 434 HE2 PHE 69 1HE PHE 69 2.020 -5.538 -3.183 435 HZ PHE 69 HZ PHE 69 4.121 -6.891 -3.499 436 H THR 70 H THR 70 -3.856 -9.236 -2.393 437 HA THR 70 HA THR 70 -3.585 -6.745 -3.911 438 HB THR 70 HB THR 70 -5.885 -6.804 -4.746 439 HG1 THR 70 1HG THR 70 -5.760 -9.609 -4.213 440 HG21 THR 70 3HG2 THR 70 -4.106 -8.851 -6.058 441 HG22 THR 70 1HG2 THR 70 -4.188 -7.099 -6.337 442 HG23 THR 70 2HG2 THR 70 -5.580 -8.111 -6.735 443 H GLY 71 H GLY 71 -4.948 -5.124 -3.256 444 HA2 GLY 71 1HA GLY 71 -6.195 -5.454 -0.557 445 HA3 GLY 71 2HA GLY 71 -4.890 -4.270 -0.783 446 H HIS 72 H HIS 72 -8.213 -5.056 -1.579 447 HA HIS 72 HA HIS 72 -8.521 -2.549 -3.138 448 HB3 HIS 72 2HB HIS 72 -10.654 -3.645 -3.810 449 HD1 HIS 72 1HD HIS 72 -8.813 -3.069 -5.848 450 HD2 HIS 72 2HD HIS 72 -8.852 -6.863 -4.012 451 HE1 HIS 72 1HE HIS 72 -7.816 -4.696 -7.536 452 H PHE 73 H PHE 73 -8.539 -0.996 -1.372 453 HA PHE 73 HA PHE 73 -10.671 -1.308 0.678 454 HB3 PHE 73 2HB PHE 73 -9.283 0.152 2.031 455 HD1 PHE 73 1HD PHE 73 -9.433 -2.160 3.026 456 HD2 PHE 73 2HD PHE 73 -6.359 -1.022 0.226 457 HE1 PHE 73 1HE PHE 73 -7.960 -3.986 3.884 458 HE2 PHE 73 2HE PHE 73 -4.898 -2.819 1.080 459 HZ PHE 73 HZ PHE 73 -5.681 -4.268 2.955 460 H LYS 74 H LYS 74 -11.820 0.537 1.417 461 HA LYS 74 HA LYS 74 -11.688 3.063 -0.096 462 HB3 LYS 74 2HB LYS 74 -14.251 2.982 -0.296 463 HG3 LYS 74 2HG LYS 74 -12.399 2.362 -2.142 464 HD3 LYS 74 2HD LYS 74 -13.124 -0.088 -1.539 465 HE3 LYS 74 2HE LYS 74 -15.484 1.035 -2.970 466 HZ1 LYS 74 3HZ LYS 74 -14.799 -0.267 -4.704 467 HZ2 LYS 74 1HZ LYS 74 -15.972 -1.139 -3.945 468 HZ3 LYS 74 2HZ LYS 74 -14.394 -1.567 -3.769 469 H GLY 75 H GLY 75 -13.304 4.665 0.988 470 HA2 GLY 75 1HA GLY 75 -14.373 5.566 2.791 471 HA3 GLY 75 2HA GLY 75 -14.288 4.003 3.612 472 H LEU 76 H LEU 76 -11.349 5.624 2.467 473 HA LEU 76 HA LEU 76 -10.282 5.217 5.164 474 HB3 LEU 76 2HB LEU 76 -8.147 5.793 4.271 475 HG LEU 76 HG LEU 76 -9.626 4.171 2.155 476 HD11 LEU 76 1HD1 LEU 76 -6.662 4.342 2.783 477 HD12 LEU 76 2HD1 LEU 76 -7.453 5.114 1.405 478 HD13 LEU 76 3HD1 LEU 76 -7.441 3.349 1.524 479 HD21 LEU 76 3HD2 LEU 76 -9.843 3.099 4.343 480 HD22 LEU 76 1HD2 LEU 76 -8.104 3.270 4.642 481 HD23 LEU 76 2HD2 LEU 76 -8.711 2.196 3.351 482 H VAL 77 H VAL 77 -8.926 6.840 6.136 483 HA VAL 77 HA VAL 77 -9.535 9.690 5.900 484 HB VAL 77 HB VAL 77 -9.819 9.660 8.474 485 HG11 VAL 77 1HG1 VAL 77 -11.599 10.268 6.852 486 HG12 VAL 77 2HG1 VAL 77 -12.144 8.574 6.866 487 HG13 VAL 77 3HG1 VAL 77 -12.186 9.544 8.357 488 HG21 VAL 77 3HG2 VAL 77 -10.835 7.724 9.514 489 HG22 VAL 77 1HG2 VAL 77 -10.800 6.797 8.000 490 HG23 VAL 77 2HG2 VAL 77 -9.288 7.267 8.796 491 H GLY 78 H GLY 78 -8.008 10.897 7.345 492 HA2 GLY 78 1HA GLY 78 -5.976 11.171 8.457 493 HA3 GLY 78 2HA GLY 78 -5.637 9.446 8.269 494 H LYS 79 H LYS 79 -3.795 11.606 7.821 495 HA LYS 79 HA LYS 79 -3.723 12.129 4.952 496 HB3 LYS 79 2HB LYS 79 -1.577 13.201 6.744 497 HG3 LYS 79 2HG LYS 79 -3.661 14.313 4.834 498 HD3 LYS 79 2HD LYS 79 -1.578 15.960 6.328 499 HE3 LYS 79 2HE LYS 79 -3.902 16.510 4.448 500 HZ1 LYS 79 3HZ LYS 79 -3.713 18.829 5.139 501 HZ2 LYS 79 1HZ LYS 79 -2.720 18.374 6.399 502 HZ3 LYS 79 2HZ LYS 79 -4.282 17.862 6.307 503 H ASP 80 H ASP 80 -2.676 9.564 6.459 504 HA ASP 80 HA ASP 80 -0.322 9.186 4.707 505 HB3 ASP 80 2HB ASP 80 -0.792 7.988 7.369 506 H THR 81 H THR 81 -0.163 6.826 4.131 507 HA THR 81 HA THR 81 -2.521 5.181 4.742 508 HB THR 81 HB THR 81 -1.693 5.279 1.832 509 HG1 THR 81 1HG THR 81 -3.322 7.064 3.256 510 HG21 THR 81 3HG2 THR 81 -3.139 3.449 2.697 511 HG22 THR 81 1HG2 THR 81 -4.052 4.526 1.606 512 HG23 THR 81 2HG2 THR 81 -4.237 4.680 3.370 513 H ARG 82 H ARG 82 -1.354 3.781 6.002 514 HA ARG 82 HA ARG 82 1.111 2.532 4.973 515 HB3 ARG 82 2HB ARG 82 0.760 0.939 6.893 516 HG3 ARG 82 2HG ARG 82 0.464 3.860 7.690 517 HD3 ARG 82 2HD ARG 82 1.291 1.410 9.299 518 HE ARG 82 HE ARG 82 1.756 4.217 9.721 519 HH11 ARG 82 1HH1 ARG 82 0.701 1.343 11.571 520 HH12 ARG 82 2HH1 ARG 82 1.266 1.957 13.078 521 HH21 ARG 82 1HH2 ARG 82 2.532 4.946 11.612 522 HH22 ARG 82 2HH2 ARG 82 2.598 3.933 13.052 523 H VAL 83 H VAL 83 1.309 0.342 4.530 524 HA VAL 83 HA VAL 83 -1.102 -1.224 3.815 525 HB VAL 83 HB VAL 83 1.436 -0.702 2.241 526 HG11 VAL 83 1HG1 VAL 83 0.120 -2.492 0.650 527 HG12 VAL 83 2HG1 VAL 83 1.356 -2.950 1.845 528 HG13 VAL 83 3HG1 VAL 83 -0.344 -3.073 2.262 529 HG21 VAL 83 3HG2 VAL 83 -1.480 -0.445 1.452 530 HG22 VAL 83 1HG2 VAL 83 -0.346 0.892 1.758 531 HG23 VAL 83 2HG2 VAL 83 -0.090 -0.175 0.376 532 H PHE 84 H PHE 84 -1.012 -2.840 5.351 533 HA PHE 84 HA PHE 84 1.611 -3.976 6.242 534 HB3 PHE 84 2HB PHE 84 0.098 -5.360 7.679 535 HD1 PHE 84 1HD PHE 84 1.646 -2.283 7.577 536 HD2 PHE 84 2HD PHE 84 -1.391 -4.315 9.828 537 HE1 PHE 84 1HE PHE 84 2.204 -0.909 9.551 538 HE2 PHE 84 2HE PHE 84 -0.861 -2.923 11.789 539 HZ PHE 84 HZ PHE 84 0.957 -1.246 11.685 540 H ILE 85 H ILE 85 2.223 -5.970 5.351 541 HA ILE 85 HA ILE 85 0.337 -7.131 3.339 542 HB ILE 85 HB ILE 85 3.384 -7.042 3.215 543 HG13 ILE 85 2HG1 ILE 85 2.370 -4.793 2.807 544 HG21 ILE 85 1HG2 ILE 85 1.332 -7.966 1.139 545 HG22 ILE 85 2HG2 ILE 85 3.100 -8.000 0.946 546 HG23 ILE 85 3HG2 ILE 85 2.326 -9.033 2.144 547 HD11 ILE 85 3HD1 ILE 85 3.330 -5.881 0.146 548 HD12 ILE 85 1HD1 ILE 85 3.406 -4.221 0.768 549 HD13 ILE 85 2HD1 ILE 85 4.412 -5.471 1.491 550 H GLU 86 H GLU 86 -0.313 -9.133 4.001 551 HA GLU 86 HA GLU 86 1.583 -10.974 5.162 552 HB3 GLU 86 2HB GLU 86 1.030 -9.863 7.161 553 HG3 GLU 86 2HG GLU 86 -1.870 -10.398 6.464 554 H LEU 87 H LEU 87 0.271 -13.057 5.812 555 HA LEU 87 HA LEU 87 -1.216 -13.813 3.352 556 HB3 LEU 87 2HB LEU 87 -0.442 -16.027 3.618 557 HG LEU 87 HG LEU 87 1.873 -14.260 4.524 558 HD11 LEU 87 1HD1 LEU 87 1.978 -17.114 3.422 559 HD12 LEU 87 2HD1 LEU 87 2.355 -16.638 5.083 560 HD13 LEU 87 3HD1 LEU 87 3.373 -16.075 3.759 561 HD21 LEU 87 3HD2 LEU 87 1.058 -13.632 2.355 562 HD22 LEU 87 1HD2 LEU 87 1.059 -15.320 1.799 563 HD23 LEU 87 2HD2 LEU 87 2.594 -14.481 2.161 564 H ASP 88 H ASP 88 -3.186 -14.867 3.557 565 HA ASP 88 HA ASP 88 -4.159 -15.695 6.213 566 HB3 ASP 88 2HB ASP 88 -5.844 -13.886 4.449 567 H GLU 89 H GLU 89 -6.388 -16.749 5.726 568 HA GLU 89 HA GLU 89 -7.792 -18.182 4.696 569 HB3 GLU 89 2HB GLU 89 -8.069 -18.047 2.275 570 HG3 GLU 89 2HG GLU 89 -7.395 -15.297 3.409 571 H ASN 90 H ASN 90 -4.968 -18.530 2.600 572 HA ASN 90 HA ASN 90 -4.660 -21.393 3.151 573 HB3 ASN 90 2HB ASN 90 -6.566 -21.387 1.578 574 HD21 ASN 90 1HD2 ASN 90 -6.327 -18.703 0.859 575 HD22 ASN 90 2HD2 ASN 90 -6.038 -18.599 -0.866 576 H ALA 91 H ALA 91 -3.016 -19.182 3.569 577 HA ALA 91 HA ALA 91 -1.047 -18.221 3.219 578 HB1 ALA 91 1HB ALA 91 -0.222 -20.640 1.584 579 HB2 ALA 91 2HB ALA 91 0.817 -19.434 2.360 580 HB3 ALA 91 3HB ALA 91 -0.144 -20.547 3.359 581 H ASP 92 H ASP 92 -3.050 -17.254 1.792 582 HA ASP 92 HA ASP 92 -1.929 -16.713 -0.932 583 HB3 ASP 92 2HB ASP 92 -4.035 -15.222 -1.080 584 H VAL 93 H VAL 93 -1.136 -14.651 -1.100 585 HA VAL 93 HA VAL 93 -0.990 -13.090 1.397 586 HB VAL 93 HB VAL 93 0.888 -13.315 0.301 587 HG11 VAL 93 1HG1 VAL 93 1.876 -12.606 -1.379 588 HG12 VAL 93 2HG1 VAL 93 0.795 -13.874 -1.682 589 HG13 VAL 93 3HG1 VAL 93 0.339 -12.303 -2.391 590 HG21 VAL 93 3HG2 VAL 93 -0.122 -10.574 0.738 591 HG22 VAL 93 1HG2 VAL 93 1.178 -11.497 1.470 592 HG23 VAL 93 2HG2 VAL 93 1.432 -10.752 -0.106 593 H GLN 94 H GLN 94 -2.147 -11.537 1.789 594 HA GLN 94 HA GLN 94 -4.251 -10.398 0.008 595 HB3 GLN 94 2HB GLN 94 -5.604 -9.896 2.019 596 HG3 GLN 94 2HG GLN 94 -6.198 -12.011 2.931 597 HE21 GLN 94 1HE2 GLN 94 -4.974 -14.211 0.926 598 HE22 GLN 94 2HE2 GLN 94 -6.237 -14.127 -0.289 599 H VAL 95 H VAL 95 -4.714 -8.163 1.596 600 HA VAL 95 HA VAL 95 -2.162 -7.029 2.420 601 HB VAL 95 HB VAL 95 -4.064 -5.598 0.558 602 HG11 VAL 95 1HG1 VAL 95 -1.648 -4.649 2.061 603 HG12 VAL 95 2HG1 VAL 95 -2.398 -3.692 0.749 604 HG13 VAL 95 3HG1 VAL 95 -3.294 -4.034 2.242 605 HG21 VAL 95 3HG2 VAL 95 -2.057 -5.307 -0.939 606 HG22 VAL 95 1HG2 VAL 95 -1.125 -6.344 0.174 607 HG23 VAL 95 2HG2 VAL 95 -2.487 -7.002 -0.731 608 H PHE 96 H PHE 96 -2.480 -5.723 4.200 609 HA PHE 96 HA PHE 96 -5.221 -5.402 5.298 610 HB3 PHE 96 2HB PHE 96 -2.732 -6.024 6.929 611 HD1 PHE 96 2HD PHE 96 -6.283 -7.178 6.599 612 HD2 PHE 96 1HD PHE 96 -3.328 -5.353 9.155 613 HE1 PHE 96 2HE PHE 96 -7.873 -7.266 8.519 614 HE2 PHE 96 1HE PHE 96 -4.923 -5.562 11.089 615 HZ PHE 96 HZ PHE 96 -7.147 -6.477 10.764 616 H ILE 97 H ILE 97 -5.045 -3.859 7.238 617 HA ILE 97 HA ILE 97 -3.019 -1.836 7.124 618 HB ILE 97 HB ILE 97 -4.890 -0.044 6.814 619 HG13 ILE 97 2HG1 ILE 97 -6.819 -1.636 6.791 620 HG21 ILE 97 1HG2 ILE 97 -2.958 -0.665 5.231 621 HG22 ILE 97 2HG2 ILE 97 -4.190 -1.470 4.243 622 HG23 ILE 97 3HG2 ILE 97 -4.307 0.276 4.581 623 HD11 ILE 97 3HD1 ILE 97 -8.074 -0.665 4.996 624 HD12 ILE 97 1HD1 ILE 97 -6.919 0.595 5.489 625 HD13 ILE 97 2HD1 ILE 97 -6.616 -0.391 4.032 626 HA PRO 98 HA PRO 98 -4.742 -1.506 11.219 627 HB3 PRO 98 2HB PRO 98 -2.667 -0.901 11.934 628 HG3 PRO 98 2HG PRO 98 -1.197 0.385 10.626 629 HD3 PRO 98 2HD PRO 98 -1.796 -1.280 9.085 630 H GLN 99 H GLN 99 -6.819 -0.933 11.347 631 HA GLN 99 HA GLN 99 -7.644 1.769 10.681 632 HB3 GLN 99 2HB GLN 99 -9.837 0.726 9.817 633 HG3 GLN 99 2HG GLN 99 -9.072 0.404 7.481 634 HE21 GLN 99 1HE2 GLN 99 -6.529 2.528 7.624 635 HE22 GLN 99 2HE2 GLN 99 -7.414 4.001 7.591 636 H GLY 100 H GLY 100 -9.527 2.379 11.907 637 HA2 GLY 100 1HA GLY 100 -11.133 1.191 13.645 638 HA3 GLY 100 2HA GLY 100 -9.597 1.057 14.530 639 H GLU 101 H GLU 101 -8.610 2.902 15.343 640 HA GLU 101 HA GLU 101 -10.281 5.322 15.449 641 HB3 GLU 101 2HB GLU 101 -9.992 4.196 17.520 642 HG3 GLU 101 2HG GLU 101 -7.831 4.371 18.795 643 H ILE 102 H ILE 102 -9.480 5.988 13.285 644 HA ILE 102 HA ILE 102 -6.944 7.546 13.551 645 HB ILE 102 HB ILE 102 -6.631 7.208 11.119 646 HG13 ILE 102 2HG1 ILE 102 -7.832 5.901 9.764 647 HG21 ILE 102 1HG2 ILE 102 -5.609 5.009 11.289 648 HG22 ILE 102 2HG2 ILE 102 -5.289 6.036 12.706 649 HG23 ILE 102 3HG2 ILE 102 -6.473 4.726 12.821 650 HD11 ILE 102 3HD1 ILE 102 -9.409 4.085 10.454 651 HD12 ILE 102 1HD1 ILE 102 -7.683 3.775 10.750 652 HD13 ILE 102 2HD1 ILE 102 -8.759 4.212 12.097 653 H ASP 103 H ASP 103 -9.763 8.373 14.065 654 HA ASP 103 HA ASP 103 -9.863 10.552 12.086 655 HB3 ASP 103 2HB ASP 103 -11.913 8.971 12.155 Start of MODEL 17 1 H1 GLY 1 H GLY 1 7.707 30.700 2.944 2 HA2 GLY 1 1HA GLY 1 5.674 30.570 1.600 3 HA3 GLY 1 2HA GLY 1 5.809 29.148 2.657 4 H ALA 2 H ALA 2 3.597 28.793 2.913 5 HA ALA 2 HA ALA 2 2.224 30.693 4.738 6 HB1 ALA 2 1HB ALA 2 0.062 29.874 3.874 7 HB2 ALA 2 2HB ALA 2 0.992 30.642 2.578 8 HB3 ALA 2 3HB ALA 2 0.899 28.865 2.675 9 H GLN 3 H GLN 3 0.528 29.175 6.073 10 HA GLN 3 HA GLN 3 2.296 27.296 7.361 11 HB3 GLN 3 2HB GLN 3 -0.684 27.440 7.895 12 HG3 GLN 3 2HG GLN 3 0.760 25.905 9.237 13 HE21 GLN 3 1HE2 GLN 3 2.727 25.539 10.418 14 HE22 GLN 3 2HE2 GLN 3 3.825 26.842 10.834 15 H ASP 4 H ASP 4 -0.402 27.010 5.027 16 HA ASP 4 HA ASP 4 -0.452 24.070 5.401 17 HB3 ASP 4 2HB ASP 4 -2.654 26.103 5.086 18 H GLY 5 H GLY 5 0.888 25.863 3.354 19 HA2 GLY 5 1HA GLY 5 -0.789 26.105 1.090 20 HA3 GLY 5 2HA GLY 5 0.936 26.472 1.155 21 H LYS 6 H LYS 6 -0.279 23.254 1.864 22 HA LYS 6 HA LYS 6 0.114 22.072 -0.706 23 HB3 LYS 6 2HB LYS 6 2.111 20.678 0.905 24 HG3 LYS 6 2HG LYS 6 2.109 22.131 -1.766 25 HD3 LYS 6 2HD LYS 6 4.408 21.004 -2.045 26 HE3 LYS 6 2HE LYS 6 3.827 23.454 -0.361 27 HZ1 LYS 6 3HZ LYS 6 6.076 22.645 0.204 28 HZ2 LYS 6 1HZ LYS 6 5.990 24.128 -0.445 29 HZ3 LYS 6 2HZ LYS 6 6.556 22.877 -1.354 30 H GLU 7 H GLU 7 -1.744 20.957 -0.428 31 HA GLU 7 HA GLU 7 -2.229 19.498 2.100 32 HB3 GLU 7 2HB GLU 7 -4.585 19.614 1.467 33 HG3 GLU 7 2HG GLU 7 -3.029 22.049 1.907 34 H THR 8 H THR 8 -0.424 18.477 0.179 35 HA THR 8 HA THR 8 -1.690 16.383 -1.407 36 HB THR 8 HB THR 8 0.959 15.845 -1.469 37 HG1 THR 8 1HG THR 8 1.827 17.370 -0.183 38 HG21 THR 8 3HG2 THR 8 -0.424 16.489 -3.404 39 HG22 THR 8 1HG2 THR 8 1.126 17.372 -3.410 40 HG23 THR 8 2HG2 THR 8 -0.364 18.183 -2.867 41 H THR 9 H THR 9 -1.944 14.283 -0.828 42 HA THR 9 HA THR 9 -1.297 13.259 1.814 43 HB THR 9 HB THR 9 -1.977 11.103 0.298 44 HG1 THR 9 1HG THR 9 -2.232 12.004 -1.622 45 HG21 THR 9 3HG2 THR 9 -3.907 13.208 1.308 46 HG22 THR 9 1HG2 THR 9 -3.267 11.783 2.173 47 HG23 THR 9 2HG2 THR 9 -4.361 11.552 0.816 48 H THR 10 H THR 10 -0.049 11.208 1.986 49 HA THR 10 HA THR 10 2.064 10.839 0.023 50 HB THR 10 HB THR 10 2.570 10.769 3.036 51 HG1 THR 10 1HG THR 10 2.256 12.924 2.449 52 HG21 THR 10 3HG2 THR 10 4.159 9.394 1.741 53 HG22 THR 10 1HG2 THR 10 4.970 10.827 2.353 54 HG23 THR 10 2HG2 THR 10 4.475 10.764 0.650 55 H ILE 11 H ILE 11 2.884 8.517 0.196 56 HA ILE 11 HA ILE 11 0.920 6.709 1.461 57 HB ILE 11 HB ILE 11 2.230 6.449 -1.279 58 HG13 ILE 11 2HG1 ILE 11 0.278 8.057 -1.145 59 HG21 ILE 11 1HG2 ILE 11 0.403 4.536 0.263 60 HG22 ILE 11 2HG2 ILE 11 0.805 4.351 -1.459 61 HG23 ILE 11 3HG2 ILE 11 2.073 4.252 -0.270 62 HD11 ILE 11 3HD1 ILE 11 -0.371 5.574 -2.776 63 HD12 ILE 11 1HD1 ILE 11 -1.029 7.190 -2.969 64 HD13 ILE 11 2HD1 ILE 11 0.693 6.913 -3.274 65 H ARG 12 H ARG 12 1.877 4.746 2.217 66 HA ARG 12 HA ARG 12 4.796 4.461 1.889 67 HB3 ARG 12 2HB ARG 12 3.477 3.828 4.541 68 HG3 ARG 12 2HG ARG 12 6.365 4.638 4.062 69 HD3 ARG 12 2HD ARG 12 6.624 2.785 5.831 70 HE ARG 12 HE ARG 12 4.850 4.902 6.956 71 HH11 ARG 12 1HH1 ARG 12 8.177 4.115 5.936 72 HH12 ARG 12 2HH1 ARG 12 8.911 5.213 7.007 73 HH21 ARG 12 1HH2 ARG 12 5.852 6.552 8.192 74 HH22 ARG 12 2HH2 ARG 12 7.586 6.598 8.363 75 H LEU 13 H LEU 13 5.348 2.369 1.512 76 HA LEU 13 HA LEU 13 3.289 0.218 1.886 77 HB3 LEU 13 2HB LEU 13 4.975 -0.928 0.144 78 HG LEU 13 HG LEU 13 3.749 0.202 -1.855 79 HD11 LEU 13 1HD1 LEU 13 3.259 -2.030 -1.171 80 HD12 LEU 13 2HD1 LEU 13 1.727 -1.166 -1.443 81 HD13 LEU 13 3HD1 LEU 13 2.315 -1.473 0.217 82 HD21 LEU 13 3HD2 LEU 13 2.854 2.155 -0.558 83 HD22 LEU 13 1HD2 LEU 13 1.791 1.050 0.311 84 HD23 LEU 13 2HD2 LEU 13 1.621 1.237 -1.439 85 H ILE 14 H ILE 14 3.939 -1.362 3.251 86 HA ILE 14 HA ILE 14 6.758 -1.514 4.158 87 HB ILE 14 HB ILE 14 4.203 -2.149 5.712 88 HG13 ILE 14 2HG1 ILE 14 5.763 0.442 5.585 89 HG21 ILE 14 1HG2 ILE 14 5.657 -2.238 7.670 90 HG22 ILE 14 2HG2 ILE 14 6.174 -3.408 6.493 91 HG23 ILE 14 3HG2 ILE 14 7.088 -1.904 6.654 92 HD11 ILE 14 3HD1 ILE 14 2.874 -0.328 6.178 93 HD12 ILE 14 1HD1 ILE 14 3.470 1.288 6.361 94 HD13 ILE 14 2HD1 ILE 14 3.443 0.563 4.740 95 H ASN 15 H ASN 15 7.378 -3.816 4.653 96 HA ASN 15 HA ASN 15 5.685 -5.814 3.190 97 HB3 ASN 15 2HB ASN 15 8.725 -5.624 3.243 98 HD21 ASN 15 1HD2 ASN 15 9.688 -7.160 1.847 99 HD22 ASN 15 2HD2 ASN 15 8.775 -8.520 1.212 100 H GLN 16 H GLN 16 4.914 -6.159 5.626 101 HA GLN 16 HA GLN 16 6.873 -7.421 7.358 102 HB3 GLN 16 2HB GLN 16 5.073 -7.434 8.983 103 HG3 GLN 16 2HG GLN 16 4.636 -4.717 7.832 104 HE21 GLN 16 1HE2 GLN 16 6.701 -3.639 9.796 105 HE22 GLN 16 2HE2 GLN 16 6.020 -4.000 11.377 106 H THR 17 H THR 17 6.910 -9.065 5.365 107 HA THR 17 HA THR 17 5.184 -11.398 6.122 108 HB THR 17 HB THR 17 5.150 -12.115 3.845 109 HG1 THR 17 1HG THR 17 7.206 -10.385 3.512 110 HG21 THR 17 3HG2 THR 17 3.692 -10.480 2.967 111 HG22 THR 17 1HG2 THR 17 4.424 -9.176 3.909 112 HG23 THR 17 2HG2 THR 17 3.476 -10.473 4.709 113 H TYR 18 H TYR 18 6.340 -13.305 4.601 114 HA TYR 18 HA TYR 18 9.091 -13.618 5.713 115 HB3 TYR 18 2HB TYR 18 7.417 -15.200 6.651 116 HD1 TYR 18 1HD TYR 18 6.041 -15.011 3.685 117 HD2 TYR 18 2HD TYR 18 8.153 -18.078 5.862 118 HE1 TYR 18 1HE TYR 18 4.596 -16.747 2.659 119 HE2 TYR 18 2HE TYR 18 6.814 -19.807 4.723 120 HH TYR 18 HH TYR 18 4.050 -19.088 2.611 121 H PHE 19 H PHE 19 7.799 -12.677 2.875 122 HA PHE 19 HA PHE 19 9.684 -14.252 1.246 123 HB3 PHE 19 2HB PHE 19 7.688 -15.153 0.647 124 HD1 PHE 19 2HD PHE 19 6.933 -11.709 -0.637 125 HD2 PHE 19 1HD PHE 19 5.490 -15.231 1.343 126 HE1 PHE 19 2HE PHE 19 4.810 -10.528 -0.063 127 HE2 PHE 19 1HE PHE 19 3.384 -14.065 1.884 128 HZ PHE 19 HZ PHE 19 3.111 -11.683 1.296 129 H ASN 20 H ASN 20 9.282 -12.618 -1.181 130 HA ASN 20 HA ASN 20 10.134 -9.889 -0.370 131 HB3 ASN 20 2HB ASN 20 11.394 -11.649 -2.539 132 HD21 ASN 20 1HD2 ASN 20 12.246 -10.480 -4.257 133 HD22 ASN 20 2HD2 ASN 20 12.498 -8.763 -4.222 134 H VAL 21 H VAL 21 9.462 -8.271 -2.021 135 HA VAL 21 HA VAL 21 7.538 -9.212 -4.108 136 HB VAL 21 HB VAL 21 6.083 -7.328 -3.555 137 HG11 VAL 