NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
276900 | 2kpo | 16562 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -0.147 16.737 5.964 2 H2 MET 1 2H MET 1 -0.761 17.614 4.656 3 H3 MET 1 3H MET 1 0.721 16.810 4.514 4 HA MET 1 HA MET 1 -1.897 15.491 4.939 5 HB2 MET 1 3HB MET 1 -0.222 15.811 2.438 6 HB3 MET 1 2HB MET 1 -1.818 16.483 2.730 7 HG2 MET 1 3HG MET 1 -2.627 14.076 2.927 8 HG3 MET 1 2HG MET 1 -1.069 13.618 2.245 9 HE1 MET 1 3HE MET 1 -4.473 15.419 1.671 10 HE2 MET 1 1HE MET 1 -4.260 16.149 0.081 11 HE3 MET 1 2HE MET 1 -3.347 16.759 1.461 12 H LEU 2 H LEU 2 -1.833 13.285 5.241 13 HA LEU 2 HA LEU 2 0.804 12.134 5.797 14 HB2 LEU 2 3HB LEU 2 -0.394 10.384 6.994 15 HB3 LEU 2 2HB LEU 2 -1.933 11.004 6.425 16 HG LEU 2 HG LEU 2 -0.148 12.753 8.096 17 HD11 LEU 2 1HD1 LEU 2 -2.277 13.731 8.794 18 HD12 LEU 2 2HD1 LEU 2 -3.141 12.585 7.768 19 HD13 LEU 2 3HD1 LEU 2 -2.072 13.787 7.043 20 HD21 LEU 2 3HD2 LEU 2 -0.303 10.647 9.327 21 HD22 LEU 2 1HD2 LEU 2 -2.062 10.684 9.182 22 HD23 LEU 2 2HD2 LEU 2 -1.226 11.921 10.125 23 H LEU 3 H LEU 3 1.636 10.394 4.701 24 HA LEU 3 HA LEU 3 0.026 9.252 2.505 25 HB2 LEU 3 3HB LEU 3 2.097 9.283 1.100 26 HB3 LEU 3 2HB LEU 3 2.897 10.203 2.362 27 HG LEU 3 HG LEU 3 1.186 12.015 2.038 28 HD11 LEU 3 1HD1 LEU 3 2.792 11.275 -0.412 29 HD12 LEU 3 2HD1 LEU 3 3.391 12.162 0.990 30 HD13 LEU 3 3HD1 LEU 3 2.147 12.874 -0.036 31 HD21 LEU 3 3HD2 LEU 3 0.399 10.359 -0.358 32 HD22 LEU 3 1HD2 LEU 3 -0.154 11.996 -0.005 33 HD23 LEU 3 2HD2 LEU 3 -0.593 10.668 1.067 34 H TYR 4 H TYR 4 -0.187 7.141 2.837 35 HA TYR 4 HA TYR 4 2.023 5.640 4.110 36 HB2 TYR 4 3HB TYR 4 0.176 4.058 4.879 37 HB3 TYR 4 2HB TYR 4 -0.971 5.293 4.373 38 HD1 TYR 4 HD1 TYR 4 -0.833 7.593 5.487 39 HD2 TYR 4 HD2 TYR 4 1.203 4.170 6.995 40 HE1 TYR 4 HE1 TYR 4 -0.625 8.686 7.679 41 HE2 TYR 4 HE2 TYR 4 1.414 5.256 9.189 42 HH TYR 4 HH TYR 4 1.464 7.651 10.053 43 H VAL 5 H VAL 5 2.473 3.539 3.363 44 HA VAL 5 HA VAL 5 1.205 2.762 0.803 45 HB VAL 5 HB VAL 5 4.136 2.443 1.515 46 HG11 VAL 5 1HG1 VAL 5 4.413 1.635 -0.783 47 HG12 VAL 5 2HG1 VAL 5 2.672 1.756 -1.041 48 HG13 VAL 5 3HG1 VAL 5 3.310 0.604 0.131 49 HG21 VAL 5 3HG2 VAL 5 3.607 4.769 1.012 50 HG22 VAL 5 1HG2 VAL 5 2.811 4.284 -0.487 51 HG23 VAL 5 2HG2 VAL 5 4.551 4.059 -0.298 52 H LEU 6 H LEU 6 0.318 0.782 0.843 53 HA LEU 6 HA LEU 6 1.156 -1.152 2.911 54 HB2 LEU 6 3HB LEU 6 -1.033 -2.218 2.559 55 HB3 LEU 6 2HB LEU 6 -1.408 -1.054 1.303 56 HG LEU 6 HG LEU 6 -1.482 0.750 2.935 57 HD11 LEU 6 1HD1 LEU 6 -3.109 -1.645 3.795 58 HD12 LEU 6 2HD1 LEU 6 -3.537 -0.483 2.539 59 HD13 LEU 6 3HD1 LEU 6 -3.447 0.032 4.223 60 HD21 LEU 6 3HD2 LEU 6 -1.279 0.299 5.342 61 HD22 LEU 6 1HD2 LEU 6 0.229 -0.017 4.485 62 HD23 LEU 6 2HD2 LEU 6 -0.799 -1.361 4.988 63 H ILE 7 H ILE 7 2.362 -2.834 2.216 64 HA ILE 7 HA ILE 7 2.226 -3.553 -0.648 65 HB ILE 7 HB ILE 7 4.430 -2.759 0.037 66 HG12 ILE 7 3HG1 ILE 7 4.242 -4.504 -1.712 67 HG13 ILE 7 2HG1 ILE 7 4.409 -5.750 -0.478 68 HG21 ILE 7 1HG2 ILE 7 4.346 -3.356 2.407 69 HG22 ILE 7 2HG2 ILE 7 5.801 -3.997 1.646 70 HG23 ILE 7 3HG2 ILE 7 4.444 -5.069 1.989 71 HD11 ILE 7 3HD1 ILE 7 6.484 -3.709 -1.225 72 HD12 ILE 7 1HD1 ILE 7 6.490 -5.422 -1.647 73 HD13 ILE 7 2HD1 ILE 7 6.653 -4.929 0.039 74 H ILE 8 H ILE 8 1.633 -5.542 -1.255 75 HA ILE 8 HA ILE 8 1.452 -7.694 0.767 76 HB ILE 8 HB ILE 8 -0.380 -7.342 -1.625 77 HG12 ILE 8 3HG1 ILE 8 -0.779 -5.554 0.021 78 HG13 ILE 8 2HG1 ILE 8 -0.927 -6.756 1.296 79 HG21 ILE 8 1HG2 ILE 8 -1.725 -9.095 -0.537 80 HG22 ILE 8 2HG2 ILE 8 -0.504 -9.234 0.727 81 HG23 ILE 8 3HG2 ILE 8 -0.103 -9.660 -0.937 82 HD11 ILE 8 3HD1 ILE 8 -2.926 -7.654 0.264 83 HD12 ILE 8 1HD1 ILE 8 -2.776 -6.492 -1.052 84 HD13 ILE 8 2HD1 ILE 8 -3.094 -5.928 0.585 85 H SER 9 H SER 9 3.196 -8.985 0.292 86 HA SER 9 HA SER 9 3.248 -10.349 -2.256 87 HB2 SER 9 3HB SER 9 5.569 -8.537 -1.532 88 HB3 SER 9 2HB SER 9 4.485 -8.351 -2.910 89 HG SER 9 HG SER 9 6.437 -9.363 -3.521 90 H ASN 10 H ASN 10 4.766 -12.100 -2.346 91 HA ASN 10 HA ASN 10 5.471 -13.143 0.306 92 HB2 ASN 10 3HB ASN 10 5.434 -14.553 -2.379 93 HB3 ASN 10 2HB ASN 10 4.102 -14.547 -1.231 94 HD21 ASN 10 2HD2 ASN 10 6.326 -16.419 1.135 95 HD22 ASN 10 1HD2 ASN 10 5.690 -14.814 1.134 96 H ASP 11 H ASP 11 6.915 -11.710 -2.450 97 HA ASP 11 HA ASP 11 9.509 -12.966 -2.113 98 HB2 ASP 11 3HB ASP 11 8.831 -10.585 -3.857 99 HB3 ASP 11 2HB ASP 11 8.564 -12.252 -4.354 100 H LYS 12 H LYS 12 10.817 -12.363 -0.519 101 HA LYS 12 HA LYS 12 10.390 -10.102 1.105 102 HB2 LYS 12 3HB LYS 12 12.532 -10.729 2.183 103 HB3 LYS 12 2HB LYS 12 12.827 -11.878 0.884 104 HG2 LYS 12 3HG LYS 12 11.970 -13.019 2.840 105 HG3 LYS 12 2HG LYS 12 10.800 -13.113 1.523 106 HD2 LYS 12 3HD LYS 12 9.603 -11.157 2.550 107 HD3 LYS 12 2HD LYS 12 10.698 -11.284 3.928 108 HE2 LYS 12 3HE LYS 12 8.785 -13.415 2.971 109 HE3 LYS 12 2HE LYS 12 8.587 -12.402 4.401 110 HZ1 LYS 12 3HZ LYS 12 10.617 -13.389 5.308 111 HZ2 LYS 12 1HZ LYS 12 10.731 -14.403 3.958 112 HZ3 LYS 12 2HZ LYS 12 9.423 -14.554 5.015 113 H LYS 13 H LYS 13 12.558 -10.578 -1.646 114 HA LYS 13 HA LYS 13 14.028 -8.164 -1.249 115 HB2 LYS 13 3HB LYS 13 14.429 -8.546 -3.857 116 HB3 LYS 13 2HB LYS 13 13.770 -10.133 -3.475 117 HG2 LYS 13 3HG LYS 13 16.202 -10.148 -3.363 118 HG3 LYS 13 2HG LYS 13 15.500 -10.442 -1.767 119 HD2 LYS 13 3HD LYS 13 15.826 -8.053 -1.209 120 HD3 LYS 13 2HD LYS 13 16.583 -7.806 -2.782 121 HE2 LYS 13 3HE LYS 13 18.390 -9.292 -2.201 122 HE3 LYS 13 2HE LYS 13 17.609 -9.701 -0.673 123 HZ1 LYS 13 3HZ LYS 13 18.544 -6.988 -1.434 124 HZ2 LYS 13 1HZ LYS 13 19.367 -8.047 -0.406 125 HZ3 LYS 13 2HZ LYS 13 17.863 -7.429 0.051 126 H LEU 14 H LEU 14 11.186 -8.958 -3.233 127 HA LEU 14 HA LEU 14 10.807 -6.496 -4.480 128 HB2 LEU 14 3HB LEU 14 8.588 -8.223 -3.353 129 HB3 LEU 14 2HB LEU 14 9.489 -8.651 -4.791 130 HG LEU 14 HG LEU 14 8.672 -6.414 -5.774 131 HD11 LEU 14 1HD1 LEU 14 6.669 -8.598 -5.186 132 HD12 LEU 14 2HD1 LEU 14 7.846 -8.598 -6.499 133 HD13 LEU 14 3HD1 LEU 14 6.551 -7.404 -6.478 134 HD21 LEU 14 3HD2 LEU 14 6.537 -5.590 -4.853 135 HD22 LEU 14 1HD2 LEU 14 7.878 -5.362 -3.731 136 HD23 LEU 14 2HD2 LEU 14 6.728 -6.672 -3.473 137 H ILE 15 H ILE 15 9.921 -7.557 -1.227 138 HA ILE 15 HA ILE 15 8.630 -5.200 -0.370 139 HB ILE 15 HB ILE 15 10.174 -7.212 1.285 140 HG12 ILE 15 3HG1 ILE 15 8.359 -8.209 -0.090 141 HG13 ILE 15 2HG1 ILE 15 7.211 -7.090 0.634 142 HG21 ILE 15 1HG2 ILE 15 8.061 -5.223 2.136 143 HG22 ILE 15 2HG2 ILE 15 9.785 -5.121 2.499 144 HG23 ILE 15 3HG2 ILE 15 8.817 -6.434 3.171 145 HD11 ILE 15 3HD1 ILE 15 8.756 -9.214 2.096 146 HD12 ILE 15 1HD1 ILE 15 7.054 -9.285 1.643 147 HD13 ILE 15 2HD1 ILE 15 7.605 -8.093 2.820 148 H GLU 16 H GLU 16 12.052 -6.155 -0.340 149 HA GLU 16 HA GLU 16 13.003 -3.938 1.150 150 HB2 GLU 16 3HB GLU 16 15.232 -4.501 0.095 151 HB3 GLU 16 2HB GLU 16 14.403 -5.753 -0.821 152 HG2 GLU 16 3HG GLU 16 13.775 -6.878 1.239 153 HG3 GLU 16 2HG GLU 16 14.524 -5.594 2.190 154 H GLU 17 H GLU 17 13.009 -4.505 -2.392 155 HA GLU 17 HA GLU 17 14.017 -1.994 -3.123 156 HB2 GLU 17 3HB GLU 17 12.646 -2.502 -5.315 157 HB3 GLU 17 2HB GLU 17 12.386 -4.065 -4.550 158 HG2 GLU 17 3HG GLU 17 15.045 -2.819 -5.239 159 HG3 GLU 17 2HG GLU 17 14.265 -4.157 -6.074 160 H ALA 18 H ALA 18 10.678 -3.014 -2.526 161 HA ALA 18 HA ALA 18 9.413 -0.580 -3.198 162 HB1 ALA 18 3HB ALA 18 8.174 -2.660 -2.835 163 HB2 ALA 18 1HB ALA 18 7.555 -1.362 -1.811 164 HB3 ALA 18 2HB ALA 18 8.588 -2.617 -1.121 165 H ARG 19 H ARG 19 10.678 -1.768 -0.075 166 HA ARG 19 HA ARG 19 10.102 0.521 1.442 167 HB2 ARG 19 3HB ARG 19 12.081 -0.272 2.880 168 HB3 ARG 19 2HB ARG 19 12.222 -1.603 1.739 169 HG2 ARG 19 3HG ARG 19 9.990 -2.363 2.283 170 HG3 ARG 19 2HG ARG 19 9.742 -0.969 3.339 171 HD2 ARG 19 3HD ARG 19 11.716 -3.221 3.728 172 HD3 ARG 19 2HD ARG 19 10.282 -2.885 4.698 173 HE ARG 19 HE ARG 19 12.694 -1.187 4.619 174 HH11 ARG 19 1HH1 ARG 19 9.907 -2.363 6.278 175 HH12 ARG 19 2HH1 ARG 19 10.306 -1.545 7.745 176 HH21 ARG 19 2HH2 ARG 19 12.154 -0.329 7.881 177 HH22 ARG 19 1HH2 ARG 19 13.198 -0.167 6.514 178 H LYS 20 H LYS 20 13.012 -0.274 -0.458 179 HA LYS 20 HA LYS 20 14.695 1.776 0.269 180 HB2 LYS 20 3HB LYS 20 15.597 1.628 -2.105 181 HB3 LYS 20 2HB LYS 20 14.293 0.495 -2.438 182 HG2 LYS 20 3HG LYS 20 15.159 -1.001 -0.681 183 HG3 LYS 20 2HG LYS 20 16.485 0.127 -0.392 184 HD2 LYS 20 3HD LYS 20 17.159 -0.162 -2.788 185 HD3 LYS 20 2HD LYS 20 15.934 -1.426 -2.926 186 HE2 LYS 20 3HE LYS 20 18.277 -1.455 -1.018 187 HE3 LYS 20 2HE LYS 20 18.172 -2.358 -2.527 188 HZ1 LYS 20 3HZ LYS 20 16.399 -2.703 -0.173 189 HZ2 LYS 20 1HZ LYS 20 17.632 -3.757 -0.661 190 HZ3 LYS 20 2HZ LYS 20 16.263 -3.548 -1.635 191 H MET 21 H MET 21 12.157 1.918 -2.223 192 HA MET 21 HA MET 21 12.587 4.635 -2.916 193 HB2 MET 21 3HB MET 21 10.198 4.467 -3.807 194 HB3 MET 21 2HB MET 21 10.210 2.804 -3.233 195 HG2 MET 21 3HG MET 21 10.732 2.927 -5.601 196 HG3 MET 21 2HG MET 21 12.096 2.299 -4.680 197 HE1 MET 21 3HE MET 21 11.898 6.668 -6.152 198 HE2 MET 21 1HE MET 21 11.010 6.060 -4.755 199 HE3 MET 21 2HE MET 21 10.582 5.516 -6.379 200 H ALA 22 H ALA 22 10.276 3.104 -0.670 201 HA ALA 22 HA ALA 22 8.935 5.427 0.132 202 HB1 ALA 22 3HB ALA 22 8.136 3.163 0.638 203 HB2 ALA 22 1HB ALA 22 8.232 4.153 2.096 204 HB3 ALA 22 2HB ALA 22 9.472 2.942 1.768 205 H GLU 23 H GLU 23 11.845 3.899 1.485 206 HA GLU 23 HA GLU 23 12.197 5.643 3.666 207 HB2 GLU 23 3HB GLU 23 14.477 4.750 3.782 208 HB3 GLU 23 2HB GLU 23 14.312 4.081 2.164 209 HG2 GLU 23 3HG GLU 23 14.071 2.353 3.849 210 HG3 GLU 23 2HG GLU 23 12.575 2.562 2.946 211 H LYS 24 H LYS 24 13.552 5.723 0.361 212 HA LYS 24 HA LYS 24 15.067 8.076 0.630 213 HB2 LYS 24 3HB LYS 24 14.258 8.248 -1.964 214 HB3 LYS 24 2HB LYS 24 13.896 6.561 -1.638 215 HG2 LYS 24 3HG LYS 24 16.582 7.897 -1.332 216 HG3 LYS 24 2HG LYS 24 16.095 6.809 -2.631 217 HD2 LYS 24 3HD LYS 24 15.847 4.977 -1.045 218 HD3 LYS 24 2HD LYS 24 16.262 6.052 0.290 219 HE2 LYS 24 3HE LYS 24 18.481 6.423 -0.726 220 HE3 LYS 24 2HE LYS 24 18.064 5.290 -2.012 221 HZ1 LYS 24 3HZ LYS 24 18.205 4.612 0.874 222 HZ2 LYS 24 1HZ LYS 24 19.396 4.254 -0.274 223 HZ3 LYS 24 2HZ LYS 24 17.871 3.536 -0.388 224 H ALA 25 H ALA 25 11.654 7.631 -0.208 225 HA ALA 25 HA ALA 25 11.171 10.467 -0.490 226 HB1 ALA 25 3HB ALA 25 9.220 8.166 -0.405 227 HB2 ALA 25 1HB ALA 25 9.978 8.819 -1.859 228 HB3 ALA 25 2HB ALA 25 8.867 9.817 -0.919 229 H ASN 26 H ASN 26 11.348 8.340 2.134 230 HA ASN 26 HA ASN 26 10.941 8.534 4.360 231 HB2 ASN 26 3HB ASN 26 10.295 10.809 5.273 232 HB3 ASN 26 2HB ASN 26 10.310 11.398 3.615 233 HD21 ASN 26 2HD2 ASN 26 13.976 10.448 3.598 234 HD22 ASN 26 1HD2 ASN 26 12.600 9.720 2.860 235 H LEU 27 H LEU 27 8.915 7.575 2.567 236 HA LEU 27 HA LEU 27 6.367 8.460 3.668 237 HB2 LEU 27 3HB LEU 27 5.381 6.822 2.101 238 HB3 LEU 27 2HB LEU 27 6.992 6.293 1.652 239 HG LEU 27 HG LEU 27 7.472 8.480 0.674 240 HD11 LEU 27 1HD1 LEU 27 6.455 6.777 -0.746 241 HD12 LEU 27 2HD1 LEU 27 5.927 8.390 -1.215 242 HD13 LEU 27 3HD1 LEU 27 4.847 7.344 -0.293 243 HD21 LEU 27 3HD2 LEU 27 4.656 9.212 1.484 244 HD22 LEU 27 1HD2 LEU 27 5.730 10.192 0.485 245 HD23 LEU 27 2HD2 LEU 27 6.140 9.876 2.170 246 H GLU 28 H GLU 28 4.897 7.069 4.752 247 HA GLU 28 HA GLU 28 6.209 5.154 6.510 248 HB2 GLU 28 3HB GLU 28 4.054 5.199 7.740 249 HB3 GLU 28 2HB GLU 28 3.384 6.249 6.495 250 HG2 GLU 28 3HG GLU 28 5.215 7.886 7.030 251 HG3 GLU 28 2HG GLU 28 5.632 6.868 8.406 252 H LEU 29 H LEU 29 6.500 3.193 5.585 253 HA LEU 29 HA LEU 29 4.337 2.013 3.978 254 HB2 LEU 29 3HB LEU 29 7.249 1.216 4.199 255 HB3 LEU 29 2HB LEU 29 6.583 2.259 2.964 256 HG LEU 29 HG LEU 29 5.070 0.186 2.396 257 HD11 LEU 29 1HD1 LEU 29 6.724 1.143 0.882 258 HD12 LEU 29 2HD1 LEU 29 6.785 -0.617 0.830 259 HD13 LEU 29 3HD1 LEU 29 8.017 0.280 1.718 260 HD21 LEU 29 3HD2 LEU 29 7.408 -1.141 3.788 261 HD22 LEU 29 1HD2 LEU 29 6.201 -1.957 2.794 262 HD23 LEU 29 2HD2 LEU 29 5.722 -1.191 4.307 263 H ARG 30 H ARG 30 3.277 0.203 4.589 264 HA ARG 30 HA ARG 30 4.164 -1.228 7.024 265 HB2 ARG 30 3HB ARG 30 1.768 -1.738 7.422 266 HB3 ARG 30 2HB ARG 30 1.344 -0.772 6.020 267 HG2 ARG 30 3HG ARG 30 0.903 0.560 7.910 268 HG3 ARG 30 2HG ARG 30 2.372 1.203 7.180 269 HD2 ARG 30 3HD ARG 30 2.427 -0.755 9.465 270 HD3 ARG 30 2HD ARG 30 2.353 0.989 9.711 271 HE ARG 30 HE ARG 30 4.495 0.609 8.054 272 HH11 ARG 30 1HH1 ARG 30 3.584 -0.642 11.132 273 HH12 ARG 30 2HH1 ARG 30 5.207 -0.648 11.732 274 HH21 ARG 30 2HH2 ARG 30 6.886 0.010 10.419 275 HH22 ARG 30 1HH2 ARG 30 6.577 0.575 8.813 276 H THR 31 H THR 31 4.192 -3.476 6.960 277 HA THR 31 HA THR 31 3.917 -4.689 4.310 278 HB THR 31 HB THR 31 4.983 -6.683 5.303 279 HG1 THR 31 HG1 THR 31 5.789 -5.527 7.636 280 HG21 THR 31 3HG2 THR 31 6.448 -4.101 5.891 281 HG22 THR 31 1HG2 THR 31 6.415 -4.950 4.344 282 HG23 THR 31 2HG2 THR 31 7.195 -5.691 5.742 283 H VAL 32 H VAL 32 1.983 -5.478 3.765 284 HA VAL 32 HA VAL 32 0.094 -6.359 5.787 285 HB VAL 32 HB VAL 32 -0.158 -6.334 2.775 286 HG11 VAL 32 1HG1 VAL 32 -1.658 -7.976 3.767 287 HG12 VAL 32 2HG1 VAL 32 -2.579 -6.590 3.183 288 HG13 VAL 32 3HG1 VAL 32 -2.256 -6.771 4.907 289 HG21 VAL 32 3HG2 VAL 32 -1.237 -4.396 4.827 290 HG22 VAL 32 1HG2 VAL 32 -1.523 -4.330 3.088 291 HG23 VAL 32 2HG2 VAL 32 0.104 -4.088 3.722 292 H LYS 33 H LYS 33 -0.252 -8.397 6.374 293 HA LYS 33 HA LYS 33 1.239 -10.525 4.972 294 HB2 LYS 33 3HB LYS 33 1.588 -11.561 7.092 295 HB3 LYS 33 2HB LYS 33 0.385 -10.535 7.872 296 HG2 LYS 33 3HG LYS 33 1.874 -8.572 7.360 297 HG3 LYS 33 2HG LYS 33 3.107 -9.726 6.848 298 HD2 LYS 33 3HD LYS 33 3.219 -10.680 9.051 299 HD3 LYS 33 2HD LYS 33 1.829 -9.731 9.585 300 HE2 LYS 33 3HE LYS 33 4.533 -8.646 8.774 301 HE3 LYS 33 2HE LYS 33 3.896 -8.750 10.416 302 HZ1 LYS 33 3HZ LYS 33 2.044 -7.277 9.621 303 HZ2 LYS 33 1HZ LYS 33 2.943 -7.006 8.214 304 HZ3 LYS 33 2HZ LYS 33 3.564 -6.545 9.720 305 H THR 34 H THR 34 -1.846 -9.637 6.393 306 HA THR 34 HA THR 34 -3.139 -11.923 5.080 307 HB THR 34 HB THR 34 -4.542 -12.413 7.024 308 HG1 THR 34 HG1 THR 34 -3.647 -11.351 9.090 309 HG21 THR 34 3HG2 THR 34 -1.610 -12.437 7.784 310 HG22 THR 34 1HG2 THR 34 -2.442 -13.675 6.842 311 HG23 THR 34 2HG2 THR 34 -2.877 -13.411 8.530 312 H GLU 35 H GLU 35 -5.575 -11.659 5.113 313 HA GLU 35 HA GLU 35 -6.507 -9.178 4.234 314 HB2 GLU 35 3HB GLU 35 -8.091 -11.377 5.594 315 HB3 GLU 35 2HB GLU 35 -7.646 -11.358 3.899 316 HG2 GLU 35 3HG GLU 35 -9.348 -9.223 5.130 317 HG3 GLU 35 2HG GLU 35 -10.006 -10.700 4.429 318 H ASP 36 H ASP 36 -6.388 -10.575 7.489 319 HA ASP 36 HA ASP 36 -7.774 -8.537 8.855 320 HB2 ASP 36 3HB ASP 36 -5.579 -10.384 9.825 321 HB3 ASP 36 2HB ASP 36 -7.314 -10.663 9.936 322 H GLU 37 H GLU 37 -4.301 -8.914 8.136 323 HA GLU 37 HA GLU 37 -3.355 -6.605 9.412 324 HB2 GLU 37 3HB GLU 37 -1.505 -6.709 7.669 325 HB3 GLU 37 2HB GLU 37 -2.380 -8.051 6.947 326 HG2 GLU 37 3HG GLU 37 -0.735 -9.039 8.287 327 HG3 GLU 37 2HG GLU 37 -2.229 -9.190 9.211 328 H LEU 38 H LEU 38 -4.336 -6.995 5.990 329 HA LEU 38 HA LEU 38 -4.048 -4.369 5.127 330 HB2 LEU 38 3HB LEU 38 -6.356 -6.134 4.293 331 HB3 LEU 38 2HB LEU 38 -4.710 -6.507 3.828 332 HG LEU 38 HG LEU 38 -5.769 -5.428 1.978 333 HD11 LEU 38 1HD1 LEU 38 -6.760 -3.216 2.071 334 HD12 LEU 38 2HD1 LEU 38 -6.448 -3.126 3.804 335 HD13 LEU 38 3HD1 LEU 38 -7.589 -4.314 3.174 336 HD21 LEU 38 3HD2 LEU 38 -4.330 -3.493 1.629 337 HD22 LEU 38 1HD2 LEU 38 -3.438 -4.826 2.364 338 HD23 LEU 38 2HD2 LEU 38 -3.948 -3.455 3.350 339 H LYS 39 H LYS 39 -6.992 -5.906 6.429 340 HA LYS 39 HA LYS 39 -8.606 -3.654 6.700 341 HB2 LYS 39 3HB LYS 39 -8.430 -6.177 8.358 342 HB3 LYS 39 2HB LYS 39 -9.514 -5.862 7.011 343 HG2 LYS 39 3HG LYS 39 -10.748 -4.247 8.307 344 HG3 LYS 39 2HG LYS 39 -9.597 -4.380 9.638 345 HD2 LYS 39 3HD LYS 39 -11.428 -6.565 8.629 346 HD3 LYS 39 2HD LYS 39 -11.602 -5.663 10.135 347 HE2 LYS 39 3HE LYS 39 -9.289 -7.481 9.437 348 HE3 LYS 39 2HE LYS 39 -10.626 -7.889 10.508 349 HZ1 LYS 39 3HZ LYS 39 -8.562 -7.161 11.655 350 HZ2 LYS 39 1HZ LYS 39 -9.932 -6.253 12.060 351 HZ3 LYS 39 2HZ LYS 39 -8.785 -5.616 11.000 352 H LYS 40 H LYS 40 -6.185 -4.953 8.932 353 HA LYS 40 HA LYS 40 -6.832 -3.470 11.215 354 HB2 LYS 40 3HB LYS 40 -4.083 -4.455 10.416 355 HB3 LYS 40 2HB LYS 40 -5.331 -5.478 11.112 356 HG2 LYS 40 3HG LYS 40 -5.301 -4.169 13.165 357 HG3 LYS 40 2HG LYS 40 -4.095 -3.083 12.469 358 HD2 LYS 40 3HD LYS 40 -3.132 -4.798 14.003 359 HD3 LYS 40 2HD LYS 40 -2.466 -4.850 12.369 360 HE2 LYS 40 3HE LYS 40 -2.906 -7.098 13.187 361 HE3 LYS 40 2HE LYS 40 -3.946 -6.721 11.817 362 HZ1 LYS 40 3HZ LYS 40 -5.277 -7.790 13.417 363 HZ2 LYS 40 1HZ LYS 40 -5.702 -6.156 13.490 364 HZ3 LYS 40 2HZ LYS 40 -4.701 -6.825 14.680 365 H TYR 41 H TYR 41 -4.437 -2.804 8.673 366 HA TYR 41 HA TYR 41 -3.511 -0.366 9.766 367 HB2 TYR 41 3HB TYR 41 -2.501 0.032 7.576 368 HB3 TYR 41 2HB TYR 41 -3.500 -1.231 6.862 369 HD1 TYR 41 HD1 TYR 41 -1.707 -1.326 10.124 370 HD2 TYR 41 HD2 TYR 41 -1.884 -2.794 6.126 371 HE1 TYR 41 HE1 TYR 41 0.016 -2.991 10.662 372 HE2 TYR 41 HE2 TYR 41 -0.162 -4.464 6.666 373 HH TYR 41 HH TYR 41 0.635 -5.383 9.649 374 H LEU 42 H LEU 42 -6.073 -1.083 7.401 375 HA LEU 42 HA LEU 42 -6.791 1.566 6.802 376 HB2 LEU 42 3HB LEU 42 -9.024 0.599 6.211 377 HB3 LEU 42 2HB LEU 42 -8.484 -0.934 6.871 378 HG LEU 42 HG LEU 42 -6.758 -1.105 5.156 379 HD11 LEU 42 1HD1 LEU 42 -8.956 -2.000 4.648 380 HD12 LEU 42 2HD1 LEU 42 -8.197 -1.358 3.192 381 HD13 LEU 42 3HD1 LEU 42 -9.465 -0.437 4.005 382 HD21 LEU 42 3HD2 LEU 42 -6.600 0.530 3.340 383 HD22 LEU 42 1HD2 LEU 42 -6.236 1.269 4.900 384 HD23 LEU 42 2HD2 LEU 42 -7.804 1.543 4.140 385 H GLU 43 H GLU 43 -8.072 -0.618 9.323 386 HA GLU 43 HA GLU 43 -9.910 1.101 10.515 387 HB2 GLU 43 3HB GLU 43 -9.578 -0.227 12.577 388 HB3 GLU 43 2HB GLU 43 -8.129 -0.939 11.879 389 HG2 GLU 43 3HG GLU 43 -9.520 -1.923 10.083 390 HG3 GLU 43 2HG GLU 43 -10.954 -1.271 10.873 391 H GLU 44 H GLU 44 -6.415 0.877 10.960 392 HA GLU 44 HA GLU 44 -6.226 2.864 12.999 393 HB2 GLU 44 3HB GLU 44 -4.109 1.959 11.026 394 HB3 GLU 44 2HB GLU 44 -4.483 1.139 12.536 395 HG2 GLU 44 3HG GLU 44 -3.794 3.098 13.801 396 HG3 GLU 44 2HG GLU 44 -3.469 3.969 12.303 397 H PHE 45 H PHE 45 -5.956 2.950 9.458 398 HA PHE 45 HA PHE 45 -5.192 5.654 9.201 399 HB2 PHE 45 3HB PHE 45 -5.989 5.447 6.853 400 HB3 PHE 45 2HB PHE 45 -6.700 3.889 7.257 401 HD1 PHE 45 HD1 PHE 45 -5.395 2.776 5.525 402 HD2 PHE 45 HD2 PHE 45 -3.490 4.854 8.724 403 HE1 PHE 45 HE1 PHE 45 -3.273 1.656 4.992 404 HE2 PHE 45 HE2 PHE 45 -1.368 3.738 8.186 405 HZ PHE 45 HZ PHE 45 -1.255 2.136 6.320 406 H ARG 46 H ARG 46 -8.263 4.209 9.881 407 HA ARG 46 HA ARG 46 -9.990 6.287 9.139 408 HB2 ARG 46 3HB ARG 46 -11.392 5.359 11.140 409 HB3 ARG 46 2HB ARG 46 -10.130 4.139 11.236 410 HG2 ARG 46 3HG ARG 46 -11.561 3.047 9.851 411 HG3 ARG 46 2HG ARG 46 -10.642 3.933 8.636 412 HD2 ARG 46 3HD ARG 46 -13.413 4.442 9.660 413 HD3 ARG 46 2HD ARG 46 -12.847 4.311 7.997 414 HE ARG 46 HE ARG 46 -11.872 6.604 9.481 415 HH11 ARG 46 1HH1 ARG 46 -14.169 5.395 7.218 416 HH12 ARG 46 2HH1 ARG 46 -14.666 6.977 6.729 417 HH21 ARG 46 2HH2 ARG 46 -13.734 8.775 7.613 418 HH22 ARG 46 1HH2 ARG 46 -12.504 8.618 8.823 419 H LYS 47 H LYS 47 -7.634 6.196 11.642 420 HA LYS 47 HA LYS 47 -8.665 8.188 13.371 421 HB2 LYS 47 3HB LYS 47 -6.238 8.549 13.970 422 HB3 LYS 47 2HB LYS 47 -5.816 7.402 12.709 423 HG2 LYS 47 3HG LYS 47 -7.175 5.684 13.904 424 HG3 LYS 47 2HG LYS 47 -7.399 6.849 15.212 425 HD2 LYS 47 3HD LYS 47 -4.776 5.707 14.236 426 HD3 LYS 47 2HD LYS 47 -5.579 5.354 15.766 427 HE2 LYS 47 3HE LYS 47 -4.475 8.040 14.927 428 HE3 LYS 47 2HE LYS 47 -3.733 6.928 16.075 429 HZ1 LYS 47 3HZ LYS 47 -4.895 8.623 17.264 430 HZ2 LYS 47 1HZ LYS 47 -5.723 7.165 17.475 431 HZ3 LYS 47 2HZ LYS 47 -6.324 8.333 16.410 432 H GLU 48 H GLU 48 -5.970 8.634 11.073 433 HA GLU 48 HA GLU 48 -6.566 11.484 10.909 434 HB2 GLU 48 3HB GLU 48 -4.399 11.439 9.500 435 HB3 GLU 48 2HB GLU 48 -4.242 9.778 10.054 436 HG2 GLU 48 3HG GLU 48 -4.333 12.248 11.783 437 HG3 GLU 48 2HG GLU 48 -2.919 11.264 11.424 438 H SER 49 H SER 49 -8.402 9.651 9.603 439 HA SER 49 HA SER 49 -8.038 9.451 6.838 440 HB2 SER 49 3HB SER 49 -9.834 8.270 8.059 441 HB3 SER 49 2HB SER 49 -10.465 9.158 6.673 442 HG SER 49 HG SER 49 -11.610 10.342 7.967 443 H GLN 50 H GLN 50 -8.501 12.232 8.705 444 HA GLN 50 HA GLN 50 -9.943 13.943 7.036 445 HB2 GLN 50 3HB GLN 50 -8.854 15.769 8.272 446 HB3 GLN 50 2HB GLN 50 -7.654 14.644 8.891 447 HG2 GLN 50 3HG GLN 50 -9.269 15.079 10.602 448 HG3 GLN 50 2HG GLN 50 -9.451 13.413 10.059 449 HE21 GLN 50 2HE2 GLN 50 -12.695 13.825 8.844 450 HE22 GLN 50 1HE2 GLN 50 -11.291 12.827 8.908 451 H ASN 51 H ASN 51 -6.426 13.284 7.090 452 HA ASN 51 HA ASN 51 -6.163 14.706 4.505 453 HB2 ASN 51 3HB ASN 51 -4.114 15.776 5.225 454 HB3 ASN 51 2HB ASN 51 -4.154 14.921 6.761 455 HD21 ASN 51 2HD2 ASN 51 -6.252 17.177 8.332 456 HD22 ASN 51 1HD2 ASN 51 -5.437 15.664 8.394 457 H ILE 52 H ILE 52 -6.280 11.817 4.934 458 HA ILE 52 HA ILE 52 -3.457 11.033 4.577 459 HB ILE 52 HB ILE 52 -4.710 9.989 6.478 460 HG12 ILE 52 3HG1 ILE 52 -2.715 8.922 5.468 461 HG13 ILE 52 2HG1 ILE 52 -3.752 8.065 4.333 462 HG21 ILE 52 1HG2 ILE 52 -6.234 8.576 4.283 463 HG22 ILE 52 2HG2 ILE 52 -6.895 9.787 5.381 464 HG23 ILE 52 3HG2 ILE 52 -6.344 8.235 6.011 465 HD11 ILE 52 3HD1 ILE 52 -3.771 7.736 7.324 466 HD12 ILE 52 1HD1 ILE 52 -3.054 6.627 6.153 467 HD13 ILE 52 2HD1 ILE 52 -4.800 6.872 6.179 468 H LYS 53 H LYS 53 -2.771 9.816 2.877 469 HA LYS 53 HA LYS 53 -4.744 8.778 0.943 470 HB2 LYS 53 3HB LYS 53 -3.389 9.447 -0.939 471 HB3 LYS 53 2HB LYS 53 -2.100 10.010 0.114 472 HG2 LYS 53 3HG LYS 53 -3.454 11.846 0.885 473 HG3 LYS 53 2HG LYS 53 -4.840 11.259 -0.040 474 HD2 LYS 53 3HD LYS 53 -2.211 12.161 -1.230 475 HD3 LYS 53 2HD LYS 53 -3.676 13.140 -1.148 476 HE2 LYS 53 3HE LYS 53 -4.847 11.429 -2.512 477 HE3 LYS 53 2HE LYS 53 -3.320 10.560 -2.672 478 HZ1 LYS 53 3HZ LYS 53 -3.673 13.378 -3.525 479 HZ2 LYS 53 1HZ LYS 53 -3.900 12.061 -4.567 480 HZ3 LYS 53 2HZ LYS 53 -2.379 12.348 -3.880 481 H VAL 54 H VAL 54 -4.395 6.655 0.463 482 HA VAL 54 HA VAL 54 -1.848 5.469 1.385 483 HB VAL 54 HB VAL 54 -4.545 4.113 1.186 484 HG11 VAL 54 1HG1 VAL 54 -2.675 2.567 0.877 485 HG12 VAL 54 2HG1 VAL 54 -3.485 2.278 2.418 486 HG13 VAL 54 3HG1 VAL 54 -1.944 3.138 2.377 487 HG21 VAL 54 3HG2 VAL 54 -4.545 4.162 3.647 488 HG22 VAL 54 1HG2 VAL 54 -4.555 5.785 2.959 489 HG23 VAL 54 2HG2 VAL 54 -3.063 5.119 3.624 490 H LEU 55 H LEU 55 -0.670 4.217 0.034 491 HA LEU 55 HA LEU 55 -1.765 3.558 -2.635 492 HB2 LEU 55 3HB LEU 55 1.097 3.946 -1.730 493 HB3 LEU 55 2HB LEU 55 0.169 5.043 -2.734 494 HG LEU 55 HG LEU 55 0.912 2.231 -3.564 495 HD11 LEU 55 1HD1 LEU 55 -0.172 4.567 -5.133 496 HD12 LEU 55 2HD1 LEU 55 -1.050 3.103 -4.691 497 HD13 LEU 55 3HD1 LEU 55 0.312 3.009 -5.806 498 HD21 LEU 55 3HD2 LEU 55 2.631 3.266 -4.973 499 HD22 LEU 55 1HD2 LEU 55 2.935 3.549 -3.259 500 HD23 LEU 55 2HD2 LEU 55 2.267 4.838 -4.260 501 H ILE 56 H ILE 56 -2.107 1.424 -3.032 502 HA ILE 56 HA ILE 56 -0.839 -0.535 -1.215 503 HB ILE 56 HB ILE 56 -3.501 -0.785 -2.642 504 HG12 ILE 56 3HG1 ILE 56 -3.584 0.819 -0.780 505 HG13 ILE 56 2HG1 ILE 56 -2.851 -0.368 0.294 506 HG21 ILE 56 1HG2 ILE 56 -2.146 -2.656 -0.687 507 HG22 ILE 56 2HG2 ILE 56 -2.391 -2.948 -2.410 508 HG23 ILE 56 3HG2 ILE 56 -3.780 -2.849 -1.328 509 HD11 ILE 56 3HD1 ILE 56 -5.249 -0.187 0.645 510 HD12 ILE 56 1HD1 ILE 56 -4.803 -1.796 0.079 511 HD13 ILE 56 2HD1 ILE 56 -5.536 -0.640 -1.035 512 H LEU 57 H LEU 57 0.492 -1.987 -2.082 513 HA LEU 57 HA LEU 57 0.384 -2.500 -4.991 514 HB2 LEU 57 3HB LEU 57 2.779 -3.355 -4.619 515 HB3 LEU 57 2HB LEU 57 2.700 -2.573 -3.053 516 HG LEU 57 HG LEU 57 3.878 -1.228 -4.769 517 HD11 LEU 57 1HD1 LEU 57 1.185 -1.087 -6.120 518 HD12 LEU 57 2HD1 LEU 57 2.619 -1.913 -6.728 519 HD13 LEU 57 3HD1 LEU 57 2.617 -0.158 -6.566 520 HD21 LEU 57 3HD2 LEU 57 2.847 -0.087 -2.885 521 HD22 LEU 57 1HD2 LEU 57 1.318 0.016 -3.760 522 HD23 LEU 57 2HD2 LEU 57 2.730 0.897 -4.345 523 H VAL 58 H VAL 58 -0.449 -4.425 -5.512 524 HA VAL 58 HA VAL 58 -0.354 -6.606 -3.515 525 HB VAL 58 HB VAL 58 -2.481 -7.399 -4.381 526 HG11 VAL 58 1HG1 VAL 58 -3.924 -5.647 -3.560 527 HG12 VAL 58 2HG1 VAL 58 -2.665 -4.438 -3.817 528 HG13 VAL 58 3HG1 VAL 58 -2.453 -5.682 -2.587 529 HG21 VAL 58 3HG2 VAL 58 -2.370 -5.036 -6.262 530 HG22 VAL 58 1HG2 VAL 58 -3.760 -6.094 -6.033 531 HG23 VAL 58 2HG2 VAL 58 -2.267 -6.739 -6.711 532 H SER 59 H SER 59 0.150 -8.693 -4.189 533 HA SER 59 HA SER 59 1.583 -8.933 -6.682 534 HB2 SER 59 3HB SER 59 0.961 -11.016 -4.573 535 HB3 SER 59 2HB SER 59 2.434 -10.054 -4.689 536 HG SER 59 HG SER 59 3.100 -11.221 -6.371 537 H ASN 60 H ASN 60 -1.588 -9.946 -5.536 538 HA ASN 60 HA ASN 60 -2.081 -11.279 -8.133 539 HB2 ASN 60 3HB ASN 60 -3.574 -12.852 -7.006 540 HB3 ASN 60 2HB ASN 60 -3.284 -12.057 -5.461 541 HD21 ASN 60 2HD2 ASN 60 -0.246 -13.661 -4.857 542 HD22 ASN 60 1HD2 ASN 60 -1.333 -12.400 -4.403 543 H ASP 61 H ASP 61 -4.267 -11.197 -8.938 544 HA ASP 61 HA ASP 61 -5.517 -8.677 -8.689 545 HB2 ASP 61 3HB ASP 61 -7.399 -9.763 -9.989 546 HB3 ASP 61 2HB ASP 61 -6.501 -11.275 -9.882 547 H GLU 62 H GLU 62 -6.152 -11.758 -7.081 548 HA GLU 62 HA GLU 62 -8.597 -11.063 -5.856 549 HB2 GLU 62 3HB GLU 62 -6.436 -12.866 -4.733 550 HB3 GLU 62 2HB GLU 62 -7.661 -13.372 -5.890 551 HG2 GLU 62 3HG GLU 62 -9.416 -12.854 -4.252 552 HG3 GLU 62 2HG GLU 62 -8.182 -12.364 -3.092 553 H GLU 63 H GLU 63 -5.257 -10.835 -4.596 554 HA GLU 63 HA GLU 63 -5.730 -9.503 -2.212 555 HB2 GLU 63 3HB GLU 63 -3.456 -8.708 -2.318 556 HB3 GLU 63 2HB GLU 63 -3.427 -8.857 -4.067 557 HG2 GLU 63 3HG GLU 63 -2.128 -10.615 -3.047 558 HG3 GLU 63 2HG GLU 63 -3.525 -11.282 -3.885 559 H LEU 64 H LEU 64 -5.426 -8.214 -5.479 560 HA LEU 64 HA LEU 64 -5.553 -5.476 -5.009 561 HB2 LEU 64 3HB LEU 64 -6.789 -7.013 -7.306 562 HB3 LEU 64 2HB LEU 64 -5.098 -6.568 -7.199 563 HG LEU 64 HG LEU 64 -7.318 -4.522 -7.238 564 HD11 LEU 64 1HD1 LEU 64 -4.369 -4.300 -7.844 565 HD12 LEU 64 2HD1 LEU 64 -5.152 -3.779 -6.353 566 HD13 LEU 64 3HD1 LEU 64 -5.548 -2.986 -7.877 567 HD21 LEU 64 3HD2 LEU 64 -6.874 -4.230 -9.616 568 HD22 LEU 64 1HD2 LEU 64 -7.436 -5.868 -9.282 569 HD23 LEU 64 2HD2 LEU 64 -5.723 -5.567 -9.581 570 H ASP 65 H ASP 65 -8.270 -7.663 -5.787 571 HA ASP 65 HA ASP 65 -10.266 -5.699 -5.504 572 HB2 ASP 65 3HB ASP 65 -10.585 -8.698 -5.273 573 HB3 ASP 65 2HB ASP 65 -10.533 -7.805 -6.792 574 H LYS 66 H LYS 66 -9.167 -8.224 -3.213 575 HA LYS 66 HA LYS 66 -11.061 -7.775 -1.211 576 HB2 LYS 66 3HB LYS 66 -9.443 -8.790 0.347 577 HB3 LYS 66 2HB LYS 66 -8.167 -8.591 -0.844 578 HG2 LYS 66 3HG LYS 66 -8.907 -10.876 -0.821 579 HG3 LYS 66 2HG LYS 66 -9.342 -10.129 -2.355 580 HD2 LYS 66 3HD LYS 66 -11.227 -11.383 -1.749 581 HD3 LYS 66 2HD LYS 66 -11.651 -9.724 -1.335 582 HE2 LYS 66 3HE LYS 66 -10.524 -11.665 0.672 583 HE3 LYS 66 2HE LYS 66 -12.251 -11.524 0.355 584 HZ1 LYS 66 3HZ LYS 66 -11.690 -10.175 2.213 585 HZ2 LYS 66 1HZ LYS 66 -12.076 -9.154 0.923 586 HZ3 LYS 66 2HZ LYS 66 -10.459 -9.393 1.356 587 H ALA 67 H ALA 67 -7.885 -6.221 -1.665 588 HA ALA 67 HA ALA 67 -7.865 -4.609 0.611 589 HB1 ALA 67 3HB ALA 67 -6.699 -3.978 -2.101 590 HB2 ALA 67 1HB ALA 67 -5.919 -4.926 -0.834 591 HB3 ALA 67 2HB ALA 67 -6.252 -3.213 -0.576 592 H LYS 68 H LYS 68 -9.008 -3.716 -2.672 593 HA LYS 68 HA LYS 68 -9.904 -1.142 -1.913 594 HB2 LYS 68 3HB LYS 68 -9.509 -1.427 -4.210 595 HB3 LYS 68 2HB LYS 68 -11.254 -1.264 -4.077 596 HG2 LYS 68 3HG LYS 68 -11.492 -3.697 -4.247 597 HG3 LYS 68 2HG LYS 68 -9.742 -3.850 -4.390 598 HD2 LYS 68 3HD LYS 68 -10.441 -3.952 -6.602 599 HD3 LYS 68 2HD LYS 68 -9.989 -2.256 -6.418 600 HE2 LYS 68 3HE LYS 68 -12.089 -2.401 -7.604 601 HE3 LYS 68 2HE LYS 68 -12.370 -1.702 -6.010 602 HZ1 LYS 68 3HZ LYS 68 -13.186 -3.805 -5.226 603 HZ2 LYS 68 1HZ LYS 68 -12.809 -4.561 -6.692 604 HZ3 LYS 68 2HZ LYS 68 -14.027 -3.389 -6.629 605 H GLU 69 H GLU 69 -11.540 -4.275 -1.822 606 HA GLU 69 HA GLU 69 -14.169 -3.303 -1.476 607 HB2 GLU 69 3HB GLU 69 -14.661 -5.518 -0.453 608 HB3 GLU 69 2HB GLU 69 -12.937 -5.876 -0.449 609 HG2 GLU 69 3HG GLU 69 -14.149 -6.928 -2.314 610 HG3 GLU 69 2HG GLU 69 -12.860 -5.852 -2.841 611 H LEU 70 H LEU 70 -11.691 -4.145 0.962 612 HA LEU 70 HA LEU 70 -13.215 -3.491 3.242 613 HB2 LEU 70 3HB LEU 70 -10.977 -3.200 4.364 614 HB3 LEU 70 2HB LEU 70 -10.224 -3.406 2.793 615 HG LEU 70 HG LEU 70 -11.146 -5.696 2.655 616 HD11 LEU 70 1HD1 LEU 70 -9.606 -5.198 5.204 617 HD12 LEU 70 2HD1 LEU 70 -8.907 -5.337 3.592 618 HD13 LEU 70 3HD1 LEU 70 -9.706 -6.729 4.327 619 HD21 LEU 70 3HD2 LEU 70 -13.157 -5.352 4.016 620 HD22 LEU 70 1HD2 LEU 70 -12.153 -5.179 5.457 621 HD23 LEU 70 2HD2 LEU 70 -12.209 -6.720 4.599 622 H ALA 71 H ALA 71 -11.016 -1.513 1.280 623 HA ALA 71 HA ALA 71 -11.113 0.830 2.833 624 HB1 ALA 71 3HB ALA 71 -10.198 1.964 0.895 625 HB2 ALA 71 1HB ALA 71 -10.645 0.606 -0.139 626 HB3 ALA 71 2HB ALA 71 -9.418 0.397 1.111 627 H GLN 72 H GLN 72 -13.055 -0.069 -0.040 628 HA GLN 72 HA GLN 72 -14.545 2.269 -0.296 629 HB2 GLN 72 3HB GLN 72 -16.310 0.803 -1.339 630 HB3 GLN 72 2HB GLN 72 -15.345 -0.589 -0.869 631 HG2 GLN 72 3HG GLN 72 -13.487 0.267 -2.250 632 HG3 GLN 72 2HG GLN 72 -14.522 1.599 -2.769 633 HE21 GLN 72 2HE2 GLN 72 -15.002 -2.129 -4.301 634 HE22 GLN 72 1HE2 GLN 72 -13.975 -1.833 -2.947 635 H LYS 73 H LYS 73 -15.328 -0.632 1.632 636 HA LYS 73 HA LYS 73 -17.834 0.270 2.548 637 HB2 LYS 73 3HB LYS 73 -17.597 -1.479 4.299 638 HB3 LYS 73 2HB LYS 73 -15.920 -1.698 3.814 639 HG2 LYS 73 3HG LYS 73 -16.611 -2.468 1.624 640 HG3 LYS 73 2HG LYS 73 -18.302 -2.155 2.018 641 HD2 LYS 73 3HD LYS 73 -17.824 -4.526 2.245 642 HD3 LYS 73 2HD LYS 73 -18.181 -3.827 3.824 643 HE2 LYS 73 3HE LYS 73 -15.732 -3.657 4.246 644 HE3 LYS 73 2HE LYS 73 -15.450 -4.495 2.721 645 HZ1 LYS 73 3HZ LYS 73 -16.756 -6.369 3.600 646 HZ2 LYS 73 1HZ LYS 73 -16.883 -5.570 5.085 647 HZ3 LYS 73 2HZ LYS 73 -15.370 -6.062 4.514 648 H MET 74 H MET 74 -14.576 0.763 3.845 649 HA MET 74 HA MET 74 -15.703 2.190 6.153 650 HB2 MET 74 3HB MET 74 -13.325 2.197 6.979 651 HB3 MET 74 2HB MET 74 -12.896 1.237 5.567 652 HG2 MET 74 3HG MET 74 -14.394 -0.537 6.289 653 HG3 MET 74 2HG MET 74 -14.903 0.431 7.671 654 HE1 MET 74 3HE MET 74 -12.024 -1.602 6.015 655 HE2 MET 74 1HE MET 74 -10.688 -1.363 7.140 656 HE3 MET 74 2HE MET 74 -11.272 -0.014 6.165 657 H GLU 75 H GLU 75 -15.190 3.099 3.161 658 HA GLU 75 HA GLU 75 -14.967 5.103 2.110 659 HB2 GLU 75 3HB GLU 75 -15.522 7.120 3.365 660 HB3 GLU 75 2HB GLU 75 -15.270 6.271 4.885 661 HG2 GLU 75 3HG GLU 75 -17.177 4.872 4.499 662 HG3 GLU 75 2HG GLU 75 -17.372 5.509 2.866 663 H ILE 76 H ILE 76 -12.506 3.906 2.624 664 HA ILE 76 HA ILE 76 -10.750 6.170 3.345 665 HB ILE 76 HB ILE 76 -10.073 3.219 3.266 666 HG12 ILE 76 3HG1 ILE 76 -11.628 3.833 5.099 667 HG13 ILE 76 2HG1 ILE 76 -10.499 5.075 5.631 668 HG21 ILE 76 1HG2 ILE 76 -8.434 5.574 4.228 669 HG22 ILE 76 2HG2 ILE 76 -8.137 4.637 2.763 670 HG23 ILE 76 3HG2 ILE 76 -7.968 3.876 4.345 671 HD11 ILE 76 3HD1 ILE 76 -10.361 3.096 7.016 672 HD12 ILE 76 1HD1 ILE 76 -8.850 3.372 6.151 673 HD13 ILE 76 2HD1 ILE 76 -9.962 2.118 5.604 674 H ASP 77 H ASP 77 -9.418 7.044 1.852 675 HA ASP 77 HA ASP 77 -9.643 6.204 -0.897 676 HB2 ASP 77 3HB ASP 77 -8.270 8.171 -1.398 677 HB3 ASP 77 2HB ASP 77 -7.942 8.395 0.318 678 H VAL 78 H VAL 78 -8.575 4.328 -1.334 679 HA VAL 78 HA VAL 78 -5.656 4.313 -0.870 680 HB VAL 78 HB VAL 78 -5.693 1.888 -0.795 681 HG11 VAL 78 1HG1 VAL 78 -5.994 3.077 1.315 682 HG12 VAL 78 2HG1 VAL 78 -6.883 1.554 1.328 683 HG13 VAL 78 3HG1 VAL 78 -7.742 3.076 1.084 684 HG21 VAL 78 3HG2 VAL 78 -8.693 2.101 -1.120 685 HG22 VAL 78 1HG2 VAL 78 -7.799 0.620 -0.785 686 HG23 VAL 78 2HG2 VAL 78 -7.562 1.465 -2.314 687 H ARG 79 H ARG 79 -4.324 3.741 -2.557 688 HA ARG 79 HA ARG 79 -5.578 3.617 -5.221 689 HB2 ARG 79 3HB ARG 79 -3.469 4.442 -6.096 690 HB3 ARG 79 2HB ARG 79 -2.704 4.275 -4.519 691 HG2 ARG 79 3HG ARG 79 -4.292 5.975 -3.631 692 HG3 ARG 79 2HG ARG 79 -4.902 6.202 -5.271 693 HD2 ARG 79 3HD ARG 79 -2.009 6.572 -4.511 694 HD3 ARG 79 2HD ARG 79 -3.187 7.880 -4.502 695 HE ARG 79 HE ARG 79 -3.011 6.468 -7.010 696 HH11 ARG 79 1HH1 ARG 79 -1.748 9.051 -5.112 697 HH12 ARG 79 2HH1 ARG 79 -1.206 9.946 -6.482 698 HH21 ARG 79 2HH2 ARG 79 -1.528 9.153 -8.531 699 HH22 ARG 79 1HH2 ARG 79 -2.306 7.626 -8.770 700 H THR 80 H THR 80 -5.997 1.445 -5.421 701 HA THR 80 HA THR 80 -4.084 -0.574 -4.672 702 HB THR 80 HB THR 80 -5.790 -2.134 -5.771 703 HG1 THR 80 HG1 THR 80 -6.953 -0.828 -7.109 704 HG21 THR 80 3HG2 THR 80 -6.683 -0.328 -3.518 705 HG22 THR 80 1HG2 THR 80 -5.727 -1.802 -3.364 706 HG23 THR 80 2HG2 THR 80 -7.401 -1.890 -3.917 707 H ARG 81 H ARG 81 -2.406 -1.135 -5.866 708 HA ARG 81 HA ARG 81 -2.678 -1.290 -8.806 709 HB2 ARG 81 3HB ARG 81 -0.318 -0.636 -9.016 710 HB3 ARG 81 2HB ARG 81 -0.190 -0.481 -7.270 711 HG2 ARG 81 3HG ARG 81 -0.381 1.699 -8.293 712 HG3 ARG 81 2HG ARG 81 -1.810 1.358 -7.316 713 HD2 ARG 81 3HD ARG 81 -3.078 0.787 -9.313 714 HD3 ARG 81 2HD ARG 81 -1.646 1.037 -10.315 715 HE ARG 81 HE ARG 81 -2.191 3.378 -8.848 716 HH11 ARG 81 1HH1 ARG 81 -3.444 1.543 -11.479 717 HH12 ARG 81 2HH1 ARG 81 -4.136 2.920 -12.258 718 HH21 ARG 81 2HH2 ARG 81 -3.922 4.938 -11.356 719 HH22 ARG 81 1HH2 ARG 81 -3.078 5.141 -9.861 720 H LYS 82 H LYS 82 -1.638 -3.072 -9.801 721 HA LYS 82 HA LYS 82 -0.883 -5.228 -7.931 722 HB2 LYS 82 3HB LYS 82 -1.854 -5.455 -10.790 723 HB3 LYS 82 2HB LYS 82 -2.858 -5.666 -9.362 724 HG2 LYS 82 3HG LYS 82 -1.541 -7.609 -8.694 725 HG3 LYS 82 2HG LYS 82 -0.485 -7.387 -10.089 726 HD2 LYS 82 3HD LYS 82 -3.448 -7.975 -10.219 727 HD3 LYS 82 2HD LYS 82 -2.158 -9.153 -10.471 728 HE2 LYS 82 3HE LYS 82 -1.341 -7.811 -12.379 729 HE3 LYS 82 2HE LYS 82 -2.696 -6.703 -12.157 730 HZ1 LYS 82 3HZ LYS 82 -3.228 -8.249 -13.874 731 HZ2 LYS 82 1HZ LYS 82 -4.196 -8.608 -12.534 732 HZ3 LYS 82 2HZ LYS 82 -2.853 -9.573 -12.893 733 H VAL 83 H VAL 83 1.163 -5.977 -7.924 734 HA VAL 83 HA VAL 83 2.869 -5.628 -10.283 735 HB VAL 83 HB VAL 83 4.740 -4.772 -8.900 736 HG11 VAL 83 1HG1 VAL 83 2.271 -3.030 -8.823 737 HG12 VAL 83 2HG1 VAL 83 3.374 -3.206 -10.187 738 HG13 VAL 83 3HG1 VAL 83 3.938 -2.469 -8.688 739 HG21 VAL 83 3HG2 VAL 83 4.020 -5.605 -6.717 740 HG22 VAL 83 1HG2 VAL 83 2.649 -4.495 -6.733 741 HG23 VAL 83 2HG2 VAL 83 4.294 -3.864 -6.660 742 H THR 84 H THR 84 4.168 -7.326 -10.661 743 HA THR 84 HA THR 84 4.679 -9.286 -8.509 744 HB THR 84 HB THR 84 5.327 -10.870 -10.267 745 HG1 THR 84 HG1 THR 84 5.986 -9.980 -12.072 746 HG21 THR 84 3HG2 THR 84 3.141 -11.207 -11.324 747 HG22 THR 84 1HG2 THR 84 2.658 -9.575 -10.861 748 HG23 THR 84 2HG2 THR 84 2.959 -10.791 -9.621 749 H SER 85 H SER 85 6.174 -7.049 -10.712 750 HA SER 85 HA SER 85 8.874 -7.909 -9.934 751 HB2 SER 85 3HB SER 85 9.660 -6.425 -11.743 752 HB3 SER 85 2HB SER 85 8.002 -5.904 -12.038 753 HG SER 85 HG SER 85 8.828 -7.622 -13.436 754 HA PRO 86 HA PRO 86 9.262 -4.716 -6.875 755 HB2 PRO 86 2HB PRO 86 11.993 -4.283 -7.077 756 HB3 PRO 86 3HB PRO 86 11.241 -5.586 -6.150 757 HG2 PRO 86 3HG PRO 86 12.557 -6.846 -7.595 758 HG3 PRO 86 2HG PRO 86 12.418 -5.655 -8.904 759 HD2 PRO 86 3HD PRO 86 10.433 -7.720 -7.999 760 HD3 PRO 86 2HD PRO 86 10.881 -7.236 -9.650 761 H ASP 87 H ASP 87 11.044 -4.134 -9.929 762 HA ASP 87 HA ASP 87 11.326 -1.376 -9.752 763 HB2 ASP 87 3HB ASP 87 11.405 -1.433 -12.274 764 HB3 ASP 87 2HB ASP 87 10.966 -3.139 -12.182 765 H GLU 88 H GLU 88 8.520 -3.227 -10.874 766 HA GLU 88 HA GLU 88 6.988 -1.085 -11.863 767 HB2 GLU 88 3HB GLU 88 5.027 -2.562 -11.444 768 HB3 GLU 88 2HB GLU 88 6.074 -3.655 -10.549 769 HG2 GLU 88 3HG GLU 88 5.717 -4.515 -12.763 770 HG3 GLU 88 2HG GLU 88 7.400 -4.027 -12.591 771 H ALA 89 H ALA 89 6.928 -2.599 -8.621 772 HA ALA 89 HA ALA 89 5.151 -0.817 -7.389 773 HB1 ALA 89 3HB ALA 89 6.075 -1.611 -5.271 774 HB2 ALA 89 1HB ALA 89 7.458 -2.301 -6.122 775 HB3 ALA 89 2HB ALA 89 5.841 -2.951 -6.394 776 H LYS 90 H LYS 90 8.665 -0.645 -7.776 777 HA LYS 90 HA LYS 90 9.218 1.616 -6.242 778 HB2 LYS 90 3HB LYS 90 11.169 1.903 -7.873 779 HB3 LYS 90 2HB LYS 90 10.520 0.512 -8.734 780 HG2 LYS 90 3HG LYS 90 10.667 -0.746 -6.536 781 HG3 LYS 90 2HG LYS 90 11.605 0.617 -5.928 782 HD2 LYS 90 3HD LYS 90 12.314 -1.217 -8.215 783 HD3 LYS 90 2HD LYS 90 13.131 -1.079 -6.661 784 HE2 LYS 90 3HE LYS 90 13.037 1.008 -8.836 785 HE3 LYS 90 2HE LYS 90 14.427 0.039 -8.356 786 HZ1 LYS 90 3HZ LYS 90 14.668 2.157 -7.387 787 HZ2 LYS 90 1HZ LYS 90 14.253 1.104 -6.133 788 HZ3 LYS 90 2HZ LYS 90 13.095 2.157 -6.777 789 H ARG 91 H ARG 91 8.094 1.406 -9.611 790 HA ARG 91 HA ARG 91 8.173 4.168 -10.198 791 HB2 ARG 91 3HB ARG 91 6.360 1.991 -11.269 792 HB3 ARG 91 2HB ARG 91 7.846 2.589 -11.999 793 HG2 ARG 91 3HG ARG 91 6.844 4.676 -12.548 794 HG3 ARG 91 2HG ARG 91 5.433 4.338 -11.549 795 HD2 ARG 91 3HD ARG 91 4.913 2.421 -13.090 796 HD3 ARG 91 2HD ARG 91 6.189 3.024 -14.151 797 HE ARG 91 HE ARG 91 4.666 5.208 -13.824 798 HH11 ARG 91 1HH1 ARG 91 3.807 1.961 -14.631 799 HH12 ARG 91 2HH1 ARG 91 2.413 2.451 -15.530 800 HH21 ARG 91 2HH2 ARG 91 1.891 4.598 -15.712 801 HH22 ARG 91 1HH2 ARG 91 2.875 5.805 -14.958 802 H TRP 92 H TRP 92 5.476 2.145 -9.019 803 HA TRP 92 HA TRP 92 3.537 4.149 -8.908 804 HB2 TRP 92 3HB TRP 92 2.364 2.660 -7.272 805 HB3 TRP 92 2HB TRP 92 3.806 1.648 -7.223 806 HD1 TRP 92 HD1 TRP 92 3.674 -0.373 -8.808 807 HE1 TRP 92 HE1 TRP 92 2.439 -0.929 -10.996 808 HE3 TRP 92 HE3 TRP 92 1.337 4.108 -9.579 809 HZ2 TRP 92 HZ2 TRP 92 0.700 0.363 -12.811 810 HZ3 TRP 92 HZ3 TRP 92 -0.094 4.367 -11.557 811 HH2 TRP 92 HH2 TRP 92 -0.406 2.533 -13.145 812 H ILE 93 H ILE 93 5.796 3.104 -6.357 813 HA ILE 93 HA ILE 93 4.917 4.952 -4.395 814 HB ILE 93 HB ILE 93 7.659 3.706 -4.727 815 HG12 ILE 93 3HG1 ILE 93 5.854 2.042 -4.508 816 HG13 ILE 93 2HG1 ILE 93 5.272 2.851 -3.058 817 HG21 ILE 93 1HG2 ILE 93 7.754 5.672 -3.280 818 HG22 ILE 93 2HG2 ILE 93 7.961 4.201 -2.333 819 HG23 ILE 93 3HG2 ILE 93 6.415 5.048 -2.316 820 HD11 ILE 93 3HD1 ILE 93 7.938 1.493 -3.364 821 HD12 ILE 93 1HD1 ILE 93 6.531 0.863 -2.503 822 HD13 ILE 93 2HD1 ILE 93 7.353 2.307 -1.910 823 H LYS 94 H LYS 94 7.412 5.162 -6.911 824 HA LYS 94 HA LYS 94 8.485 7.667 -6.354 825 HB2 LYS 94 3HB LYS 94 8.146 6.001 -8.806 826 HB3 LYS 94 2HB LYS 94 9.617 6.584 -8.045 827 HG2 LYS 94 3HG LYS 94 9.274 8.796 -8.980 828 HG3 LYS 94 2HG LYS 94 7.730 8.289 -9.669 829 HD2 LYS 94 3HD LYS 94 9.106 6.473 -10.886 830 HD3 LYS 94 2HD LYS 94 10.509 7.458 -10.467 831 HE2 LYS 94 3HE LYS 94 8.118 8.344 -12.086 832 HE3 LYS 94 2HE LYS 94 9.730 7.996 -12.705 833 HZ1 LYS 94 3HZ LYS 94 9.400 10.355 -12.469 834 HZ2 LYS 94 1HZ LYS 94 10.586 9.839 -11.382 835 HZ3 LYS 94 2HZ LYS 94 9.024 10.187 -10.832 836 H GLU 95 H GLU 95 5.751 6.959 -8.568 837 HA GLU 95 HA GLU 95 5.228 9.680 -9.156 838 HB2 GLU 95 3HB GLU 95 3.198 8.873 -10.240 839 HB3 GLU 95 2HB GLU 95 3.339 7.326 -9.413 840 HG2 GLU 95 3HG GLU 95 5.387 6.834 -10.621 841 HG3 GLU 95 2HG GLU 95 5.333 8.414 -11.400 842 H PHE 96 H PHE 96 3.810 7.443 -6.810 843 HA PHE 96 HA PHE 96 1.762 9.117 -5.835 844 HB2 PHE 96 3HB PHE 96 3.307 6.890 -4.487 845 HB3 PHE 96 2HB PHE 96 1.802 6.731 -5.383 846 HD1 PHE 96 HD1 PHE 96 3.242 7.130 -2.174 847 HD2 PHE 96 HD2 PHE 96 -0.240 8.051 -4.454 848 HE1 PHE 96 HE1 PHE 96 1.961 7.422 -0.094 849 HE2 PHE 96 HE2 PHE 96 -1.523 8.343 -2.375 850 HZ PHE 96 HZ PHE 96 -0.426 8.030 -0.193 851 H SER 97 H SER 97 5.186 8.944 -5.086 852 HA SER 97 HA SER 97 4.991 10.655 -2.763 853 HB2 SER 97 3HB SER 97 7.417 9.703 -4.310 854 HB3 SER 97 2HB SER 97 6.754 8.970 -2.850 855 HG SER 97 HG SER 97 7.380 10.730 -1.677 856 H GLU 98 H GLU 98 6.111 11.052 -6.127 857 HA GLU 98 HA GLU 98 7.229 13.594 -5.900 858 HB2 GLU 98 3HB GLU 98 6.828 13.797 -8.359 859 HB3 GLU 98 2HB GLU 98 5.863 12.327 -8.283 860 HG2 GLU 98 3HG GLU 98 7.808 11.065 -7.546 861 HG3 GLU 98 2HG GLU 98 8.782 12.533 -7.562 862 H GLU 99 H GLU 99 3.834 12.714 -6.425 863 HA GLU 99 HA GLU 99 2.908 15.337 -6.974 864 HB2 GLU 99 3HB GLU 99 1.546 13.394 -7.524 865 HB3 GLU 99 2HB GLU 99 0.663 14.475 -6.455 866 HG2 GLU 99 3HG GLU 99 1.203 13.014 -4.550 867 HG3 GLU 99 2HG GLU 99 2.037 11.917 -5.651 868 H GLY 100 H GLY 100 3.744 13.737 -4.002 869 HA2 GLY 100 3HA GLY 100 3.669 16.115 -2.474 870 HA3 GLY 100 2HA GLY 100 3.852 14.491 -1.832 871 H GLY 101 H GLY 101 1.303 13.548 -2.892 872 HA2 GLY 101 3HA GLY 101 -0.401 14.501 -0.752 873 HA3 GLY 101 2HA GLY 101 -0.754 13.194 -1.869 874 H SER 102 H SER 102 -0.068 16.669 -2.345 875 HA SER 102 HA SER 102 -2.421 16.849 -4.097 876 HB2 SER 102 3HB SER 102 -3.123 18.981 -2.999 877 HB3 SER 102 2HB SER 102 -1.911 18.701 -1.747 878 HG SER 102 HG SER 102 -3.101 16.552 -1.567 879 H LEU 103 H LEU 103 -2.481 19.042 -5.236 880 HA LEU 103 HA LEU 103 -0.199 19.288 -6.805 881 HB2 LEU 103 3HB LEU 103 -1.230 21.323 -7.714 882 HB3 LEU 103 2HB LEU 103 -2.348 21.364 -6.363 883 HG LEU 103 HG LEU 103 -3.370 19.268 -7.121 884 HD11 LEU 103 1HD1 LEU 103 -4.442 20.106 -9.145 885 HD12 LEU 103 2HD1 LEU 103 -3.179 21.324 -9.323 886 HD13 LEU 103 3HD1 LEU 103 -4.274 21.385 -7.942 887 HD21 LEU 103 3HD2 LEU 103 -1.431 18.212 -8.139 888 HD22 LEU 103 1HD2 LEU 103 -1.409 19.434 -9.412 889 HD23 LEU 103 2HD2 LEU 103 -2.756 18.302 -9.298 890 H GLU 104 H GLU 104 -1.250 21.373 -4.102 891 HA GLU 104 HA GLU 104 1.180 22.942 -4.223 892 HB2 GLU 104 3HB GLU 104 -0.847 24.055 -3.510 893 HB3 GLU 104 2HB GLU 104 0.309 24.055 -2.187 894 HG2 GLU 104 3HG GLU 104 -0.897 22.149 -1.171 895 HG3 GLU 104 2HG GLU 104 -2.092 22.253 -2.463 896 H HIS 105 H HIS 105 2.292 20.665 -4.096 897 HA HIS 105 HA HIS 105 2.524 19.433 -1.538 898 HB2 HIS 105 3HB HIS 105 2.971 18.018 -3.361 899 HB3 HIS 105 2HB HIS 105 4.539 18.279 -2.609 900 HD1 HIS 105 HD1 HIS 105 6.101 20.117 -3.877 901 HD2 HIS 105 HD2 HIS 105 2.895 18.573 -6.025 902 HE1 HIS 105 HE1 HIS 105 6.613 20.595 -6.286 903 HE2 HIS 105 HE2 HIS 105 4.735 19.532 -7.572 904 H HIS 106 H HIS 106 3.322 20.508 0.143 905 HA HIS 106 HA HIS 106 5.537 22.391 -0.163 906 HB2 HIS 106 3HB HIS 106 5.068 23.047 2.124 907 HB3 HIS 106 2HB HIS 106 4.019 21.652 2.354 908 HD1 HIS 106 HD1 HIS 106 4.125 24.908 0.420 909 HD2 HIS 106 HD2 HIS 106 1.394 22.058 1.715 910 HE1 HIS 106 HE1 HIS 106 1.863 25.853 -0.110 911 HE2 HIS 106 HE2 HIS 106 0.228 24.175 0.792 912 H HIS 107 H HIS 107 7.441 22.285 1.234 913 HA HIS 107 HA HIS 107 8.809 19.874 1.265 914 HB2 HIS 107 3HB HIS 107 10.361 20.944 2.900 915 HB3 HIS 107 2HB HIS 107 9.205 22.253 3.101 916 HD1 HIS 107 HD1 HIS 107 9.736 24.246 1.749 917 HD2 HIS 107 HD2 HIS 107 11.148 20.764 -0.026 918 HE1 HIS 107 HE1 HIS 107 10.924 24.986 -0.331 919 HE2 HIS 107 HE2 HIS 107 11.655 22.860 -1.454 920 H HIS 108 H HIS 108 8.219 18.042 2.280 921 HA HIS 108 HA HIS 108 7.875 18.069 5.168 922 HB2 HIS 108 3HB HIS 108 5.810 16.485 4.844 923 HB3 HIS 108 2HB HIS 108 5.668 17.287 3.285 924 HD1 HIS 108 HD1 HIS 108 5.685 18.123 6.984 925 HD2 HIS 108 HD2 HIS 108 4.402 19.716 3.362 926 HE1 HIS 108 HE1 HIS 108 4.338 20.148 7.581 927 HE2 HIS 108 HE2 HIS 108 3.761 21.212 5.378 928 H HIS 109 H HIS 109 8.877 16.425 6.066 929 HA HIS 109 HA HIS 109 8.923 13.805 4.754 930 HB2 HIS 109 3HB HIS 109 11.330 13.510 5.437 931 HB3 HIS 109 2HB HIS 109 11.379 15.225 5.833 932 HD1 HIS 109 HD1 HIS 109 11.991 16.772 3.978 933 HD2 HIS 109 HD2 HIS 109 10.819 13.037 2.585 934 HE1 HIS 109 HE1 HIS 109 12.435 16.807 1.510 935 HE2 HIS 109 HE2 HIS 109 11.869 14.486 0.720 936 H HIS 110 H HIS 110 8.288 12.264 6.175 937 HA HIS 110 HA HIS 110 7.724 13.071 8.887 938 HB2 HIS 110 3HB HIS 110 7.373 10.253 7.870 939 HB3 HIS 110 2HB HIS 110 6.281 11.536 7.358 940 HD1 HIS 110 HD1 HIS 110 4.280 10.424 8.594 941 HD2 HIS 110 HD2 HIS 110 7.433 11.489 11.088 942 HE1 HIS 110 HE1 HIS 110 3.354 10.345 10.921 943 HE2 HIS 110 HE2 HIS 110 5.333 10.764 12.411 Start of MODEL 2 1 H1 MET 1 1H MET 1 -0.745 16.660 5.509 2 H2 MET 1 2H MET 1 -1.143 17.648 4.198 3 H3 MET 1 3H MET 1 0.376 16.920 4.270 4 HA MET 1 HA MET 1 -2.206 15.492 4.010 5 HB2 MET 1 3HB MET 1 0.002 15.667 1.949 6 HB3 MET 1 2HB MET 1 -1.298 16.850 2.013 7 HG2 MET 1 3HG MET 1 -1.681 13.884 1.643 8 HG3 MET 1 2HG MET 1 -1.706 15.091 0.356 9 HE1 MET 1 3HE MET 1 -4.083 14.315 -0.462 10 HE2 MET 1 1HE MET 1 -5.484 14.146 0.595 11 HE3 MET 1 2HE MET 1 -4.107 13.058 0.778 12 H LEU 2 H LEU 2 -2.091 13.426 4.720 13 HA LEU 2 HA LEU 2 0.495 12.370 5.552 14 HB2 LEU 2 3HB LEU 2 -0.784 10.615 6.672 15 HB3 LEU 2 2HB LEU 2 -2.262 11.186 5.925 16 HG LEU 2 HG LEU 2 -0.695 13.038 7.695 17 HD11 LEU 2 1HD1 LEU 2 -2.916 13.954 8.168 18 HD12 LEU 2 2HD1 LEU 2 -3.637 12.748 7.102 19 HD13 LEU 2 3HD1 LEU 2 -2.550 13.971 6.443 20 HD21 LEU 2 3HD2 LEU 2 -0.884 10.999 9.000 21 HD22 LEU 2 1HD2 LEU 2 -2.613 10.917 8.660 22 HD23 LEU 2 2HD2 LEU 2 -1.967 12.238 9.636 23 H LEU 3 H LEU 3 1.573 10.730 4.587 24 HA LEU 3 HA LEU 3 0.284 9.373 2.297 25 HB2 LEU 3 3HB LEU 3 2.507 9.378 1.202 26 HB3 LEU 3 2HB LEU 3 3.153 10.297 2.549 27 HG LEU 3 HG LEU 3 1.618 12.166 1.982 28 HD11 LEU 3 1HD1 LEU 3 3.894 12.169 1.111 29 HD12 LEU 3 2HD1 LEU 3 2.776 12.903 -0.037 30 HD13 LEU 3 3HD1 LEU 3 3.366 11.263 -0.308 31 HD21 LEU 3 3HD2 LEU 3 0.909 10.476 -0.418 32 HD22 LEU 3 1HD2 LEU 3 0.426 12.153 -0.152 33 HD23 LEU 3 2HD2 LEU 3 -0.163 10.886 0.923 34 H TYR 4 H TYR 4 0.085 7.255 2.616 35 HA TYR 4 HA TYR 4 2.150 5.801 4.151 36 HB2 TYR 4 3HB TYR 4 0.241 4.302 4.933 37 HB3 TYR 4 2HB TYR 4 -0.858 5.533 4.319 38 HD1 TYR 4 HD1 TYR 4 -1.009 7.736 5.435 39 HD2 TYR 4 HD2 TYR 4 1.529 4.665 6.934 40 HE1 TYR 4 HE1 TYR 4 -0.802 8.952 7.565 41 HE2 TYR 4 HE2 TYR 4 1.733 5.864 9.062 42 HH TYR 4 HH TYR 4 1.546 8.377 9.770 43 H VAL 5 H VAL 5 2.623 3.681 3.491 44 HA VAL 5 HA VAL 5 1.423 2.813 0.929 45 HB VAL 5 HB VAL 5 4.351 2.604 1.691 46 HG11 VAL 5 1HG1 VAL 5 4.671 1.743 -0.594 47 HG12 VAL 5 2HG1 VAL 5 2.922 1.758 -0.833 48 HG13 VAL 5 3HG1 VAL 5 3.640 0.689 0.373 49 HG21 VAL 5 3HG2 VAL 5 3.699 4.897 1.085 50 HG22 VAL 5 1HG2 VAL 5 3.034 4.305 -0.439 51 HG23 VAL 5 2HG2 VAL 5 4.767 4.185 -0.123 52 H LEU 6 H LEU 6 0.516 0.859 1.080 53 HA LEU 6 HA LEU 6 1.507 -1.083 3.071 54 HB2 LEU 6 3HB LEU 6 -0.674 -2.209 2.788 55 HB3 LEU 6 2HB LEU 6 -1.146 -0.997 1.612 56 HG LEU 6 HG LEU 6 -1.126 0.731 3.349 57 HD11 LEU 6 1HD1 LEU 6 -2.715 -1.714 4.139 58 HD12 LEU 6 2HD1 LEU 6 -3.192 -0.500 2.952 59 HD13 LEU 6 3HD1 LEU 6 -3.044 -0.058 4.652 60 HD21 LEU 6 3HD2 LEU 6 -0.816 0.128 5.711 61 HD22 LEU 6 1HD2 LEU 6 0.650 -0.150 4.771 62 HD23 LEU 6 2HD2 LEU 6 -0.373 -1.511 5.233 63 H ILE 7 H ILE 7 2.436 -2.960 2.363 64 HA ILE 7 HA ILE 7 2.202 -3.586 -0.519 65 HB ILE 7 HB ILE 7 4.446 -2.763 -0.012 66 HG12 ILE 7 3HG1 ILE 7 4.157 -4.505 -1.744 67 HG13 ILE 7 2HG1 ILE 7 4.422 -5.754 -0.533 68 HG21 ILE 7 1HG2 ILE 7 4.566 -3.353 2.350 69 HG22 ILE 7 2HG2 ILE 7 5.956 -3.996 1.476 70 HG23 ILE 7 3HG2 ILE 7 4.631 -5.067 1.934 71 HD11 ILE 7 3HD1 ILE 7 6.425 -3.695 -1.427 72 HD12 ILE 7 1HD1 ILE 7 6.417 -5.409 -1.840 73 HD13 ILE 7 2HD1 ILE 7 6.695 -4.906 -0.174 74 H ILE 8 H ILE 8 1.529 -5.572 -1.058 75 HA ILE 8 HA ILE 8 1.500 -7.688 1.011 76 HB ILE 8 HB ILE 8 -0.435 -7.381 -1.306 77 HG12 ILE 8 3HG1 ILE 8 -0.721 -5.604 0.397 78 HG13 ILE 8 2HG1 ILE 8 -0.877 -6.837 1.643 79 HG21 ILE 8 1HG2 ILE 8 -1.717 -9.144 -0.147 80 HG22 ILE 8 2HG2 ILE 8 -0.419 -9.291 1.039 81 HG23 ILE 8 3HG2 ILE 8 -0.121 -9.699 -0.651 82 HD11 ILE 8 3HD1 ILE 8 -2.907 -7.668 0.574 83 HD12 ILE 8 1HD1 ILE 8 -2.755 -6.420 -0.665 84 HD13 ILE 8 2HD1 ILE 8 -3.038 -5.964 1.013 85 H SER 9 H SER 9 3.245 -8.938 0.521 86 HA SER 9 HA SER 9 3.198 -10.487 -1.901 87 HB2 SER 9 3HB SER 9 5.539 -8.603 -1.469 88 HB3 SER 9 2HB SER 9 4.354 -8.498 -2.767 89 HG SER 9 HG SER 9 6.054 -9.566 -3.642 90 H ASN 10 H ASN 10 5.159 -11.984 -1.990 91 HA ASN 10 HA ASN 10 5.989 -12.732 0.745 92 HB2 ASN 10 3HB ASN 10 6.188 -15.047 -0.082 93 HB3 ASN 10 2HB ASN 10 5.650 -14.523 -1.675 94 HD21 ASN 10 2HD2 ASN 10 2.751 -14.010 1.119 95 HD22 ASN 10 1HD2 ASN 10 4.293 -13.256 1.293 96 H ASP 11 H ASP 11 7.036 -11.800 -2.391 97 HA ASP 11 HA ASP 11 9.649 -12.892 -2.365 98 HB2 ASP 11 3HB ASP 11 10.096 -11.190 -4.148 99 HB3 ASP 11 2HB ASP 11 8.487 -10.536 -3.858 100 H LYS 12 H LYS 12 11.180 -12.423 -0.942 101 HA LYS 12 HA LYS 12 11.008 -10.359 0.935 102 HB2 LYS 12 3HB LYS 12 13.256 -11.020 1.630 103 HB3 LYS 12 2HB LYS 12 13.478 -11.906 0.125 104 HG2 LYS 12 3HG LYS 12 12.946 -13.414 1.962 105 HG3 LYS 12 2HG LYS 12 11.669 -13.430 0.745 106 HD2 LYS 12 3HD LYS 12 10.378 -11.828 2.156 107 HD3 LYS 12 2HD LYS 12 11.622 -11.985 3.399 108 HE2 LYS 12 3HE LYS 12 9.788 -13.440 3.953 109 HE3 LYS 12 2HE LYS 12 11.172 -14.424 3.483 110 HZ1 LYS 12 3HZ LYS 12 10.178 -14.698 1.285 111 HZ2 LYS 12 1HZ LYS 12 8.845 -13.768 1.752 112 HZ3 LYS 12 2HZ LYS 12 9.141 -15.259 2.493 113 H LYS 13 H LYS 13 13.243 -10.564 -1.870 114 HA LYS 13 HA LYS 13 14.497 -8.089 -1.381 115 HB2 LYS 13 3HB LYS 13 15.307 -8.221 -3.706 116 HB3 LYS 13 2HB LYS 13 14.174 -9.530 -4.026 117 HG2 LYS 13 3HG LYS 13 16.416 -10.390 -3.654 118 HG3 LYS 13 2HG LYS 13 15.315 -10.935 -2.390 119 HD2 LYS 13 3HD LYS 13 17.308 -10.337 -1.273 120 HD3 LYS 13 2HD LYS 13 16.184 -9.013 -0.976 121 HE2 LYS 13 3HE LYS 13 18.231 -8.940 -3.187 122 HE3 LYS 13 2HE LYS 13 18.569 -8.369 -1.557 123 HZ1 LYS 13 3HZ LYS 13 16.789 -6.756 -1.779 124 HZ2 LYS 13 1HZ LYS 13 16.450 -7.303 -3.342 125 HZ3 LYS 13 2HZ LYS 13 17.928 -6.564 -3.004 126 H LEU 14 H LEU 14 11.760 -8.893 -3.523 127 HA LEU 14 HA LEU 14 11.229 -6.393 -4.593 128 HB2 LEU 14 3HB LEU 14 9.215 -8.467 -3.682 129 HB3 LEU 14 2HB LEU 14 10.078 -8.499 -5.205 130 HG LEU 14 HG LEU 14 8.912 -6.182 -5.619 131 HD11 LEU 14 1HD1 LEU 14 8.513 -8.184 -6.946 132 HD12 LEU 14 2HD1 LEU 14 7.000 -7.333 -6.639 133 HD13 LEU 14 3HD1 LEU 14 7.392 -8.791 -5.726 134 HD21 LEU 14 3HD2 LEU 14 6.682 -6.026 -4.598 135 HD22 LEU 14 1HD2 LEU 14 7.955 -5.912 -3.383 136 HD23 LEU 14 2HD2 LEU 14 7.053 -7.415 -3.574 137 H ILE 15 H ILE 15 10.240 -7.698 -1.449 138 HA ILE 15 HA ILE 15 8.767 -5.423 -0.595 139 HB ILE 15 HB ILE 15 10.062 -7.652 0.991 140 HG12 ILE 15 3HG1 ILE 15 8.279 -8.351 -0.576 141 HG13 ILE 15 2HG1 ILE 15 7.178 -7.198 0.169 142 HG21 ILE 15 1HG2 ILE 15 8.621 -6.969 2.861 143 HG22 ILE 15 2HG2 ILE 15 8.087 -5.565 1.934 144 HG23 ILE 15 3HG2 ILE 15 9.775 -5.708 2.427 145 HD11 ILE 15 3HD1 ILE 15 7.313 -8.416 2.274 146 HD12 ILE 15 1HD1 ILE 15 8.424 -9.569 1.536 147 HD13 ILE 15 2HD1 ILE 15 6.762 -9.454 0.959 148 H GLU 16 H GLU 16 12.149 -6.428 -0.081 149 HA GLU 16 HA GLU 16 12.790 -4.378 1.758 150 HB2 GLU 16 3HB GLU 16 15.166 -4.946 1.261 151 HB3 GLU 16 2HB GLU 16 14.608 -5.990 -0.042 152 HG2 GLU 16 3HG GLU 16 15.163 -7.219 2.020 153 HG3 GLU 16 2HG GLU 16 13.489 -7.437 1.514 154 H GLU 17 H GLU 17 13.449 -4.585 -1.764 155 HA GLU 17 HA GLU 17 14.590 -2.041 -2.023 156 HB2 GLU 17 3HB GLU 17 13.608 -2.213 -4.443 157 HB3 GLU 17 2HB GLU 17 13.160 -3.841 -3.954 158 HG2 GLU 17 3HG GLU 17 15.970 -2.765 -3.795 159 HG3 GLU 17 2HG GLU 17 15.332 -3.632 -5.187 160 H ALA 18 H ALA 18 11.197 -3.018 -1.996 161 HA ALA 18 HA ALA 18 10.033 -0.547 -2.632 162 HB1 ALA 18 3HB ALA 18 8.748 -2.632 -2.477 163 HB2 ALA 18 1HB ALA 18 8.041 -1.365 -1.475 164 HB3 ALA 18 2HB ALA 18 8.989 -2.653 -0.731 165 H ARG 19 H ARG 19 11.073 -1.860 0.519 166 HA ARG 19 HA ARG 19 10.348 0.350 2.110 167 HB2 ARG 19 3HB ARG 19 11.881 -0.503 3.775 168 HB3 ARG 19 2HB ARG 19 12.753 -1.434 2.565 169 HG2 ARG 19 3HG ARG 19 10.847 -2.899 2.262 170 HG3 ARG 19 2HG ARG 19 9.899 -1.937 3.398 171 HD2 ARG 19 3HD ARG 19 11.277 -2.563 5.226 172 HD3 ARG 19 2HD ARG 19 12.498 -3.253 4.158 173 HE ARG 19 HE ARG 19 10.934 -5.041 3.664 174 HH11 ARG 19 1HH1 ARG 19 10.306 -3.148 6.481 175 HH12 ARG 19 2HH1 ARG 19 9.351 -4.381 7.225 176 HH21 ARG 19 2HH2 ARG 19 9.015 -6.321 6.199 177 HH22 ARG 19 1HH2 ARG 19 9.720 -6.614 4.645 178 H LYS 20 H LYS 20 13.375 -0.393 0.400 179 HA LYS 20 HA LYS 20 14.911 1.798 1.181 180 HB2 LYS 20 3HB LYS 20 16.219 1.416 -0.869 181 HB3 LYS 20 2HB LYS 20 14.922 0.426 -1.524 182 HG2 LYS 20 3HG LYS 20 15.244 -1.158 0.371 183 HG3 LYS 20 2HG LYS 20 16.636 -0.199 0.878 184 HD2 LYS 20 3HD LYS 20 16.371 -1.471 -1.850 185 HD3 LYS 20 2HD LYS 20 17.207 -2.222 -0.491 186 HE2 LYS 20 3HE LYS 20 17.927 0.462 -1.668 187 HE3 LYS 20 2HE LYS 20 18.728 -1.055 -2.068 188 HZ1 LYS 20 3HZ LYS 20 18.636 0.220 0.612 189 HZ2 LYS 20 1HZ LYS 20 19.978 0.129 -0.413 190 HZ3 LYS 20 2HZ LYS 20 19.346 -1.282 0.277 191 H MET 21 H MET 21 12.723 1.509 -1.625 192 HA MET 21 HA MET 21 13.001 4.106 -2.633 193 HB2 MET 21 3HB MET 21 10.633 3.727 -3.510 194 HB3 MET 21 2HB MET 21 10.676 2.178 -2.680 195 HG2 MET 21 3HG MET 21 11.224 1.882 -5.001 196 HG3 MET 21 2HG MET 21 12.645 1.544 -4.014 197 HE1 MET 21 3HE MET 21 11.230 5.132 -4.751 198 HE2 MET 21 1HE MET 21 10.853 4.276 -6.248 199 HE3 MET 21 2HE MET 21 12.069 5.550 -6.246 200 H ALA 22 H ALA 22 10.733 2.858 -0.188 201 HA ALA 22 HA ALA 22 9.286 5.213 0.245 202 HB1 ALA 22 3HB ALA 22 8.613 3.001 1.102 203 HB2 ALA 22 1HB ALA 22 8.607 4.233 2.364 204 HB3 ALA 22 2HB ALA 22 9.930 3.069 2.274 205 H GLU 23 H GLU 23 12.327 4.099 1.690 206 HA GLU 23 HA GLU 23 12.657 6.121 3.607 207 HB2 GLU 23 3HB GLU 23 15.060 5.558 3.527 208 HB3 GLU 23 2HB GLU 23 14.794 4.647 2.047 209 HG2 GLU 23 3HG GLU 23 14.976 3.161 3.949 210 HG3 GLU 23 2HG GLU 23 13.362 3.079 3.250 211 H LYS 24 H LYS 24 13.714 6.017 0.199 212 HA LYS 24 HA LYS 24 14.907 8.594 0.162 213 HB2 LYS 24 3HB LYS 24 14.373 8.383 -2.394 214 HB3 LYS 24 2HB LYS 24 13.871 6.752 -1.979 215 HG2 LYS 24 3HG LYS 24 16.615 7.920 -1.519 216 HG3 LYS 24 2HG LYS 24 16.164 6.813 -2.815 217 HD2 LYS 24 3HD LYS 24 15.528 5.136 -1.072 218 HD3 LYS 24 2HD LYS 24 16.186 6.230 0.147 219 HE2 LYS 24 3HE LYS 24 17.702 4.951 -2.131 220 HE3 LYS 24 2HE LYS 24 17.832 4.543 -0.421 221 HZ1 LYS 24 3HZ LYS 24 18.672 6.783 -0.002 222 HZ2 LYS 24 1HZ LYS 24 18.591 7.135 -1.655 223 HZ3 LYS 24 2HZ LYS 24 19.654 5.948 -1.093 224 H ALA 25 H ALA 25 11.621 7.483 -0.563 225 HA ALA 25 HA ALA 25 10.701 10.111 -1.351 226 HB1 ALA 25 3HB ALA 25 9.150 7.565 -0.860 227 HB2 ALA 25 1HB ALA 25 9.787 8.111 -2.411 228 HB3 ALA 25 2HB ALA 25 8.516 9.033 -1.607 229 H ASN 26 H ASN 26 11.273 8.701 1.628 230 HA ASN 26 HA ASN 26 10.777 9.256 3.776 231 HB2 ASN 26 3HB ASN 26 9.888 11.552 4.214 232 HB3 ASN 26 2HB ASN 26 9.664 11.759 2.480 233 HD21 ASN 26 2HD2 ASN 26 13.048 12.307 1.789 234 HD22 ASN 26 1HD2 ASN 26 11.508 11.877 1.144 235 H LEU 27 H LEU 27 9.087 7.434 2.799 236 HA LEU 27 HA LEU 27 6.383 8.256 3.686 237 HB2 LEU 27 3HB LEU 27 5.473 6.577 2.154 238 HB3 LEU 27 2HB LEU 27 7.093 6.114 1.670 239 HG LEU 27 HG LEU 27 7.426 8.333 0.650 240 HD11 LEU 27 1HD1 LEU 27 4.931 6.916 -0.285 241 HD12 LEU 27 2HD1 LEU 27 6.591 6.518 -0.729 242 HD13 LEU 27 3HD1 LEU 27 5.888 8.052 -1.238 243 HD21 LEU 27 3HD2 LEU 27 4.547 8.834 1.415 244 HD22 LEU 27 1HD2 LEU 27 5.540 9.874 0.394 245 HD23 LEU 27 2HD2 LEU 27 5.957 9.650 2.092 246 H GLU 28 H GLU 28 5.164 6.785 4.937 247 HA GLU 28 HA GLU 28 6.688 4.798 6.416 248 HB2 GLU 28 3HB GLU 28 4.532 4.491 7.679 249 HB3 GLU 28 2HB GLU 28 3.815 5.723 6.650 250 HG2 GLU 28 3HG GLU 28 5.390 7.377 7.489 251 HG3 GLU 28 2HG GLU 28 6.174 6.147 8.480 252 H LEU 29 H LEU 29 7.004 2.880 5.424 253 HA LEU 29 HA LEU 29 4.823 1.717 3.828 254 HB2 LEU 29 3HB LEU 29 7.728 0.879 3.992 255 HB3 LEU 29 2HB LEU 29 7.071 1.972 2.793 256 HG LEU 29 HG LEU 29 5.490 -0.059 2.214 257 HD11 LEU 29 1HD1 LEU 29 7.120 0.906 0.684 258 HD12 LEU 29 2HD1 LEU 29 7.134 -0.854 0.580 259 HD13 LEU 29 3HD1 LEU 29 8.413 -0.011 1.456 260 HD21 LEU 29 3HD2 LEU 29 6.606 -2.235 2.526 261 HD22 LEU 29 1HD2 LEU 29 6.153 -1.499 4.065 262 HD23 LEU 29 2HD2 LEU 29 7.831 -1.455 3.527 263 H ARG 30 H ARG 30 3.552 0.263 4.778 264 HA ARG 30 HA ARG 30 4.627 -1.382 6.987 265 HB2 ARG 30 3HB ARG 30 2.362 -1.546 7.851 266 HB3 ARG 30 2HB ARG 30 1.726 -0.700 6.449 267 HG2 ARG 30 3HG ARG 30 1.806 0.766 8.385 268 HG3 ARG 30 2HG ARG 30 2.902 1.333 7.124 269 HD2 ARG 30 3HD ARG 30 4.782 0.232 8.331 270 HD3 ARG 30 2HD ARG 30 3.661 -0.172 9.631 271 HE ARG 30 HE ARG 30 3.421 2.538 9.309 272 HH11 ARG 30 1HH1 ARG 30 5.986 0.361 10.064 273 HH12 ARG 30 2HH1 ARG 30 6.892 1.563 10.919 274 HH21 ARG 30 2HH2 ARG 30 6.109 3.624 11.124 275 HH22 ARG 30 1HH2 ARG 30 4.596 4.069 10.412 276 H THR 31 H THR 31 4.499 -3.588 6.848 277 HA THR 31 HA THR 31 3.837 -4.667 4.218 278 HB THR 31 HB THR 31 4.931 -6.746 5.008 279 HG1 THR 31 HG1 THR 31 4.392 -6.142 7.345 280 HG21 THR 31 3HG2 THR 31 6.554 -4.237 5.470 281 HG22 THR 31 1HG2 THR 31 6.270 -5.012 3.912 282 HG23 THR 31 2HG2 THR 31 7.211 -5.843 5.151 283 H VAL 32 H VAL 32 1.867 -5.412 3.829 284 HA VAL 32 HA VAL 32 0.157 -6.378 5.995 285 HB VAL 32 HB VAL 32 -0.427 -5.866 3.070 286 HG11 VAL 32 1HG1 VAL 32 -1.843 -7.677 3.928 287 HG12 VAL 32 2HG1 VAL 32 -2.784 -6.221 3.614 288 HG13 VAL 32 3HG1 VAL 32 -2.349 -6.646 5.268 289 HG21 VAL 32 3HG2 VAL 32 -0.055 -3.828 4.357 290 HG22 VAL 32 1HG2 VAL 32 -1.242 -4.352 5.555 291 HG23 VAL 32 2HG2 VAL 32 -1.756 -3.977 3.909 292 H LYS 33 H LYS 33 -0.354 -8.480 6.316 293 HA LYS 33 HA LYS 33 1.029 -10.456 4.634 294 HB2 LYS 33 3HB LYS 33 1.006 -11.907 6.538 295 HB3 LYS 33 2HB LYS 33 -0.171 -10.899 7.374 296 HG2 LYS 33 3HG LYS 33 1.514 -9.090 7.492 297 HG3 LYS 33 2HG LYS 33 2.694 -10.177 6.758 298 HD2 LYS 33 3HD LYS 33 2.586 -11.672 8.636 299 HD3 LYS 33 2HD LYS 33 1.239 -10.772 9.338 300 HE2 LYS 33 3HE LYS 33 4.043 -9.723 8.932 301 HE3 LYS 33 2HE LYS 33 3.351 -10.254 10.464 302 HZ1 LYS 33 3HZ LYS 33 2.357 -7.974 8.835 303 HZ2 LYS 33 1HZ LYS 33 3.279 -7.846 10.246 304 HZ3 LYS 33 2HZ LYS 33 1.713 -8.485 10.309 305 H THR 34 H THR 34 -2.183 -9.641 5.848 306 HA THR 34 HA THR 34 -3.401 -11.670 4.103 307 HB THR 34 HB THR 34 -4.879 -12.517 5.835 308 HG1 THR 34 HG1 THR 34 -4.187 -11.775 8.109 309 HG21 THR 34 3HG2 THR 34 -2.015 -12.567 6.806 310 HG22 THR 34 1HG2 THR 34 -2.727 -13.671 5.631 311 HG23 THR 34 2HG2 THR 34 -3.288 -13.682 7.304 312 H GLU 35 H GLU 35 -5.860 -11.481 4.197 313 HA GLU 35 HA GLU 35 -6.932 -8.996 3.608 314 HB2 GLU 35 3HB GLU 35 -8.141 -11.542 4.697 315 HB3 GLU 35 2HB GLU 35 -8.130 -10.978 3.036 316 HG2 GLU 35 3HG GLU 35 -9.653 -9.578 5.220 317 HG3 GLU 35 2HG GLU 35 -10.335 -10.875 4.250 318 H ASP 36 H ASP 36 -6.807 -10.658 6.754 319 HA ASP 36 HA ASP 36 -8.237 -8.739 8.242 320 HB2 ASP 36 3HB ASP 36 -6.059 -10.590 9.254 321 HB3 ASP 36 2HB ASP 36 -7.734 -11.071 9.002 322 H GLU 37 H GLU 37 -4.747 -9.128 7.664 323 HA GLU 37 HA GLU 37 -3.774 -7.030 9.226 324 HB2 GLU 37 3HB GLU 37 -1.866 -6.983 7.560 325 HB3 GLU 37 2HB GLU 37 -2.768 -8.152 6.606 326 HG2 GLU 37 3HG GLU 37 -1.226 -9.414 7.825 327 HG3 GLU 37 2HG GLU 37 -2.761 -9.634 8.663 328 H LEU 38 H LEU 38 -4.726 -6.951 5.784 329 HA LEU 38 HA LEU 38 -4.232 -4.280 5.217 330 HB2 LEU 38 3HB LEU 38 -6.688 -5.684 4.175 331 HB3 LEU 38 2HB LEU 38 -5.095 -6.250 3.726 332 HG LEU 38 HG LEU 38 -5.965 -4.862 1.960 333 HD11 LEU 38 1HD1 LEU 38 -7.569 -3.547 3.239 334 HD12 LEU 38 2HD1 LEU 38 -6.528 -2.519 2.254 335 HD13 LEU 38 3HD1 LEU 38 -6.246 -2.654 3.990 336 HD21 LEU 38 3HD2 LEU 38 -4.197 -3.176 1.791 337 HD22 LEU 38 1HD2 LEU 38 -3.574 -4.725 2.361 338 HD23 LEU 38 2HD2 LEU 38 -3.818 -3.401 3.499 339 H LYS 39 H LYS 39 -7.303 -5.694 6.351 340 HA LYS 39 HA LYS 39 -8.753 -3.374 6.842 341 HB2 LYS 39 3HB LYS 39 -8.743 -6.033 8.281 342 HB3 LYS 39 2HB LYS 39 -9.783 -5.553 6.949 343 HG2 LYS 39 3HG LYS 39 -11.077 -4.144 8.301 344 HG3 LYS 39 2HG LYS 39 -9.858 -4.098 9.577 345 HD2 LYS 39 3HD LYS 39 -11.496 -6.518 8.795 346 HD3 LYS 39 2HD LYS 39 -11.769 -5.504 10.215 347 HE2 LYS 39 3HE LYS 39 -9.545 -6.101 11.069 348 HE3 LYS 39 2HE LYS 39 -9.272 -7.117 9.655 349 HZ1 LYS 39 3HZ LYS 39 -9.947 -8.512 11.417 350 HZ2 LYS 39 1HZ LYS 39 -11.258 -8.413 10.358 351 HZ3 LYS 39 2HZ LYS 39 -11.272 -7.536 11.801 352 H LYS 40 H LYS 40 -6.640 -5.147 9.085 353 HA LYS 40 HA LYS 40 -7.166 -3.650 11.386 354 HB2 LYS 40 3HB LYS 40 -4.647 -5.179 10.696 355 HB3 LYS 40 2HB LYS 40 -6.116 -5.892 11.349 356 HG2 LYS 40 3HG LYS 40 -5.854 -4.454 13.360 357 HG3 LYS 40 2HG LYS 40 -4.305 -3.906 12.713 358 HD2 LYS 40 3HD LYS 40 -3.393 -6.125 12.822 359 HD3 LYS 40 2HD LYS 40 -4.968 -6.805 13.244 360 HE2 LYS 40 3HE LYS 40 -3.328 -4.912 14.932 361 HE3 LYS 40 2HE LYS 40 -3.569 -6.634 15.224 362 HZ1 LYS 40 3HZ LYS 40 -5.955 -6.194 15.471 363 HZ2 LYS 40 1HZ LYS 40 -5.672 -4.537 15.279 364 HZ3 LYS 40 2HZ LYS 40 -5.035 -5.359 16.613 365 H TYR 41 H TYR 41 -4.674 -3.223 8.908 366 HA TYR 41 HA TYR 41 -3.358 -1.066 10.250 367 HB2 TYR 41 3HB TYR 41 -2.236 -0.696 8.050 368 HB3 TYR 41 2HB TYR 41 -3.292 -1.913 7.339 369 HD1 TYR 41 HD1 TYR 41 -2.802 -3.227 10.454 370 HD2 TYR 41 HD2 TYR 41 -0.560 -2.414 6.923 371 HE1 TYR 41 HE1 TYR 41 -1.202 -4.979 11.075 372 HE2 TYR 41 HE2 TYR 41 1.046 -4.171 7.540 373 HH TYR 41 HH TYR 41 0.423 -6.445 10.012 374 H LEU 42 H LEU 42 -5.943 -1.279 7.853 375 HA LEU 42 HA LEU 42 -6.205 1.466 7.282 376 HB2 LEU 42 3HB LEU 42 -8.609 0.871 6.751 377 HB3 LEU 42 2HB LEU 42 -8.245 -0.757 7.285 378 HG LEU 42 HG LEU 42 -6.613 -1.015 5.485 379 HD11 LEU 42 1HD1 LEU 42 -8.930 -1.612 5.037 380 HD12 LEU 42 2HD1 LEU 42 -8.157 -0.976 3.585 381 HD13 LEU 42 3HD1 LEU 42 -9.268 0.038 4.507 382 HD21 LEU 42 3HD2 LEU 42 -6.369 0.713 3.749 383 HD22 LEU 42 1HD2 LEU 42 -5.811 1.277 5.323 384 HD23 LEU 42 2HD2 LEU 42 -7.375 1.804 4.703 385 H GLU 43 H GLU 43 -7.384 -0.472 9.986 386 HA GLU 43 HA GLU 43 -9.182 1.335 11.130 387 HB2 GLU 43 3HB GLU 43 -8.665 0.220 13.295 388 HB3 GLU 43 2HB GLU 43 -7.301 -0.585 12.531 389 HG2 GLU 43 3HG GLU 43 -8.752 -1.829 11.089 390 HG3 GLU 43 2HG GLU 43 -10.157 -0.917 11.635 391 H GLU 44 H GLU 44 -5.662 1.112 11.491 392 HA GLU 44 HA GLU 44 -5.346 3.267 13.304 393 HB2 GLU 44 3HB GLU 44 -3.402 2.139 11.270 394 HB3 GLU 44 2HB GLU 44 -3.612 1.560 12.915 395 HG2 GLU 44 3HG GLU 44 -2.724 4.362 12.260 396 HG3 GLU 44 2HG GLU 44 -1.606 3.022 12.495 397 H PHE 45 H PHE 45 -5.399 3.082 9.784 398 HA PHE 45 HA PHE 45 -4.561 5.770 9.325 399 HB2 PHE 45 3HB PHE 45 -5.240 5.325 6.984 400 HB3 PHE 45 2HB PHE 45 -5.989 3.820 7.500 401 HD1 PHE 45 HD1 PHE 45 -4.655 2.406 6.095 402 HD2 PHE 45 HD2 PHE 45 -2.807 5.038 8.886 403 HE1 PHE 45 HE1 PHE 45 -2.521 1.223 5.795 404 HE2 PHE 45 HE2 PHE 45 -0.673 3.858 8.588 405 HZ PHE 45 HZ PHE 45 -0.525 1.947 7.042 406 H ARG 46 H ARG 46 -7.661 4.289 9.908 407 HA ARG 46 HA ARG 46 -9.384 6.219 8.837 408 HB2 ARG 46 3HB ARG 46 -10.938 5.342 10.762 409 HB3 ARG 46 2HB ARG 46 -9.632 4.196 11.036 410 HG2 ARG 46 3HG ARG 46 -9.846 3.734 8.481 411 HG3 ARG 46 2HG ARG 46 -11.432 4.485 8.658 412 HD2 ARG 46 3HD ARG 46 -10.397 1.988 9.977 413 HD3 ARG 46 2HD ARG 46 -11.768 2.157 8.885 414 HE ARG 46 HE ARG 46 -12.248 3.697 11.183 415 HH11 ARG 46 1HH1 ARG 46 -12.085 0.406 10.160 416 HH12 ARG 46 2HH1 ARG 46 -13.085 -0.156 11.452 417 HH21 ARG 46 2HH2 ARG 46 -13.931 1.276 12.920 418 HH22 ARG 46 1HH2 ARG 46 -13.553 2.961 12.818 419 H LYS 47 H LYS 47 -7.380 6.419 11.636 420 HA LYS 47 HA LYS 47 -8.725 8.357 13.161 421 HB2 LYS 47 3HB LYS 47 -6.486 8.908 14.072 422 HB3 LYS 47 2HB LYS 47 -5.747 7.950 12.795 423 HG2 LYS 47 3HG LYS 47 -6.962 5.957 13.676 424 HG3 LYS 47 2HG LYS 47 -7.509 6.951 15.029 425 HD2 LYS 47 3HD LYS 47 -4.634 6.347 14.316 426 HD3 LYS 47 2HD LYS 47 -5.546 5.636 15.646 427 HE2 LYS 47 3HE LYS 47 -4.829 8.551 15.340 428 HE3 LYS 47 2HE LYS 47 -4.088 7.406 16.456 429 HZ1 LYS 47 3HZ LYS 47 -6.888 8.384 16.506 430 HZ2 LYS 47 1HZ LYS 47 -5.676 8.692 17.643 431 HZ3 LYS 47 2HZ LYS 47 -6.311 7.132 17.484 432 H GLU 48 H GLU 48 -6.659 8.691 10.323 433 HA GLU 48 HA GLU 48 -6.944 11.642 10.440 434 HB2 GLU 48 3HB GLU 48 -4.807 11.781 9.273 435 HB3 GLU 48 2HB GLU 48 -4.741 10.031 9.118 436 HG2 GLU 48 3HG GLU 48 -3.242 10.686 10.850 437 HG3 GLU 48 2HG GLU 48 -4.609 9.856 11.588 438 H SER 49 H SER 49 -8.855 9.826 9.219 439 HA SER 49 HA SER 49 -8.574 9.296 6.515 440 HB2 SER 49 3HB SER 49 -10.437 8.444 7.861 441 HB3 SER 49 2HB SER 49 -11.043 9.257 6.418 442 HG SER 49 HG SER 49 -12.040 9.756 8.582 443 H GLN 50 H GLN 50 -8.831 12.390 7.916 444 HA GLN 50 HA GLN 50 -10.301 13.748 5.908 445 HB2 GLN 50 3HB GLN 50 -9.640 15.765 7.039 446 HB3 GLN 50 2HB GLN 50 -8.298 14.943 7.828 447 HG2 GLN 50 3HG GLN 50 -10.077 15.261 9.405 448 HG3 GLN 50 2HG GLN 50 -9.895 13.549 9.068 449 HE21 GLN 50 2HE2 GLN 50 -13.093 13.128 7.741 450 HE22 GLN 50 1HE2 GLN 50 -11.527 12.446 7.989 451 H ASN 51 H ASN 51 -6.776 13.424 6.451 452 HA ASN 51 HA ASN 51 -6.331 14.643 3.783 453 HB2 ASN 51 3HB ASN 51 -4.346 15.759 4.637 454 HB3 ASN 51 2HB ASN 51 -4.560 15.008 6.214 455 HD21 ASN 51 2HD2 ASN 51 -6.885 17.324 7.354 456 HD22 ASN 51 1HD2 ASN 51 -6.089 15.815 7.622 457 H ILE 52 H ILE 52 -6.396 11.752 4.712 458 HA ILE 52 HA ILE 52 -3.562 11.023 4.566 459 HB ILE 52 HB ILE 52 -5.005 10.107 6.390 460 HG12 ILE 52 3HG1 ILE 52 -2.873 9.040 5.630 461 HG13 ILE 52 2HG1 ILE 52 -3.814 7.997 4.568 462 HG21 ILE 52 1HG2 ILE 52 -6.254 8.510 4.147 463 HG22 ILE 52 2HG2 ILE 52 -7.055 9.739 5.127 464 HG23 ILE 52 3HG2 ILE 52 -6.513 8.235 5.871 465 HD11 ILE 52 3HD1 ILE 52 -3.988 8.085 7.568 466 HD12 ILE 52 1HD1 ILE 52 -3.209 6.838 6.595 467 HD13 ILE 52 2HD1 ILE 52 -4.957 7.059 6.511 468 H LYS 53 H LYS 53 -2.724 9.496 3.162 469 HA LYS 53 HA LYS 53 -4.393 8.597 0.905 470 HB2 LYS 53 3HB LYS 53 -2.308 8.890 -0.528 471 HB3 LYS 53 2HB LYS 53 -1.629 9.820 0.800 472 HG2 LYS 53 3HG LYS 53 -2.480 11.559 -0.352 473 HG3 LYS 53 2HG LYS 53 -3.963 11.121 0.501 474 HD2 LYS 53 3HD LYS 53 -3.197 10.236 -2.283 475 HD3 LYS 53 2HD LYS 53 -4.384 11.474 -1.881 476 HE2 LYS 53 3HE LYS 53 -4.572 8.550 -1.159 477 HE3 LYS 53 2HE LYS 53 -5.462 9.361 -2.448 478 HZ1 LYS 53 3HZ LYS 53 -6.528 10.753 -0.788 479 HZ2 LYS 53 1HZ LYS 53 -5.702 9.952 0.454 480 HZ3 LYS 53 2HZ LYS 53 -6.828 9.118 -0.498 481 H VAL 54 H VAL 54 -4.322 6.430 0.661 482 HA VAL 54 HA VAL 54 -2.016 4.975 1.802 483 HB VAL 54 HB VAL 54 -4.846 3.957 1.471 484 HG11 VAL 54 1HG1 VAL 54 -3.177 2.180 1.295 485 HG12 VAL 54 2HG1 VAL 54 -4.089 2.037 2.797 486 HG13 VAL 54 3HG1 VAL 54 -2.451 2.694 2.818 487 HG21 VAL 54 3HG2 VAL 54 -4.972 4.068 3.928 488 HG22 VAL 54 1HG2 VAL 54 -4.735 5.661 3.212 489 HG23 VAL 54 2HG2 VAL 54 -3.379 4.826 3.971 490 H LEU 55 H LEU 55 -0.709 4.225 0.269 491 HA LEU 55 HA LEU 55 -1.764 3.401 -2.350 492 HB2 LEU 55 3HB LEU 55 1.083 3.723 -1.371 493 HB3 LEU 55 2HB LEU 55 0.184 4.911 -2.297 494 HG LEU 55 HG LEU 55 0.793 2.145 -3.350 495 HD11 LEU 55 1HD1 LEU 55 -1.031 3.290 -4.471 496 HD12 LEU 55 2HD1 LEU 55 0.373 3.182 -5.531 497 HD13 LEU 55 3HD1 LEU 55 -0.013 4.707 -4.731 498 HD21 LEU 55 3HD2 LEU 55 2.912 3.217 -2.853 499 HD22 LEU 55 1HD2 LEU 55 2.408 4.667 -3.719 500 HD23 LEU 55 2HD2 LEU 55 2.653 3.157 -4.595 501 H ILE 56 H ILE 56 -2.363 1.286 -2.488 502 HA ILE 56 HA ILE 56 -0.942 -0.683 -0.807 503 HB ILE 56 HB ILE 56 -3.661 -0.966 -2.109 504 HG12 ILE 56 3HG1 ILE 56 -3.624 0.763 -0.327 505 HG13 ILE 56 2HG1 ILE 56 -2.956 -0.419 0.792 506 HG21 ILE 56 1HG2 ILE 56 -2.256 -2.707 -0.073 507 HG22 ILE 56 2HG2 ILE 56 -2.518 -3.103 -1.773 508 HG23 ILE 56 3HG2 ILE 56 -3.894 -2.945 -0.682 509 HD11 ILE 56 3HD1 ILE 56 -5.327 -0.115 1.160 510 HD12 ILE 56 1HD1 ILE 56 -4.991 -1.753 0.604 511 HD13 ILE 56 2HD1 ILE 56 -5.663 -0.564 -0.513 512 H LEU 57 H LEU 57 0.466 -1.976 -1.812 513 HA LEU 57 HA LEU 57 0.190 -2.475 -4.703 514 HB2 LEU 57 3HB LEU 57 2.577 -3.269 -4.535 515 HB3 LEU 57 2HB LEU 57 2.577 -2.746 -2.863 516 HG LEU 57 HG LEU 57 3.679 -1.161 -4.446 517 HD11 LEU 57 1HD1 LEU 57 0.881 -0.748 -5.491 518 HD12 LEU 57 2HD1 LEU 57 2.231 -1.466 -6.371 519 HD13 LEU 57 3HD1 LEU 57 2.291 0.232 -5.897 520 HD21 LEU 57 3HD2 LEU 57 2.821 -0.385 -2.289 521 HD22 LEU 57 1HD2 LEU 57 1.256 -0.050 -3.032 522 HD23 LEU 57 2HD2 LEU 57 2.682 0.862 -3.530 523 H VAL 58 H VAL 58 -0.510 -4.412 -5.358 524 HA VAL 58 HA VAL 58 -0.311 -6.709 -3.495 525 HB VAL 58 HB VAL 58 -2.423 -7.544 -4.392 526 HG11 VAL 58 1HG1 VAL 58 -3.938 -5.857 -3.442 527 HG12 VAL 58 2HG1 VAL 58 -2.627 -4.677 -3.456 528 HG13 VAL 58 3HG1 VAL 58 -2.515 -6.105 -2.428 529 HG21 VAL 58 3HG2 VAL 58 -2.459 -5.009 -6.040 530 HG22 VAL 58 1HG2 VAL 58 -3.798 -6.149 -5.890 531 HG23 VAL 58 2HG2 VAL 58 -2.292 -6.656 -6.649 532 H SER 59 H SER 59 -0.254 -8.860 -4.521 533 HA SER 59 HA SER 59 1.273 -8.813 -7.019 534 HB2 SER 59 3HB SER 59 0.754 -11.080 -5.079 535 HB3 SER 59 2HB SER 59 2.221 -10.110 -5.186 536 HG SER 59 HG SER 59 2.574 -10.963 -7.261 537 H ASN 60 H ASN 60 -1.787 -10.107 -5.774 538 HA ASN 60 HA ASN 60 -2.427 -11.126 -8.477 539 HB2 ASN 60 3HB ASN 60 -4.132 -12.513 -7.432 540 HB3 ASN 60 2HB ASN 60 -3.838 -11.763 -5.871 541 HD21 ASN 60 2HD2 ASN 60 -1.818 -14.469 -5.133 542 HD22 ASN 60 1HD2 ASN 60 -3.255 -13.570 -4.792 543 H ASP 61 H ASP 61 -4.538 -10.722 -9.360 544 HA ASP 61 HA ASP 61 -5.515 -8.080 -8.979 545 HB2 ASP 61 3HB ASP 61 -7.279 -8.751 -10.589 546 HB3 ASP 61 2HB ASP 61 -6.746 -10.425 -10.454 547 H GLU 62 H GLU 62 -6.425 -11.192 -7.659 548 HA GLU 62 HA GLU 62 -8.932 -10.488 -6.575 549 HB2 GLU 62 3HB GLU 62 -8.523 -12.347 -4.952 550 HB3 GLU 62 2HB GLU 62 -6.884 -12.480 -5.579 551 HG2 GLU 62 3HG GLU 62 -7.758 -13.054 -7.780 552 HG3 GLU 62 2HG GLU 62 -9.406 -12.883 -7.181 553 H GLU 63 H GLU 63 -5.671 -10.354 -5.095 554 HA GLU 63 HA GLU 63 -6.480 -9.229 -2.640 555 HB2 GLU 63 3HB GLU 63 -4.260 -9.015 -2.124 556 HB3 GLU 63 2HB GLU 63 -3.853 -8.318 -3.679 557 HG2 GLU 63 3HG GLU 63 -2.752 -10.465 -3.276 558 HG3 GLU 63 2HG GLU 63 -3.773 -10.467 -4.707 559 H LEU 64 H LEU 64 -5.582 -7.759 -5.719 560 HA LEU 64 HA LEU 64 -5.678 -5.051 -5.163 561 HB2 LEU 64 3HB LEU 64 -6.785 -6.516 -7.570 562 HB3 LEU 64 2HB LEU 64 -5.114 -6.036 -7.354 563 HG LEU 64 HG LEU 64 -7.358 -4.017 -7.467 564 HD11 LEU 64 1HD1 LEU 64 -5.278 -3.212 -6.527 565 HD12 LEU 64 2HD1 LEU 64 -5.545 -2.493 -8.112 566 HD13 LEU 64 3HD1 LEU 64 -4.382 -3.807 -7.924 567 HD21 LEU 64 3HD2 LEU 64 -6.844 -3.698 -9.832 568 HD22 LEU 64 1HD2 LEU 64 -7.432 -5.333 -9.525 569 HD23 LEU 64 2HD2 LEU 64 -5.709 -5.048 -9.779 570 H ASP 65 H ASP 65 -8.383 -7.148 -6.108 571 HA ASP 65 HA ASP 65 -10.443 -5.270 -5.837 572 HB2 ASP 65 3HB ASP 65 -10.641 -8.270 -5.452 573 HB3 ASP 65 2HB ASP 65 -10.606 -7.467 -7.019 574 H LYS 66 H LYS 66 -9.366 -7.774 -3.516 575 HA LYS 66 HA LYS 66 -11.175 -7.188 -1.470 576 HB2 LYS 66 3HB LYS 66 -9.560 -8.322 0.039 577 HB3 LYS 66 2HB LYS 66 -8.365 -8.283 -1.249 578 HG2 LYS 66 3HG LYS 66 -9.407 -10.474 -1.068 579 HG3 LYS 66 2HG LYS 66 -9.756 -9.723 -2.624 580 HD2 LYS 66 3HD LYS 66 -11.742 -10.799 -1.796 581 HD3 LYS 66 2HD LYS 66 -11.983 -9.053 -1.780 582 HE2 LYS 66 3HE LYS 66 -11.125 -10.602 0.658 583 HE3 LYS 66 2HE LYS 66 -12.816 -10.338 0.246 584 HZ1 LYS 66 3HZ LYS 66 -10.801 -8.246 0.853 585 HZ2 LYS 66 1HZ LYS 66 -12.111 -8.699 1.814 586 HZ3 LYS 66 2HZ LYS 66 -12.383 -7.928 0.335 587 H ALA 67 H ALA 67 -7.944 -5.843 -2.042 588 HA ALA 67 HA ALA 67 -7.612 -4.411 0.318 589 HB1 ALA 67 3HB ALA 67 -5.830 -4.759 -1.324 590 HB2 ALA 67 1HB ALA 67 -5.997 -3.054 -0.907 591 HB3 ALA 67 2HB ALA 67 -6.637 -3.655 -2.437 592 H LYS 68 H LYS 68 -8.901 -3.158 -2.802 593 HA LYS 68 HA LYS 68 -9.669 -0.657 -1.652 594 HB2 LYS 68 3HB LYS 68 -9.226 -1.087 -4.116 595 HB3 LYS 68 2HB LYS 68 -10.638 -0.111 -3.739 596 HG2 LYS 68 3HG LYS 68 -12.099 -2.011 -4.129 597 HG3 LYS 68 2HG LYS 68 -10.700 -3.043 -4.441 598 HD2 LYS 68 3HD LYS 68 -10.170 -1.910 -6.444 599 HD3 LYS 68 2HD LYS 68 -11.218 -0.546 -6.046 600 HE2 LYS 68 3HE LYS 68 -12.189 -1.971 -7.792 601 HE3 LYS 68 2HE LYS 68 -13.192 -1.927 -6.341 602 HZ1 LYS 68 3HZ LYS 68 -12.993 -4.163 -7.235 603 HZ2 LYS 68 1HZ LYS 68 -12.310 -4.066 -5.691 604 HZ3 LYS 68 2HZ LYS 68 -11.315 -4.111 -7.062 605 H GLU 69 H GLU 69 -11.291 -3.732 -2.100 606 HA GLU 69 HA GLU 69 -13.946 -3.025 -1.656 607 HB2 GLU 69 3HB GLU 69 -12.598 -5.575 -0.756 608 HB3 GLU 69 2HB GLU 69 -12.921 -5.217 -2.443 609 HG2 GLU 69 3HG GLU 69 -14.747 -6.417 -2.054 610 HG3 GLU 69 2HG GLU 69 -15.384 -4.879 -1.484 611 H LEU 70 H LEU 70 -11.433 -3.954 0.709 612 HA LEU 70 HA LEU 70 -12.990 -3.655 3.037 613 HB2 LEU 70 3HB LEU 70 -10.687 -3.158 4.109 614 HB3 LEU 70 2HB LEU 70 -10.036 -3.439 2.506 615 HG LEU 70 HG LEU 70 -11.017 -5.741 2.559 616 HD11 LEU 70 1HD1 LEU 70 -9.146 -5.066 4.833 617 HD12 LEU 70 2HD1 LEU 70 -8.682 -5.383 3.162 618 HD13 LEU 70 3HD1 LEU 70 -9.391 -6.668 4.137 619 HD21 LEU 70 3HD2 LEU 70 -12.832 -5.358 4.125 620 HD22 LEU 70 1HD2 LEU 70 -11.680 -5.000 5.413 621 HD23 LEU 70 2HD2 LEU 70 -11.769 -6.626 4.732 622 H ALA 71 H ALA 71 -10.932 -1.302 1.330 623 HA ALA 71 HA ALA 71 -11.233 0.853 3.097 624 HB1 ALA 71 3HB ALA 71 -10.500 2.258 1.243 625 HB2 ALA 71 1HB ALA 71 -10.814 0.943 0.110 626 HB3 ALA 71 2HB ALA 71 -9.547 0.776 1.326 627 H GLN 72 H GLN 72 -13.160 -0.020 0.231 628 HA GLN 72 HA GLN 72 -14.921 2.164 0.247 629 HB2 GLN 72 3HB GLN 72 -16.452 0.681 -1.050 630 HB3 GLN 72 2HB GLN 72 -15.398 -0.679 -0.684 631 HG2 GLN 72 3HG GLN 72 -13.557 0.467 -1.867 632 HG3 GLN 72 2HG GLN 72 -14.669 1.765 -2.289 633 HE21 GLN 72 2HE2 GLN 72 -15.825 -1.762 -3.926 634 HE22 GLN 72 1HE2 GLN 72 -15.621 -1.597 -2.223 635 H LYS 73 H LYS 73 -15.052 -0.904 2.032 636 HA LYS 73 HA LYS 73 -17.672 -0.554 3.056 637 HB2 LYS 73 3HB LYS 73 -16.981 -2.241 4.793 638 HB3 LYS 73 2HB LYS 73 -15.363 -2.197 4.108 639 HG2 LYS 73 3HG LYS 73 -16.029 -3.237 2.131 640 HG3 LYS 73 2HG LYS 73 -17.728 -2.829 2.377 641 HD2 LYS 73 3HD LYS 73 -17.448 -5.184 2.776 642 HD3 LYS 73 2HD LYS 73 -17.781 -4.389 4.314 643 HE2 LYS 73 3HE LYS 73 -16.049 -5.972 4.699 644 HE3 LYS 73 2HE LYS 73 -15.312 -4.372 4.751 645 HZ1 LYS 73 3HZ LYS 73 -14.467 -4.685 2.544 646 HZ2 LYS 73 1HZ LYS 73 -15.280 -6.158 2.380 647 HZ3 LYS 73 2HZ LYS 73 -14.013 -6.018 3.484 648 H MET 74 H MET 74 -14.500 0.404 4.351 649 HA MET 74 HA MET 74 -15.817 1.574 6.707 650 HB2 MET 74 3HB MET 74 -13.422 1.962 7.474 651 HB3 MET 74 2HB MET 74 -12.914 1.052 6.057 652 HG2 MET 74 3HG MET 74 -14.133 -0.900 6.852 653 HG3 MET 74 2HG MET 74 -14.689 0.006 8.258 654 HE1 MET 74 3HE MET 74 -11.663 -1.708 6.478 655 HE2 MET 74 1HE MET 74 -10.306 -1.227 7.499 656 HE3 MET 74 2HE MET 74 -11.133 -0.025 6.511 657 H GLU 75 H GLU 75 -15.266 2.620 3.696 658 HA GLU 75 HA GLU 75 -15.155 4.633 2.663 659 HB2 GLU 75 3HB GLU 75 -15.817 6.661 3.927 660 HB3 GLU 75 2HB GLU 75 -15.742 5.734 5.421 661 HG2 GLU 75 3HG GLU 75 -17.556 4.308 4.666 662 HG3 GLU 75 2HG GLU 75 -17.600 5.151 3.117 663 H ILE 76 H ILE 76 -12.844 4.071 2.403 664 HA ILE 76 HA ILE 76 -11.130 6.124 3.656 665 HB ILE 76 HB ILE 76 -10.280 3.269 3.095 666 HG12 ILE 76 3HG1 ILE 76 -11.819 3.453 5.032 667 HG13 ILE 76 2HG1 ILE 76 -10.757 4.657 5.751 668 HG21 ILE 76 1HG2 ILE 76 -8.781 5.527 4.437 669 HG22 ILE 76 2HG2 ILE 76 -8.475 4.911 2.811 670 HG23 ILE 76 3HG2 ILE 76 -8.196 3.877 4.214 671 HD11 ILE 76 3HD1 ILE 76 -10.449 2.483 6.769 672 HD12 ILE 76 1HD1 ILE 76 -8.985 3.000 5.933 673 HD13 ILE 76 2HD1 ILE 76 -10.041 1.792 5.198 674 H ASP 77 H ASP 77 -9.935 7.292 2.255 675 HA ASP 77 HA ASP 77 -10.238 6.838 -0.578 676 HB2 ASP 77 3HB ASP 77 -8.522 8.952 0.748 677 HB3 ASP 77 2HB ASP 77 -10.272 9.103 0.608 678 H VAL 78 H VAL 78 -9.084 5.023 -1.169 679 HA VAL 78 HA VAL 78 -6.170 5.008 -0.644 680 HB VAL 78 HB VAL 78 -6.205 2.585 -0.861 681 HG11 VAL 78 1HG1 VAL 78 -6.566 3.496 1.364 682 HG12 VAL 78 2HG1 VAL 78 -7.491 2.012 1.160 683 HG13 VAL 78 3HG1 VAL 78 -8.305 3.575 1.078 684 HG21 VAL 78 3HG2 VAL 78 -9.192 2.852 -1.277 685 HG22 VAL 78 1HG2 VAL 78 -8.313 1.335 -1.075 686 HG23 VAL 78 2HG2 VAL 78 -8.010 2.347 -2.486 687 H ARG 79 H ARG 79 -4.843 3.914 -2.303 688 HA ARG 79 HA ARG 79 -5.981 3.910 -5.017 689 HB2 ARG 79 3HB ARG 79 -3.296 5.125 -4.300 690 HB3 ARG 79 2HB ARG 79 -4.753 6.049 -4.635 691 HG2 ARG 79 3HG ARG 79 -4.795 5.059 -6.920 692 HG3 ARG 79 2HG ARG 79 -3.244 4.293 -6.568 693 HD2 ARG 79 3HD ARG 79 -2.242 6.498 -6.183 694 HD3 ARG 79 2HD ARG 79 -3.790 7.263 -6.529 695 HE ARG 79 HE ARG 79 -2.755 5.600 -8.654 696 HH11 ARG 79 1HH1 ARG 79 -3.015 8.770 -7.332 697 HH12 ARG 79 2HH1 ARG 79 -2.538 9.549 -8.803 698 HH21 ARG 79 2HH2 ARG 79 -2.027 8.326 -10.607 699 HH22 ARG 79 1HH2 ARG 79 -2.140 6.601 -10.547 700 H THR 80 H THR 80 -6.034 1.669 -4.995 701 HA THR 80 HA THR 80 -3.669 0.140 -4.244 702 HB THR 80 HB THR 80 -6.283 -0.984 -5.281 703 HG1 THR 80 HG1 THR 80 -6.989 0.108 -3.537 704 HG21 THR 80 3HG2 THR 80 -5.657 -2.952 -3.990 705 HG22 THR 80 1HG2 THR 80 -4.210 -2.136 -3.399 706 HG23 THR 80 2HG2 THR 80 -4.357 -2.538 -5.108 707 H ARG 81 H ARG 81 -2.367 -0.999 -5.608 708 HA ARG 81 HA ARG 81 -3.072 -1.264 -8.438 709 HB2 ARG 81 3HB ARG 81 -0.589 -0.599 -8.922 710 HB3 ARG 81 2HB ARG 81 -0.678 0.201 -7.360 711 HG2 ARG 81 3HG ARG 81 -1.134 1.774 -9.143 712 HG3 ARG 81 2HG ARG 81 -2.583 1.535 -8.161 713 HD2 ARG 81 3HD ARG 81 -3.498 0.015 -9.814 714 HD3 ARG 81 2HD ARG 81 -2.022 0.122 -10.771 715 HE ARG 81 HE ARG 81 -3.358 2.642 -10.343 716 HH11 ARG 81 1HH1 ARG 81 -3.018 -0.125 -12.361 717 HH12 ARG 81 2HH1 ARG 81 -3.669 0.667 -13.755 718 HH21 ARG 81 2HH2 ARG 81 -4.345 2.790 -13.625 719 HH22 ARG 81 1HH2 ARG 81 -4.215 3.651 -12.133 720 H LYS 82 H LYS 82 -1.843 -2.870 -9.587 721 HA LYS 82 HA LYS 82 -0.833 -4.982 -7.801 722 HB2 LYS 82 3HB LYS 82 -1.747 -5.177 -10.683 723 HB3 LYS 82 2HB LYS 82 -2.743 -5.546 -9.281 724 HG2 LYS 82 3HG LYS 82 -1.307 -7.393 -8.685 725 HG3 LYS 82 2HG LYS 82 -0.184 -6.982 -9.984 726 HD2 LYS 82 3HD LYS 82 -3.054 -7.866 -10.342 727 HD3 LYS 82 2HD LYS 82 -1.623 -8.862 -10.617 728 HE2 LYS 82 3HE LYS 82 -0.889 -7.318 -12.379 729 HE3 LYS 82 2HE LYS 82 -2.331 -6.336 -12.114 730 HZ1 LYS 82 3HZ LYS 82 -3.668 -8.312 -12.700 731 HZ2 LYS 82 1HZ LYS 82 -2.243 -9.131 -13.096 732 HZ3 LYS 82 2HZ LYS 82 -2.698 -7.760 -13.972 733 H VAL 83 H VAL 83 1.180 -5.898 -8.071 734 HA VAL 83 HA VAL 83 2.945 -4.772 -10.158 735 HB VAL 83 HB VAL 83 4.816 -4.769 -8.565 736 HG11 VAL 83 1HG1 VAL 83 4.097 -2.864 -7.175 737 HG12 VAL 83 2HG1 VAL 83 2.419 -3.203 -7.602 738 HG13 VAL 83 3HG1 VAL 83 3.564 -2.711 -8.850 739 HG21 VAL 83 3HG2 VAL 83 4.403 -5.074 -6.149 740 HG22 VAL 83 1HG2 VAL 83 4.089 -6.546 -7.068 741 HG23 VAL 83 2HG2 VAL 83 2.744 -5.555 -6.504 742 H THR 84 H THR 84 4.583 -6.150 -10.953 743 HA THR 84 HA THR 84 4.409 -8.994 -10.136 744 HB THR 84 HB THR 84 5.139 -9.643 -12.369 745 HG1 THR 84 HG1 THR 84 6.292 -8.119 -13.334 746 HG21 THR 84 3HG2 THR 84 3.164 -8.985 -13.666 747 HG22 THR 84 1HG2 THR 84 2.824 -7.697 -12.509 748 HG23 THR 84 2HG2 THR 84 2.724 -9.385 -12.007 749 H SER 85 H SER 85 6.658 -6.623 -11.557 750 HA SER 85 HA SER 85 8.948 -8.075 -10.439 751 HB2 SER 85 3HB SER 85 10.318 -6.635 -11.879 752 HB3 SER 85 2HB SER 85 8.895 -5.690 -12.318 753 HG SER 85 HG SER 85 9.786 -8.034 -13.345 754 HA PRO 86 HA PRO 86 9.740 -5.405 -6.971 755 HB2 PRO 86 2HB PRO 86 12.491 -5.091 -8.107 756 HB3 PRO 86 3HB PRO 86 11.994 -5.523 -6.466 757 HG2 PRO 86 3HG PRO 86 11.517 -7.731 -7.050 758 HG3 PRO 86 2HG PRO 86 12.892 -7.397 -8.122 759 HD2 PRO 86 3HD PRO 86 10.502 -8.271 -9.058 760 HD3 PRO 86 2HD PRO 86 11.538 -7.170 -9.990 761 H ASP 87 H ASP 87 11.213 -4.251 -10.011 762 HA ASP 87 HA ASP 87 11.332 -1.539 -9.284 763 HB2 ASP 87 3HB ASP 87 11.673 -1.127 -11.718 764 HB3 ASP 87 2HB ASP 87 11.296 -2.825 -12.015 765 H GLU 88 H GLU 88 8.665 -3.407 -10.557 766 HA GLU 88 HA GLU 88 6.998 -1.327 -11.429 767 HB2 GLU 88 3HB GLU 88 5.111 -2.825 -10.952 768 HB3 GLU 88 2HB GLU 88 6.149 -3.847 -9.968 769 HG2 GLU 88 3HG GLU 88 5.769 -4.869 -12.113 770 HG3 GLU 88 2HG GLU 88 7.466 -4.422 -11.949 771 H ALA 89 H ALA 89 7.042 -2.895 -8.213 772 HA ALA 89 HA ALA 89 5.399 -1.070 -6.872 773 HB1 ALA 89 3HB ALA 89 6.338 -1.977 -4.805 774 HB2 ALA 89 1HB ALA 89 7.663 -2.708 -5.713 775 HB3 ALA 89 2HB ALA 89 6.009 -3.267 -5.960 776 H LYS 90 H LYS 90 8.926 -1.078 -7.298 777 HA LYS 90 HA LYS 90 9.634 1.128 -5.786 778 HB2 LYS 90 3HB LYS 90 11.462 1.458 -7.527 779 HB3 LYS 90 2HB LYS 90 10.725 0.137 -8.423 780 HG2 LYS 90 3HG LYS 90 11.067 -1.328 -6.437 781 HG3 LYS 90 2HG LYS 90 11.940 -0.003 -5.664 782 HD2 LYS 90 3HD LYS 90 12.705 -1.479 -8.188 783 HD3 LYS 90 2HD LYS 90 13.555 -1.480 -6.646 784 HE2 LYS 90 3HE LYS 90 14.132 0.857 -6.910 785 HE3 LYS 90 2HE LYS 90 13.183 0.955 -8.393 786 HZ1 LYS 90 3HZ LYS 90 14.687 -0.625 -9.426 787 HZ2 LYS 90 1HZ LYS 90 15.603 -0.719 -8.005 788 HZ3 LYS 90 2HZ LYS 90 15.533 0.730 -8.867 789 H ARG 91 H ARG 91 8.540 1.129 -9.207 790 HA ARG 91 HA ARG 91 8.682 3.935 -9.504 791 HB2 ARG 91 3HB ARG 91 6.924 1.989 -11.022 792 HB3 ARG 91 2HB ARG 91 8.565 2.463 -11.464 793 HG2 ARG 91 3HG ARG 91 7.845 4.761 -11.784 794 HG3 ARG 91 2HG ARG 91 6.222 4.353 -11.240 795 HD2 ARG 91 3HD ARG 91 5.971 2.842 -13.174 796 HD3 ARG 91 2HD ARG 91 7.568 3.347 -13.741 797 HE ARG 91 HE ARG 91 6.041 5.641 -13.308 798 HH11 ARG 91 1HH1 ARG 91 6.079 2.941 -15.451 799 HH12 ARG 91 2HH1 ARG 91 5.305 3.809 -16.727 800 HH21 ARG 91 2HH2 ARG 91 4.678 5.922 -16.421 801 HH22 ARG 91 1HH2 ARG 91 5.034 6.724 -14.934 802 H TRP 92 H TRP 92 5.928 1.815 -8.653 803 HA TRP 92 HA TRP 92 3.940 3.764 -8.596 804 HB2 TRP 92 3HB TRP 92 2.805 2.248 -6.886 805 HB3 TRP 92 2HB TRP 92 4.236 1.225 -6.987 806 HD1 TRP 92 HD1 TRP 92 4.024 -0.669 -8.711 807 HE1 TRP 92 HE1 TRP 92 2.645 -1.083 -10.843 808 HE3 TRP 92 HE3 TRP 92 1.596 3.820 -8.988 809 HZ2 TRP 92 HZ2 TRP 92 0.777 0.309 -12.432 810 HZ3 TRP 92 HZ3 TRP 92 0.031 4.200 -10.845 811 HH2 TRP 92 HH2 TRP 92 -0.370 2.481 -12.533 812 H ILE 93 H ILE 93 6.262 2.914 -6.057 813 HA ILE 93 HA ILE 93 5.272 4.653 -4.068 814 HB ILE 93 HB ILE 93 8.114 3.735 -4.574 815 HG12 ILE 93 3HG1 ILE 93 6.501 1.913 -4.159 816 HG13 ILE 93 2HG1 ILE 93 5.978 2.705 -2.677 817 HG21 ILE 93 1HG2 ILE 93 8.095 5.767 -3.203 818 HG22 ILE 93 2HG2 ILE 93 8.592 4.364 -2.259 819 HG23 ILE 93 3HG2 ILE 93 6.958 5.009 -2.084 820 HD11 ILE 93 3HD1 ILE 93 8.735 1.626 -3.194 821 HD12 ILE 93 1HD1 ILE 93 7.478 0.851 -2.231 822 HD13 ILE 93 2HD1 ILE 93 8.172 2.384 -1.703 823 H LYS 94 H LYS 94 7.632 5.200 -6.697 824 HA LYS 94 HA LYS 94 8.143 7.918 -6.157 825 HB2 LYS 94 3HB LYS 94 8.134 6.429 -8.794 826 HB3 LYS 94 2HB LYS 94 9.521 6.741 -7.755 827 HG2 LYS 94 3HG LYS 94 9.245 9.164 -8.168 828 HG3 LYS 94 2HG LYS 94 7.915 8.805 -9.270 829 HD2 LYS 94 3HD LYS 94 9.442 7.525 -10.701 830 HD3 LYS 94 2HD LYS 94 10.775 7.887 -9.600 831 HE2 LYS 94 3HE LYS 94 9.181 9.870 -11.227 832 HE3 LYS 94 2HE LYS 94 10.861 9.400 -11.485 833 HZ1 LYS 94 3HZ LYS 94 9.772 10.877 -9.151 834 HZ2 LYS 94 1HZ LYS 94 10.793 11.485 -10.352 835 HZ3 LYS 94 2HZ LYS 94 11.365 10.321 -9.270 836 H GLU 95 H GLU 95 5.817 6.520 -8.488 837 HA GLU 95 HA GLU 95 4.543 8.773 -9.385 838 HB2 GLU 95 3HB GLU 95 2.573 7.372 -9.797 839 HB3 GLU 95 2HB GLU 95 3.178 6.162 -8.676 840 HG2 GLU 95 3HG GLU 95 3.535 5.434 -10.942 841 HG3 GLU 95 2HG GLU 95 5.084 5.740 -10.160 842 H PHE 96 H PHE 96 3.919 7.009 -6.393 843 HA PHE 96 HA PHE 96 1.643 8.392 -5.516 844 HB2 PHE 96 3HB PHE 96 3.809 7.108 -3.836 845 HB3 PHE 96 2HB PHE 96 2.496 6.236 -4.614 846 HD1 PHE 96 HD1 PHE 96 3.544 7.421 -1.577 847 HD2 PHE 96 HD2 PHE 96 0.082 7.400 -4.059 848 HE1 PHE 96 HE1 PHE 96 2.125 7.743 0.405 849 HE2 PHE 96 HE2 PHE 96 -1.343 7.728 -2.081 850 HZ PHE 96 HZ PHE 96 -0.321 7.899 0.156 851 H SER 97 H SER 97 5.095 8.997 -4.769 852 HA SER 97 HA SER 97 4.630 11.290 -3.149 853 HB2 SER 97 3HB SER 97 6.775 10.007 -3.143 854 HB3 SER 97 2HB SER 97 7.012 11.741 -3.350 855 HG SER 97 HG SER 97 7.148 9.719 -5.331 856 H GLU 98 H GLU 98 5.260 10.879 -6.604 857 HA GLU 98 HA GLU 98 5.397 13.571 -7.373 858 HB2 GLU 98 3HB GLU 98 4.735 12.786 -9.613 859 HB3 GLU 98 2HB GLU 98 4.234 11.247 -8.934 860 HG2 GLU 98 3HG GLU 98 6.350 10.946 -9.979 861 HG3 GLU 98 2HG GLU 98 6.579 10.839 -8.237 862 H GLU 99 H GLU 99 2.591 11.443 -6.939 863 HA GLU 99 HA GLU 99 0.607 13.280 -7.796 864 HB2 GLU 99 3HB GLU 99 -0.962 11.804 -6.481 865 HB3 GLU 99 2HB GLU 99 0.441 10.903 -5.927 866 HG2 GLU 99 3HG GLU 99 -0.552 9.699 -7.720 867 HG3 GLU 99 2HG GLU 99 0.973 10.369 -8.295 868 H GLY 100 H GLY 100 1.779 12.444 -4.525 869 HA2 GLY 100 3HA GLY 100 1.224 15.112 -3.561 870 HA3 GLY 100 2HA GLY 100 1.886 13.780 -2.628 871 H GLY 101 H GLY 101 -1.200 13.958 -4.406 872 HA2 GLY 101 3HA GLY 101 -2.600 13.530 -1.831 873 HA3 GLY 101 2HA GLY 101 -3.021 12.651 -3.290 874 H SER 102 H SER 102 -5.174 13.387 -3.176 875 HA SER 102 HA SER 102 -5.614 15.951 -4.422 876 HB2 SER 102 3HB SER 102 -8.038 15.299 -4.324 877 HB3 SER 102 2HB SER 102 -7.559 13.821 -3.491 878 HG SER 102 HG SER 102 -7.397 14.474 -6.149 879 H LEU 103 H LEU 103 -4.861 17.392 -2.789 880 HA LEU 103 HA LEU 103 -6.374 17.600 -0.323 881 HB2 LEU 103 3HB LEU 103 -3.946 18.154 -0.415 882 HB3 LEU 103 2HB LEU 103 -4.951 19.402 0.289 883 HG LEU 103 HG LEU 103 -4.833 20.614 -1.943 884 HD11 LEU 103 1HD1 LEU 103 -2.229 20.175 -0.473 885 HD12 LEU 103 2HD1 LEU 103 -3.518 21.270 0.026 886 HD13 LEU 103 3HD1 LEU 103 -2.646 21.566 -1.477 887 HD21 LEU 103 3HD2 LEU 103 -4.146 18.856 -3.423 888 HD22 LEU 103 1HD2 LEU 103 -2.705 18.529 -2.458 889 HD23 LEU 103 2HD2 LEU 103 -2.849 20.041 -3.352 890 H GLU 104 H GLU 104 -6.947 18.473 -3.464 891 HA GLU 104 HA GLU 104 -8.522 20.852 -2.829 892 HB2 GLU 104 3HB GLU 104 -8.910 21.060 -5.204 893 HB3 GLU 104 2HB GLU 104 -8.280 19.447 -5.503 894 HG2 GLU 104 3HG GLU 104 -6.491 21.478 -4.249 895 HG3 GLU 104 2HG GLU 104 -6.838 21.589 -5.971 896 H HIS 105 H HIS 105 -10.009 19.716 -1.406 897 HA HIS 105 HA HIS 105 -11.719 17.655 -2.467 898 HB2 HIS 105 3HB HIS 105 -12.899 17.788 -0.339 899 HB3 HIS 105 2HB HIS 105 -12.088 19.298 0.053 900 HD1 HIS 105 HD1 HIS 105 -10.857 18.537 2.111 901 HD2 HIS 105 HD2 HIS 105 -10.158 16.084 -1.174 902 HE1 HIS 105 HE1 HIS 105 -8.994 17.003 2.801 903 HE2 HIS 105 HE2 HIS 105 -8.501 15.620 0.757 904 H HIS 106 H HIS 106 -12.875 18.380 -4.206 905 HA HIS 106 HA HIS 106 -14.547 20.790 -3.851 906 HB2 HIS 106 3HB HIS 106 -13.770 19.471 -6.463 907 HB3 HIS 106 2HB HIS 106 -12.852 20.775 -5.722 908 HD1 HIS 106 HD1 HIS 106 -13.813 23.153 -5.868 909 HD2 HIS 106 HD2 HIS 106 -16.221 20.257 -7.628 910 HE1 HIS 106 HE1 HIS 106 -15.520 24.414 -7.203 911 HE2 HIS 106 HE2 HIS 106 -16.843 22.644 -8.402 912 H HIS 107 H HIS 107 -14.615 17.372 -4.332 913 HA HIS 107 HA HIS 107 -17.233 17.205 -5.477 914 HB2 HIS 107 3HB HIS 107 -17.084 14.788 -4.912 915 HB3 HIS 107 2HB HIS 107 -15.581 15.105 -4.055 916 HD1 HIS 107 HD1 HIS 107 -14.872 13.210 -5.954 917 HD2 HIS 107 HD2 HIS 107 -15.476 17.118 -7.232 918 HE1 HIS 107 HE1 HIS 107 -13.707 13.379 -8.171 919 HE2 HIS 107 HE2 HIS 107 -14.238 15.695 -8.998 920 H HIS 108 H HIS 108 -18.361 18.650 -4.027 921 HA HIS 108 HA HIS 108 -19.983 19.017 -2.483 922 HB2 HIS 108 3HB HIS 108 -19.704 16.109 -1.689 923 HB3 HIS 108 2HB HIS 108 -20.635 16.655 -3.077 924 HD1 HIS 108 HD1 HIS 108 -23.002 17.289 -2.667 925 HD2 HIS 108 HD2 HIS 108 -20.808 17.089 0.856 926 HE1 HIS 108 HE1 HIS 108 -24.673 17.577 -0.820 927 HE2 HIS 108 HE2 HIS 108 -23.325 17.505 1.297 928 H HIS 109 H HIS 109 -17.895 16.631 -0.821 929 HA HIS 109 HA HIS 109 -17.876 18.118 1.627 930 HB2 HIS 109 3HB HIS 109 -16.299 15.707 0.692 931 HB3 HIS 109 2HB HIS 109 -17.733 15.710 1.713 932 HD1 HIS 109 HD1 HIS 109 -17.414 16.473 4.201 933 HD2 HIS 109 HD2 HIS 109 -13.894 16.143 2.021 934 HE1 HIS 109 HE1 HIS 109 -15.569 16.519 5.894 935 HE2 HIS 109 HE2 HIS 109 -13.457 16.524 4.536 936 H HIS 110 H HIS 110 -16.254 19.336 2.545 937 HA HIS 110 HA HIS 110 -13.878 19.933 0.884 938 HB2 HIS 110 3HB HIS 110 -13.934 22.223 1.672 939 HB3 HIS 110 2HB HIS 110 -15.264 21.861 2.767 940 HD1 HIS 110 HD1 HIS 110 -17.336 22.889 1.902 941 HD2 HIS 110 HD2 HIS 110 -14.957 21.422 -1.174 942 HE1 HIS 110 HE1 HIS 110 -18.637 23.290 -0.208 943 HE2 HIS 110 HE2 HIS 110 -17.116 22.533 -2.055 Start of MODEL 3 1 H1 MET 1 1H MET 1 -0.241 16.541 6.546 2 H2 MET 1 2H MET 1 -0.628 17.764 5.443 3 H3 MET 1 3H MET 1 0.830 16.916 5.288 4 HA MET 1 HA MET 1 -1.879 15.726 5.013 5 HB2 MET 1 3HB MET 1 0.156 16.215 2.823 6 HB3 MET 1 2HB MET 1 -1.135 17.351 3.189 7 HG2 MET 1 3HG MET 1 -1.554 14.482 2.371 8 HG3 MET 1 2HG MET 1 -1.647 15.868 1.285 9 HE1 MET 1 3HE MET 1 -4.028 13.729 1.636 10 HE2 MET 1 1HE MET 1 -4.091 15.110 0.537 11 HE3 MET 1 2HE MET 1 -5.414 14.818 1.665 12 H LEU 2 H LEU 2 -1.877 13.521 5.155 13 HA LEU 2 HA LEU 2 0.715 12.234 5.614 14 HB2 LEU 2 3HB LEU 2 -0.515 10.431 6.644 15 HB3 LEU 2 2HB LEU 2 -2.039 11.103 6.104 16 HG LEU 2 HG LEU 2 -0.337 12.808 7.862 17 HD11 LEU 2 1HD1 LEU 2 -2.514 13.498 8.738 18 HD12 LEU 2 2HD1 LEU 2 -3.310 12.325 7.688 19 HD13 LEU 2 3HD1 LEU 2 -2.425 13.680 6.986 20 HD21 LEU 2 3HD2 LEU 2 -0.174 10.642 8.959 21 HD22 LEU 2 1HD2 LEU 2 -1.928 10.461 8.897 22 HD23 LEU 2 2HD2 LEU 2 -1.207 11.734 9.882 23 H LEU 3 H LEU 3 1.584 10.734 4.329 24 HA LEU 3 HA LEU 3 -0.048 9.530 2.176 25 HB2 LEU 3 3HB LEU 3 1.942 9.613 0.721 26 HB3 LEU 3 2HB LEU 3 2.836 10.428 1.989 27 HG LEU 3 HG LEU 3 1.310 12.374 1.800 28 HD11 LEU 3 1HD1 LEU 3 2.148 13.199 -0.333 29 HD12 LEU 3 2HD1 LEU 3 2.584 11.558 -0.814 30 HD13 LEU 3 3HD1 LEU 3 3.407 12.330 0.543 31 HD21 LEU 3 3HD2 LEU 3 0.127 10.843 -0.518 32 HD22 LEU 3 1HD2 LEU 3 -0.218 12.525 -0.115 33 HD23 LEU 3 2HD2 LEU 3 -0.684 11.239 0.997 34 H TYR 4 H TYR 4 -0.133 7.353 2.429 35 HA TYR 4 HA TYR 4 2.188 5.988 3.653 36 HB2 TYR 4 3HB TYR 4 0.485 4.390 4.685 37 HB3 TYR 4 2HB TYR 4 -0.744 5.580 4.272 38 HD1 TYR 4 HD1 TYR 4 -0.854 7.720 5.463 39 HD2 TYR 4 HD2 TYR 4 2.095 4.812 6.452 40 HE1 TYR 4 HE1 TYR 4 -0.393 8.906 7.566 41 HE2 TYR 4 HE2 TYR 4 2.562 5.995 8.554 42 HH TYR 4 HH TYR 4 2.317 8.130 9.558 43 H VAL 5 H VAL 5 2.616 3.868 3.005 44 HA VAL 5 HA VAL 5 1.183 2.945 0.586 45 HB VAL 5 HB VAL 5 4.150 2.636 1.142 46 HG11 VAL 5 1HG1 VAL 5 4.267 1.766 -1.159 47 HG12 VAL 5 2HG1 VAL 5 2.511 1.867 -1.278 48 HG13 VAL 5 3HG1 VAL 5 3.253 0.755 -0.127 49 HG21 VAL 5 3HG2 VAL 5 3.608 4.945 0.599 50 HG22 VAL 5 1HG2 VAL 5 2.714 4.426 -0.830 51 HG23 VAL 5 2HG2 VAL 5 4.461 4.192 -0.748 52 H LEU 6 H LEU 6 0.586 0.837 0.515 53 HA LEU 6 HA LEU 6 1.389 -0.949 2.729 54 HB2 LEU 6 3HB LEU 6 -0.800 -2.091 2.362 55 HB3 LEU 6 2HB LEU 6 -1.207 -0.872 1.167 56 HG LEU 6 HG LEU 6 -1.120 0.862 2.937 57 HD11 LEU 6 1HD1 LEU 6 -2.974 -1.429 3.594 58 HD12 LEU 6 2HD1 LEU 6 -3.245 -0.220 2.340 59 HD13 LEU 6 3HD1 LEU 6 -3.198 0.264 4.034 60 HD21 LEU 6 3HD2 LEU 6 -1.049 0.153 5.292 61 HD22 LEU 6 1HD2 LEU 6 0.457 -0.195 4.446 62 HD23 LEU 6 2HD2 LEU 6 -0.690 -1.494 4.775 63 H ILE 7 H ILE 7 2.259 -2.930 2.175 64 HA ILE 7 HA ILE 7 2.118 -3.697 -0.680 65 HB ILE 7 HB ILE 7 4.373 -2.842 -0.122 66 HG12 ILE 7 3HG1 ILE 7 4.068 -4.544 -1.884 67 HG13 ILE 7 2HG1 ILE 7 4.263 -5.823 -0.690 68 HG21 ILE 7 1HG2 ILE 7 4.522 -5.201 1.765 69 HG22 ILE 7 2HG2 ILE 7 4.431 -3.504 2.241 70 HG23 ILE 7 3HG2 ILE 7 5.844 -4.099 1.368 71 HD11 ILE 7 3HD1 ILE 7 6.368 -3.816 -1.455 72 HD12 ILE 7 1HD1 ILE 7 6.283 -5.489 -2.004 73 HD13 ILE 7 2HD1 ILE 7 6.557 -5.135 -0.298 74 H ILE 8 H ILE 8 1.576 -5.729 -1.148 75 HA ILE 8 HA ILE 8 1.687 -7.796 0.969 76 HB ILE 8 HB ILE 8 -0.472 -7.552 -1.154 77 HG12 ILE 8 3HG1 ILE 8 -0.594 -5.779 0.618 78 HG13 ILE 8 2HG1 ILE 8 -0.708 -7.049 1.830 79 HG21 ILE 8 1HG2 ILE 8 -1.590 -9.350 0.091 80 HG22 ILE 8 2HG2 ILE 8 -0.221 -9.434 1.202 81 HG23 ILE 8 3HG2 ILE 8 -0.008 -9.862 -0.496 82 HD11 ILE 8 3HD1 ILE 8 -2.887 -6.192 1.389 83 HD12 ILE 8 1HD1 ILE 8 -2.793 -7.829 0.741 84 HD13 ILE 8 2HD1 ILE 8 -2.690 -6.440 -0.343 85 H SER 9 H SER 9 3.377 -9.061 0.317 86 HA SER 9 HA SER 9 3.360 -10.198 -2.371 87 HB2 SER 9 3HB SER 9 5.704 -8.557 -1.372 88 HB3 SER 9 2HB SER 9 4.651 -8.164 -2.732 89 HG SER 9 HG SER 9 5.760 -9.473 -3.951 90 H ASN 10 H ASN 10 5.114 -11.812 -2.690 91 HA ASN 10 HA ASN 10 5.349 -13.435 -0.257 92 HB2 ASN 10 3HB ASN 10 5.890 -15.283 -1.826 93 HB3 ASN 10 2HB ASN 10 5.750 -14.157 -3.172 94 HD21 ASN 10 2HD2 ASN 10 2.256 -14.162 -3.213 95 HD22 ASN 10 1HD2 ASN 10 3.701 -13.385 -3.746 96 H ASP 11 H ASP 11 7.341 -11.636 -2.489 97 HA ASP 11 HA ASP 11 9.772 -12.982 -1.557 98 HB2 ASP 11 3HB ASP 11 9.513 -10.795 -3.636 99 HB3 ASP 11 2HB ASP 11 9.476 -12.521 -3.990 100 H LYS 12 H LYS 12 10.856 -12.234 0.132 101 HA LYS 12 HA LYS 12 10.094 -9.853 1.473 102 HB2 LYS 12 3HB LYS 12 11.950 -10.395 3.027 103 HB3 LYS 12 2HB LYS 12 12.476 -11.662 1.924 104 HG2 LYS 12 3HG LYS 12 11.175 -12.554 3.797 105 HG3 LYS 12 2HG LYS 12 10.384 -12.854 2.247 106 HD2 LYS 12 3HD LYS 12 8.937 -10.869 2.647 107 HD3 LYS 12 2HD LYS 12 9.683 -10.682 4.235 108 HE2 LYS 12 3HE LYS 12 8.164 -13.121 3.315 109 HE3 LYS 12 2HE LYS 12 7.504 -11.838 4.326 110 HZ1 LYS 12 3HZ LYS 12 9.136 -12.354 6.012 111 HZ2 LYS 12 1HZ LYS 12 9.801 -13.573 5.045 112 HZ3 LYS 12 2HZ LYS 12 8.226 -13.728 5.638 113 H LYS 13 H LYS 13 12.807 -10.589 -0.679 114 HA LYS 13 HA LYS 13 14.204 -8.153 -0.282 115 HB2 LYS 13 3HB LYS 13 15.126 -8.660 -2.625 116 HB3 LYS 13 2HB LYS 13 14.146 -10.121 -2.566 117 HG2 LYS 13 3HG LYS 13 16.443 -10.584 -1.911 118 HG3 LYS 13 2HG LYS 13 15.340 -10.850 -0.558 119 HD2 LYS 13 3HD LYS 13 15.923 -8.626 0.337 120 HD3 LYS 13 2HD LYS 13 17.058 -8.400 -0.996 121 HE2 LYS 13 3HE LYS 13 18.402 -10.257 -0.232 122 HE3 LYS 13 2HE LYS 13 17.230 -10.626 1.034 123 HZ1 LYS 13 3HZ LYS 13 19.094 -9.408 1.929 124 HZ2 LYS 13 1HZ LYS 13 17.695 -8.461 2.023 125 HZ3 LYS 13 2HZ LYS 13 18.851 -8.143 0.833 126 H LEU 14 H LEU 14 11.712 -9.086 -2.654 127 HA LEU 14 HA LEU 14 11.433 -6.659 -3.995 128 HB2 LEU 14 3HB LEU 14 9.212 -8.554 -3.173 129 HB3 LEU 14 2HB LEU 14 10.273 -8.804 -4.543 130 HG LEU 14 HG LEU 14 9.340 -6.534 -5.412 131 HD11 LEU 14 1HD1 LEU 14 8.898 -8.664 -6.484 132 HD12 LEU 14 2HD1 LEU 14 7.433 -7.684 -6.455 133 HD13 LEU 14 3HD1 LEU 14 7.624 -9.016 -5.314 134 HD21 LEU 14 3HD2 LEU 14 7.046 -6.043 -4.695 135 HD22 LEU 14 1HD2 LEU 14 8.188 -5.852 -3.365 136 HD23 LEU 14 2HD2 LEU 14 7.165 -7.284 -3.449 137 H ILE 15 H ILE 15 9.938 -7.746 -0.961 138 HA ILE 15 HA ILE 15 8.541 -5.369 -0.363 139 HB ILE 15 HB ILE 15 9.652 -7.435 1.555 140 HG12 ILE 15 3HG1 ILE 15 8.134 -8.390 -0.141 141 HG13 ILE 15 2HG1 ILE 15 6.911 -7.195 0.277 142 HG21 ILE 15 1HG2 ILE 15 7.483 -5.372 1.976 143 HG22 ILE 15 2HG2 ILE 15 9.088 -5.353 2.705 144 HG23 ILE 15 3HG2 ILE 15 7.948 -6.628 3.125 145 HD11 ILE 15 3HD1 ILE 15 6.419 -9.355 1.266 146 HD12 ILE 15 1HD1 ILE 15 6.729 -8.145 2.510 147 HD13 ILE 15 2HD1 ILE 15 7.967 -9.336 2.110 148 H GLU 16 H GLU 16 11.906 -6.321 0.221 149 HA GLU 16 HA GLU 16 12.597 -4.166 1.927 150 HB2 GLU 16 3HB GLU 16 14.961 -4.580 0.892 151 HB3 GLU 16 2HB GLU 16 14.196 -5.967 0.137 152 HG2 GLU 16 3HG GLU 16 13.819 -7.028 2.181 153 HG3 GLU 16 2HG GLU 16 14.033 -5.535 3.100 154 H GLU 17 H GLU 17 13.058 -4.516 -1.615 155 HA GLU 17 HA GLU 17 14.096 -1.935 -2.016 156 HB2 GLU 17 3HB GLU 17 13.137 -2.376 -4.445 157 HB3 GLU 17 2HB GLU 17 12.872 -3.992 -3.809 158 HG2 GLU 17 3HG GLU 17 15.522 -2.552 -3.860 159 HG3 GLU 17 2HG GLU 17 15.000 -3.766 -5.021 160 H ALA 18 H ALA 18 10.750 -3.079 -2.028 161 HA ALA 18 HA ALA 18 9.503 -0.691 -2.815 162 HB1 ALA 18 3HB ALA 18 8.286 -2.792 -2.619 163 HB2 ALA 18 1HB ALA 18 7.519 -1.544 -1.635 164 HB3 ALA 18 2HB ALA 18 8.517 -2.783 -0.870 165 H ARG 19 H ARG 19 10.308 -1.854 0.462 166 HA ARG 19 HA ARG 19 9.513 0.452 1.858 167 HB2 ARG 19 3HB ARG 19 11.175 -0.414 3.622 168 HB3 ARG 19 2HB ARG 19 11.469 -1.746 2.511 169 HG2 ARG 19 3HG ARG 19 9.015 -2.237 2.573 170 HG3 ARG 19 2HG ARG 19 8.860 -1.017 3.837 171 HD2 ARG 19 3HD ARG 19 9.009 -3.138 4.916 172 HD3 ARG 19 2HD ARG 19 10.543 -2.307 5.178 173 HE ARG 19 HE ARG 19 10.872 -3.843 2.909 174 HH11 ARG 19 1HH1 ARG 19 10.155 -4.413 6.230 175 HH12 ARG 19 2HH1 ARG 19 10.880 -5.980 6.236 176 HH21 ARG 19 2HH2 ARG 19 11.780 -6.802 4.374 177 HH22 ARG 19 1HH2 ARG 19 11.778 -5.873 2.920 178 H LYS 20 H LYS 20 12.661 -0.410 0.441 179 HA LYS 20 HA LYS 20 14.192 1.725 1.370 180 HB2 LYS 20 3HB LYS 20 15.532 1.413 -0.756 181 HB3 LYS 20 2HB LYS 20 14.322 0.246 -1.267 182 HG2 LYS 20 3HG LYS 20 14.848 -1.161 0.666 183 HG3 LYS 20 2HG LYS 20 16.061 0.011 1.189 184 HD2 LYS 20 3HD LYS 20 17.282 -0.342 -0.935 185 HD3 LYS 20 2HD LYS 20 16.092 -1.560 -1.397 186 HE2 LYS 20 3HE LYS 20 17.880 -1.701 1.032 187 HE3 LYS 20 2HE LYS 20 18.148 -2.560 -0.484 188 HZ1 LYS 20 3HZ LYS 20 15.859 -2.924 1.367 189 HZ2 LYS 20 1HZ LYS 20 17.114 -4.025 1.088 190 HZ3 LYS 20 2HZ LYS 20 16.003 -3.680 -0.141 191 H MET 21 H MET 21 12.441 1.532 -1.752 192 HA MET 21 HA MET 21 12.913 4.193 -2.527 193 HB2 MET 21 3HB MET 21 10.744 3.790 -3.922 194 HB3 MET 21 2HB MET 21 10.852 2.149 -3.297 195 HG2 MET 21 3HG MET 21 11.887 2.226 -5.446 196 HG3 MET 21 2HG MET 21 13.144 1.996 -4.230 197 HE1 MET 21 3HE MET 21 11.216 5.315 -5.043 198 HE2 MET 21 1HE MET 21 11.396 4.586 -6.639 199 HE3 MET 21 2HE MET 21 12.271 6.065 -6.241 200 H ALA 22 H ALA 22 10.277 2.794 -0.610 201 HA ALA 22 HA ALA 22 8.685 5.087 -0.376 202 HB1 ALA 22 3HB ALA 22 7.970 2.861 0.376 203 HB2 ALA 22 1HB ALA 22 7.783 4.067 1.651 204 HB3 ALA 22 2HB ALA 22 9.134 2.934 1.699 205 H GLU 23 H GLU 23 11.406 3.979 1.645 206 HA GLU 23 HA GLU 23 11.410 6.170 3.430 207 HB2 GLU 23 3HB GLU 23 13.736 5.454 3.969 208 HB3 GLU 23 2HB GLU 23 13.686 4.347 2.602 209 HG2 GLU 23 3HG GLU 23 11.856 3.113 3.649 210 HG3 GLU 23 2HG GLU 23 11.869 4.234 5.008 211 H LYS 24 H LYS 24 13.102 5.637 0.345 212 HA LYS 24 HA LYS 24 14.601 8.034 0.341 213 HB2 LYS 24 3HB LYS 24 14.791 7.710 -2.096 214 HB3 LYS 24 2HB LYS 24 13.516 6.501 -2.039 215 HG2 LYS 24 3HG LYS 24 15.754 5.506 -2.208 216 HG3 LYS 24 2HG LYS 24 14.912 5.018 -0.738 217 HD2 LYS 24 3HD LYS 24 17.234 5.514 -0.237 218 HD3 LYS 24 2HD LYS 24 16.181 6.699 0.536 219 HE2 LYS 24 3HE LYS 24 16.637 8.282 -1.299 220 HE3 LYS 24 2HE LYS 24 17.724 7.101 -2.029 221 HZ1 LYS 24 3HZ LYS 24 18.079 8.321 0.653 222 HZ2 LYS 24 1HZ LYS 24 18.920 8.761 -0.743 223 HZ3 LYS 24 2HZ LYS 24 19.133 7.223 -0.082 224 H ALA 25 H ALA 25 11.301 7.316 -0.668 225 HA ALA 25 HA ALA 25 10.785 9.999 -1.627 226 HB1 ALA 25 3HB ALA 25 8.869 7.726 -1.074 227 HB2 ALA 25 1HB ALA 25 9.644 8.068 -2.620 228 HB3 ALA 25 2HB ALA 25 8.492 9.216 -1.940 229 H ASN 26 H ASN 26 11.208 8.791 1.397 230 HA ASN 26 HA ASN 26 10.852 9.580 3.488 231 HB2 ASN 26 3HB ASN 26 9.953 11.931 3.738 232 HB3 ASN 26 2HB ASN 26 9.784 11.980 1.986 233 HD21 ASN 26 2HD2 ASN 26 13.517 11.522 1.821 234 HD22 ASN 26 1HD2 ASN 26 12.206 10.469 1.470 235 H LEU 27 H LEU 27 8.826 7.952 2.142 236 HA LEU 27 HA LEU 27 6.422 8.748 3.665 237 HB2 LEU 27 3HB LEU 27 5.095 7.486 2.057 238 HB3 LEU 27 2HB LEU 27 6.548 6.971 1.220 239 HG LEU 27 HG LEU 27 6.974 9.220 0.445 240 HD11 LEU 27 1HD1 LEU 27 5.002 9.591 -0.964 241 HD12 LEU 27 2HD1 LEU 27 4.084 8.458 0.028 242 HD13 LEU 27 3HD1 LEU 27 5.468 7.891 -0.909 243 HD21 LEU 27 3HD2 LEU 27 4.574 10.034 2.085 244 HD22 LEU 27 1HD2 LEU 27 5.420 11.072 0.936 245 HD23 LEU 27 2HD2 LEU 27 6.252 10.488 2.374 246 H GLU 28 H GLU 28 5.361 7.202 4.919 247 HA GLU 28 HA GLU 28 7.021 5.001 5.814 248 HB2 GLU 28 3HB GLU 28 5.135 4.671 7.493 249 HB3 GLU 28 2HB GLU 28 4.391 6.106 6.805 250 HG2 GLU 28 3HG GLU 28 7.147 6.052 8.023 251 HG3 GLU 28 2HG GLU 28 5.683 6.503 8.892 252 H LEU 29 H LEU 29 6.937 3.054 4.940 253 HA LEU 29 HA LEU 29 4.465 2.139 3.637 254 HB2 LEU 29 3HB LEU 29 7.248 0.962 3.462 255 HB3 LEU 29 2HB LEU 29 6.611 2.157 2.351 256 HG LEU 29 HG LEU 29 4.746 0.410 1.871 257 HD11 LEU 29 1HD1 LEU 29 6.458 1.071 0.259 258 HD12 LEU 29 2HD1 LEU 29 6.125 -0.657 0.157 259 HD13 LEU 29 3HD1 LEU 29 7.585 -0.088 0.967 260 HD21 LEU 29 3HD2 LEU 29 6.865 -1.376 3.076 261 HD22 LEU 29 1HD2 LEU 29 5.469 -1.924 2.148 262 HD23 LEU 29 2HD2 LEU 29 5.235 -1.121 3.699 263 H ARG 30 H ARG 30 3.254 0.591 4.515 264 HA ARG 30 HA ARG 30 4.251 -0.849 6.889 265 HB2 ARG 30 3HB ARG 30 1.908 -1.097 7.528 266 HB3 ARG 30 2HB ARG 30 1.389 -0.395 6.004 267 HG2 ARG 30 3HG ARG 30 1.143 1.335 7.543 268 HG3 ARG 30 2HG ARG 30 2.663 1.700 6.726 269 HD2 ARG 30 3HD ARG 30 3.249 2.037 8.929 270 HD3 ARG 30 2HD ARG 30 3.727 0.355 8.704 271 HE ARG 30 HE ARG 30 1.121 1.072 9.895 272 HH11 ARG 30 1HH1 ARG 30 4.083 -0.692 10.004 273 HH12 ARG 30 2HH1 ARG 30 3.682 -1.475 11.490 274 HH21 ARG 30 2HH2 ARG 30 1.754 -1.034 12.498 275 HH22 ARG 30 1HH2 ARG 30 0.628 0.082 11.797 276 H THR 31 H THR 31 4.399 -3.050 6.857 277 HA THR 31 HA THR 31 3.904 -4.390 4.304 278 HB THR 31 HB THR 31 5.170 -6.291 5.279 279 HG1 THR 31 HG1 THR 31 4.550 -5.556 7.549 280 HG21 THR 31 3HG2 THR 31 6.562 -3.617 5.528 281 HG22 THR 31 1HG2 THR 31 6.355 -4.542 4.039 282 HG23 THR 31 2HG2 THR 31 7.355 -5.181 5.343 283 H VAL 32 H VAL 32 2.246 -5.702 3.922 284 HA VAL 32 HA VAL 32 0.572 -6.579 6.193 285 HB VAL 32 HB VAL 32 -0.207 -5.981 3.329 286 HG11 VAL 32 1HG1 VAL 32 -1.927 -6.961 5.614 287 HG12 VAL 32 2HG1 VAL 32 -1.502 -7.867 4.162 288 HG13 VAL 32 3HG1 VAL 32 -2.517 -6.432 4.038 289 HG21 VAL 32 3HG2 VAL 32 -0.928 -4.591 5.918 290 HG22 VAL 32 1HG2 VAL 32 -1.539 -4.169 4.317 291 HG23 VAL 32 2HG2 VAL 32 0.176 -3.981 4.684 292 H LYS 33 H LYS 33 0.008 -8.706 6.387 293 HA LYS 33 HA LYS 33 1.348 -10.609 4.600 294 HB2 LYS 33 3HB LYS 33 0.980 -12.258 6.354 295 HB3 LYS 33 2HB LYS 33 -0.013 -11.118 7.255 296 HG2 LYS 33 3HG LYS 33 1.914 -9.680 7.614 297 HG3 LYS 33 2HG LYS 33 2.924 -10.761 6.650 298 HD2 LYS 33 3HD LYS 33 2.564 -12.562 8.273 299 HD3 