21 1HG1 VAL 21 6.273 -9.581 -1.562 138 HG12 VAL 21 2HG1 VAL 21 4.882 -8.502 -1.730 139 HG13 VAL 21 3HG1 VAL 21 5.357 -9.542 -3.081 140 HG21 VAL 21 3HG2 VAL 21 7.491 -7.418 -0.832 141 HG22 VAL 21 1HG2 VAL 21 7.646 -6.096 -1.979 142 HG23 VAL 21 2HG2 VAL 21 6.073 -6.443 -1.226 143 H LYS 22 H LYS 22 7.920 -8.214 -6.008 144 HA LYS 22 HA LYS 22 9.958 -6.028 -6.146 145 HB3 LYS 22 2HB LYS 22 11.113 -8.144 -6.334 146 HG3 LYS 22 2HG LYS 22 10.486 -9.408 -8.633 147 HD3 LYS 22 2HD LYS 22 9.366 -9.857 -5.864 148 HE3 LYS 22 2HE LYS 22 7.723 -10.602 -7.727 149 HZ1 LYS 22 3HZ LYS 22 9.799 -12.734 -7.835 150 HZ2 LYS 22 1HZ LYS 22 9.279 -11.869 -9.122 151 HZ3 LYS 22 2HZ LYS 22 8.279 -12.941 -8.381 152 H ASN 23 H ASN 23 7.028 -5.897 -6.580 153 HA ASN 23 HA ASN 23 6.911 -4.545 -9.064 154 HB3 ASN 23 2HB ASN 23 7.165 -6.660 -10.221 155 HD21 ASN 23 1HD2 ASN 23 4.797 -7.250 -7.622 156 HD22 ASN 23 2HD2 ASN 23 5.349 -8.926 -7.317 157 H ILE 24 H ILE 24 6.000 -3.438 -6.864 158 HA ILE 24 HA ILE 24 3.258 -4.522 -6.351 159 HB ILE 24 HB ILE 24 4.547 -2.380 -4.704 160 HG13 ILE 24 2HG1 ILE 24 6.275 -4.119 -4.697 161 HG21 ILE 24 1HG2 ILE 24 2.998 -3.235 -3.042 162 HG22 ILE 24 2HG2 ILE 24 2.129 -2.988 -4.545 163 HG23 ILE 24 3HG2 ILE 24 2.587 -4.628 -4.064 164 HD11 ILE 24 3HD1 ILE 24 6.562 -4.228 -2.385 165 HD12 ILE 24 1HD1 ILE 24 5.613 -2.768 -2.607 166 HD13 ILE 24 2HD1 ILE 24 4.827 -4.267 -2.043 167 H LYS 25 H LYS 25 1.766 -3.584 -7.677 168 HA LYS 25 HA LYS 25 1.950 -0.720 -8.438 169 HB3 LYS 25 2HB LYS 25 -0.634 -1.490 -8.904 170 HG3 LYS 25 2HG LYS 25 1.405 -2.167 -11.014 171 HD3 LYS 25 2HD LYS 25 -1.175 -2.314 -11.299 172 HE3 LYS 25 2HE LYS 25 -0.941 0.676 -11.725 173 HZ1 LYS 25 3HZ LYS 25 -3.350 0.532 -11.178 174 HZ2 LYS 25 1HZ LYS 25 -3.231 -1.103 -11.149 175 HZ3 LYS 25 2HZ LYS 25 -2.900 -0.291 -12.530 176 H VAL 26 H VAL 26 0.565 0.829 -7.569 177 HA VAL 26 HA VAL 26 -1.363 -0.012 -5.566 178 HB VAL 26 HB VAL 26 0.742 0.652 -4.372 179 HG11 VAL 26 1HG1 VAL 26 0.107 3.543 -4.836 180 HG12 VAL 26 2HG1 VAL 26 1.596 2.741 -4.330 181 HG13 VAL 26 3HG1 VAL 26 1.131 2.702 -6.013 182 HG21 VAL 26 3HG2 VAL 26 -0.438 1.933 -2.658 183 HG22 VAL 26 1HG2 VAL 26 -1.730 2.321 -3.814 184 HG23 VAL 26 2HG2 VAL 26 -1.482 0.645 -3.299 185 H THR 27 H THR 27 -3.232 1.267 -5.893 186 HA THR 27 HA THR 27 -3.103 3.578 -7.751 187 HB THR 27 HB THR 27 -5.374 1.600 -7.589 188 HG1 THR 27 1HG THR 27 -4.429 0.207 -8.671 189 HG21 THR 27 3HG2 THR 27 -4.529 3.373 -9.905 190 HG22 THR 27 1HG2 THR 27 -5.689 3.848 -8.674 191 HG23 THR 27 2HG2 THR 27 -6.023 2.464 -9.733 192 H TRP 28 H TRP 28 -3.640 5.348 -6.587 193 HA TRP 28 HA TRP 28 -5.095 4.969 -3.996 194 HB3 TRP 28 2HB TRP 28 -2.827 5.738 -3.794 195 HD1 TRP 28 HD TRP 28 -4.047 9.197 -4.970 196 HE1 TRP 28 1HE TRP 28 -2.331 10.141 -6.662 197 HE3 TRP 28 3HE TRP 28 -1.203 5.059 -5.534 198 HZ2 TRP 28 2HZ TRP 28 0.035 9.175 -8.065 199 HZ3 TRP 28 3HZ TRP 28 0.881 5.107 -6.919 200 HH2 TRP 28 HH TRP 28 1.516 7.161 -8.159 201 H ASN 29 H ASN 29 -6.222 5.416 -6.793 202 HA ASN 29 HA ASN 29 -8.270 7.313 -6.244 203 HB3 ASN 29 2HB ASN 29 -6.785 8.523 -8.508 204 HD21 ASN 29 1HD2 ASN 29 -6.678 9.685 -5.154 205 HD22 ASN 29 2HD2 ASN 29 -7.964 10.841 -5.286 206 H ASP 30 H ASP 30 -9.209 7.969 -8.714 207 HA ASP 30 HA ASP 30 -9.738 5.288 -9.826 208 HB3 ASP 30 2HB ASP 30 -11.569 6.942 -9.330 209 H GLY 31 H GLY 31 -7.251 7.261 -10.357 210 HA2 GLY 31 1HA GLY 31 -6.493 6.006 -12.767 211 HA3 GLY 31 2HA GLY 31 -7.066 7.639 -13.150 212 H LYS 32 H LYS 32 -5.248 6.530 -10.255 213 HA LYS 32 HA LYS 32 -2.874 8.047 -11.118 214 HB3 LYS 32 2HB LYS 32 -2.522 8.857 -8.846 215 HG3 LYS 32 2HG LYS 32 -4.173 10.705 -8.735 216 HD3 LYS 32 2HD LYS 32 -1.953 10.610 -10.184 217 HE3 LYS 32 2HE LYS 32 -4.184 10.498 -12.182 218 HZ1 LYS 32 3HZ LYS 32 -3.075 11.870 -13.696 219 HZ2 LYS 32 1HZ LYS 32 -1.729 12.020 -12.783 220 HZ3 LYS 32 2HZ LYS 32 -3.105 12.750 -12.320 221 H GLU 33 H GLU 33 -1.317 6.479 -11.006 222 HA GLU 33 HA GLU 33 -1.158 4.778 -8.694 223 HB3 GLU 33 2HB GLU 33 -2.439 3.232 -9.721 224 HG3 GLU 33 2HG GLU 33 -2.690 4.347 -12.016 225 H GLN 34 H GLN 34 0.691 3.270 -9.097 226 HA GLN 34 HA GLN 34 2.791 3.851 -10.846 227 HB3 GLN 34 2HB GLN 34 3.072 5.852 -9.320 228 HG3 GLN 34 2HG GLN 34 2.923 4.157 -7.120 229 HE21 GLN 34 1HE2 GLN 34 4.500 2.661 -6.224 230 HE22 GLN 34 2HE2 GLN 34 6.210 2.862 -6.593 231 H THR 35 H THR 35 4.713 2.347 -10.316 232 HA THR 35 HA THR 35 4.065 0.395 -8.222 233 HB THR 35 HB THR 35 3.362 -0.903 -9.949 234 HG1 THR 35 1HG THR 35 5.075 -2.403 -10.367 235 HG21 THR 35 3HG2 THR 35 3.771 0.431 -11.819 236 HG22 THR 35 1HG2 THR 35 4.532 -1.133 -12.137 237 HG23 THR 35 2HG2 THR 35 5.547 0.253 -11.639 238 H VAL 36 H VAL 36 5.813 -0.491 -7.135 239 HA VAL 36 HA VAL 36 8.081 1.325 -7.016 240 HB VAL 36 HB VAL 36 8.593 0.057 -5.037 241 HG11 VAL 36 1HG1 VAL 36 5.629 0.707 -5.034 242 HG12 VAL 36 2HG1 VAL 36 6.680 0.635 -3.619 243 HG13 VAL 36 3HG1 VAL 36 6.927 1.905 -4.828 244 HG21 VAL 36 3HG2 VAL 36 7.214 -1.620 -4.086 245 HG22 VAL 36 1HG2 VAL 36 6.357 -1.750 -5.669 246 HG23 VAL 36 2HG2 VAL 36 8.090 -2.136 -5.537 247 H ASN 37 H ASN 37 10.269 0.403 -6.816 248 HA ASN 37 HA ASN 37 11.021 -1.677 -8.701 249 HB3 ASN 37 2HB ASN 37 12.323 0.016 -6.607 250 HD21 ASN 37 1HD2 ASN 37 13.719 -0.882 -5.161 251 HD22 ASN 37 2HD2 ASN 37 14.964 -2.035 -5.606 252 H THR 38 H THR 38 11.681 -1.890 -5.134 253 HA THR 38 HA THR 38 10.390 -4.504 -4.984 254 HB THR 38 HB THR 38 13.408 -4.041 -4.730 255 HG1 THR 38 1HG THR 38 13.152 -4.227 -6.815 256 HG21 THR 38 3HG2 THR 38 13.617 -6.509 -4.604 257 HG22 THR 38 1HG2 THR 38 11.856 -6.661 -4.500 258 HG23 THR 38 2HG2 THR 38 12.773 -5.867 -3.203 259 H LEU 39 H LEU 39 10.511 -5.335 -2.767 260 HA LEU 39 HA LEU 39 11.234 -3.410 -0.695 261 HB3 LEU 39 2HB LEU 39 8.681 -4.890 -0.177 262 HG LEU 39 HG LEU 39 9.252 -3.228 1.482 263 HD11 LEU 39 1HD1 LEU 39 9.584 -1.353 -0.898 264 HD12 LEU 39 2HD1 LEU 39 10.755 -1.685 0.387 265 HD13 LEU 39 3HD1 LEU 39 9.312 -0.780 0.754 266 HD21 LEU 39 3HD2 LEU 39 7.275 -1.849 1.417 267 HD22 LEU 39 1HD2 LEU 39 6.837 -3.406 0.697 268 HD23 LEU 39 2HD2 LEU 39 7.144 -2.011 -0.352 269 H GLY 40 H GLY 40 12.739 -4.469 0.239 270 HA2 GLY 40 1HA GLY 40 13.091 -7.323 0.198 271 HA3 GLY 40 2HA GLY 40 13.988 -6.158 1.199 272 H SER 41 H SER 41 13.650 -8.294 2.645 273 HA SER 41 HA SER 41 11.010 -8.863 3.597 274 HB3 SER 41 2HB SER 41 12.341 -10.682 3.819 275 HG SER 41 HG SER 41 14.556 -10.238 4.866 276 H HIS 42 H HIS 42 9.825 -7.826 5.073 277 HA HIS 42 HA HIS 42 9.132 -6.313 6.512 278 HB3 HIS 42 2HB HIS 42 11.026 -5.854 8.452 279 HD1 HIS 42 1HD HIS 42 8.660 -5.606 9.671 280 HD2 HIS 42 2HD HIS 42 9.555 -9.412 8.112 281 HE1 HIS 42 1HE HIS 42 6.963 -7.225 10.697 282 H ASP 43 H ASP 43 10.963 -5.403 4.130 283 HA ASP 43 HA ASP 43 12.032 -2.922 5.039 284 HB3 ASP 43 2HB ASP 43 11.307 -3.043 2.167 285 H SER 44 H SER 44 11.372 -0.958 3.543 286 HA SER 44 HA SER 44 8.535 -0.596 3.237 287 HB3 SER 44 2HB SER 44 8.581 -0.212 5.585 288 HG SER 44 HG SER 44 10.874 0.306 5.704 289 H ILE 45 H ILE 45 8.002 1.458 2.253 290 HA ILE 45 HA ILE 45 10.154 3.043 1.080 291 HB ILE 45 HB ILE 45 10.021 1.138 -0.438 292 HG13 ILE 45 2HG1 ILE 45 10.507 3.362 -1.332 293 HG21 ILE 45 1HG2 ILE 45 8.057 0.440 -1.623 294 HG22 ILE 45 2HG2 ILE 45 7.561 0.561 0.060 295 HG23 ILE 45 3HG2 ILE 45 7.138 1.858 -1.072 296 HD11 ILE 45 3HD1 ILE 45 10.022 2.979 -3.668 297 HD12 ILE 45 1HD1 ILE 45 10.533 1.458 -2.899 298 HD13 ILE 45 2HD1 ILE 45 8.829 1.719 -3.284 299 H ASP 46 H ASP 46 9.357 4.999 0.375 300 HA ASP 46 HA ASP 46 6.622 5.766 1.238 301 HB3 ASP 46 2HB ASP 46 7.502 6.712 3.072 302 H PHE 47 H PHE 47 5.631 6.966 -0.258 303 HA PHE 47 HA PHE 47 7.199 8.560 -2.142 304 HB3 PHE 47 2HB PHE 47 7.358 6.486 -3.351 305 HD1 PHE 47 2HD PHE 47 6.683 4.583 -1.919 306 HD2 PHE 47 1HD PHE 47 3.855 6.770 -4.325 307 HE1 PHE 47 2HE PHE 47 5.032 2.763 -1.619 308 HE2 PHE 47 1HE PHE 47 2.210 4.959 -4.026 309 HZ PHE 47 HZ PHE 47 2.799 2.946 -2.653 310 H SER 48 H SER 48 5.779 9.841 -3.593 311 HA SER 48 HA SER 48 3.718 11.051 -2.031 312 HB3 SER 48 2HB SER 48 5.031 12.504 -3.282 313 HG SER 48 HG SER 48 4.882 10.553 -5.317 314 H SER 49 H SER 49 1.534 11.604 -2.940 315 HA SER 49 HA SER 49 0.514 9.764 -5.020 316 HB3 SER 49 2HB SER 49 -0.635 9.317 -2.893 317 HG SER 49 HG SER 49 -0.580 12.116 -2.776 318 H ASP 50 H ASP 50 0.147 10.993 -6.859 319 HA ASP 50 HA ASP 50 0.313 13.868 -6.952 320 HB3 ASP 50 2HB ASP 50 -0.787 11.906 -8.967 321 H ALA 51 H ALA 51 -1.597 13.508 -5.021 322 HA ALA 51 HA ALA 51 -4.132 14.414 -6.144 323 HB1 ALA 51 1HB ALA 51 -5.422 12.613 -5.095 324 HB2 ALA 51 2HB ALA 51 -4.275 11.926 -6.263 325 HB3 ALA 51 3HB ALA 51 -3.929 11.844 -4.511 326 H GLY 52 H GLY 52 -5.568 15.096 -4.370 327 HA2 GLY 52 1HA GLY 52 -4.026 16.138 -2.050 328 HA3 GLY 52 2HA GLY 52 -5.550 16.759 -2.692 329 H SER 53 H SER 53 -6.170 13.494 -2.674 330 HA SER 53 HA SER 53 -6.293 12.943 0.114 331 HB3 SER 53 2HB SER 53 -8.275 14.146 0.316 332 HG SER 53 HG SER 53 -9.562 13.135 -1.949 333 H VAL 54 H VAL 54 -7.070 10.745 0.470 334 HA VAL 54 HA VAL 54 -7.270 9.040 -1.920 335 HB VAL 54 HB VAL 54 -5.162 8.698 0.263 336 HG11 VAL 54 1HG1 VAL 54 -5.882 6.905 -2.096 337 HG12 VAL 54 2HG1 VAL 54 -4.473 6.684 -1.021 338 HG13 VAL 54 3HG1 VAL 54 -6.092 6.506 -0.376 339 HG21 VAL 54 3HG2 VAL 54 -4.852 9.218 -2.718 340 HG22 VAL 54 1HG2 VAL 54 -4.390 10.302 -1.396 341 HG23 VAL 54 2HG2 VAL 54 -3.524 8.788 -1.602 342 H TYR 55 H TYR 55 -9.365 8.544 -1.445 343 HA TYR 55 HA TYR 55 -9.986 7.368 1.207 344 HB3 TYR 55 2HB TYR 55 -11.523 9.057 0.338 345 HD1 TYR 55 2HD TYR 55 -10.531 7.575 -2.523 346 HD2 TYR 55 1HD TYR 55 -14.230 8.345 -0.487 347 HE1 TYR 55 2HE TYR 55 -11.580 7.771 -4.648 348 HE2 TYR 55 1HE TYR 55 -15.377 8.523 -2.683 349 HH TYR 55 HH TYR 55 -13.584 8.068 -5.782 350 H LYS 56 H LYS 56 -8.703 6.207 -1.698 351 HA LYS 56 HA LYS 56 -9.578 3.491 -1.063 352 HB3 LYS 56 2HB LYS 56 -11.211 4.250 -2.730 353 HG3 LYS 56 2HG LYS 56 -8.890 4.621 -4.691 354 HD3 LYS 56 2HD LYS 56 -10.834 5.880 -5.900 355 HE3 LYS 56 2HE LYS 56 -10.646 2.841 -5.862 356 HZ1 LYS 56 3HZ LYS 56 -12.331 4.652 -7.425 357 HZ2 LYS 56 1HZ LYS 56 -12.619 3.100 -6.922 358 HZ3 LYS 56 2HZ LYS 56 -11.639 3.373 -8.207 359 H MET 57 H MET 57 -8.124 1.932 -1.699 360 HA MET 57 HA MET 57 -5.605 2.730 -3.036 361 HB3 MET 57 2HB MET 57 -5.649 1.647 -0.183 362 HG3 MET 57 2HG MET 57 -3.559 1.887 -2.325 363 HE1 MET 57 3HE MET 57 -1.689 4.737 -0.613 364 HE2 MET 57 1HE MET 57 -2.087 3.964 -2.159 365 HE3 MET 57 2HE MET 57 -3.381 4.610 -1.118 366 H ASP 58 H ASP 58 -5.770 1.351 -4.621 367 HA ASP 58 HA ASP 58 -6.537 -1.486 -4.181 368 HB3 ASP 58 2HB ASP 58 -6.689 0.381 -6.463 369 H VAL 59 H VAL 59 -5.033 -2.771 -3.777 370 HA VAL 59 HA VAL 59 -2.196 -2.031 -4.380 371 HB VAL 59 HB VAL 59 -1.521 -3.369 -2.658 372 HG11 VAL 59 1HG1 VAL 59 -3.033 -1.452 -1.796 373 HG12 VAL 59 2HG1 VAL 59 -4.146 -2.800 -1.361 374 HG13 VAL 59 3HG1 VAL 59 -2.514 -2.716 -0.664 375 HG21 VAL 59 3HG2 VAL 59 -4.052 -4.849 -2.507 376 HG22 VAL 59 1HG2 VAL 59 -2.566 -5.464 -3.264 377 HG23 VAL 59 2HG2 VAL 59 -2.605 -5.153 -1.522 378 H THR 60 H THR 60 -1.081 -3.584 -5.758 379 HA THR 60 HA THR 60 -2.275 -6.180 -6.072 380 HB THR 60 HB THR 60 -3.558 -5.706 -7.792 381 HG1 THR 60 1HG THR 60 -2.716 -6.181 -9.607 382 HG21 THR 60 3HG2 THR 60 -3.620 -3.378 -7.612 383 HG22 THR 60 1HG2 THR 60 -3.384 -3.743 -9.323 384 HG23 THR 60 2HG2 THR 60 -2.008 -3.182 -8.320 385 H GLY 61 H GLY 61 -0.595 -7.376 -5.746 386 HA2 GLY 61 1HA GLY 61 1.909 -6.777 -7.216 387 HA3 GLY 61 2HA GLY 61 2.034 -6.768 -5.449 388 H THR 62 H THR 62 3.623 -8.478 -6.561 389 HA THR 62 HA THR 62 2.382 -11.115 -6.330 390 HB THR 62 HB THR 62 4.448 -10.487 -8.438 391 HG1 THR 62 1HG THR 62 2.448 -10.495 -9.840 392 HG21 THR 62 3HG2 THR 62 3.478 -12.494 -9.510 393 HG22 THR 62 1HG2 THR 62 2.285 -12.642 -8.188 394 HG23 THR 62 2HG2 THR 62 4.013 -12.828 -7.854 395 H THR 63 H THR 63 3.620 -12.542 -5.142 396 HA THR 63 HA THR 63 5.947 -11.565 -3.720 397 HB THR 63 HB THR 63 5.790 -13.541 -2.456 398 HG1 THR 63 1HG THR 63 4.551 -15.278 -3.046 399 HG21 THR 63 3HG2 THR 63 3.657 -13.381 -1.578 400 HG22 THR 63 1HG2 THR 63 2.864 -13.108 -3.142 401 HG23 THR 63 2HG2 THR 63 3.819 -11.818 -2.372 402 H GLN 64 H GLN 64 7.829 -12.919 -3.387 403 HA GLN 64 HA GLN 64 9.500 -13.510 -5.477 404 HB3 GLN 64 2HB GLN 64 9.537 -15.159 -3.007 405 HG3 GLN 64 2HG GLN 64 11.548 -13.610 -4.719 406 HE21 GLN 64 1HE2 GLN 64 11.313 -16.357 -2.345 407 HE22 GLN 64 2HE2 GLN 64 12.645 -15.745 -1.420 408 H SER 65 H SER 65 7.227 -15.686 -3.800 409 HA SER 65 HA SER 65 7.595 -17.899 -5.650 410 HB3 SER 65 2HB SER 65 5.449 -18.560 -4.049 411 HG SER 65 HG SER 65 7.192 -19.477 -2.773 412 H GLY 66 H GLY 66 6.204 -15.091 -6.324 413 HA2 GLY 66 1HA GLY 66 5.119 -14.636 -8.270 414 HA3 GLY 66 2HA GLY 66 4.935 -16.371 -8.526 415 H GLU 67 H GLU 67 3.664 -15.222 -5.454 416 HA GLU 67 HA GLU 67 0.947 -15.928 -6.402 417 HB3 GLU 67 2HB GLU 67 0.620 -15.756 -3.828 418 HG3 GLU 67 2HG GLU 67 2.569 -17.828 -4.856 419 H LYS 68 H LYS 68 -0.644 -14.520 -6.408 420 HA LYS 68 HA LYS 68 0.237 -11.755 -6.384 421 HB3 LYS 68 2HB LYS 68 -0.263 -12.914 -8.476 422 HG3 LYS 68 2HG LYS 68 -3.178 -12.892 -7.534 423 HD3 LYS 68 2HD LYS 68 -3.608 -14.000 -9.683 424 HE3 LYS 68 2HE LYS 68 -2.350 -11.214 -9.902 425 HZ1 LYS 68 3HZ LYS 68 -4.319 -12.598 -11.604 426 HZ2 LYS 68 1HZ LYS 68 -2.775 -12.234 -12.029 427 HZ3 LYS 68 2HZ LYS 68 -3.871 -11.018 -11.775 428 H PHE 69 H PHE 69 -0.736 -10.351 -5.219 429 HA PHE 69 HA PHE 69 -3.139 -11.190 -3.614 430 HB3 PHE 69 2HB PHE 69 -1.282 -11.153 -2.193 431 HD1 PHE 69 1HD PHE 69 0.949 -10.805 -3.261 432 HD2 PHE 69 2HD PHE 69 -1.635 -7.482 -2.062 433 HE1 PHE 69 1HE PHE 69 2.893 -9.265 -3.377 434 HE2 PHE 69 2HE PHE 69 0.320 -5.930 -2.560 435 HZ PHE 69 HZ PHE 69 2.613 -6.873 -3.032 436 H THR 70 H THR 70 -4.799 -9.754 -3.525 437 HA THR 70 HA THR 70 -4.404 -7.016 -4.551 438 HB THR 70 HB THR 70 -6.610 -7.079 -5.607 439 HG1 THR 70 1HG THR 70 -7.089 -9.226 -4.520 440 HG21 THR 70 3HG2 THR 70 -4.720 -9.021 -6.950 441 HG22 THR 70 1HG2 THR 70 -4.573 -7.245 -6.929 442 HG23 THR 70 2HG2 THR 70 -5.982 -7.991 -7.702 443 H GLY 71 H GLY 71 -5.340 -5.649 -3.355 444 HA2 GLY 71 1HA GLY 71 -6.757 -6.622 -0.918 445 HA3 GLY 71 2HA GLY 71 -5.865 -5.161 -0.987 446 H HIS 72 H HIS 72 -6.635 -3.699 -2.282 447 HA HIS 72 HA HIS 72 -8.138 -2.192 -3.423 448 HB3 HIS 72 2HB HIS 72 -10.134 -2.766 -4.391 449 HD1 HIS 72 1HD HIS 72 -8.571 -2.956 -6.674 450 HD2 HIS 72 2HD HIS 72 -9.175 -6.430 -4.364 451 HE1 HIS 72 1HE HIS 72 -8.270 -4.902 -8.218 452 H PHE 73 H PHE 73 -7.805 -1.314 -1.228 453 HA PHE 73 HA PHE 73 -10.014 -1.554 0.667 454 HB3 PHE 73 2HB PHE 73 -8.627 -0.010 1.974 455 HD1 PHE 73 2HD PHE 73 -8.849 -2.273 3.028 456 HD2 PHE 73 1HD PHE 73 -5.896 -1.505 -0.007 457 HE1 PHE 73 2HE PHE 73 -7.656 -4.368 3.648 458 HE2 PHE 73 1HE PHE 73 -4.887 -3.760 0.442 459 HZ PHE 73 HZ PHE 73 -5.669 -5.122 2.249 460 H LYS 74 H LYS 74 -11.356 0.225 1.252 461 HA LYS 74 HA LYS 74 -11.559 2.571 -0.511 462 HB3 LYS 74 2HB LYS 74 -14.172 1.823 -0.662 463 HG3 LYS 74 2HG LYS 74 -13.353 0.459 -2.872 464 HD3 LYS 74 2HD LYS 74 -12.967 2.878 -3.904 465 HE3 LYS 74 2HE LYS 74 -15.568 1.790 -2.788 466 HZ1 LYS 74 3HZ LYS 74 -16.533 3.164 -4.628 467 HZ2 LYS 74 1HZ LYS 74 -15.168 3.996 -4.727 468 HZ3 LYS 74 2HZ LYS 74 -16.007 4.027 -3.316 469 H GLY 75 H GLY 75 -13.109 4.091 0.356 470 HA2 GLY 75 1HA GLY 75 -14.160 5.217 2.048 471 HA3 GLY 75 2HA GLY 75 -14.531 3.659 2.809 472 H LEU 76 H LEU 76 -11.267 4.840 2.038 473 HA LEU 76 HA LEU 76 -10.262 4.291 4.708 474 HB3 LEU 76 2HB LEU 76 -8.197 5.459 3.846 475 HG LEU 76 HG LEU 76 -9.377 3.356 1.981 476 HD11 LEU 76 1HD1 LEU 76 -7.118 3.183 1.009 477 HD12 LEU 76 2HD1 LEU 76 -6.598 4.580 1.984 478 HD13 LEU 76 3HD1 LEU 76 -7.806 4.795 0.723 479 HD21 LEU 76 3HD2 LEU 76 -7.163 3.286 4.092 480 HD22 LEU 76 1HD2 LEU 76 -7.622 1.936 3.034 481 HD23 LEU 76 2HD2 LEU 76 -8.771 2.548 4.227 482 H VAL 77 H VAL 77 -9.065 6.051 5.932 483 HA VAL 77 HA VAL 77 -10.308 8.708 5.794 484 HB VAL 77 HB VAL 77 -9.757 7.343 8.451 485 HG11 VAL 77 1HG1 VAL 77 -11.321 9.020 9.329 486 HG12 VAL 77 2HG1 VAL 77 -9.930 9.754 8.556 487 HG13 VAL 77 3HG1 VAL 77 -11.499 9.717 7.704 488 HG21 VAL 77 3HG2 VAL 77 -12.184 6.924 8.715 489 HG22 VAL 77 1HG2 VAL 77 -12.416 7.302 6.990 490 HG23 VAL 77 2HG2 VAL 77 -11.443 5.895 7.493 491 H GLY 78 H GLY 78 -8.800 10.321 6.732 492 HA2 GLY 78 1HA GLY 78 -6.824 11.010 7.729 493 HA3 GLY 78 2HA GLY 78 -6.068 9.445 7.388 494 H LYS 79 H LYS 79 -4.974 12.063 6.965 495 HA LYS 79 HA LYS 79 -4.874 12.374 4.032 496 HB3 LYS 79 2HB LYS 79 -3.248 14.054 5.934 497 HG3 LYS 79 2HG LYS 79 -4.731 14.477 3.324 498 HD3 LYS 79 2HD LYS 79 -4.995 16.530 4.682 499 HE3 LYS 79 2HE LYS 79 -2.504 17.769 4.358 500 HZ1 LYS 79 3HZ LYS 79 -4.086 18.104 6.170 501 HZ2 LYS 79 1HZ LYS 79 -2.549 18.067 6.681 502 HZ3 LYS 79 2HZ LYS 79 -3.480 16.760 6.958 503 H ASP 80 H ASP 80 -3.730 9.978 5.604 504 HA ASP 80 HA ASP 80 -1.428 9.851 3.881 505 HB3 ASP 80 2HB ASP 80 -0.378 10.358 6.106 506 H THR 81 H THR 81 -0.876 7.604 3.470 507 HA THR 81 HA THR 81 -2.934 5.645 4.287 508 HB THR 81 HB THR 81 -1.915 5.476 1.488 509 HG1 THR 81 1HG THR 81 -3.949 7.358 2.162 510 HG21 THR 81 3HG2 THR 81 -4.276 4.747 1.149 511 HG22 THR 81 1HG2 THR 81 -4.609 5.155 2.843 512 HG23 THR 81 2HG2 THR 81 -3.468 3.845 2.456 513 H ARG 82 H ARG 82 -2.181 3.603 4.610 514 HA ARG 82 HA ARG 82 0.643 3.012 3.892 515 HB3 ARG 82 2HB ARG 82 0.919 1.761 6.004 516 HG3 ARG 82 2HG ARG 82 0.008 4.578 6.674 517 HD3 ARG 82 2HD ARG 82 2.269 2.897 7.822 518 HE ARG 82 HE ARG 82 1.750 5.648 7.921 519 HH11 ARG 82 1HH1 ARG 82 2.246 3.091 10.323 520 HH12 ARG 82 2HH1 ARG 82 1.956 4.115 11.684 521 HH21 ARG 82 1HH2 ARG 82 1.868 7.089 9.694 522 HH22 ARG 82 2HH2 ARG 82 2.021 6.516 11.316 523 H VAL 83 H VAL 83 0.969 0.566 4.012 524 HA VAL 83 HA VAL 83 -1.465 -1.025 3.526 525 HB VAL 83 HB VAL 83 0.977 -0.875 1.724 526 HG11 VAL 83 1HG1 VAL 83 -1.492 -2.647 1.622 527 HG12 VAL 83 2HG1 VAL 83 -0.299 -2.533 0.320 528 HG13 VAL 83 3HG1 VAL 83 0.178 -3.185 1.889 529 HG21 VAL 83 3HG2 VAL 83 -0.628 -0.231 -0.086 530 HG22 VAL 83 1HG2 VAL 83 -1.912 -0.096 1.144 531 HG23 VAL 83 2HG2 VAL 83 -0.504 0.982 1.174 532 H PHE 84 H PHE 84 -1.260 -2.851 4.884 533 HA PHE 84 HA PHE 84 1.494 -3.585 5.721 534 HB3 PHE 84 2HB PHE 84 0.357 -4.847 7.506 535 HD1 PHE 84 1HD PHE 84 1.762 -1.958 7.010 536 HD2 PHE 84 2HD PHE 84 -1.509 -3.427 9.386 537 HE1 PHE 84 1HE PHE 84 2.036 -0.059 8.558 538 HE2 PHE 84 2HE PHE 84 -1.088 -1.664 11.043 539 HZ PHE 84 HZ PHE 84 0.655 0.056 10.631 540 H ILE 85 H ILE 85 2.098 -5.756 5.254 541 HA ILE 85 HA ILE 85 0.357 -7.347 3.432 542 HB ILE 85 HB ILE 85 3.374 -7.014 3.213 543 HG13 ILE 85 2HG1 ILE 85 2.425 -4.821 2.687 544 HG21 ILE 85 1HG2 ILE 85 2.135 -9.081 2.393 545 HG22 ILE 85 2HG2 ILE 85 1.297 -8.071 1.236 546 HG23 ILE 85 3HG2 ILE 85 3.076 -8.254 1.152 547 HD11 ILE 85 3HD1 ILE 85 4.164 -5.675 1.067 548 HD12 ILE 85 1HD1 ILE 85 2.827 -6.170 -0.002 549 HD13 ILE 85 2HD1 ILE 85 3.041 -4.463 0.413 550 H GLU 86 H GLU 86 -0.064 -9.147 4.502 551 HA GLU 86 HA GLU 86 1.833 -10.472 6.259 552 HB3 GLU 86 2HB GLU 86 0.890 -8.864 7.855 553 HG3 GLU 86 2HG GLU 86 -1.807 -9.729 6.721 554 H LEU 87 H LEU 87 0.677 -12.521 7.071 555 HA LEU 87 HA LEU 87 -0.255 -13.622 4.540 556 HB3 LEU 87 2HB LEU 87 0.366 -15.767 5.386 557 HG LEU 87 HG LEU 87 2.438 -13.742 6.326 558 HD11 LEU 87 1HD1 LEU 87 2.733 -16.085 7.252 559 HD12 LEU 87 2HD1 LEU 87 4.071 -15.514 6.225 560 HD13 LEU 87 3HD1 LEU 87 2.875 -16.645 5.584 561 HD21 LEU 87 3HD2 LEU 87 3.541 -14.215 4.165 562 HD22 LEU 87 1HD2 LEU 87 1.948 -13.473 3.937 563 HD23 LEU 87 2HD2 LEU 87 2.146 -15.213 3.681 564 H ASP 88 H ASP 88 -1.697 -15.473 4.591 565 HA ASP 88 HA ASP 88 -4.171 -15.192 6.246 566 HB3 ASP 88 2HB ASP 88 -3.713 -17.394 4.246 567 H GLU 89 H GLU 89 -4.956 -17.563 6.797 568 HA GLU 89 HA GLU 89 -3.382 -18.732 8.817 569 HB3 GLU 89 2HB GLU 89 -5.859 -18.914 8.445 570 HG3 GLU 89 2HG GLU 89 -5.190 -21.362 6.760 571 H ASN 90 H ASN 90 -3.641 -19.659 5.356 572 HA ASN 90 HA ASN 90 -2.056 -22.054 5.724 573 HB3 ASN 90 2HB ASN 90 -2.206 -22.374 3.352 574 HD21 ASN 90 1HD2 ASN 90 -4.745 -20.629 2.426 575 HD22 ASN 90 2HD2 ASN 90 -6.073 -21.511 3.190 576 H ALA 91 H ALA 91 -0.951 -18.986 5.909 577 HA ALA 91 HA ALA 91 0.826 -17.803 5.396 578 HB1 ALA 91 1HB ALA 91 2.257 -20.273 4.369 579 HB2 ALA 91 2HB ALA 91 2.966 -18.735 4.855 580 HB3 ALA 91 3HB ALA 91 2.191 -19.766 6.070 581 H ASP 92 H ASP 92 -1.399 -18.103 3.668 582 HA ASP 92 HA ASP 92 -0.446 -17.764 0.883 583 HB3 ASP 92 2HB ASP 92 -2.865 -17.057 0.522 584 H VAL 93 H VAL 93 -1.397 -15.573 -0.054 585 HA VAL 93 HA VAL 93 -0.018 -13.544 1.596 586 HB VAL 93 HB VAL 93 -0.406 -13.730 -1.418 587 HG11 VAL 93 1HG1 VAL 93 1.440 -12.038 0.271 588 HG12 VAL 93 2HG1 VAL 93 1.415 -12.066 -1.495 589 HG13 VAL 93 3HG1 VAL 93 0.063 -11.410 -0.547 590 HG21 VAL 93 3HG2 VAL 93 1.835 -14.557 -1.544 591 HG22 VAL 93 1HG2 VAL 93 2.015 -14.488 0.239 592 HG23 VAL 93 2HG2 VAL 93 0.922 -15.646 -0.538 593 H GLN 94 H GLN 94 -1.379 -12.224 2.601 594 HA GLN 94 HA GLN 94 -3.638 -11.036 1.030 595 HB3 GLN 94 2HB GLN 94 -4.945 -10.774 2.970 596 HG3 GLN 94 2HG GLN 94 -5.439 -12.963 3.714 597 HE21 GLN 94 1HE2 GLN 94 -3.809 -15.074 1.954 598 HE22 GLN 94 2HE2 GLN 94 -4.386 -14.813 0.322 599 H VAL 95 H VAL 95 -4.355 -8.934 2.194 600 HA VAL 95 HA VAL 95 -2.186 -7.069 2.710 601 HB VAL 95 HB VAL 95 -2.665 -6.561 0.447 602 HG11 VAL 95 1HG1 VAL 95 -5.465 -6.440 0.688 603 HG12 VAL 95 2HG1 VAL 95 -4.232 -6.504 -0.712 604 HG13 VAL 95 3HG1 VAL 95 -4.555 -7.878 0.204 605 HG21 VAL 95 3HG2 VAL 95 -1.991 -4.937 1.955 606 HG22 VAL 95 1HG2 VAL 95 -2.936 -4.359 0.629 607 HG23 VAL 95 2HG2 VAL 95 -3.641 -4.471 2.270 608 H PHE 96 H PHE 96 -2.617 -5.678 4.339 609 HA PHE 96 HA PHE 96 -5.293 -5.513 5.572 610 HB3 PHE 96 2HB PHE 96 -2.738 -5.735 7.188 611 HD1 PHE 96 1HD PHE 96 -5.721 -7.856 7.582 612 HD2 PHE 96 2HD PHE 96 -3.742 -4.272 8.977 613 HE1 PHE 96 1HE PHE 96 -7.309 -7.716 9.466 614 HE2 PHE 96 2HE PHE 96 -5.323 -4.188 10.896 615 HZ PHE 96 HZ PHE 96 -7.114 -5.883 11.128 616 H ILE 97 H ILE 97 -5.197 -3.561 7.215 617 HA ILE 97 HA ILE 97 -3.143 -1.621 6.589 618 HB ILE 97 HB ILE 97 -5.116 0.119 6.260 619 HG13 ILE 97 2HG1 ILE 97 -6.931 -1.595 6.499 620 HG21 ILE 97 1HG2 ILE 97 -4.315 -1.495 3.833 621 HG22 ILE 97 2HG2 ILE 97 -4.622 0.259 3.974 622 HG23 ILE 97 3HG2 ILE 97 -3.202 -0.430 4.720 623 HD11 ILE 97 3HD1 ILE 97 -6.839 -0.299 3.753 624 HD12 ILE 97 1HD1 ILE 97 -8.292 -0.705 4.700 625 HD13 ILE 97 2HD1 ILE 97 -7.213 0.599 5.244 626 HA PRO 98 HA PRO 98 -4.153 -0.374 10.741 627 HB3 PRO 98 2HB PRO 98 -2.038 0.468 10.886 628 HG3 PRO 98 2HG PRO 98 -0.974 1.474 9.028 629 HD3 PRO 98 2HD PRO 98 -1.714 -0.534 8.048 630 H GLN 99 H GLN 99 -6.288 0.231 11.122 631 HA GLN 99 HA GLN 99 -7.314 2.775 10.153 632 HB3 GLN 99 2HB GLN 99 -9.468 1.661 9.631 633 HG3 GLN 99 2HG GLN 99 -8.949 0.322 7.596 634 HE21 GLN 99 1HE2 GLN 99 -6.302 2.668 7.654 635 HE22 GLN 99 2HE2 GLN 99 -7.119 3.844 6.643 636 H GLY 100 H GLY 100 -9.754 2.696 11.400 637 HA2 GLY 100 1HA GLY 100 -10.890 2.014 13.413 638 HA3 GLY 100 2HA GLY 100 -9.317 1.713 14.192 639 H GLU 101 H GLU 101 -7.765 3.445 14.209 640 HA GLU 101 HA GLU 101 -8.988 6.143 14.394 641 HB3 GLU 101 2HB GLU 101 -6.639 5.128 16.053 642 HG3 GLU 101 2HG GLU 101 -8.606 7.426 16.327 643 H ILE 102 H ILE 102 -8.472 6.287 12.012 644 HA ILE 102 HA ILE 102 -5.773 7.238 11.692 645 HB ILE 102 HB ILE 102 -6.168 5.018 10.632 646 HG13 ILE 102 2HG1 ILE 102 -4.727 6.978 9.915 647 HG21 ILE 102 1HG2 ILE 102 -7.944 6.268 8.566 648 HG22 ILE 102 2HG2 ILE 102 -7.681 4.573 8.943 649 HG23 ILE 102 3HG2 ILE 102 -8.670 5.548 10.024 650 HD11 ILE 102 3HD1 ILE 102 -5.290 4.765 7.909 651 HD12 ILE 102 1HD1 ILE 102 -3.833 5.773 7.934 652 HD13 ILE 102 2HD1 ILE 102 -4.164 4.669 9.283 653 H ASP 103 H ASP 103 -8.040 8.493 12.753 654 HA ASP 103 HA ASP 103 -9.365 10.162 10.759 655 HB3 ASP 103 2HB ASP 103 -10.349 9.221 13.014 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -7.676 26.112 -4.255 2 HA2 GLY 1 1HA GLY 1 -6.258 24.501 -5.382 3 HA3 GLY 1 2HA GLY 1 -5.818 26.145 -5.881 4 H ALA 2 H ALA 2 -4.332 23.389 -5.299 5 HA ALA 2 HA ALA 2 -2.250 24.429 -3.429 6 HB1 ALA 2 1HB ALA 2 -1.905 22.107 -2.761 7 HB2 ALA 2 2HB ALA 2 -3.566 22.603 -2.445 8 HB3 ALA 2 3HB ALA 2 -3.209 21.568 -3.848 9 H GLN 3 H GLN 3 -1.742 25.425 -5.618 10 HA GLN 3 HA GLN 3 -0.819 24.056 -7.874 11 HB3 GLN 3 2HB GLN 3 0.732 26.044 -8.168 12 HG3 GLN 3 2HG GLN 3 -2.221 26.383 -7.631 13 HE21 GLN 3 1HE2 GLN 3 -0.411 28.682 -9.664 14 HE22 GLN 3 2HE2 GLN 3 -0.712 30.025 -8.577 15 H ASP 4 H ASP 4 1.044 25.073 -5.009 16 HA ASP 4 HA ASP 4 2.474 22.591 -4.832 17 HB3 ASP 4 2HB ASP 4 4.054 25.139 -5.422 18 H GLY 5 H GLY 5 1.206 22.691 -2.881 19 HA2 GLY 5 1HA GLY 5 1.612 25.000 -1.059 20 HA3 GLY 5 2HA GLY 5 0.225 23.896 -1.102 21 H LYS 6 H LYS 6 0.856 23.774 1.183 22 HA LYS 6 HA LYS 6 2.724 21.486 1.656 23 HB3 LYS 6 2HB LYS 6 2.480 23.865 3.537 24 HG3 LYS 6 2HG LYS 6 4.087 21.255 3.603 25 HD3 LYS 6 2HD LYS 6 4.818 22.224 5.868 26 HE3 LYS 6 2HE LYS 6 6.083 23.501 3.406 27 HZ1 LYS 6 3HZ LYS 6 7.163 22.558 5.999 28 HZ2 LYS 6 1HZ LYS 6 7.075 24.124 5.460 29 HZ3 LYS 6 2HZ LYS 6 8.090 23.033 4.733 30 H GLU 7 H GLU 7 0.619 20.554 1.066 31 HA GLU 7 HA GLU 7 -0.930 19.797 3.416 32 HB3 GLU 7 2HB GLU 7 -3.062 20.142 2.076 33 HG3 GLU 7 2HG GLU 7 -1.627 22.757 2.636 34 H THR 8 H THR 8 1.010 18.411 2.375 35 HA THR 8 HA THR 8 -0.102 16.584 0.315 36 HB THR 8 HB THR 8 2.410 15.919 0.165 37 HG1 THR 8 1HG THR 8 3.131 17.157 1.972 38 HG21 THR 8 3HG2 THR 8 1.408 18.651 -0.774 39 HG22 THR 8 1HG2 THR 8 1.209 17.108 -1.625 40 HG23 THR 8 2HG2 THR 8 2.821 17.788 -1.417 41 H THR 9 H THR 9 0.616 14.313 0.453 42 HA THR 9 HA THR 9 0.338 13.213 3.189 43 HB THR 9 HB THR 9 -0.795 11.331 1.728 44 HG1 THR 9 1HG THR 9 -1.875 13.371 0.196 45 HG21 THR 9 3HG2 THR 9 -2.977 12.237 2.172 46 HG22 THR 9 1HG2 THR 9 -2.264 13.864 2.448 47 HG23 THR 9 2HG2 THR 9 -1.837 12.493 3.503 48 H THR 10 H THR 10 1.251 11.077 3.406 49 HA THR 10 HA THR 10 3.175 10.369 1.306 50 HB THR 10 HB THR 10 3.668 9.989 4.253 51 HG1 THR 10 1HG THR 10 3.336 12.145 4.081 52 HG21 THR 10 3HG2 THR 10 6.038 10.010 3.622 53 HG22 THR 10 1HG2 THR 10 5.640 10.480 1.962 54 HG23 THR 10 2HG2 THR 10 5.222 8.870 2.586 55 H ILE 11 H ILE 11 3.549 8.182 1.034 56 HA ILE 11 HA ILE 11 1.642 6.331 2.339 57 HB ILE 11 HB ILE 11 3.125 6.228 -0.320 58 HG13 ILE 11 2HG1 ILE 11 1.072 7.717 -0.067 59 HG21 ILE 11 1HG2 ILE 11 3.023 3.936 0.528 60 HG22 ILE 11 2HG2 ILE 11 1.289 4.117 0.919 61 HG23 ILE 11 3HG2 ILE 11 1.853 4.116 -0.760 62 HD11 ILE 11 3HD1 ILE 11 1.613 6.861 -2.293 63 HD12 ILE 11 1HD1 ILE 11 0.556 5.450 -1.990 64 HD13 ILE 11 2HD1 ILE 11 -0.116 7.087 -1.987 65 H ARG 12 H ARG 12 2.615 4.202 2.887 66 HA ARG 12 HA ARG 12 5.450 3.960 2.718 67 HB3 ARG 12 2HB ARG 12 4.384 3.548 5.526 68 HG3 ARG 12 2HG ARG 12 7.258 4.114 5.184 69 HD3 ARG 12 2HD ARG 12 7.450 1.808 6.261 70 HE ARG 12 HE ARG 12 6.505 4.133 7.523 71 HH11 ARG 12 1HH1 ARG 12 6.667 0.607 8.201 72 HH12 ARG 12 2HH1 ARG 12 5.817 0.764 9.690 73 HH21 ARG 12 1HH2 ARG 12 5.729 4.270 9.731 74 HH22 ARG 12 2HH2 ARG 12 5.686 2.832 10.709 75 H LEU 13 H LEU 13 5.554 2.096 1.771 76 HA LEU 13 HA LEU 13 3.547 -0.066 2.286 77 HB3 LEU 13 2HB LEU 13 5.362 -1.211 0.623 78 HG LEU 13 HG LEU 13 4.155 -0.353 -1.386 79 HD11 LEU 13 1HD1 LEU 13 3.368 -2.357 -0.331 80 HD12 LEU 13 2HD1 LEU 13 1.946 -1.383 -0.771 81 HD13 LEU 13 3HD1 LEU 13 2.529 -1.459 0.913 82 HD21 LEU 13 3HD2 LEU 13 2.365 1.150 0.565 83 HD22 LEU 13 1HD2 LEU 13 2.228 1.050 -1.205 84 HD23 LEU 13 2HD2 LEU 13 3.592 1.901 -0.474 85 H ILE 14 H ILE 14 4.057 -1.765 3.654 86 HA ILE 14 HA ILE 14 6.887 -2.199 4.398 87 HB ILE 14 HB ILE 14 4.409 -2.822 6.064 88 HG13 ILE 14 2HG1 ILE 14 6.157 -0.360 6.092 89 HG21 ILE 14 1HG2 ILE 14 5.908 -3.274 7.865 90 HG22 ILE 14 2HG2 ILE 14 6.568 -4.126 6.454 91 HG23 ILE 14 3HG2 ILE 14 7.311 -2.614 6.981 92 HD11 ILE 14 3HD1 ILE 14 3.872 0.074 5.279 93 HD12 ILE 14 1HD1 ILE 14 3.178 -0.831 6.611 94 HD13 ILE 14 2HD1 ILE 14 3.977 0.700 6.929 95 H ASN 15 H ASN 15 7.541 -4.386 4.238 96 HA ASN 15 HA ASN 15 5.687 -6.236 2.830 97 HB3 ASN 15 2HB ASN 15 8.711 -6.282 2.584 98 HD21 ASN 15 1HD2 ASN 15 9.165 -8.063 1.390 99 HD22 ASN 15 2HD2 ASN 15 8.032 -8.909 0.367 100 H GLN 16 H GLN 16 5.284 -6.485 5.436 101 HA GLN 16 HA GLN 16 7.166 -8.097 6.918 102 HB3 GLN 16 2HB GLN 16 5.520 -8.129 8.651 103 HG3 GLN 16 2HG GLN 16 5.150 -5.369 7.512 104 HE21 GLN 16 1HE2 GLN 16 3.326 -6.205 9.279 105 HE22 GLN 16 2HE2 GLN 16 3.711 -5.519 10.834 106 H THR 17 H THR 17 7.180 -9.430 4.885 107 HA THR 17 HA THR 17 5.622 -11.920 5.246 108 HB THR 17 HB THR 17 5.739 -11.975 2.673 109 HG1 THR 17 1HG THR 17 7.062 -9.932 2.665 110 HG21 THR 17 3HG2 THR 17 3.655 -11.646 4.009 111 HG22 THR 17 1HG2 THR 17 3.601 -10.874 2.428 112 HG23 THR 17 2HG2 THR 17 3.904 -9.884 3.863 113 H TYR 18 H TYR 18 6.650 -13.661 4.172 114 HA TYR 18 HA TYR 18 9.502 -13.762 4.778 115 HB3 TYR 18 2HB TYR 18 8.345 -15.694 5.341 116 HD1 TYR 18 2HD TYR 18 8.035 -16.252 1.641 117 HD2 TYR 18 1HD TYR 18 5.958 -15.861 5.383 118 HE1 TYR 18 2HE TYR 18 5.982 -17.206 0.604 119 HE2 TYR 18 1HE TYR 18 3.930 -16.854 4.393 120 HH TYR 18 HH TYR 18 2.893 -17.624 2.336 121 H PHE 19 H PHE 19 7.753 -13.054 1.835 122 HA PHE 19 HA PHE 19 10.071 -13.927 0.190 123 HB3 PHE 19 2HB PHE 19 8.069 -14.790 -0.693 124 HD1 PHE 19 1HD PHE 19 7.581 -11.126 -1.103 125 HD2 PHE 19 2HD PHE 19 5.722 -14.903 -0.245 126 HE1 PHE 19 1HE PHE 19 5.487 -9.956 -0.379 127 HE2 PHE 19 2HE PHE 19 3.665 -13.758 0.365 128 HZ PHE 19 HZ PHE 19 3.519 -11.262 0.263 129 H ASN 20 H ASN 20 10.537 -12.522 -1.673 130 HA ASN 20 HA ASN 20 10.834 -9.618 -1.012 131 HB3 ASN 20 2HB ASN 20 12.213 -11.570 -2.886 132 HD21 ASN 20 1HD2 ASN 20 11.499 -10.415 -4.923 133 HD22 ASN 20 2HD2 ASN 20 12.493 -9.059 -5.390 134 H VAL 21 H VAL 21 9.846 -8.118 -2.525 135 HA VAL 21 HA VAL 21 8.165 -9.365 -4.679 136 HB VAL 21 HB VAL 21 6.427 -7.761 -4.330 137 HG11 VAL 21 1HG1 VAL 21 6.334 -9.915 -3.104 138 HG12 VAL 21 2HG1 VAL 21 7.034 -9.076 -1.694 139 HG13 VAL 21 3HG1 VAL 21 5.443 -8.602 -2.294 140 HG21 VAL 21 3HG2 VAL 21 6.300 -6.331 -2.309 141 HG22 VAL 21 1HG2 VAL 21 7.921 -6.862 -1.840 142 HG23 VAL 21 2HG2 VAL 21 7.703 -5.886 -3.311 143 H LYS 22 H LYS 22 7.799 -7.965 -6.538 144 HA LYS 22 HA LYS 22 10.001 -5.974 -6.873 145 HB3 LYS 22 2HB LYS 22 10.883 -8.160 -7.365 146 HG3 LYS 22 2HG LYS 22 9.929 -9.148 -9.694 147 HD3 LYS 22 2HD LYS 22 9.055 -9.903 -6.888 148 HE3 LYS 22 2HE LYS 22 7.517 -10.847 -8.678 149 HZ1 LYS 22 3HZ LYS 22 9.150 -11.471 -10.362 150 HZ2 LYS 22 1HZ LYS 22 8.453 -12.830 -9.780 151 HZ3 LYS 22 2HZ LYS 22 9.944 -12.445 -9.280 152 H ASN 23 H ASN 23 7.255 -5.379 -6.709 153 HA ASN 23 HA ASN 23 6.731 -3.861 -9.031 154 HB3 ASN 23 2HB ASN 23 6.569 -5.670 -10.509 155 HD21 ASN 23 1HD2 ASN 23 5.578 -6.997 -7.346 156 HD22 ASN 23 2HD2 ASN 23 5.458 -8.627 -7.938 157 H ILE 24 H ILE 24 6.248 -2.970 -6.639 158 HA ILE 24 HA ILE 24 3.453 -3.788 -5.888 159 HB ILE 24 HB ILE 24 5.004 -1.688 -4.402 160 HG13 ILE 24 2HG1 ILE 24 6.582 -3.528 -4.557 161 HG21 ILE 24 1HG2 ILE 24 2.556 -2.089 -3.994 162 HG22 ILE 24 2HG2 ILE 24 2.927 -3.773 -3.569 163 HG23 ILE 24 3HG2 ILE 24 3.548 -2.431 -2.592 164 HD11 ILE 24 3HD1 ILE 24 6.961 -4.021 -2.346 165 HD12 ILE 24 1HD1 ILE 24 6.225 -2.405 -2.315 166 HD13 ILE 24 2HD1 ILE 24 5.265 -3.864 -1.876 167 H LYS 25 H LYS 25 2.086 -2.959 -7.515 168 HA LYS 25 HA LYS 25 2.240 -0.108 -8.146 169 HB3 LYS 25 2HB LYS 25 -0.296 -1.078 -8.887 170 HG3 LYS 25 2HG LYS 25 1.647 -1.508 -11.022 171 HD3 LYS 25 2HD LYS 25 -0.757 -0.912 -11.362 172 HE3 LYS 25 2HE LYS 25 -0.225 1.981 -11.065 173 HZ1 LYS 25 3HZ LYS 25 -2.312 1.572 -9.507 174 HZ2 LYS 25 1HZ LYS 25 -2.365 0.123 -10.309 175 HZ3 LYS 25 2HZ LYS 25 -2.455 1.517 -11.134 176 H VAL 26 H VAL 26 1.268 1.479 -6.682 177 HA VAL 26 HA VAL 26 -0.835 0.353 -4.884 178 HB VAL 26 HB VAL 26 1.281 0.860 -3.673 179 HG11 VAL 26 1HG1 VAL 26 0.680 3.689 -4.567 180 HG12 VAL 26 2HG1 VAL 26 1.555 3.341 -3.095 181 HG13 VAL 26 3HG1 VAL 26 2.207 2.763 -4.637 182 HG21 VAL 26 3HG2 VAL 26 0.211 2.033 -1.823 183 HG22 VAL 26 1HG2 VAL 26 -1.128 2.501 -2.883 184 HG23 VAL 26 2HG2 VAL 26 -0.852 0.789 -2.491 185 H THR 27 H THR 27 -2.668 1.884 -4.572 186 HA THR 27 HA THR 27 -2.724 4.233 -6.408 187 HB THR 27 HB THR 27 -4.922 2.164 -6.220 188 HG1 THR 27 1HG THR 27 -3.682 0.998 -7.293 189 HG21 THR 27 3HG2 THR 27 -4.476 4.370 -8.264 190 HG22 THR 27 1HG2 THR 27 -5.650 4.374 -6.928 191 HG23 THR 27 2HG2 THR 27 -5.811 3.193 -8.212 192 H TRP 28 H TRP 28 -4.030 5.940 -5.470 193 HA TRP 28 HA TRP 28 -5.512 5.349 -2.951 194 HB3 TRP 28 2HB TRP 28 -3.174 5.869 -2.346 195 HD1 TRP 28 HD TRP 28 -4.099 9.526 -2.841 196 HE1 TRP 28 1HE TRP 28 -2.141 10.737 -3.950 197 HE3 TRP 28 3HE TRP 28 -1.422 5.437 -4.259 198 HZ2 TRP 28 2HZ TRP 28 0.303 9.979 -5.393 199 HZ3 TRP 28 3HZ TRP 28 0.738 5.716 -5.490 200 HH2 TRP 28 HH TRP 28 1.579 8.076 -5.980 201 H ASN 29 H ASN 29 -5.970 6.332 -5.758 202 HA ASN 29 HA ASN 29 -8.106 8.105 -5.226 203 HB3 ASN 29 2HB ASN 29 -6.448 9.621 -7.140 204 HD21 ASN 29 1HD2 ASN 29 -6.671 10.550 -3.805 205 HD22 ASN 29 2HD2 ASN 29 -8.015 11.647 -3.966 206 H ASP 30 H ASP 30 -8.805 9.012 -7.644 207 HA ASP 30 HA ASP 30 -9.292 6.489 -9.063 208 HB3 ASP 30 2HB ASP 30 -10.421 9.283 -9.281 209 H GLY 31 H GLY 31 -6.897 6.486 -9.598 210 HA2 GLY 31 1HA GLY 31 -6.085 6.224 -11.965 211 HA3 GLY 31 2HA GLY 31 -6.353 7.947 -12.167 212 H LYS 32 H LYS 32 -5.323 8.307 -9.165 213 HA LYS 32 HA LYS 32 -2.595 8.648 -10.036 214 HB3 LYS 32 2HB LYS 32 -4.123 9.435 -7.553 215 HG3 LYS 32 2HG LYS 32 -1.787 9.075 -7.014 216 HD3 LYS 32 2HD LYS 32 -0.143 10.897 -7.767 217 HE3 LYS 32 2HE LYS 32 -0.736 8.768 -9.814 218 HZ1 LYS 32 3HZ LYS 32 1.776 10.085 -9.069 219 HZ2 LYS 32 1HZ LYS 32 0.947 10.262 -10.513 220 HZ3 LYS 32 2HZ LYS 32 1.619 8.819 -10.081 221 H GLU 33 H GLU 33 -1.257 7.001 -9.909 222 HA GLU 33 HA GLU 33 -1.245 5.221 -7.575 223 HB3 GLU 33 2HB GLU 33 -2.480 3.975 -9.176 224 HG3 GLU 33 2HG GLU 33 -2.106 5.139 -11.269 225 H GLN 34 H GLN 34 0.764 3.716 -7.911 226 HA GLN 34 HA GLN 34 3.143 5.098 -8.965 227 HB3 GLN 34 2HB GLN 34 4.261 4.215 -6.726 228 HG3 GLN 34 2HG GLN 34 3.488 6.366 -5.521 229 HE21 GLN 34 1HE2 GLN 34 5.865 5.643 -6.420 230 HE22 GLN 34 2HE2 GLN 34 6.481 6.621 -7.717 231 H THR 35 H THR 35 4.955 3.550 -9.072 232 HA THR 35 HA THR 35 4.409 0.978 -7.925 233 HB THR 35 HB THR 35 3.979 0.384 -10.150 234 HG1 THR 35 1HG THR 35 6.612 -0.500 -9.695 235 HG21 THR 35 3HG2 THR 35 5.620 0.689 -11.999 236 HG22 THR 35 1HG2 THR 35 6.529 1.809 -10.930 237 HG23 THR 35 2HG2 THR 35 4.853 2.174 -11.430 238 H VAL 36 H VAL 36 6.462 -0.105 -7.316 239 HA VAL 36 HA VAL 36 8.789 1.652 -7.115 240 HB VAL 36 HB VAL 36 9.295 0.350 -5.246 241 HG11 VAL 36 1HG1 VAL 36 6.525 1.522 -4.957 242 HG12 VAL 36 2HG1 VAL 36 7.554 1.067 -3.598 243 HG13 VAL 36 3HG1 VAL 36 8.088 2.333 -4.705 244 HG21 VAL 36 3HG2 VAL 36 6.854 -1.268 -5.570 245 HG22 VAL 36 1HG2 VAL 36 8.590 -1.763 -5.624 246 HG23 VAL 36 2HG2 VAL 36 7.894 -1.198 -4.101 247 H ASN 37 H ASN 37 10.742 0.211 -6.879 248 HA ASN 37 HA ASN 37 10.955 -1.650 -9.106 249 HB3 ASN 37 2HB ASN 37 12.665 0.011 -8.758 250 HD21 ASN 37 1HD2 ASN 37 14.537 -1.952 -6.617 251 HD22 ASN 37 2HD2 ASN 37 14.508 -0.890 -5.251 252 H THR 38 H THR 38 12.212 -2.152 -5.690 253 HA THR 38 HA THR 38 10.789 -4.687 -5.548 254 HB THR 38 HB THR 38 13.807 -4.398 -5.775 255 HG1 THR 38 1HG THR 38 13.006 -4.709 -7.794 256 HG21 THR 38 3HG2 THR 38 13.991 -6.801 -5.457 257 HG22 THR 38 1HG2 THR 38 12.233 -6.910 -5.200 258 HG23 THR 38 2HG2 THR 38 13.289 -6.094 -4.023 259 H LEU 39 H LEU 39 10.916 -5.675 -3.504 260 HA LEU 39 HA LEU 39 11.785 -4.008 -1.237 261 HB3 LEU 39 2HB LEU 39 9.238 -5.465 -0.817 262 HG LEU 39 HG LEU 39 8.388 -3.382 0.065 263 HD11 LEU 39 1HD1 LEU 39 9.968 -5.052 1.262 264 HD12 LEU 39 2HD1 LEU 39 9.768 -3.424 1.941 265 HD13 LEU 39 3HD1 LEU 39 11.200 -3.858 0.954 266 HD21 LEU 39 3HD2 LEU 39 11.160 -2.151 -0.401 267 HD22 LEU 39 1HD2 LEU 39 9.845 -1.492 0.523 268 HD23 LEU 39 2HD2 LEU 39 9.681 -1.652 -1.259 269 H GLY 40 H GLY 40 12.770 -5.171 0.314 270 HA2 GLY 40 1HA GLY 40 13.302 -7.954 -0.004 271 HA3 GLY 40 2HA GLY 40 13.836 -6.887 1.297 272 H SER 41 H SER 41 13.277 -9.225 2.298 273 HA SER 41 HA SER 41 10.472 -9.638 3.076 274 HB3 SER 41 2HB SER 41 11.768 -11.620 2.933 275 HG SER 41 HG SER 41 13.707 -10.187 4.434 276 H HIS 42 H HIS 42 9.557 -8.630 4.768 277 HA HIS 42 HA HIS 42 9.150 -7.291 6.461 278 HB3 HIS 42 2HB HIS 42 11.342 -7.314 8.203 279 HD1 HIS 42 1HD HIS 42 9.231 -6.790 9.772 280 HD2 HIS 42 2HD HIS 42 9.259 -10.527 7.812 281 HE1 HIS 42 1HE HIS 42 7.387 -8.202 10.881 282 H ASP 43 H ASP 43 10.886 -6.304 4.095 283 HA ASP 43 HA ASP 43 12.104 -3.859 5.175 284 HB3 ASP 43 2HB ASP 43 12.213 -3.477 2.619 285 H SER 44 H SER 44 11.560 -1.864 3.819 286 HA SER 44 HA SER 44 8.745 -1.561 3.291 287 HB3 SER 44 2HB SER 44 8.500 -1.256 5.613 288 HG SER 44 HG SER 44 10.764 0.475 5.525 289 H ILE 45 H ILE 45 8.267 0.805 2.636 290 HA ILE 45 HA ILE 45 10.502 2.413 1.786 291 HB ILE 45 HB ILE 45 10.483 0.809 -0.019 292 HG13 ILE 45 2HG1 ILE 45 10.896 3.232 -0.458 293 HG21 ILE 45 1HG2 ILE 45 7.588 1.568 -0.623 294 HG22 ILE 45 2HG2 ILE 45 8.568 0.374 -1.487 295 HG23 ILE 45 3HG2 ILE 45 8.062 0.053 0.169 296 HD11 ILE 45 3HD1 ILE 45 11.337 1.494 -2.159 297 HD12 ILE 45 1HD1 ILE 45 9.705 1.719 -2.828 298 HD13 ILE 45 2HD1 ILE 45 10.887 3.054 -2.857 299 H ASP 46 H ASP 46 9.844 4.525 1.361 300 HA ASP 46 HA ASP 46 7.017 5.183 1.872 301 HB3 ASP 46 2HB ASP 46 8.247 5.768 3.882 302 H PHE 47 H PHE 47 6.234 6.881 0.688 303 HA PHE 47 HA PHE 47 8.013 8.549 -0.901 304 HB3 PHE 47 2HB PHE 47 7.986 6.917 -2.533 305 HD1 PHE 47 1HD PHE 47 7.402 4.703 -1.430 306 HD2 PHE 47 2HD PHE 47 4.500 7.194 -3.405 307 HE1 PHE 47 1HE PHE 47 5.795 2.810 -1.443 308 HE2 PHE 47 2HE PHE 47 2.985 5.278 -3.590 309 HZ PHE 47 HZ PHE 47 3.557 3.097 -2.424 310 H SER 48 H SER 48 6.955 10.302 -1.853 311 HA SER 48 HA SER 48 4.763 11.499 -0.503 312 HB3 SER 48 2HB SER 48 5.999 12.068 -3.241 313 HG SER 48 HG SER 48 4.938 13.833 -3.194 314 H SER 49 H SER 49 2.729 12.254 -1.673 315 HA SER 49 HA SER 49 1.717 10.433 -3.718 316 HB3 SER 49 2HB SER 49 0.133 9.569 -2.380 317 HG SER 49 HG SER 49 1.426 11.055 -0.380 318 H ASP 50 H ASP 50 -0.245 11.599 -4.809 319 HA ASP 50 HA ASP 50 0.243 14.540 -4.923 320 HB3 ASP 50 2HB ASP 50 -1.030 12.740 -6.993 321 H ALA 51 H ALA 51 -1.269 14.373 -2.857 322 HA ALA 51 HA ALA 51 -4.110 14.367 -3.595 323 HB1 ALA 51 1HB ALA 51 -2.888 12.204 -1.803 324 HB2 ALA 51 2HB ALA 51 -4.617 12.456 -2.148 325 HB3 ALA 51 3HB ALA 51 -3.521 11.968 -3.440 326 H GLY 52 H GLY 52 -4.765 16.108 -2.495 327 HA2 GLY 52 1HA GLY 52 -3.792 17.132 -0.019 328 HA3 GLY 52 2HA GLY 52 -5.419 17.340 -0.666 329 H SER 53 H SER 53 -6.152 14.494 -0.809 330 HA SER 53 HA SER 53 -5.724 13.366 1.860 331 HB3 SER 53 2HB SER 53 -7.388 14.817 2.578 332 HG SER 53 HG SER 53 -8.600 14.429 0.058 333 H VAL 54 H VAL 54 -7.024 11.245 2.082 334 HA VAL 54 HA VAL 54 -7.380 9.907 -0.546 335 HB VAL 54 HB VAL 54 -5.691 8.861 1.788 336 HG11 VAL 54 1HG1 VAL 54 -6.821 7.003 0.670 337 HG12 VAL 54 2HG1 VAL 54 -6.288 7.563 -0.921 338 HG13 VAL 54 3HG1 VAL 54 -5.119 6.979 0.276 339 HG21 VAL 54 3HG2 VAL 54 -4.337 10.502 0.698 340 HG22 VAL 54 1HG2 VAL 54 -3.800 8.935 0.082 341 HG23 VAL 54 2HG2 VAL 54 -4.863 9.974 -0.905 342 H TYR 55 H TYR 55 -8.942 8.304 -0.427 343 HA TYR 55 HA TYR 55 -10.175 7.595 2.177 344 HB3 TYR 55 2HB TYR 55 -11.489 9.321 1.730 345 HD1 TYR 55 2HD TYR 55 -11.172 7.556 -1.573 346 HD2 TYR 55 1HD TYR 55 -12.005 11.259 0.454 347 HE1 TYR 55 2HE TYR 55 -10.941 8.718 -3.713 348 HE2 TYR 55 1HE TYR 55 -12.024 12.434 -1.723 349 HH TYR 55 HH TYR 55 -12.050 12.154 -4.045 350 H LYS 56 H LYS 56 -8.753 6.373 -0.539 351 HA LYS 56 HA LYS 56 -10.111 3.844 -0.327 352 HB3 LYS 56 2HB LYS 56 -11.494 4.680 -2.097 353 HG3 LYS 56 2HG LYS 56 -9.358 6.438 -2.846 354 HD3 LYS 56 2HD LYS 56 -8.534 5.039 -4.547 355 HE3 LYS 56 2HE LYS 56 -10.748 3.623 -4.840 356 HZ1 LYS 56 3HZ LYS 56 -11.988 5.686 -5.745 357 HZ2 LYS 56 1HZ LYS 56 -12.097 4.273 -6.611 358 HZ3 LYS 56 2HZ LYS 56 -11.123 5.431 -7.129 359 H MET 57 H MET 57 -8.686 2.167 -1.421 360 HA MET 57 HA MET 57 -6.194 3.134 -2.536 361 HB3 MET 57 2HB MET 57 -6.232 1.361 -0.055 362 HG3 MET 57 2HG MET 57 -4.173 1.571 -2.186 363 HE1 MET 57 3HE MET 57 -1.934 4.155 -0.279 364 HE2 MET 57 1HE MET 57 -2.564 3.668 -1.862 365 HE3 MET 57 2HE MET 57 -3.682 4.228 -0.612 366 H ASP 58 H ASP 58 -5.420 1.626 -3.995 367 HA ASP 58 HA ASP 58 -6.733 -1.005 -4.215 368 HB3 ASP 58 2HB ASP 58 -7.594 -0.789 -6.340 369 H VAL 59 H VAL 59 -4.737 -1.535 -3.359 370 HA VAL 59 HA VAL 59 -2.315 -1.171 -5.027 371 HB VAL 59 HB VAL 59 -2.198 -1.018 -2.639 372 HG11 VAL 59 1HG1 VAL 59 -2.286 -2.655 -1.046 373 HG12 VAL 59 2HG1 VAL 59 -3.820 -2.500 -1.867 374 HG13 VAL 59 3HG1 VAL 59 -2.730 -3.889 -2.248 375 HG21 VAL 59 3HG2 VAL 59 -0.173 -1.637 -3.850 376 HG22 VAL 59 1HG2 VAL 59 -0.183 -2.234 -2.200 377 HG23 VAL 59 2HG2 VAL 59 -0.526 -3.355 -3.530 378 H THR 60 H THR 60 -1.158 -2.913 -5.958 379 HA THR 60 HA THR 60 -2.206 -5.567 -5.971 380 HB THR 60 HB THR 60 -3.772 -4.898 -7.507 381 HG1 THR 60 1HG THR 60 -1.893 -5.431 -9.479 382 HG21 THR 60 3HG2 THR 60 -3.426 -3.472 -9.461 383 HG22 THR 60 1HG2 THR 60 -1.805 -3.048 -8.825 384 HG23 THR 60 2HG2 THR 60 -3.278 -2.652 -7.897 385 H GLY 61 H GLY 61 -0.426 -6.696 -5.793 386 HA2 GLY 61 1HA GLY 61 1.958 -6.059 -7.380 387 HA3 GLY 61 2HA GLY 61 2.154 -6.110 -5.608 388 H THR 62 H THR 62 3.713 -7.938 -6.572 389 HA THR 62 HA THR 62 2.237 -10.466 -6.592 390 HB THR 62 HB THR 62 4.334 -9.982 -8.688 391 HG1 THR 62 1HG THR 62 2.783 -9.406 -10.140 392 HG21 THR 62 3HG2 THR 62 3.439 -12.277 -8.191 393 HG22 THR 62 1HG2 THR 62 3.160 -11.760 -9.868 394 HG23 THR 62 2HG2 THR 62 1.829 -11.731 -8.692 395 H THR 63 H THR 63 3.376 -12.195 -5.734 396 HA THR 63 HA THR 63 5.649 -11.645 -4.104 397 HB THR 63 HB THR 63 5.485 -13.981 -3.449 398 HG1 THR 63 1HG THR 63 4.033 -15.390 -4.603 399 HG21 THR 63 3HG2 THR 63 2.646 -12.967 -3.913 400 HG22 THR 63 1HG2 THR 63 3.700 -12.534 -2.564 401 HG23 THR 63 2HG2 THR 63 3.196 -14.231 -2.814 402 H GLN 64 H GLN 64 7.537 -13.115 -4.031 403 HA GLN 64 HA GLN 64 9.187 -13.299 -6.181 404 HB3 GLN 64 2HB GLN 64 9.815 -13.366 -3.881 405 HG3 GLN 64 2HG GLN 64 8.195 -15.502 -3.988 406 HE21 GLN 64 1HE2 GLN 64 11.614 -15.988 -2.983 407 HE22 GLN 64 2HE2 GLN 64 11.768 -17.565 -3.706 408 H SER 65 H SER 65 6.468 -15.250 -5.690 409 HA SER 65 HA SER 65 7.372 -17.373 -7.569 410 HB3 SER 65 2HB SER 65 5.081 -17.593 -5.640 411 HG SER 65 HG SER 65 5.633 -19.729 -5.697 412 H GLY 66 H GLY 66 5.622 -14.566 -7.698 413 HA2 GLY 66 1HA GLY 66 4.297 -13.878 -9.454 414 HA3 GLY 66 2HA GLY 66 4.101 -15.529 -9.997 415 H GLU 67 H GLU 67 3.298 -15.003 -6.592 416 HA GLU 67 HA GLU 67 0.456 -15.327 -7.254 417 HB3 GLU 67 2HB GLU 67 0.131 -15.150 -4.799 418 HG3 GLU 67 2HG GLU 67 0.804 -17.248 -6.220 419 H LYS 68 H LYS 68 -0.864 -13.732 -7.438 420 HA LYS 68 HA LYS 68 0.095 -10.944 -7.145 421 HB3 LYS 68 2HB LYS 68 -2.587 -12.118 -8.033 422 HG3 LYS 68 2HG LYS 68 -1.513 -9.307 -7.958 423 HD3 LYS 68 2HD LYS 68 -3.119 -10.548 -10.175 424 HE3 LYS 68 2HE LYS 68 -3.998 -8.163 -10.630 425 HZ1 LYS 68 3HZ LYS 68 -5.192 -9.904 -8.560 426 HZ2 LYS 68 1HZ LYS 68 -5.572 -9.864 -10.142 427 HZ3 LYS 68 2HZ LYS 68 -5.973 -8.604 -9.205 428 H PHE 69 H PHE 69 -0.721 -9.535 -5.629 429 HA PHE 69 HA PHE 69 -2.750 -10.437 -3.694 430 HB3 PHE 69 2HB PHE 69 -0.637 -10.847 -2.603 431 HD1 PHE 69 1HD PHE 69 -0.631 -7.110 -2.399 432 HD2 PHE 69 2HD PHE 69 1.591 -10.647 -3.491 433 HE1 PHE 69 1HE PHE 69 1.416 -5.743 -2.600 434 HE2 PHE 69 2HE PHE 69 3.662 -9.302 -3.585 435 HZ PHE 69 HZ PHE 69 3.598 -6.850 -3.088 436 H THR 70 H THR 70 -4.039 -8.555 -2.989 437 HA THR 70 HA THR 70 -3.354 -5.852 -4.004 438 HB THR 70 HB THR 70 -5.595 -5.721 -5.083 439 HG1 THR 70 1HG THR 70 -7.064 -7.221 -4.942 440 HG21 THR 70 3HG2 THR 70 -4.644 -8.351 -6.238 441 HG22 THR 70 1HG2 THR 70 -3.796 -6.848 -6.576 442 HG23 THR 70 2HG2 THR 70 -5.502 -6.998 -7.040 443 H GLY 71 H GLY 71 -4.799 -4.393 -3.209 444 HA2 GLY 71 1HA GLY 71 -6.202 -5.160 -0.646 445 HA3 GLY 71 2HA GLY 71 -4.969 -3.889 -0.635 446 H HIS 72 H HIS 72 -8.138 -4.832 -1.589 447 HA HIS 72 HA HIS 72 -8.826 -2.267 -2.891 448 HB3 HIS 72 2HB HIS 72 -10.994 -3.344 -3.227 449 HD1 HIS 72 1HD HIS 72 -10.218 -3.278 -5.721 450 HD2 HIS 72 2HD HIS 72 -8.631 -6.421 -3.413 451 HE1 HIS 72 1HE HIS 72 -8.840 -4.747 -7.333 452 H PHE 73 H PHE 73 -9.260 -0.608 -1.488 453 HA PHE 73 HA PHE 73 -10.617 -1.206 1.075 454 HB3 PHE 73 2HB PHE 73 -9.028 0.292 2.253 455 HD1 PHE 73 1HD PHE 73 -9.489 -2.114 3.200 456 HD2 PHE 73 2HD PHE 73 -6.265 -1.127 0.513 457 HE1 PHE 73 1HE PHE 73 -8.217 -4.084 4.010 458 HE2 PHE 73 2HE PHE 73 -4.974 -3.072 1.377 459 HZ PHE 73 HZ PHE 73 -5.956 -4.525 3.130 460 H LYS 74 H LYS 74 -11.399 0.719 2.097 461 HA LYS 74 HA LYS 74 -11.987 3.043 0.413 462 HB3 LYS 74 2HB LYS 74 -14.360 1.568 1.472 463 HG3 LYS 74 2HG LYS 74 -13.764 2.665 -1.309 464 HD3 LYS 74 2HD LYS 74 -16.337 1.925 0.162 465 HE3 LYS 74 2HE LYS 74 -15.914 2.714 -2.751 466 HZ1 LYS 74 3HZ LYS 74 -18.397 2.173 -1.252 467 HZ2 LYS 74 1HZ LYS 74 -17.730 1.101 -2.260 468 HZ3 LYS 74 2HZ LYS 74 -18.280 2.511 -2.879 469 H GLY 75 H GLY 75 -13.596 4.427 1.719 470 HA2 GLY 75 1HA GLY 75 -14.111 5.615 3.595 471 HA3 GLY 75 2HA GLY 75 -14.109 4.059 4.462 472 H LEU 76 H LEU 76 -11.283 5.472 2.845 473 HA LEU 76 HA LEU 76 -9.784 5.030 5.346 474 HB3 LEU 76 2HB LEU 76 -7.820 5.798 4.029 475 HG LEU 76 HG LEU 76 -9.457 3.772 2.422 476 HD11 LEU 76 1HD1 LEU 76 -7.293 2.972 1.657 477 HD12 LEU 76 2HD1 LEU 76 -6.450 4.149 2.685 478 HD13 LEU 76 3HD1 LEU 76 -7.428 4.709 1.320 479 HD21 LEU 76 3HD2 LEU 76 -9.335 2.948 4.736 480 HD22 LEU 76 1HD2 LEU 76 -7.582 3.254 4.775 481 HD23 LEU 76 2HD2 LEU 76 -8.262 2.012 3.701 482 H VAL 77 H VAL 77 -8.572 6.605 6.443 483 HA VAL 77 HA VAL 77 -9.294 9.428 6.030 484 HB VAL 77 HB VAL 77 -9.586 9.529 8.587 485 HG11 VAL 77 1HG1 VAL 77 -11.748 8.059 7.025 486 HG12 VAL 77 2HG1 VAL 77 -11.955 9.015 8.503 487 HG13 VAL 77 3HG1 VAL 77 -11.461 9.808 6.996 488 HG21 VAL 77 3HG2 VAL 77 -10.325 7.571 9.767 489 HG22 VAL 77 1HG2 VAL 77 -10.240 6.556 8.320 490 HG23 VAL 77 2HG2 VAL 77 -8.752 7.181 9.069 491 H GLY 78 H GLY 78 -7.850 10.887 7.047 492 HA2 GLY 78 1HA GLY 78 -6.093 11.468 8.469 493 HA3 GLY 78 2HA GLY 78 -5.469 9.816 8.444 494 H LYS 79 H LYS 79 -3.893 12.062 8.179 495 HA LYS 79 HA LYS 79 -3.362 12.645 5.391 496 HB3 LYS 79 2HB LYS 79 -1.389 13.787 7.223 497 HG3 LYS 79 2HG LYS 79 -3.819 14.856 5.744 498 HD3 LYS 79 2HD LYS 79 -1.591 16.416 7.146 499 HE3 LYS 79 2HE LYS 79 -4.037 17.357 5.593 500 HZ1 LYS 79 3HZ LYS 79 -1.971 19.064 6.785 501 HZ2 LYS 79 1HZ LYS 79 -3.427 18.803 7.481 502 HZ3 LYS 79 2HZ LYS 79 -3.357 19.542 6.028 503 H ASP 80 H ASP 80 -2.821 9.908 6.293 504 HA ASP 80 HA ASP 80 -0.484 9.577 4.739 505 HB3 ASP 80 2HB ASP 80 0.751 9.736 6.859 506 H THR 81 H THR 81 -0.092 7.293 4.198 507 HA THR 81 HA THR 81 -2.381 5.476 4.730 508 HB THR 81 HB THR 81 -1.282 5.716 1.923 509 HG1 THR 81 1HG THR 81 -1.919 7.760 2.002 510 HG21 THR 81 3HG2 THR 81 -2.811 3.905 2.471 511 HG22 THR 81 1HG2 THR 81 -3.658 5.089 1.440 512 HG23 THR 81 2HG2 THR 81 -3.971 5.066 3.184 513 H ARG 82 H ARG 82 -1.320 3.914 5.893 514 HA ARG 82 HA ARG 82 1.311 2.843 4.892 515 HB3 ARG 82 2HB ARG 82 1.073 1.492 7.107 516 HG3 ARG 82 2HG ARG 82 1.384 4.517 7.267 517 HD3 ARG 82 2HD ARG 82 3.003 3.574 9.200 518 HE ARG 82 HE ARG 82 0.468 3.581 10.455 519 HH11 ARG 82 1HH1 ARG 82 2.487 5.903 8.562 520 HH12 ARG 82 2HH1 ARG 82 1.585 7.239 9.233 521 HH21 ARG 82 1HH2 ARG 82 -0.487 5.554 11.385 522 HH22 ARG 82 2HH2 ARG 82 0.164 7.062 10.885 523 H VAL 83 H VAL 83 1.515 0.548 4.767 524 HA VAL 83 HA VAL 83 -0.982 -0.916 4.095 525 HB VAL 83 HB VAL 83 1.392 -0.479 2.271 526 HG11 VAL 83 1HG1 VAL 83 0.429 -2.756 2.009 527 HG12 VAL 83 2HG1 VAL 83 -1.207 -2.068 1.910 528 HG13 VAL 83 3HG1 VAL 83 -0.033 -1.774 0.614 529 HG21 VAL 83 3HG2 VAL 83 -0.286 0.563 0.719 530 HG22 VAL 83 1HG2 VAL 83 -1.435 0.589 2.075 531 HG23 VAL 83 2HG2 VAL 83 0.079 1.517 2.156 532 H PHE 84 H PHE 84 -0.923 -2.802 5.216 533 HA PHE 84 HA PHE 84 1.719 -3.940 5.919 534 HB3 PHE 84 2HB PHE 84 0.485 -5.254 7.603 535 HD1 PHE 84 1HD PHE 84 2.232 -2.544 7.343 536 HD2 PHE 84 2HD PHE 84 -1.117 -3.837 9.676 537 HE1 PHE 84 1HE PHE 84 2.707 -0.740 9.000 538 HE2 PHE 84 2HE PHE 84 -0.625 -2.096 11.344 539 HZ PHE 84 HZ PHE 84 1.263 -0.513 10.980 540 H ILE 85 H ILE 85 2.182 -4.988 4.169 541 HA ILE 85 HA ILE 85 0.438 -7.073 2.967 542 HB ILE 85 HB ILE 85 3.437 -6.609 2.538 543 HG13 ILE 85 2HG1 ILE 85 2.045 -4.662 1.728 544 HG21 ILE 85 1HG2 ILE 85 3.202 -8.174 0.691 545 HG22 ILE 85 2HG2 ILE 85 2.463 -8.928 2.093 546 HG23 ILE 85 3HG2 ILE 85 1.423 -8.205 0.868 547 HD11 ILE 85 3HD1 