LYS 33 2HD LYS 33 1.514 -11.509 9.223 300 HE2 LYS 33 3HE LYS 33 3.389 -9.997 9.644 301 HE3 LYS 33 2HE LYS 33 4.445 -11.023 8.673 302 HZ1 LYS 33 3HZ LYS 33 3.105 -11.794 11.208 303 HZ2 LYS 33 1HZ LYS 33 4.754 -11.483 11.001 304 HZ3 LYS 33 2HZ LYS 33 4.045 -12.827 10.259 305 H THR 34 H THR 34 -1.856 -10.260 6.166 306 HA THR 34 HA THR 34 -3.044 -11.805 3.939 307 HB THR 34 HB THR 34 -4.730 -12.669 5.499 308 HG1 THR 34 HG1 THR 34 -4.002 -12.290 7.861 309 HG21 THR 34 3HG2 THR 34 -1.922 -13.136 6.526 310 HG22 THR 34 1HG2 THR 34 -2.673 -13.981 5.171 311 HG23 THR 34 2HG2 THR 34 -3.316 -14.181 6.802 312 H GLU 35 H GLU 35 -5.414 -11.405 3.652 313 HA GLU 35 HA GLU 35 -6.059 -8.760 3.162 314 HB2 GLU 35 3HB GLU 35 -7.862 -11.138 3.660 315 HB3 GLU 35 2HB GLU 35 -7.246 -10.578 2.115 316 HG2 GLU 35 3HG GLU 35 -9.209 -9.552 1.877 317 HG3 GLU 35 2HG GLU 35 -8.596 -8.369 3.029 318 H ASP 36 H ASP 36 -6.784 -10.665 6.090 319 HA ASP 36 HA ASP 36 -8.329 -8.664 7.369 320 HB2 ASP 36 3HB ASP 36 -6.695 -10.855 8.676 321 HB3 ASP 36 2HB ASP 36 -8.327 -11.059 8.042 322 H GLU 37 H GLU 37 -4.843 -9.358 7.390 323 HA GLU 37 HA GLU 37 -4.063 -7.396 9.258 324 HB2 GLU 37 3HB GLU 37 -1.857 -7.436 8.075 325 HB3 GLU 37 2HB GLU 37 -2.581 -8.439 6.827 326 HG2 GLU 37 3HG GLU 37 -1.329 -9.824 8.329 327 HG3 GLU 37 2HG GLU 37 -3.046 -10.170 8.518 328 H LEU 38 H LEU 38 -4.513 -7.210 5.736 329 HA LEU 38 HA LEU 38 -3.835 -4.537 5.310 330 HB2 LEU 38 3HB LEU 38 -6.099 -5.982 3.915 331 HB3 LEU 38 2HB LEU 38 -4.423 -6.398 3.637 332 HG LEU 38 HG LEU 38 -5.128 -5.027 1.825 333 HD11 LEU 38 1HD1 LEU 38 -7.081 -3.993 2.850 334 HD12 LEU 38 2HD1 LEU 38 -6.050 -2.794 2.070 335 HD13 LEU 38 3HD1 LEU 38 -6.034 -2.962 3.827 336 HD21 LEU 38 3HD2 LEU 38 -3.600 -3.124 1.974 337 HD22 LEU 38 1HD2 LEU 38 -2.871 -4.599 2.609 338 HD23 LEU 38 2HD2 LEU 38 -3.468 -3.362 3.717 339 H LYS 39 H LYS 39 -7.006 -5.950 6.041 340 HA LYS 39 HA LYS 39 -8.601 -3.710 6.305 341 HB2 LYS 39 3HB LYS 39 -8.624 -6.206 8.019 342 HB3 LYS 39 2HB LYS 39 -9.320 -6.090 6.413 343 HG2 LYS 39 3HG LYS 39 -11.060 -4.691 7.135 344 HG3 LYS 39 2HG LYS 39 -10.239 -4.317 8.654 345 HD2 LYS 39 3HD LYS 39 -12.127 -5.923 8.916 346 HD3 LYS 39 2HD LYS 39 -10.576 -6.560 9.464 347 HE2 LYS 39 3HE LYS 39 -10.368 -7.644 7.170 348 HE3 LYS 39 2HE LYS 39 -12.065 -7.227 6.933 349 HZ1 LYS 39 3HZ LYS 39 -12.586 -8.503 8.944 350 HZ2 LYS 39 1HZ LYS 39 -10.961 -8.951 9.082 351 HZ3 LYS 39 2HZ LYS 39 -11.869 -9.466 7.754 352 H LYS 40 H LYS 40 -6.725 -5.308 8.871 353 HA LYS 40 HA LYS 40 -7.332 -3.592 10.988 354 HB2 LYS 40 3HB LYS 40 -4.897 -5.303 10.470 355 HB3 LYS 40 2HB LYS 40 -6.354 -5.777 11.329 356 HG2 LYS 40 3HG LYS 40 -5.818 -4.109 13.085 357 HG3 LYS 40 2HG LYS 40 -4.305 -3.760 12.243 358 HD2 LYS 40 3HD LYS 40 -5.143 -6.422 13.409 359 HD3 LYS 40 2HD LYS 40 -3.908 -5.339 14.053 360 HE2 LYS 40 3HE LYS 40 -2.489 -5.701 12.163 361 HE3 LYS 40 2HE LYS 40 -3.763 -6.558 11.297 362 HZ1 LYS 40 3HZ LYS 40 -2.148 -8.083 12.225 363 HZ2 LYS 40 1HZ LYS 40 -3.666 -8.314 12.937 364 HZ3 LYS 40 2HZ LYS 40 -2.453 -7.498 13.787 365 H TYR 41 H TYR 41 -4.520 -3.518 8.787 366 HA TYR 41 HA TYR 41 -3.284 -1.233 9.865 367 HB2 TYR 41 3HB TYR 41 -2.301 -1.036 7.481 368 HB3 TYR 41 2HB TYR 41 -3.197 -2.510 7.134 369 HD1 TYR 41 HD1 TYR 41 -2.839 -4.052 9.633 370 HD2 TYR 41 HD2 TYR 41 -0.060 -1.675 7.451 371 HE1 TYR 41 HE1 TYR 41 -0.990 -5.398 10.528 372 HE2 TYR 41 HE2 TYR 41 1.795 -3.016 8.345 373 HH TYR 41 HH TYR 41 1.363 -5.975 9.843 374 H LEU 42 H LEU 42 -5.825 -1.557 7.413 375 HA LEU 42 HA LEU 42 -5.988 1.151 6.678 376 HB2 LEU 42 3HB LEU 42 -8.425 0.560 6.157 377 HB3 LEU 42 2HB LEU 42 -8.037 -1.052 6.717 378 HG LEU 42 HG LEU 42 -6.408 -1.330 4.941 379 HD11 LEU 42 1HD1 LEU 42 -8.710 -1.898 4.430 380 HD12 LEU 42 2HD1 LEU 42 -7.909 -1.248 3.000 381 HD13 LEU 42 3HD1 LEU 42 -9.029 -0.240 3.918 382 HD21 LEU 42 3HD2 LEU 42 -7.106 1.497 4.123 383 HD22 LEU 42 1HD2 LEU 42 -6.077 0.385 3.218 384 HD23 LEU 42 2HD2 LEU 42 -5.572 0.959 4.807 385 H GLU 43 H GLU 43 -7.596 -0.617 9.335 386 HA GLU 43 HA GLU 43 -9.114 1.578 10.262 387 HB2 GLU 43 3HB GLU 43 -9.243 0.341 12.424 388 HB3 GLU 43 2HB GLU 43 -8.086 -0.821 11.788 389 HG2 GLU 43 3HG GLU 43 -9.599 -1.680 10.245 390 HG3 GLU 43 2HG GLU 43 -10.637 -0.257 10.319 391 H GLU 44 H GLU 44 -5.788 0.637 10.841 392 HA GLU 44 HA GLU 44 -5.148 2.480 12.874 393 HB2 GLU 44 3HB GLU 44 -3.439 1.378 10.621 394 HB3 GLU 44 2HB GLU 44 -3.666 0.645 12.200 395 HG2 GLU 44 3HG GLU 44 -2.558 2.578 13.244 396 HG3 GLU 44 2HG GLU 44 -2.291 3.267 11.642 397 H PHE 45 H PHE 45 -5.384 2.819 9.376 398 HA PHE 45 HA PHE 45 -4.385 5.524 9.337 399 HB2 PHE 45 3HB PHE 45 -5.011 5.486 6.953 400 HB3 PHE 45 2HB PHE 45 -5.818 3.941 7.191 401 HD1 PHE 45 HD1 PHE 45 -4.607 2.370 5.988 402 HD2 PHE 45 HD2 PHE 45 -2.516 5.172 8.427 403 HE1 PHE 45 HE1 PHE 45 -2.500 1.193 5.536 404 HE2 PHE 45 HE2 PHE 45 -0.408 3.995 7.971 405 HZ PHE 45 HZ PHE 45 -0.397 2.002 6.525 406 H ARG 46 H ARG 46 -7.523 4.038 9.684 407 HA ARG 46 HA ARG 46 -9.226 6.053 8.810 408 HB2 ARG 46 3HB ARG 46 -10.843 5.172 10.559 409 HB3 ARG 46 2HB ARG 46 -9.552 4.106 11.096 410 HG2 ARG 46 3HG ARG 46 -9.469 3.093 8.858 411 HG3 ARG 46 2HG ARG 46 -10.790 4.143 8.346 412 HD2 ARG 46 3HD ARG 46 -10.921 2.070 10.540 413 HD3 ARG 46 2HD ARG 46 -11.610 1.915 8.924 414 HE ARG 46 HE ARG 46 -12.796 4.139 9.828 415 HH11 ARG 46 1HH1 ARG 46 -12.425 1.012 11.246 416 HH12 ARG 46 2HH1 ARG 46 -13.902 1.128 12.130 417 HH21 ARG 46 2HH2 ARG 46 -15.185 2.919 11.936 418 HH22 ARG 46 1HH2 ARG 46 -14.686 4.252 10.956 419 H LYS 47 H LYS 47 -7.217 6.026 11.642 420 HA LYS 47 HA LYS 47 -8.440 8.002 13.207 421 HB2 LYS 47 3HB LYS 47 -6.172 8.398 14.129 422 HB3 LYS 47 2HB LYS 47 -5.489 7.437 12.824 423 HG2 LYS 47 3HG LYS 47 -6.742 5.475 13.643 424 HG3 LYS 47 2HG LYS 47 -7.341 6.447 14.990 425 HD2 LYS 47 3HD LYS 47 -4.455 5.772 14.398 426 HD3 LYS 47 2HD LYS 47 -5.435 5.120 15.711 427 HE2 LYS 47 3HE LYS 47 -5.628 7.361 16.686 428 HE3 LYS 47 2HE LYS 47 -4.653 8.020 15.372 429 HZ1 LYS 47 3HZ LYS 47 -3.363 7.619 17.398 430 HZ2 LYS 47 1HZ LYS 47 -2.794 6.700 16.096 431 HZ3 LYS 47 2HZ LYS 47 -3.721 5.970 17.306 432 H GLU 48 H GLU 48 -5.781 8.434 10.854 433 HA GLU 48 HA GLU 48 -6.301 11.313 10.773 434 HB2 GLU 48 3HB GLU 48 -4.192 11.300 9.330 435 HB3 GLU 48 2HB GLU 48 -4.050 9.594 9.731 436 HG2 GLU 48 3HG GLU 48 -2.633 10.803 11.209 437 HG3 GLU 48 2HG GLU 48 -4.013 10.234 12.145 438 H SER 49 H SER 49 -8.048 9.207 9.470 439 HA SER 49 HA SER 49 -7.858 9.257 6.685 440 HB2 SER 49 3HB SER 49 -9.433 7.796 7.893 441 HB3 SER 49 2HB SER 49 -10.260 8.727 6.644 442 HG SER 49 HG SER 49 -10.606 8.745 9.355 443 H GLN 50 H GLN 50 -8.454 11.842 8.752 444 HA GLN 50 HA GLN 50 -10.124 13.518 7.242 445 HB2 GLN 50 3HB GLN 50 -9.217 15.324 8.634 446 HB3 GLN 50 2HB GLN 50 -7.890 14.284 9.139 447 HG2 GLN 50 3HG GLN 50 -9.559 12.749 10.161 448 HG3 GLN 50 2HG GLN 50 -10.813 13.922 9.765 449 HE21 GLN 50 2HE2 GLN 50 -10.319 15.112 13.002 450 HE22 GLN 50 1HE2 GLN 50 -11.342 14.241 11.917 451 H ASN 51 H ASN 51 -6.601 13.017 7.124 452 HA ASN 51 HA ASN 51 -6.452 14.716 4.713 453 HB2 ASN 51 3HB ASN 51 -4.571 15.964 5.511 454 HB3 ASN 51 2HB ASN 51 -4.404 14.940 6.933 455 HD21 ASN 51 2HD2 ASN 51 -6.702 16.672 8.860 456 HD22 ASN 51 1HD2 ASN 51 -5.710 15.272 8.687 457 H ILE 52 H ILE 52 -6.395 11.940 4.566 458 HA ILE 52 HA ILE 52 -3.514 11.280 4.374 459 HB ILE 52 HB ILE 52 -4.740 10.115 6.229 460 HG12 ILE 52 3HG1 ILE 52 -2.659 9.206 5.234 461 HG13 ILE 52 2HG1 ILE 52 -3.617 8.310 4.061 462 HG21 ILE 52 1HG2 ILE 52 -6.127 8.680 3.960 463 HG22 ILE 52 2HG2 ILE 52 -6.884 9.808 5.083 464 HG23 ILE 52 3HG2 ILE 52 -6.245 8.272 5.672 465 HD11 ILE 52 3HD1 ILE 52 -4.609 6.999 5.853 466 HD12 ILE 52 1HD1 ILE 52 -3.681 7.913 7.045 467 HD13 ILE 52 2HD1 ILE 52 -2.849 6.887 5.874 468 H LYS 53 H LYS 53 -2.806 9.905 2.733 469 HA LYS 53 HA LYS 53 -4.737 8.975 0.712 470 HB2 LYS 53 3HB LYS 53 -3.216 9.588 -1.102 471 HB3 LYS 53 2HB LYS 53 -2.041 10.201 0.046 472 HG2 LYS 53 3HG LYS 53 -2.901 12.212 -0.377 473 HG3 LYS 53 2HG LYS 53 -4.261 11.715 0.628 474 HD2 LYS 53 3HD LYS 53 -4.151 11.237 -2.351 475 HD3 LYS 53 2HD LYS 53 -4.859 12.681 -1.631 476 HE2 LYS 53 3HE LYS 53 -5.759 9.868 -1.018 477 HE3 LYS 53 2HE LYS 53 -6.518 10.923 -2.209 478 HZ1 LYS 53 3HZ LYS 53 -6.321 11.436 0.712 479 HZ2 LYS 53 1HZ LYS 53 -7.720 11.024 -0.146 480 HZ3 LYS 53 2HZ LYS 53 -6.973 12.514 -0.419 481 H VAL 54 H VAL 54 -4.466 6.808 0.392 482 HA VAL 54 HA VAL 54 -1.906 5.603 1.252 483 HB VAL 54 HB VAL 54 -4.647 4.315 1.239 484 HG11 VAL 54 1HG1 VAL 54 -2.872 2.684 0.861 485 HG12 VAL 54 2HG1 VAL 54 -3.564 2.484 2.470 486 HG13 VAL 54 3HG1 VAL 54 -2.003 3.280 2.276 487 HG21 VAL 54 3HG2 VAL 54 -2.983 5.286 3.570 488 HG22 VAL 54 1HG2 VAL 54 -4.523 4.433 3.681 489 HG23 VAL 54 2HG2 VAL 54 -4.456 6.044 2.965 490 H LEU 55 H LEU 55 -0.844 4.201 -0.065 491 HA LEU 55 HA LEU 55 -2.052 3.547 -2.691 492 HB2 LEU 55 3HB LEU 55 0.856 3.914 -1.939 493 HB3 LEU 55 2HB LEU 55 -0.114 5.035 -2.875 494 HG LEU 55 HG LEU 55 0.555 2.225 -3.774 495 HD11 LEU 55 1HD1 LEU 55 -0.186 3.000 -5.964 496 HD12 LEU 55 2HD1 LEU 55 -0.604 4.570 -5.276 497 HD13 LEU 55 3HD1 LEU 55 -1.477 3.124 -4.770 498 HD21 LEU 55 3HD2 LEU 55 2.590 3.562 -3.571 499 HD22 LEU 55 1HD2 LEU 55 1.863 4.829 -4.563 500 HD23 LEU 55 2HD2 LEU 55 2.197 3.243 -5.259 501 H ILE 56 H ILE 56 -2.515 1.417 -2.941 502 HA ILE 56 HA ILE 56 -1.191 -0.515 -1.141 503 HB ILE 56 HB ILE 56 -3.866 -0.788 -2.537 504 HG12 ILE 56 3HG1 ILE 56 -3.917 0.926 -0.769 505 HG13 ILE 56 2HG1 ILE 56 -3.207 -0.210 0.371 506 HG21 ILE 56 1HG2 ILE 56 -4.170 -2.774 -1.123 507 HG22 ILE 56 2HG2 ILE 56 -2.546 -2.560 -0.468 508 HG23 ILE 56 3HG2 ILE 56 -2.764 -2.948 -2.175 509 HD11 ILE 56 3HD1 ILE 56 -5.580 0.012 0.747 510 HD12 ILE 56 1HD1 ILE 56 -5.198 -1.621 0.202 511 HD13 ILE 56 2HD1 ILE 56 -5.912 -0.460 -0.920 512 H LEU 57 H LEU 57 0.169 -1.950 -2.008 513 HA LEU 57 HA LEU 57 -0.051 -2.599 -4.885 514 HB2 LEU 57 3HB LEU 57 2.394 -3.209 -4.718 515 HB3 LEU 57 2HB LEU 57 2.401 -2.505 -3.115 516 HG LEU 57 HG LEU 57 3.333 -1.047 -4.934 517 HD11 LEU 57 1HD1 LEU 57 0.457 -0.894 -5.829 518 HD12 LEU 57 2HD1 LEU 57 1.790 -1.634 -6.715 519 HD13 LEU 57 3HD1 LEU 57 1.783 0.104 -6.426 520 HD21 LEU 57 3HD2 LEU 57 0.936 0.060 -3.470 521 HD22 LEU 57 1HD2 LEU 57 2.254 1.001 -4.171 522 HD23 LEU 57 2HD2 LEU 57 2.570 -0.089 -2.821 523 H VAL 58 H VAL 58 -0.810 -4.570 -5.227 524 HA VAL 58 HA VAL 58 -0.317 -6.688 -3.221 525 HB VAL 58 HB VAL 58 -2.378 -7.771 -4.062 526 HG11 VAL 58 1HG1 VAL 58 -3.981 -6.196 -3.077 527 HG12 VAL 58 2HG1 VAL 58 -2.780 -4.908 -3.170 528 HG13 VAL 58 3HG1 VAL 58 -2.505 -6.297 -2.119 529 HG21 VAL 58 3HG2 VAL 58 -2.720 -5.250 -5.700 530 HG22 VAL 58 1HG2 VAL 58 -3.890 -6.561 -5.552 531 HG23 VAL 58 2HG2 VAL 58 -2.341 -6.850 -6.344 532 H SER 59 H SER 59 -0.210 -8.927 -4.083 533 HA SER 59 HA SER 59 1.308 -9.000 -6.597 534 HB2 SER 59 3HB SER 59 1.996 -11.265 -5.896 535 HB3 SER 59 2HB SER 59 0.961 -11.134 -4.473 536 HG SER 59 HG SER 59 2.278 -9.158 -4.018 537 H ASN 60 H ASN 60 -1.711 -10.134 -5.230 538 HA ASN 60 HA ASN 60 -2.301 -11.553 -7.757 539 HB2 ASN 60 3HB ASN 60 -3.870 -12.961 -6.480 540 HB3 ASN 60 2HB ASN 60 -3.429 -12.111 -5.001 541 HD21 ASN 60 2HD2 ASN 60 -0.469 -13.860 -4.502 542 HD22 ASN 60 1HD2 ASN 60 -1.460 -12.523 -4.047 543 H ASP 61 H ASP 61 -4.343 -11.320 -8.697 544 HA ASP 61 HA ASP 61 -5.564 -8.785 -8.502 545 HB2 ASP 61 3HB ASP 61 -7.216 -9.675 -10.076 546 HB3 ASP 61 2HB ASP 61 -6.682 -11.320 -9.733 547 H GLU 62 H GLU 62 -6.346 -11.871 -7.021 548 HA GLU 62 HA GLU 62 -8.871 -11.311 -5.960 549 HB2 GLU 62 3HB GLU 62 -6.651 -12.905 -4.652 550 HB3 GLU 62 2HB GLU 62 -7.696 -13.522 -5.922 551 HG2 GLU 62 3HG GLU 62 -9.645 -13.180 -4.445 552 HG3 GLU 62 2HG GLU 62 -8.551 -12.652 -3.167 553 H GLU 63 H GLU 63 -5.676 -10.869 -4.444 554 HA GLU 63 HA GLU 63 -6.499 -9.540 -2.121 555 HB2 GLU 63 3HB GLU 63 -4.183 -8.806 -1.924 556 HB3 GLU 63 2HB GLU 63 -3.902 -9.125 -3.628 557 HG2 GLU 63 3HG GLU 63 -2.923 -10.870 -2.296 558 HG3 GLU 63 2HG GLU 63 -4.267 -11.523 -3.230 559 H LEU 64 H LEU 64 -5.737 -8.320 -5.342 560 HA LEU 64 HA LEU 64 -5.774 -5.571 -4.910 561 HB2 LEU 64 3HB LEU 64 -6.848 -7.085 -7.300 562 HB3 LEU 64 2HB LEU 64 -5.159 -6.706 -7.028 563 HG LEU 64 HG LEU 64 -7.321 -4.618 -7.390 564 HD11 LEU 64 1HD1 LEU 64 -4.308 -4.415 -7.387 565 HD12 LEU 64 2HD1 LEU 64 -5.398 -3.824 -6.131 566 HD13 LEU 64 3HD1 LEU 64 -5.429 -3.099 -7.737 567 HD21 LEU 64 3HD2 LEU 64 -6.422 -4.320 -9.649 568 HD22 LEU 64 1HD2 LEU 64 -7.074 -5.945 -9.427 569 HD23 LEU 64 2HD2 LEU 64 -5.329 -5.683 -9.400 570 H ASP 65 H ASP 65 -8.505 -7.675 -5.820 571 HA ASP 65 HA ASP 65 -10.450 -5.620 -5.699 572 HB2 ASP 65 3HB ASP 65 -10.871 -8.610 -5.539 573 HB3 ASP 65 2HB ASP 65 -10.699 -7.692 -7.032 574 H LYS 66 H LYS 66 -9.261 -7.916 -3.285 575 HA LYS 66 HA LYS 66 -11.253 -7.364 -1.331 576 HB2 LYS 66 3HB LYS 66 -9.569 -8.271 0.304 577 HB3 LYS 66 2HB LYS 66 -8.418 -8.375 -1.021 578 HG2 LYS 66 3HG LYS 66 -9.452 -10.535 -0.556 579 HG3 LYS 66 2HG LYS 66 -9.850 -9.967 -2.177 580 HD2 LYS 66 3HD LYS 66 -11.804 -10.949 -1.050 581 HD3 LYS 66 2HD LYS 66 -12.051 -9.241 -1.413 582 HE2 LYS 66 3HE LYS 66 -11.526 -8.654 0.899 583 HE3 LYS 66 2HE LYS 66 -11.230 -10.352 1.274 584 HZ1 LYS 66 3HZ LYS 66 -13.832 -9.304 0.312 585 HZ2 LYS 66 1HZ LYS 66 -13.454 -9.543 1.942 586 HZ3 LYS 66 2HZ LYS 66 -13.510 -10.861 0.881 587 H ALA 67 H ALA 67 -8.079 -5.917 -1.983 588 HA ALA 67 HA ALA 67 -7.900 -4.238 0.252 589 HB1 ALA 67 3HB ALA 67 -6.233 -2.999 -0.997 590 HB2 ALA 67 1HB ALA 67 -6.792 -3.717 -2.510 591 HB3 ALA 67 2HB ALA 67 -6.033 -4.728 -1.281 592 H LYS 68 H LYS 68 -9.028 -3.383 -3.041 593 HA LYS 68 HA LYS 68 -9.868 -0.777 -2.506 594 HB2 LYS 68 3HB LYS 68 -9.765 -1.433 -4.780 595 HB3 LYS 68 2HB LYS 68 -11.471 -1.146 -4.457 596 HG2 LYS 68 3HG LYS 68 -11.775 -3.588 -4.142 597 HG3 LYS 68 2HG LYS 68 -10.088 -3.821 -4.594 598 HD2 LYS 68 3HD LYS 68 -11.348 -4.261 -6.542 599 HD3 LYS 68 2HD LYS 68 -10.629 -2.666 -6.777 600 HE2 LYS 68 3HE LYS 68 -12.693 -1.573 -6.296 601 HE3 LYS 68 2HE LYS 68 -13.427 -3.072 -5.727 602 HZ1 LYS 68 3HZ LYS 68 -14.109 -2.387 -7.996 603 HZ2 LYS 68 1HZ LYS 68 -13.440 -3.939 -7.923 604 HZ3 LYS 68 2HZ LYS 68 -12.525 -2.649 -8.517 605 H GLU 69 H GLU 69 -11.699 -3.815 -2.183 606 HA GLU 69 HA GLU 69 -14.180 -2.782 -1.443 607 HB2 GLU 69 3HB GLU 69 -14.314 -4.999 -0.070 608 HB3 GLU 69 2HB GLU 69 -12.749 -5.344 -0.790 609 HG2 GLU 69 3HG GLU 69 -14.414 -6.408 -2.105 610 HG3 GLU 69 2HG GLU 69 -13.780 -5.051 -3.035 611 H LEU 70 H LEU 70 -11.665 -3.983 0.809 612 HA LEU 70 HA LEU 70 -12.870 -3.335 3.200 613 HB2 LEU 70 3HB LEU 70 -10.577 -3.250 4.158 614 HB3 LEU 70 2HB LEU 70 -9.925 -3.227 2.529 615 HG LEU 70 HG LEU 70 -10.936 -5.471 2.133 616 HD11 LEU 70 1HD1 LEU 70 -9.076 -5.302 4.504 617 HD12 LEU 70 2HD1 LEU 70 -8.603 -5.280 2.805 618 HD13 LEU 70 3HD1 LEU 70 -9.337 -6.726 3.496 619 HD21 LEU 70 3HD2 LEU 70 -11.751 -6.766 4.048 620 HD22 LEU 70 1HD2 LEU 70 -12.759 -5.348 3.750 621 HD23 LEU 70 2HD2 LEU 70 -11.598 -5.342 5.079 622 H ALA 71 H ALA 71 -10.754 -1.225 1.260 623 HA ALA 71 HA ALA 71 -10.775 0.970 3.044 624 HB1 ALA 71 3HB ALA 71 -9.902 2.264 1.175 625 HB2 ALA 71 1HB ALA 71 -10.339 0.969 0.061 626 HB3 ALA 71 2HB ALA 71 -9.103 0.697 1.290 627 H GLN 72 H GLN 72 -12.785 0.276 0.172 628 HA GLN 72 HA GLN 72 -14.285 2.698 0.343 629 HB2 GLN 72 3HB GLN 72 -15.818 1.587 -1.282 630 HB3 GLN 72 2HB GLN 72 -14.904 0.098 -1.078 631 HG2 GLN 72 3HG GLN 72 -12.915 1.156 -1.976 632 HG3 GLN 72 2HG GLN 72 -13.762 2.696 -2.104 633 HE21 GLN 72 2HE2 GLN 72 -13.686 0.754 -5.352 634 HE22 GLN 72 1HE2 GLN 72 -12.471 1.058 -4.162 635 H LYS 73 H LYS 73 -14.594 -0.409 1.876 636 HA LYS 73 HA LYS 73 -17.296 -0.050 2.791 637 HB2 LYS 73 3HB LYS 73 -16.708 -1.951 4.357 638 HB3 LYS 73 2HB LYS 73 -15.084 -1.919 3.685 639 HG2 LYS 73 3HG LYS 73 -16.349 -3.685 2.652 640 HG3 LYS 73 2HG LYS 73 -16.015 -2.429 1.458 641 HD2 LYS 73 3HD LYS 73 -18.263 -1.557 1.678 642 HD3 LYS 73 2HD LYS 73 -18.613 -2.701 2.977 643 HE2 LYS 73 3HE LYS 73 -17.983 -3.413 0.109 644 HE3 LYS 73 2HE LYS 73 -19.579 -3.444 0.858 645 HZ1 LYS 73 3HZ LYS 73 -18.809 -5.162 2.368 646 HZ2 LYS 73 1HZ LYS 73 -17.269 -5.126 1.666 647 HZ3 LYS 73 2HZ LYS 73 -18.600 -5.645 0.761 648 H MET 74 H MET 74 -14.135 0.871 3.945 649 HA MET 74 HA MET 74 -15.310 1.812 6.486 650 HB2 MET 74 3HB MET 74 -12.950 1.789 7.333 651 HB3 MET 74 2HB MET 74 -12.463 1.063 5.807 652 HG2 MET 74 3HG MET 74 -13.862 -0.871 6.248 653 HG3 MET 74 2HG MET 74 -14.438 -0.136 7.743 654 HE1 MET 74 3HE MET 74 -11.475 -1.860 5.891 655 HE2 MET 74 1HE MET 74 -10.148 -1.680 7.039 656 HE3 MET 74 2HE MET 74 -10.782 -0.265 6.195 657 H GLU 75 H GLU 75 -14.905 3.135 3.660 658 HA GLU 75 HA GLU 75 -14.596 5.242 2.843 659 HB2 GLU 75 3HB GLU 75 -15.086 7.107 4.335 660 HB3 GLU 75 2HB GLU 75 -14.817 6.089 5.743 661 HG2 GLU 75 3HG GLU 75 -16.754 4.702 5.063 662 HG3 GLU 75 2HG GLU 75 -17.051 5.827 3.736 663 H ILE 76 H ILE 76 -12.286 4.389 2.483 664 HA ILE 76 HA ILE 76 -10.373 6.162 3.873 665 HB ILE 76 HB ILE 76 -9.892 3.248 3.208 666 HG12 ILE 76 3HG1 ILE 76 -11.382 3.644 5.166 667 HG13 ILE 76 2HG1 ILE 76 -10.115 4.620 5.904 668 HG21 ILE 76 1HG2 ILE 76 -8.078 5.271 4.537 669 HG22 ILE 76 2HG2 ILE 76 -7.862 4.572 2.932 670 HG23 ILE 76 3HG2 ILE 76 -7.740 3.548 4.362 671 HD11 ILE 76 3HD1 ILE 76 -10.176 2.383 6.836 672 HD12 ILE 76 1HD1 ILE 76 -8.658 2.677 5.991 673 HD13 ILE 76 2HD1 ILE 76 -9.913 1.696 5.235 674 H ASP 77 H ASP 77 -8.986 7.230 2.614 675 HA ASP 77 HA ASP 77 -9.170 7.199 -0.219 676 HB2 ASP 77 3HB ASP 77 -7.396 8.869 -0.140 677 HB3 ASP 77 2HB ASP 77 -7.035 8.444 1.530 678 H VAL 78 H VAL 78 -8.432 5.401 -1.331 679 HA VAL 78 HA VAL 78 -5.600 4.673 -0.922 680 HB VAL 78 HB VAL 78 -6.088 2.306 -1.245 681 HG11 VAL 78 1HG1 VAL 78 -5.987 3.139 1.038 682 HG12 VAL 78 2HG1 VAL 78 -7.180 1.846 0.911 683 HG13 VAL 78 3HG1 VAL 78 -7.707 3.526 0.995 684 HG21 VAL 78 3HG2 VAL 78 -8.999 3.134 -1.254 685 HG22 VAL 78 1HG2 VAL 78 -8.406 1.472 -1.209 686 HG23 VAL 78 2HG2 VAL 78 -8.087 2.483 -2.617 687 H ARG 79 H ARG 79 -4.529 3.728 -2.731 688 HA ARG 79 HA ARG 79 -5.987 3.741 -5.302 689 HB2 ARG 79 3HB ARG 79 -3.993 4.482 -6.470 690 HB3 ARG 79 2HB ARG 79 -3.058 4.460 -4.981 691 HG2 ARG 79 3HG ARG 79 -4.203 6.346 -4.118 692 HG3 ARG 79 2HG ARG 79 -5.424 6.272 -5.390 693 HD2 ARG 79 3HD ARG 79 -3.699 8.062 -5.705 694 HD3 ARG 79 2HD ARG 79 -3.848 6.939 -7.055 695 HE ARG 79 HE ARG 79 -1.744 6.507 -5.056 696 HH11 ARG 79 1HH1 ARG 79 -2.662 7.343 -8.268 697 HH12 ARG 79 2HH1 ARG 79 -1.077 7.091 -8.907 698 HH21 ARG 79 2HH2 ARG 79 0.590 6.480 -7.576 699 HH22 ARG 79 1HH2 ARG 79 0.311 6.215 -5.893 700 H THR 80 H THR 80 -6.160 1.684 -5.975 701 HA THR 80 HA THR 80 -4.354 -0.346 -4.906 702 HB THR 80 HB THR 80 -6.038 -1.920 -6.089 703 HG1 THR 80 HG1 THR 80 -7.202 -0.607 -7.395 704 HG21 THR 80 3HG2 THR 80 -5.975 -1.650 -3.678 705 HG22 THR 80 1HG2 THR 80 -7.650 -1.702 -4.231 706 HG23 THR 80 2HG2 THR 80 -6.914 -0.158 -3.792 707 H ARG 81 H ARG 81 -2.794 -1.331 -6.014 708 HA ARG 81 HA ARG 81 -3.069 -1.768 -8.891 709 HB2 ARG 81 3HB ARG 81 -0.415 -1.241 -8.870 710 HB3 ARG 81 2HB ARG 81 -0.941 -0.114 -7.630 711 HG2 ARG 81 3HG ARG 81 -0.814 0.914 -9.859 712 HG3 ARG 81 2HG ARG 81 -2.445 0.967 -9.185 713 HD2 ARG 81 3HD ARG 81 -3.182 -0.811 -10.584 714 HD3 ARG 81 2HD ARG 81 -1.534 -1.201 -11.072 715 HE ARG 81 HE ARG 81 -1.746 0.320 -12.734 716 HH11 ARG 81 1HH1 ARG 81 -3.977 1.201 -10.253 717 HH12 ARG 81 2HH1 ARG 81 -4.638 2.507 -11.171 718 HH21 ARG 81 2HH2 ARG 81 -3.885 2.940 -13.203 719 HH22 ARG 81 1HH2 ARG 81 -2.619 1.984 -13.894 720 H LYS 82 H LYS 82 -2.133 -3.651 -9.636 721 HA LYS 82 HA LYS 82 -0.901 -5.411 -7.626 722 HB2 LYS 82 3HB LYS 82 -1.902 -6.078 -10.409 723 HB3 LYS 82 2HB LYS 82 -2.833 -6.282 -8.931 724 HG2 LYS 82 3HG LYS 82 -1.290 -7.948 -8.122 725 HG3 LYS 82 2HG LYS 82 -0.209 -7.665 -9.488 726 HD2 LYS 82 3HD LYS 82 -3.031 -8.725 -9.700 727 HD3 LYS 82 2HD LYS 82 -1.569 -9.709 -9.764 728 HE2 LYS 82 3HE LYS 82 -0.832 -8.400 -11.745 729 HE3 LYS 82 2HE LYS 82 -2.377 -7.549 -11.713 730 HZ1 LYS 82 3HZ LYS 82 -2.451 -9.341 -13.292 731 HZ2 LYS 82 1HZ LYS 82 -3.495 -9.692 -12.006 732 HZ3 LYS 82 2HZ LYS 82 -1.993 -10.463 -12.115 733 H VAL 83 H VAL 83 1.197 -6.132 -7.813 734 HA VAL 83 HA VAL 83 2.767 -5.074 -10.086 735 HB VAL 83 HB VAL 83 4.695 -4.881 -8.560 736 HG11 VAL 83 1HG1 VAL 83 3.905 -2.913 -7.309 737 HG12 VAL 83 2HG1 VAL 83 2.237 -3.376 -7.648 738 HG13 VAL 83 3HG1 VAL 83 3.312 -2.923 -8.971 739 HG21 VAL 83 3HG2 VAL 83 2.714 -5.613 -6.392 740 HG22 VAL 83 1HG2 VAL 83 4.356 -5.031 -6.122 741 HG23 VAL 83 2HG2 VAL 83 4.091 -6.581 -6.917 742 H THR 84 H THR 84 4.672 -6.260 -10.685 743 HA THR 84 HA THR 84 4.602 -9.141 -9.994 744 HB THR 84 HB THR 84 5.741 -9.512 -12.204 745 HG1 THR 84 HG1 THR 84 5.853 -7.819 -13.661 746 HG21 THR 84 3HG2 THR 84 3.726 -9.237 -13.575 747 HG22 THR 84 1HG2 THR 84 3.040 -8.153 -12.362 748 HG23 THR 84 2HG2 THR 84 3.316 -9.852 -11.973 749 H SER 85 H SER 85 6.920 -6.755 -11.294 750 HA SER 85 HA SER 85 9.087 -8.003 -9.748 751 HB2 SER 85 3HB SER 85 10.577 -6.532 -11.131 752 HB3 SER 85 2HB SER 85 9.145 -5.926 -11.963 753 HG SER 85 HG SER 85 9.004 -7.722 -13.066 754 HA PRO 86 HA PRO 86 9.364 -4.911 -6.591 755 HB2 PRO 86 2HB PRO 86 12.245 -4.558 -7.294 756 HB3 PRO 86 3HB PRO 86 11.501 -4.941 -5.736 757 HG2 PRO 86 3HG PRO 86 11.281 -7.197 -6.241 758 HG3 PRO 86 2HG PRO 86 12.761 -6.825 -7.147 759 HD2 PRO 86 3HD PRO 86 10.588 -7.923 -8.325 760 HD3 PRO 86 2HD PRO 86 11.654 -6.792 -9.184 761 H ASP 87 H ASP 87 11.144 -4.054 -9.571 762 HA ASP 87 HA ASP 87 11.216 -1.286 -9.192 763 HB2 ASP 87 3HB ASP 87 11.453 -1.194 -11.721 764 HB3 ASP 87 2HB ASP 87 11.261 -2.948 -11.707 765 H GLU 88 H GLU 88 8.589 -3.280 -10.394 766 HA GLU 88 HA GLU 88 6.937 -1.265 -11.445 767 HB2 GLU 88 3HB GLU 88 5.052 -2.810 -10.877 768 HB3 GLU 88 2HB GLU 88 6.183 -3.810 -9.975 769 HG2 GLU 88 3HG GLU 88 5.887 -4.853 -12.070 770 HG3 GLU 88 2HG GLU 88 7.479 -4.099 -12.110 771 H ALA 89 H ALA 89 6.840 -2.705 -8.172 772 HA ALA 89 HA ALA 89 5.111 -0.843 -7.000 773 HB1 ALA 89 3HB ALA 89 5.909 -1.683 -4.864 774 HB2 ALA 89 1HB ALA 89 7.324 -2.392 -5.644 775 HB3 ALA 89 2HB ALA 89 5.713 -3.019 -6.000 776 H LYS 90 H LYS 90 8.660 -0.839 -7.202 777 HA LYS 90 HA LYS 90 9.273 1.422 -5.720 778 HB2 LYS 90 3HB LYS 90 11.256 1.641 -7.290 779 HB3 LYS 90 2HB LYS 90 10.560 0.329 -8.231 780 HG2 LYS 90 3HG LYS 90 10.646 -1.081 -6.140 781 HG3 LYS 90 2HG LYS 90 11.582 0.215 -5.397 782 HD2 LYS 90 3HD LYS 90 12.348 -1.388 -7.844 783 HD3 LYS 90 2HD LYS 90 13.086 -1.486 -6.248 784 HE2 LYS 90 3HE LYS 90 13.932 0.771 -6.450 785 HE3 LYS 90 2HE LYS 90 13.104 0.977 -7.993 786 HZ1 LYS 90 3HZ LYS 90 14.494 -0.732 -8.951 787 HZ2 LYS 90 1HZ LYS 90 15.264 -0.989 -7.468 788 HZ3 LYS 90 2HZ LYS 90 15.458 0.483 -8.276 789 H ARG 91 H ARG 91 8.211 1.230 -9.108 790 HA ARG 91 HA ARG 91 8.391 3.999 -9.688 791 HB2 ARG 91 3HB ARG 91 6.733 1.768 -10.869 792 HB3 ARG 91 2HB ARG 91 8.187 2.505 -11.532 793 HG2 ARG 91 3HG ARG 91 7.015 4.525 -12.055 794 HG3 ARG 91 2HG ARG 91 5.584 3.987 -11.176 795 HD2 ARG 91 3HD ARG 91 5.423 2.078 -12.807 796 HD3 ARG 91 2HD ARG 91 6.681 2.882 -13.752 797 HE ARG 91 HE ARG 91 4.546 4.657 -13.161 798 HH11 ARG 91 1HH1 ARG 91 5.344 1.979 -15.184 799 HH12 ARG 91 2HH1 ARG 91 4.290 2.491 -16.455 800 HH21 ARG 91 2HH2 ARG 91 3.092 4.346 -16.236 801 HH22 ARG 91 1HH2 ARG 91 3.194 5.282 -14.788 802 H TRP 92 H TRP 92 5.573 2.004 -8.748 803 HA TRP 92 HA TRP 92 3.663 4.029 -8.786 804 HB2 TRP 92 3HB TRP 92 2.334 2.567 -7.255 805 HB3 TRP 92 2HB TRP 92 3.753 1.544 -7.054 806 HD1 TRP 92 HD1 TRP 92 3.860 -0.464 -8.665 807 HE1 TRP 92 HE1 TRP 92 2.785 -1.075 -10.928 808 HE3 TRP 92 HE3 TRP 92 1.364 3.899 -9.592 809 HZ2 TRP 92 HZ2 TRP 92 1.111 0.129 -12.839 810 HZ3 TRP 92 HZ3 TRP 92 0.051 4.085 -11.660 811 HH2 TRP 92 HH2 TRP 92 -0.071 2.240 -13.252 812 H ILE 93 H ILE 93 5.836 3.057 -6.175 813 HA ILE 93 HA ILE 93 4.773 4.734 -4.159 814 HB ILE 93 HB ILE 93 7.590 3.669 -4.491 815 HG12 ILE 93 3HG1 ILE 93 5.813 1.940 -4.317 816 HG13 ILE 93 2HG1 ILE 93 5.273 2.666 -2.806 817 HG21 ILE 93 1HG2 ILE 93 7.564 5.607 -2.995 818 HG22 ILE 93 2HG2 ILE 93 7.875 4.122 -2.099 819 HG23 ILE 93 3HG2 ILE 93 6.277 4.864 -2.045 820 HD11 ILE 93 3HD1 ILE 93 7.973 1.434 -3.286 821 HD12 ILE 93 1HD1 ILE 93 6.631 0.694 -2.415 822 HD13 ILE 93 2HD1 ILE 93 7.407 2.140 -1.773 823 H LYS 94 H LYS 94 7.409 5.278 -6.523 824 HA LYS 94 HA LYS 94 8.185 7.807 -5.558 825 HB2 LYS 94 3HB LYS 94 8.420 6.592 -8.315 826 HB3 LYS 94 2HB LYS 94 9.658 6.683 -7.068 827 HG2 LYS 94 3HG LYS 94 9.601 9.174 -7.291 828 HG3 LYS 94 2HG LYS 94 8.507 8.973 -8.658 829 HD2 LYS 94 3HD LYS 94 10.246 7.601 -9.787 830 HD3 LYS 94 2HD LYS 94 11.344 7.968 -8.456 831 HE2 LYS 94 3HE LYS 94 10.092 9.944 -10.366 832 HE3 LYS 94 2HE LYS 94 11.787 9.469 -10.302 833 HZ1 LYS 94 3HZ LYS 94 11.918 10.440 -8.076 834 HZ2 LYS 94 1HZ LYS 94 10.310 10.946 -8.191 835 HZ3 LYS 94 2HZ LYS 94 11.476 11.587 -9.233 836 H GLU 95 H GLU 95 6.052 7.068 -8.361 837 HA GLU 95 HA GLU 95 5.413 9.744 -8.923 838 HB2 GLU 95 3HB GLU 95 4.993 8.063 -10.587 839 HB3 GLU 95 2HB GLU 95 3.464 8.830 -10.185 840 HG2 GLU 95 3HG GLU 95 2.938 6.906 -8.710 841 HG3 GLU 95 2HG GLU 95 4.420 6.126 -9.261 842 H PHE 96 H PHE 96 3.997 7.493 -6.640 843 HA PHE 96 HA PHE 96 1.697 8.950 -5.928 844 HB2 PHE 96 3HB PHE 96 3.434 7.144 -4.219 845 HB3 PHE 96 2HB PHE 96 2.085 6.631 -5.224 846 HD1 PHE 96 HD1 PHE 96 3.053 7.503 -1.969 847 HD2 PHE 96 HD2 PHE 96 -0.214 7.813 -4.688 848 HE1 PHE 96 HE1 PHE 96 1.510 7.812 -0.080 849 HE2 PHE 96 HE2 PHE 96 -1.757 8.126 -2.799 850 HZ PHE 96 HZ PHE 96 -0.895 8.123 -0.495 851 H SER 97 H SER 97 5.035 9.136 -4.746 852 HA SER 97 HA SER 97 4.536 11.123 -2.753 853 HB2 SER 97 3HB SER 97 7.135 10.358 -4.122 854 HB3 SER 97 2HB SER 97 6.502 9.648 -2.640 855 HG SER 97 HG SER 97 7.465 11.198 -1.621 856 H GLU 98 H GLU 98 5.526 11.249 -6.144 857 HA GLU 98 HA GLU 98 6.227 13.992 -6.228 858 HB2 GLU 98 3HB GLU 98 6.196 13.785 -8.618 859 HB3 GLU 98 2HB GLU 98 5.132 12.389 -8.547 860 HG2 GLU 98 3HG GLU 98 7.361 11.684 -9.103 861 HG3 GLU 98 2HG GLU 98 6.925 11.074 -7.513 862 H GLU 99 H GLU 99 3.140 12.328 -6.599 863 HA GLU 99 HA GLU 99 1.665 14.599 -7.508 864 HB2 GLU 99 3HB GLU 99 -0.346 13.248 -6.879 865 HB3 GLU 99 2HB GLU 99 0.731 12.037 -6.198 866 HG2 GLU 99 3HG GLU 99 -0.034 11.396 -8.416 867 HG3 GLU 99 2HG GLU 99 1.710 11.640 -8.388 868 H GLY 100 H GLY 100 2.681 13.531 -4.365 869 HA2 GLY 100 3HA GLY 100 2.275 15.971 -3.124 870 HA3 GLY 100 2HA GLY 100 2.454 14.453 -2.271 871 H GLY 101 H GLY 101 -0.069 13.386 -3.495 872 HA2 GLY 101 3HA GLY 101 -1.865 14.183 -1.446 873 HA3 GLY 101 2HA GLY 101 -2.266 13.183 -2.832 874 H SER 102 H SER 102 -1.365 15.402 -4.675 875 HA SER 102 HA SER 102 -3.908 16.873 -4.660 876 HB2 SER 102 3HB SER 102 -2.741 19.019 -5.133 877 HB3 SER 102 2HB SER 102 -1.195 18.219 -4.855 878 HG SER 102 HG SER 102 -1.779 17.883 -2.713 879 H LEU 103 H LEU 103 -4.725 17.260 -6.691 880 HA LEU 103 HA LEU 103 -3.667 15.643 -8.787 881 HB2 LEU 103 3HB LEU 103 -5.573 16.514 -10.112 882 HB3 LEU 103 2HB LEU 103 -5.927 17.643 -8.817 883 HG LEU 103 HG LEU 103 -6.395 15.754 -7.300 884 HD11 LEU 103 1HD1 LEU 103 -8.485 15.013 -8.347 885 HD12 LEU 103 2HD1 LEU 103 -7.938 15.666 -9.893 886 HD13 LEU 103 3HD1 LEU 103 -8.233 16.749 -8.532 887 HD21 LEU 103 3HD2 LEU 103 -6.575 13.473 -8.201 888 HD22 LEU 103 1HD2 LEU 103 -4.920 14.081 -8.272 889 HD23 LEU 103 2HD2 LEU 103 -5.905 14.031 -9.736 890 H GLU 104 H GLU 104 -3.999 19.211 -8.530 891 HA GLU 104 HA GLU 104 -2.210 19.428 -10.879 892 HB2 GLU 104 3HB GLU 104 -4.416 20.096 -11.541 893 HB3 GLU 104 2HB GLU 104 -3.408 21.533 -11.453 894 HG2 GLU 104 3HG GLU 104 -4.381 22.055 -9.247 895 HG3 GLU 104 2HG GLU 104 -5.428 20.646 -9.398 896 H HIS 105 H HIS 105 -3.131 21.004 -7.822 897 HA HIS 105 HA HIS 105 -1.228 23.125 -8.109 898 HB2 HIS 105 3HB HIS 105 -1.895 23.773 -5.848 899 HB3 HIS 105 2HB HIS 105 -2.715 22.230 -5.628 900 HD1 HIS 105 HD1 HIS 105 -5.147 22.668 -5.674 901 HD2 HIS 105 HD2 HIS 105 -3.132 24.910 -8.531 902 HE1 HIS 105 HE1 HIS 105 -6.930 23.877 -6.960 903 HE2 HIS 105 HE2 HIS 105 -5.698 25.061 -8.802 904 H HIS 106 H HIS 106 -0.662 19.931 -7.474 905 HA HIS 106 HA HIS 106 1.181 20.086 -5.310 906 HB2 HIS 106 3HB HIS 106 0.079 17.972 -6.029 907 HB3 HIS 106 2HB HIS 106 1.822 17.828 -5.863 908 HD1 HIS 106 HD1 HIS 106 2.846 16.515 -7.662 909 HD2 HIS 106 HD2 HIS 106 -0.556 18.503 -8.983 910 HE1 HIS 106 HE1 HIS 106 2.564 15.841 -10.058 911 HE2 HIS 106 HE2 HIS 106 0.608 17.188 -10.882 912 H HIS 107 H HIS 107 2.943 21.334 -5.400 913 HA HIS 107 HA HIS 107 4.717 21.071 -7.749 914 HB2 HIS 107 3HB HIS 107 5.391 23.446 -7.393 915 HB3 HIS 107 2HB HIS 107 4.134 23.589 -6.169 916 HD1 HIS 107 HD1 HIS 107 1.783 24.093 -6.978 917 HD2 HIS 107 HD2 HIS 107 4.383 23.078 -10.063 918 HE1 HIS 107 HE1 HIS 107 0.525 24.549 -9.104 919 HE2 HIS 107 HE2 HIS 107 2.114 23.935 -10.953 920 H HIS 108 H HIS 108 4.938 22.587 -4.506 921 HA HIS 108 HA HIS 108 7.614 21.488 -4.207 922 HB2 HIS 108 3HB HIS 108 6.011 23.303 -2.389 923 HB3 HIS 108 2HB HIS 108 7.268 23.798 -3.518 924 HD1 HIS 108 HD1 HIS 108 9.756 23.080 -2.886 925 HD2 HIS 108 HD2 HIS 108 6.911 22.476 0.087 926 HE1 HIS 108 HE1 HIS 108 11.054 22.694 -0.774 927 HE2 HIS 108 HE2 HIS 108 9.319 22.347 1.011 928 H HIS 109 H HIS 109 7.477 19.322 -3.836 929 HA HIS 109 HA HIS 109 5.772 18.268 -1.719 930 HB2 HIS 109 3HB HIS 109 6.152 16.961 -3.807 931 HB3 HIS 109 2HB HIS 109 6.629 16.079 -2.360 932 HD1 HIS 109 HD1 HIS 109 9.185 15.679 -1.998 933 HD2 HIS 109 HD2 HIS 109 8.226 17.559 -5.577 934 HE1 HIS 109 HE1 HIS 109 11.274 15.590 -3.380 935 HE2 HIS 109 HE2 HIS 109 10.732 16.931 -5.438 936 H HIS 110 H HIS 110 6.785 16.824 -0.033 937 HA HIS 110 HA HIS 110 8.977 18.101 1.298 938 HB2 HIS 110 3HB HIS 110 7.588 15.470 1.865 939 HB3 HIS 110 2HB HIS 110 7.232 17.024 2.612 940 HD1 HIS 110 HD1 HIS 110 8.625 14.066 3.605 941 HD2 HIS 110 HD2 HIS 110 10.068 17.959 3.740 942 HE1 HIS 110 HE1 HIS 110 10.394 14.064 5.379 943 HE2 HIS 110 HE2 HIS 110 11.369 16.376 5.324 Start of MODEL 4 1 H1 MET 1 1H MET 1 0.060 17.240 5.196 2 H2 MET 1 2H MET 1 -0.528 18.052 3.838 3 H3 MET 1 3H MET 1 0.941 17.220 3.751 4 HA MET 1 HA MET 1 -1.749 16.016 4.139 5 HB2 MET 1 3HB MET 1 0.108 15.504 1.820 6 HB3 MET 1 2HB MET 1 -0.920 16.930 1.820 7 HG2 MET 1 3HG MET 1 -1.927 14.106 2.086 8 HG3 MET 1 2HG MET 1 -1.875 15.029 0.580 9 HE1 MET 1 3HE MET 1 -4.554 13.706 1.653 10 HE2 MET 1 1HE MET 1 -4.465 14.672 0.183 11 HE3 MET 1 2HE MET 1 -5.703 15.018 1.390 12 H LEU 2 H LEU 2 -1.771 13.709 4.442 13 HA LEU 2 HA LEU 2 0.843 12.586 5.263 14 HB2 LEU 2 3HB LEU 2 -0.387 11.011 6.670 15 HB3 LEU 2 2HB LEU 2 -1.913 11.679 6.120 16 HG LEU 2 HG LEU 2 0.023 13.538 7.432 17 HD11 LEU 2 1HD1 LEU 2 -2.078 14.377 6.519 18 HD12 LEU 2 2HD1 LEU 2 -2.011 14.567 8.271 19 HD13 LEU 2 3HD1 LEU 2 -2.977 13.272 7.560 20 HD21 LEU 2 3HD2 LEU 2 0.108 11.594 8.892 21 HD22 LEU 2 1HD2 LEU 2 -1.652 11.554 8.968 22 HD23 LEU 2 2HD2 LEU 2 -0.769 12.916 9.659 23 H LEU 3 H LEU 3 1.548 10.643 4.466 24 HA LEU 3 HA LEU 3 -0.086 9.354 2.374 25 HB2 LEU 3 3HB LEU 3 1.906 9.260 0.914 26 HB3 LEU 3 2HB LEU 3 2.808 10.187 2.098 27 HG LEU 3 HG LEU 3 1.211 12.087 1.746 28 HD11 LEU 3 1HD1 LEU 3 3.364 12.042 0.602 29 HD12 LEU 3 2HD1 LEU 3 2.121 12.778 -0.409 30 HD13 LEU 3 3HD1 LEU 3 2.651 11.125 -0.726 31 HD21 LEU 3 3HD2 LEU 3 0.196 10.367 -0.518 32 HD22 LEU 3 1HD2 LEU 3 -0.204 12.065 -0.258 33 HD23 LEU 3 2HD2 LEU 3 -0.706 10.852 0.919 34 H TYR 4 H TYR 4 -0.251 7.240 2.783 35 HA TYR 4 HA TYR 4 1.963 5.836 4.158 36 HB2 TYR 4 3HB TYR 4 0.089 4.265 4.968 37 HB3 TYR 4 2HB TYR 4 -1.025 5.526 4.461 38 HD1 TYR 4 HD1 TYR 4 -0.436 7.953 5.437 39 HD2 TYR 4 HD2 TYR 4 0.779 4.257 7.169 40 HE1 TYR 4 HE1 TYR 4 -0.180 9.061 7.618 41 HE2 TYR 4 HE2 TYR 4 1.040 5.358 9.347 42 HH TYR 4 HH TYR 4 1.503 7.734 10.150 43 H VAL 5 H VAL 5 2.221 3.548 3.647 44 HA VAL 5 HA VAL 5 1.102 2.744 1.030 45 HB VAL 5 HB VAL 5 3.993 2.380 1.873 46 HG11 VAL 5 1HG1 VAL 5 4.333 1.482 -0.389 47 HG12 VAL 5 2HG1 VAL 5 2.602 1.615 -0.702 48 HG13 VAL 5 3HG1 VAL 5 3.192 0.502 0.532 49 HG21 VAL 5 3HG2 VAL 5 3.534 4.695 1.258 50 HG22 VAL 5 1HG2 VAL 5 2.796 4.165 -0.255 51 HG23 VAL 5 2HG2 VAL 5 4.520 3.914 0.021 52 H LEU 6 H LEU 6 0.297 0.719 0.976 53 HA LEU 6 HA LEU 6 1.030 -1.193 3.107 54 HB2 LEU 6 3HB LEU 6 -1.152 -2.321 2.530 55 HB3 LEU 6 2HB LEU 6 -1.508 -0.964 1.476 56 HG LEU 6 HG LEU 6 -1.477 0.552 3.425 57 HD11 LEU 6 1HD1 LEU 6 -3.321 -1.818 3.757 58 HD12 LEU 6 2HD1 LEU 6 -3.588 -0.435 2.695 59 HD13 LEU 6 3HD1 LEU 6 -3.559 -0.209 4.443 60 HD21 LEU 6 3HD2 LEU 6 -1.416 -0.369 5.687 61 HD22 LEU 6 1HD2 LEU 6 0.090 -0.686 4.826 62 HD23 LEU 6 2HD2 LEU 6 -1.096 -1.977 5.033 63 H ILE 7 H ILE 7 2.322 -2.817 2.427 64 HA ILE 7 HA ILE 7 2.242 -3.537 -0.436 65 HB ILE 7 HB ILE 7 4.413 -2.699 0.268 66 HG12 ILE 7 3HG1 ILE 7 4.324 -4.467 -1.452 67 HG13 ILE 7 2HG1 ILE 7 4.476 -5.696 -0.200 68 HG21 ILE 7 1HG2 ILE 7 4.294 -3.260 2.644 69 HG22 ILE 7 2HG2 ILE 7 5.789 -3.855 1.921 70 HG23 ILE 7 3HG2 ILE 7 4.465 -4.973 2.256 71 HD11 ILE 7 3HD1 ILE 7 6.533 -3.616 -0.893 72 HD12 ILE 7 1HD1 ILE 7 6.588 -5.327 -1.314 73 HD13 ILE 7 2HD1 ILE 7 6.687 -4.833 0.376 74 H ILE 8 H ILE 8 1.405 -5.425 -0.981 75 HA ILE 8 HA ILE 8 1.436 -7.670 0.944 76 HB ILE 8 HB ILE 8 -0.509 -7.229 -1.345 77 HG12 ILE 8 3HG1 ILE 8 -0.810 -5.603 0.515 78 HG13 ILE 8 2HG1 ILE 8 -0.981 -6.949 1.637 79 HG21 ILE 8 1HG2 ILE 8 -1.748 -9.111 -0.377 80 HG22 ILE 8 2HG2 