ILE 85 3.219 -6.317 -0.537 548 HD12 ILE 85 1HD1 ILE 85 2.805 -4.601 -0.586 549 HD13 ILE 85 2HD1 ILE 85 4.097 -5.168 0.495 550 H GLU 86 H GLU 86 0.149 -8.799 4.301 551 HA GLU 86 HA GLU 86 2.387 -10.236 5.304 552 HB3 GLU 86 2HB GLU 86 2.211 -8.733 7.251 553 HG3 GLU 86 2HG GLU 86 -0.671 -9.638 7.269 554 H LEU 87 H LEU 87 1.345 -12.274 6.499 555 HA LEU 87 HA LEU 87 -0.900 -13.055 4.748 556 HB3 LEU 87 2HB LEU 87 -0.033 -15.133 4.642 557 HG LEU 87 HG LEU 87 2.242 -15.196 4.096 558 HD11 LEU 87 1HD1 LEU 87 2.612 -13.391 2.639 559 HD12 LEU 87 2HD1 LEU 87 1.346 -12.436 3.432 560 HD13 LEU 87 3HD1 LEU 87 0.941 -13.975 2.666 561 HD21 LEU 87 3HD2 LEU 87 2.943 -12.866 5.851 562 HD22 LEU 87 1HD2 LEU 87 4.010 -13.940 4.953 563 HD23 LEU 87 2HD2 LEU 87 3.056 -14.580 6.280 564 H ASP 88 H ASP 88 -2.423 -14.449 5.619 565 HA ASP 88 HA ASP 88 -2.651 -14.715 8.534 566 HB3 ASP 88 2HB ASP 88 -5.099 -13.791 7.041 567 H GLU 89 H GLU 89 -4.282 -16.397 9.001 568 HA GLU 89 HA GLU 89 -5.460 -18.255 8.753 569 HB3 GLU 89 2HB GLU 89 -6.774 -18.754 6.841 570 HG3 GLU 89 2HG GLU 89 -6.555 -15.729 7.032 571 H ASN 90 H ASN 90 -3.754 -18.282 5.607 572 HA ASN 90 HA ASN 90 -2.478 -20.895 6.360 573 HB3 ASN 90 2HB ASN 90 -3.240 -22.025 4.450 574 HD21 ASN 90 1HD2 ASN 90 -5.743 -19.632 4.145 575 HD22 ASN 90 2HD2 ASN 90 -6.996 -20.551 4.963 576 H ALA 91 H ALA 91 -1.211 -18.234 6.159 577 HA ALA 91 HA ALA 91 0.490 -17.195 5.251 578 HB1 ALA 91 1HB ALA 91 1.228 -19.762 3.806 579 HB2 ALA 91 2HB ALA 91 2.266 -18.370 4.120 580 HB3 ALA 91 3HB ALA 91 1.679 -19.344 5.473 581 H ASP 92 H ASP 92 -2.144 -17.153 4.024 582 HA ASP 92 HA ASP 92 -1.863 -17.102 1.123 583 HB3 ASP 92 2HB ASP 92 -4.139 -16.295 1.092 584 H VAL 93 H VAL 93 -1.193 -15.353 0.009 585 HA VAL 93 HA VAL 93 -0.381 -12.976 1.481 586 HB VAL 93 HB VAL 93 -0.248 -13.121 -1.534 587 HG11 VAL 93 1HG1 VAL 93 0.201 -10.966 -0.344 588 HG12 VAL 93 2HG1 VAL 93 1.414 -11.778 0.641 589 HG13 VAL 93 3HG1 VAL 93 1.652 -11.613 -1.122 590 HG21 VAL 93 3HG2 VAL 93 2.142 -13.931 -1.052 591 HG22 VAL 93 1HG2 VAL 93 1.510 -14.526 0.488 592 HG23 VAL 93 2HG2 VAL 93 0.854 -15.113 -1.057 593 H GLN 94 H GLN 94 -1.835 -11.859 2.254 594 HA GLN 94 HA GLN 94 -3.943 -10.686 0.495 595 HB3 GLN 94 2HB GLN 94 -4.979 -12.200 2.008 596 HG3 GLN 94 2HG GLN 94 -4.329 -10.657 4.484 597 HE21 GLN 94 1HE2 GLN 94 -3.511 -14.021 3.826 598 HE22 GLN 94 2HE2 GLN 94 -4.730 -14.698 4.879 599 H VAL 95 H VAL 95 -4.680 -8.523 2.014 600 HA VAL 95 HA VAL 95 -2.178 -7.173 2.764 601 HB VAL 95 HB VAL 95 -4.198 -6.001 0.796 602 HG11 VAL 95 1HG1 VAL 95 -1.604 -4.839 1.915 603 HG12 VAL 95 2HG1 VAL 95 -2.634 -4.092 0.657 604 HG13 VAL 95 3HG1 VAL 95 -3.241 -4.275 2.288 605 HG21 VAL 95 3HG2 VAL 95 -2.325 -5.986 -0.835 606 HG22 VAL 95 1HG2 VAL 95 -1.301 -6.867 0.347 607 HG23 VAL 95 2HG2 VAL 95 -2.738 -7.623 -0.353 608 H PHE 96 H PHE 96 -2.467 -5.800 4.371 609 HA PHE 96 HA PHE 96 -5.162 -5.267 5.498 610 HB3 PHE 96 2HB PHE 96 -2.547 -5.957 6.941 611 HD1 PHE 96 2HD PHE 96 -6.151 -6.921 7.268 612 HD2 PHE 96 1HD PHE 96 -2.897 -4.673 8.954 613 HE1 PHE 96 2HE PHE 96 -7.570 -6.312 9.221 614 HE2 PHE 96 1HE PHE 96 -4.310 -4.068 10.914 615 HZ PHE 96 HZ PHE 96 -6.643 -4.869 11.029 616 H ILE 97 H ILE 97 -4.948 -3.439 7.133 617 HA ILE 97 HA ILE 97 -2.719 -1.599 6.641 618 HB ILE 97 HB ILE 97 -4.557 0.235 6.330 619 HG13 ILE 97 2HG1 ILE 97 -6.543 -1.306 6.665 620 HG21 ILE 97 1HG2 ILE 97 -2.849 -0.562 4.675 621 HG22 ILE 97 2HG2 ILE 97 -4.098 -1.590 3.950 622 HG23 ILE 97 3HG2 ILE 97 -4.269 0.182 3.998 623 HD11 ILE 97 3HD1 ILE 97 -6.653 0.844 5.242 624 HD12 ILE 97 1HD1 ILE 97 -6.487 -0.220 3.829 625 HD13 ILE 97 2HD1 ILE 97 -7.895 -0.386 4.896 626 HA PRO 98 HA PRO 98 -3.900 -0.683 10.832 627 HB3 PRO 98 2HB PRO 98 -1.727 -0.058 11.285 628 HG3 PRO 98 2HG PRO 98 -0.375 0.985 9.631 629 HD3 PRO 98 2HD PRO 98 -1.138 -0.833 8.345 630 H GLN 99 H GLN 99 -5.948 0.013 10.980 631 HA GLN 99 HA GLN 99 -6.800 2.707 10.191 632 HB3 GLN 99 2HB GLN 99 -9.023 1.520 9.502 633 HG3 GLN 99 2HG GLN 99 -8.363 1.064 7.221 634 HE21 GLN 99 1HE2 GLN 99 -5.610 3.060 7.748 635 HE22 GLN 99 2HE2 GLN 99 -6.404 4.606 7.422 636 H GLY 100 H GLY 100 -9.432 2.451 11.240 637 HA2 GLY 100 1HA GLY 100 -9.308 1.102 13.831 638 HA3 GLY 100 2HA GLY 100 -9.371 2.878 13.901 639 H GLU 101 H GLU 101 -11.003 3.913 12.610 640 HA GLU 101 HA GLU 101 -13.667 2.974 13.090 641 HB3 GLU 101 2HB GLU 101 -13.100 5.276 13.422 642 HG3 GLU 101 2HG GLU 101 -12.281 5.455 10.475 643 H ILE 102 H ILE 102 -12.970 0.960 11.655 644 HA ILE 102 HA ILE 102 -14.320 1.387 9.044 645 HB ILE 102 HB ILE 102 -12.926 -0.510 8.169 646 HG13 ILE 102 2HG1 ILE 102 -11.921 -1.017 10.494 647 HG21 ILE 102 1HG2 ILE 102 -11.183 1.062 7.393 648 HG22 ILE 102 2HG2 ILE 102 -12.766 1.857 7.472 649 HG23 ILE 102 3HG2 ILE 102 -11.564 2.159 8.736 650 HD11 ILE 102 3HD1 ILE 102 -10.025 -0.737 8.134 651 HD12 ILE 102 1HD1 ILE 102 -9.752 -1.705 9.593 652 HD13 ILE 102 2HD1 ILE 102 -11.087 -2.118 8.487 653 H ASP 103 H ASP 103 -16.023 1.105 10.584 654 HA ASP 103 HA ASP 103 -17.990 0.178 10.342 655 HB3 ASP 103 2HB ASP 103 -16.751 -2.176 8.880 Start of MODEL 19 1 H1 GLY 1 H GLY 1 9.813 17.016 -1.182 2 HA2 GLY 1 1HA GLY 1 9.649 18.040 1.010 3 HA3 GLY 1 2HA GLY 1 11.371 18.459 0.887 4 H ALA 2 H ALA 2 8.853 20.169 1.142 5 HA ALA 2 HA ALA 2 9.049 21.694 -1.415 6 HB1 ALA 2 1HB ALA 2 6.688 22.382 -0.948 7 HB2 ALA 2 2HB ALA 2 6.867 20.647 -1.235 8 HB3 ALA 2 3HB ALA 2 6.676 21.245 0.423 9 H GLN 3 H GLN 3 8.441 24.036 -1.117 10 HA GLN 3 HA GLN 3 9.703 25.329 1.159 11 HB3 GLN 3 2HB GLN 3 8.103 27.267 0.390 12 HG3 GLN 3 2HG GLN 3 10.683 26.478 -0.460 13 HE21 GLN 3 1HE2 GLN 3 11.159 25.473 -2.437 14 HE22 GLN 3 2HE2 GLN 3 10.531 26.025 -3.988 15 H ASP 4 H ASP 4 6.164 24.789 0.307 16 HA ASP 4 HA ASP 4 5.772 24.071 3.065 17 HB3 ASP 4 2HB ASP 4 4.123 26.494 2.297 18 H GLY 5 H GLY 5 5.386 22.276 1.501 19 HA2 GLY 5 1HA GLY 5 3.049 22.435 -0.252 20 HA3 GLY 5 2HA GLY 5 4.158 21.076 -0.069 21 H LYS 6 H LYS 6 1.868 22.856 1.997 22 HA LYS 6 HA LYS 6 1.201 20.620 3.700 23 HB3 LYS 6 2HB LYS 6 -0.610 22.471 4.432 24 HG3 LYS 6 2HG LYS 6 2.366 22.868 4.733 25 HD3 LYS 6 2HD LYS 6 -0.053 24.236 5.961 26 HE3 LYS 6 2HE LYS 6 1.274 23.550 7.890 27 HZ1 LYS 6 3HZ LYS 6 3.552 24.660 7.995 28 HZ2 LYS 6 1HZ LYS 6 3.510 24.666 6.340 29 HZ3 LYS 6 2HZ LYS 6 3.445 23.257 7.197 30 H GLU 7 H GLU 7 0.583 19.895 0.995 31 HA GLU 7 HA GLU 7 -2.330 19.473 1.124 32 HB3 GLU 7 2HB GLU 7 -1.277 21.138 -1.189 33 HG3 GLU 7 2HG GLU 7 -3.990 20.795 0.189 34 H THR 8 H THR 8 -0.243 17.606 1.091 35 HA THR 8 HA THR 8 -1.260 16.073 -1.146 36 HB THR 8 HB THR 8 1.373 15.138 -0.941 37 HG1 THR 8 1HG THR 8 1.527 17.903 -1.515 38 HG21 THR 8 3HG2 THR 8 1.546 15.948 -3.294 39 HG22 THR 8 1HG2 THR 8 0.046 16.875 -3.050 40 HG23 THR 8 2HG2 THR 8 0.022 15.107 -2.944 41 H THR 9 H THR 9 -1.540 13.948 -0.621 42 HA THR 9 HA THR 9 -1.294 13.100 2.185 43 HB THR 9 HB THR 9 -1.867 10.841 0.915 44 HG1 THR 9 1HG THR 9 -2.824 12.754 -0.990 45 HG21 THR 9 3HG2 THR 9 -3.896 13.087 1.147 46 HG22 THR 9 1HG2 THR 9 -3.387 11.931 2.409 47 HG23 THR 9 2HG2 THR 9 -4.249 11.337 0.995 48 H THR 10 H THR 10 -0.077 11.031 2.588 49 HA THR 10 HA THR 10 2.143 10.667 0.744 50 HB THR 10 HB THR 10 2.451 10.794 3.783 51 HG1 THR 10 1HG THR 10 4.063 12.480 2.659 52 HG21 THR 10 3HG2 THR 10 3.983 9.150 2.767 53 HG22 THR 10 1HG2 THR 10 4.869 10.551 3.341 54 HG23 THR 10 2HG2 THR 10 4.533 10.368 1.602 55 H ILE 11 H ILE 11 2.628 8.547 0.430 56 HA ILE 11 HA ILE 11 0.955 6.545 1.814 57 HB ILE 11 HB ILE 11 2.162 6.513 -0.968 58 HG13 ILE 11 2HG1 ILE 11 -0.097 7.770 -0.426 59 HG21 ILE 11 1HG2 ILE 11 2.339 4.277 -0.038 60 HG22 ILE 11 2HG2 ILE 11 0.678 4.342 0.607 61 HG23 ILE 11 3HG2 ILE 11 0.972 4.272 -1.132 62 HD11 ILE 11 3HD1 ILE 11 0.545 7.299 -2.716 63 HD12 ILE 11 1HD1 ILE 11 -0.081 5.634 -2.570 64 HD13 ILE 11 2HD1 ILE 11 -1.189 7.007 -2.434 65 H ARG 12 H ARG 12 2.144 4.710 2.527 66 HA ARG 12 HA ARG 12 4.989 4.649 1.929 67 HB3 ARG 12 2HB ARG 12 3.973 4.285 4.764 68 HG3 ARG 12 2HG ARG 12 6.890 4.649 4.105 69 HD3 ARG 12 2HD ARG 12 7.015 2.757 5.820 70 HE ARG 12 HE ARG 12 5.304 4.892 7.011 71 HH11 ARG 12 1HH1 ARG 12 8.699 4.256 5.968 72 HH12 ARG 12 2HH1 ARG 12 9.278 5.553 6.938 73 HH21 ARG 12 1HH2 ARG 12 6.167 6.463 8.275 74 HH22 ARG 12 2HH2 ARG 12 7.893 6.634 8.450 75 H LEU 13 H LEU 13 5.542 2.643 1.374 76 HA LEU 13 HA LEU 13 3.545 0.436 1.794 77 HB3 LEU 13 2HB LEU 13 5.382 -0.512 -0.017 78 HG LEU 13 HG LEU 13 3.933 0.350 -1.925 79 HD11 LEU 13 1HD1 LEU 13 2.099 -1.239 -1.366 80 HD12 LEU 13 2HD1 LEU 13 2.822 -1.399 0.274 81 HD13 LEU 13 3HD1 LEU 13 3.753 -1.867 -1.111 82 HD21 LEU 13 3HD2 LEU 13 2.117 1.291 0.325 83 HD22 LEU 13 1HD2 LEU 13 1.714 1.205 -1.391 84 HD23 LEU 13 2HD2 LEU 13 2.986 2.303 -0.833 85 H ILE 14 H ILE 14 4.130 -1.188 3.121 86 HA ILE 14 HA ILE 14 6.969 -1.548 3.842 87 HB ILE 14 HB ILE 14 4.527 -2.064 5.583 88 HG13 ILE 14 2HG1 ILE 14 6.202 0.462 5.502 89 HG21 ILE 14 1HG2 ILE 14 6.137 -2.280 7.373 90 HG22 ILE 14 2HG2 ILE 14 6.554 -3.379 6.069 91 HG23 ILE 14 3HG2 ILE 14 7.485 -1.884 6.276 92 HD11 ILE 14 3HD1 ILE 14 3.850 1.331 6.318 93 HD12 ILE 14 1HD1 ILE 14 4.035 0.942 4.603 94 HD13 ILE 14 2HD1 ILE 14 3.229 -0.192 5.697 95 H ASN 15 H ASN 15 7.689 -3.673 3.603 96 HA ASN 15 HA ASN 15 5.777 -5.753 2.725 97 HB3 ASN 15 2HB ASN 15 8.814 -5.793 2.726 98 HD21 ASN 15 1HD2 ASN 15 9.617 -7.452 1.486 99 HD22 ASN 15 2HD2 ASN 15 8.637 -8.793 0.944 100 H GLN 16 H GLN 16 5.254 -5.727 5.408 101 HA GLN 16 HA GLN 16 7.197 -7.182 6.976 102 HB3 GLN 16 2HB GLN 16 5.608 -7.152 8.747 103 HG3 GLN 16 2HG GLN 16 5.024 -4.412 7.686 104 HE21 GLN 16 1HE2 GLN 16 7.202 -3.299 9.505 105 HE22 GLN 16 2HE2 GLN 16 6.580 -3.648 11.110 106 H THR 17 H THR 17 7.033 -8.762 4.990 107 HA THR 17 HA THR 17 5.555 -11.187 5.931 108 HB THR 17 HB THR 17 5.386 -11.723 3.435 109 HG1 THR 17 1HG THR 17 5.454 -9.848 2.084 110 HG21 THR 17 3HG2 THR 17 3.572 -10.742 5.033 111 HG22 THR 17 1HG2 THR 17 3.238 -10.925 3.359 112 HG23 THR 17 2HG2 THR 17 3.710 -9.298 4.023 113 H TYR 18 H TYR 18 6.389 -13.156 4.853 114 HA TYR 18 HA TYR 18 9.228 -13.363 5.293 115 HB3 TYR 18 2HB TYR 18 7.597 -14.987 6.170 116 HD1 TYR 18 2HD TYR 18 6.130 -14.430 3.216 117 HD2 TYR 18 1HD TYR 18 7.866 -17.789 5.261 118 HE1 TYR 18 2HE TYR 18 4.459 -15.954 2.164 119 HE2 TYR 18 1HE TYR 18 6.305 -19.318 4.115 120 HH TYR 18 HH TYR 18 3.475 -18.308 2.509 121 H PHE 19 H PHE 19 7.927 -12.170 2.590 122 HA PHE 19 HA PHE 19 9.778 -13.641 0.833 123 HB3 PHE 19 2HB PHE 19 7.746 -14.456 0.140 124 HD1 PHE 19 2HD PHE 19 7.162 -10.789 -0.677 125 HD2 PHE 19 1HD PHE 19 5.653 -14.426 1.054 126 HE1 PHE 19 2HE PHE 19 5.043 -9.643 -0.119 127 HE2 PHE 19 1HE PHE 19 3.618 -13.226 1.807 128 HZ PHE 19 HZ PHE 19 3.281 -10.845 1.135 129 H ASN 20 H ASN 20 9.590 -12.109 -1.404 130 HA ASN 20 HA ASN 20 10.270 -9.271 -0.807 131 HB3 ASN 20 2HB ASN 20 11.608 -11.375 -2.547 132 HD21 ASN 20 1HD2 ASN 20 12.082 -10.778 -4.685 133 HD22 ASN 20 2HD2 ASN 20 12.411 -9.112 -5.132 134 H VAL 21 H VAL 21 9.433 -7.823 -2.468 135 HA VAL 21 HA VAL 21 7.668 -9.029 -4.554 136 HB VAL 21 HB VAL 21 6.112 -7.093 -4.117 137 HG11 VAL 21 1HG1 VAL 21 5.279 -9.196 -3.575 138 HG12 VAL 21 2HG1 VAL 21 6.297 -9.344 -2.130 139 HG13 VAL 21 3HG1 VAL 21 4.944 -8.204 -2.165 140 HG21 VAL 21 3HG2 VAL 21 6.007 -6.109 -1.858 141 HG22 VAL 21 1HG2 VAL 21 7.388 -7.075 -1.335 142 HG23 VAL 21 2HG2 VAL 21 7.620 -5.800 -2.529 143 H LYS 22 H LYS 22 7.691 -7.881 -6.498 144 HA LYS 22 HA LYS 22 9.605 -5.584 -6.726 145 HB3 LYS 22 2HB LYS 22 10.894 -7.602 -7.050 146 HG3 LYS 22 2HG LYS 22 10.140 -8.939 -9.250 147 HD3 LYS 22 2HD LYS 22 9.299 -9.488 -6.393 148 HE3 LYS 22 2HE LYS 22 7.603 -10.459 -7.916 149 HZ1 LYS 22 3HZ LYS 22 9.947 -11.911 -9.005 150 HZ2 LYS 22 1HZ LYS 22 9.033 -10.862 -9.850 151 HZ3 LYS 22 2HZ LYS 22 8.387 -12.289 -9.363 152 H ASN 23 H ASN 23 6.728 -5.500 -6.947 153 HA ASN 23 HA ASN 23 6.277 -3.975 -9.217 154 HB3 ASN 23 2HB ASN 23 6.502 -5.678 -10.807 155 HD21 ASN 23 1HD2 ASN 23 4.804 -7.211 -8.089 156 HD22 ASN 23 2HD2 ASN 23 5.410 -8.834 -8.384 157 H ILE 24 H ILE 24 5.478 -3.150 -7.144 158 HA ILE 24 HA ILE 24 2.857 -4.285 -6.307 159 HB ILE 24 HB ILE 24 4.717 -2.360 -4.878 160 HG13 ILE 24 2HG1 ILE 24 4.860 -5.315 -5.180 161 HG21 ILE 24 1HG2 ILE 24 2.370 -2.295 -4.113 162 HG22 ILE 24 2HG2 ILE 24 2.475 -4.063 -3.783 163 HG23 ILE 24 3HG2 ILE 24 3.491 -2.944 -2.896 164 HD11 ILE 24 3HD1 ILE 24 6.783 -3.348 -3.863 165 HD12 ILE 24 1HD1 ILE 24 7.142 -4.946 -4.538 166 HD13 ILE 24 2HD1 ILE 24 6.757 -3.612 -5.625 167 H LYS 25 H LYS 25 1.350 -3.325 -7.630 168 HA LYS 25 HA LYS 25 1.566 -0.431 -8.230 169 HB3 LYS 25 2HB LYS 25 -0.953 -0.838 -8.848 170 HG3 LYS 25 2HG LYS 25 0.727 -2.397 -10.752 171 HD3 LYS 25 2HD LYS 25 -1.468 -1.327 -11.304 172 HE3 LYS 25 2HE LYS 25 -1.121 0.782 -9.909 173 HZ1 LYS 25 3HZ LYS 25 0.683 1.357 -12.188 174 HZ2 LYS 25 1HZ LYS 25 0.945 1.615 -10.555 175 HZ3 LYS 25 2HZ LYS 25 -0.110 2.547 -11.412 176 H VAL 26 H VAL 26 0.456 1.205 -7.330 177 HA VAL 26 HA VAL 26 -1.210 0.624 -4.991 178 HB VAL 26 HB VAL 26 0.889 2.840 -5.371 179 HG11 VAL 26 1HG1 VAL 26 -0.860 3.516 -3.851 180 HG12 VAL 26 2HG1 VAL 26 -0.684 2.011 -2.892 181 HG13 VAL 26 3HG1 VAL 26 0.634 3.224 -2.964 182 HG21 VAL 26 3HG2 VAL 26 2.252 1.636 -3.675 183 HG22 VAL 26 1HG2 VAL 26 1.174 0.235 -3.850 184 HG23 VAL 26 2HG2 VAL 26 2.142 0.852 -5.218 185 H THR 27 H THR 27 -3.142 1.823 -5.049 186 HA THR 27 HA THR 27 -3.387 4.107 -6.938 187 HB THR 27 HB THR 27 -5.559 2.155 -6.190 188 HG1 THR 27 1HG THR 27 -4.196 0.811 -7.075 189 HG21 THR 27 3HG2 THR 27 -6.347 4.190 -7.259 190 HG22 THR 27 1HG2 THR 27 -6.578 2.808 -8.315 191 HG23 THR 27 2HG2 THR 27 -5.234 3.940 -8.607 192 H TRP 28 H TRP 28 -4.855 5.817 -6.165 193 HA TRP 28 HA TRP 28 -6.201 5.502 -3.521 194 HB3 TRP 28 2HB TRP 28 -3.863 6.085 -2.961 195 HD1 TRP 28 HD TRP 28 -4.736 9.594 -4.236 196 HE1 TRP 28 1HE TRP 28 -2.914 10.426 -5.831 197 HE3 TRP 28 3HE TRP 28 -2.030 5.310 -4.541 198 HZ2 TRP 28 2HZ TRP 28 -0.690 9.198 -7.351 199 HZ3 TRP 28 3HZ TRP 28 -0.086 5.133 -6.044 200 HH2 TRP 28 HH TRP 28 0.595 7.076 -7.447 201 H ASN 29 H ASN 29 -6.918 6.142 -6.313 202 HA ASN 29 HA ASN 29 -8.996 7.939 -5.738 203 HB3 ASN 29 2HB ASN 29 -7.700 9.207 -8.072 204 HD21 ASN 29 1HD2 ASN 29 -8.049 10.188 -4.596 205 HD22 ASN 29 2HD2 ASN 29 -9.311 11.369 -4.972 206 H ASP 30 H ASP 30 -9.934 8.427 -8.362 207 HA ASP 30 HA ASP 30 -10.063 5.627 -9.379 208 HB3 ASP 30 2HB ASP 30 -11.864 7.341 -10.783 209 H GLY 31 H GLY 31 -8.069 5.483 -10.282 210 HA2 GLY 31 1HA GLY 31 -6.914 5.340 -12.320 211 HA3 GLY 31 2HA GLY 31 -7.762 6.753 -12.940 212 H LYS 32 H LYS 32 -5.714 5.940 -10.135 213 HA LYS 32 HA LYS 32 -3.772 7.976 -10.666 214 HB3 LYS 32 2HB LYS 32 -4.101 8.770 -8.136 215 HG3 LYS 32 2HG LYS 32 -5.576 10.632 -8.713 216 HD3 LYS 32 2HD LYS 32 -3.100 10.716 -9.252 217 HE3 LYS 32 2HE LYS 32 -4.109 9.740 -11.850 218 HZ1 LYS 32 3HZ LYS 32 -2.309 12.095 -11.861 219 HZ2 LYS 32 1HZ LYS 32 -3.874 12.006 -12.441 220 HZ3 LYS 32 2HZ LYS 32 -2.710 11.132 -13.148 221 H GLU 33 H GLU 33 -2.362 6.353 -10.723 222 HA GLU 33 HA GLU 33 -1.769 4.923 -8.219 223 HB3 GLU 33 2HB GLU 33 -3.253 3.371 -9.241 224 HG3 GLU 33 2HG GLU 33 -2.898 2.466 -11.563 225 H GLN 34 H GLN 34 0.185 3.892 -8.288 226 HA GLN 34 HA GLN 34 2.135 4.422 -10.398 227 HB3 GLN 34 2HB GLN 34 2.405 6.381 -8.963 228 HG3 GLN 34 2HG GLN 34 1.996 5.157 -6.698 229 HE21 GLN 34 1HE2 GLN 34 5.535 5.666 -7.304 230 HE22 GLN 34 2HE2 GLN 34 5.980 4.060 -6.745 231 H THR 35 H THR 35 4.424 3.206 -9.043 232 HA THR 35 HA THR 35 3.400 0.983 -7.602 233 HB THR 35 HB THR 35 3.051 -0.130 -9.580 234 HG1 THR 35 1HG THR 35 5.708 -0.868 -9.037 235 HG21 THR 35 3HG2 THR 35 4.646 -0.236 -11.511 236 HG22 THR 35 1HG2 THR 35 5.439 1.192 -10.778 237 HG23 THR 35 2HG2 THR 35 3.723 1.258 -11.279 238 H VAL 36 H VAL 36 5.099 -0.189 -6.534 239 HA VAL 36 HA VAL 36 7.465 1.554 -6.042 240 HB VAL 36 HB VAL 36 6.220 -0.794 -4.554 241 HG11 VAL 36 1HG1 VAL 36 8.874 0.569 -3.951 242 HG12 VAL 36 2HG1 VAL 36 7.983 -0.488 -2.825 243 HG13 VAL 36 3HG1 VAL 36 8.605 -1.148 -4.336 244 HG21 VAL 36 3HG2 VAL 36 5.140 1.384 -4.171 245 HG22 VAL 36 1HG2 VAL 36 6.043 0.887 -2.727 246 HG23 VAL 36 2HG2 VAL 36 6.711 2.123 -3.806 247 H ASN 37 H ASN 37 9.423 0.915 -6.633 248 HA ASN 37 HA ASN 37 10.085 -0.870 -8.643 249 HB3 ASN 37 2HB ASN 37 11.645 0.288 -6.305 250 HD21 ASN 37 1HD2 ASN 37 13.983 0.158 -6.363 251 HD22 ASN 37 2HD2 ASN 37 14.778 -1.006 -7.427 252 H THR 38 H THR 38 11.293 -1.580 -5.322 253 HA THR 38 HA THR 38 10.190 -4.252 -5.380 254 HB THR 38 HB THR 38 13.183 -3.690 -5.367 255 HG1 THR 38 1HG THR 38 12.359 -3.673 -7.469 256 HG21 THR 38 3HG2 THR 38 11.754 -6.374 -5.249 257 HG22 THR 38 1HG2 THR 38 12.602 -5.599 -3.892 258 HG23 THR 38 2HG2 THR 38 13.503 -6.116 -5.308 259 H LEU 39 H LEU 39 10.039 -5.040 -3.313 260 HA LEU 39 HA LEU 39 11.043 -3.371 -1.114 261 HB3 LEU 39 2HB LEU 39 8.392 -4.655 -0.701 262 HG LEU 39 HG LEU 39 9.348 -3.257 1.049 263 HD11 LEU 39 1HD1 LEU 39 9.321 -0.624 0.434 264 HD12 LEU 39 2HD1 LEU 39 9.534 -1.185 -1.213 265 HD13 LEU 39 3HD1 LEU 39 10.742 -1.559 0.016 266 HD21 LEU 39 3HD2 LEU 39 7.415 -1.771 1.343 267 HD22 LEU 39 1HD2 LEU 39 6.864 -3.287 0.616 268 HD23 LEU 39 2HD2 LEU 39 7.064 -1.854 -0.402 269 H GLY 40 H GLY 40 12.588 -4.604 -0.504 270 HA2 GLY 40 1HA GLY 40 12.705 -7.464 -0.632 271 HA3 GLY 40 2HA GLY 40 13.782 -6.372 0.254 272 H SER 41 H SER 41 13.511 -8.489 1.648 273 HA SER 41 HA SER 41 11.128 -9.078 3.034 274 HB3 SER 41 2HB SER 41 12.889 -10.670 2.978 275 HG SER 41 HG SER 41 14.591 -8.778 4.195 276 H HIS 42 H HIS 42 9.952 -7.781 4.430 277 HA HIS 42 HA HIS 42 9.398 -6.209 5.908 278 HB3 HIS 42 2HB HIS 42 11.025 -5.900 7.890 279 HD1 HIS 42 1HD HIS 42 9.437 -6.700 9.748 280 HD2 HIS 42 2HD HIS 42 9.716 -9.311 6.440 281 HE1 HIS 42 1HE HIS 42 7.842 -8.615 10.204 282 H ASP 43 H ASP 43 11.000 -5.391 3.442 283 HA ASP 43 HA ASP 43 12.256 -2.948 4.357 284 HB3 ASP 43 2HB ASP 43 11.607 -3.162 1.468 285 H SER 44 H SER 44 11.612 -1.023 2.849 286 HA SER 44 HA SER 44 8.809 -0.534 2.599 287 HB3 SER 44 2HB SER 44 8.658 -0.507 4.978 288 HG SER 44 HG SER 44 10.981 0.137 5.151 289 H ILE 45 H ILE 45 8.203 1.794 2.080 290 HA ILE 45 HA ILE 45 10.369 3.647 1.494 291 HB ILE 45 HB ILE 45 10.454 2.253 -0.476 292 HG13 ILE 45 2HG1 ILE 45 10.738 4.663 -0.645 293 HG21 ILE 45 1HG2 ILE 45 7.504 2.807 -1.011 294 HG22 ILE 45 2HG2 ILE 45 8.612 1.834 -1.992 295 HG23 ILE 45 3HG2 ILE 45 8.134 1.263 -0.400 296 HD11 ILE 45 3HD1 ILE 45 11.164 3.386 -2.698 297 HD12 ILE 45 1HD1 ILE 45 9.456 3.577 -3.180 298 HD13 ILE 45 2HD1 ILE 45 10.502 4.995 -3.028 299 H ASP 46 H ASP 46 9.476 5.786 1.164 300 HA ASP 46 HA ASP 46 6.559 6.059 1.605 301 HB3 ASP 46 2HB ASP 46 7.812 7.011 3.591 302 H PHE 47 H PHE 47 5.525 7.449 0.225 303 HA PHE 47 HA PHE 47 7.074 9.201 -1.520 304 HB3 PHE 47 2HB PHE 47 7.252 7.322 -2.916 305 HD1 PHE 47 1HD PHE 47 6.628 5.254 -1.704 306 HD2 PHE 47 2HD PHE 47 3.751 7.529 -3.961 307 HE1 PHE 47 1HE PHE 47 5.077 3.303 -1.691 308 HE2 PHE 47 2HE PHE 47 2.218 5.544 -3.987 309 HZ PHE 47 HZ PHE 47 2.866 3.491 -2.791 310 H SER 48 H SER 48 5.647 10.727 -2.730 311 HA SER 48 HA SER 48 3.179 11.345 -1.271 312 HB3 SER 48 2HB SER 48 4.132 12.597 -3.869 313 HG SER 48 HG SER 48 2.113 13.335 -3.225 314 H SER 49 H SER 49 1.136 11.098 -2.051 315 HA SER 49 HA SER 49 0.554 9.576 -4.487 316 HB3 SER 49 2HB SER 49 -1.322 9.095 -3.342 317 HG SER 49 HG SER 49 -1.356 10.766 -1.270 318 H ASP 50 H ASP 50 -0.790 10.708 -6.082 319 HA ASP 50 HA ASP 50 -0.290 13.619 -6.386 320 HB3 ASP 50 2HB ASP 50 -1.579 13.037 -8.584 321 H ALA 51 H ALA 51 -1.727 13.702 -4.284 322 HA ALA 51 HA ALA 51 -4.472 14.298 -5.022 323 HB1 ALA 51 1HB ALA 51 -3.898 11.822 -3.324 324 HB2 ALA 51 2HB ALA 51 -5.505 12.499 -3.683 325 HB3 ALA 51 3HB ALA 51 -4.514 11.815 -4.988 326 H GLY 52 H GLY 52 -5.078 15.926 -3.682 327 HA2 GLY 52 1HA GLY 52 -3.736 16.471 -1.157 328 HA3 GLY 52 2HA GLY 52 -5.117 17.327 -1.842 329 H SER 53 H SER 53 -6.541 14.535 -2.160 330 HA SER 53 HA SER 53 -7.165 13.931 0.658 331 HB3 SER 53 2HB SER 53 -8.713 15.610 0.300 332 HG SER 53 HG SER 53 -9.668 14.557 -2.130 333 H VAL 54 H VAL 54 -8.050 11.910 0.940 334 HA VAL 54 HA VAL 54 -8.434 10.174 -1.400 335 HB VAL 54 HB VAL 54 -6.234 9.668 0.646 336 HG11 VAL 54 1HG1 VAL 54 -7.351 7.527 0.105 337 HG12 VAL 54 2HG1 VAL 54 -7.127 7.819 -1.624 338 HG13 VAL 54 3HG1 VAL 54 -5.728 7.605 -0.562 339 HG21 VAL 54 3HG2 VAL 54 -6.120 10.131 -2.360 340 HG22 VAL 54 1HG2 VAL 54 -5.429 11.169 -1.094 341 HG23 VAL 54 2HG2 VAL 54 -4.747 9.585 -1.384 342 H TYR 55 H TYR 55 -9.766 8.452 -0.978 343 HA TYR 55 HA TYR 55 -10.607 7.810 1.798 344 HB3 TYR 55 2HB TYR 55 -12.204 9.284 1.249 345 HD1 TYR 55 2HD TYR 55 -12.370 6.945 -1.741 346 HD2 TYR 55 1HD TYR 55 -12.690 10.988 -0.294 347 HE1 TYR 55 2HE TYR 55 -12.348 7.753 -4.072 348 HE2 TYR 55 1HE TYR 55 -12.926 11.809 -2.613 349 HH TYR 55 HH TYR 55 -12.880 11.246 -4.857 350 H LYS 56 H LYS 56 -9.328 6.529 -1.038 351 HA LYS 56 HA LYS 56 -10.265 3.829 -0.382 352 HB3 LYS 56 2HB LYS 56 -11.895 4.332 -1.986 353 HG3 LYS 56 2HG LYS 56 -10.371 6.264 -3.117 354 HD3 LYS 56 2HD LYS 56 -8.955 4.870 -4.532 355 HE3 LYS 56 2HE LYS 56 -11.636 3.707 -5.304 356 HZ1 LYS 56 3HZ LYS 56 -9.485 4.191 -7.258 357 HZ2 LYS 56 1HZ LYS 56 -11.112 4.386 -7.400 358 HZ3 LYS 56 2HZ LYS 56 -10.489 2.887 -7.375 359 H MET 57 H MET 57 -8.899 2.168 -1.429 360 HA MET 57 HA MET 57 -6.495 3.095 -2.806 361 HB3 MET 57 2HB MET 57 -6.334 1.570 -0.152 362 HG3 MET 57 2HG MET 57 -4.365 1.817 -2.409 363 HE1 MET 57 3HE MET 57 -3.637 4.346 -1.243 364 HE2 MET 57 1HE MET 57 -1.887 4.159 -0.945 365 HE3 MET 57 2HE MET 57 -2.625 3.452 -2.390 366 H ASP 58 H ASP 58 -5.667 1.532 -4.145 367 HA ASP 58 HA ASP 58 -6.706 -1.245 -4.022 368 HB3 ASP 58 2HB ASP 58 -6.761 0.485 -6.503 369 H VAL 59 H VAL 59 -5.079 -2.246 -3.571 370 HA VAL 59 HA VAL 59 -2.440 -1.685 -4.875 371 HB VAL 59 HB VAL 59 -1.406 -2.823 -3.242 372 HG11 VAL 59 1HG1 VAL 59 -1.809 -2.028 -1.161 373 HG12 VAL 59 2HG1 VAL 59 -2.656 -0.846 -2.194 374 HG13 VAL 59 3HG1 VAL 59 -3.555 -2.162 -1.344 375 HG21 VAL 59 3HG2 VAL 59 -2.459 -4.981 -3.340 376 HG22 VAL 59 1HG2 VAL 59 -2.249 -4.463 -1.662 377 HG23 VAL 59 2HG2 VAL 59 -3.832 -4.300 -2.433 378 H THR 60 H THR 60 -1.556 -3.371 -6.211 379 HA THR 60 HA THR 60 -2.838 -5.954 -6.421 380 HB THR 60 HB THR 60 -4.365 -5.318 -7.914 381 HG1 THR 60 1HG THR 60 -3.268 -4.885 -10.126 382 HG21 THR 60 3HG2 THR 60 -4.243 -3.024 -7.530 383 HG22 THR 60 1HG2 THR 60 -4.397 -3.279 -9.254 384 HG23 THR 60 2HG2 THR 60 -2.792 -2.851 -8.554 385 H GLY 61 H GLY 61 -0.986 -6.984 -6.064 386 HA2 GLY 61 1HA GLY 61 1.417 -6.239 -7.678 387 HA3 GLY 61 2HA GLY 61 1.515 -6.266 -5.909 388 H THR 62 H THR 62 3.332 -7.921 -7.041 389 HA THR 62 HA THR 62 2.199 -10.578 -6.522 390 HB THR 62 HB THR 62 4.118 -10.203 -8.825 391 HG1 THR 62 1HG THR 62 2.298 -8.993 -9.375 392 HG21 THR 62 3HG2 THR 62 3.820 -12.498 -7.926 393 HG22 THR 62 1HG2 THR 62 3.148 -12.376 -9.556 394 HG23 THR 62 2HG2 THR 62 2.080 -12.407 -8.145 395 H THR 63 H THR 63 3.555 -12.016 -5.472 396 HA THR 63 HA THR 63 5.981 -11.016 -4.208 397 HB THR 63 HB THR 63 5.786 -12.828 -2.828 398 HG1 THR 63 1HG THR 63 4.639 -14.613 -3.300 399 HG21 THR 63 3HG2 THR 63 3.721 -12.704 -1.854 400 HG22 THR 63 1HG2 THR 63 2.824 -12.637 -3.376 401 HG23 THR 63 2HG2 THR 63 3.710 -11.205 -2.777 402 H GLN 64 H GLN 64 7.688 -12.754 -3.883 403 HA GLN 64 HA GLN 64 9.245 -13.220 -6.194 404 HB3 GLN 64 2HB GLN 64 9.322 -14.839 -3.698 405 HG3 GLN 64 2HG GLN 64 11.551 -13.628 -5.363 406 HE21 GLN 64 1HE2 GLN 64 10.419 -16.717 -3.777 407 HE22 GLN 64 2HE2 GLN 64 11.848 -16.857 -2.834 408 H SER 65 H SER 65 6.932 -15.231 -4.392 409 HA SER 65 HA SER 65 7.280 -17.622 -5.966 410 HB3 SER 65 2HB SER 65 5.080 -18.243 -4.715 411 HG SER 65 HG SER 65 6.767 -19.042 -3.822 412 H GLY 66 H GLY 66 5.778 -14.766 -6.978 413 HA2 GLY 66 1HA GLY 66 4.441 -14.468 -8.889 414 HA3 GLY 66 2HA GLY 66 4.179 -16.212 -8.987 415 H GLU 67 H GLU 67 3.647 -15.141 -5.745 416 HA GLU 67 HA GLU 67 0.809 -15.572 -6.085 417 HB3 GLU 67 2HB GLU 67 0.875 -14.820 -3.546 418 HG3 GLU 67 2HG GLU 67 2.125 -17.365 -4.626 419 H LYS 68 H LYS 68 -0.349 -14.209 -6.930 420 HA LYS 68 HA LYS 68 0.232 -11.333 -6.890 421 HB3 LYS 68 2HB LYS 68 -1.721 -12.975 -8.524 422 HG3 LYS 68 2HG LYS 68 -1.372 -10.013 -8.113 423 HD3 LYS 68 2HD LYS 68 -2.389 -11.349 -10.614 424 HE3 LYS 68 2HE LYS 68 -3.613 -9.293 -9.998 425 HZ1 LYS 68 3HZ LYS 68 -1.754 -8.260 -8.763 426 HZ2 LYS 68 1HZ LYS 68 -2.523 -7.233 -9.787 427 HZ3 LYS 68 2HZ LYS 68 -1.062 -7.826 -10.196 428 H PHE 69 H PHE 69 -0.772 -10.039 -5.594 429 HA PHE 69 HA PHE 69 -3.057 -11.012 -3.953 430 HB3 PHE 69 2HB PHE 69 -1.111 -10.944 -2.614 431 HD1 PHE 69 1HD PHE 69 1.070 -10.708 -3.741 432 HD2 PHE 69 2HD PHE 69 -1.293 -7.234 -2.772 433 HE1 PHE 69 1HE PHE 69 3.073 -9.263 -3.998 434 HE2 PHE 69 2HE PHE 69 0.719 -5.803 -3.075 435 HZ PHE 69 HZ PHE 69 2.928 -6.821 -3.556 436 H THR 70 H THR 70 -4.579 -9.387 -3.405 437 HA THR 70 HA THR 70 -4.325 -6.707 -4.612 438 HB THR 70 HB THR 70 -6.777 -6.815 -5.099 439 HG1 THR 70 1HG THR 70 -6.639 -9.149 -3.958 440 HG21 THR 70 3HG2 THR 70 -6.579 -7.813 -7.277 441 HG22 THR 70 1HG2 THR 70 -5.131 -8.722 -6.779 442 HG23 THR 70 2HG2 THR 70 -5.086 -6.948 -6.869 443 H GLY 71 H GLY 71 -5.539 -5.119 -3.446 444 HA2 GLY 71 1HA GLY 71 -6.139 -5.932 -0.626 445 HA3 GLY 71 2HA GLY 71 -5.660 -4.375 -1.070 446 H HIS 72 H HIS 72 -7.117 -3.196 -2.488 447 HA HIS 72 HA HIS 72 -8.948 -2.115 -3.058 448 HB3 HIS 72 2HB HIS 72 -11.024 -3.125 -3.636 449 HD1 HIS 72 1HD HIS 72 -9.781 -2.659 -6.059 450 HD2 HIS 72 2HD HIS 72 -8.977 -6.328 -4.134 451 HE1 HIS 72 1HE HIS 72 -8.656 -4.151 -7.761 452 H PHE 73 H PHE 73 -9.338 -0.649 -1.487 453 HA PHE 73 HA PHE 73 -10.850 -1.446 0.947 454 HB3 PHE 73 2HB PHE 73 -9.465 0.162 2.201 455 HD1 PHE 73 1HD PHE 73 -9.595 -2.266 3.169 456 HD2 PHE 73 2HD PHE 73 -6.636 -0.889 0.404 457 HE1 PHE 73 1HE PHE 73 -8.090 -4.165 3.805 458 HE2 PHE 73 2HE PHE 73 -5.225 -2.904 0.870 459 HZ PHE 73 HZ PHE 73 -5.987 -4.528 2.590 460 H LYS 74 H LYS 74 -12.383 -0.064 1.479 461 HA LYS 74 HA LYS 74 -12.740 2.521 0.043 462 HB3 LYS 74 2HB LYS 74 -15.187 2.144 0.750 463 HG3 LYS 74 2HG LYS 74 -14.311 1.803 -1.612 464 HD3 LYS 74 2HD LYS 74 -14.549 -1.062 -0.655 465 HE3 LYS 74 2HE LYS 74 -15.048 0.156 -3.410 466 HZ1 LYS 74 3HZ LYS 74 -13.888 -1.699 -4.004 467 HZ2 LYS 74 1HZ LYS 74 -15.433 -2.311 -3.883 468 HZ3 LYS 74 2HZ LYS 74 -14.350 -2.601 -2.692 469 H GLY 75 H GLY 75 -14.000 4.019 1.444 470 HA2 GLY 75 1HA GLY 75 -14.008 5.393 3.197 471 HA3 GLY 75 2HA GLY 75 -14.567 3.954 4.106 472 H LEU 76 H LEU 76 -11.596 5.201 2.687 473 HA LEU 76 HA LEU 76 -9.868 4.412 4.922 474 HB3 LEU 76 2HB LEU 76 -8.307 6.048 3.596 475 HG LEU 76 HG LEU 76 -8.350 4.629 1.445 476 HD11 LEU 76 1HD1 LEU 76 -6.599 4.404 3.213 477 HD12 LEU 76 2HD1 LEU 76 -6.977 2.829 2.478 478 HD13 LEU 76 3HD1 LEU 76 -7.640 3.251 4.073 479 HD21 LEU 76 3HD2 LEU 76 -9.814 2.583 3.075 480 HD22 LEU 76 1HD2 LEU 76 -9.128 2.419 1.444 481 HD23 LEU 76 2HD2 LEU 76 -10.495 3.487 1.715 482 H VAL 77 H VAL 77 -9.397 5.724 6.638 483 HA VAL 77 HA VAL 77 -10.218 8.601 6.475 484 HB VAL 77 HB VAL 77 -10.389 8.621 8.901 485 HG11 VAL 77 1HG1 VAL 77 -12.319 8.162 7.428 486 HG12 VAL 77 2HG1 VAL 77 -12.083 6.414 7.686 487 HG13 VAL 77 3HG1 VAL 77 -12.480 7.480 9.053 488 HG21 VAL 77 3HG2 VAL 77 -8.859 6.878 9.613 489 HG22 VAL 77 1HG2 VAL 77 -10.477 6.459 10.181 490 HG23 VAL 77 2HG2 VAL 77 -9.803 5.642 8.766 491 H GLY 78 H GLY 78 -8.844 10.101 7.626 492 HA2 GLY 78 1HA GLY 78 -6.834 10.767 8.593 493 HA3 GLY 78 2HA GLY 78 -6.152 9.172 8.228 494 H LYS 79 H LYS 79 -5.332 12.072 7.609 495 HA LYS 79 HA LYS 79 -5.373 12.322 4.698 496 HB3 LYS 79 2HB LYS 79 -3.633 14.018 6.476 497 HG3 LYS 79 2HG LYS 79 -5.683 14.621 4.290 498 HD3 LYS 79 2HD LYS 79 -5.298 16.472 5.967 499 HE3 LYS 79 2HE LYS 79 -2.544 16.687 4.644 500 HZ1 LYS 79 3HZ LYS 79 -3.813 18.070 6.936 501 HZ2 LYS 79 1HZ LYS 79 -3.367 18.721 5.516 502 HZ3 LYS 79 2HZ LYS 79 -2.208 18.200 6.537 503 H ASP 80 H ASP 80 -3.993 9.969 5.994 504 HA ASP 80 HA ASP 80 -1.546 10.112 4.448 505 HB3 ASP 80 2HB ASP 80 -0.719 10.571 6.759 506 H THR 81 H THR 81 -0.773 7.929 3.959 507 HA THR 81 HA THR 81 -2.859 5.842 4.164 508 HB THR 81 HB THR 81 -1.276 6.838 1.765 509 HG1 THR 81 1HG THR 81 -3.008 7.968 1.133 510 HG21 THR 81 3HG2 THR 81 -3.725 5.109 2.047 511 HG22 THR 81 1HG2 THR 81 -2.092 4.560 1.584 512 HG23 THR 81 2HG2 THR 81 -3.027 5.629 0.510 513 H ARG 82 H ARG 82 -2.008 3.720 4.216 514 HA ARG 82 HA ARG 82 0.788 3.322 3.511 515 HB3 ARG 82 2HB ARG 82 1.385 1.948 5.427 516 HG3 ARG 82 2HG ARG 82 0.169 4.455 6.576 517 HD3 ARG 82 2HD ARG 82 2.859 3.272 7.314 518 HE ARG 82 HE ARG 82 1.307 5.508 8.027 519 HH11 ARG 82 1HH1 ARG 82 3.567 3.245 9.508 520 HH12 ARG 82 2HH1 ARG 82 3.950 4.288 10.830 521 HH21 ARG 82 1HH2 ARG 82 1.926 6.958 9.650 522 HH22 ARG 82 2HH2 ARG 82 2.957 6.448 10.944 523 H VAL 83 H VAL 83 1.190 0.785 3.733 524 HA VAL 83 HA VAL 83 -1.171 -0.846 3.104 525 HB VAL 83 HB VAL 83 1.363 -0.619 1.446 526 HG11 VAL 83 1HG1 VAL 83 0.383 -2.461 0.052 527 HG12 VAL 83 2HG1 VAL 83 0.653 -3.004 1.701 528 HG13 VAL 83 3HG1 VAL 83 -0.983 -2.575 1.175 529 HG21 VAL 83 3HG2 VAL 83 -1.528 -0.131 0.657 530 HG22 VAL 83 1HG2 VAL 83 -0.253 1.094 0.764 531 HG23 VAL 83 2HG2 VAL 83 -0.160 -0.168 -0.466 532 H PHE 84 H PHE 84 -1.040 -2.314 4.826 533 HA PHE 84 HA PHE 84 1.637 -3.169 5.769 534 HB3 PHE 84 2HB PHE 84 0.273 -4.215 7.610 535 HD1 PHE 84 1HD PHE 84 2.156 -1.608 6.976 536 HD2 PHE 84 2HD PHE 84 -1.278 -2.452 9.381 537 HE1 PHE 84 1HE PHE 84 2.775 0.258 8.453 538 HE2 PHE 84 2HE PHE 84 -0.633 -0.641 10.909 539 HZ PHE 84 HZ PHE 84 1.360 0.756 10.465 540 H ILE 85 H ILE 85 2.125 -4.469 4.121 541 HA ILE 85 HA ILE 85 0.401 -6.705 3.269 542 HB ILE 85 HB ILE 85 3.442 -6.493 2.993 543 HG13 ILE 85 2HG1 ILE 85 2.532 -4.435 2.009 544 HG21 ILE 85 1HG2 ILE 85 3.189 -8.094 1.260 545 HG22 ILE 85 2HG2 ILE 85 2.112 -8.685 2.534 546 HG23 ILE 85 3HG2 ILE 85 1.422 -7.843 1.151 547 HD11 ILE 85 3HD1 ILE 85 4.273 -5.581 0.617 548 HD12 ILE 85 1HD1 ILE 85 2.959 -6.323 -0.328 549 HD13 ILE 85 2HD1 ILE 85 3.135 -4.564 -0.292 550 H GLU 86 H GLU 86 0.221 -8.562 4.516 551 HA GLU 86 HA GLU 86 2.439 -9.428 6.115 552 HB3 GLU 86 2HB GLU 86 1.606 -8.116 7.833 553 HG3 GLU 86 2HG GLU 86 -1.145 -9.404 7.553 554 H LEU 87 H LEU 87 1.926 -11.677 7.054 555 HA LEU 87 HA LEU 87 0.530 -13.212 5.045 556 HB3 LEU 87 2HB LEU 87 1.085 -15.108 6.669 557 HG LEU 87 HG LEU 87 2.484 -14.774 4.756 558 HD11 LEU 87 1HD1 LEU 87 3.828 -12.629 6.126 559 HD12 LEU 87 2HD1 LEU 87 2.863 -12.755 4.579 560 HD13 LEU 87 3HD1 LEU 87 4.452 -13.531 4.681 561 HD21 LEU 87 3HD2 LEU 87 4.425 -14.901 7.109 562 HD22 LEU 87 1HD2 LEU 87 4.487 -15.814 5.577 563 HD23 LEU 87 2HD2 LEU 87 3.296 -16.224 6.827 564 H ASP 88 H ASP 88 -0.854 -14.824 5.765 565 HA ASP 88 HA ASP 88 -2.273 -14.667 8.260 566 HB3 ASP 88 2HB ASP 88 -4.055 -14.279 5.858 567 H GLU 89 H GLU 89 -4.192 -16.283 8.122 568 HA GLU 89 HA GLU 89 -5.098 -18.289 7.834 569 HB3 GLU 89 2HB GLU 89 -5.443 -19.101 5.524 570 HG3 GLU 89 2HG GLU 89 -6.605 -17.198 4.576 571 H ASN 90 H ASN 90 -2.255 -18.635 5.662 572 HA ASN 90 HA ASN 90 -1.273 -20.946 7.214 573 HB3 ASN 90 2HB ASN 90 -1.153 -22.357 5.079 574 HD21 ASN 90 1HD2 ASN 90 -4.403 -21.372 4.753 575 HD22 ASN 90 2HD2 ASN 90 -5.061 -22.166 6.170 576 H ALA 91 H ALA 91 -0.335 -18.233 6.641 577 HA ALA 91 HA ALA 91 1.451 -17.017 5.948 578 HB1 ALA 91 1HB ALA 91 3.552 -17.993 5.259 579 HB2 ALA 91 2HB ALA 91 2.945 -18.877 6.671 580 HB3 ALA 91 3HB ALA 91 2.842 -19.579 5.041 581 H ASP 92 H ASP 92 -0.641 -16.816 4.682 582 HA ASP 92 HA ASP 92 -0.375 -17.146 1.744 583 HB3 ASP 92 2HB ASP 92 -2.652 -16.002 1.828 584 H VAL 93 H VAL 93 -1.533 -14.746 0.871 585 HA VAL 93 HA VAL 93 0.289 -12.657 1.962 586 HB VAL 93 HB VAL 93 -0.483 -13.172 -0.979 587 HG11 VAL 93 1HG1 VAL 93 1.371 -11.198 0.386 588 HG12 VAL 93 2HG1 VAL 93 1.358 -11.501 -1.376 589 HG13 VAL 93 3HG1 VAL 93 -0.057 -10.812 -0.560 590 HG21 VAL 93 3HG2 VAL 93 0.988 -14.944 -0.273 591 HG22 VAL 93 1HG2 VAL 93 1.909 -13.803 -1.232 592 HG23 VAL 93 2HG2 VAL 93 2.028 -13.777 0.560 593 H GLN 94 H GLN 94 -1.133 -11.489 3.109 594 HA GLN 94 HA GLN 94 -3.680 -10.611 1.788 595 HB3 GLN 94 2HB GLN 94 -4.228 -10.014 4.302 596 HG3 GLN 94 2HG GLN 94 -5.791 -11.553 3.940 597 HE21 GLN 94 1HE2 GLN 94 -3.505 -14.111 3.086 598 HE22 GLN 94 2HE2 GLN 94 -3.986 -14.234 1.395 599 H VAL 95 H VAL 95 -4.471 -8.457 2.534 600 HA VAL 95 HA VAL 95 -2.255 -6.525 2.727 601 HB VAL 95 HB VAL 95 -4.758 -6.101 1.104 602 HG11 VAL 95 1HG1 VAL 95 -3.543 -4.107 2.016 603 HG12 