ILE 8 -0.495 -9.307 0.850 81 HG23 ILE 8 3HG2 ILE 8 -0.117 -9.592 -0.849 82 HD11 ILE 8 3HD1 ILE 8 -3.135 -6.020 1.050 83 HD12 ILE 8 1HD1 ILE 8 -2.993 -7.677 0.466 84 HD13 ILE 8 2HD1 ILE 8 -2.820 -6.327 -0.656 85 H SER 9 H SER 9 3.216 -8.822 0.370 86 HA SER 9 HA SER 9 3.239 -10.203 -2.153 87 HB2 SER 9 3HB SER 9 5.479 -8.238 -1.571 88 HB3 SER 9 2HB SER 9 4.310 -8.133 -2.890 89 HG SER 9 HG SER 9 5.889 -9.140 -3.903 90 H ASN 10 H ASN 10 5.131 -11.688 -2.330 91 HA ASN 10 HA ASN 10 6.129 -12.510 0.326 92 HB2 ASN 10 3HB ASN 10 6.158 -14.857 -0.650 93 HB3 ASN 10 2HB ASN 10 5.234 -14.217 -2.007 94 HD21 ASN 10 2HD2 ASN 10 2.378 -15.083 -0.219 95 HD22 ASN 10 1HD2 ASN 10 3.364 -15.347 -1.612 96 H ASP 11 H ASP 11 7.102 -11.095 -2.444 97 HA ASP 11 HA ASP 11 9.629 -12.531 -2.751 98 HB2 ASP 11 3HB ASP 11 8.691 -10.018 -4.163 99 HB3 ASP 11 2HB ASP 11 8.382 -11.654 -4.739 100 H LYS 12 H LYS 12 11.369 -12.037 -1.579 101 HA LYS 12 HA LYS 12 11.355 -10.029 0.397 102 HB2 LYS 12 3HB LYS 12 13.727 -10.688 0.767 103 HB3 LYS 12 2HB LYS 12 13.660 -11.656 -0.702 104 HG2 LYS 12 3HG LYS 12 13.372 -13.078 1.224 105 HG3 LYS 12 2HG LYS 12 11.866 -13.018 0.304 106 HD2 LYS 12 3HD LYS 12 11.077 -11.231 1.894 107 HD3 LYS 12 2HD LYS 12 12.508 -11.563 2.871 108 HE2 LYS 12 3HE LYS 12 10.326 -13.529 2.176 109 HE3 LYS 12 2HE LYS 12 10.569 -12.753 3.740 110 HZ1 LYS 12 3HZ LYS 12 12.423 -14.665 2.426 111 HZ2 LYS 12 1HZ LYS 12 11.450 -14.969 3.776 112 HZ3 LYS 12 2HZ LYS 12 12.730 -13.869 3.887 113 H LYS 13 H LYS 13 12.940 -10.138 -2.777 114 HA LYS 13 HA LYS 13 14.456 -7.766 -2.504 115 HB2 LYS 13 3HB LYS 13 14.576 -7.815 -4.992 116 HB3 LYS 13 2HB LYS 13 13.370 -9.095 -4.999 117 HG2 LYS 13 3HG LYS 13 15.496 -10.115 -5.281 118 HG3 LYS 13 2HG LYS 13 14.943 -10.489 -3.648 119 HD2 LYS 13 3HD LYS 13 17.284 -9.914 -3.572 120 HD3 LYS 13 2HD LYS 13 16.357 -8.639 -2.781 121 HE2 LYS 13 3HE LYS 13 18.093 -7.682 -4.201 122 HE3 LYS 13 2HE LYS 13 16.494 -7.276 -4.819 123 HZ1 LYS 13 3HZ LYS 13 18.207 -9.468 -5.862 124 HZ2 LYS 13 1HZ LYS 13 18.031 -7.947 -6.581 125 HZ3 LYS 13 2HZ LYS 13 16.708 -8.993 -6.481 126 H LEU 14 H LEU 14 11.221 -8.368 -3.816 127 HA LEU 14 HA LEU 14 10.634 -5.771 -4.700 128 HB2 LEU 14 3HB LEU 14 8.677 -7.800 -3.599 129 HB3 LEU 14 2HB LEU 14 9.379 -7.901 -5.198 130 HG LEU 14 HG LEU 14 8.318 -5.558 -5.587 131 HD11 LEU 14 1HD1 LEU 14 6.560 -8.001 -5.320 132 HD12 LEU 14 2HD1 LEU 14 7.595 -7.618 -6.697 133 HD13 LEU 14 3HD1 LEU 14 6.227 -6.578 -6.308 134 HD21 LEU 14 3HD2 LEU 14 6.271 -5.154 -4.296 135 HD22 LEU 14 1HD2 LEU 14 7.704 -5.090 -3.269 136 HD23 LEU 14 2HD2 LEU 14 6.664 -6.515 -3.244 137 H ILE 15 H ILE 15 10.034 -7.321 -1.551 138 HA ILE 15 HA ILE 15 8.764 -5.148 -0.300 139 HB ILE 15 HB ILE 15 10.457 -7.328 0.944 140 HG12 ILE 15 3HG1 ILE 15 8.475 -8.119 -0.341 141 HG13 ILE 15 2HG1 ILE 15 7.445 -7.100 0.657 142 HG21 ILE 15 1HG2 ILE 15 8.493 -5.446 2.269 143 HG22 ILE 15 2HG2 ILE 15 10.246 -5.414 2.459 144 HG23 ILE 15 3HG2 ILE 15 9.319 -6.792 3.052 145 HD11 ILE 15 3HD1 ILE 15 9.113 -9.401 1.643 146 HD12 ILE 15 1HD1 ILE 15 7.370 -9.418 1.373 147 HD13 ILE 15 2HD1 ILE 15 8.057 -8.385 2.627 148 H GLU 16 H GLU 16 12.224 -6.091 -0.239 149 HA GLU 16 HA GLU 16 13.093 -3.985 1.404 150 HB2 GLU 16 3HB GLU 16 15.364 -4.448 0.438 151 HB3 GLU 16 2HB GLU 16 14.603 -5.560 -0.692 152 HG2 GLU 16 3HG GLU 16 13.899 -6.998 1.098 153 HG3 GLU 16 2HG GLU 16 14.433 -5.829 2.305 154 H GLU 17 H GLU 17 13.223 -4.210 -2.167 155 HA GLU 17 HA GLU 17 14.262 -1.671 -2.674 156 HB2 GLU 17 3HB GLU 17 13.119 -1.900 -4.919 157 HB3 GLU 17 2HB GLU 17 12.380 -3.374 -4.316 158 HG2 GLU 17 3HG GLU 17 14.259 -4.004 -5.619 159 HG3 GLU 17 2HG GLU 17 14.677 -4.281 -3.931 160 H ALA 18 H ALA 18 10.901 -2.655 -2.143 161 HA ALA 18 HA ALA 18 9.669 -0.190 -2.753 162 HB1 ALA 18 3HB ALA 18 8.421 -2.287 -2.547 163 HB2 ALA 18 1HB ALA 18 7.748 -1.037 -1.500 164 HB3 ALA 18 2HB ALA 18 8.748 -2.319 -0.814 165 H ARG 19 H ARG 19 10.739 -1.521 0.392 166 HA ARG 19 HA ARG 19 9.978 0.641 2.004 167 HB2 ARG 19 3HB ARG 19 11.648 -0.171 3.630 168 HB3 ARG 19 2HB ARG 19 12.351 -1.203 2.392 169 HG2 ARG 19 3HG ARG 19 10.288 -2.491 2.263 170 HG3 ARG 19 2HG ARG 19 9.543 -1.439 3.468 171 HD2 ARG 19 3HD ARG 19 10.390 -3.594 4.392 172 HD3 ARG 19 2HD ARG 19 11.085 -2.165 5.156 173 HE ARG 19 HE ARG 19 12.914 -2.723 3.282 174 HH11 ARG 19 1HH1 ARG 19 11.380 -4.731 5.626 175 HH12 ARG 19 2HH1 ARG 19 12.734 -5.802 5.740 176 HH21 ARG 19 2HH2 ARG 19 14.580 -5.406 4.562 177 HH22 ARG 19 1HH2 ARG 19 14.643 -4.062 3.475 178 H LYS 20 H LYS 20 13.022 0.072 0.257 179 HA LYS 20 HA LYS 20 14.511 2.230 1.197 180 HB2 LYS 20 3HB LYS 20 15.780 2.057 -0.921 181 HB3 LYS 20 2HB LYS 20 14.515 1.027 -1.581 182 HG2 LYS 20 3HG LYS 20 14.967 -0.588 0.276 183 HG3 LYS 20 2HG LYS 20 16.347 0.411 0.732 184 HD2 LYS 20 3HD LYS 20 17.379 0.045 -1.431 185 HD3 LYS 20 2HD LYS 20 15.970 -0.867 -1.977 186 HE2 LYS 20 3HE LYS 20 16.387 -2.537 -0.215 187 HE3 LYS 20 2HE LYS 20 17.824 -1.640 0.276 188 HZ1 LYS 20 3HZ LYS 20 18.414 -3.476 -1.150 189 HZ2 LYS 20 1HZ LYS 20 18.752 -2.014 -1.933 190 HZ3 LYS 20 2HZ LYS 20 17.389 -2.908 -2.374 191 H MET 21 H MET 21 12.425 2.130 -1.706 192 HA MET 21 HA MET 21 12.642 4.839 -2.408 193 HB2 MET 21 3HB MET 21 10.355 4.447 -3.493 194 HB3 MET 21 2HB MET 21 10.444 2.814 -2.847 195 HG2 MET 21 3HG MET 21 11.165 2.827 -5.149 196 HG3 MET 21 2HG MET 21 12.532 2.451 -4.100 197 HE1 MET 21 3HE MET 21 10.731 5.365 -6.072 198 HE2 MET 21 1HE MET 21 11.881 6.680 -5.827 199 HE3 MET 21 2HE MET 21 10.996 6.014 -4.452 200 H ALA 22 H ALA 22 10.359 3.216 -0.227 201 HA ALA 22 HA ALA 22 8.731 5.430 0.353 202 HB1 ALA 22 3HB ALA 22 9.380 3.072 2.131 203 HB2 ALA 22 1HB ALA 22 8.107 3.129 0.911 204 HB3 ALA 22 2HB ALA 22 8.016 4.174 2.329 205 H GLU 23 H GLU 23 11.685 4.264 1.964 206 HA GLU 23 HA GLU 23 11.708 6.108 4.089 207 HB2 GLU 23 3HB GLU 23 14.132 5.571 4.254 208 HB3 GLU 23 2HB GLU 23 14.027 4.731 2.713 209 HG2 GLU 23 3HG GLU 23 13.974 3.126 4.498 210 HG3 GLU 23 2HG GLU 23 12.400 3.162 3.706 211 H LYS 24 H LYS 24 13.244 6.284 0.877 212 HA LYS 24 HA LYS 24 14.465 8.804 1.189 213 HB2 LYS 24 3HB LYS 24 14.114 8.837 -1.432 214 HB3 LYS 24 2HB LYS 24 13.603 7.175 -1.179 215 HG2 LYS 24 3HG LYS 24 16.293 8.367 -0.531 216 HG3 LYS 24 2HG LYS 24 15.919 7.194 -1.789 217 HD2 LYS 24 3HD LYS 24 15.304 5.550 -0.068 218 HD3 LYS 24 2HD LYS 24 15.713 6.721 1.186 219 HE2 LYS 24 3HE LYS 24 18.034 6.784 0.321 220 HE3 LYS 24 2HE LYS 24 17.608 5.530 -0.842 221 HZ1 LYS 24 3HZ LYS 24 17.006 4.104 1.080 222 HZ2 LYS 24 1HZ LYS 24 17.625 5.290 2.115 223 HZ3 LYS 24 2HZ LYS 24 18.646 4.503 1.020 224 H ALA 25 H ALA 25 11.212 7.921 0.096 225 HA ALA 25 HA ALA 25 10.456 10.704 -0.307 226 HB1 ALA 25 3HB ALA 25 8.822 8.178 -0.552 227 HB2 ALA 25 1HB ALA 25 9.652 9.009 -1.868 228 HB3 ALA 25 2HB ALA 25 8.305 9.794 -1.040 229 H ASN 26 H ASN 26 10.817 8.882 2.375 230 HA ASN 26 HA ASN 26 10.165 9.052 4.540 231 HB2 ASN 26 3HB ASN 26 9.175 11.186 5.296 232 HB3 ASN 26 2HB ASN 26 8.907 11.646 3.617 233 HD21 ASN 26 2HD2 ASN 26 12.862 11.218 4.418 234 HD22 ASN 26 1HD2 ASN 26 11.762 9.912 4.656 235 H LEU 27 H LEU 27 8.339 7.811 2.498 236 HA LEU 27 HA LEU 27 5.670 8.200 3.543 237 HB2 LEU 27 3HB LEU 27 5.010 6.477 1.947 238 HB3 LEU 27 2HB LEU 27 6.691 6.082 1.640 239 HG LEU 27 HG LEU 27 7.049 8.254 0.594 240 HD11 LEU 27 1HD1 LEU 27 4.585 6.893 -0.497 241 HD12 LEU 27 2HD1 LEU 27 6.255 6.421 -0.810 242 HD13 LEU 27 3HD1 LEU 27 5.656 7.976 -1.387 243 HD21 LEU 27 3HD2 LEU 27 5.528 9.600 1.933 244 HD22 LEU 27 1HD2 LEU 27 4.141 8.790 1.206 245 HD23 LEU 27 2HD2 LEU 27 5.188 9.807 0.217 246 H GLU 28 H GLU 28 4.567 6.898 4.940 247 HA GLU 28 HA GLU 28 6.118 5.015 6.520 248 HB2 GLU 28 3HB GLU 28 4.056 4.941 7.942 249 HB3 GLU 28 2HB GLU 28 3.277 6.027 6.798 250 HG2 GLU 28 3HG GLU 28 5.109 7.681 7.251 251 HG3 GLU 28 2HG GLU 28 5.672 6.612 8.534 252 H LEU 29 H LEU 29 6.362 3.019 5.739 253 HA LEU 29 HA LEU 29 4.228 1.812 4.120 254 HB2 LEU 29 3HB LEU 29 7.142 1.046 4.402 255 HB3 LEU 29 2HB LEU 29 6.485 2.070 3.146 256 HG LEU 29 HG LEU 29 5.001 -0.053 2.600 257 HD11 LEU 29 1HD1 LEU 29 7.935 0.127 1.893 258 HD12 LEU 29 2HD1 LEU 29 6.615 0.959 1.073 259 HD13 LEU 29 3HD1 LEU 29 6.715 -0.799 1.016 260 HD21 LEU 29 3HD2 LEU 29 5.735 -1.392 4.517 261 HD22 LEU 29 1HD2 LEU 29 7.405 -1.292 3.959 262 HD23 LEU 29 2HD2 LEU 29 6.202 -2.155 2.998 263 H ARG 30 H ARG 30 3.158 0.012 4.708 264 HA ARG 30 HA ARG 30 4.038 -1.512 7.089 265 HB2 ARG 30 3HB ARG 30 1.708 -1.868 7.687 266 HB3 ARG 30 2HB ARG 30 1.168 -1.028 6.246 267 HG2 ARG 30 3HG ARG 30 0.839 0.409 8.111 268 HG3 ARG 30 2HG ARG 30 2.158 1.065 7.143 269 HD2 ARG 30 3HD ARG 30 3.790 0.403 8.702 270 HD3 ARG 30 2HD ARG 30 2.678 -0.698 9.522 271 HE ARG 30 HE ARG 30 1.439 1.484 10.092 272 HH11 ARG 30 1HH1 ARG 30 4.876 1.235 9.832 273 HH12 ARG 30 2HH1 ARG 30 5.149 2.460 11.022 274 HH21 ARG 30 2HH2 ARG 30 3.433 3.462 12.002 275 HH22 ARG 30 1HH2 ARG 30 1.807 3.021 11.599 276 H THR 31 H THR 31 3.614 -3.800 7.035 277 HA THR 31 HA THR 31 3.291 -4.888 4.319 278 HB THR 31 HB THR 31 4.218 -6.997 5.243 279 HG1 THR 31 HG1 THR 31 3.700 -6.921 7.395 280 HG21 THR 31 3HG2 THR 31 5.747 -5.376 4.234 281 HG22 THR 31 1HG2 THR 31 6.523 -6.198 5.589 282 HG23 THR 31 2HG2 THR 31 5.920 -4.550 5.784 283 H VAL 32 H VAL 32 1.598 -6.154 3.748 284 HA VAL 32 HA VAL 32 -0.227 -7.148 5.861 285 HB VAL 32 HB VAL 32 -1.026 -6.032 3.156 286 HG11 VAL 32 1HG1 VAL 32 -3.342 -6.423 3.873 287 HG12 VAL 32 2HG1 VAL 32 -2.758 -7.185 5.353 288 HG13 VAL 32 3HG1 VAL 32 -2.433 -7.932 3.788 289 HG21 VAL 32 3HG2 VAL 32 -2.146 -4.269 4.397 290 HG22 VAL 32 1HG2 VAL 32 -0.429 -4.300 4.801 291 HG23 VAL 32 2HG2 VAL 32 -1.614 -4.973 5.923 292 H LYS 33 H LYS 33 -0.983 -9.247 5.615 293 HA LYS 33 HA LYS 33 -0.176 -10.682 3.153 294 HB2 LYS 33 3HB LYS 33 0.299 -12.611 4.363 295 HB3 LYS 33 2HB LYS 33 -0.724 -12.148 5.715 296 HG2 LYS 33 3HG LYS 33 0.908 -10.518 6.445 297 HG3 LYS 33 2HG LYS 33 1.924 -10.872 5.044 298 HD2 LYS 33 3HD LYS 33 2.587 -12.928 5.866 299 HD3 LYS 33 2HD LYS 33 1.141 -13.115 6.862 300 HE2 LYS 33 3HE LYS 33 3.306 -11.091 7.430 301 HE3 LYS 33 2HE LYS 33 3.261 -12.704 8.144 302 HZ1 LYS 33 3HZ LYS 33 1.146 -12.189 9.149 303 HZ2 LYS 33 1HZ LYS 33 1.123 -10.659 8.425 304 HZ3 LYS 33 2HZ LYS 33 2.285 -11.026 9.599 305 H THR 34 H THR 34 -2.579 -10.845 5.804 306 HA THR 34 HA THR 34 -4.435 -12.236 3.987 307 HB THR 34 HB THR 34 -5.675 -12.878 6.024 308 HG1 THR 34 HG1 THR 34 -3.540 -11.817 7.565 309 HG21 THR 34 3HG2 THR 34 -2.713 -13.491 6.153 310 HG22 THR 34 1HG2 THR 34 -3.916 -14.369 5.207 311 HG23 THR 34 2HG2 THR 34 -3.985 -14.401 6.970 312 H GLU 35 H GLU 35 -6.812 -11.892 4.668 313 HA GLU 35 HA GLU 35 -7.673 -9.385 3.789 314 HB2 GLU 35 3HB GLU 35 -9.166 -11.492 5.378 315 HB3 GLU 35 2HB GLU 35 -8.965 -11.485 3.636 316 HG2 GLU 35 3HG GLU 35 -10.364 -9.250 5.068 317 HG3 GLU 35 2HG GLU 35 -11.202 -10.718 4.572 318 H ASP 36 H ASP 36 -7.741 -10.728 7.111 319 HA ASP 36 HA ASP 36 -8.955 -8.459 8.279 320 HB2 ASP 36 3HB ASP 36 -7.248 -10.557 9.641 321 HB3 ASP 36 2HB ASP 36 -8.967 -10.718 9.299 322 H GLU 37 H GLU 37 -5.555 -9.313 7.801 323 HA GLU 37 HA GLU 37 -4.397 -7.309 9.395 324 HB2 GLU 37 3HB GLU 37 -2.427 -7.525 7.779 325 HB3 GLU 37 2HB GLU 37 -3.406 -8.688 6.897 326 HG2 GLU 37 3HG GLU 37 -3.535 -10.091 8.915 327 HG3 GLU 37 2HG GLU 37 -2.513 -8.935 9.770 328 H LEU 38 H LEU 38 -5.318 -7.230 5.943 329 HA LEU 38 HA LEU 38 -4.418 -4.705 5.256 330 HB2 LEU 38 3HB LEU 38 -7.079 -5.798 4.334 331 HB3 LEU 38 2HB LEU 38 -5.569 -6.529 3.837 332 HG LEU 38 HG LEU 38 -6.280 -5.124 2.060 333 HD11 LEU 38 1HD1 LEU 38 -7.865 -3.727 3.272 334 HD12 LEU 38 2HD1 LEU 38 -6.773 -2.755 2.288 335 HD13 LEU 38 3HD1 LEU 38 -6.532 -2.859 4.032 336 HD21 LEU 38 3HD2 LEU 38 -4.452 -3.528 1.857 337 HD22 LEU 38 1HD2 LEU 38 -3.886 -5.057 2.529 338 HD23 LEU 38 2HD2 LEU 38 -4.124 -3.664 3.585 339 H LYS 39 H LYS 39 -7.631 -5.532 6.574 340 HA LYS 39 HA LYS 39 -8.554 -2.903 6.991 341 HB2 LYS 39 3HB LYS 39 -9.213 -5.461 8.478 342 HB3 LYS 39 2HB LYS 39 -10.039 -4.843 7.052 343 HG2 LYS 39 3HG LYS 39 -10.888 -2.957 8.298 344 HG3 LYS 39 2HG LYS 39 -9.965 -3.436 9.723 345 HD2 LYS 39 3HD LYS 39 -12.150 -5.083 8.436 346 HD3 LYS 39 2HD LYS 39 -12.354 -4.074 9.870 347 HE2 LYS 39 3HE LYS 39 -10.423 -6.390 9.657 348 HE3 LYS 39 2HE LYS 39 -12.019 -6.477 10.400 349 HZ1 LYS 39 3HZ LYS 39 -9.876 -4.634 11.313 350 HZ2 LYS 39 1HZ LYS 39 -10.179 -6.149 11.998 351 HZ3 LYS 39 2HZ LYS 39 -11.354 -4.939 12.072 352 H LYS 40 H LYS 40 -6.755 -5.097 9.105 353 HA LYS 40 HA LYS 40 -6.880 -3.715 11.505 354 HB2 LYS 40 3HB LYS 40 -4.611 -5.401 10.429 355 HB3 LYS 40 2HB LYS 40 -6.040 -6.007 11.253 356 HG2 LYS 40 3HG LYS 40 -5.359 -4.790 13.288 357 HG3 LYS 40 2HG LYS 40 -3.889 -4.270 12.457 358 HD2 LYS 40 3HD LYS 40 -3.237 -6.623 12.150 359 HD3 LYS 40 2HD LYS 40 -4.700 -7.135 12.993 360 HE2 LYS 40 3HE LYS 40 -3.936 -5.984 15.021 361 HE3 LYS 40 2HE LYS 40 -2.466 -5.485 14.181 362 HZ1 LYS 40 3HZ LYS 40 -3.294 -8.282 14.737 363 HZ2 LYS 40 1HZ LYS 40 -2.053 -7.438 15.517 364 HZ3 LYS 40 2HZ LYS 40 -1.910 -7.831 13.880 365 H TYR 41 H TYR 41 -4.566 -3.277 8.833 366 HA TYR 41 HA TYR 41 -3.102 -1.220 10.231 367 HB2 TYR 41 3HB TYR 41 -1.989 -0.859 8.010 368 HB3 TYR 41 2HB TYR 41 -3.050 -2.088 7.330 369 HD1 TYR 41 HD1 TYR 41 -0.336 -1.517 9.795 370 HD2 TYR 41 HD2 TYR 41 -2.569 -4.399 7.597 371 HE1 TYR 41 HE1 TYR 41 1.261 -3.262 10.464 372 HE2 TYR 41 HE2 TYR 41 -0.980 -6.144 8.263 373 HH TYR 41 HH TYR 41 1.444 -6.239 8.965 374 H LEU 42 H LEU 42 -5.658 -1.287 7.754 375 HA LEU 42 HA LEU 42 -5.752 1.460 7.193 376 HB2 LEU 42 3HB LEU 42 -8.210 1.034 6.689 377 HB3 LEU 42 2HB LEU 42 -7.940 -0.619 7.205 378 HG LEU 42 HG LEU 42 -6.352 -0.967 5.389 379 HD11 LEU 42 1HD1 LEU 42 -7.904 -0.791 3.499 380 HD12 LEU 42 2HD1 LEU 42 -8.935 0.284 4.447 381 HD13 LEU 42 3HD1 LEU 42 -8.709 -1.393 4.949 382 HD21 LEU 42 3HD2 LEU 42 -5.991 0.760 3.678 383 HD22 LEU 42 1HD2 LEU 42 -5.392 1.271 5.257 384 HD23 LEU 42 2HD2 LEU 42 -6.918 1.908 4.644 385 H GLU 43 H GLU 43 -7.025 -0.352 9.923 386 HA GLU 43 HA GLU 43 -8.674 1.630 11.034 387 HB2 GLU 43 3HB GLU 43 -8.275 0.428 13.210 388 HB3 GLU 43 2HB GLU 43 -7.099 -0.580 12.374 389 HG2 GLU 43 3HG GLU 43 -8.837 -1.406 10.879 390 HG3 GLU 43 2HG GLU 43 -10.021 -0.348 11.640 391 H GLU 44 H GLU 44 -5.175 1.107 11.368 392 HA GLU 44 HA GLU 44 -4.681 3.240 13.172 393 HB2 GLU 44 3HB GLU 44 -2.930 1.903 11.095 394 HB3 GLU 44 2HB GLU 44 -2.942 1.620 12.831 395 HG2 GLU 44 3HG GLU 44 -2.092 3.918 13.181 396 HG3 GLU 44 2HG GLU 44 -2.015 4.132 11.434 397 H PHE 45 H PHE 45 -4.912 3.069 9.665 398 HA PHE 45 HA PHE 45 -4.010 5.711 9.134 399 HB2 PHE 45 3HB PHE 45 -4.891 5.318 6.862 400 HB3 PHE 45 2HB PHE 45 -5.713 3.870 7.434 401 HD1 PHE 45 HD1 PHE 45 -4.263 3.165 5.292 402 HD2 PHE 45 HD2 PHE 45 -2.674 3.999 9.159 403 HE1 PHE 45 HE1 PHE 45 -2.272 1.824 4.768 404 HE2 PHE 45 HE2 PHE 45 -0.687 2.656 8.632 405 HZ PHE 45 HZ PHE 45 -0.481 1.569 6.437 406 H ARG 46 H ARG 46 -7.133 4.377 9.941 407 HA ARG 46 HA ARG 46 -8.812 6.434 9.032 408 HB2 ARG 46 3HB ARG 46 -10.357 5.615 10.909 409 HB3 ARG 46 2HB ARG 46 -9.086 4.459 11.292 410 HG2 ARG 46 3HG ARG 46 -9.234 3.610 8.955 411 HG3 ARG 46 2HG ARG 46 -10.616 4.680 8.703 412 HD2 ARG 46 3HD ARG 46 -10.406 2.394 10.660 413 HD3 ARG 46 2HD ARG 46 -11.432 2.482 9.228 414 HE ARG 46 HE ARG 46 -12.414 4.512 10.546 415 HH11 ARG 46 1HH1 ARG 46 -11.416 1.483 11.817 416 HH12 ARG 46 2HH1 ARG 46 -12.530 1.528 13.129 417 HH21 ARG 46 2HH2 ARG 46 -13.899 3.271 13.364 418 HH22 ARG 46 1HH2 ARG 46 -13.844 4.583 12.232 419 H LYS 47 H LYS 47 -6.661 6.383 11.762 420 HA LYS 47 HA LYS 47 -7.797 8.330 13.410 421 HB2 LYS 47 3HB LYS 47 -5.484 8.796 14.164 422 HB3 LYS 47 2HB LYS 47 -4.865 7.864 12.808 423 HG2 LYS 47 3HG LYS 47 -5.983 5.853 13.707 424 HG3 LYS 47 2HG LYS 47 -6.527 6.799 15.095 425 HD2 LYS 47 3HD LYS 47 -3.649 6.297 14.316 426 HD3 LYS 47 2HD LYS 47 -4.517 5.498 15.629 427 HE2 LYS 47 3HE LYS 47 -4.804 7.639 16.767 428 HE3 LYS 47 2HE LYS 47 -3.980 8.463 15.443 429 HZ1 LYS 47 3HZ LYS 47 -1.977 7.232 15.954 430 HZ2 LYS 47 1HZ LYS 47 -2.762 6.420 17.212 431 HZ3 LYS 47 2HZ LYS 47 -2.506 8.088 17.312 432 H GLU 48 H GLU 48 -5.557 8.760 10.682 433 HA GLU 48 HA GLU 48 -5.944 11.671 10.774 434 HB2 GLU 48 3HB GLU 48 -4.002 11.751 9.250 435 HB3 GLU 48 2HB GLU 48 -3.964 9.992 9.211 436 HG2 GLU 48 3HG GLU 48 -2.269 10.801 10.713 437 HG3 GLU 48 2HG GLU 48 -3.519 9.967 11.633 438 H SER 49 H SER 49 -7.977 9.775 9.721 439 HA SER 49 HA SER 49 -8.147 9.515 6.991 440 HB2 SER 49 3HB SER 49 -9.774 8.506 8.473 441 HB3 SER 49 2HB SER 49 -10.621 9.505 7.293 442 HG SER 49 HG SER 49 -11.430 10.558 8.913 443 H GLN 50 H GLN 50 -8.303 12.465 8.735 444 HA GLN 50 HA GLN 50 -9.896 14.027 7.017 445 HB2 GLN 50 3HB GLN 50 -8.983 15.937 8.161 446 HB3 GLN 50 2HB GLN 50 -7.583 15.015 8.694 447 HG2 GLN 50 3HG GLN 50 -9.123 15.347 10.524 448 HG3 GLN 50 2HG GLN 50 -9.017 13.639 10.112 449 HE21 GLN 50 2HE2 GLN 50 -12.499 13.673 10.354 450 HE22 GLN 50 1HE2 GLN 50 -10.998 13.185 11.056 451 H ASN 51 H ASN 51 -6.349 13.537 7.090 452 HA ASN 51 HA ASN 51 -6.183 14.803 4.417 453 HB2 ASN 51 3HB ASN 51 -4.104 15.906 5.041 454 HB3 ASN 51 2HB ASN 51 -4.149 15.163 6.636 455 HD21 ASN 51 2HD2 ASN 51 -6.336 17.488 8.010 456 HD22 ASN 51 1HD2 ASN 51 -5.510 15.983 8.190 457 H ILE 52 H ILE 52 -6.055 11.900 5.533 458 HA ILE 52 HA ILE 52 -3.320 11.160 4.803 459 HB ILE 52 HB ILE 52 -4.434 10.203 6.845 460 HG12 ILE 52 3HG1 ILE 52 -2.459 9.151 5.781 461 HG13 ILE 52 2HG1 ILE 52 -3.528 8.191 4.762 462 HG21 ILE 52 1HG2 ILE 52 -6.027 8.621 4.819 463 HG22 ILE 52 2HG2 ILE 52 -6.669 9.857 5.901 464 HG23 ILE 52 3HG2 ILE 52 -6.018 8.359 6.564 465 HD11 ILE 52 3HD1 ILE 52 -3.357 8.053 7.761 466 HD12 ILE 52 1HD1 ILE 52 -2.685 6.891 6.617 467 HD13 ILE 52 2HD1 ILE 52 -4.432 7.094 6.743 468 H LYS 53 H LYS 53 -2.756 9.789 3.136 469 HA LYS 53 HA LYS 53 -4.862 8.778 1.327 470 HB2 LYS 53 3HB LYS 53 -3.519 9.401 -0.620 471 HB3 LYS 53 2HB LYS 53 -2.267 10.056 0.422 472 HG2 LYS 53 3HG LYS 53 -3.239 12.028 0.024 473 HG3 LYS 53 2HG LYS 53 -4.420 11.515 1.225 474 HD2 LYS 53 3HD LYS 53 -4.708 11.058 -1.746 475 HD3 LYS 53 2HD LYS 53 -5.428 12.403 -0.870 476 HE2 LYS 53 3HE LYS 53 -5.986 9.507 -0.246 477 HE3 LYS 53 2HE LYS 53 -6.977 10.490 -1.318 478 HZ1 LYS 53 3HZ LYS 53 -6.497 11.007 1.563 479 HZ2 LYS 53 1HZ LYS 53 -7.929 10.417 0.883 480 HZ3 LYS 53 2HZ LYS 53 -7.414 11.990 0.541 481 H VAL 54 H VAL 54 -4.497 6.678 0.625 482 HA VAL 54 HA VAL 54 -2.007 5.418 1.618 483 HB VAL 54 HB VAL 54 -4.689 4.085 1.192 484 HG11 VAL 54 1HG1 VAL 54 -2.818 2.537 0.986 485 HG12 VAL 54 2HG1 VAL 54 -3.717 2.226 2.471 486 HG13 VAL 54 3HG1 VAL 54 -2.176 3.082 2.534 487 HG21 VAL 54 3HG2 VAL 54 -4.879 4.059 3.646 488 HG22 VAL 54 1HG2 VAL 54 -4.849 5.700 3.003 489 HG23 VAL 54 2HG2 VAL 54 -3.408 5.026 3.764 490 H LEU 55 H LEU 55 -0.820 4.121 0.313 491 HA LEU 55 HA LEU 55 -1.766 3.576 -2.441 492 HB2 LEU 55 3HB LEU 55 1.051 3.939 -1.385 493 HB3 LEU 55 2HB LEU 55 0.169 5.077 -2.385 494 HG LEU 55 HG LEU 55 0.870 2.295 -3.327 495 HD11 LEU 55 1HD1 LEU 55 0.526 3.254 -5.551 496 HD12 LEU 55 2HD1 LEU 55 0.092 4.799 -4.817 497 HD13 LEU 55 3HD1 LEU 55 -0.923 3.380 -4.554 498 HD21 LEU 55 3HD2 LEU 55 2.944 3.439 -2.765 499 HD22 LEU 55 1HD2 LEU 55 2.458 4.827 -3.737 500 HD23 LEU 55 2HD2 LEU 55 2.770 3.274 -4.512 501 H ILE 56 H ILE 56 -2.198 1.440 -2.786 502 HA ILE 56 HA ILE 56 -0.908 -0.529 -0.990 503 HB ILE 56 HB ILE 56 -3.574 -0.789 -2.401 504 HG12 ILE 56 3HG1 ILE 56 -3.671 0.867 -0.596 505 HG13 ILE 56 2HG1 ILE 56 -2.928 -0.275 0.518 506 HG21 ILE 56 1HG2 ILE 56 -2.239 -2.596 -0.379 507 HG22 ILE 56 2HG2 ILE 56 -2.453 -2.939 -2.096 508 HG23 ILE 56 3HG2 ILE 56 -3.861 -2.811 -1.042 509 HD11 ILE 56 3HD1 ILE 56 -5.321 -0.101 0.879 510 HD12 ILE 56 1HD1 ILE 56 -4.874 -1.724 0.352 511 HD13 ILE 56 2HD1 ILE 56 -5.620 -0.600 -0.787 512 H LEU 57 H LEU 57 0.409 -1.988 -1.881 513 HA LEU 57 HA LEU 57 0.248 -2.499 -4.791 514 HB2 LEU 57 3HB LEU 57 2.636 -3.318 -4.511 515 HB3 LEU 57 2HB LEU 57 2.595 -2.660 -2.890 516 HG LEU 57 HG LEU 57 3.749 -1.211 -4.557 517 HD11 LEU 57 1HD1 LEU 57 0.994 -0.915 -5.746 518 HD12 LEU 57 2HD1 LEU 57 2.398 -1.666 -6.505 519 HD13 LEU 57 3HD1 LEU 57 2.403 0.062 -6.161 520 HD21 LEU 57 3HD2 LEU 57 2.831 -0.234 -2.515 521 HD22 LEU 57 1HD2 LEU 57 1.282 0.020 -3.323 522 HD23 LEU 57 2HD2 LEU 57 2.716 0.889 -3.870 523 H VAL 58 H VAL 58 -0.656 -4.412 -5.264 524 HA VAL 58 HA VAL 58 -0.424 -6.624 -3.313 525 HB VAL 58 HB VAL 58 -2.494 -7.524 -4.177 526 HG11 VAL 58 1HG1 VAL 58 -4.054 -5.787 -3.457 527 HG12 VAL 58 2HG1 VAL 58 -2.783 -4.574 -3.605 528 HG13 VAL 58 3HG1 VAL 58 -2.646 -5.852 -2.399 529 HG21 VAL 58 3HG2 VAL 58 -2.540 -5.181 -6.086 530 HG22 VAL 58 1HG2 VAL 58 -3.819 -6.378 -5.882 531 HG23 VAL 58 2HG2 VAL 58 -2.251 -6.867 -6.521 532 H SER 59 H SER 59 -0.275 -8.818 -4.168 533 HA SER 59 HA SER 59 1.571 -8.959 -6.389 534 HB2 SER 59 3HB SER 59 0.438 -11.166 -4.646 535 HB3 SER 59 2HB SER 59 1.966 -10.325 -4.396 536 HG SER 59 HG SER 59 1.909 -11.288 -6.896 537 H ASN 60 H ASN 60 -1.780 -10.020 -5.824 538 HA ASN 60 HA ASN 60 -1.967 -10.703 -8.693 539 HB2 ASN 60 3HB ASN 60 -3.327 -12.649 -8.202 540 HB3 ASN 60 2HB ASN 60 -3.277 -12.295 -6.478 541 HD21 ASN 60 2HD2 ASN 60 -0.151 -13.699 -5.941 542 HD22 ASN 60 1HD2 ASN 60 -1.430 -12.724 -5.319 543 H ASP 61 H ASP 61 -4.357 -11.080 -9.307 544 HA ASP 61 HA ASP 61 -5.743 -8.630 -8.929 545 HB2 ASP 61 3HB ASP 61 -7.443 -9.620 -10.399 546 HB3 ASP 61 2HB ASP 61 -6.696 -11.206 -10.204 547 H GLU 62 H GLU 62 -5.914 -11.692 -7.302 548 HA GLU 62 HA GLU 62 -8.586 -11.496 -6.341 549 HB2 GLU 62 3HB GLU 62 -6.345 -13.011 -4.990 550 HB3 GLU 62 2HB GLU 62 -7.051 -13.561 -6.500 551 HG2 GLU 62 3HG GLU 62 -8.142 -14.805 -4.860 552 HG3 GLU 62 2HG GLU 62 -9.292 -13.548 -5.300 553 H GLU 63 H GLU 63 -5.461 -10.956 -4.658 554 HA GLU 63 HA GLU 63 -6.555 -9.695 -2.388 555 HB2 GLU 63 3HB GLU 63 -4.363 -10.335 -2.016 556 HB3 GLU 63 2HB GLU 63 -4.178 -8.608 -2.266 557 HG2 GLU 63 3HG GLU 63 -2.514 -9.235 -3.625 558 HG3 GLU 63 2HG GLU 63 -3.815 -9.464 -4.791 559 H LEU 64 H LEU 64 -5.684 -8.447 -5.536 560 HA LEU 64 HA LEU 64 -5.708 -5.705 -5.131 561 HB2 LEU 64 3HB LEU 64 -6.781 -7.306 -7.457 562 HB3 LEU 64 2HB LEU 64 -5.127 -6.769 -7.241 563 HG LEU 64 HG LEU 64 -7.467 -4.879 -7.589 564 HD11 LEU 64 1HD1 LEU 64 -5.536 -3.903 -6.471 565 HD12 LEU 64 2HD1 LEU 64 -5.743 -3.227 -8.085 566 HD13 LEU 64 3HD1 LEU 64 -4.490 -4.433 -7.788 567 HD21 LEU 64 3HD2 LEU 64 -6.731 -4.611 -9.903 568 HD22 LEU 64 1HD2 LEU 64 -7.221 -6.273 -9.582 569 HD23 LEU 64 2HD2 LEU 64 -5.510 -5.862 -9.671 570 H ASP 65 H ASP 65 -8.508 -7.761 -5.968 571 HA ASP 65 HA ASP 65 -10.400 -5.666 -5.840 572 HB2 ASP 65 3HB ASP 65 -11.025 -8.596 -5.433 573 HB3 ASP 65 2HB ASP 65 -10.636 -7.920 -7.014 574 H LYS 66 H LYS 66 -9.300 -8.028 -3.412 575 HA LYS 66 HA LYS 66 -11.227 -7.354 -1.438 576 HB2 LYS 66 3HB LYS 66 -9.714 -8.476 0.164 577 HB3 LYS 66 2HB LYS 66 -8.462 -8.526 -1.067 578 HG2 LYS 66 3HG LYS 66 -9.751 -10.664 -0.700 579 HG3 LYS 66 2HG LYS 66 -9.646 -10.099 -2.366 580 HD2 LYS 66 3HD LYS 66 -11.902 -10.931 -1.702 581 HD3 LYS 66 2HD LYS 66 -11.892 -9.277 -2.315 582 HE2 LYS 66 3HE LYS 66 -11.867 -8.484 0.057 583 HE3 LYS 66 2HE LYS 66 -12.082 -10.161 0.559 584 HZ1 LYS 66 3HZ LYS 66 -14.159 -8.827 0.414 585 HZ2 LYS 66 1HZ LYS 66 -14.175 -10.247 -0.506 586 HZ3 LYS 66 2HZ LYS 66 -13.945 -8.757 -1.262 587 H ALA 67 H ALA 67 -7.935 -6.162 -2.022 588 HA ALA 67 HA ALA 67 -7.636 -4.539 0.225 589 HB1 ALA 67 3HB ALA 67 -6.542 -4.044 -2.547 590 HB2 ALA 67 1HB ALA 67 -5.801 -5.061 -1.311 591 HB3 ALA 67 2HB ALA 67 -5.945 -3.322 -1.052 592 H LYS 68 H LYS 68 -9.048 -3.709 -2.953 593 HA LYS 68 HA LYS 68 -9.692 -1.032 -2.166 594 HB2 LYS 68 3HB LYS 68 -9.389 -1.568 -4.516 595 HB3 LYS 68 2HB LYS 68 -10.998 -0.915 -4.239 596 HG2 LYS 68 3HG LYS 68 -11.891 -3.235 -4.261 597 HG3 LYS 68 2HG LYS 68 -10.274 -3.808 -4.674 598 HD2 LYS 68 3HD LYS 68 -11.617 -3.625 -6.683 599 HD3 LYS 68 2HD LYS 68 -10.322 -2.426 -6.717 600 HE2 LYS 68 3HE LYS 68 -11.894 -0.697 -5.983 601 HE3 LYS 68 2HE LYS 68 -13.189 -1.891 -5.928 602 HZ1 LYS 68 3HZ LYS 68 -12.919 -2.225 -8.315 603 HZ2 LYS 68 1HZ LYS 68 -11.703 -1.052 -8.355 604 HZ3 LYS 68 2HZ LYS 68 -13.283 -0.611 -7.959 605 H GLU 69 H GLU 69 -11.414 -4.103 -1.972 606 HA GLU 69 HA GLU 69 -13.996 -3.172 -1.430 607 HB2 GLU 69 3HB GLU 69 -14.034 -5.339 0.097 608 HB3 GLU 69 2HB GLU 69 -12.482 -5.644 -0.669 609 HG2 GLU 69 3HG GLU 69 -14.187 -6.811 -1.872 610 HG3 GLU 69 2HG GLU 69 -13.583 -5.496 -2.881 611 H LEU 70 H LEU 70 -11.577 -4.158 1.024 612 HA LEU 70 HA LEU 70 -12.934 -3.233 3.262 613 HB2 LEU 70 3HB LEU 70 -10.619 -3.061 4.305 614 HB3 LEU 70 2HB LEU 70 -9.975 -3.485 2.727 615 HG LEU 70 HG LEU 70 -11.279 -5.619 2.829 616 HD11 LEU 70 1HD1 LEU 70 -9.826 -6.739 4.432 617 HD12 LEU 70 2HD1 LEU 70 -9.376 -5.183 5.132 618 HD13 LEU 70 3HD1 LEU 70 -8.919 -5.570 3.472 619 HD21 LEU 70 3HD2 LEU 70 -13.037 -4.903 4.353 620 HD22 LEU 70 1HD2 LEU 70 -11.859 -4.720 5.654 621 HD23 LEU 70 2HD2 LEU 70 -12.204 -6.319 4.995 622 H ALA 71 H ALA 71 -10.656 -1.459 1.191 623 HA ALA 71 HA ALA 71 -10.555 0.949 2.593 624 HB1 ALA 71 3HB ALA 71 -9.120 0.411 0.681 625 HB2 ALA 71 1HB ALA 71 -9.907 1.978 0.490 626 HB3 ALA 71 2HB ALA 71 -10.504 0.577 -0.401 627 H GLN 72 H GLN 72 -12.802 0.048 -0.042 628 HA GLN 72 HA GLN 72 -14.348 2.386 -0.039 629 HB2 GLN 72 3HB GLN 72 -16.133 0.952 -1.069 630 HB3 GLN 72 2HB GLN 72 -15.130 -0.453 -0.737 631 HG2 GLN 72 3HG GLN 72 -13.368 0.485 -2.179 632 HG3 GLN 72 2HG GLN 72 -14.417 1.856 -2.539 633 HE21 GLN 72 2HE2 GLN 72 -15.027 -1.741 -4.316 634 HE22 GLN 72 1HE2 GLN 72 -13.919 -1.560 -3.004 635 H LYS 73 H LYS 73 -14.831 -0.649 1.764 636 HA LYS 73 HA LYS 73 -17.270 0.064 2.993 637 HB2 LYS 73 3HB LYS 73 -16.863 -1.803 4.503 638 HB3 LYS 73 2HB LYS 73 -15.154 -1.818 4.078 639 HG2 LYS 73 3HG LYS 73 -15.734 -2.447 1.782 640 HG3 LYS 73 2HG LYS 73 -17.444 -2.436 2.212 641 HD2 LYS 73 3HD LYS 73 -17.156 -4.273 3.721 642 HD3 LYS 73 2HD LYS 73 -15.399 -4.199 3.563 643 HE2 LYS 73 3HE LYS 73 -16.422 -6.043 2.258 644 HE3 LYS 73 2HE LYS 73 -15.517 -4.904 1.263 645 HZ1 LYS 73 3HZ LYS 73 -18.468 -5.023 1.561 646 HZ2 LYS 73 1HZ LYS 73 -17.567 -5.439 0.190 647 HZ3 LYS 73 2HZ LYS 73 -17.637 -3.831 0.698 648 H MET 74 H MET 74 -13.919 0.542 3.988 649 HA MET 74 HA MET 74 -14.699 1.766 6.515 650 HB2 MET 74 3HB MET 74 -12.287 1.855 6.964 651 HB3 MET 74 2HB MET 74 -11.949 1.345 5.314 652 HG2 MET 74 3HG MET 74 -13.155 -0.781 5.782 653 HG3 MET 74 2HG MET 74 -13.324 -0.270 7.458 654 HE1 MET 74 3HE MET 74 -11.390 -0.160 9.192 655 HE2 MET 74 1HE MET 74 -10.603 1.068 8.200 656 HE3 MET 74 2HE MET 74 -9.682 -0.318 8.782 657 H GLU 75 H GLU 75 -14.634 2.848 3.441 658 HA GLU 75 HA GLU 75 -14.890 4.897 2.515 659 HB2 GLU 75 3HB GLU 75 -15.285 6.849 4.010 660 HB3 GLU 75 2HB GLU 75 -14.854 5.845 5.388 661 HG2 GLU 75 3HG GLU 75 -17.252 6.025 5.208 662 HG3 GLU 75 2HG GLU 75 -16.746 4.365 4.901 663 H ILE 76 H ILE 76 -12.136 3.834 3.104 664 HA ILE 76 HA ILE 76 -10.588 6.318 3.382 665 HB ILE 76 HB ILE 76 -9.630 3.446 3.292 666 HG12 ILE 76 3HG1 ILE 76 -10.967 3.976 5.304 667 HG13 ILE 76 2HG1 ILE 76 -9.914 5.346 5.640 668 HG21 ILE 76 1HG2 ILE 76 -7.479 4.344 4.067 669 HG22 ILE 76 2HG2 ILE 76 -8.114 5.983 3.923 670 HG23 ILE 76 3HG2 ILE 76 -7.923 4.981 2.485 671 HD11 ILE 76 3HD1 ILE 76 -9.353 3.464 7.044 672 HD12 ILE 76 1HD1 ILE 76 -8.027 3.816 5.936 673 HD13 ILE 76 2HD1 ILE 76 -9.100 2.450 5.624 674 H ASP 77 H ASP 77 -9.373 7.196 1.753 675 HA ASP 77 HA ASP 77 -9.730 6.258 -0.954 676 HB2 ASP 77 3HB ASP 77 -8.512 8.206 -1.635 677 HB3 ASP 77 2HB ASP 77 -7.828 8.419 -0.030 678 H VAL 78 H VAL 78 -8.574 4.498 -1.627 679 HA VAL 78 HA VAL 78 -5.687 4.451 -0.988 680 HB VAL 78 HB VAL 78 -5.673 2.047 -0.951 681 HG11 VAL 78 1HG1 VAL 78 -6.997 1.600 1.043 682 HG12 VAL 78 2HG1 VAL 78 -7.952 3.056 0.755 683 HG13 VAL 78 3HG1 VAL 78 -6.237 3.189 1.145 684 HG21 VAL 78 3HG2 VAL 78 -8.627 2.176 -1.590 685 HG22 VAL 78 1HG2 VAL 78 -7.739 0.713 -1.164 686 HG23 VAL 78 2HG2 VAL 78 -7.347 1.579 -2.647 687 H ARG 79 H ARG 79 -4.285 4.113 -2.612 688 HA ARG 79 HA ARG 79 -5.329 3.740 -5.333 689 HB2 ARG 79 3HB ARG 79 -2.964 4.426 -5.980 690 HB3 ARG 79 2HB ARG 79 -2.688 4.771 -4.278 691 HG2 ARG 79 3HG ARG 79 -4.702 6.328 -4.424 692 HG3 ARG 79 2HG ARG 79 -4.577 6.144 -6.174 693 HD2 ARG 79 3HD ARG 79 -2.576 7.351 -4.277 694 HD3 ARG 79 2HD ARG 79 -3.387 8.118 -5.639 695 HE ARG 79 HE ARG 79 -1.352 6.010 -5.955 696 HH11 ARG 79 1HH1 ARG 79 -2.840 8.928 -6.985 697 HH12 ARG 79 2HH1 ARG 79 -1.681 9.212 -8.237 698 HH21 ARG 79 2HH2 ARG 79 0.016 7.812 -8.528 699 HH22 ARG 79 1HH2 ARG 79 0.156 6.398 -7.549 700 H THR 80 H THR 80 -5.666 1.506 -5.298 701 HA THR 80 HA THR 80 -3.486 -0.251 -4.463 702 HB THR 80 HB THR 80 -6.243 -1.077 -5.414 703 HG1 THR 80 HG1 THR 80 -6.171 -1.297 -2.827 704 HG21 THR 80 3HG2 THR 80 -5.782 -3.130 -4.185 705 HG22 THR 80 1HG2 THR 80 -4.225 -2.493 -3.653 706 HG23 THR 80 2HG2 THR 80 -4.497 -2.843 -5.358 707 H ARG 81 H ARG 81 -2.053 -0.978 -5.884 708 HA ARG 81 HA ARG 81 -2.902 -1.535 -8.656 709 HB2 ARG 81 3HB ARG 81 -0.619 -0.885 -9.397 710 HB3 ARG 81 2HB ARG 81 -0.244 -0.391 -7.753 711 HG2 ARG 81 3HG ARG 81 -0.760 1.541 -9.110 712 HG3 ARG 81 2HG ARG 81 -2.000 1.329 -7.874 713 HD2 ARG 81 3HD ARG 81 -3.469 0.267 -9.532 714 HD3 ARG 81 2HD ARG 81 -2.229 0.487 -10.768 715 HE ARG 81 HE ARG 81 -2.672 2.999 -9.799 716 HH11 ARG 81 1HH1 ARG 81 -4.679 0.557 -11.174 717 HH12 ARG 81 2HH1 ARG 81 -5.795 1.699 -11.834 718 HH21 ARG 81 2HH2 ARG 81 -5.474 3.878 -11.551 719 HH22 ARG 81 1HH2 ARG 81 -4.109 4.453 -10.656 720 H LYS 82 H LYS 82 -1.619 -3.216 -9.734 721 HA LYS 82 HA LYS 82 -0.844 -5.316 -7.815 722 HB2 LYS 82 3HB LYS 82 -1.745 -5.512 -10.696 723 HB3 LYS 82 2HB LYS 82 -2.730 -5.852 -9.281 724 HG2 LYS 82 3HG LYS 82 -1.307 -7.741 -8.710 725 HG3 LYS 82 2HG LYS 82 -0.266 -7.393 -10.093 726 HD2 LYS 82 3HD LYS 82 -3.189 -8.159 -10.214 727 HD3 LYS 82 2HD LYS 82 -1.823 -9.210 -10.601 728 HE2 LYS 82 3HE LYS 82 -1.193 -7.732 -12.444 729 HE3 LYS 82 2HE LYS 82 -2.531 -6.654 -12.049 730 HZ1 LYS 82 3HZ LYS 82 -3.129 -8.074 -13.873 731 HZ2 LYS 82 1HZ LYS 82 -4.066 -8.483 -12.526 732 HZ3 LYS 82 2HZ LYS 82 -2.765 -9.461 -12.979 733 H VAL 83 H VAL 83 1.282 -5.687 -7.590 734 HA VAL 83 HA VAL 83 3.048 -5.279 -9.920 735 HB VAL 83 HB VAL 83 4.848 -4.574 -8.405 736 HG11 VAL 83 1HG1 VAL 83 2.323 -2.941 -8.129 737 HG12 VAL 83 2HG1 VAL 83 3.479 -2.866 -9.460 738 HG13 VAL 83 3HG1 VAL 83 3.961 -2.348 -7.843 739 HG21 VAL 83 3HG2 VAL 83 4.147 -5.730 -6.374 740 HG22 VAL 83 1HG2 VAL 83 2.738 -4.677 -6.242 741 HG23 VAL 83 2HG2 VAL 83 4.360 -4.008 -6.060 742 H THR 84 H THR 84 4.382 -6.876 -10.448 743 HA THR 84 HA THR 84 4.723 -9.167 -8.606 744 HB THR 84 HB THR 84 5.256 -10.513 -10.610 745 HG1 THR 84 HG1 THR 84 4.985 -9.571 -12.672 746 HG21 THR 84 3HG2 THR 84 3.013 -10.575 -11.607 747 HG22 THR 84 1HG2 THR 84 2.636 -9.019 -10.865 748 HG23 THR 84 2HG2 THR 84 2.925 -10.434 -9.851 749 H SER 85 H SER 85 6.360 -7.059 -10.918 750 HA SER 85 HA SER 85 8.995 -8.060 -10.187 751 HB2 SER 85 3HB SER 85 9.822 -6.552 -11.933 752 HB3 SER 85 2HB SER 85 8.224 -5.818 -12.082 753 HG SER 85 HG SER 85 7.795 -8.358 -12.388 754 HA PRO 86 HA PRO 86 9.709 -5.244 -6.840 755 HB2 PRO 86 2HB PRO 86 12.441 -4.827 -7.245 756 HB3 PRO 86 3HB PRO 86 11.728 -6.167 -6.342 757 HG2 PRO 86 3HG PRO 86 12.851 -7.375 -7.974 758 HG3 PRO 86 2HG PRO 86 12.677 -6.086 -9.181 759 HD2 PRO 86 3HD PRO 86 10.653 -8.113 -8.267 760 HD3 PRO 86 2HD PRO 86 11.026 -7.557 -9.914 761 H ASP 87 H ASP 87 11.136 -4.349 -9.980 762 HA ASP 87 HA ASP 87 11.573 -1.639 -9.436 763 HB2 ASP 87 3HB ASP 87 11.589 -1.349 -11.904 764 HB3 ASP 87 2HB ASP 87 10.971 -2.990 -12.074 765 H GLU 88 H GLU 88 8.616 -3.299 -10.379 766 HA GLU 88 HA GLU 88 7.139 -0.956 -11.040 767 HB2 GLU 88 3HB GLU 88 5.126 -2.416 -10.734 768 HB3 GLU 88 2HB GLU 88 6.192 -3.693 -10.165 769 HG2 GLU 88 3HG GLU 88 5.549 -3.975 -12.517 770 HG3 GLU 88 2HG GLU 88 7.292 -3.802 -12.306 771 H ALA 89 H ALA 89 7.433 -2.849 -8.023 772 HA ALA 89 HA ALA 89 5.749 -1.321 -6.392 773 HB1 ALA 89 3HB ALA 89 7.077 -2.154 -4.505 774 HB2 ALA 89 1HB ALA 89 8.338 -2.685 -5.623 775 HB3 ALA 89 2HB ALA 89 6.741 -3.437 -5.670 776 H LYS 90 H LYS 90 9.221 -0.907 -7.054 777 HA LYS 90 HA LYS 90 9.650 1.497 -5.667 778 HB2 LYS 90 3HB LYS 90 11.592 1.787 -7.142 779 HB3 LYS 90 2HB LYS 90 10.941 0.595 -8.262 780 HG2 LYS 90 3HG LYS 90 11.085 -1.081 -6.373 781 HG3 LYS 90 2HG LYS 90 12.002 0.134 -5.482 782 HD2 LYS 90 3HD LYS 90 12.773 -0.965 -8.190 783 HD3 LYS 90 2HD LYS 90 13.442 -1.513 -6.656 784 HE2 LYS 90 3HE LYS 90 14.235 0.821 -6.243 785 HE3 LYS 90 2HE LYS 90 13.712 1.230 -7.879 786 HZ1 LYS 90 3HZ LYS 90 15.713 -0.854 -7.190 787 HZ2 LYS 90 1HZ LYS 90 16.076 0.691 -7.775 788 HZ3 LYS 90 2HZ LYS 90 15.245 -0.407 -8.753 789 H ARG 91 H ARG 91 8.577 0.893 -8.972 790 HA ARG 91 HA ARG 91 8.522 3.494 -9.970 791 HB2 ARG 91 3HB ARG 91 6.826 1.079 -10.627 792 HB3 ARG 91 2HB ARG 91 8.326 1.560 -11.406 793 HG2 ARG 91 3HG ARG 91 7.269 3.474 -12.400 794 HG3 ARG 91 2HG ARG 91 5.779 3.165 -11.503 795 HD2 ARG 91 3HD ARG 91 5.587 0.976 -12.667 796 HD3 ARG 91 2HD ARG 91 7.002 1.399 -13.630 797 HE ARG 91 HE ARG 91 5.408 3.468 -14.130 798 HH11 ARG 91 1HH1 ARG 91 4.735 0.080 -14.114 799 HH12 ARG 91 2HH1 ARG 91 3.495 0.227 -15.314 800 HH21 ARG 91 2HH2 ARG 91 2.975 2.202 -16.166 801 HH22 ARG 91 1HH2 ARG 91 3.819 3.627 -15.654 802 H TRP 92 H TRP 92 5.826 1.647 -8.495 803 HA TRP 92 HA TRP 92 3.961 3.762 -8.826 