VAL 95 2HG1 VAL 95 -2.053 -4.680 1.252 604 HG13 VAL 95 3HG1 VAL 95 -3.444 -4.194 0.252 605 HG21 VAL 95 3HG2 VAL 95 -3.221 -6.381 -0.890 606 HG22 VAL 95 1HG2 VAL 95 -1.995 -7.060 0.236 607 HG23 VAL 95 2HG2 VAL 95 -3.548 -7.871 -0.037 608 H PHE 96 H PHE 96 -2.442 -5.446 4.522 609 HA PHE 96 HA PHE 96 -5.108 -4.910 5.734 610 HB3 PHE 96 2HB PHE 96 -2.485 -5.076 7.262 611 HD1 PHE 96 2HD PHE 96 -5.589 -7.026 7.840 612 HD2 PHE 96 1HD PHE 96 -3.352 -3.520 9.019 613 HE1 PHE 96 2HE PHE 96 -7.004 -6.799 9.821 614 HE2 PHE 96 1HE PHE 96 -4.841 -3.261 10.994 615 HZ PHE 96 HZ PHE 96 -6.634 -4.889 11.426 616 H ILE 97 H ILE 97 -4.915 -2.839 7.101 617 HA ILE 97 HA ILE 97 -2.820 -1.006 6.296 618 HB ILE 97 HB ILE 97 -4.712 0.719 5.748 619 HG13 ILE 97 2HG1 ILE 97 -6.621 -0.867 6.246 620 HG21 ILE 97 1HG2 ILE 97 -4.364 0.444 3.433 621 HG22 ILE 97 2HG2 ILE 97 -2.919 -0.172 4.228 622 HG23 ILE 97 3HG2 ILE 97 -4.126 -1.316 3.593 623 HD11 ILE 97 3HD1 ILE 97 -6.612 0.152 3.376 624 HD12 ILE 97 1HD1 ILE 97 -8.013 -0.149 4.411 625 HD13 ILE 97 2HD1 ILE 97 -6.895 1.177 4.792 626 HA PRO 98 HA PRO 98 -3.707 0.329 10.440 627 HB3 PRO 98 2HB PRO 98 -1.638 1.243 10.568 628 HG3 PRO 98 2HG PRO 98 -0.572 2.144 8.674 629 HD3 PRO 98 2HD PRO 98 -1.283 0.082 7.799 630 H GLN 99 H GLN 99 -5.965 0.459 10.269 631 HA GLN 99 HA GLN 99 -7.134 3.111 9.537 632 HB3 GLN 99 2HB GLN 99 -9.213 1.583 9.063 633 HG3 GLN 99 2HG GLN 99 -8.470 1.130 6.782 634 HE21 GLN 99 1HE2 GLN 99 -5.940 3.383 6.748 635 HE22 GLN 99 2HE2 GLN 99 -6.924 4.792 6.401 636 H GLY 100 H GLY 100 -9.499 3.262 10.543 637 HA2 GLY 100 1HA GLY 100 -8.795 3.395 13.443 638 HA3 GLY 100 2HA GLY 100 -9.336 4.767 12.463 639 H GLU 101 H GLU 101 -11.464 4.003 11.036 640 HA GLU 101 HA GLU 101 -13.420 3.226 13.105 641 HB3 GLU 101 2HB GLU 101 -13.951 5.261 11.953 642 HG3 GLU 101 2HG GLU 101 -13.423 3.703 9.442 643 H ILE 102 H ILE 102 -11.930 1.185 12.700 644 HA ILE 102 HA ILE 102 -13.653 -0.678 11.133 645 HB ILE 102 HB ILE 102 -11.645 -2.191 11.044 646 HG13 ILE 102 2HG1 ILE 102 -10.284 -0.713 12.716 647 HG21 ILE 102 1HG2 ILE 102 -10.810 -1.142 8.966 648 HG22 ILE 102 2HG2 ILE 102 -12.566 -0.977 9.097 649 HG23 ILE 102 3HG2 ILE 102 -11.526 0.412 9.452 650 HD11 ILE 102 3HD1 ILE 102 -8.128 -1.285 11.722 651 HD12 ILE 102 1HD1 ILE 102 -9.261 -2.645 11.608 652 HD13 ILE 102 2HD1 ILE 102 -8.913 -1.653 10.171 653 H ASP 103 H ASP 103 -14.716 0.042 13.356 654 HA ASP 103 HA ASP 103 -14.652 -2.505 14.775 655 HB3 ASP 103 2HB ASP 103 -14.391 0.120 16.286 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -7.291 24.597 -6.124 2 HA2 GLY 1 1HA GLY 1 -5.034 24.365 -5.368 3 HA3 GLY 1 2HA GLY 1 -4.527 25.467 -6.670 4 H ALA 2 H ALA 2 -4.373 25.615 -3.568 5 HA ALA 2 HA ALA 2 -5.805 28.212 -3.187 6 HB1 ALA 2 1HB ALA 2 -4.937 26.051 -1.218 7 HB2 ALA 2 2HB ALA 2 -5.611 27.625 -0.769 8 HB3 ALA 2 3HB ALA 2 -6.603 26.474 -1.682 9 H GLN 3 H GLN 3 -4.638 29.774 -1.828 10 HA GLN 3 HA GLN 3 -1.913 30.161 -2.682 11 HB3 GLN 3 2HB GLN 3 -1.967 32.143 -1.220 12 HG3 GLN 3 2HG GLN 3 -4.611 31.941 -2.717 13 HE21 GLN 3 1HE2 GLN 3 -4.279 33.701 -0.418 14 HE22 GLN 3 2HE2 GLN 3 -4.099 35.313 -1.100 15 H ASP 4 H ASP 4 -3.022 28.025 -0.359 16 HA ASP 4 HA ASP 4 -0.410 27.671 0.717 17 HB3 ASP 4 2HB ASP 4 -2.774 28.157 2.572 18 H GLY 5 H GLY 5 -0.297 25.690 -0.125 19 HA2 GLY 5 1HA GLY 5 -2.243 23.611 0.262 20 HA3 GLY 5 2HA GLY 5 -2.379 24.373 -1.346 21 H LYS 6 H LYS 6 0.044 23.161 0.972 22 HA LYS 6 HA LYS 6 1.675 21.831 -1.098 23 HB3 LYS 6 2HB LYS 6 2.786 23.974 0.784 24 HG3 LYS 6 2HG LYS 6 3.910 22.488 -1.648 25 HD3 LYS 6 2HD LYS 6 4.796 25.101 -0.344 26 HE3 LYS 6 2HE LYS 6 6.292 23.223 -2.219 27 HZ1 LYS 6 3HZ LYS 6 6.577 25.310 -3.193 28 HZ2 LYS 6 1HZ LYS 6 7.901 25.127 -2.278 29 HZ3 LYS 6 2HZ LYS 6 6.690 26.109 -1.747 30 H GLU 7 H GLU 7 0.007 20.655 0.705 31 HA GLU 7 HA GLU 7 1.947 19.022 2.136 32 HB3 GLU 7 2HB GLU 7 -0.669 19.711 3.482 33 HG3 GLU 7 2HG GLU 7 0.597 17.489 3.882 34 H THR 8 H THR 8 1.733 17.588 0.542 35 HA THR 8 HA THR 8 -0.867 16.820 -0.550 36 HB THR 8 HB THR 8 1.095 16.937 -1.967 37 HG1 THR 8 1HG THR 8 0.827 14.939 -2.985 38 HG21 THR 8 3HG2 THR 8 2.887 16.082 -0.598 39 HG22 THR 8 1HG2 THR 8 2.752 15.108 -2.061 40 HG23 THR 8 2HG2 THR 8 2.132 14.491 -0.518 41 H THR 9 H THR 9 -0.528 14.089 -0.714 42 HA THR 9 HA THR 9 -0.796 13.218 2.164 43 HB THR 9 HB THR 9 -1.854 11.091 0.907 44 HG1 THR 9 1HG THR 9 -3.085 11.677 -0.795 45 HG21 THR 9 3HG2 THR 9 -2.778 12.385 2.732 46 HG22 THR 9 1HG2 THR 9 -4.033 12.029 1.566 47 HG23 THR 9 2HG2 THR 9 -3.301 13.661 1.621 48 H THR 10 H THR 10 0.028 11.079 2.725 49 HA THR 10 HA THR 10 2.346 10.310 1.060 50 HB THR 10 HB THR 10 2.093 10.325 4.103 51 HG1 THR 10 1HG THR 10 2.236 12.413 3.333 52 HG21 THR 10 3HG2 THR 10 4.500 9.798 2.287 53 HG22 THR 10 1HG2 THR 10 3.735 8.634 3.402 54 HG23 THR 10 2HG2 THR 10 4.576 10.040 4.047 55 H ILE 11 H ILE 11 2.953 7.987 1.317 56 HA ILE 11 HA ILE 11 0.883 6.185 2.308 57 HB ILE 11 HB ILE 11 2.131 5.935 -0.469 58 HG13 ILE 11 2HG1 ILE 11 -0.514 7.068 0.375 59 HG21 ILE 11 1HG2 ILE 11 0.620 3.990 -0.740 60 HG22 ILE 11 2HG2 ILE 11 1.772 3.761 0.548 61 HG23 ILE 11 3HG2 ILE 11 0.089 4.167 0.945 62 HD11 ILE 11 3HD1 ILE 11 1.062 8.478 -0.899 63 HD12 ILE 11 1HD1 ILE 11 1.129 7.254 -2.184 64 HD13 ILE 11 2HD1 ILE 11 -0.390 8.113 -1.860 65 H ARG 12 H ARG 12 1.908 4.203 3.004 66 HA ARG 12 HA ARG 12 4.843 4.035 2.784 67 HB3 ARG 12 2HB ARG 12 3.421 3.795 5.461 68 HG3 ARG 12 2HG ARG 12 5.820 4.716 6.110 69 HD3 ARG 12 2HD ARG 12 5.687 1.793 5.403 70 HE ARG 12 HE ARG 12 7.767 3.003 6.503 71 HH11 ARG 12 1HH1 ARG 12 5.184 1.748 8.697 72 HH12 ARG 12 2HH1 ARG 12 6.367 1.068 9.737 73 HH21 ARG 12 1HH2 ARG 12 9.151 2.271 8.058 74 HH22 ARG 12 2HH2 ARG 12 8.556 1.489 9.504 75 H LEU 13 H LEU 13 5.406 2.089 2.233 76 HA LEU 13 HA LEU 13 3.422 -0.172 2.346 77 HB3 LEU 13 2HB LEU 13 5.252 -1.049 0.589 78 HG LEU 13 HG LEU 13 4.147 0.287 -1.313 79 HD11 LEU 13 1HD1 LEU 13 1.952 -0.982 -1.006 80 HD12 LEU 13 2HD1 LEU 13 2.641 -1.544 0.546 81 HD13 LEU 13 3HD1 LEU 13 3.464 -1.920 -0.974 82 HD21 LEU 13 3HD2 LEU 13 2.197 1.117 0.873 83 HD22 LEU 13 1HD2 LEU 13 2.045 1.405 -0.865 84 HD23 LEU 13 2HD2 LEU 13 3.344 2.190 0.061 85 H ILE 14 H ILE 14 3.913 -1.874 3.735 86 HA ILE 14 HA ILE 14 6.740 -2.242 4.532 87 HB ILE 14 HB ILE 14 4.324 -2.817 6.286 88 HG13 ILE 14 2HG1 ILE 14 5.934 -0.243 6.149 89 HG21 ILE 14 1HG2 ILE 14 6.637 -3.933 6.544 90 HG22 ILE 14 2HG2 ILE 14 7.238 -2.348 7.039 91 HG23 ILE 14 3HG2 ILE 14 5.957 -3.144 7.965 92 HD11 ILE 14 3HD1 ILE 14 3.718 0.128 5.228 93 HD12 ILE 14 1HD1 ILE 14 2.967 -0.902 6.454 94 HD13 ILE 14 2HD1 ILE 14 3.617 0.668 6.910 95 H ASN 15 H ASN 15 7.458 -4.160 3.777 96 HA ASN 15 HA ASN 15 5.637 -6.338 3.072 97 HB3 ASN 15 2HB ASN 15 8.647 -6.475 3.154 98 HD21 ASN 15 1HD2 ASN 15 9.494 -7.934 1.637 99 HD22 ASN 15 2HD2 ASN 15 8.479 -9.195 0.956 100 H GLN 16 H GLN 16 4.797 -7.574 4.858 101 HA GLN 16 HA GLN 16 6.592 -7.878 7.205 102 HB3 GLN 16 2HB GLN 16 4.804 -7.759 8.673 103 HG3 GLN 16 2HG GLN 16 4.035 -5.573 6.675 104 HE21 GLN 16 1HE2 GLN 16 4.852 -6.315 10.117 105 HE22 GLN 16 2HE2 GLN 16 3.686 -5.155 10.753 106 H THR 17 H THR 17 6.359 -9.530 4.743 107 HA THR 17 HA THR 17 5.274 -12.083 5.794 108 HB THR 17 HB THR 17 5.458 -12.628 3.272 109 HG1 THR 17 1HG THR 17 5.481 -10.700 1.996 110 HG21 THR 17 3HG2 THR 17 3.632 -10.359 4.117 111 HG22 THR 17 1HG2 THR 17 3.337 -12.088 4.434 112 HG23 THR 17 2HG2 THR 17 3.342 -11.473 2.783 113 H TYR 18 H TYR 18 6.404 -13.971 4.770 114 HA TYR 18 HA TYR 18 9.290 -13.929 5.369 115 HB3 TYR 18 2HB TYR 18 8.089 -15.634 6.432 116 HD1 TYR 18 2HD TYR 18 7.570 -16.427 2.692 117 HD2 TYR 18 1HD TYR 18 6.458 -17.234 6.807 118 HE1 TYR 18 2HE TYR 18 5.779 -17.912 1.939 119 HE2 TYR 18 1HE TYR 18 4.706 -18.762 6.016 120 HH TYR 18 HH TYR 18 3.525 -18.781 2.923 121 H PHE 19 H PHE 19 8.271 -12.596 2.817 122 HA PHE 19 HA PHE 19 10.019 -14.086 0.970 123 HB3 PHE 19 2HB PHE 19 7.929 -15.019 0.420 124 HD1 PHE 19 1HD PHE 19 7.381 -11.332 -0.425 125 HD2 PHE 19 2HD PHE 19 5.586 -15.086 0.869 126 HE1 PHE 19 1HE PHE 19 5.153 -10.270 -0.271 127 HE2 PHE 19 2HE PHE 19 3.462 -13.972 1.053 128 HZ PHE 19 HZ PHE 19 3.207 -11.601 0.439 129 H ASN 20 H ASN 20 9.784 -12.577 -1.270 130 HA ASN 20 HA ASN 20 10.425 -9.765 -0.453 131 HB3 ASN 20 2HB ASN 20 11.821 -11.539 -2.518 132 HD21 ASN 20 1HD2 ASN 20 12.630 -10.357 -4.297 133 HD22 ASN 20 2HD2 ASN 20 12.861 -8.623 -4.225 134 H VAL 21 H VAL 21 9.677 -8.208 -2.053 135 HA VAL 21 HA VAL 21 8.102 -9.356 -4.343 136 HB VAL 21 HB VAL 21 6.457 -7.501 -4.010 137 HG11 VAL 21 1HG1 VAL 21 5.501 -9.490 -3.531 138 HG12 VAL 21 2HG1 VAL 21 6.534 -9.827 -2.119 139 HG13 VAL 21 3HG1 VAL 21 5.222 -8.636 -2.035 140 HG21 VAL 21 3HG2 VAL 21 6.181 -6.531 -1.736 141 HG22 VAL 21 1HG2 VAL 21 7.524 -7.495 -1.121 142 HG23 VAL 21 2HG2 VAL 21 7.839 -6.220 -2.303 143 H LYS 22 H LYS 22 8.004 -7.980 -6.229 144 HA LYS 22 HA LYS 22 10.164 -5.901 -6.356 145 HB3 LYS 22 2HB LYS 22 11.083 -8.123 -6.728 146 HG3 LYS 22 2HG LYS 22 10.485 -8.976 -9.196 147 HD3 LYS 22 2HD LYS 22 9.047 -9.840 -6.684 148 HE3 LYS 22 2HE LYS 22 8.187 -10.212 -9.404 149 HZ1 LYS 22 3HZ LYS 22 8.051 -12.619 -9.420 150 HZ2 LYS 22 1HZ LYS 22 8.912 -12.769 -8.083 151 HZ3 LYS 22 2HZ LYS 22 9.611 -12.154 -9.456 152 H ASN 23 H ASN 23 7.120 -5.881 -6.771 153 HA ASN 23 HA ASN 23 7.080 -4.223 -9.133 154 HB3 ASN 23 2HB ASN 23 7.261 -6.263 -10.393 155 HD21 ASN 23 1HD2 ASN 23 4.651 -6.804 -7.977 156 HD22 ASN 23 2HD2 ASN 23 5.235 -8.478 -7.621 157 H ILE 24 H ILE 24 6.217 -3.562 -6.655 158 HA ILE 24 HA ILE 24 3.447 -4.548 -6.263 159 HB ILE 24 HB ILE 24 5.010 -2.716 -4.397 160 HG13 ILE 24 2HG1 ILE 24 5.279 -5.680 -4.854 161 HG21 ILE 24 1HG2 ILE 24 2.575 -2.891 -4.035 162 HG22 ILE 24 2HG2 ILE 24 2.711 -4.662 -3.945 163 HG23 ILE 24 3HG2 ILE 24 3.506 -3.636 -2.732 164 HD11 ILE 24 3HD1 ILE 24 7.186 -3.771 -3.443 165 HD12 ILE 24 1HD1 ILE 24 7.555 -5.294 -4.257 166 HD13 ILE 24 2HD1 ILE 24 7.176 -3.874 -5.207 167 H LYS 25 H LYS 25 1.979 -3.480 -7.397 168 HA LYS 25 HA LYS 25 2.269 -0.622 -8.036 169 HB3 LYS 25 2HB LYS 25 -0.370 -1.636 -8.391 170 HG3 LYS 25 2HG LYS 25 1.738 -1.302 -10.535 171 HD3 LYS 25 2HD LYS 25 -0.201 -2.415 -11.386 172 HE3 LYS 25 2HE LYS 25 -1.703 -0.042 -10.188 173 HZ1 LYS 25 3HZ LYS 25 -2.689 -0.437 -12.185 174 HZ2 LYS 25 1HZ LYS 25 -3.673 -1.177 -11.144 175 HZ3 LYS 25 2HZ LYS 25 -2.668 -2.085 -12.084 176 H VAL 26 H VAL 26 1.095 0.969 -6.988 177 HA VAL 26 HA VAL 26 -1.047 0.048 -5.212 178 HB VAL 26 HB VAL 26 0.950 0.549 -3.810 179 HG11 VAL 26 1HG1 VAL 26 1.612 2.899 -3.482 180 HG12 VAL 26 2HG1 VAL 26 2.132 2.217 -5.041 181 HG13 VAL 26 3HG1 VAL 26 0.753 3.335 -4.939 182 HG21 VAL 26 3HG2 VAL 26 -1.321 0.830 -2.909 183 HG22 VAL 26 1HG2 VAL 26 -0.165 1.975 -2.195 184 HG23 VAL 26 2HG2 VAL 26 -1.311 2.530 -3.435 185 H THR 27 H THR 27 -2.835 1.318 -5.399 186 HA THR 27 HA THR 27 -2.723 3.733 -7.102 187 HB THR 27 HB THR 27 -5.196 2.079 -6.697 188 HG1 THR 27 1HG THR 27 -3.928 0.502 -7.401 189 HG21 THR 27 3HG2 THR 27 -4.242 3.749 -9.053 190 HG22 THR 27 1HG2 THR 27 -5.369 4.253 -7.802 191 HG23 THR 27 2HG2 THR 27 -5.806 2.938 -8.907 192 H TRP 28 H TRP 28 -3.828 5.507 -6.037 193 HA TRP 28 HA TRP 28 -4.941 4.993 -3.291 194 HB3 TRP 28 2HB TRP 28 -2.584 5.572 -3.090 195 HD1 TRP 28 HD TRP 28 -3.487 9.234 -3.647 196 HE1 TRP 28 1HE TRP 28 -1.734 10.273 -5.164 197 HE3 TRP 28 3HE TRP 28 -1.283 4.958 -5.275 198 HZ2 TRP 28 2HZ TRP 28 0.698 9.343 -6.587 199 HZ3 TRP 28 3HZ TRP 28 0.824 5.016 -6.522 200 HH2 TRP 28 HH TRP 28 1.811 7.255 -7.229 201 H ASN 29 H ASN 29 -5.951 5.848 -6.087 202 HA ASN 29 HA ASN 29 -7.827 7.841 -5.416 203 HB3 ASN 29 2HB ASN 29 -6.285 9.316 -7.378 204 HD21 ASN 29 1HD2 ASN 29 -6.176 9.398 -3.791 205 HD22 ASN 29 2HD2 ASN 29 -6.858 11.009 -3.655 206 H ASP 30 H ASP 30 -8.605 8.818 -7.693 207 HA ASP 30 HA ASP 30 -9.051 6.512 -9.467 208 HB3 ASP 30 2HB ASP 30 -10.205 9.336 -9.474 209 H GLY 31 H GLY 31 -6.940 6.363 -10.374 210 HA2 GLY 31 1HA GLY 31 -5.858 6.714 -12.469 211 HA3 GLY 31 2HA GLY 31 -6.423 8.391 -12.500 212 H LYS 32 H LYS 32 -4.799 6.883 -9.706 213 HA LYS 32 HA LYS 32 -2.287 8.250 -10.346 214 HB3 LYS 32 2HB LYS 32 -2.640 8.472 -7.529 215 HG3 LYS 32 2HG LYS 32 -2.790 10.926 -7.986 216 HD3 LYS 32 2HD LYS 32 -0.662 9.216 -9.081 217 HE3 LYS 32 2HE LYS 32 -0.869 10.647 -11.060 218 HZ1 LYS 32 3HZ LYS 32 -1.894 12.646 -10.316 219 HZ2 LYS 32 1HZ LYS 32 -0.366 13.044 -10.702 220 HZ3 LYS 32 2HZ LYS 32 -0.787 12.919 -9.145 221 H GLU 33 H GLU 33 -0.876 6.715 -10.526 222 HA GLU 33 HA GLU 33 -0.883 4.422 -8.660 223 HB3 GLU 33 2HB GLU 33 -0.127 3.652 -11.358 224 HG3 GLU 33 2HG GLU 33 -2.368 2.958 -9.506 225 H GLN 34 H GLN 34 1.116 3.630 -8.223 226 HA GLN 34 HA GLN 34 3.421 4.221 -9.868 227 HB3 GLN 34 2HB GLN 34 3.346 6.196 -8.293 228 HG3 GLN 34 2HG GLN 34 3.048 4.365 -6.182 229 HE21 GLN 34 1HE2 GLN 34 4.530 2.986 -5.068 230 HE22 GLN 34 2HE2 GLN 34 6.269 3.278 -5.173 231 H THR 35 H THR 35 5.404 2.971 -8.839 232 HA THR 35 HA THR 35 4.316 0.508 -7.634 233 HB THR 35 HB THR 35 5.505 -0.825 -9.255 234 HG1 THR 35 1HG THR 35 6.093 1.316 -10.918 235 HG21 THR 35 3HG2 THR 35 4.191 -0.504 -11.193 236 HG22 THR 35 1HG2 THR 35 3.948 1.230 -10.858 237 HG23 THR 35 2HG2 THR 35 3.213 0.024 -9.810 238 H VAL 36 H VAL 36 5.782 -0.576 -6.309 239 HA VAL 36 HA VAL 36 8.140 0.994 -5.418 240 HB VAL 36 HB VAL 36 6.913 -1.613 -4.453 241 HG11 VAL 36 1HG1 VAL 36 8.511 -1.486 -2.569 242 HG12 VAL 36 2HG1 VAL 36 9.363 -1.650 -4.111 243 HG13 VAL 36 3HG1 VAL 36 9.268 -0.073 -3.313 244 HG21 VAL 36 3HG2 VAL 36 7.001 1.164 -3.191 245 HG22 VAL 36 1HG2 VAL 36 5.559 0.347 -3.836 246 HG23 VAL 36 2HG2 VAL 36 6.371 -0.301 -2.404 247 H ASN 37 H ASN 37 10.149 0.435 -5.962 248 HA ASN 37 HA ASN 37 10.845 -1.071 -8.259 249 HB3 ASN 37 2HB ASN 37 12.277 0.219 -5.946 250 HD21 ASN 37 1HD2 ASN 37 13.258 -1.859 -8.798 251 HD22 ASN 37 2HD2 ASN 37 14.789 -2.265 -8.002 252 H THR 38 H THR 38 11.945 -1.946 -4.924 253 HA THR 38 HA THR 38 10.708 -4.545 -5.098 254 HB THR 38 HB THR 38 13.685 -4.194 -4.599 255 HG1 THR 38 1HG THR 38 13.332 -3.892 -6.743 256 HG21 THR 38 3HG2 THR 38 12.686 -6.193 -3.480 257 HG22 THR 38 1HG2 THR 38 13.894 -6.595 -4.705 258 HG23 THR 38 2HG2 THR 38 12.168 -6.773 -5.086 259 H LEU 39 H LEU 39 10.495 -5.410 -2.912 260 HA LEU 39 HA LEU 39 11.079 -3.478 -0.762 261 HB3 LEU 39 2HB LEU 39 8.505 -5.042 -0.715 262 HG LEU 39 HG LEU 39 7.739 -3.659 0.898 263 HD11 LEU 39 1HD1 LEU 39 9.729 -4.999 1.687 264 HD12 LEU 39 2HD1 LEU 39 9.321 -3.568 2.642 265 HD13 LEU 39 3HD1 LEU 39 10.657 -3.544 1.452 266 HD21 LEU 39 3HD2 LEU 39 8.778 -1.501 1.580 267 HD22 LEU 39 1HD2 LEU 39 8.328 -1.419 -0.147 268 HD23 LEU 39 2HD2 LEU 39 10.025 -1.686 0.350 269 H GLY 40 H GLY 40 12.469 -4.483 0.357 270 HA2 GLY 40 1HA GLY 40 13.268 -7.156 0.151 271 HA3 GLY 40 2HA GLY 40 13.766 -6.002 1.382 272 H SER 41 H SER 41 13.838 -8.302 2.381 273 HA SER 41 HA SER 41 11.432 -9.454 3.457 274 HB3 SER 41 2HB SER 41 12.934 -11.056 3.746 275 HG SER 41 HG SER 41 15.327 -9.702 3.899 276 H HIS 42 H HIS 42 10.214 -8.430 4.958 277 HA HIS 42 HA HIS 42 9.582 -7.074 6.621 278 HB3 HIS 42 2HB HIS 42 11.454 -7.079 8.590 279 HD1 HIS 42 1HD HIS 42 10.198 -8.108 10.654 280 HD2 HIS 42 2HD HIS 42 8.850 -9.461 6.887 281 HE1 HIS 42 1HE HIS 42 8.125 -9.480 11.089 282 H ASP 43 H ASP 43 10.759 -5.709 4.370 283 HA ASP 43 HA ASP 43 12.230 -3.414 5.596 284 HB3 ASP 43 2HB ASP 43 11.840 -2.879 2.923 285 H SER 44 H SER 44 11.435 -1.344 4.305 286 HA SER 44 HA SER 44 8.591 -1.198 3.927 287 HB3 SER 44 2HB SER 44 8.473 -0.726 6.242 288 HG SER 44 HG SER 44 10.518 1.247 5.953 289 H ILE 45 H ILE 45 8.011 1.117 3.110 290 HA ILE 45 HA ILE 45 10.165 2.931 2.656 291 HB ILE 45 HB ILE 45 10.403 1.498 0.678 292 HG13 ILE 45 2HG1 ILE 45 10.891 3.973 0.778 293 HG21 ILE 45 1HG2 ILE 45 8.010 0.829 0.383 294 HG22 ILE 45 2HG2 ILE 45 7.674 2.454 -0.230 295 HG23 ILE 45 3HG2 ILE 45 8.777 1.380 -1.114 296 HD11 ILE 45 3HD1 ILE 45 10.474 2.692 -1.941 297 HD12 ILE 45 1HD1 ILE 45 11.471 4.119 -1.605 298 HD13 ILE 45 2HD1 ILE 45 11.917 2.554 -0.909 299 H ASP 46 H ASP 46 9.250 5.054 2.147 300 HA ASP 46 HA ASP 46 6.336 5.203 1.971 301 HB3 ASP 46 2HB ASP 46 6.431 6.076 4.149 302 H PHE 47 H PHE 47 5.589 6.773 0.647 303 HA PHE 47 HA PHE 47 7.535 8.463 -0.796 304 HB3 PHE 47 2HB PHE 47 7.632 6.712 -2.324 305 HD1 PHE 47 1HD PHE 