804 HB2 TRP 92 3HB TRP 92 2.532 2.370 -7.252 805 HB3 TRP 92 2HB TRP 92 3.877 1.231 -7.188 806 HD1 TRP 92 HD1 TRP 92 4.011 -0.509 -9.119 807 HE1 TRP 92 HE1 TRP 92 2.743 -0.873 -11.328 808 HE3 TRP 92 HE3 TRP 92 1.304 3.820 -9.216 809 HZ2 TRP 92 HZ2 TRP 92 0.844 0.498 -12.907 810 HZ3 TRP 92 HZ3 TRP 92 -0.213 4.224 -11.106 811 HH2 TRP 92 HH2 TRP 92 -0.439 2.596 -12.918 812 H ILE 93 H ILE 93 5.954 2.782 -6.042 813 HA ILE 93 HA ILE 93 4.915 4.668 -4.210 814 HB ILE 93 HB ILE 93 7.710 3.515 -4.418 815 HG12 ILE 93 3HG1 ILE 93 5.953 1.844 -4.025 816 HG13 ILE 93 2HG1 ILE 93 5.337 2.786 -2.671 817 HG21 ILE 93 1HG2 ILE 93 7.785 5.615 -3.171 818 HG22 ILE 93 2HG2 ILE 93 8.030 4.245 -2.090 819 HG23 ILE 93 3HG2 ILE 93 6.469 5.063 -2.134 820 HD11 ILE 93 3HD1 ILE 93 6.641 0.884 -1.923 821 HD12 ILE 93 1HD1 ILE 93 7.396 2.404 -1.445 822 HD13 ILE 93 2HD1 ILE 93 8.044 1.486 -2.805 823 H LYS 94 H LYS 94 7.466 4.904 -6.651 824 HA LYS 94 HA LYS 94 8.202 7.585 -6.250 825 HB2 LYS 94 3HB LYS 94 8.241 5.744 -8.632 826 HB3 LYS 94 2HB LYS 94 9.589 6.298 -7.650 827 HG2 LYS 94 3HG LYS 94 9.354 8.547 -8.595 828 HG3 LYS 94 2HG LYS 94 8.015 7.980 -9.597 829 HD2 LYS 94 3HD LYS 94 9.633 6.257 -10.542 830 HD3 LYS 94 2HD LYS 94 10.916 7.164 -9.737 831 HE2 LYS 94 3HE LYS 94 10.809 7.906 -12.004 832 HE3 LYS 94 2HE LYS 94 10.166 9.194 -10.985 833 HZ1 LYS 94 3HZ LYS 94 8.593 7.265 -12.607 834 HZ2 LYS 94 1HZ LYS 94 8.764 8.925 -12.888 835 HZ3 LYS 94 2HZ LYS 94 7.908 8.377 -11.534 836 H GLU 95 H GLU 95 5.877 6.280 -8.655 837 HA GLU 95 HA GLU 95 4.918 8.667 -9.677 838 HB2 GLU 95 3HB GLU 95 2.918 7.430 -10.352 839 HB3 GLU 95 2HB GLU 95 3.286 6.160 -9.195 840 HG2 GLU 95 3HG GLU 95 3.876 5.402 -11.382 841 HG3 GLU 95 2HG GLU 95 5.351 5.650 -10.456 842 H PHE 96 H PHE 96 3.861 6.927 -6.786 843 HA PHE 96 HA PHE 96 1.612 8.441 -6.104 844 HB2 PHE 96 3HB PHE 96 3.583 7.108 -4.229 845 HB3 PHE 96 2HB PHE 96 2.284 6.275 -5.071 846 HD1 PHE 96 HD1 PHE 96 3.158 7.375 -1.987 847 HD2 PHE 96 HD2 PHE 96 -0.073 7.716 -4.741 848 HE1 PHE 96 HE1 PHE 96 1.619 7.829 -0.124 849 HE2 PHE 96 HE2 PHE 96 -1.614 8.172 -2.880 850 HZ PHE 96 HZ PHE 96 -0.771 8.230 -0.569 851 H SER 97 H SER 97 5.027 8.908 -5.145 852 HA SER 97 HA SER 97 4.499 11.279 -3.628 853 HB2 SER 97 3HB SER 97 6.515 9.867 -3.250 854 HB3 SER 97 2HB SER 97 6.917 11.562 -3.516 855 HG SER 97 HG SER 97 7.026 9.531 -5.500 856 H GLU 98 H GLU 98 5.418 10.675 -6.992 857 HA GLU 98 HA GLU 98 6.039 13.283 -7.801 858 HB2 GLU 98 3HB GLU 98 5.391 12.540 -10.082 859 HB3 GLU 98 2HB GLU 98 4.668 11.095 -9.388 860 HG2 GLU 98 3HG GLU 98 6.840 10.606 -10.342 861 HG3 GLU 98 2HG GLU 98 6.853 10.359 -8.597 862 H GLU 99 H GLU 99 2.913 11.603 -7.778 863 HA GLU 99 HA GLU 99 1.401 13.831 -8.734 864 HB2 GLU 99 3HB GLU 99 -0.565 12.410 -8.055 865 HB3 GLU 99 2HB GLU 99 0.576 11.239 -7.405 866 HG2 GLU 99 3HG GLU 99 1.592 11.089 -9.693 867 HG3 GLU 99 2HG GLU 99 0.267 12.094 -10.281 868 H GLY 100 H GLY 100 2.823 13.321 -5.747 869 HA2 GLY 100 3HA GLY 100 1.414 15.591 -4.636 870 HA3 GLY 100 2HA GLY 100 2.795 14.770 -3.931 871 H GLY 101 H GLY 101 -0.494 13.667 -4.791 872 HA2 GLY 101 3HA GLY 101 -0.819 12.790 -1.974 873 HA3 GLY 101 2HA GLY 101 -1.421 11.868 -3.342 874 H SER 102 H SER 102 -1.629 15.367 -2.871 875 HA SER 102 HA SER 102 -4.338 15.434 -2.034 876 HB2 SER 102 3HB SER 102 -4.249 17.845 -2.566 877 HB3 SER 102 2HB SER 102 -2.716 17.604 -3.404 878 HG SER 102 HG SER 102 -2.007 18.132 -1.461 879 H LEU 103 H LEU 103 -5.134 13.829 -3.628 880 HA LEU 103 HA LEU 103 -5.802 15.055 -6.234 881 HB2 LEU 103 3HB LEU 103 -5.742 12.794 -7.197 882 HB3 LEU 103 2HB LEU 103 -5.299 12.133 -5.633 883 HG LEU 103 HG LEU 103 -3.164 13.379 -5.720 884 HD11 LEU 103 1HD1 LEU 103 -2.098 12.043 -7.457 885 HD12 LEU 103 2HD1 LEU 103 -3.672 11.679 -8.163 886 HD13 LEU 103 3HD1 LEU 103 -3.269 11.081 -6.553 887 HD21 LEU 103 3HD2 LEU 103 -3.889 15.266 -7.102 888 HD22 LEU 103 1HD2 LEU 103 -4.055 14.190 -8.493 889 HD23 LEU 103 2HD2 LEU 103 -2.464 14.483 -7.788 890 H GLU 104 H GLU 104 -7.316 14.871 -3.588 891 HA GLU 104 HA GLU 104 -9.405 13.055 -3.667 892 HB2 GLU 104 3HB GLU 104 -9.108 14.390 -1.715 893 HB3 GLU 104 2HB GLU 104 -10.704 14.760 -2.352 894 HG2 GLU 104 3HG GLU 104 -9.821 16.823 -3.350 895 HG3 GLU 104 2HG GLU 104 -8.231 16.452 -2.684 896 H HIS 105 H HIS 105 -11.167 12.769 -4.890 897 HA HIS 105 HA HIS 105 -11.214 14.098 -7.404 898 HB2 HIS 105 3HB HIS 105 -13.241 12.138 -6.310 899 HB3 HIS 105 2HB HIS 105 -11.706 11.673 -7.036 900 HD1 HIS 105 HD1 HIS 105 -15.166 12.431 -7.886 901 HD2 HIS 105 HD2 HIS 105 -11.511 12.403 -9.857 902 HE1 HIS 105 HE1 HIS 105 -15.723 12.422 -10.331 903 HE2 HIS 105 HE2 HIS 105 -13.503 12.125 -11.475 904 H HIS 106 H HIS 106 -11.892 16.184 -7.414 905 HA HIS 106 HA HIS 106 -14.461 16.905 -6.213 906 HB2 HIS 106 3HB HIS 106 -13.910 19.207 -7.011 907 HB3 HIS 106 2HB HIS 106 -12.417 18.579 -7.702 908 HD1 HIS 106 HD1 HIS 106 -10.689 19.639 -6.256 909 HD2 HIS 106 HD2 HIS 106 -13.732 17.893 -4.032 910 HE1 HIS 106 HE1 HIS 106 -9.958 19.819 -3.865 911 HE2 HIS 106 HE2 HIS 106 -11.722 18.593 -2.562 912 H HIS 107 H HIS 107 -15.704 18.575 -7.758 913 HA HIS 107 HA HIS 107 -16.353 17.062 -10.207 914 HB2 HIS 107 3HB HIS 107 -18.498 18.215 -10.146 915 HB3 HIS 107 2HB HIS 107 -17.946 19.247 -8.831 916 HD1 HIS 107 HD1 HIS 107 -19.507 15.988 -9.514 917 HD2 HIS 107 HD2 HIS 107 -17.676 17.887 -6.307 918 HE1 HIS 107 HE1 HIS 107 -20.099 14.624 -7.493 919 HE2 HIS 107 HE2 HIS 107 -19.150 15.908 -5.552 920 H HIS 108 H HIS 108 -17.391 18.773 -11.938 921 HA HIS 108 HA HIS 108 -15.315 20.686 -12.615 922 HB2 HIS 108 3HB HIS 108 -16.797 21.202 -14.570 923 HB3 HIS 108 2HB HIS 108 -17.980 20.068 -13.921 924 HD1 HIS 108 HD1 HIS 108 -14.579 20.187 -15.518 925 HD2 HIS 108 HD2 HIS 108 -17.394 17.370 -14.338 926 HE1 HIS 108 HE1 HIS 108 -13.795 18.009 -16.481 927 HE2 HIS 108 HE2 HIS 108 -15.405 16.298 -15.588 928 H HIS 109 H HIS 109 -16.350 21.233 -10.170 929 HA HIS 109 HA HIS 109 -17.031 23.861 -9.950 930 HB2 HIS 109 3HB HIS 109 -19.528 22.119 -10.010 931 HB3 HIS 109 2HB HIS 109 -19.125 23.377 -11.171 932 HD1 HIS 109 HD1 HIS 109 -20.094 22.977 -7.531 933 HD2 HIS 109 HD2 HIS 109 -19.924 25.909 -10.473 934 HE1 HIS 109 HE1 HIS 109 -21.224 24.985 -6.547 935 HE2 HIS 109 HE2 HIS 109 -21.258 26.682 -8.396 936 H HIS 110 H HIS 110 -17.115 24.396 -7.719 937 HA HIS 110 HA HIS 110 -16.288 22.344 -5.932 938 HB2 HIS 110 3HB HIS 110 -17.256 25.120 -5.205 939 HB3 HIS 110 2HB HIS 110 -15.612 24.737 -5.714 940 HD1 HIS 110 HD1 HIS 110 -18.038 24.043 -2.895 941 HD2 HIS 110 HD2 HIS 110 -13.979 23.731 -3.731 942 HE1 HIS 110 HE1 HIS 110 -16.950 23.396 -0.727 943 HE2 HIS 110 HE2 HIS 110 -14.484 23.398 -1.218 Start of MODEL 5 1 H1 MET 1 1H MET 1 -0.426 16.784 6.816 2 H2 MET 1 2H MET 1 -0.944 17.959 5.719 3 H3 MET 1 3H MET 1 0.618 17.323 5.599 4 HA MET 1 HA MET 1 -1.896 15.795 5.213 5 HB2 MET 1 3HB MET 1 0.135 16.624 3.125 6 HB3 MET 1 2HB MET 1 -1.355 17.505 3.436 7 HG2 MET 1 3HG MET 1 -1.165 14.644 2.509 8 HG3 MET 1 2HG MET 1 -1.573 16.039 1.505 9 HE1 MET 1 3HE MET 1 -3.414 13.450 1.634 10 HE2 MET 1 1HE MET 1 -3.809 14.881 0.678 11 HE3 MET 1 2HE MET 1 -5.013 14.189 1.764 12 H LEU 2 H LEU 2 -1.583 13.688 5.717 13 HA LEU 2 HA LEU 2 1.161 12.655 5.816 14 HB2 LEU 2 3HB LEU 2 0.220 10.784 7.096 15 HB3 LEU 2 2HB LEU 2 -1.394 11.427 6.866 16 HG LEU 2 HG LEU 2 0.707 13.064 8.270 17 HD11 LEU 2 1HD1 LEU 2 -1.361 14.183 7.606 18 HD12 LEU 2 2HD1 LEU 2 -1.198 14.090 9.359 19 HD13 LEU 2 3HD1 LEU 2 -2.297 12.995 8.519 20 HD21 LEU 2 3HD2 LEU 2 0.728 10.946 9.432 21 HD22 LEU 2 1HD2 LEU 2 -1.034 10.940 9.522 22 HD23 LEU 2 2HD2 LEU 2 -0.108 12.148 10.415 23 H LEU 3 H LEU 3 1.798 10.722 4.825 24 HA LEU 3 HA LEU 3 -0.019 9.589 2.787 25 HB2 LEU 3 3HB LEU 3 1.956 9.368 1.272 26 HB3 LEU 3 2HB LEU 3 2.904 10.293 2.421 27 HG LEU 3 HG LEU 3 1.403 12.239 2.057 28 HD11 LEU 3 1HD1 LEU 3 2.204 12.807 -0.180 29 HD12 LEU 3 2HD1 LEU 3 2.626 11.118 -0.467 30 HD13 LEU 3 3HD1 LEU 3 3.471 12.041 0.776 31 HD21 LEU 3 3HD2 LEU 3 0.140 10.462 -0.027 32 HD22 LEU 3 1HD2 LEU 3 -0.142 12.194 0.135 33 HD23 LEU 3 2HD2 LEU 3 -0.628 11.098 1.428 34 H TYR 4 H TYR 4 -0.098 7.395 2.763 35 HA TYR 4 HA TYR 4 2.035 5.884 4.153 36 HB2 TYR 4 3HB TYR 4 0.180 4.299 4.910 37 HB3 TYR 4 2HB TYR 4 -0.954 5.560 4.447 38 HD1 TYR 4 HD1 TYR 4 -1.001 7.709 5.707 39 HD2 TYR 4 HD2 TYR 4 1.451 4.451 6.945 40 HE1 TYR 4 HE1 TYR 4 -0.796 8.716 7.941 41 HE2 TYR 4 HE2 TYR 4 1.662 5.456 9.178 42 HH TYR 4 HH TYR 4 -0.323 7.998 10.243 43 H VAL 5 H VAL 5 2.484 3.801 3.388 44 HA VAL 5 HA VAL 5 1.202 3.043 0.830 45 HB VAL 5 HB VAL 5 4.110 2.636 1.591 46 HG11 VAL 5 1HG1 VAL 5 4.397 1.840 -0.720 47 HG12 VAL 5 2HG1 VAL 5 2.657 1.975 -0.978 48 HG13 VAL 5 3HG1 VAL 5 3.288 0.816 0.193 49 HG21 VAL 5 3HG2 VAL 5 3.631 4.976 1.081 50 HG22 VAL 5 1HG2 VAL 5 2.886 4.505 -0.448 51 HG23 VAL 5 2HG2 VAL 5 4.613 4.248 -0.191 52 H LEU 6 H LEU 6 0.655 0.916 0.554 53 HA LEU 6 HA LEU 6 1.224 -0.982 2.750 54 HB2 LEU 6 3HB LEU 6 -0.959 -2.038 2.250 55 HB3 LEU 6 2HB LEU 6 -1.275 -0.806 1.043 56 HG LEU 6 HG LEU 6 -1.307 0.915 2.817 57 HD11 LEU 6 1HD1 LEU 6 -3.168 -1.412 3.328 58 HD12 LEU 6 2HD1 LEU 6 -3.397 -0.141 2.126 59 HD13 LEU 6 3HD1 LEU 6 -3.427 0.255 3.842 60 HD21 LEU 6 3HD2 LEU 6 -1.323 0.247 5.169 61 HD22 LEU 6 1HD2 LEU 6 0.209 -0.166 4.400 62 HD23 LEU 6 2HD2 LEU 6 -0.991 -1.423 4.704 63 H ILE 7 H ILE 7 2.022 -2.981 2.144 64 HA ILE 7 HA ILE 7 1.939 -3.659 -0.731 65 HB ILE 7 HB ILE 7 4.200 -2.779 -0.010 66 HG12 ILE 7 3HG1 ILE 7 3.857 -4.249 -1.996 67 HG13 ILE 7 2HG1 ILE 7 4.157 -5.653 -0.978 68 HG21 ILE 7 1HG2 ILE 7 5.658 -4.244 1.286 69 HG22 ILE 7 2HG2 ILE 7 4.334 -5.388 1.512 70 HG23 ILE 7 3HG2 ILE 7 4.243 -3.780 2.232 71 HD11 ILE 7 3HD1 ILE 7 6.111 -5.037 -2.289 72 HD12 ILE 7 1HD1 ILE 7 6.420 -4.898 -0.560 73 HD13 ILE 7 2HD1 ILE 7 6.129 -3.450 -1.524 74 H ILE 8 H ILE 8 1.566 -5.794 -1.231 75 HA ILE 8 HA ILE 8 1.347 -7.700 1.020 76 HB ILE 8 HB ILE 8 -0.480 -7.617 -1.397 77 HG12 ILE 8 3HG1 ILE 8 -0.893 -5.705 0.102 78 HG13 ILE 8 2HG1 ILE 8 -1.018 -6.797 1.476 79 HG21 ILE 8 1HG2 ILE 8 -1.790 -9.303 -0.168 80 HG22 ILE 8 2HG2 ILE 8 -0.569 -9.318 1.105 81 HG23 ILE 8 3HG2 ILE 8 -0.158 -9.870 -0.519 82 HD11 ILE 8 3HD1 ILE 8 -3.031 -7.761 0.603 83 HD12 ILE 8 1HD1 ILE 8 -2.876 -6.830 -0.885 84 HD13 ILE 8 2HD1 ILE 8 -3.193 -6.005 0.637 85 H SER 9 H SER 9 3.107 -8.944 0.751 86 HA SER 9 HA SER 9 3.222 -10.730 -1.507 87 HB2 SER 9 3HB SER 9 5.480 -8.753 -1.071 88 HB3 SER 9 2HB SER 9 4.446 -8.875 -2.494 89 HG SER 9 HG SER 9 5.396 -10.799 -3.031 90 H ASN 10 H ASN 10 4.777 -12.442 -1.238 91 HA ASN 10 HA ASN 10 5.548 -12.916 1.560 92 HB2 ASN 10 3HB ASN 10 5.820 -15.278 0.853 93 HB3 ASN 10 2HB ASN 10 5.380 -14.823 -0.791 94 HD21 ASN 10 2HD2 ASN 10 2.148 -15.779 0.070 95 HD22 ASN 10 1HD2 ASN 10 3.569 -16.117 -0.850 96 H ASP 11 H ASP 11 6.861 -11.914 -1.373 97 HA ASP 11 HA ASP 11 9.516 -13.061 -0.918 98 HB2 ASP 11 3HB ASP 11 10.038 -12.025 -3.141 99 HB3 ASP 11 2HB ASP 11 8.376 -11.442 -3.209 100 H LYS 12 H LYS 12 10.636 -11.976 0.595 101 HA LYS 12 HA LYS 12 10.383 -9.286 1.280 102 HB2 LYS 12 3HB LYS 12 12.759 -9.602 2.242 103 HB3 LYS 12 2HB LYS 12 12.621 -11.260 1.673 104 HG2 LYS 12 3HG LYS 12 12.025 -11.146 4.009 105 HG3 LYS 12 2HG LYS 12 10.594 -11.545 3.055 106 HD2 LYS 12 3HD LYS 12 9.833 -9.233 3.174 107 HD3 LYS 12 2HD LYS 12 11.288 -8.777 4.059 108 HE2 LYS 12 3HE LYS 12 9.179 -10.713 5.021 109 HE3 LYS 12 2HE LYS 12 9.363 -9.042 5.554 110 HZ1 LYS 12 3HZ LYS 12 11.388 -11.184 5.910 111 HZ2 LYS 12 1HZ LYS 12 10.359 -10.596 7.117 112 HZ3 LYS 12 2HZ LYS 12 11.534 -9.587 6.440 113 H LYS 13 H LYS 13 12.300 -10.736 -1.294 114 HA LYS 13 HA LYS 13 14.025 -8.611 -1.826 115 HB2 LYS 13 3HB LYS 13 13.924 -9.437 -4.243 116 HB3 LYS 13 2HB LYS 13 12.747 -10.614 -3.686 117 HG2 LYS 13 3HG LYS 13 14.680 -11.848 -3.614 118 HG3 LYS 13 2HG LYS 13 14.597 -11.258 -1.958 119 HD2 LYS 13 3HD LYS 13 16.233 -9.974 -4.155 120 HD3 LYS 13 2HD LYS 13 16.870 -11.104 -2.964 121 HE2 LYS 13 3HE LYS 13 15.694 -8.382 -2.395 122 HE3 LYS 13 2HE LYS 13 17.394 -8.835 -2.306 123 HZ1 LYS 13 3HZ LYS 13 15.278 -10.044 -0.620 124 HZ2 LYS 13 1HZ LYS 13 16.268 -8.768 -0.124 125 HZ3 LYS 13 2HZ LYS 13 16.942 -10.278 -0.484 126 H LEU 14 H LEU 14 10.700 -9.099 -3.010 127 HA LEU 14 HA LEU 14 10.694 -6.681 -4.543 128 HB2 LEU 14 3HB LEU 14 8.364 -8.367 -3.598 129 HB3 LEU 14 2HB LEU 14 9.285 -8.647 -5.063 130 HG LEU 14 HG LEU 14 8.506 -6.135 -5.585 131 HD11 LEU 14 1HD1 LEU 14 6.639 -7.074 -6.869 132 HD12 LEU 14 2HD1 LEU 14 6.790 -8.587 -5.975 133 HD13 LEU 14 3HD1 LEU 14 8.101 -8.047 -7.024 134 HD21 LEU 14 3HD2 LEU 14 6.206 -5.770 -4.842 135 HD22 LEU 14 1HD2 LEU 14 7.310 -5.842 -3.470 136 HD23 LEU 14 2HD2 LEU 14 6.286 -7.226 -3.850 137 H ILE 15 H ILE 15 9.731 -7.540 -1.273 138 HA ILE 15 HA ILE 15 8.346 -5.119 -0.674 139 HB ILE 15 HB ILE 15 9.650 -7.083 1.229 140 HG12 ILE 15 3HG1 ILE 15 7.953 -8.131 -0.247 141 HG13 ILE 15 2HG1 ILE 15 6.775 -6.924 0.259 142 HG21 ILE 15 1HG2 ILE 15 7.551 -4.967 1.742 143 HG22 ILE 15 2HG2 ILE 15 9.225 -4.937 2.299 144 HG23 ILE 15 3HG2 ILE 15 8.114 -6.161 2.913 145 HD11 ILE 15 3HD1 ILE 15 6.416 -9.012 1.415 146 HD12 ILE 15 1HD1 ILE 15 6.909 -7.760 2.552 147 HD13 ILE 15 2HD1 ILE 15 8.068 -8.985 2.031 148 H GLU 16 H GLU 16 11.643 -6.231 0.133 149 HA GLU 16 HA GLU 16 12.480 -4.010 1.590 150 HB2 GLU 16 3HB GLU 16 14.800 -4.729 1.020 151 HB3 GLU 16 2HB GLU 16 14.130 -5.873 -0.136 152 HG2 GLU 16 3HG GLU 16 12.996 -7.055 1.678 153 HG3 GLU 16 2HG GLU 16 13.646 -5.903 2.843 154 H GLU 17 H GLU 17 13.007 -4.682 -1.891 155 HA GLU 17 HA GLU 17 14.398 -2.340 -2.509 156 HB2 GLU 17 3HB GLU 17 13.747 -2.742 -4.837 157 HB3 GLU 17 2HB GLU 17 12.498 -3.862 -4.309 158 HG2 GLU 17 3HG GLU 17 14.416 -5.078 -5.119 159 HG3 GLU 17 2HG GLU 17 14.218 -5.342 -3.391 160 H ALA 18 H ALA 18 10.916 -2.906 -2.317 161 HA ALA 18 HA ALA 18 10.098 -0.359 -3.269 162 HB1 ALA 18 3HB ALA 18 8.577 -2.277 -3.153 163 HB2 ALA 18 1HB ALA 18 7.932 -0.891 -2.272 164 HB3 ALA 18 2HB ALA 18 8.656 -2.237 -1.392 165 H ARG 19 H ARG 19 10.661 -1.616 0.021 166 HA ARG 19 HA ARG 19 10.008 0.733 1.432 167 HB2 ARG 19 3HB ARG 19 11.427 -0.227 3.267 168 HB3 ARG 19 2HB ARG 19 11.922 -1.497 2.155 169 HG2 ARG 19 3HG ARG 19 9.674 -2.337 2.014 170 HG3 ARG 19 2HG ARG 19 9.060 -0.977 2.957 171 HD2 ARG 19 3HD ARG 19 10.903 -3.165 3.915 172 HD3 ARG 19 2HD ARG 19 9.223 -2.912 4.384 173 HE ARG 19 HE ARG 19 11.546 -1.419 5.298 174 HH11 ARG 19 1HH1 ARG 19 8.113 -1.668 5.222 175 HH12 ARG 19 2HH1 ARG 19 7.891 -0.583 6.545 176 HH21 ARG 19 2HH2 ARG 19 9.638 0.302 7.560 177 HH22 ARG 19 1HH2 ARG 19 11.244 -0.043 7.019 178 H LYS 20 H LYS 20 13.061 -0.345 0.020 179 HA LYS 20 HA LYS 20 14.747 1.609 1.111 180 HB2 LYS 20 3HB LYS 20 16.259 1.068 -0.800 181 HB3 LYS 20 2HB LYS 20 14.957 0.124 -1.522 182 HG2 LYS 20 3HG LYS 20 14.929 -1.276 0.551 183 HG3 LYS 20 2HG LYS 20 16.352 -0.397 1.100 184 HD2 LYS 20 3HD LYS 20 17.617 -1.182 -0.833 185 HD3 LYS 20 2HD LYS 20 16.188 -2.020 -1.442 186 HE2 LYS 20 3HE LYS 20 16.156 -3.419 0.585 187 HE3 LYS 20 2HE LYS 20 17.608 -2.602 1.159 188 HZ1 LYS 20 3HZ LYS 20 17.398 -4.240 -1.303 189 HZ2 LYS 20 1HZ LYS 20 18.160 -4.695 0.138 190 HZ3 LYS 20 2HZ LYS 20 18.792 -3.427 -0.784 191 H MET 21 H MET 21 12.602 1.763 -1.678 192 HA MET 21 HA MET 21 13.366 4.470 -2.356 193 HB2 MET 21 3HB MET 21 11.121 4.373 -3.635 194 HB3 MET 21 2HB MET 21 11.051 2.687 -3.139 195 HG2 MET 21 3HG MET 21 11.951 2.737 -5.322 196 HG3 MET 21 2HG MET 21 13.284 2.369 -4.226 197 HE1 MET 21 3HE MET 21 11.542 5.845 -4.866 198 HE2 MET 21 1HE MET 21 11.577 5.107 -6.469 199 HE3 MET 21 2HE MET 21 12.576 6.520 -6.126 200 H ALA 22 H ALA 22 10.624 2.987 -0.623 201 HA ALA 22 HA ALA 22 9.089 5.247 -0.179 202 HB1 ALA 22 3HB ALA 22 8.326 2.962 0.256 203 HB2 ALA 22 1HB ALA 22 8.040 4.014 1.643 204 HB3 ALA 22 2HB ALA 22 9.385 2.873 1.662 205 H GLU 23 H GLU 23 11.618 3.923 1.977 206 HA GLU 23 HA GLU 23 11.529 5.754 4.047 207 HB2 GLU 23 3HB GLU 23 14.013 5.297 4.280 208 HB3 GLU 23 2HB GLU 23 13.913 4.380 2.784 209 HG2 GLU 23 3HG GLU 23 13.842 2.847 4.607 210 HG3 GLU 23 2HG GLU 23 12.242 2.891 3.868 211 H LYS 24 H LYS 24 13.265 6.039 0.964 212 HA LYS 24 HA LYS 24 14.381 8.613 1.547 213 HB2 LYS 24 3HB LYS 24 14.863 8.568 -0.994 214 HB3 LYS 24 2HB LYS 24 14.204 6.936 -0.958 215 HG2 LYS 24 3HG LYS 24 16.571 7.927 0.611 216 HG3 LYS 24 2HG LYS 24 16.637 6.911 -0.818 217 HD2 LYS 24 3HD LYS 24 15.679 5.077 0.319 218 HD3 LYS 24 2HD LYS 24 15.185 6.072 1.685 219 HE2 LYS 24 3HE LYS 24 18.061 5.590 0.931 220 HE3 LYS 24 2HE LYS 24 17.178 4.611 2.101 221 HZ1 LYS 24 3HZ LYS 24 16.791 6.626 3.409 222 HZ2 LYS 24 1HZ LYS 24 17.714 7.523 2.311 223 HZ3 LYS 24 2HZ LYS 24 18.437 6.300 3.227 224 H ALA 25 H ALA 25 11.441 7.490 0.061 225 HA ALA 25 HA ALA 25 10.659 10.115 -0.891 226 HB1 ALA 25 3HB ALA 25 9.042 7.574 -0.670 227 HB2 ALA 25 1HB ALA 25 9.953 8.093 -2.090 228 HB3 ALA 25 2HB ALA 25 8.570 9.039 -1.536 229 H ASN 26 H ASN 26 10.961 8.901 2.100 230 HA ASN 26 HA ASN 26 10.237 9.473 4.162 231 HB2 ASN 26 3HB ASN 26 9.079 11.641 4.448 232 HB3 ASN 26 2HB ASN 26 8.856 11.741 2.704 233 HD21 ASN 26 2HD2 ASN 26 11.773 13.658 2.744 234 HD22 ASN 26 1HD2 ASN 26 10.055 13.640 2.568 235 H LEU 27 H LEU 27 8.628 7.685 2.419 236 HA LEU 27 HA LEU 27 5.949 8.008 3.613 237 HB2 LEU 27 3HB LEU 27 5.125 6.564 1.850 238 HB3 LEU 27 2HB LEU 27 6.758 6.237 1.299 239 HG LEU 27 HG LEU 27 7.000 8.543 0.540 240 HD11 LEU 27 1HD1 LEU 27 5.396 8.522 -1.293 241 HD12 LEU 27 2HD1 LEU 27 4.428 7.312 -0.451 242 HD13 LEU 27 3HD1 LEU 27 6.052 6.911 -1.010 243 HD21 LEU 27 3HD2 LEU 27 4.183 8.941 1.555 244 HD22 LEU 27 1HD2 LEU 27 5.092 10.098 0.582 245 HD23 LEU 27 2HD2 LEU 27 5.646 9.683 2.204 246 H GLU 28 H GLU 28 5.343 6.629 5.193 247 HA GLU 28 HA GLU 28 6.980 4.402 5.973 248 HB2 GLU 28 3HB GLU 28 4.999 3.962 7.560 249 HB3 GLU 28 2HB GLU 28 4.323 5.458 6.928 250 HG2 GLU 28 3HG GLU 28 5.436 5.994 8.951 251 HG3 GLU 28 2HG GLU 28 6.437 6.611 7.637 252 H LEU 29 H LEU 29 7.022 2.574 4.834 253 HA LEU 29 HA LEU 29 4.643 1.638 3.415 254 HB2 LEU 29 3HB LEU 29 7.465 0.544 3.413 255 HB3 LEU 29 2HB LEU 29 6.857 1.740 2.288 256 HG LEU 29 HG LEU 29 5.097 -0.096 1.662 257 HD11 LEU 29 1HD1 LEU 29 6.872 0.757 0.182 258 HD12 LEU 29 2HD1 LEU 29 6.585 -0.968 -0.040 259 HD13 LEU 29 3HD1 LEU 29 7.992 -0.420 0.872 260 HD21 LEU 29 3HD2 LEU 29 7.270 -1.757 2.947 261 HD22 LEU 29 1HD2 LEU 29 6.025 -2.388 1.868 262 HD23 LEU 29 2HD2 LEU 29 5.573 -1.686 3.418 263 H ARG 30 H ARG 30 3.345 0.121 4.222 264 HA ARG 30 HA ARG 30 4.184 -1.337 6.643 265 HB2 ARG 30 3HB ARG 30 1.885 -1.437 7.253 266 HB3 ARG 30 2HB ARG 30 1.355 -1.006 5.633 267 HG2 ARG 30 3HG ARG 30 1.021 0.882 7.053 268 HG3 ARG 30 2HG ARG 30 2.354 1.251 5.962 269 HD2 ARG 30 3HD ARG 30 3.025 2.036 8.087 270 HD3 ARG 30 2HD ARG 30 3.917 0.539 7.822 271 HE ARG 30 HE ARG 30 2.668 -0.491 9.496 272 HH11 ARG 30 1HH1 ARG 30 1.564 2.723 8.941 273 HH12 ARG 30 2HH1 ARG 30 0.635 2.777 10.399 274 HH21 ARG 30 2HH2 ARG 30 0.620 1.067 11.774 275 HH22 ARG 30 1HH2 ARG 30 1.497 -0.382 11.406 276 H THR 31 H THR 31 4.074 -3.576 6.755 277 HA THR 31 HA THR 31 3.790 -4.938 4.167 278 HB THR 31 HB THR 31 4.903 -6.872 5.269 279 HG1 THR 31 HG1 THR 31 4.186 -6.024 7.482 280 HG21 THR 31 3HG2 THR 31 7.122 -5.838 5.418 281 HG22 THR 31 1HG2 THR 31 6.377 -4.242 5.521 282 HG23 THR 31 2HG2 THR 31 6.214 -5.197 4.048 283 H VAL 32 H VAL 32 2.110 -6.131 3.663 284 HA VAL 32 HA VAL 32 0.295 -7.127 5.782 285 HB VAL 32 HB VAL 32 -0.428 -6.106 3.020 286 HG11 VAL 32 1HG1 VAL 32 -2.241 -7.124 5.210 287 HG12 VAL 32 2HG1 VAL 32 -1.873 -7.962 3.704 288 HG13 VAL 32 3HG1 VAL 32 -2.758 -6.439 3.670 289 HG21 VAL 32 3HG2 VAL 32 -1.003 -4.927 5.744 290 HG22 VAL 32 1HG2 VAL 32 -1.592 -4.296 4.206 291 HG23 VAL 32 2HG2 VAL 32 0.136 -4.293 4.556 292 H LYS 33 H LYS 33 -0.601 -9.201 5.487 293 HA LYS 33 HA LYS 33 0.306 -10.717 3.119 294 HB2 LYS 33 3HB LYS 33 0.504 -12.718 4.579 295 HB3 LYS 33 2HB LYS 33 0.198 -11.690 5.973 296 HG2 LYS 33 3HG LYS 33 2.210 -10.386 5.438 297 HG3 LYS 33 2HG LYS 33 2.522 -11.451 4.068 298 HD2 LYS 33 3HD LYS 33 3.895 -12.288 5.749 299 HD3 LYS 33 2HD LYS 33 2.500 -13.361 5.783 300 HE2 LYS 33 3HE LYS 33 2.968 -11.026 7.644 301 HE3 LYS 33 2HE LYS 33 3.220 -12.723 8.044 302 HZ1 LYS 33 3HZ LYS 33 1.131 -12.069 8.909 303 HZ2 LYS 33 1HZ LYS 33 0.822 -13.076 7.591 304 HZ3 LYS 33 2HZ LYS 33 0.631 -11.402 7.441 305 H THR 34 H THR 34 -2.219 -10.347 5.592 306 HA THR 34 HA THR 34 -4.074 -11.854 3.841 307 HB THR 34 HB THR 34 -5.232 -12.743 5.778 308 HG1 THR 34 HG1 THR 34 -3.249 -11.730 7.524 309 HG21 THR 34 3HG2 THR 34 -2.245 -13.167 6.020 310 HG22 THR 34 1HG2 THR 34 -3.338 -14.059 4.961 311 HG23 THR 34 2HG2 THR 34 -3.488 -14.211 6.712 312 H GLU 35 H GLU 35 -6.465 -11.418 4.588 313 HA GLU 35 HA GLU 35 -7.087 -8.767 3.982 314 HB2 GLU 35 3HB GLU 35 -8.806 -10.863 5.331 315 HB3 GLU 35 2HB GLU 35 -8.696 -10.541 3.604 316 HG2 GLU 35 3HG GLU 35 -9.705 -8.349 3.920 317 HG3 GLU 35 2HG GLU 35 -9.753 -8.602 5.662 318 H ASP 36 H ASP 36 -7.242 -10.355 7.201 319 HA ASP 36 HA ASP 36 -8.219 -8.181 8.644 320 HB2 ASP 36 3HB ASP 36 -6.279 -10.289 9.634 321 HB3 ASP 36 2HB ASP 36 -8.026 -10.484 9.541 322 H GLU 37 H GLU 37 -4.888 -8.978 7.770 323 HA GLU 37 HA GLU 37 -3.601 -6.916 9.191 324 HB2 GLU 37 3HB GLU 37 -1.767 -7.237 7.492 325 HB3 GLU 37 2HB GLU 37 -2.830 -8.352 6.643 326 HG2 GLU 37 3HG GLU 37 -2.940 -9.707 8.755 327 HG3 GLU 37 2HG GLU 37 -1.681 -8.661 9.409 328 H LEU 38 H LEU 38 -4.601 -6.982 5.734 329 HA LEU 38 HA LEU 38 -3.890 -4.370 5.078 330 HB2 LEU 38 3HB LEU 38 -6.390 -5.677 4.009 331 HB3 LEU 38 2HB LEU 38 -4.808 -6.312 3.616 332 HG LEU 38 HG LEU 38 -5.544 -4.954 1.787 333 HD11 LEU 38 1HD1 LEU 38 -7.193 -3.581 2.959 334 HD12 LEU 38 2HD1 LEU 38 -6.103 -2.605 1.975 335 HD13 LEU 38 3HD1 LEU 38 -5.890 -2.670 3.725 336 HD21 LEU 38 3HD2 LEU 38 -3.749 -3.294 1.651 337 HD22 LEU 38 1HD2 LEU 38 -3.171 -4.829 2.298 338 HD23 LEU 38 2HD2 LEU 38 -3.455 -3.466 3.382 339 H LYS 39 H LYS 39 -7.014 -5.558 6.296 340 HA LYS 39 HA LYS 39 -8.357 -3.146 6.635 341 HB2 LYS 39 3HB LYS 39 -8.486 -5.758 8.148 342 HB3 LYS 39 2HB LYS 39 -9.525 -5.226 6.834 343 HG2 LYS 39 3HG LYS 39 -10.448 -3.470 8.301 344 HG3 LYS 39 2HG LYS 39 -9.448 -4.082 9.623 345 HD2 LYS 39 3HD LYS 39 -11.617 -5.604 8.164 346 HD3 LYS 39 2HD LYS 39 -11.717 -4.951 9.800 347 HE2 LYS 39 3HE LYS 39 -9.753 -7.066 8.905 348 HE3 LYS 39 2HE LYS 39 -11.261 -7.385 9.758 349 HZ1 LYS 39 3HZ LYS 39 -10.453 -6.147 11.641 350 HZ2 LYS 39 1HZ LYS 39 -9.029 -5.745 10.825 351 HZ3 LYS 39 2HZ LYS 39 -9.339 -7.350 11.241 352 H LYS 40 H LYS 40 -6.065 -4.776 8.790 353 HA LYS 40 HA LYS 40 -6.395 -3.384 11.152 354 HB2 LYS 40 3HB LYS 40 -3.670 -4.107 10.068 355 HB3 LYS 40 2HB LYS 40 -4.808 -5.339 10.588 356 HG2 LYS 40 3HG LYS 40 -3.968 -3.091 12.401 357 HG3 LYS 40 2HG LYS 40 -3.033 -4.582 12.258 358 HD2 LYS 40 3HD LYS 40 -5.953 -4.415 13.031 359 HD3 LYS 40 2HD LYS 40 -4.606 -4.662 14.150 360 HE2 LYS 40 3HE LYS 40 -4.041 -6.756 13.072 361 HE3 LYS 40 2HE LYS 40 -5.283 -6.499 11.849 362 HZ1 LYS 40 3HZ LYS 40 -6.954 -6.599 13.600 363 HZ2 LYS 40 1HZ LYS 40 -5.756 -6.910 14.750 364 HZ3 LYS 40 2HZ LYS 40 -6.062 -8.029 13.514 365 H TYR 41 H TYR 41 -4.172 -2.583 8.500 366 HA TYR 41 HA TYR 41 -3.209 -0.198 9.705 367 HB2 TYR 41 3HB TYR 41 -2.129 0.217 7.534 368 HB3 TYR 41 2HB TYR 41 -3.093 -1.065 6.804 369 HD1 TYR 41 HD1 TYR 41 -0.270 -0.314 9.031 370 HD2 TYR 41 HD2 TYR 41 -2.608 -3.403 7.277 371 HE1 TYR 41 HE1 TYR 41 1.427 -1.969 9.684 372 HE2 TYR 41 HE2 TYR 41 -0.922 -5.064 7.930 373 HH TYR 41 HH TYR 41 1.405 -5.197 8.495 374 H LEU 42 H LEU 42 -5.755 -0.851 7.325 375 HA LEU 42 HA LEU 42 -6.404 1.803 6.687 376 HB2 LEU 42 3HB LEU 42 -8.681 0.915 6.158 377 HB3 LEU 42 2HB LEU 42 -8.198 -0.621 6.850 378 HG LEU 42 HG LEU 42 -6.519 -0.921 5.113 379 HD11 LEU 42 1HD1 LEU 42 -9.199 -0.134 3.961 380 HD12 LEU 42 2HD1 LEU 42 -8.796 -1.693 4.681 381 HD13 LEU 42 3HD1 LEU 42 -8.002 -1.180 3.193 382 HD21 LEU 42 3HD2 LEU 42 -6.337 0.658 3.237 383 HD22 LEU 42 1HD2 LEU 42 -5.870 1.402 4.765 384 HD23 LEU 42 2HD2 LEU 42 -7.445 1.758 4.057 385 H GLU 43 H GLU 43 -7.482 -0.228 9.399 386 HA GLU 43 HA GLU 43 -9.333 1.541 10.548 387 HB2 GLU 43 3HB GLU 43 -8.860 0.365 12.689 388 HB3 GLU 43 2HB GLU 43 -7.480 -0.417 11.932 389 HG2 GLU 43 3HG GLU 43 -8.952 -1.553 10.368 390 HG3 GLU 43 2HG GLU 43 -10.349 -0.746 11.076 391 H GLU 44 H GLU 44 -5.818 1.315 10.947 392 HA GLU 44 HA GLU 44 -5.566 3.452 12.801 393 HB2 GLU 44 3HB GLU 44 -3.579 2.273 10.845 394 HB3 GLU 44 2HB GLU 44 -3.802 1.797 12.522 395 HG2 GLU 44 3HG GLU 44 -3.103 4.115 13.181 396 HG3 GLU 44 2HG GLU 44 -2.683 4.394 11.490 397 H PHE 45 H PHE 45 -5.468 3.302 9.260 398 HA PHE 45 HA PHE 45 -4.782 6.012 8.818 399 HB2 PHE 45 3HB PHE 45 -5.560 5.653 6.517 400 HB3 PHE 45 2HB PHE 45 -6.337 4.148 7.005 401 HD1 PHE 45 HD1 PHE 45 -5.054 2.986 5.248 402 HD2 PHE 45 HD2 PHE 45 -3.104 4.955 8.488 403 HE1 PHE 45 HE1 PHE 45 -2.990 1.738 4.767 404 HE2 PHE 45 HE2 PHE 45 -1.041 3.707 8.006 405 HZ PHE 45 HZ PHE 45 -0.983 2.097 6.146 406 H ARG 46 H ARG 46 -7.800 4.463 9.608 407 HA ARG 46 HA ARG 46 -9.580 6.558 8.948 408 HB2 ARG 46 3HB ARG 46 -11.026 5.567 10.772 409 HB3 ARG 46 2HB ARG 46 -9.702 4.476 11.146 410 HG2 ARG 46 3HG ARG 46 -11.087 3.187 9.810 411 HG3 ARG 46 2HG ARG 46 -9.865 3.757 8.675 412 HD2 ARG 46 3HD ARG 46 -12.580 5.015 9.068 413 HD3 ARG 46 2HD ARG 46 -12.169 3.889 7.777 414 HE ARG 46 HE ARG 46 -10.351 5.850 7.458 415 HH11 ARG 46 1HH1 ARG 46 -13.783 5.875 7.764 416 HH12 ARG 46 2HH1 ARG 46 -13.965 7.273 6.764 417 HH21 ARG 46 2HH2 ARG 46 -12.221 8.238 5.853 418 HH22 ARG 46 1HH2 ARG 46 -10.625 7.645 6.152 419 H LYS 47 H LYS 47 -7.287 6.181 11.522 420 HA LYS 47 HA LYS 47 -8.353 8.258 13.211 421 HB2 LYS 47 3HB LYS 47 -6.346 7.917 14.550 422 HB3 LYS 47 2HB LYS 47 -5.601 6.991 13.251 423 HG2 LYS 47 3HG LYS 47 -7.382 5.287 13.487 424 HG3 LYS 47 2HG LYS 47 -8.035 6.194 14.850 425 HD2 LYS 47 3HD LYS 47 -5.230 5.079 14.734 426 HD3 LYS 47 2HD LYS 47 -6.591 4.272 15.512 427 HE2 LYS 47 3HE LYS 47 -5.593 7.019 16.262 428 HE3 LYS 47 2HE LYS 47 -5.130 5.530 17.085 429 HZ1 LYS 47 3HZ LYS 47 -6.935 6.690 18.220 430 HZ2 LYS 47 1HZ LYS 47 -7.422 5.161 17.685 431 HZ3 LYS 47 2HZ LYS 47 -7.908 6.547 16.847 432 H GLU 48 H GLU 48 -5.757 8.006 10.798 433 HA GLU 48 HA GLU 48 -5.171 10.861 10.991 434 HB2 GLU 48 3HB GLU 48 -3.613 10.296 9.009 435 HB3 GLU 48 2HB GLU 48 -3.998 8.617 9.349 436 HG2 GLU 48 3HG GLU 48 -2.807 10.510 11.365 437 HG3 GLU 48 2HG GLU 48 -1.862 9.438 10.336 438 H SER 49 H SER 49 -7.766 9.554 9.881 439 HA SER 49 HA SER 49 -8.043 9.869 7.145 440 HB2 SER 49 3HB SER 49 -9.763 8.828 8.513 441 HB3 SER 49 2HB SER 49 -10.474 10.159 7.598 442 HG SER 49 HG SER 49 -10.679 9.826 10.135 443 H GLN 50 H GLN 50 -7.692 12.354 9.489 444 HA GLN 50 HA GLN 50 -9.162 14.448 8.366 445 HB2 GLN 50 3HB GLN 50 -7.861 15.917 9.750 446 HB3 GLN 50 2HB GLN 50 -6.542 14.757 9.839 447 HG2 GLN 50 3HG GLN 50 -7.823 14.838 11.917 448 HG3 GLN 50 2HG GLN 50 -7.911 13.251 11.159 449 HE21 GLN 50 2HE2 GLN 50 -11.366 13.322 10.651 450 HE22 GLN 50 1HE2 GLN 50 -9.870 12.541 10.294 451 H ASN 51 H ASN 51 -5.745 13.573 7.845 452 HA ASN 51 HA ASN 51 -5.878 14.716 5.144 453 HB2 ASN 51 3HB ASN 51 -3.862 15.988 5.335 454 HB3 ASN 51 2HB ASN 51 -3.489 15.306 6.911 455 HD21 ASN 51 2HD2 ASN 51 -5.339 17.592 8.721 456 HD22 ASN 51 1HD2 ASN 51 -4.468 16.106 8.718 457 H ILE 52 H ILE 52 -5.666 12.638 4.187 458 HA ILE 52 HA ILE 52 -3.061 11.407 4.395 459 HB ILE 52 HB ILE 52 -4.170 10.514 6.397 460 HG12 ILE 52 3HG1 ILE 52 -2.500 9.138 5.183 461 HG13 ILE 52 2HG1 ILE 52 -3.800 8.411 4.242 462 HG21 ILE 52 1HG2 ILE 52 -6.172 9.324 4.474 463 HG22 ILE 52 2HG2 ILE 52 -6.487 10.608 5.640 464 HG23 ILE 52 3HG2 ILE 52 -6.083 8.988 6.202 465 HD11 ILE 52 3HD1 ILE 52 -3.461 8.188 7.223 466 HD12 ILE 52 1HD1 ILE 52 -3.065 6.949 6.033 467 HD13 ILE 52 2HD1 ILE 52 -4.741 7.444 6.262 468 H LYS 53 H LYS 53 -2.512 10.242 2.633 469 HA LYS 53 HA LYS 53 -4.665 9.164 0.911 470 HB2 LYS 53 3HB LYS 53 -3.270 9.477 -1.046 471 HB3 LYS 53 2HB LYS 53 -1.935 10.055 -0.060 472 HG2 LYS 53 3HG LYS 53 -3.084 12.079 0.457 473 HG3 LYS 53 2HG LYS 53 -4.573 11.492 -0.291 474 HD2 LYS 53 3HD LYS 53 -1.969 11.990 -1.751 475 HD3 LYS 53 2HD LYS 53 -3.347 13.092 -1.731 476 HE2 LYS 53 3HE LYS 53 -4.742 11.407 -2.805 477 HE3 LYS 53 2HE LYS 53 -3.403 10.260 -2.782 478 HZ1 LYS 53 3HZ LYS 53 -3.421 12.836 -4.257 479 HZ2 LYS 53 1HZ LYS 53 -3.659 11.309 -4.941 480 HZ3 LYS 53 2HZ LYS 53 -2.169 11.697 -4.252 481 H VAL 54 H VAL 54 -4.498 7.006 0.394 482 HA VAL 54 HA VAL 54 -2.141 5.577 1.468 483 HB VAL 54 HB VAL 54 -4.945 4.514 1.075 484 HG11 VAL 54 1HG1 VAL 54 -3.270 2.755 0.861 485 HG12 VAL 54 2HG1 VAL 54 -4.168 2.572 2.368 486 HG13 VAL 54 3HG1 VAL 54 -2.538 3.245 2.390 487 HG21 VAL 54 3HG2 VAL 54 -5.098 4.553 3.525 488 HG22 VAL 54 1HG2 VAL 54 -4.864 6.170 2.860 489 HG23 VAL 54 2HG2 VAL 54 -3.512 5.320 3.610 490 H LEU 55 H LEU 55 -0.956 4.300 0.174 491 HA LEU 55 HA LEU 55 -1.935 3.699 -2.554 492 HB2 LEU 55 3HB LEU 55 0.900 3.729 -1.491 493 HB3 LEU 55 2HB LEU 55 0.161 5.020 -2.417 494 HG LEU 55 HG LEU 55 0.621 2.216 -3.459 495 HD11 LEU 55 1HD1 LEU 55 0.152 3.218 -5.652 496 HD12 LEU 55 2HD1 LEU 55 -0.235 4.747 -4.864 497 HD13 LEU 55 3HD1 LEU 55 -1.233 3.324 -4.563 498 HD21 LEU 55 3HD2 LEU 55 2.742 3.356 -3.022 499 HD22 LEU 55 1HD2 LEU 55 2.203 4.736 -3.978 500 HD23 LEU 55 2HD2 LEU 55 2.457 3.171 -4.753 501 H ILE 56 H ILE 56 -2.070 1.544 -3.207 502 HA ILE 56 HA ILE 56 -1.274 -0.496 -1.215 503 HB ILE 56 HB ILE 56 -3.788 -0.535 -2.905 504 HG12 ILE 56 3HG1 ILE 56 -3.934 1.064 -1.040 505 HG13 ILE 56 2HG1 ILE 56 -3.427 -0.187 0.088 506 HG21 ILE 56 1HG2 ILE 56 -2.869 -2.778 -2.580 507 HG22 ILE 56 2HG2 ILE 56 -4.361 -2.575 -1.662 508 HG23 ILE 56 3HG2 ILE 56 -2.803 -2.510 -0.836 509 HD11 ILE 56 3HD1 ILE 56 -5.812 0.170 0.214 510 HD12 ILE 56 1HD1 ILE 56 -5.465 -1.447 -0.395 511 HD13 ILE 56 2HD1 ILE 56 -5.977 -0.177 -1.507 512 H LEU 57 H LEU 57 0.111 -1.949 -1.981 513 HA LEU 57 HA LEU 57 0.156 -2.525 -4.880 514 HB2 LEU 57 3HB LEU 57 2.559 -3.200 -4.516 515 HB3 LEU 57 2HB LEU 57 2.443 -2.538 -2.898 516 HG LEU 57 HG LEU 57 3.566 -1.059 -4.596 517 HD11 LEU 57 1HD1 LEU 57 0.774 -0.739 -5.695 518 HD12 LEU 57 2HD1 LEU 57 2.103 -1.578 -6.496 519 HD13 LEU 57 3HD1 LEU 57 2.212 0.156 -6.194 520 HD21 LEU 57 3HD2 LEU 57 2.648 -0.153 -2.516 521 HD22 LEU 57 1HD2 LEU 57 1.089 0.087 -3.308 522 HD23 LEU 57 2HD2 LEU 57 2.502 0.993 -3.850 523 H VAL 58 H VAL 58 -0.593 -4.487 -5.340 524 HA VAL 58 HA VAL 58 -0.409 -6.606 -3.286 525 HB VAL 58 HB VAL 58 -2.469 -7.556 -4.234 526 HG11 VAL 58 1HG1 VAL 58 -4.020 -5.910 -3.374 527 HG12 VAL 58 2HG1 VAL 58 -2.821 -4.630 -3.557 528 HG13 VAL 58 3HG1 VAL 58 -2.568 -5.911 -2.375 529 HG21 VAL 58 3HG2 VAL 58 -2.465 -5.109 -6.010 530 HG22 VAL 58 1HG2 VAL 58 -3.792 -6.259 -5.859 531 HG23 VAL 58 2HG2 VAL 58 -2.249 -6.781 -6.534 532 H SER 59 H SER 59 -0.129 -8.782 -3.998 533 HA SER 59 HA SER 59 1.634 -9.043 -6.271 534 HB2 SER 59 3HB SER 59 2.152 -10.222 -4.194 535 HB3 SER 59 2HB SER 59 1.893 -11.382 -5.493 536 HG SER 59 HG SER 59 0.801 -12.015 -3.599 537 H ASN 60 H ASN 60 -1.497 -10.498 -5.345 538 HA ASN 60 HA ASN 60 -1.831 -11.397 -8.146 539 HB2 ASN 60 3HB ASN 60 -3.264 -13.195 -7.280 540 HB3 ASN 60 2HB ASN 60 -3.036 -12.597 -5.638 541 HD21 ASN 60 2HD2 ASN 60 0.125 -14.010 -5.225 542 HD22 ASN 60 1HD2 ASN 60 -1.031 -12.876 -4.638 543 H ASP 61 H ASP 61 -4.011 -11.441 -9.011 544 HA ASP 61 HA ASP 61 -5.465 -9.085 -8.693 545 HB2 ASP 61 3HB ASP 61 -5.698 -10.310 -10.721 546 HB3 ASP 61 2HB ASP 61 -7.283 -10.319 -9.952 547 H GLU 62 H GLU 62 -6.050 -12.280 -7.259 548 HA GLU 62 HA GLU 62 -8.416 -11.795 -5.909 549 HB2 GLU 62 3HB GLU 62 -6.033 -13.424 -4.998 550 HB3 GLU 62 2HB GLU 62 -7.343 -13.989 -6.023 551 HG2 GLU 62 3HG GLU 62 -8.915 -13.580 -4.135 552 HG3 GLU 62 2HG GLU 62 -7.521 -13.198 -3.124 553 H GLU 63 H GLU 63 -5.102 -11.239 -4.695 554 HA GLU 63 HA GLU 63 -5.767 -10.020 -2.262 555 HB2 GLU 63 3HB GLU 63 -3.497 -9.089 -2.303 556 HB3 GLU 63 2HB GLU 63 -3.372 -9.431 -4.022 557 HG2 GLU 63 3HG GLU 63 -2.146 -11.069 -2.713 558 HG3 GLU 63 2HG GLU 63 -3.482 -11.822 -3.580 559 H LEU 64 H LEU 64 -5.495 -8.701 -5.509 560 HA LEU 64 HA LEU 64 -5.629 -5.954 -4.933 561 HB2 LEU 64 3HB LEU 64 -6.668 -7.443 -7.352 562 HB3 LEU 64 2HB LEU 64 -5.017 -6.897 -7.130 563 HG LEU 64 HG LEU 64 -7.393 -5.031 -7.267 564 HD11 LEU 64 1HD1 LEU 64 -4.425 -4.520 -7.466 565 HD12 LEU 64 2HD1 LEU 64 -5.465 -4.117 -6.099 566 HD13 LEU 64 3HD1 LEU 64 -5.700 -3.311 -7.650 567 HD21 LEU 64 3HD2 LEU 64 -7.181 -6.220 -9.380 568 HD22 LEU 64 1HD2 LEU 64 -5.464 -5.821 -9.455 569 HD23 LEU 64 2HD2 LEU 64 -6.674 -4.541 -9.562 570 H ASP 65 H ASP 65 -8.245 -8.241 -5.765 571 HA ASP 65 HA ASP 65 -10.297 -6.287 -5.582 572 HB2 ASP 65 3HB ASP 65 -10.875 -9.213 -5.262 573 HB3 ASP 65 2HB ASP 65 -10.256 -8.616 -6.800 574 H LYS 66 H LYS 66 -8.925 -8.559 -3.261 575 HA LYS 66 HA LYS 66 -10.801 -8.178 -1.187 576 HB2 LYS 66 3HB LYS 66 -8.918 -8.895 0.328 577 HB3 LYS 66 2HB LYS 66 -7.855 -8.870 -1.073 578 HG2 LYS 66 3HG LYS 66 -8.627 -11.130 -0.566 579 HG3 LYS 66 2HG LYS 66 -9.194 -10.595 -2.149 580 HD2 LYS 66 3HD LYS 66 -10.992 -11.727 -0.972 581 HD3 LYS 66 2HD LYS 66 -11.378 -10.012 -1.152 582 HE2 LYS 66 3HE LYS 66 -10.506 -9.656 1.170 583 HE3 LYS 66 2HE LYS 66 -10.383 -11.408 1.328 584 HZ1 LYS 66 3HZ LYS 66 -12.881 -9.918 0.738 585 HZ2 LYS 66 1HZ LYS 66 -12.448 -10.532 2.256 586 HZ3 LYS 66 2HZ LYS 66 -12.752 -11.587 0.964 587 H ALA 67 H ALA 67 -7.803 -6.435 -1.962 588 HA ALA 67 HA ALA 67 -7.743 -4.697 0.228 589 HB1 ALA 67 3HB ALA 67 -6.776 -4.139 -2.578 590 HB2 ALA 67 1HB ALA 67 -5.875 -5.012 -1.340 591 HB3 ALA 67 2HB ALA 67 -6.264 -3.307 -1.110 592 H LYS 68 H LYS 68 -9.327 -4.279 -2.946 593 HA LYS 68 HA LYS 68 -10.255 -1.648 -2.358 594 HB2 LYS 68 3HB LYS 68 -9.999 -2.142 -4.646 595 HB3 LYS 68 2HB LYS 68 -11.730 -1.983 -4.384 596 HG2 LYS 68 3HG LYS 68 -12.001 -4.381 -4.413 597 HG3 LYS 68 2HG LYS 68 -10.254 -4.604 -4.531 598 HD2 LYS 68 3HD LYS 68 -11.033 -4.884 -6.729 599 HD3 LYS 68 2HD LYS 68 -10.386 -3.244 -6.693 600 HE2 LYS 68 3HE LYS 68 -12.453 -3.152 -7.865 601 HE3 LYS 68 2HE LYS 68 -12.727 -2.425 -6.283 602 HZ1 LYS 68 3HZ LYS 68 -13.754 -4.457 -5.532 603 HZ2 LYS 68 1HZ LYS 68 -13.411 -5.228 -6.998 604 HZ3 LYS 68 2HZ LYS 68 -14.514 -3.947 -6.955 605 H GLU 69 H GLU 69 -11.681 -4.848 -1.811 606 HA GLU 69 HA GLU 69 -14.301 -4.066 -1.162 607 HB2 GLU 69 3HB GLU 69 -14.199 -5.983 0.546 608 HB3 GLU 69 2HB GLU 69 -12.541 -6.231 0.021 609 HG2 GLU 69 3HG GLU 69 -13.224 -6.852 -2.162 610 HG3 GLU 69 2HG GLU 69 -14.886 -6.338 -1.857 611 H LEU 70 H LEU 70 -11.554 -4.478 1.071 612 HA LEU 70 HA LEU 70 -12.740 -3.418 3.358 613 HB2 LEU 70 3HB LEU 70 -10.442 -3.090 4.180 614 HB3 LEU 70 2HB LEU 70 -9.828 -3.306 2.551 615 HG LEU 70 HG LEU 70 -10.696 -5.640 2.571 616 HD11 LEU 70 1HD1 LEU 70 -8.374 -5.217 3.140 617 HD12 LEU 70 2HD1 LEU 70 -9.012 -6.544 4.109 618 HD13 LEU 70 3HD1 LEU 70 -8.815 -4.945 4.827 619 HD21 LEU 70 3HD2 LEU 70 -12.502 -5.359 4.182 620 HD22 LEU 70 1HD2 LEU 70 -11.332 -5.045 5.465 621 HD23 LEU 70 2HD2 LEU 70 -11.401 -6.633 4.699 622 H ALA 71 H ALA 71 -10.715 -1.748 0.944 623 HA ALA 71 HA ALA 71 -10.670 0.785 2.113 624 HB1 ALA 71 3HB ALA 71 -10.024 1.619 -0.062 625 HB2 ALA 71 1HB ALA 71 -10.633 0.156 -0.836 626 HB3 ALA 71 2HB ALA 71 -9.238 0.069 0.242 627 H GLN 72 H GLN 72 -13.010 -0.523 -0.244 628 HA GLN 72 HA GLN 72 -14.550 1.815 -0.558 629 HB2 GLN 72 3HB GLN 72 -16.393 0.131 -1.220 630 HB3 GLN 72 2HB GLN 72 -15.181 -1.108 -0.934 631 HG2 GLN 72 3HG GLN 72 -13.733 -0.093 -2.625 632 HG3 GLN 72 2HG GLN 72 -14.944 1.156 -2.912 633 HE21 GLN 72 2HE2 GLN 72 -15.188 -1.695 -5.363 634 HE22 GLN 72 1HE2 GLN 72 -13.842 -0.791 -4.766 635 H LYS 73 H LYS 73 -15.086 -0.983 1.594 636 HA LYS 73 HA LYS 73 -17.467 -0.032 2.772 637 HB2 LYS 73 3HB LYS 73 -17.074 -1.711 4.512 638 HB3 LYS 73 2HB LYS 73 -15.401 -1.879 3.992 639 HG2 LYS 73 3HG LYS 73 -16.151 -2.761 1.836 640 HG3 LYS 73 2HG LYS 73 -17.831 -2.575 2.345 641 HD2 LYS 73 3HD LYS 73 -17.051 -4.899 2.592 642 HD3 LYS 73 2HD LYS 73 -17.500 -4.184 4.140 643 HE2 LYS 73 3HE LYS 73 -15.116 -3.728 4.599 644 HE3 LYS 73 2HE LYS 73 -14.688 -4.506 3.076 645 HZ1 LYS 73 3HZ LYS 73 -15.476 -6.584 3.878 646 HZ2 LYS 73 1HZ LYS 73 -16.145 -5.879 5.263 647 HZ3 LYS 73 2HZ LYS 73 -14.469 -5.940 5.073 648 H MET 74 H MET 74 -14.077 0.400 3.688 649 HA MET 74 HA MET 74 -14.793 1.781 6.150 650 HB2 MET 74 3HB MET 74 -12.389 1.797 6.596 651 HB3 MET 74 2HB MET 74 -12.064 1.228 4.960 652 HG2 MET 74 3HG MET 74 -13.337 -0.834 5.468 653 HG3 MET 74 2HG MET 74 -13.531 -0.271 7.126 654 HE1 MET 74 3HE MET 74 -11.627 -0.137 8.892 655 HE2 MET 74 1HE MET 74 -10.753 1.005 7.868 656 HE3 MET 74 2HE MET 74 -9.919 -0.400 8.535 657 H GLU 75 H GLU 75 -14.351 2.662 2.942 658 HA GLU 75 HA GLU 75 -14.308 4.641 1.848 659 HB2 GLU 75 3HB GLU 75 -15.244 6.618 3.013 660 HB3 GLU 75 2HB GLU 75 -15.181 5.731 4.529 661 HG2 GLU 75 3HG GLU 75 -16.759 4.089 3.646 662 HG3 GLU 75 2HG GLU 75 -16.816 4.962 2.115 663 H ILE 76 H ILE 76 -11.930 4.327 1.746 664 HA ILE 76 HA ILE 76 -10.571 6.660 2.940 665 HB ILE 76 HB ILE 76 -9.312 3.909 2.691 666 HG12 ILE 76 3HG1 ILE 76 -10.958 3.976 4.512 667 HG13 ILE 76 2HG1 ILE 76 -10.211 5.432 5.159 668 HG21 ILE 76 1HG2 ILE 76 -7.699 5.711 2.369 669 HG22 ILE 76 2HG2 ILE 76 -7.424 4.907 3.914 670 HG23 ILE 76 3HG2 ILE 76 -8.228 6.476 3.869 671 HD11 ILE 76 3HD1 ILE 76 -8.172 4.176 5.638 672 HD12 ILE 76 1HD1 ILE 76 -8.922 2.718 4.987 673 HD13 ILE 76 2HD1 ILE 76 -9.579 3.474 6.437 674 H ASP 77 H ASP 77 -9.225 7.775 1.577 675 HA ASP 77 HA ASP 77 -9.347 7.343 -1.220 676 HB2 ASP 77 3HB ASP 77 -7.570 9.132 0.462 677 HB3 ASP 77 2HB ASP 77 -9.059 9.580 -0.365 678 H VAL 78 H VAL 78 -8.507 5.485 -1.995 679 HA VAL 78 HA VAL 78 -5.688 4.846 -1.376 680 HB VAL 78 HB VAL 78 -6.182 2.475 -1.427 681 HG11 VAL 78 1HG1 VAL 78 -6.371 3.527 0.745 682 HG12 VAL 78 2HG1 VAL 78 -7.583 2.257 0.598 683 HG13 VAL 78 3HG1 VAL 78 -8.053 3.948 0.431 684 HG21 VAL 78 3HG2 VAL 78 -9.066 3.253 -1.885 685 HG22 VAL 78 1HG2 VAL 78 -8.475 1.618 -1.600 686 HG23 VAL 78 2HG2 VAL 78 -7.996 2.486 -3.058 687 H ARG 79 H ARG 79 -4.539 3.663 -3.002 688 HA ARG 79 HA ARG 79 -5.829 3.492 -5.651 689 HB2 ARG 79 3HB ARG 79 -3.459 3.856 -6.586 690 HB3 ARG 79 2HB ARG 79 -3.044 4.456 -4.989 691 HG2 ARG 79 3HG ARG 79 -5.413 5.797 -5.787 692 HG3 ARG 79 2HG ARG 79 -4.311 5.827 -7.162 693 HD2 ARG 79 3HD ARG 79 -3.965 7.793 -5.795 694 HD3 ARG 79 2HD ARG 79 -2.546 6.749 -5.706 695 HE ARG 79 HE ARG 79 -3.148 6.165 -3.493 696 HH11 ARG 79 1HH1 ARG 79 -5.240 8.548 -4.852 697 HH12 ARG 79 2HH1 ARG 79 -5.857 9.035 -3.310 698 HH21 ARG 79 2HH2 ARG 79 -5.138 8.084 -1.472 699 HH22 ARG 79 1HH2 ARG 79 -3.958 6.816 -1.529 700 H THR 80 H THR 80 -6.220 1.360 -5.827 701 HA THR 80 HA THR 80 -4.378 -0.633 -4.804 702 HB THR 80 HB THR 80 -6.048 -2.253 -5.883 703 HG1 THR 80 HG1 THR 80 -7.624 -1.431 -7.007 704 HG21 THR 80 3HG2 THR 80 -7.705 -1.936 -4.096 705 HG22 THR 80 1HG2 THR 80 -7.025 -0.344 -3.758 706 HG23 THR 80 2HG2 THR 80 -6.053 -1.793 -3.499 707 H ARG 81 H ARG 81 -2.627 -1.174 -5.901 708 HA ARG 81 HA ARG 81 -2.814 -1.563 -8.821 709 HB2 ARG 81 3HB ARG 81 -0.424 -0.775 -8.959 710 HB3 ARG 81 2HB ARG 81 -0.548 -0.272 -7.278 711 HG2 ARG 81 3HG ARG 81 -0.859 1.608 -8.811 712 HG3 ARG 81 2HG ARG 81 -2.312 1.304 -7.854 713 HD2 ARG 81 3HD ARG 81 -3.301 0.085 -9.737 714 HD3 ARG 81 2HD ARG 81 -1.848 0.378 -10.689 715 HE ARG 81 HE ARG 81 -2.726 2.863 -9.958 716 HH11 ARG 81 1HH1 ARG 81 -4.056 0.171 -11.635 717 HH12 ARG 81 2HH1 ARG 81 -5.048 1.154 -12.655 718 HH21 ARG 81 2HH2 ARG 81 -5.041 3.365 -12.434 719 HH22 ARG 81 1HH2 ARG 81 -4.016 4.125 -11.267 720 H LYS 82 H LYS 82 -1.833 -3.367 -9.637 721 HA LYS 82 HA LYS 82 -0.791 -5.295 -7.675 722 HB2 LYS 82 3HB LYS 82 -1.725 -5.773 -10.517 723 HB3 LYS 82 2HB LYS 82 -2.718 -5.990 -9.082 724 HG2 LYS 82 3HG LYS 82 -1.253 -7.757 -8.292 725 HG3 LYS 82 2HG LYS 82 -0.173 -7.504 -9.664 726 HD2 LYS 82 3HD LYS 82 -3.062 -8.363 -9.879 727 HD3 LYS 82 2HD LYS 82 -1.677 -9.452 -9.956 728 HE2 LYS 82 3HE LYS 82 -0.845 -8.220 -11.930 729 HE3 LYS 82 2HE LYS 82 -2.279 -7.194 -11.871 730 HZ1 LYS 82 3HZ LYS 82 -2.492 -8.998 -13.485 731 HZ2 LYS 82 1HZ LYS 82 -3.656 -9.117 -12.264 732 HZ3 LYS 82 2HZ LYS 82 -2.312 -10.139 -12.249 733 H VAL 83 H VAL 83 1.323 -5.853 -7.664 734 HA VAL 83 HA VAL 83 2.975 -5.005 -9.962 735 HB VAL 83 HB VAL 83 4.861 -4.716 -8.379 736 HG11 VAL 83 1HG1 VAL 83 4.082 -2.603 -7.414 737 HG12 VAL 83 2HG1 VAL 83 2.411 -3.069 -7.730 738 HG13 VAL 83 3HG1 VAL 83 3.518 -2.793 -9.073 739 HG21 VAL 83 3HG2 VAL 83 4.399 -4.585 -5.960 740 HG22 VAL 83 1HG2 VAL 83 4.130 -6.210 -6.596 741 HG23 VAL 83 2HG2 VAL 83 2.755 -5.159 -6.251 742 H THR 84 H THR 84 4.206 -6.473 -10.931 743 HA THR 84 HA THR 84 4.484 -9.162 -9.757 744 HB THR 84 HB THR 84 5.241 -9.874 -11.986 745 HG1 THR 84 HG1 THR 84 4.872 -8.085 -13.668 746 HG21 THR 84 3HG2 THR 84 3.156 -9.515 -13.233 747 HG22 THR 84 1HG2 THR 84 2.712 -8.215 -12.127 748 HG23 THR 84 2HG2 THR 84 2.823 -9.873 -11.538 749 H SER 85 H SER 85 6.421 -6.615 -11.265 750 HA SER 85 HA SER 85 8.874 -7.773 -10.115 751 HB2 SER 85 3HB SER 85 10.082 -6.324 -11.716 752 HB3 SER 85 2HB SER 85 8.544 -5.674 -12.284 753 HG SER 85 HG SER 85 7.989 -7.797 -12.962 754 HA PRO 86 HA PRO 86 9.093 -4.766 -6.884 755 HB2 PRO 86 2HB PRO 86 11.993 -4.540 -7.552 756 HB3 PRO 86 3HB PRO 86 11.214 -4.897 -6.007 757 HG2 PRO 86 3HG PRO 86 10.885 -7.132 -6.533 758 HG3 PRO 86 2HG PRO 86 12.395 -6.830 -7.416 759 HD2 PRO 86 3HD PRO 86 10.178 -7.808 -8.627 760 HD3 PRO 86 2HD PRO 86 11.317 -6.735 -9.465 761 H ASP 87 H ASP 87 10.855 -3.953 -9.868 762 HA ASP 87 HA ASP 87 11.161 -1.217 -9.517 763 HB2 ASP 87 3HB ASP 87 11.204 -1.100 -12.020 764 HB3 ASP 87 2HB ASP 87 10.680 -2.783 -12.059 765 H GLU 88 H GLU 88 8.304 -2.976 -10.657 766 HA GLU 88 HA GLU 88 6.743 -0.791 -11.465 767 HB2 GLU 88 3HB GLU 88 4.784 -2.304 -10.831 768 HB3 GLU 88 2HB GLU 88 5.983 -3.470 -10.295 769 HG2 GLU 88 3HG GLU 88 5.279 -4.069 -12.493 770 HG3 GLU 88 2HG GLU 88 6.935 -3.472 -12.592 771 H ALA 89 H ALA 89 6.816 -2.422 -8.282 772 HA ALA 89 HA ALA 89 5.106 -0.672 -6.920 773 HB1 ALA 89 3HB ALA 89 6.082 -1.553 -4.871 774 HB2 ALA 89 1HB ALA 89 7.444 -2.208 -5.783 775 HB3 ALA 89 2HB ALA 89 5.821 -2.851 -6.036 776 H LYS 90 H LYS 90 8.618 -0.536 -7.391 777 HA LYS 90 HA LYS 90 9.136 1.735 -5.809 778 HB2 LYS 90 3HB LYS 90 11.235 1.904 -7.147 779 HB3 LYS 90 2HB LYS 90 10.605 0.674 -8.239 780 HG2 LYS 90 3HG LYS 90 10.431 -0.858 -6.251 781 HG3 LYS 90 2HG LYS 90 11.302 0.359 -5.322 782 HD2 LYS 90 3HD LYS 90 12.370 -0.943 -7.832 783 HD3 LYS 90 2HD LYS 90 12.734 -1.492 -6.198 784 HE2 LYS 90 3HE LYS 90 14.574 -0.175 -6.755 785 HE3 LYS 90 2HE LYS 90 13.577 0.897 -5.777 786 HZ1 LYS 90 3HZ LYS 90 12.760 1.940 -7.781 787 HZ2 LYS 90 1HZ LYS 90 13.653 0.874 -8.742 788 HZ3 LYS 90 2HZ LYS 90 14.445 1.993 -7.754 789 H ARG 91 H ARG 91 8.158 1.441 -9.210 790 HA ARG 91 HA ARG 91 8.302 4.226 -9.803 791 HB2 ARG 91 3HB ARG 91 6.776 1.956 -11.101 792 HB3 ARG 91 2HB ARG 91 8.283 2.683 -11.643 793 HG2 ARG 91 3HG ARG 91 7.038 4.805 -12.072 794 HG3 ARG 91 2HG ARG 91 5.543 3.958 -11.670 795 HD2 ARG 91 3HD ARG 91 6.145 2.296 -13.489 796 HD3 ARG 91 2HD ARG 91 7.407 3.425 -13.978 797 HE ARG 91 HE ARG 91 4.540 3.742 -14.315 798 HH11 ARG 91 1HH1 ARG 91 7.632 5.276 -14.450 799 HH12 ARG 91 2HH1 ARG 91 7.072 6.533 -15.498 800 HH21 ARG 91 2HH2 ARG 91 4.992 6.574 -16.194 801 HH22 ARG 91 1HH2 ARG 91 3.867 5.358 -15.692 802 H TRP 92 H TRP 92 5.636 2.128 -8.703 803 HA TRP 92 HA TRP 92 3.607 4.071 -8.770 804 HB2 TRP 92 3HB TRP 92 2.480 2.587 -7.024 805 HB3 TRP 92 2HB TRP 92 3.916 1.569 -7.104 806 HD1 TRP 92 HD1 TRP 92 3.646 -0.408 -8.731 807 HE1 TRP 92 HE1 TRP 92 2.273 -0.878 -10.860 808 HE3 TRP 92 HE3 TRP 92 1.332 4.125 -9.223 809 HZ2 TRP 92 HZ2 TRP 92 0.451 0.496 -12.526 810 HZ3 TRP 92 HZ3 TRP 92 -0.212 4.463 -11.104 811 HH2 TRP 92 HH2 TRP 92 -0.644 2.689 -12.725 812 H ILE 93 H ILE 93 5.849 3.195 -6.150 813 HA ILE 93 HA ILE 93 4.857 5.005 -4.223 814 HB ILE 93 HB ILE 93 7.666 3.917 -4.572 815 HG12 ILE 93 3HG1 ILE 93 5.911 2.207 -4.200 816 HG13 ILE 93 2HG1 ILE 93 5.402 3.051 -2.741 817 HG21 ILE 93 1HG2 ILE 93 7.730 5.954 -3.230 818 HG22 ILE 93 2HG2 ILE 93 8.030 4.543 -2.216 819 HG23 ILE 93 3HG2 ILE 93 6.451 5.330 -2.187 820 HD11 ILE 93 3HD1 ILE 93 7.551 2.605 -1.708 821 HD12 ILE 93 1HD1 ILE 93 8.101 1.799 -3.178 822 HD13 ILE 93 2HD1 ILE 93 6.778 1.112 -2.239 823 H LYS 94 H LYS 94 7.292 5.384 -6.774 824 HA LYS 94 HA LYS 94 8.195 7.963 -6.185 825 HB2 LYS 94 3HB LYS 94 7.911 6.457 -8.789 826 HB3 LYS 94 2HB LYS 94 9.361 6.674 -7.816 827 HG2 LYS 94 3HG LYS 94 9.443 9.026 -8.399 828 HG3 LYS 94 2HG LYS 94 7.933 8.878 -9.303 829 HD2 LYS 94 3HD LYS 94 9.063 7.205 -10.783 830 HD3 LYS 94 2HD LYS 94 10.576 7.557 -9.947 831 HE2 LYS 94 3HE LYS 94 10.424 8.803 -12.037 832 HE3 LYS 94 2HE LYS 94 10.433 9.895 -10.653 833 HZ1 LYS 94 3HZ LYS 94 8.772 10.491 -12.354 834 HZ2 LYS 94 1HZ LYS 94 8.072 10.168 -10.851 835 HZ3 LYS 94 2HZ LYS 94 7.977 9.024 -12.082 836 H GLU 95 H GLU 95 5.627 7.048 -8.517 837 HA GLU 95 HA GLU 95 4.804 9.653 -9.151 838 HB2 GLU 95 3HB GLU 95 2.770 8.627 -10.039 839 HB3 GLU 95 2HB GLU 95 3.098 7.147 -9.147 840 HG2 GLU 95 3HG GLU 95 3.655 6.907 -11.504 841 HG3 GLU 95 2HG GLU 95 5.088 6.747 -10.489 842 H PHE 96 H PHE 96 3.376 7.361 -6.821 843 HA PHE 96 HA PHE 96 1.317 8.909 -5.806 844 HB2 PHE 96 3HB PHE 96 3.077 6.911 -4.359 845 HB3 PHE 96 2HB PHE 96 1.600 6.553 -5.244 846 HD1 PHE 96 HD1 PHE 96 3.009 7.572 -2.093 847 HD2 PHE 96 HD2 PHE 96 -0.594 7.420 -4.365 848 HE1 PHE 96 HE1 PHE 96 1.699 7.862 -0.034 849 HE2 PHE 96 HE2 PHE 96 -1.905 7.712 -2.304 850 HZ PHE 96 HZ PHE 96 -0.757 7.934 -0.138 851 H SER 97 H SER 97 4.731 8.886 -4.830 852 HA SER 97 HA SER 97 4.461 10.711 -2.665 853 HB2 SER 97 3HB SER 97 6.898 10.042 -4.344 854 HB3 SER 97 2HB SER 97 6.409 9.243 -2.850 855 HG SER 97 HG SER 97 7.218 10.837 -1.720 856 H GLU 98 H GLU 98 5.095 11.171 -6.123 857 HA GLU 98 HA GLU 98 5.746 13.947 -5.894 858 HB2 GLU 98 3HB GLU 98 5.454 13.972 -8.385 859 HB3 GLU 98 2HB GLU 98 4.935 12.294 -8.293 860 HG2 GLU 98 3HG GLU 98 7.083 11.604 -7.477 861 HG3 GLU 98 2HG GLU 98 7.612 13.277 -7.314 862 H GLU 99 H GLU 99 2.712 12.209 -6.285 863 HA GLU 99 HA GLU 99 1.099 14.413 -7.018 864 HB2 GLU 99 3HB GLU 99 -0.798 13.136 -6.061 865 HB3 GLU 99 2HB GLU 99 0.341 12.001 -5.352 866 HG2 GLU 99 3HG GLU 99 1.023 11.218 -7.502 867 HG3 GLU 99 2HG GLU 99 0.116 12.494 -8.315 868 H GLY 100 H GLY 100 1.959 13.124 -3.812 869 HA2 GLY 100 3HA GLY 100 1.961 15.745 -2.649 870 HA3 GLY 100 2HA GLY 100 2.241 14.231 -1.809 871 H GLY 101 H GLY 101 -0.420 16.136 -3.244 872 HA2 GLY 101 3HA GLY 101 -1.950 16.693 -1.137 873 HA3 GLY 101 2HA GLY 101 -2.309 14.984 -1.323 874 H SER 102 H SER 102 -4.378 14.967 -2.053 875 HA SER 102 HA SER 102 -4.977 16.555 -4.481 876 HB2 SER 102 3HB SER 102 -6.230 14.672 -5.392 877 HB3 SER 102 2HB SER 102 -5.910 13.717 -3.945 878 HG SER 102 HG SER 102 -4.378 14.039 -6.143 879 H LEU 103 H LEU 103 -6.181 18.138 -3.420 880 HA LEU 103 HA LEU 103 -8.491 17.288 -1.820 881 HB2 LEU 103 3HB LEU 103 -8.737 19.688 -1.277 882 HB3 LEU 103 2HB LEU 103 -7.381 20.056 -2.329 883 HG LEU 103 HG LEU 103 -5.866 18.822 -0.859 884 HD11 LEU 103 1HD1 LEU 103 -7.600 20.768 0.665 885 HD12 LEU 103 2HD1 LEU 103 -6.253 21.183 -0.395 886 HD13 LEU 103 3HD1 LEU 103 -5.956 20.287 1.093 887 HD21 LEU 103 3HD2 LEU 103 -7.416 17.098 -0.083 888 HD22 LEU 103 1HD2 LEU 103 -8.301 18.304 0.857 889 HD23 LEU 103 2HD2 LEU 103 -6.633 17.905 1.276 890 H GLU 104 H GLU 104 -8.018 19.846 -4.276 891 HA GLU 104 HA GLU 104 -10.696 19.851 -5.153 892 HB2 GLU 104 3HB GLU 104 -9.623 20.980 -7.239 893 HB3 GLU 104 2HB GLU 104 -8.125 20.888 -6.325 894 HG2 GLU 104 3HG GLU 104 -9.153 23.068 -6.067 895 HG3 GLU 104 2HG GLU 104 -9.137 22.209 -4.526 896 H HIS 105 H HIS 105 -11.739 18.284 -6.175 897 HA HIS 105 HA HIS 105 -10.305 16.122 -7.443 898 HB2 HIS 105 3HB HIS 105 -12.571 15.131 -7.734 899 HB3 HIS 105 2HB HIS 105 -13.270 16.607 -7.076 900 HD1 HIS 105 HD1 HIS 105 -11.187 13.636 -6.052 901 HD2 HIS 105 HD2 HIS 105 -13.246 16.800 -4.310 902 HE1 HIS 105 HE1 HIS 105 -11.214 13.149 -3.591 903 HE2 HIS 105 HE2 HIS 105 -12.600 14.985 -2.582 904 H HIS 106 H HIS 106 -9.724 18.337 -8.903 905 HA HIS 106 HA HIS 106 -11.368 18.389 -11.307 906 HB2 HIS 106 3HB HIS 106 -9.530 19.890 -12.166 907 HB3 HIS 106 2HB HIS 106 -8.710 19.682 -10.623 908 HD1 HIS 106 HD1 HIS 106 -10.636 22.084 -12.242 909 HD2 HIS 106 HD2 HIS 106 -10.789 20.438 -8.430 910 HE1 HIS 106 HE1 HIS 106 -11.869 23.756 -10.834 911 HE2 HIS 106 HE2 HIS 106 -11.795 22.819 -8.500 912 H HIS 107 H HIS 107 -10.025 15.890 -10.359 913 HA HIS 107 HA HIS 107 -7.746 15.399 -12.017 914 HB2 HIS 107 3HB HIS 107 -9.409 13.456 -10.388 915 HB3 HIS 107 2HB HIS 107 -8.036 14.374 -9.781 916 HD1 HIS 107 HD1 HIS 107 -8.804 11.632 -12.289 917 HD2 HIS 107 HD2 HIS 107 -5.603 13.189 -10.141 918 HE1 HIS 107 HE1 HIS 107 -6.900 10.046 -12.673 919 HE2 HIS 107 HE2 HIS 107 -5.047 10.901 -11.204 920 H HIS 108 H HIS 108 -8.864 15.938 -14.101 921 HA HIS 108 HA HIS 108 -10.626 13.967 -15.228 922 HB2 HIS 108 3HB HIS 108 -10.083 15.067 -17.400 923 HB3 HIS 108 2HB HIS 108 -8.888 16.057 -16.572 924 HD1 HIS 108 HD1 HIS 108 -9.787 18.343 -16.303 925 HD2 HIS 108 HD2 HIS 108 -12.735 15.458 -15.777 926 HE1 HIS 108 HE1 HIS 108 -11.881 19.612 -15.747 927 HE2 HIS 108 HE2 HIS 108 -13.681 17.861 -15.633 928 H HIS 109 H HIS 109 -7.160 14.641 -15.410 929 HA HIS 109 HA HIS 109 -6.597 11.817 -15.556 930 HB2 HIS 109 3HB HIS 109 -5.451 13.598 -17.724 931 HB3 HIS 109 2HB HIS 109 -6.833 12.535 -17.971 932 HD1 HIS 109 HD1 HIS 109 -3.148 12.324 -17.065 933 HD2 HIS 109 HD2 HIS 109 -6.200 9.948 -18.582 934 HE1 HIS 109 HE1 HIS 109 -2.063 10.151 -17.686 935 HE2 HIS 109 HE2 HIS 109 -3.900 8.773 -18.708 936 H HIS 110 H HIS 110 -4.902 14.922 -16.142 937 HA HIS 110 HA HIS 110 -3.505 14.953 -13.685 938 HB2 HIS 110 3HB HIS 110 -1.896 13.919 -16.039 939 HB3 HIS 110 2HB HIS 110 -2.314 13.012 -14.593 940 HD1 HIS 110 HD1 HIS 110 0.134 15.440 -15.920 941 HD2 HIS 110 HD2 HIS 110 -0.865 13.786 -12.242 942 HE1 HIS 110 HE1 HIS 110 2.053 15.978 -14.399 943 HE2 HIS 110 HE2 HIS 110 1.519 14.799 -12.246 Start of MODEL 6 1 H1 MET 1 1H MET 1 0.124 16.907 6.171 2 H2 MET 1 2H MET 1 -0.516 17.897 4.961 3 H3 MET 1 3H MET 1 0.949 17.098 4.708 4 HA MET 1 HA MET 1 -1.699 15.805 5.037 5 HB2 MET 1 3HB MET 1 0.056 15.828 2.577 6 HB3 MET 1 2HB MET 1 -1.150 17.072 2.863 7 HG2 MET 1 3HG MET 1 -1.806 14.141 2.750 8 HG3 MET 1 2HG MET 1 -1.860 15.215 1.354 9 HE1 MET 1 3HE MET 1 -5.658 14.791 2.024 10 HE2 MET 1 1HE MET 1 -4.381 13.575 2.059 11 HE3 MET 1 2HE MET 1 -4.389 14.810 0.799 12 H LEU 2 H LEU 2 -1.659 13.498 4.939 13 HA LEU 2 HA LEU 2 0.993 12.328 5.487 14 HB2 LEU 2 3HB LEU 2 -0.227 10.489 6.599 15 HB3 LEU 2 2HB LEU 2 -1.744 11.297 6.254 16 HG LEU 2 HG LEU 2 0.370 12.694 7.874 17 HD11 LEU 2 1HD1 LEU 2 -1.559 13.828 8.855 18 HD12 LEU 2 2HD1 LEU 2 -2.644 12.864 7.851 19 HD13 LEU 2 3HD1 LEU 2 -1.529 14.008 7.102 20 HD21 LEU 2 3HD2 LEU 2 -0.634 11.792 9.922 21 HD22 LEU 2 1HD2 LEU 2 0.102 10.524 8.941 22 HD23 LEU 2 2HD2 LEU 2 -1.649 10.725 8.951 23 H LEU 3 H LEU 3 1.764 10.692 4.273 24 HA LEU 3 HA LEU 3 0.016 9.504 2.206 25 HB2 LEU 3 3HB LEU 3 1.972 9.476 0.690 26 HB3 LEU 3 2HB LEU 3 2.918 10.314 1.906 27 HG LEU 3 HG LEU 3 1.372 12.267 1.708 28 HD11 LEU 3 1HD1 LEU 3 3.471 12.196 0.440 29 HD12 LEU 3 2HD1 LEU 3 2.205 13.060 -0.434 30 HD13 LEU 3 3HD1 LEU 3 2.632 11.412 -0.901 31 HD21 LEU 3 3HD2 LEU 3 0.183 10.668 -0.562 32 HD22 LEU 3 1HD2 LEU 3 -0.150 12.369 -0.229 33 HD23 LEU 3 2HD2 LEU 3 -0.626 11.134 0.935 34 H TYR 4 H TYR 4 -0.213 7.382 2.621 35 HA TYR 4 HA TYR 4 2.007 5.922 3.922 36 HB2 TYR 4 3HB TYR 4 0.078 4.342 4.634 37 HB3 TYR 4 2HB TYR 4 -0.984 5.677 4.200 38 HD1 TYR 4 HD1 TYR 4 0.157 8.061 5.217 39 HD2 TYR 4 HD2 TYR 4 0.327 4.157 6.912 40 HE1 TYR 4 HE1 TYR 4 0.485 9.044 7.446 41 HE2 TYR 4 HE2 TYR 4 0.652 5.133 9.140 42 HH TYR 4 HH TYR 4 1.456 7.193 10.144 43 H VAL 5 H VAL 5 2.314 3.687 3.363 44 HA VAL 5 HA VAL 5 1.194 2.884 0.749 45 HB VAL 5 HB VAL 5 4.095 2.588 1.582 46 HG11 VAL 5 1HG1 VAL 5 4.445 1.706 -0.695 47 HG12 VAL 5 2HG1 VAL 5 2.703 1.763 -0.973 48 HG13 VAL 5 3HG1 VAL 5 3.365 0.683 0.255 49 HG21 VAL 5 3HG2 VAL 5 3.555 4.889 0.953 50 HG22 VAL 5 1HG2 VAL 5 2.855 4.323 -0.564 51 HG23 VAL 5 2HG2 VAL 5 4.583 4.133 -0.264 52 H LEU 6 H LEU 6 0.318 0.910 0.785 53 HA LEU 6 HA LEU 6 1.096 -1.034 2.855 54 HB2 LEU 6 3HB LEU 6 -1.036 -2.196 2.205 55 HB3 LEU 6 2HB LEU 6 -1.387 -0.852 1.136 56 HG LEU 6 HG LEU 6 -1.519 0.665 3.053 57 HD11 LEU 6 1HD1 LEU 6 -3.552 -0.281 4.093 58 HD12 LEU 6 2HD1 LEU 6 -3.198 -1.829 3.332 59 HD13 LEU 6 3HD1 LEU 6 -3.560 -0.419 2.336 60 HD21 LEU 6 3HD2 LEU 6 -1.425 -0.190 5.337 61 HD22 LEU 6 1HD2 LEU 6 0.107 -0.453 4.504 62 HD23 LEU 6 2HD2 LEU 6 -1.015 -1.797 4.733 63 H ILE 7 H ILE 7 2.257 -2.770 2.237 64 HA ILE 7 HA ILE 7 2.283 -3.456 -0.633 65 HB ILE 7 HB ILE 7 4.450 -2.663 0.025 66 HG12 ILE 7 3HG1 ILE 7 4.364 -4.558 -1.555 67 HG13 ILE 7 2HG1 ILE 7 4.479 -5.687 -0.210 68 HG21 ILE 7 1HG2 ILE 7 4.300 -3.025 2.432 69 HG22 ILE 7 2HG2 ILE 7 5.788 -3.713 1.781 70 HG23 ILE 7 3HG2 ILE 7 4.434 -4.768 2.190 71 HD11 ILE 7 3HD1 ILE 7 6.608 -5.447 -1.310 72 HD12 ILE 7 1HD1 ILE 7 6.693 -4.811 0.332 73 HD13 ILE 7 2HD1 ILE 7 6.580 -3.704 -1.037 74 H ILE 8 H ILE 8 0.995 -5.135 -0.971 75 HA ILE 8 HA ILE 8 0.999 -7.417 0.883 76 HB ILE 8 HB ILE 8 -0.773 -6.910 -1.529 77 HG12 ILE 8 3HG1 ILE 8 -1.131 -5.275 0.301 78 HG13 ILE 8 2HG1 ILE 8 -1.384 -6.604 1.426 79 HG21 ILE 8 1HG2 ILE 8 -2.159 -8.731 -0.602 80 HG22 ILE 8 2HG2 ILE 8 -0.942 -9.004 0.646 81 HG23 ILE 8 3HG2 ILE 8 -0.544 -9.282 -1.051 82 HD11 ILE 8 3HD1 ILE 8 -3.353 -7.299 0.130 83 HD12 ILE 8 1HD1 ILE 8 -3.116 -5.906 -0.924 84 HD13 ILE 8 2HD1 ILE 8 -3.492 -5.666 0.778 85 H SER 9 H SER 9 2.697 -8.731 0.467 86 HA SER 9 HA SER 9 2.934 -9.973 -2.135 87 HB2 SER 9 3HB SER 9 5.200 -8.268 -1.063 88 HB3 SER 9 2HB SER 9 4.300 -8.012 -2.557 89 HG SER 9 HG SER 9 6.105 -9.062 -3.193 90 H ASN 10 H ASN 10 4.407 -11.756 -2.176 91 HA ASN 10 HA ASN 10 4.890 -12.905 0.500 92 HB2 ASN 10 3HB ASN 10 4.733 -15.104 -0.605 93 HB3 ASN 10 2HB ASN 10 4.483 -14.309 -2.157 94 HD21 ASN 10 2HD2 ASN 10 1.450 -14.668 0.499 95 HD22 ASN 10 1HD2 ASN 10 3.075 -15.071 0.922 96 H ASP 11 H ASP 11 6.583 -11.259 -1.671 97 HA ASP 11 HA ASP 11 8.997 -12.948 -1.402 98 HB2 ASP 11 3HB ASP 11 8.349 -10.878 -3.517 99 HB3 ASP 11 2HB ASP 11 8.442 -12.624 -3.746 100 H LYS 12 H LYS 12 10.578 -12.205 -0.138 101 HA LYS 12 HA LYS 12 10.217 -9.734 1.269 102 HB2 LYS 12 3HB LYS 12 12.266 -10.381 2.487 103 HB3 LYS 12 2HB LYS 12 12.507 -11.709 1.357 104 HG2 LYS 12 3HG LYS 12 11.507 -12.427 3.499 105 HG3 LYS 12 2HG LYS 12 10.482 -12.787 2.108 106 HD2 LYS 12 3HD LYS 12 9.142 -10.775 2.584 107 HD3 LYS 12 2HD LYS 12 10.150 -10.444 3.993 108 HE2 LYS 12 3HE LYS 12 8.537 -12.966 3.620 109 HE3 LYS 12 2HE LYS 12 7.981 -11.556 4.522 110 HZ1 LYS 12 3HZ LYS 12 10.410 -13.136 5.161 111 HZ2 LYS 12 1HZ LYS 12 8.927 -13.253 5.966 112 HZ3 LYS 12 2HZ LYS 12 9.817 -11.818 6.042 113 H LYS 13 H LYS 13 12.126 -10.695 -1.496 114 HA LYS 13 HA LYS 13 14.015 -8.559 -1.365 115 HB2 LYS 13 3HB LYS 13 14.391 -9.036 -3.802 116 HB3 LYS 13 2HB LYS 13 13.080 -10.205 -3.729 117 HG2 LYS 13 3HG LYS 13 15.526 -10.394 -1.983 118 HG3 LYS 13 2HG LYS 13 15.427 -11.126 -3.585 119 HD2 LYS 13 3HD LYS 13 13.463 -12.426 -2.857 120 HD3 LYS 13 2HD LYS 13 13.618 -11.728 -1.243 121 HE2 LYS 13 3HE LYS 13 15.802 -12.747 -0.974 122 HE3 LYS 13 2HE LYS 13 15.734 -13.382 -2.618 123 HZ1 LYS 13 3HZ LYS 13 15.163 -15.074 -1.013 124 HZ2 LYS 13 1HZ LYS 13 13.825 -14.717 -1.981 125 HZ3 LYS 13 2HZ LYS 13 13.905 -14.123 -0.402 126 H LEU 14 H LEU 14 10.961 -8.999 -3.129 127 HA LEU 14 HA LEU 14 10.771 -6.480 -4.318 128 HB2 LEU 14 3HB LEU 14 8.486 -8.121 -3.200 129 HB3 LEU 14 2HB LEU 14 9.307 -8.494 -4.702 130 HG LEU 14 HG LEU 14 8.588 -6.067 -5.394 131 HD11 LEU 14 1HD1 LEU 14 6.586 -8.322 -5.208 132 HD12 LEU 14 2HD1 LEU 14 7.804 -8.118 -6.469 133 HD13 LEU 14 3HD1 LEU 14 6.499 -6.944 -6.307 134 HD21 LEU 14 3HD2 LEU 14 6.426 -5.403 -4.412 135 HD22 LEU 14 1HD2 LEU 14 7.742 -5.339 -3.242 136 HD23 LEU 14 2HD2 LEU 14 6.597 -6.679 -3.207 137 H ILE 15 H ILE 15 9.809 -7.544 -1.065 138 HA ILE 15 HA ILE 15 8.716 -5.115 -0.163 139 HB ILE 15 HB ILE 15 10.125 -7.266 1.434 140 HG12 ILE 15 3HG1 ILE 15 8.161 -8.056 0.152 141 HG13 ILE 15 2HG1 ILE 15 7.175 -6.798 0.887 142 HG21 ILE 15 1HG2 ILE 15 8.297 -5.054 2.396 143 HG22 ILE 15 2HG2 ILE 15 10.031 -5.174 2.699 144 HG23 ILE 15 3HG2 ILE 15 8.932 -6.369 3.386 145 HD11 ILE 15 3HD1 ILE 15 7.460 -7.813 3.070 146 HD12 ILE 15 1HD1 ILE 15 8.500 -9.055 2.370 147 HD13 ILE 15 2HD1 ILE 15 6.799 -8.971 1.914 148 H GLU 16 H GLU 16 12.071 -6.329 0.043 149 HA GLU 16 HA GLU 16 13.206 -4.164 1.403 150 HB2 GLU 16 3HB GLU 16 15.351 -4.857 0.247 151 HB3 GLU 16 2HB GLU 16 14.402 -6.031 -0.654 152 HG2 GLU 16 3HG GLU 16 15.483 -7.122 1.195 153 HG3 GLU 16 2HG GLU 16 13.742 -7.096 1.471 154 H GLU 17 H GLU 17 13.013 -4.701 -2.121 155 HA GLU 17 HA GLU 17 14.126 -2.308 -3.000 156 HB2 GLU 17 3HB GLU 17 12.681 -2.661 -5.054 157 HB3 GLU 17 2HB GLU 17 11.952 -4.022 -4.216 158 HG2 GLU 17 3HG GLU 17 13.625 -4.853 -5.705 159 HG3 GLU 17 2HG GLU 17 14.192 -5.069 -4.051 160 H ALA 18 H ALA 18 10.769 -3.008 -2.101 161 HA ALA 18 HA ALA 18 9.687 -0.488 -2.784 162 HB1 ALA 18 3HB ALA 18 8.306 -2.468 -2.407 163 HB2 ALA 18 1HB ALA 18 7.791 -1.127 -1.385 164 HB3 ALA 18 2HB ALA 18 8.734 -2.449 -0.696 165 H ARG 19 H ARG 19 11.001 -1.719 0.307 166 HA ARG 19 HA ARG 19 10.431 0.541 1.872 167 HB2 ARG 19 3HB ARG 19 12.307 -0.211 3.342 168 HB3 ARG 19 2HB ARG 19 12.722 -1.417 2.130 169 HG2 ARG 19 3HG ARG 19 10.733 -2.630 2.501 170 HG3 ARG 19 2HG ARG 19 10.004 -1.308 3.413 171 HD2 ARG 19 3HD ARG 19 10.766 -3.141 4.874 172 HD3 ARG 19 2HD ARG 19 11.591 -1.622 5.219 173 HE ARG 19 HE ARG 19 12.768 -3.978 3.915 174 HH11 ARG 19 1HH1 ARG 19 13.186 -0.837 5.293 175 HH12 ARG 19 2HH1 ARG 19 14.897 -1.018 5.427 176 HH21 ARG 19 2HH2 ARG 19 15.880 -2.873 4.778 177 HH22 ARG 19 1HH2 ARG 19 14.954 -4.182 4.123 178 H LYS 20 H LYS 20 13.371 -0.240 0.015 179 HA LYS 20 HA LYS 20 15.005 1.855 0.688 180 HB2 LYS 20 3HB LYS 20 16.031 1.624 -1.547 181 HB3 LYS 20 2HB LYS 20 14.643 0.686 -2.083 182 HG2 LYS 20 3HG LYS 20 15.180 -1.023 -0.375 183 HG3 LYS 20 2HG LYS 20 16.620 -0.100 0.059 184 HD2 LYS 20 3HD LYS 20 16.058 -1.211 -2.695 185 HD3 LYS 20 2HD LYS 20 17.083 -1.989 -1.488 186 HE2 LYS 20 3HE LYS 20 17.562 0.784 -2.586 187 HE3 LYS 20 2HE LYS 20 18.339 -0.673 -3.198 188 HZ1 LYS 20 3HZ LYS 20 19.702 0.564 -1.588 189 HZ2 LYS 20 1HZ LYS 20 19.383 -1.021 -1.095 190 HZ3 LYS 20 2HZ LYS 20 18.546 0.265 -0.393 191 H MET 21 H MET 21 12.538 1.904 -1.895 192 HA MET 21 HA MET 21 12.888 4.632 -2.592 193 HB2 MET 21 3HB MET 21 10.525 4.364 -3.547 194 HB3 MET 21 2HB MET 21 10.591 2.706 -2.963 195 HG2 MET 21 3HG MET 21 11.171 2.814 -5.309 196 HG3 MET 21 2HG MET 21 12.560 2.293 -4.353 197 HE1 MET 21 3HE MET 21 11.160 5.955 -4.578 198 HE2 MET 21 1HE MET 21 10.877 5.345 -6.206 199 HE3 MET 21 2HE MET 21 12.077 6.607 -5.936 200 H ALA 22 H ALA 22 10.591 3.040 -0.385 201 HA ALA 22 HA ALA 22 9.103 5.314 0.305 202 HB1 ALA 22 3HB ALA 22 9.665 2.878 1.999 203 HB2 ALA 22 1HB ALA 22 8.378 3.029 0.804 204 HB3 ALA 22 2HB ALA 22 8.359 4.038 2.250 205 H GLU 23 H GLU 23 12.172 4.123 1.548 206 HA GLU 23 HA GLU 23 12.329 5.833 3.813 207 HB2 GLU 23 3HB GLU 23 14.739 5.259 3.811 208 HB3 GLU 23 2HB GLU 23 14.542 4.493 2.239 209 HG2 GLU 23 3HG GLU 23 12.993 2.870 3.229 210 HG3 GLU 23 2HG GLU 23 13.206 3.628 4.806 211 H LYS 24 H LYS 24 13.440 6.172 0.453 212 HA LYS 24 HA LYS 24 14.700 8.703 0.816 213 HB2 LYS 24 3HB LYS 24 14.106 8.861 -1.768 214 HB3 LYS 24 2HB LYS 24 13.724 7.161 -1.559 215 HG2 LYS 24 3HG LYS 24 16.382 8.406 -0.878 216 HG3 LYS 24 2HG LYS 24 16.018 7.583 -2.392 217 HD2 LYS 24 3HD LYS 24 15.556 5.514 -1.162 218 HD3 LYS 24 2HD LYS 24 15.934 6.333 0.355 219 HE2 LYS 24 3HE LYS 24 18.217 6.698 -0.362 220 HE3 LYS 24 2HE LYS 24 17.863 6.006 -1.944 221 HZ1 LYS 24 3HZ LYS 24 17.657 4.507 0.607 222 HZ2 LYS 24 1HZ LYS 24 19.001 4.463 -0.419 223 HZ3 LYS 24 2HZ LYS 24 17.510 3.879 -0.957 224 H ALA 25 H ALA 25 11.426 7.771 -0.188 225 HA ALA 25 HA ALA 25 10.536 10.501 -0.473 226 HB1 ALA 25 3HB ALA 25 8.910 7.958 -0.421 227 HB2 ALA 25 1HB ALA 25 9.636 8.675 -1.860 228 HB3 ALA 25 2HB ALA 25 8.370 9.539 -0.987 229 H ASN 26 H ASN 26 10.936 8.429 2.181 230 HA ASN 26 HA ASN 26 10.406 8.545 4.383 231 HB2 ASN 26 3HB ASN 26 9.625 10.787 5.275 232 HB3 ASN 26 2HB ASN 26 9.655 11.372 3.614 233 HD21 ASN 26 2HD2 ASN 26 13.132 11.631 3.440 234 HD22 ASN 26 1HD2 ASN 26 11.643 11.597 2.569 235 H LEU 27 H LEU 27 8.504 7.388 2.651 236 HA LEU 27 HA LEU 27 5.888 8.193 3.706 237 HB2 LEU 27 3HB LEU 27 4.952 6.657 2.051 238 HB3 LEU 27 2HB LEU 27 6.559 6.079 1.646 239 HG LEU 27 HG LEU 27 7.144 8.246 0.699 240 HD11 LEU 27 1HD1 LEU 27 6.066 6.619 -0.764 241 HD12 LEU 27 2HD1 LEU 27 5.642 8.269 -1.220 242 HD13 LEU 27 3HD1 LEU 27 4.481 7.271 -0.340 243 HD21 LEU 27 3HD2 LEU 27 4.368 9.107 1.519 244 HD22 LEU 27 1HD2 LEU 27 5.455 10.032 0.483 245 HD23 LEU 27 2HD2 LEU 27 5.894 9.716 2.160 246 H GLU 28 H GLU 28 4.721 6.998 5.141 247 HA GLU 28 HA GLU 28 5.911 4.916 6.655 248 HB2 GLU 28 3HB GLU 28 3.420 4.604 7.420 249 HB3 GLU 28 2HB GLU 28 3.141 6.064 6.483 250 HG2 GLU 28 3HG GLU 28 3.443 6.820 8.661 251 HG3 GLU 28 2HG GLU 28 4.993 7.124 7.878 252 H LEU 29 H LEU 29 6.449 3.065 5.618 253 HA LEU 29 HA LEU 29 4.517 1.782 3.827 254 HB2 LEU 29 3HB LEU 29 7.425 1.122 4.374 255 HB3 LEU 29 2HB LEU 29 6.835 2.105 3.051 256 HG LEU 29 HG LEU 29 5.495 -0.052 2.379 257 HD11 LEU 29 1HD1 LEU 29 7.237 0.949 1.016 258 HD12 LEU 29 2HD1 LEU 29 7.405 -0.806 1.027 259 HD13 LEU 29 3HD1 LEU 29 8.481 0.188 2.008 260 HD21 LEU 29 3HD2 LEU 29 5.991 -1.383 4.356 261 HD22 LEU 29 1HD2 LEU 29 7.721 -1.230 4.052 262 HD23 LEU 29 2HD2 LEU 29 6.703 -2.129 2.929 263 H ARG 30 H ARG 30 3.178 0.321 4.638 264 HA ARG 30 HA ARG 30 3.984 -1.273 6.991 265 HB2 ARG 30 3HB ARG 30 1.561 -1.658 7.329 266 HB3 ARG 30 2HB ARG 30 1.217 -0.685 5.911 267 HG2 ARG 30 3HG ARG 30 0.796 0.600 7.894 268 HG3 ARG 30 2HG ARG 30 2.176 1.281 7.031 269 HD2 ARG 30 3HD ARG 30 3.709 0.507 8.612 270 HD3 ARG 30 2HD ARG 30 2.586 -0.690 9.258 271 HE ARG 30 HE ARG 30 1.342 1.613 9.856 272 HH11 ARG 30 1HH1 ARG 30 4.650 0.717 10.268 273 HH12 ARG 30 2HH1 ARG 30 4.787 1.552 11.776 274 HH21 ARG 30 2HH2 ARG 30 3.059 2.669 12.600 275 HH22 ARG 30 1HH2 ARG 30 1.538 2.667 11.767 276 H THR 31 H THR 31 4.126 -3.476 6.822 277 HA THR 31 HA THR 31 3.718 -4.708 4.212 278 HB THR 31 HB THR 31 4.723 -6.728 5.207 279 HG1 THR 31 HG1 THR 31 5.614 -6.421 7.414 280 HG21 THR 31 3HG2 THR 31 6.206 -5.025 4.255 281 HG22 THR 31 1HG2 THR 31 6.968 -5.826 5.626 282 HG23 THR 31 2HG2 THR 31 6.288 -4.210 5.818 283 H VAL 32 H VAL 32 2.103 -6.100 3.677 284 HA VAL 32 HA VAL 32 0.170 -6.854 5.788 285 HB VAL 32 HB VAL 32 -0.475 -6.192 2.903 286 HG11 VAL 32 1HG1 VAL 32 -2.312 -6.867 5.211 287 HG12 VAL 32 2HG1 VAL 32 -1.952 -7.910 3.835 288 HG13 VAL 32 3HG1 VAL 32 -2.819 -6.395 3.588 289 HG21 VAL 32 3HG2 VAL 32 -1.600 -4.211 3.772 290 HG22 VAL 32 1HG2 VAL 32 0.110 -4.190 4.201 291 HG23 VAL 32 2HG2 VAL 32 -1.098 -4.625 5.412 292 H LYS 33 H LYS 33 0.220 -8.997 6.116 293 HA LYS 33 HA LYS 33 0.935 -10.821 3.931 294 HB2 LYS 33 3HB LYS 33 1.292 -12.476 5.570 295 HB3 LYS 33 2HB LYS 33 0.260 -11.669 6.742 296 HG2 LYS 33 3HG LYS 33 1.949 -9.871 6.940 297 HG3 LYS 33 2HG LYS 33 3.006 -10.792 5.867 298 HD2 LYS 33 3HD LYS 33 3.409 -12.431 7.442 299 HD3 LYS 33 2HD LYS 33 1.890 -12.140 8.292 300 HE2 LYS 33 3HE LYS 33 4.224 -10.228 8.287 301 HE3 LYS 33 2HE LYS 33 3.909 -11.414 9.555 302 HZ1 LYS 33 3HZ LYS 33 2.033 -9.246 8.755 303 HZ2 LYS 33 1HZ LYS 33 3.049 -9.205 10.107 304 HZ3 LYS 33 2HZ LYS 33 1.810 -10.347 10.019 305 H THR 34 H THR 34 -1.719 -10.164 6.190 306 HA THR 34 HA THR 34 -3.451 -12.024 4.667 307 HB THR 34 HB THR 34 -4.728 -12.441 6.661 308 HG1 THR 34 HG1 THR 34 -3.830 -11.412 8.691 309 HG21 THR 34 3HG2 THR 34 -1.775 -12.543 7.310 310 HG22 THR 34 1HG2 THR 34 -2.687 -13.771 6.434 311 HG23 THR 34 2HG2 THR 34 -3.040 -13.458 8.132 312 H GLU 35 H GLU 35 -5.684 -11.493 4.463 313 HA GLU 35 HA GLU 35 -6.383 -8.912 3.713 314 HB2 GLU 35 3HB GLU 35 -8.172 -11.113 4.783 315 HB3 GLU 35 2HB GLU 35 -7.665 -10.927 3.110 316 HG2 GLU 35 3HG GLU 35 -8.989 -9.002 2.809 317 HG3 GLU 35 2HG GLU 35 -9.234 -8.802 4.544 318 H ASP 36 H ASP 36 -6.747 -10.513 6.856 319 HA ASP 36 HA ASP 36 -8.256 -8.515 8.127 320 HB2 ASP 36 3HB ASP 36 -6.262 -10.344 9.486 321 HB3 ASP 36 2HB ASP 36 -7.869 -10.859 8.974 322 H GLU 37 H GLU 37 -4.727 -8.900 7.794 323 HA GLU 37 HA GLU 37 -4.010 -6.751 9.486 324 HB2 GLU 37 3HB GLU 37 -1.867 -6.697 8.147 325 HB3 GLU 37 2HB GLU 37 -2.553 -7.961 7.136 326 HG2 GLU 37 3HG GLU 37 -2.504 -9.537 8.857 327 HG3 GLU 37 2HG GLU 37 -2.346 -8.304 10.107 328 H LEU 38 H LEU 38 -4.725 -6.844 6.006 329 HA LEU 38 HA LEU 38 -4.263 -4.203 5.313 330 HB2 LEU 38 3HB LEU 38 -6.774 -5.619 4.433 331 HB3 LEU 38 2HB LEU 38 -5.211 -6.241 3.956 332 HG LEU 38 HG LEU 38 -6.139 -4.928 2.162 333 HD11 LEU 38 1HD1 LEU 38 -7.628 -3.480 3.424 334 HD12 LEU 38 2HD1 LEU 38 -6.578 -2.540 2.362 335 HD13 LEU 38 3HD1 LEU 38 -6.243 -2.617 4.092 336 HD21 LEU 38 3HD2 LEU 38 -4.320 -3.333 1.811 337 HD22 LEU 38 1HD2 LEU 38 -3.729 -4.871 2.436 338 HD23 LEU 38 2HD2 LEU 38 -3.864 -3.477 3.509 339 H LYS 39 H LYS 39 -7.291 -5.567 6.608 340 HA LYS 39 HA LYS 39 -8.670 -3.205 7.140 341 HB2 LYS 39 3HB LYS 39 -8.737 -5.921 8.459 342 HB3 LYS 39 2HB LYS 39 -9.790 -5.323 7.186 343 HG2 LYS 39 3HG LYS 39 -10.689 -3.651 8.816 344 HG3 LYS 39 2HG LYS 39 -9.754 -4.464 10.073 345 HD2 LYS 39 3HD LYS 39 -11.944 -5.684 8.380 346 HD3 LYS 39 2HD LYS 39 -12.045 -5.273 10.091 347 HE2 LYS 39 3HE LYS 39 -10.169 -7.329 8.913 348 HE3 LYS 39 2HE LYS 39 -11.699 -7.690 9.706 349 HZ1 LYS 39 3HZ LYS 39 -10.827 -6.682 11.735 350 HZ2 LYS 39 1HZ LYS 39 -9.339 -6.424 10.977 351 HZ3 LYS 39 2HZ LYS 39 -9.896 -8.001 11.234 352 H LYS 40 H LYS 40 -6.326 -4.945 9.162 353 HA LYS 40 HA LYS 40 -6.556 -3.506 11.542 354 HB2 LYS 40 3HB LYS 40 -4.124 -4.789 10.271 355 HB3 LYS 40 2HB LYS 40 -5.223 -5.527 11.428 356 HG2 LYS 40 3HG LYS 40 -4.458 -4.043 13.176 357 HG3 LYS 40 2HG LYS 40 -3.448 -3.160 12.031 358 HD2 LYS 40 3HD LYS 40 -3.105 -6.051 12.850 359 HD3 LYS 40 2HD LYS 40 -2.096 -4.697 13.356 360 HE2 LYS 40 3HE LYS 40 -1.541 -4.323 10.929 361 HE3 LYS 40 2HE LYS 40 -2.368 -5.838 10.575 362 HZ1 LYS 40 3HZ LYS 40 -0.802 -6.952 12.098 363 HZ2 LYS 40 1HZ LYS 40 0.029 -5.491 12.287 364 HZ3 LYS 40 2HZ LYS 40 -0.032 -6.247 10.773 365 H TYR 41 H TYR 41 -4.490 -2.819 8.712 366 HA TYR 41 HA TYR 41 -3.364 -0.453 9.868 367 HB2 TYR 41 3HB TYR 41 -2.423 -0.053 7.606 368 HB3 TYR 41 2HB TYR 41 -3.375 -1.404 6.994 369 HD1 TYR 41 HD1 TYR 41 -0.984 -0.711 9.798 370 HD2 TYR 41 HD2 TYR 41 -2.263 -3.423 6.775 371 HE1 TYR 41 