47 7.130 4.554 -1.365 306 HD2 PHE 47 2HD PHE 47 4.033 7.002 -3.091 307 HE1 PHE 47 1HE PHE 47 5.578 2.604 -1.337 308 HE2 PHE 47 2HE PHE 47 2.525 5.036 -3.145 309 HZ PHE 47 HZ PHE 47 3.253 2.870 -2.163 310 H SER 48 H SER 48 6.615 10.351 -1.597 311 HA SER 48 HA SER 48 4.128 11.200 -0.484 312 HB3 SER 48 2HB SER 48 5.028 12.716 -2.831 313 HG SER 48 HG SER 48 5.320 13.343 -0.084 314 H SER 49 H SER 49 2.269 11.635 -1.544 315 HA SER 49 HA SER 49 1.494 9.988 -3.875 316 HB3 SER 49 2HB SER 49 0.023 10.374 -1.811 317 HG SER 49 HG SER 49 0.364 12.456 -1.412 318 H ASP 50 H ASP 50 -0.038 11.552 -5.374 319 HA ASP 50 HA ASP 50 0.964 14.286 -5.689 320 HB3 ASP 50 2HB ASP 50 0.702 12.365 -8.002 321 H ALA 51 H ALA 51 -1.106 14.098 -4.366 322 HA ALA 51 HA ALA 51 -3.515 14.140 -6.076 323 HB1 ALA 51 1HB ALA 51 -3.018 11.744 -5.699 324 HB2 ALA 51 2HB ALA 51 -3.102 12.004 -3.930 325 HB3 ALA 51 3HB ALA 51 -4.550 12.236 -4.939 326 H GLY 52 H GLY 52 -1.938 14.922 -3.013 327 HA2 GLY 52 1HA GLY 52 -2.535 16.565 -1.568 328 HA3 GLY 52 2HA GLY 52 -4.010 16.837 -2.454 329 H SER 53 H SER 53 -5.029 14.074 -2.218 330 HA SER 53 HA SER 53 -5.344 13.559 0.654 331 HB3 SER 53 2HB SER 53 -7.751 13.591 0.524 332 HG SER 53 HG SER 53 -8.178 15.760 0.103 333 H VAL 54 H VAL 54 -6.333 11.358 0.977 334 HA VAL 54 HA VAL 54 -7.163 9.826 -1.254 335 HB VAL 54 HB VAL 54 -4.983 9.238 -1.488 336 HG11 VAL 54 1HG1 VAL 54 -4.481 8.835 1.468 337 HG12 VAL 54 2HG1 VAL 54 -3.353 8.527 0.127 338 HG13 VAL 54 3HG1 VAL 54 -3.871 10.158 0.442 339 HG21 VAL 54 3HG2 VAL 54 -6.016 7.139 0.504 340 HG22 VAL 54 1HG2 VAL 54 -6.465 7.225 -1.220 341 HG23 VAL 54 2HG2 VAL 54 -4.805 6.852 -0.728 342 H TYR 55 H TYR 55 -8.510 8.172 -0.649 343 HA TYR 55 HA TYR 55 -8.967 7.542 2.164 344 HB3 TYR 55 2HB TYR 55 -10.541 9.187 2.089 345 HD1 TYR 55 1HD TYR 55 -10.954 7.465 -1.287 346 HD2 TYR 55 2HD TYR 55 -11.763 10.929 1.178 347 HE1 TYR 55 1HE TYR 55 -11.990 8.579 -3.204 348 HE2 TYR 55 2HE TYR 55 -12.775 12.067 -0.780 349 HH TYR 55 HH TYR 55 -13.676 11.649 -2.962 350 H LYS 56 H LYS 56 -7.978 6.216 -0.572 351 HA LYS 56 HA LYS 56 -9.358 3.709 -0.187 352 HB3 LYS 56 2HB LYS 56 -10.928 4.877 -1.701 353 HG3 LYS 56 2HG LYS 56 -8.627 4.943 -3.708 354 HD3 LYS 56 2HD LYS 56 -11.179 6.381 -4.195 355 HE3 LYS 56 2HE LYS 56 -9.912 4.246 -5.946 356 HZ1 LYS 56 3HZ LYS 56 -11.993 5.503 -6.547 357 HZ2 LYS 56 1HZ LYS 56 -10.818 5.543 -7.678 358 HZ3 LYS 56 2HZ LYS 56 -11.072 6.852 -6.690 359 H MET 57 H MET 57 -8.230 1.975 -1.536 360 HA MET 57 HA MET 57 -5.642 2.775 -2.585 361 HB3 MET 57 2HB MET 57 -5.774 1.280 0.085 362 HG3 MET 57 2HG MET 57 -3.602 1.610 -1.913 363 HE1 MET 57 3HE MET 57 -2.217 4.742 -0.206 364 HE2 MET 57 1HE MET 57 -1.895 3.808 -1.686 365 HE3 MET 57 2HE MET 57 -3.570 4.194 -1.205 366 H ASP 58 H ASP 58 -5.936 1.586 -4.399 367 HA ASP 58 HA ASP 58 -6.645 -1.299 -4.217 368 HB3 ASP 58 2HB ASP 58 -6.485 -1.069 -6.787 369 H VAL 59 H VAL 59 -4.829 -1.980 -3.194 370 HA VAL 59 HA VAL 59 -2.164 -1.787 -4.377 371 HB VAL 59 HB VAL 59 -3.177 -3.823 -2.337 372 HG11 VAL 59 1HG1 VAL 59 -0.969 -4.265 -3.267 373 HG12 VAL 59 2HG1 VAL 59 -0.444 -2.604 -2.955 374 HG13 VAL 59 3HG1 VAL 59 -0.800 -3.721 -1.603 375 HG21 VAL 59 3HG2 VAL 59 -2.423 -2.312 -0.535 376 HG22 VAL 59 1HG2 VAL 59 -2.211 -1.003 -1.717 377 HG23 VAL 59 2HG2 VAL 59 -3.825 -1.696 -1.386 378 H THR 60 H THR 60 -1.140 -3.403 -5.663 379 HA THR 60 HA THR 60 -2.274 -6.014 -5.905 380 HB THR 60 HB THR 60 -3.772 -5.205 -7.502 381 HG1 THR 60 1HG THR 60 -2.292 -6.829 -8.467 382 HG21 THR 60 3HG2 THR 60 -3.327 -3.587 -9.253 383 HG22 THR 60 1HG2 THR 60 -1.692 -3.361 -8.562 384 HG23 THR 60 2HG2 THR 60 -3.140 -2.921 -7.622 385 H GLY 61 H GLY 61 -0.516 -7.311 -5.980 386 HA2 GLY 61 1HA GLY 61 1.791 -6.505 -7.616 387 HA3 GLY 61 2HA GLY 61 2.113 -6.641 -5.880 388 H THR 62 H THR 62 3.625 -8.252 -6.956 389 HA THR 62 HA THR 62 2.495 -10.937 -6.855 390 HB THR 62 HB THR 62 4.637 -10.283 -8.865 391 HG1 THR 62 1HG THR 62 2.163 -10.409 -9.999 392 HG21 THR 62 3HG2 THR 62 3.697 -12.259 -10.015 393 HG22 THR 62 1HG2 THR 62 2.422 -12.397 -8.765 394 HG23 THR 62 2HG2 THR 62 4.125 -12.616 -8.329 395 H THR 63 H THR 63 3.851 -12.371 -5.715 396 HA THR 63 HA THR 63 6.085 -11.241 -4.226 397 HB THR 63 HB THR 63 6.041 -13.218 -3.015 398 HG1 THR 63 1HG THR 63 4.972 -15.041 -3.686 399 HG21 THR 63 3HG2 THR 63 3.858 -13.399 -2.179 400 HG22 THR 63 1HG2 THR 63 3.103 -13.069 -3.723 401 HG23 THR 63 2HG2 THR 63 3.909 -11.751 -2.837 402 H GLN 64 H GLN 64 8.097 -12.489 -3.987 403 HA GLN 64 HA GLN 64 9.718 -12.773 -6.191 404 HB3 GLN 64 2HB GLN 64 9.689 -14.201 -3.523 405 HG3 GLN 64 2HG GLN 64 12.241 -14.304 -4.048 406 HE21 GLN 64 1HE2 GLN 64 10.985 -16.068 -2.698 407 HE22 GLN 64 2HE2 GLN 64 10.768 -17.558 -3.558 408 H SER 65 H SER 65 7.564 -15.260 -4.742 409 HA SER 65 HA SER 65 8.226 -17.111 -6.918 410 HB3 SER 65 2HB SER 65 6.349 -17.989 -4.786 411 HG SER 65 HG SER 65 8.502 -19.453 -4.904 412 H GLY 66 H GLY 66 6.734 -14.763 -7.631 413 HA2 GLY 66 1HA GLY 66 5.226 -14.368 -9.272 414 HA3 GLY 66 2HA GLY 66 5.120 -16.098 -9.454 415 H GLU 67 H GLU 67 4.081 -15.307 -6.318 416 HA GLU 67 HA GLU 67 1.313 -15.869 -7.063 417 HB3 GLU 67 2HB GLU 67 1.299 -15.667 -4.353 418 HG3 GLU 67 2HG GLU 67 2.724 -17.879 -5.865 419 H LYS 68 H LYS 68 -0.335 -14.383 -7.129 420 HA LYS 68 HA LYS 68 0.535 -11.656 -6.709 421 HB3 LYS 68 2HB LYS 68 -0.214 -12.822 -8.952 422 HG3 LYS 68 2HG LYS 68 -2.820 -11.730 -7.879 423 HD3 LYS 68 2HD LYS 68 -2.665 -12.477 -10.743 424 HE3 LYS 68 2HE LYS 68 -4.310 -10.700 -10.965 425 HZ1 LYS 68 3HZ LYS 68 -4.928 -12.205 -8.502 426 HZ2 LYS 68 1HZ LYS 68 -5.249 -12.742 -10.014 427 HZ3 LYS 68 2HZ LYS 68 -6.022 -11.414 -9.359 428 H PHE 69 H PHE 69 -0.562 -10.319 -5.625 429 HA PHE 69 HA PHE 69 -2.781 -11.228 -3.884 430 HB3 PHE 69 2HB PHE 69 -0.768 -11.284 -2.645 431 HD1 PHE 69 1HD PHE 69 1.379 -11.067 -3.866 432 HD2 PHE 69 2HD PHE 69 -0.808 -7.590 -2.516 433 HE1 PHE 69 1HE PHE 69 3.405 -9.675 -4.089 434 HE2 PHE 69 2HE PHE 69 1.227 -6.212 -2.766 435 HZ PHE 69 HZ PHE 69 3.355 -7.248 -3.548 436 H THR 70 H THR 70 -4.315 -9.576 -3.336 437 HA THR 70 HA THR 70 -3.863 -6.851 -4.362 438 HB THR 70 HB THR 70 -6.104 -6.722 -5.374 439 HG1 THR 70 1HG THR 70 -6.530 -9.128 -4.456 440 HG21 THR 70 3HG2 THR 70 -4.030 -7.070 -6.700 441 HG22 THR 70 1HG2 THR 70 -5.539 -7.508 -7.512 442 HG23 THR 70 2HG2 THR 70 -4.461 -8.778 -6.862 443 H GLY 71 H GLY 71 -4.997 -5.266 -3.377 444 HA2 GLY 71 1HA GLY 71 -6.375 -6.033 -0.826 445 HA3 GLY 71 2HA GLY 71 -5.676 -4.467 -1.238 446 H HIS 72 H HIS 72 -6.774 -3.097 -2.656 447 HA HIS 72 HA HIS 72 -8.438 -1.991 -3.564 448 HB3 HIS 72 2HB HIS 72 -10.386 -2.927 -4.489 449 HD1 HIS 72 1HD HIS 72 -8.607 -2.831 -6.688 450 HD2 HIS 72 2HD HIS 72 -9.007 -6.395 -4.448 451 HE1 HIS 72 1HE HIS 72 -7.722 -4.702 -8.146 452 H PHE 73 H PHE 73 -8.132 -1.060 -1.392 453 HA PHE 73 HA PHE 73 -10.404 -1.483 0.461 454 HB3 PHE 73 2HB PHE 73 -9.086 -0.156 1.988 455 HD1 PHE 73 1HD PHE 73 -9.446 -2.719 2.529 456 HD2 PHE 73 2HD PHE 73 -6.053 -1.137 0.394 457 HE1 PHE 73 1HE PHE 73 -8.127 -4.756 3.103 458 HE2 PHE 73 2HE PHE 73 -4.725 -3.090 1.055 459 HZ PHE 73 HZ PHE 73 -5.786 -4.951 2.381 460 H LYS 74 H LYS 74 -11.590 0.307 1.228 461 HA LYS 74 HA LYS 74 -11.644 2.834 -0.305 462 HB3 LYS 74 2HB LYS 74 -14.161 2.487 -0.521 463 HG3 LYS 74 2HG LYS 74 -12.392 2.121 -2.418 464 HD3 LYS 74 2HD LYS 74 -13.756 -0.552 -2.704 465 HE3 LYS 74 2HE LYS 74 -11.428 -1.104 -3.663 466 HZ1 LYS 74 3HZ LYS 74 -13.145 -0.503 -5.182 467 HZ2 LYS 74 1HZ LYS 74 -11.745 0.186 -5.682 468 HZ3 LYS 74 2HZ LYS 74 -12.900 1.107 -4.958 469 H GLY 75 H GLY 75 -13.134 4.394 0.809 470 HA2 GLY 75 1HA GLY 75 -14.220 5.319 2.615 471 HA3 GLY 75 2HA GLY 75 -14.451 3.681 3.249 472 H LEU 76 H LEU 76 -11.227 4.896 2.643 473 HA LEU 76 HA LEU 76 -10.467 4.463 5.424 474 HB3 LEU 76 2HB LEU 76 -8.213 4.888 4.688 475 HG LEU 76 HG LEU 76 -9.577 3.431 2.373 476 HD11 LEU 76 1HD1 LEU 76 -7.285 4.200 1.862 477 HD12 LEU 76 2HD1 LEU 76 -7.366 2.431 2.002 478 HD13 LEU 76 3HD1 LEU 76 -6.687 3.402 3.327 479 HD21 LEU 76 3HD2 LEU 76 -8.991 1.371 3.585 480 HD22 LEU 76 1HD2 LEU 76 -10.081 2.355 4.553 481 HD23 LEU 76 2HD2 LEU 76 -8.344 2.334 4.925 482 H VAL 77 H VAL 77 -8.900 6.234 6.311 483 HA VAL 77 HA VAL 77 -10.277 8.865 6.242 484 HB VAL 77 HB VAL 77 -9.479 7.406 8.795 485 HG11 VAL 77 1HG1 VAL 77 -9.962 9.745 9.120 486 HG12 VAL 77 2HG1 VAL 77 -11.444 9.655 8.143 487 HG13 VAL 77 3HG1 VAL 77 -11.343 8.856 9.724 488 HG21 VAL 77 3HG2 VAL 77 -11.067 5.851 7.812 489 HG22 VAL 77 1HG2 VAL 77 -11.870 6.737 9.094 490 HG23 VAL 77 2HG2 VAL 77 -12.171 7.186 7.400 491 H GLY 78 H GLY 78 -8.810 10.491 7.738 492 HA2 GLY 78 1HA GLY 78 -6.801 11.275 8.457 493 HA3 GLY 78 2HA GLY 78 -6.029 9.746 8.029 494 H LYS 79 H LYS 79 -4.366 11.569 7.441 495 HA LYS 79 HA LYS 79 -4.655 12.230 4.561 496 HB3 LYS 79 2HB LYS 79 -2.865 13.963 6.152 497 HG3 LYS 79 2HG LYS 79 -5.301 14.735 4.536 498 HD3 LYS 79 2HD LYS 79 -3.455 16.259 5.995 499 HE3 LYS 79 2HE LYS 79 -1.754 15.670 4.131 500 HZ1 LYS 79 3HZ LYS 79 -2.036 17.070 2.169 501 HZ2 LYS 79 1HZ LYS 79 -3.519 17.546 2.620 502 HZ3 LYS 79 2HZ LYS 79 -3.270 15.989 2.235 503 H ASP 80 H ASP 80 -3.632 9.765 5.554 504 HA ASP 80 HA ASP 80 -1.128 9.633 4.218 505 HB3 ASP 80 2HB ASP 80 -1.154 8.885 7.136 506 H THR 81 H THR 81 -0.535 7.338 4.076 507 HA THR 81 HA THR 81 -2.732 5.439 4.762 508 HB THR 81 HB THR 81 -1.703 4.819 2.118 509 HG1 THR 81 1HG THR 81 -1.713 7.276 2.220 510 HG21 THR 81 3HG2 THR 81 -3.801 3.940 3.127 511 HG22 THR 81 1HG2 THR 81 -4.111 4.753 1.578 512 HG23 THR 81 2HG2 THR 81 -4.475 5.587 3.101 513 H ARG 82 H ARG 82 -2.126 3.183 4.715 514 HA ARG 82 HA ARG 82 0.749 2.612 4.597 515 HB3 ARG 82 2HB ARG 82 0.692 1.284 6.629 516 HG3 ARG 82 2HG ARG 82 -0.644 3.863 7.518 517 HD3 ARG 82 2HD ARG 82 1.925 2.919 8.640 518 HE ARG 82 HE ARG 82 -0.309 3.209 10.472 519 HH11 ARG 82 1HH1 ARG 82 1.886 5.255 8.515 520 HH12 ARG 82 2HH1 ARG 82 1.911 6.503 9.695 521 HH21 ARG 82 1HH2 ARG 82 -0.101 4.831 12.046 522 HH22 ARG 82 2HH2 ARG 82 0.789 6.274 11.697 523 H VAL 83 H VAL 83 1.060 0.216 4.511 524 HA VAL 83 HA VAL 83 -1.228 -1.371 3.553 525 HB VAL 83 HB VAL 83 1.317 -0.819 1.989 526 HG11 VAL 83 1HG1 VAL 83 0.155 -2.217 0.200 527 HG12 VAL 83 2HG1 VAL 83 0.656 -3.112 1.640 528 HG13 VAL 83 3HG1 VAL 83 -1.054 -2.647 1.424 529 HG21 VAL 83 3HG2 VAL 83 -1.527 -0.011 1.304 530 HG22 VAL 83 1HG2 VAL 83 -0.149 1.074 1.602 531 HG23 VAL 83 2HG2 VAL 83 -0.157 0.064 0.172 532 H PHE 84 H PHE 84 -1.059 -3.024 5.061 533 HA PHE 84 HA PHE 84 1.599 -3.923 6.061 534 HB3 PHE 84 2HB PHE 84 0.171 -5.243 7.658 535 HD1 PHE 84 1HD PHE 84 1.721 -2.310 7.367 536 HD2 PHE 84 2HD PHE 84 -1.567 -3.993 9.565 537 HE1 PHE 84 1HE PHE 84 1.980 -0.556 9.095 538 HE2 PHE 84 2HE PHE 84 -1.253 -2.304 11.327 539 HZ PHE 84 HZ PHE 84 0.498 -0.554 11.090 540 H ILE 85 H ILE 85 2.434 -5.351 4.694 541 HA ILE 85 HA ILE 85 0.761 -7.151 3.022 542 HB ILE 85 HB ILE 85 3.752 -6.784 3.222 543 HG13 ILE 85 2HG1 ILE 85 2.701 -4.648 2.449 544 HG21 ILE 85 1HG2 ILE 85 3.774 -7.977 1.050 545 HG22 ILE 85 2HG2 ILE 85 2.967 -8.933 2.286 546 HG23 ILE 85 3HG2 ILE 85 1.991 -8.021 1.117 547 HD11 ILE 85 3HD1 ILE 85 3.880 -4.250 0.465 548 HD12 ILE 85 1HD1 ILE 85 4.854 -5.471 1.272 549 HD13 ILE 85 2HD1 ILE 85 3.783 -5.942 -0.064 550 H GLU 86 H GLU 86 0.164 -9.061 3.955 551 HA GLU 86 HA GLU 86 2.015 -10.620 5.557 552 HB3 GLU 86 2HB GLU 86 1.301 -9.142 7.311 553 HG3 GLU 86 2HG GLU 86 -1.541 -9.818 6.479 554 H LEU 87 H LEU 87 0.548 -12.561 6.455 555 HA LEU 87 HA LEU 87 -0.961 -13.576 4.094 556 HB3 LEU 87 2HB LEU 87 -0.472 -15.769 4.893 557 HG LEU 87 HG LEU 87 2.085 -14.167 5.351 558 HD11 LEU 87 1HD1 LEU 87 3.260 -16.243 5.156 559 HD12 LEU 87 2HD1 LEU 87 1.807 -17.089 4.622 560 HD13 LEU 87 3HD1 LEU 87 1.969 -16.533 6.300 561 HD21 LEU 87 3HD2 LEU 87 1.253 -13.738 3.108 562 HD22 LEU 87 1HD2 LEU 87 0.877 -15.457 2.864 563 HD23 LEU 87 2HD2 LEU 87 2.553 -14.926 2.954 564 H ASP 88 H ASP 88 -2.882 -14.914 4.477 565 HA ASP 88 HA ASP 88 -4.140 -14.987 7.124 566 HB3 ASP 88 2HB ASP 88 -5.513 -13.658 4.768 567 H GLU 89 H GLU 89 -6.436 -16.181 6.521 568 HA GLU 89 HA GLU 89 -7.683 -17.812 5.694 569 HB3 GLU 89 2HB GLU 89 -7.486 -18.468 3.315 570 HG3 GLU 89 2HG GLU 89 -7.296 -15.483 3.880 571 H ASN 90 H ASN 90 -4.563 -18.771 4.263 572 HA ASN 90 HA ASN 90 -4.509 -21.213 5.964 573 HB3 ASN 90 2HB ASN 90 -4.263 -22.712 4.113 574 HD21 ASN 90 1HD2 ASN 90 -6.043 -20.511 2.171 575 HD22 ASN 90 2HD2 ASN 90 -7.673 -21.030 2.651 576 H ALA 91 H ALA 91 -2.947 -18.599 5.467 577 HA ALA 91 HA ALA 91 -0.856 -17.818 5.350 578 HB1 ALA 91 1HB ALA 91 1.166 -19.106 5.104 579 HB2 ALA 91 2HB ALA 91 0.147 -19.829 6.344 580 HB3 ALA 91 3HB ALA 91 0.272 -20.560 4.725 581 H ASP 92 H ASP 92 -2.821 -17.667 3.486 582 HA ASP 92 HA ASP 92 -1.643 -17.942 0.756 583 HB3 ASP 92 2HB ASP 92 -3.760 -16.721 0.149 584 H VAL 93 H VAL 93 -1.308 -15.866 -0.409 585 HA VAL 93 HA VAL 93 -0.432 -13.745 1.399 586 HB VAL 93 HB VAL 93 -0.289 -13.819 -1.651 587 HG11 VAL 93 1HG1 VAL 93 1.498 -12.165 -1.274 588 HG12 VAL 93 2HG1 VAL 93 -0.010 -11.586 -0.538 589 HG13 VAL 93 3HG1 VAL 93 1.232 -12.313 0.482 590 HG21 VAL 93 3HG2 VAL 93 2.176 -14.426 -1.133 591 HG22 VAL 93 1HG2 VAL 93 1.611 -14.885 0.480 592 HG23 VAL 93 2HG2 VAL 93 0.976 -15.729 -0.949 593 H GLN 94 H GLN 94 -1.806 -12.242 2.101 594 HA GLN 94 HA GLN 94 -3.960 -11.253 0.310 595 HB3 GLN 94 2HB GLN 94 -5.389 -10.859 2.243 596 HG3 GLN 94 2HG GLN 94 -6.150 -12.990 2.756 597 HE21 GLN 94 1HE2 GLN 94 -4.938 -15.284 1.206 598 HE22 GLN 94 2HE2 GLN 94 -5.567 -15.032 -0.402 599 H VAL 95 H VAL 95 -4.742 -9.059 1.728 600 HA VAL 95 HA VAL 95 -2.284 -7.422 2.088 601 HB VAL 95 HB VAL 95 -4.817 -6.715 0.529 602 HG11 VAL 95 1HG1 VAL 95 -3.504 -4.783 1.624 603 HG12 VAL 95 2HG1 VAL 95 -2.272 -5.119 0.371 604 HG13 VAL 95 3HG1 VAL 95 -3.882 -4.701 -0.105 605 HG21 VAL 95 3HG2 VAL 95 -3.641 -8.265 -0.869 606 HG22 VAL 95 1HG2 VAL 95 -3.131 -6.672 -1.464 607 HG23 VAL 95 2HG2 VAL 95 -2.070 -7.617 -0.406 608 H PHE 96 H PHE 96 -2.522 -5.986 3.865 609 HA PHE 96 HA PHE 96 -5.220 -5.666 5.064 610 HB3 PHE 96 2HB PHE 96 -2.686 -6.228 6.652 611 HD1 PHE 96 2HD PHE 96 -6.224 -7.483 6.736 612 HD2 PHE 96 1HD PHE 96 -3.262 -5.045 8.695 613 HE1 PHE 96 2HE PHE 96 -7.693 -7.290 8.703 614 HE2 PHE 96 1HE PHE 96 -4.748 -4.875 10.681 615 HZ PHE 96 HZ PHE 96 -6.960 -5.995 10.692 616 H ILE 97 H ILE 97 -5.097 -3.963 6.822 617 HA ILE 97 HA ILE 97 -3.041 -1.962 6.576 618 HB ILE 97 HB ILE 97 -4.976 -0.189 6.264 619 HG13 ILE 97 2HG1 ILE 97 -6.851 -1.810 6.225 620 HG21 ILE 97 1HG2 ILE 97 -4.347 0.142 4.062 621 HG22 ILE 97 2HG2 ILE 97 -2.987 -0.728 4.773 622 HG23 ILE 97 3HG2 ILE 97 -4.133 -1.601 3.733 623 HD11 ILE 97 3HD1 ILE 97 -6.988 0.393 4.959 624 HD12 ILE 97 1HD1 ILE 97 -6.528 -0.508 3.491 625 HD13 ILE 97 2HD1 ILE 97 -8.045 -0.895 4.329 626 HA PRO 98 HA PRO 98 -4.598 -1.082 10.660 627 HB3 PRO 98 2HB PRO 98 -2.519 -0.239 11.169 628 HG3 PRO 98 2HG PRO 98 -1.247 0.922 9.568 629 HD3 PRO 98 2HD PRO 98 -1.796 -0.971 8.300 630 H GLN 99 H GLN 99 -6.785 -0.552 10.704 631 HA GLN 99 HA GLN 99 -7.537 2.188 10.088 632 HB3 GLN 99 2HB GLN 99 -9.785 1.222 9.249 633 HG3 GLN 99 2HG GLN 99 -9.131 1.006 6.916 634 HE21 GLN 99 1HE2 GLN 99 -6.236 2.736 7.742 635 HE22 GLN 99 2HE2 GLN 99 -6.907 4.363 7.677 636 H GLY 100 H GLY 100 -9.737 2.573 11.251 637 HA2 GLY 100 1HA GLY 100 -11.341 1.185 12.637 638 HA3 GLY 100 2HA GLY 100 -9.965 0.895 13.709 639 H GLU 101 H GLU 101 -8.770 2.860 14.427 640 HA GLU 101 HA GLU 101 -10.339 5.340 14.725 641 HB3 GLU 101 2HB GLU 101 -10.528 5.327 17.004 642 HG3 GLU 101 2HG GLU 101 -11.990 3.456 16.171 643 H ILE 102 H ILE 102 -8.437 5.671 13.159 644 HA ILE 102 HA ILE 102 -6.126 6.637 14.740 645 HB ILE 102 HB ILE 102 -4.663 6.097 12.976 646 HG13 ILE 102 2HG1 ILE 102 -5.193 4.554 11.114 647 HG21 ILE 102 1HG2 ILE 102 -6.221 3.631 13.711 648 HG22 ILE 102 2HG2 ILE 102 -4.494 3.734 13.279 649 HG23 ILE 102 3HG2 ILE 102 -5.091 4.515 14.762 650 HD11 ILE 102 3HD1 ILE 102 -7.356 4.481 10.102 651 HD12 ILE 102 1HD1 ILE 102 -7.537 3.866 11.761 652 HD13 ILE 102 2HD1 ILE 102 -8.064 5.520 11.335 653 H ASP 103 H ASP 103 -8.672 7.907 13.868 654 HA ASP 103 HA ASP 103 -7.605 9.938 12.028 655 HB3 ASP 103 2HB ASP 103 -10.446 9.618 13.093
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