HE1 TYR 41 0.815 -2.262 10.433 372 HE2 TYR 41 HE2 TYR 41 -0.472 -4.981 7.406 373 HH TYR 41 HH TYR 41 1.686 -4.950 8.522 374 H LEU 42 H LEU 42 -6.113 -1.081 7.739 375 HA LEU 42 HA LEU 42 -6.722 1.547 7.002 376 HB2 LEU 42 3HB LEU 42 -9.093 0.759 6.852 377 HB3 LEU 42 2HB LEU 42 -8.600 -0.742 7.616 378 HG LEU 42 HG LEU 42 -7.151 -1.259 5.707 379 HD11 LEU 42 1HD1 LEU 42 -9.952 -0.526 4.864 380 HD12 LEU 42 2HD1 LEU 42 -9.470 -2.019 5.672 381 HD13 LEU 42 3HD1 LEU 42 -8.882 -1.668 4.046 382 HD21 LEU 42 3HD2 LEU 42 -7.188 0.116 3.688 383 HD22 LEU 42 1HD2 LEU 42 -6.547 1.018 5.061 384 HD23 LEU 42 2HD2 LEU 42 -8.196 1.308 4.509 385 H GLU 43 H GLU 43 -7.403 -0.178 10.015 386 HA GLU 43 HA GLU 43 -8.925 1.822 11.297 387 HB2 GLU 43 3HB GLU 43 -7.995 0.730 13.428 388 HB3 GLU 43 2HB GLU 43 -7.115 -0.353 12.358 389 HG2 GLU 43 3HG GLU 43 -9.097 -1.471 13.031 390 HG3 GLU 43 2HG GLU 43 -9.304 -1.008 11.342 391 H GLU 44 H GLU 44 -5.416 1.318 11.105 392 HA GLU 44 HA GLU 44 -4.664 3.498 12.756 393 HB2 GLU 44 3HB GLU 44 -3.142 2.218 10.462 394 HB3 GLU 44 2HB GLU 44 -3.116 1.669 12.132 395 HG2 GLU 44 3HG GLU 44 -2.090 3.798 12.810 396 HG3 GLU 44 2HG GLU 44 -2.094 4.326 11.128 397 H PHE 45 H PHE 45 -5.405 3.215 9.326 398 HA PHE 45 HA PHE 45 -4.541 5.817 8.565 399 HB2 PHE 45 3HB PHE 45 -5.812 5.400 6.481 400 HB3 PHE 45 2HB PHE 45 -6.514 3.960 7.214 401 HD1 PHE 45 HD1 PHE 45 -5.623 2.804 5.176 402 HD2 PHE 45 HD2 PHE 45 -3.077 4.570 8.100 403 HE1 PHE 45 HE1 PHE 45 -3.743 1.460 4.355 404 HE2 PHE 45 HE2 PHE 45 -1.198 3.217 7.282 405 HZ PHE 45 HZ PHE 45 -1.528 1.659 5.408 406 H ARG 46 H ARG 46 -7.732 4.530 9.510 407 HA ARG 46 HA ARG 46 -9.223 6.809 8.850 408 HB2 ARG 46 3HB ARG 46 -10.869 5.984 10.616 409 HB3 ARG 46 2HB ARG 46 -9.739 4.666 10.909 410 HG2 ARG 46 3HG ARG 46 -10.117 3.703 8.836 411 HG3 ARG 46 2HG ARG 46 -10.686 5.213 8.124 412 HD2 ARG 46 3HD ARG 46 -12.561 3.745 8.384 413 HD3 ARG 46 2HD ARG 46 -12.720 5.071 9.534 414 HE ARG 46 HE ARG 46 -11.509 2.641 10.556 415 HH11 ARG 46 1HH1 ARG 46 -14.349 4.588 10.275 416 HH12 ARG 46 2HH1 ARG 46 -15.186 3.723 11.516 417 HH21 ARG 46 2HH2 ARG 46 -14.223 2.030 12.549 418 HH22 ARG 46 1HH2 ARG 46 -12.609 1.553 12.141 419 H LYS 47 H LYS 47 -7.223 6.178 11.651 420 HA LYS 47 HA LYS 47 -8.016 8.227 13.364 421 HB2 LYS 47 3HB LYS 47 -5.734 8.185 14.241 422 HB3 LYS 47 2HB LYS 47 -5.170 7.362 12.792 423 HG2 LYS 47 3HG LYS 47 -6.578 5.420 13.371 424 HG3 LYS 47 2HG LYS 47 -7.059 6.239 14.859 425 HD2 LYS 47 3HD LYS 47 -4.221 5.510 14.112 426 HD3 LYS 47 2HD LYS 47 -5.248 4.601 15.223 427 HE2 LYS 47 3HE LYS 47 -4.427 7.480 15.602 428 HE3 LYS 47 2HE LYS 47 -3.658 6.098 16.380 429 HZ1 LYS 47 3HZ LYS 47 -6.522 6.795 16.696 430 HZ2 LYS 47 1HZ LYS 47 -5.309 7.226 17.794 431 HZ3 LYS 47 2HZ LYS 47 -5.672 5.596 17.529 432 H GLU 48 H GLU 48 -5.966 8.327 10.494 433 HA GLU 48 HA GLU 48 -5.798 11.269 10.683 434 HB2 GLU 48 3HB GLU 48 -3.847 11.091 9.195 435 HB3 GLU 48 2HB GLU 48 -4.056 9.348 9.116 436 HG2 GLU 48 3HG GLU 48 -2.273 9.860 10.631 437 HG3 GLU 48 2HG GLU 48 -3.634 9.209 11.538 438 H SER 49 H SER 49 -7.936 9.365 9.439 439 HA SER 49 HA SER 49 -7.996 9.444 6.684 440 HB2 SER 49 3HB SER 49 -10.389 9.902 8.488 441 HB3 SER 49 2HB SER 49 -9.724 8.327 8.069 442 HG SER 49 HG SER 49 -11.495 9.763 6.715 443 H GLN 50 H GLN 50 -8.504 12.041 8.898 444 HA GLN 50 HA GLN 50 -9.706 14.035 7.453 445 HB2 GLN 50 3HB GLN 50 -8.441 15.606 8.859 446 HB3 GLN 50 2HB GLN 50 -7.308 14.330 9.281 447 HG2 GLN 50 3HG GLN 50 -8.703 14.486 11.132 448 HG3 GLN 50 2HG GLN 50 -9.319 13.090 10.252 449 HE21 GLN 50 2HE2 GLN 50 -12.426 14.530 9.523 450 HE22 GLN 50 1HE2 GLN 50 -11.306 13.269 9.148 451 H ASN 51 H ASN 51 -6.267 13.064 7.291 452 HA ASN 51 HA ASN 51 -5.914 14.777 4.915 453 HB2 ASN 51 3HB ASN 51 -3.932 15.796 5.744 454 HB3 ASN 51 2HB ASN 51 -3.834 14.685 7.104 455 HD21 ASN 51 2HD2 ASN 51 -5.912 16.525 9.181 456 HD22 ASN 51 1HD2 ASN 51 -5.072 15.044 8.908 457 H ILE 52 H ILE 52 -5.949 11.718 5.502 458 HA ILE 52 HA ILE 52 -3.177 11.088 4.726 459 HB ILE 52 HB ILE 52 -4.155 9.932 6.721 460 HG12 ILE 52 3HG1 ILE 52 -2.239 8.986 5.484 461 HG13 ILE 52 2HG1 ILE 52 -3.346 8.133 4.413 462 HG21 ILE 52 1HG2 ILE 52 -5.839 8.482 4.670 463 HG22 ILE 52 2HG2 ILE 52 -6.437 9.652 5.842 464 HG23 ILE 52 3HG2 ILE 52 -5.755 8.125 6.397 465 HD11 ILE 52 3HD1 ILE 52 -3.059 7.680 7.373 466 HD12 ILE 52 1HD1 ILE 52 -2.430 6.646 6.091 467 HD13 ILE 52 2HD1 ILE 52 -4.172 6.827 6.301 468 H LYS 53 H LYS 53 -2.633 10.124 2.844 469 HA LYS 53 HA LYS 53 -4.771 9.033 1.115 470 HB2 LYS 53 3HB LYS 53 -3.447 9.587 -0.833 471 HB3 LYS 53 2HB LYS 53 -2.102 10.115 0.169 472 HG2 LYS 53 3HG LYS 53 -3.316 12.038 0.916 473 HG3 LYS 53 2HG LYS 53 -4.793 11.472 0.135 474 HD2 LYS 53 3HD LYS 53 -2.279 12.045 -1.426 475 HD3 LYS 53 2HD LYS 53 -3.457 13.303 -1.057 476 HE2 LYS 53 3HE LYS 53 -3.943 12.493 -3.243 477 HE3 LYS 53 2HE LYS 53 -5.204 11.905 -2.167 478 HZ1 LYS 53 3HZ LYS 53 -4.081 9.755 -2.092 479 HZ2 LYS 53 1HZ LYS 53 -2.893 10.325 -3.163 480 HZ3 LYS 53 2HZ LYS 53 -4.502 10.183 -3.670 481 H VAL 54 H VAL 54 -4.305 6.990 0.108 482 HA VAL 54 HA VAL 54 -1.982 5.589 1.291 483 HB VAL 54 HB VAL 54 -4.767 4.449 1.015 484 HG11 VAL 54 1HG1 VAL 54 -3.054 2.743 0.740 485 HG12 VAL 54 2HG1 VAL 54 -3.877 2.539 2.288 486 HG13 VAL 54 3HG1 VAL 54 -2.268 3.263 2.232 487 HG21 VAL 54 3HG2 VAL 54 -4.846 4.499 3.465 488 HG22 VAL 54 1HG2 VAL 54 -4.659 6.121 2.800 489 HG23 VAL 54 2HG2 VAL 54 -3.270 5.290 3.503 490 H LEU 55 H LEU 55 -0.760 4.484 -0.083 491 HA LEU 55 HA LEU 55 -1.803 3.710 -2.735 492 HB2 LEU 55 3HB LEU 55 1.030 3.897 -1.679 493 HB3 LEU 55 2HB LEU 55 0.251 5.055 -2.738 494 HG LEU 55 HG LEU 55 0.796 2.181 -3.506 495 HD11 LEU 55 1HD1 LEU 55 -1.029 3.216 -4.740 496 HD12 LEU 55 2HD1 LEU 55 0.371 2.965 -5.780 497 HD13 LEU 55 3HD1 LEU 55 0.010 4.577 -5.162 498 HD21 LEU 55 3HD2 LEU 55 2.903 3.348 -3.098 499 HD22 LEU 55 1HD2 LEU 55 2.402 4.650 -4.179 500 HD23 LEU 55 2HD2 LEU 55 2.674 3.027 -4.816 501 H ILE 56 H ILE 56 -1.909 1.533 -3.304 502 HA ILE 56 HA ILE 56 -0.914 -0.428 -1.331 503 HB ILE 56 HB ILE 56 -3.592 -0.556 -2.740 504 HG12 ILE 56 3HG1 ILE 56 -3.610 1.027 -0.875 505 HG13 ILE 56 2HG1 ILE 56 -2.880 -0.172 0.187 506 HG21 ILE 56 1HG2 ILE 56 -2.623 -2.775 -2.552 507 HG22 ILE 56 2HG2 ILE 56 -3.955 -2.612 -1.410 508 HG23 ILE 56 3HG2 ILE 56 -2.289 -2.517 -0.841 509 HD11 ILE 56 3HD1 ILE 56 -4.873 -1.551 0.032 510 HD12 ILE 56 1HD1 ILE 56 -5.604 -0.387 -1.073 511 HD13 ILE 56 2HD1 ILE 56 -5.267 0.073 0.596 512 H LEU 57 H LEU 57 0.415 -1.879 -2.195 513 HA LEU 57 HA LEU 57 0.223 -2.488 -5.082 514 HB2 LEU 57 3HB LEU 57 2.585 -3.312 -4.846 515 HB3 LEU 57 2HB LEU 57 2.588 -2.698 -3.204 516 HG LEU 57 HG LEU 57 3.727 -1.238 -4.900 517 HD11 LEU 57 1HD1 LEU 57 2.215 -1.585 -6.773 518 HD12 LEU 57 2HD1 LEU 57 2.360 0.129 -6.385 519 HD13 LEU 57 3HD1 LEU 57 0.920 -0.766 -5.897 520 HD21 LEU 57 3HD2 LEU 57 2.976 -0.325 -2.770 521 HD22 LEU 57 1HD2 LEU 57 1.383 -0.002 -3.454 522 HD23 LEU 57 2HD2 LEU 57 2.796 0.861 -4.062 523 H VAL 58 H VAL 58 -0.401 -4.490 -5.653 524 HA VAL 58 HA VAL 58 -0.370 -6.608 -3.583 525 HB VAL 58 HB VAL 58 -2.473 -7.477 -4.547 526 HG11 VAL 58 1HG1 VAL 58 -2.540 -5.966 -2.614 527 HG12 VAL 58 2HG1 VAL 58 -3.960 -5.764 -3.638 528 HG13 VAL 58 3HG1 VAL 58 -2.654 -4.579 -3.697 529 HG21 VAL 58 3HG2 VAL 58 -2.430 -4.950 -6.207 530 HG22 VAL 58 1HG2 VAL 58 -3.764 -6.099 -6.110 531 HG23 VAL 58 2HG2 VAL 58 -2.227 -6.594 -6.817 532 H SER 59 H SER 59 -0.231 -8.791 -4.311 533 HA SER 59 HA SER 59 1.533 -9.147 -6.565 534 HB2 SER 59 3HB SER 59 0.359 -11.136 -4.606 535 HB3 SER 59 2HB SER 59 1.962 -10.405 -4.538 536 HG SER 59 HG SER 59 1.495 -12.660 -5.567 537 H ASN 60 H ASN 60 -1.825 -10.104 -5.823 538 HA ASN 60 HA ASN 60 -2.161 -10.863 -8.661 539 HB2 ASN 60 3HB ASN 60 -3.576 -12.746 -8.026 540 HB3 ASN 60 2HB ASN 60 -3.385 -12.355 -6.319 541 HD21 ASN 60 2HD2 ASN 60 -0.307 -13.947 -5.987 542 HD22 ASN 60 1HD2 ASN 60 -1.501 -12.932 -5.270 543 H ASP 61 H ASP 61 -4.498 -10.928 -9.346 544 HA ASP 61 HA ASP 61 -5.740 -8.453 -8.727 545 HB2 ASP 61 3HB ASP 61 -7.563 -9.224 -10.211 546 HB3 ASP 61 2HB ASP 61 -6.848 -10.835 -10.232 547 H GLU 62 H GLU 62 -6.229 -11.686 -7.445 548 HA GLU 62 HA GLU 62 -8.699 -11.203 -6.139 549 HB2 GLU 62 3HB GLU 62 -7.991 -13.073 -4.609 550 HB3 GLU 62 2HB GLU 62 -6.432 -13.081 -5.419 551 HG2 GLU 62 3HG GLU 62 -9.089 -13.634 -6.735 552 HG3 GLU 62 2HG GLU 62 -7.921 -14.852 -6.230 553 H GLU 63 H GLU 63 -5.342 -10.936 -5.003 554 HA GLU 63 HA GLU 63 -5.787 -9.808 -2.483 555 HB2 GLU 63 3HB GLU 63 -3.500 -9.057 -2.583 556 HB3 GLU 63 2HB GLU 63 -3.514 -9.057 -4.340 557 HG2 GLU 63 3HG GLU 63 -2.250 -10.932 -3.676 558 HG3 GLU 63 2HG GLU 63 -3.795 -11.544 -4.259 559 H LEU 64 H LEU 64 -5.438 -8.299 -5.663 560 HA LEU 64 HA LEU 64 -5.638 -5.595 -5.034 561 HB2 LEU 64 3HB LEU 64 -6.793 -7.023 -7.441 562 HB3 LEU 64 2HB LEU 64 -5.110 -6.568 -7.268 563 HG LEU 64 HG LEU 64 -7.362 -4.552 -7.268 564 HD11 LEU 64 1HD1 LEU 64 -4.392 -4.256 -7.712 565 HD12 LEU 64 2HD1 LEU 64 -5.264 -3.824 -6.242 566 HD13 LEU 64 3HD1 LEU 64 -5.589 -2.960 -7.742 567 HD21 LEU 64 3HD2 LEU 64 -5.653 -5.461 -9.588 568 HD22 LEU 64 1HD2 LEU 64 -6.786 -4.109 -9.610 569 HD23 LEU 64 2HD2 LEU 64 -7.381 -5.755 -9.395 570 H ASP 65 H ASP 65 -8.243 -7.878 -5.838 571 HA ASP 65 HA ASP 65 -10.395 -6.104 -5.742 572 HB2 ASP 65 3HB ASP 65 -10.540 -9.028 -4.975 573 HB3 ASP 65 2HB ASP 65 -10.340 -8.492 -6.640 574 H LYS 66 H LYS 66 -9.171 -8.277 -3.183 575 HA LYS 66 HA LYS 66 -11.053 -7.482 -1.230 576 HB2 LYS 66 3HB LYS 66 -9.524 -8.597 0.389 577 HB3 LYS 66 2HB LYS 66 -8.333 -8.762 -0.893 578 HG2 LYS 66 3HG LYS 66 -9.610 -10.832 -0.504 579 HG3 LYS 66 2HG LYS 66 -9.807 -10.211 -2.144 580 HD2 LYS 66 3HD LYS 66 -11.948 -10.970 -1.233 581 HD3 LYS 66 2HD LYS 66 -11.970 -9.230 -1.522 582 HE2 LYS 66 3HE LYS 66 -11.421 -8.906 0.908 583 HE3 LYS 66 2HE LYS 66 -11.657 -10.639 1.127 584 HZ1 LYS 66 3HZ LYS 66 -13.634 -9.374 1.693 585 HZ2 LYS 66 1HZ LYS 66 -13.933 -10.401 0.384 586 HZ3 LYS 66 2HZ LYS 66 -13.711 -8.742 0.133 587 H ALA 67 H ALA 67 -7.740 -6.344 -1.874 588 HA ALA 67 HA ALA 67 -7.385 -4.691 0.336 589 HB1 ALA 67 3HB ALA 67 -6.397 -4.230 -2.479 590 HB2 ALA 67 1HB ALA 67 -5.600 -5.212 -1.249 591 HB3 ALA 67 2HB ALA 67 -5.756 -3.469 -1.023 592 H LYS 68 H LYS 68 -8.724 -3.791 -2.857 593 HA LYS 68 HA LYS 68 -9.411 -1.135 -2.057 594 HB2 LYS 68 3HB LYS 68 -8.984 -1.738 -4.413 595 HB3 LYS 68 2HB LYS 68 -10.551 -0.970 -4.205 596 HG2 LYS 68 3HG LYS 68 -11.688 -3.066 -4.415 597 HG3 LYS 68 2HG LYS 68 -10.163 -3.949 -4.393 598 HD2 LYS 68 3HD LYS 68 -11.041 -3.806 -6.659 599 HD3 LYS 68 2HD LYS 68 -9.521 -2.926 -6.523 600 HE2 LYS 68 3HE LYS 68 -12.148 -1.498 -6.235 601 HE3 LYS 68 2HE LYS 68 -11.481 -1.848 -7.828 602 HZ1 LYS 68 3HZ LYS 68 -10.205 -0.218 -5.701 603 HZ2 LYS 68 1HZ LYS 68 -10.827 0.334 -7.173 604 HZ3 LYS 68 2HZ LYS 68 -9.452 -0.651 -7.152 605 H GLU 69 H GLU 69 -11.180 -4.192 -2.187 606 HA GLU 69 HA GLU 69 -13.788 -3.300 -1.788 607 HB2 GLU 69 3HB GLU 69 -12.719 -5.805 -0.502 608 HB3 GLU 69 2HB GLU 69 -12.802 -5.670 -2.248 609 HG2 GLU 69 3HG GLU 69 -14.852 -6.460 -2.117 610 HG3 GLU 69 2HG GLU 69 -15.331 -4.910 -1.434 611 H LEU 70 H LEU 70 -11.398 -4.311 0.667 612 HA LEU 70 HA LEU 70 -12.876 -3.658 2.953 613 HB2 LEU 70 3HB LEU 70 -10.640 -3.462 4.077 614 HB3 LEU 70 2HB LEU 70 -9.888 -3.624 2.501 615 HG LEU 70 HG LEU 70 -10.876 -5.883 2.277 616 HD11 LEU 70 1HD1 LEU 70 -9.275 -5.448 4.800 617 HD12 LEU 70 2HD1 LEU 70 -8.630 -5.652 3.172 618 HD13 LEU 70 3HD1 LEU 70 -9.470 -6.986 3.959 619 HD21 LEU 70 3HD2 LEU 70 -12.858 -5.569 3.662 620 HD22 LEU 70 1HD2 LEU 70 -11.849 -5.417 5.103 621 HD23 LEU 70 2HD2 LEU 70 -11.916 -6.948 4.226 622 H ALA 71 H ALA 71 -10.483 -1.671 1.198 623 HA ALA 71 HA ALA 71 -10.534 0.604 2.789 624 HB1 ALA 71 3HB ALA 71 -8.924 0.226 0.984 625 HB2 ALA 71 1HB ALA 71 -9.689 1.810 0.846 626 HB3 ALA 71 2HB ALA 71 -10.196 0.490 -0.209 627 H GLN 72 H GLN 72 -12.602 -0.128 -0.030 628 HA GLN 72 HA GLN 72 -14.122 2.221 -0.054 629 HB2 GLN 72 3HB GLN 72 -15.871 0.791 -1.186 630 HB3 GLN 72 2HB GLN 72 -14.852 -0.604 -0.856 631 HG2 GLN 72 3HG GLN 72 -13.029 0.535 -2.151 632 HG3 GLN 72 2HG GLN 72 -14.213 1.755 -2.613 633 HE21 GLN 72 2HE2 GLN 72 -13.906 -1.023 -5.146 634 HE22 GLN 72 1HE2 GLN 72 -12.730 -0.092 -4.288 635 H LYS 73 H LYS 73 -14.783 -0.854 1.639 636 HA LYS 73 HA LYS 73 -17.191 -0.009 2.869 637 HB2 LYS 73 3HB LYS 73 -16.890 -1.971 4.340 638 HB3 LYS 73 2HB LYS 73 -15.239 -2.150 3.754 639 HG2 LYS 73 3HG LYS 73 -16.064 -2.585 1.502 640 HG3 LYS 73 2HG LYS 73 -17.722 -2.351 2.051 641 HD2 LYS 73 3HD LYS 73 -17.239 -4.714 1.869 642 HD3 LYS 73 2HD LYS 73 -17.493 -4.280 3.558 643 HE2 LYS 73 3HE LYS 73 -15.183 -4.421 4.051 644 HE3 LYS 73 2HE LYS 73 -14.742 -4.455 2.343 645 HZ1 LYS 73 3HZ LYS 73 -14.605 -6.653 3.395 646 HZ2 LYS 73 1HZ LYS 73 -15.728 -6.622 2.132 647 HZ3 LYS 73 2HZ LYS 73 -16.260 -6.598 3.739 648 H MET 74 H MET 74 -13.862 0.519 3.684 649 HA MET 74 HA MET 74 -14.507 1.563 6.346 650 HB2 MET 74 3HB MET 74 -12.074 1.817 6.594 651 HB3 MET 74 2HB MET 74 -11.843 1.374 4.908 652 HG2 MET 74 3HG MET 74 -11.339 -0.555 6.141 653 HG3 MET 74 2HG MET 74 -12.945 -0.835 5.478 654 HE1 MET 74 3HE MET 74 -11.847 -0.177 9.883 655 HE2 MET 74 1HE MET 74 -11.336 0.940 8.618 656 HE3 MET 74 2HE MET 74 -10.757 -0.728 8.608 657 H GLU 75 H GLU 75 -14.610 2.700 3.249 658 HA GLU 75 HA GLU 75 -14.918 4.732 2.309 659 HB2 GLU 75 3HB GLU 75 -15.379 6.694 3.789 660 HB3 GLU 75 2HB GLU 75 -14.994 5.686 5.178 661 HG2 GLU 75 3HG GLU 75 -16.859 4.235 4.710 662 HG3 GLU 75 2HG GLU 75 -17.195 5.090 3.205 663 H ILE 76 H ILE 76 -12.158 3.764 2.905 664 HA ILE 76 HA ILE 76 -10.701 6.318 3.107 665 HB ILE 76 HB ILE 76 -9.507 3.537 3.144 666 HG12 ILE 76 3HG1 ILE 76 -11.079 3.788 5.031 667 HG13 ILE 76 2HG1 ILE 76 -10.285 5.284 5.509 668 HG21 ILE 76 1HG2 ILE 76 -7.568 4.655 4.146 669 HG22 ILE 76 2HG2 ILE 76 -8.392 6.210 4.025 670 HG23 ILE 76 3HG2 ILE 76 -7.947 5.330 2.562 671 HD11 ILE 76 3HD1 ILE 76 -9.018 2.558 5.488 672 HD12 ILE 76 1HD1 ILE 76 -9.608 3.422 6.906 673 HD13 ILE 76 2HD1 ILE 76 -8.242 4.061 5.991 674 H ASP 77 H ASP 77 -9.845 7.233 1.318 675 HA ASP 77 HA ASP 77 -10.156 5.987 -1.255 676 HB2 ASP 77 3HB ASP 77 -9.214 8.101 -2.130 677 HB3 ASP 77 2HB ASP 77 -8.830 8.600 -0.485 678 H VAL 78 H VAL 78 -8.792 4.408 -1.868 679 HA VAL 78 HA VAL 78 -5.897 4.728 -1.340 680 HB VAL 78 HB VAL 78 -5.673 2.330 -1.133 681 HG11 VAL 78 1HG1 VAL 78 -6.271 3.554 0.904 682 HG12 VAL 78 2HG1 VAL 78 -6.933 1.921 0.923 683 HG13 VAL 78 3HG1 VAL 78 -7.980 3.293 0.563 684 HG21 VAL 78 3HG2 VAL 78 -8.645 2.166 -1.664 685 HG22 VAL 78 1HG2 VAL 78 -7.614 0.817 -1.190 686 HG23 VAL 78 2HG2 VAL 78 -7.360 1.616 -2.740 687 H ARG 79 H ARG 79 -4.435 4.140 -2.946 688 HA ARG 79 HA ARG 79 -5.515 3.685 -5.643 689 HB2 ARG 79 3HB ARG 79 -3.168 4.116 -6.395 690 HB3 ARG 79 2HB ARG 79 -2.718 4.392 -4.719 691 HG2 ARG 79 3HG ARG 79 -4.098 6.349 -4.597 692 HG3 ARG 79 2HG ARG 79 -4.769 6.030 -6.200 693 HD2 ARG 79 3HD ARG 79 -2.543 6.310 -7.189 694 HD3 ARG 79 2HD ARG 79 -1.868 6.618 -5.591 695 HE ARG 79 HE ARG 79 -2.836 8.731 -5.592 696 HH11 ARG 79 1HH1 ARG 79 -3.715 6.993 -8.450 697 HH12 ARG 79 2HH1 ARG 79 -4.242 8.412 -9.276 698 HH21 ARG 79 2HH2 ARG 79 -4.128 10.388 -8.289 699 HH22 ARG 79 1HH2 ARG 79 -3.513 10.534 -6.682 700 H THR 80 H THR 80 -6.022 1.478 -5.622 701 HA THR 80 HA THR 80 -4.037 -0.470 -4.775 702 HB THR 80 HB THR 80 -5.760 -2.146 -5.625 703 HG1 THR 80 HG1 THR 80 -7.118 -1.109 -6.942 704 HG21 THR 80 3HG2 THR 80 -6.628 -0.203 -3.485 705 HG22 THR 80 1HG2 THR 80 -5.535 -1.569 -3.261 706 HG23 THR 80 2HG2 THR 80 -7.220 -1.851 -3.694 707 H ARG 81 H ARG 81 -2.424 -1.053 -6.049 708 HA ARG 81 HA ARG 81 -2.900 -1.428 -8.941 709 HB2 ARG 81 3HB ARG 81 -0.538 -0.669 -9.323 710 HB3 ARG 81 2HB ARG 81 -0.458 -0.198 -7.628 711 HG2 ARG 81 3HG ARG 81 -0.893 1.733 -9.035 712 HG3 ARG 81 2HG ARG 81 -2.278 1.410 -7.990 713 HD2 ARG 81 3HD ARG 81 -3.432 0.301 -9.835 714 HD3 ARG 81 2HD ARG 81 -2.040 0.571 -10.883 715 HE ARG 81 HE ARG 81 -3.195 2.971 -9.759 716 HH11 ARG 81 1HH1 ARG 81 -3.182 0.742 -12.383 717 HH12 ARG 81 2HH1 ARG 81 -3.893 1.867 -13.485 718 HH21 ARG 81 2HH2 ARG 81 -4.403 3.915 -12.832 719 HH22 ARG 81 1HH2 ARG 81 -4.098 4.423 -11.204 720 H LYS 82 H LYS 82 -1.640 -3.083 -9.958 721 HA LYS 82 HA LYS 82 -0.798 -5.177 -8.057 722 HB2 LYS 82 3HB LYS 82 -1.728 -5.428 -10.928 723 HB3 LYS 82 2HB LYS 82 -2.711 -5.732 -9.504 724 HG2 LYS 82 3HG LYS 82 -1.234 -7.595 -8.882 725 HG3 LYS 82 2HG LYS 82 -0.265 -7.301 -10.328 726 HD2 LYS 82 3HD LYS 82 -3.198 -8.048 -10.299 727 HD3 LYS 82 2HD LYS 82 -1.864 -9.147 -10.652 728 HE2 LYS 82 3HE LYS 82 -1.259 -7.813 -12.607 729 HE3 LYS 82 2HE LYS 82 -2.565 -6.681 -12.248 730 HZ1 LYS 82 3HZ LYS 82 -4.153 -8.473 -12.562 731 HZ2 LYS 82 1HZ LYS 82 -2.904 -9.549 -12.931 732 HZ3 LYS 82 2HZ LYS 82 -3.222 -8.242 -13.954 733 H VAL 83 H VAL 83 1.235 -6.007 -8.097 734 HA VAL 83 HA VAL 83 3.015 -5.303 -10.339 735 HB VAL 83 HB VAL 83 4.853 -4.808 -8.778 736 HG11 VAL 83 1HG1 VAL 83 4.062 -2.624 -7.983 737 HG12 VAL 83 2HG1 VAL 83 2.394 -3.119 -8.279 738 HG13 VAL 83 3HG1 VAL 83 3.518 -2.952 -9.628 739 HG21 VAL 83 3HG2 VAL 83 2.754 -5.080 -6.612 740 HG22 VAL 83 1HG2 VAL 83 4.392 -4.465 -6.377 741 HG23 VAL 83 2HG2 VAL 83 4.142 -6.142 -6.865 742 H THR 84 H THR 84 4.313 -6.932 -11.034 743 HA THR 84 HA THR 84 4.594 -9.323 -9.310 744 HB THR 84 HB THR 84 4.992 -10.648 -11.362 745 HG1 THR 84 HG1 THR 84 4.444 -9.616 -13.399 746 HG21 THR 84 3HG2 THR 84 2.687 -10.632 -12.213 747 HG22 THR 84 1HG2 THR 84 2.405 -9.081 -11.422 748 HG23 THR 84 2HG2 THR 84 2.721 -10.521 -10.454 749 H SER 85 H SER 85 6.264 -6.785 -10.888 750 HA SER 85 HA SER 85 8.864 -8.046 -10.252 751 HB2 SER 85 3HB SER 85 9.872 -6.432 -11.832 752 HB3 SER 85 2HB SER 85 8.275 -5.768 -12.169 753 HG SER 85 HG SER 85 7.693 -7.637 -13.168 754 HA PRO 86 HA PRO 86 9.309 -5.285 -6.794 755 HB2 PRO 86 2HB PRO 86 12.179 -5.194 -7.619 756 HB3 PRO 86 3HB PRO 86 11.467 -5.563 -6.043 757 HG2 PRO 86 3HG PRO 86 10.944 -7.747 -6.637 758 HG3 PRO 86 2HG PRO 86 12.434 -7.512 -7.573 759 HD2 PRO 86 3HD PRO 86 10.114 -8.283 -8.730 760 HD3 PRO 86 2HD PRO 86 11.289 -7.246 -9.568 761 H ASP 87 H ASP 87 11.101 -4.363 -9.747 762 HA ASP 87 HA ASP 87 11.418 -1.649 -9.113 763 HB2 ASP 87 3HB ASP 87 11.852 -1.341 -11.542 764 HB3 ASP 87 2HB ASP 87 11.309 -2.997 -11.816 765 H GLU 88 H GLU 88 8.638 -3.331 -10.359 766 HA GLU 88 HA GLU 88 7.201 -1.130 -11.387 767 HB2 GLU 88 3HB GLU 88 5.189 -2.517 -11.015 768 HB3 GLU 88 2HB GLU 88 6.140 -3.629 -10.039 769 HG2 GLU 88 3HG GLU 88 5.860 -4.583 -12.203 770 HG3 GLU 88 2HG GLU 88 7.545 -4.100 -12.029 771 H ALA 89 H ALA 89 6.988 -2.670 -8.170 772 HA ALA 89 HA ALA 89 5.268 -0.851 -6.951 773 HB1 ALA 89 3HB ALA 89 6.170 -1.676 -4.815 774 HB2 ALA 89 1HB ALA 89 7.503 -2.441 -5.679 775 HB3 ALA 89 2HB ALA 89 5.849 -2.993 -5.942 776 H LYS 90 H LYS 90 8.820 -0.792 -7.136 777 HA LYS 90 HA LYS 90 9.372 1.458 -5.613 778 HB2 LYS 90 3HB LYS 90 11.412 1.695 -6.984 779 HB3 LYS 90 2HB LYS 90 10.734 0.600 -8.184 780 HG2 LYS 90 3HG LYS 90 10.664 -1.175 -6.432 781 HG3 LYS 90 2HG LYS 90 11.502 -0.068 -5.344 782 HD2 LYS 90 3HD LYS 90 12.590 -0.917 -8.030 783 HD3 LYS 90 2HD LYS 90 12.984 -1.730 -6.520 784 HE2 LYS 90 3HE LYS 90 13.940 0.346 -5.642 785 HE3 LYS 90 2HE LYS 90 13.537 1.170 -7.150 786 HZ1 LYS 90 3HZ LYS 90 15.348 -1.174 -6.941 787 HZ2 LYS 90 1HZ LYS 90 15.862 0.436 -7.056 788 HZ3 LYS 90 2HZ LYS 90 15.018 -0.274 -8.334 789 H ARG 91 H ARG 91 8.534 1.324 -9.077 790 HA ARG 91 HA ARG 91 8.630 4.105 -9.551 791 HB2 ARG 91 3HB ARG 91 6.988 1.968 -10.938 792 HB3 ARG 91 2HB ARG 91 8.595 2.518 -11.401 793 HG2 ARG 91 3HG ARG 91 7.732 4.704 -11.967 794 HG3 ARG 91 2HG ARG 91 6.131 4.257 -11.381 795 HD2 ARG 91 3HD ARG 91 6.048 2.479 -13.121 796 HD3 ARG 91 2HD ARG 91 7.577 3.091 -13.756 797 HE ARG 91 HE ARG 91 5.726 5.201 -13.581 798 HH11 ARG 91 1HH1 ARG 91 6.377 2.368 -15.441 799 HH12 ARG 91 2HH1 ARG 91 5.543 2.967 -16.833 800 HH21 ARG 91 2HH2 ARG 91 4.576 4.955 -16.794 801 HH22 ARG 91 1HH2 ARG 91 4.655 5.943 -15.377 802 H TRP 92 H TRP 92 5.828 1.996 -8.781 803 HA TRP 92 HA TRP 92 3.861 3.968 -8.816 804 HB2 TRP 92 3HB TRP 92 2.611 2.443 -7.206 805 HB3 TRP 92 2HB TRP 92 4.040 1.412 -7.221 806 HD1 TRP 92 HD1 TRP 92 4.034 -0.426 -9.012 807 HE1 TRP 92 HE1 TRP 92 2.740 -0.875 -11.191 808 HE3 TRP 92 HE3 TRP 92 1.400 3.943 -9.301 809 HZ2 TRP 92 HZ2 TRP 92 0.857 0.449 -12.823 810 HZ3 TRP 92 HZ3 TRP 92 -0.123 4.279 -11.206 811 HH2 TRP 92 HH2 TRP 92 -0.389 2.568 -12.932 812 H ILE 93 H ILE 93 6.041 3.060 -6.167 813 HA ILE 93 HA ILE 93 4.942 4.683 -4.159 814 HB ILE 93 HB ILE 93 7.838 3.921 -4.619 815 HG12 ILE 93 3HG1 ILE 93 6.288 2.029 -4.259 816 HG13 ILE 93 2HG1 ILE 93 5.722 2.776 -2.769 817 HG21 ILE 93 1HG2 ILE 93 7.737 5.913 -3.213 818 HG22 ILE 93 2HG2 ILE 93 8.213 4.510 -2.255 819 HG23 ILE 93 3HG2 ILE 93 6.563 5.128 -2.157 820 HD11 ILE 93 3HD1 ILE 93 7.289 0.992 -2.311 821 HD12 ILE 93 1HD1 ILE 93 7.951 2.546 -1.805 822 HD13 ILE 93 2HD1 ILE 93 8.514 1.791 -3.298 823 H LYS 94 H LYS 94 7.380 5.475 -6.659 824 HA LYS 94 HA LYS 94 7.619 8.211 -5.906 825 HB2 LYS 94 3HB LYS 94 8.189 6.855 -8.553 826 HB3 LYS 94 2HB LYS 94 9.342 7.186 -7.263 827 HG2 LYS 94 3HG LYS 94 8.846 9.644 -7.614 828 HG3 LYS 94 2HG LYS 94 7.969 9.167 -9.068 829 HD2 LYS 94 3HD LYS 94 9.999 8.159 -9.983 830 HD3 LYS 94 2HD LYS 94 10.887 8.602 -8.524 831 HE2 LYS 94 3HE LYS 94 10.392 10.993 -9.002 832 HE3 LYS 94 2HE LYS 94 9.625 10.497 -10.510 833 HZ1 LYS 94 3HZ LYS 94 11.730 9.567 -11.240 834 HZ2 LYS 94 1HZ LYS 94 12.469 10.047 -9.798 835 HZ3 LYS 94 2HZ LYS 94 11.895 11.209 -10.883 836 H GLU 95 H GLU 95 5.616 6.609 -8.392 837 HA GLU 95 HA GLU 95 4.366 8.797 -9.537 838 HB2 GLU 95 3HB GLU 95 2.463 7.293 -10.025 839 HB3 GLU 95 2HB GLU 95 3.088 6.129 -8.869 840 HG2 GLU 95 3HG GLU 95 3.636 5.355 -11.041 841 HG3 GLU 95 2HG GLU 95 5.124 5.900 -10.275 842 H PHE 96 H PHE 96 3.530 7.089 -6.564 843 HA PHE 96 HA PHE 96 1.232 8.657 -5.927 844 HB2 PHE 96 3HB PHE 96 2.973 6.876 -4.202 845 HB3 PHE 96 2HB PHE 96 1.541 6.373 -5.091 846 HD1 PHE 96 HD1 PHE 96 2.761 7.437 -1.968 847 HD2 PHE 96 HD2 PHE 96 -0.673 7.635 -4.485 848 HE1 PHE 96 HE1 PHE 96 1.356 7.923 -0.011 849 HE2 PHE 96 HE2 PHE 96 -2.079 8.119 -2.527 850 HZ PHE 96 HZ PHE 96 -1.065 8.264 -0.290 851 H SER 97 H SER 97 4.621 8.717 -4.859 852 HA SER 97 HA SER 97 4.423 10.721 -2.909 853 HB2 SER 97 3HB SER 97 6.757 10.055 -4.727 854 HB3 SER 97 2HB SER 97 6.432 9.357 -3.142 855 HG SER 97 HG SER 97 7.897 11.433 -3.620 856 H GLU 98 H GLU 98 4.635 10.981 -6.406 857 HA GLU 98 HA GLU 98 5.389 13.677 -6.616 858 HB2 GLU 98 3HB GLU 98 4.348 13.561 -8.902 859 HB3 GLU 98 2HB GLU 98 3.763 11.956 -8.493 860 HG2 GLU 98 3HG GLU 98 5.780 11.824 -9.831 861 HG3 GLU 98 2HG GLU 98 6.060 11.173 -8.219 862 H GLU 99 H GLU 99 2.336 12.335 -5.649 863 HA GLU 99 HA GLU 99 0.611 14.434 -6.429 864 HB2 GLU 99 3HB GLU 99 -0.871 13.648 -4.561 865 HB3 GLU 99 2HB GLU 99 0.408 12.549 -4.067 866 HG2 GLU 99 3HG GLU 99 0.171 11.218 -5.973 867 HG3 GLU 99 2HG GLU 99 -0.739 12.455 -6.838 868 H GLY 100 H GLY 100 2.747 14.097 -3.644 869 HA2 GLY 100 3HA GLY 100 2.569 16.914 -3.051 870 HA3 GLY 100 2HA GLY 100 3.516 15.719 -2.179 871 H GLY 101 H GLY 101 0.006 16.144 -2.757 872 HA2 GLY 101 3HA GLY 101 -0.390 16.073 0.170 873 HA3 GLY 101 2HA GLY 101 -1.280 14.977 -0.872 874 H SER 102 H SER 102 -1.216 18.070 0.549 875 HA SER 102 HA SER 102 -3.838 18.645 -0.664 876 HB2 SER 102 3HB SER 102 -3.807 18.451 1.781 877 HB3 SER 102 2HB SER 102 -4.202 20.102 1.305 878 HG SER 102 HG SER 102 -2.543 20.722 2.419 879 H LEU 103 H LEU 103 -0.954 19.391 -1.609 880 HA LEU 103 HA LEU 103 -0.690 22.188 -1.529 881 HB2 LEU 103 3HB LEU 103 0.824 21.907 -3.462 882 HB3 LEU 103 2HB LEU 103 0.260 20.255 -3.652 883 HG LEU 103 HG LEU 103 1.209 19.663 -1.468 884 HD11 LEU 103 1HD1 LEU 103 3.572 19.833 -2.059 885 HD12 LEU 103 2HD1 LEU 103 3.190 21.054 -3.272 886 HD13 LEU 103 3HD1 LEU 103 2.591 19.406 -3.459 887 HD21 LEU 103 3HD2 LEU 103 2.627 21.243 -0.246 888 HD22 LEU 103 1HD2 LEU 103 0.963 21.822 -0.343 889 HD23 LEU 103 2HD2 LEU 103 2.203 22.520 -1.389 890 H GLU 104 H GLU 104 -2.107 20.114 -4.063 891 HA GLU 104 HA GLU 104 -3.230 22.441 -5.414 892 HB2 GLU 104 3HB GLU 104 -4.050 20.770 -7.080 893 HB3 GLU 104 2HB GLU 104 -3.354 19.489 -6.096 894 HG2 GLU 104 3HG GLU 104 -1.881 19.982 -7.926 895 HG3 GLU 104 2HG GLU 104 -1.121 20.486 -6.417 896 H HIS 105 H HIS 105 -4.802 23.210 -4.009 897 HA HIS 105 HA HIS 105 -6.812 21.493 -2.886 898 HB2 HIS 105 3HB HIS 105 -7.913 23.649 -2.206 899 HB3 HIS 105 2HB HIS 105 -6.620 24.509 -3.034 900 HD1 HIS 105 HD1 HIS 105 -7.321 22.445 0.011 901 HD2 HIS 105 HD2 HIS 105 -4.174 24.576 -1.678 902 HE1 HIS 105 HE1 HIS 105 -5.570 22.597 1.803 903 HE2 HIS 105 HE2 HIS 105 -3.627 23.752 0.710 904 H HIS 106 H HIS 106 -8.822 21.056 -3.600 905 HA HIS 106 HA HIS 106 -9.619 22.163 -6.217 906 HB2 HIS 106 3HB HIS 106 -10.928 20.093 -6.518 907 HB3 HIS 106 2HB HIS 106 -10.406 19.527 -4.934 908 HD1 HIS 106 HD1 HIS 106 -9.381 19.675 -8.466 909 HD2 HIS 106 HD2 HIS 106 -7.604 18.857 -4.799 910 HE1 HIS 106 HE1 HIS 106 -7.189 18.574 -9.009 911 HE2 HIS 106 HE2 HIS 106 -6.179 17.997 -6.780 912 H HIS 107 H HIS 107 -11.466 23.341 -6.318 913 HA HIS 107 HA HIS 107 -12.906 23.893 -3.874 914 HB2 HIS 107 3HB HIS 107 -12.414 25.679 -5.508 915 HB3 HIS 107 2HB HIS 107 -14.139 25.542 -5.187 916 HD1 HIS 107 HD1 HIS 107 -15.661 25.023 -7.141 917 HD2 HIS 107 HD2 HIS 107 -11.631 24.766 -8.117 918 HE1 HIS 107 HE1 HIS 107 -15.584 24.776 -9.637 919 HE2 HIS 107 HE2 HIS 107 -13.157 24.424 -10.169 920 H HIS 108 H HIS 108 -13.229 21.217 -4.432 921 HA HIS 108 HA HIS 108 -15.484 20.558 -6.004 922 HB2 HIS 108 3HB HIS 108 -13.849 18.857 -5.491 923 HB3 HIS 108 2HB HIS 108 -15.400 18.361 -4.826 924 HD1 HIS 108 HD1 HIS 108 -15.555 18.024 -2.305 925 HD2 HIS 108 HD2 HIS 108 -11.895 19.561 -3.528 926 HE1 HIS 108 HE1 HIS 108 -14.070 17.896 -0.297 927 HE2 HIS 108 HE2 HIS 108 -11.947 19.039 -1.001 928 H HIS 109 H HIS 109 -17.616 20.438 -5.573 929 HA HIS 109 HA HIS 109 -18.646 21.708 -3.210 930 HB2 HIS 109 3HB HIS 109 -20.884 21.089 -4.208 931 HB3 HIS 109 2HB HIS 109 -20.005 20.307 -5.518 932 HD1 HIS 109 HD1 HIS 109 -21.918 22.927 -5.623 933 HD2 HIS 109 HD2 HIS 109 -17.778 22.788 -5.913 934 HE1 HIS 109 HE1 HIS 109 -21.259 25.027 -6.827 935 HE2 HIS 109 HE2 HIS 109 -18.776 24.834 -7.144 936 H HIS 110 H HIS 110 -18.145 18.419 -4.226 937 HA HIS 110 HA HIS 110 -18.887 17.517 -1.530 938 HB2 HIS 110 3HB HIS 110 -19.732 16.092 -4.073 939 HB3 HIS 110 2HB HIS 110 -20.800 16.990 -3.000 940 HD1 HIS 110 HD1 HIS 110 -18.912 13.770 -3.256 941 HD2 HIS 110 HD2 HIS 110 -21.494 15.685 -0.626 942 HE1 HIS 110 HE1 HIS 110 -19.595 12.021 -1.594 943 HE2 HIS 110 HE2 HIS 110 -20.953 13.267 0.111 Start of MODEL 7 1 H1 MET 1 1H MET 1 -0.726 16.428 6.032 2 H2 MET 1 2H MET 1 -1.092 17.476 4.753 3 H3 MET 1 3H MET 1 0.414 16.714 4.816 4 HA MET 1 HA MET 1 -2.195 15.338 4.489 5 HB2 MET 1 3HB MET 1 -0.035 15.478 2.389 6 HB3 MET 1 2HB MET 1 -1.173 16.807 2.562 7 HG2 MET 1 3HG MET 1 -2.006 13.951 2.110 8 HG3 MET 1 2HG MET 1 -1.773 15.129 0.819 9 HE1 MET 1 3HE MET 1 -5.701 14.785 1.077 10 HE2 MET 1 1HE MET 1 -4.520 13.501 1.346 11 HE3 MET 1 2HE MET 1 -4.302 14.637 0.014 12 H LEU 2 H LEU 2 -2.071 13.289 5.264 13 HA LEU 2 HA LEU 2 0.522 12.127 5.868 14 HB2 LEU 2 3HB LEU 2 -0.778 10.292 6.907 15 HB3 LEU 2 2HB LEU 2 -2.261 11.052 6.363 16 HG LEU 2 HG LEU 2 -0.350 12.516 8.172 17 HD11 LEU 2 1HD1 LEU 2 -2.377 13.712 8.843 18 HD12 LEU 2 2HD1 LEU 2 -3.321 12.747 7.708 19 HD13 LEU 2 3HD1 LEU 2 -2.075 13.845 7.111 20 HD21 LEU 2 3HD2 LEU 2 -1.637 11.724 10.098 21 HD22 LEU 2 1HD2 LEU 2 -0.819 10.396 9.274 22 HD23 LEU 2 2HD2 LEU 2 -2.551 10.642 9.045 23 H LEU 3 H LEU 3 1.587 10.702 4.632 24 HA LEU 3 HA LEU 3 0.112 9.283 2.492 25 HB2 LEU 3 3HB LEU 3 2.191 9.367 1.164 26 HB3 LEU 3 2HB LEU 3 2.970 10.281 2.443 27 HG LEU 3 HG LEU 3 1.375 12.141 2.068 28 HD11 LEU 3 1HD1 LEU 3 2.274 12.879 -0.089 29 HD12 LEU 3 2HD1 LEU 3 2.849 11.242 -0.409 30 HD13 LEU 3 3HD1 LEU 3 3.524 12.170 0.931 31 HD21 LEU 3 3HD2 LEU 3 0.387 10.452 -0.234 32 HD22 LEU 3 1HD2 LEU 3 -0.063 12.129 0.083 33 HD23 LEU 3 2HD2 LEU 3 -0.521 10.863 1.223 34 H TYR 4 H TYR 4 0.013 7.145 2.881 35 HA TYR 4 HA TYR 4 2.333 5.820 4.161 36 HB2 TYR 4 3HB TYR 4 0.708 4.239 5.216 37 HB3 TYR 4 2HB TYR 4 -0.606 5.240 4.609 38 HD1 TYR 4 HD1 TYR 4 -1.290 7.193 5.775 39 HD2 TYR 4 HD2 TYR 4 2.315 5.221 6.887 40 HE1 TYR 4 HE1 TYR 4 -1.151 8.591 7.789 41 HE2 TYR 4 HE2 TYR 4 2.459 6.613 8.906 42 HH TYR 4 HH TYR 4 1.537 9.008 9.550 43 H VAL 5 H VAL 5 2.581 3.524 3.654 44 HA VAL 5 HA VAL 5 1.396 2.748 1.058 45 HB VAL 5 HB VAL 5 4.289 2.358 1.879 46 HG11 VAL 5 1HG1 VAL 5 3.454 0.491 0.536 47 HG12 VAL 5 2HG1 VAL 5 4.612 1.456 -0.375 48 HG13 VAL 5 3HG1 VAL 5 2.887 1.617 -0.696 49 HG21 VAL 5 3HG2 VAL 5 3.837 4.675 1.271 50 HG22 VAL 5 1HG2 VAL 5 3.082 4.153 -0.237 51 HG23 VAL 5 2HG2 VAL 5 4.808 3.892 0.025 52 H LEU 6 H LEU 6 0.295 0.891 1.253 53 HA LEU 6 HA LEU 6 1.173 -1.133 3.213 54 HB2 LEU 6 3HB LEU 6 -1.097 -2.119 2.888 55 HB3 LEU 6 2HB LEU 6 -1.486 -0.793 1.808 56 HG LEU 6 HG LEU 6 -1.268 0.804 3.658 57 HD11 LEU 6 1HD1 LEU 6 -3.240 0.123 4.931 58 HD12 LEU 6 2HD1 LEU 6 -3.081 -1.522 4.320 59 HD13 LEU 6 3HD1 LEU 6 -3.450 -0.201 3.212 60 HD21 LEU 6 3HD2 LEU 6 -0.959 0.030 5.952 61 HD22 LEU 6 1HD2 LEU 6 0.438 -0.383 4.959 62 HD23 LEU 6 2HD2 LEU 6 -0.744 -1.623 5.380 63 H ILE 7 H ILE 7 2.496 -2.594 2.297 64 HA ILE 7 HA ILE 7 2.022 -3.388 -0.498 65 HB ILE 7 HB ILE 7 4.263 -2.602 -0.116 66 HG12 ILE 7 3HG1 ILE 7 3.981 -4.481 -1.685 67 HG13 ILE 7 2HG1 ILE 7 4.247 -5.625 -0.375 68 HG21 ILE 7 1HG2 ILE 7 4.413 -2.974 2.290 69 HG22 ILE 7 2HG2 ILE 7 5.808 -3.655 1.456 70 HG23 ILE 7 3HG2 ILE 7 4.519 -4.716 2.025 71 HD11 ILE 7 3HD1 ILE 7 6.523 -4.828 -0.106 72 HD12 ILE 7 1HD1 ILE 7 6.266 -3.632 -1.379 73 HD13 ILE 7 2HD1 ILE 7 6.228 -5.353 -1.764 74 H ILE 8 H ILE 8 0.871 -5.178 -0.797 75 HA ILE 8 HA ILE 8 0.947 -7.330 1.210 76 HB ILE 8 HB ILE 8 -0.871 -7.046 -1.200 77 HG12 ILE 8 3HG1 ILE 8 -1.196 -5.205 0.429 78 HG13 ILE 8 2HG1 ILE 8 -1.450 -6.390 1.705 79 HG21 ILE 8 1HG2 ILE 8 -2.250 -8.743 -0.079 80 HG22 ILE 8 2HG2 ILE 8 -1.049 -8.868 1.206 81 HG23 ILE 8 3HG2 ILE 8 -0.634 -9.350 -0.438 82 HD11 ILE 8 3HD1 ILE 8 -3.546 -5.457 0.897 83 HD12 ILE 8 1HD1 ILE 8 -3.452 -7.190 0.591 84 HD13 ILE 8 2HD1 ILE 8 -3.189 -6.045 -0.725 85 H SER 9 H SER 9 2.720 -8.570 0.817 86 HA SER 9 HA SER 9 2.765 -10.213 -1.542 87 HB2 SER 9 3HB SER 9 5.038 -8.251 -1.112 88 HB3 SER 9 2HB SER 9 3.925 -8.284 -2.480 89 HG SER 9 HG SER 9 5.200 -9.686 -3.378 90 H ASN 10 H ASN 10 4.354 -11.913 -1.432 91 HA ASN 10 HA ASN 10 5.392 -12.399 1.296 92 HB2 ASN 10 3HB ASN 10 4.984 -14.499 -0.847 93 HB3 ASN 10 2HB ASN 10 3.676 -13.997 0.216 94 HD21 ASN 10 2HD2 ASN 10 4.637 -16.630 2.254 95 HD22 ASN 10 1HD2 ASN 10 3.460 -15.975 1.174 96 H ASP 11 H ASP 11 6.296 -11.491 -1.788 97 HA ASP 11 HA ASP 11 8.777 -12.948 -2.024 98 HB2 ASP 11 3HB ASP 11 9.101 -11.622 -4.057 99 HB3 ASP 11 2HB ASP 11 7.756 -10.575 -3.610 100 H LYS 12 H LYS 12 10.383 -12.461 -0.639 101 HA LYS 12 HA LYS 12 10.610 -10.044 0.776 102 HB2 LYS 12 3HB LYS 12 13.025 -10.906 1.225 103 HB3 LYS 12 2HB LYS 12 12.506 -12.339 0.350 104 HG2 LYS 12 3HG LYS 12 11.199 -11.223 2.835 105 HG3 LYS 12 2HG LYS 12 12.289 -12.610 2.779 106 HD2 LYS 12 3HD LYS 12 10.716 -13.872 1.463 107 HD3 LYS 12 2HD LYS 12 9.662 -12.466 1.296 108 HE2 LYS 12 3HE LYS 12 9.264 -12.472 3.712 109 HE3 LYS 12 2HE LYS 12 10.308 -13.885 3.879 110 HZ1 LYS 12 3HZ LYS 12 7.899 -13.876 2.152 111 HZ2 LYS 12 1HZ LYS 12 7.855 -14.337 3.782 112 HZ3 LYS 12 2HZ LYS 12 8.798 -15.205 2.679 113 H LYS 13 H LYS 13 12.392 -11.118 -2.138 114 HA LYS 13 HA LYS 13 14.196 -8.953 -2.211 115 HB2 LYS 13 3HB LYS 13 14.470 -9.517 -4.628 116 HB3 LYS 13 2HB LYS 13 13.123 -10.633 -4.482 117 HG2 LYS 13 3HG LYS 13 15.040 -11.972 -4.367 118 HG3 LYS 13 2HG LYS 13 14.483 -11.835 -2.701 119 HD2 LYS 13 3HD LYS 13 16.543 -9.907 -3.711 120 HD3 LYS 13 2HD LYS 13 17.030 -11.545 -3.290 121 HE2 LYS 13 3HE LYS 13 15.620 -9.627 -1.432 122 HE3 LYS 13 2HE LYS 13 17.344 -9.971 -1.424 123 HZ1 LYS 13 3HZ LYS 13 15.244 -12.015 -0.976 124 HZ2 LYS 13 1HZ LYS 13 16.081 -11.216 0.257 125 HZ3 LYS 13 2HZ LYS 13 16.914 -12.219 -0.813 126 H LEU 14 H LEU 14 10.961 -9.289 -3.632 127 HA LEU 14 HA LEU 14 10.928 -6.763 -4.924 128 HB2 LEU 14 3HB LEU 14 8.640 -8.446 -3.879 129 HB3 LEU 14 2HB LEU 14 9.353 -8.554 -5.474 130 HG LEU 14 HG LEU 14 8.599 -5.963 -5.534 131 HD11 LEU 14 1HD1 LEU 14 7.996 -7.659 -7.180 132 HD12 LEU 14 2HD1 LEU 14 6.598 -6.678 -6.741 133 HD13 LEU 14 3HD1 LEU 14 6.773 -8.305 -6.082 134 HD21 LEU 14 3HD2 LEU 14 6.567 -7.293 -3.728 135 HD22 LEU 14 1HD2 LEU 14 6.396 -5.710 -4.488 136 HD23 LEU 14 2HD2 LEU 14 7.651 -5.974 -3.278 137 H ILE 15 H ILE 15 10.011 -7.808 -1.666 138 HA ILE 15 HA ILE 15 8.965 -5.321 -0.795 139 HB ILE 15 HB ILE 15 10.170 -7.576 0.828 140 HG12 ILE 15 3HG1 ILE 15 8.195 -8.238 -0.490 141 HG13 ILE 15 2HG1 ILE 15 7.280 -6.897 0.190 142 HG21 ILE 15 1HG2 ILE 15 8.494 -5.234 1.755 143 HG22 ILE 15 2HG2 ILE 15 10.196 -5.514 2.127 144 HG23 ILE 15 3HG2 ILE 15 8.967 -6.613 2.751 145 HD11 ILE 15 3HD1 ILE 15 7.441 -7.895 2.407 146 HD12 ILE 15 1HD1 ILE 15 8.373 -9.237 1.738 147 HD13 ILE 15 2HD1 ILE 15 6.695 -8.999 1.251 148 H GLU 16 H GLU 16 12.251 -6.622 -0.876 149 HA GLU 16 HA GLU 16 13.559 -4.792 0.778 150 HB2 GLU 16 3HB GLU 16 15.586 -5.259 -0.582 151 HB3 GLU 16 2HB GLU 16 14.578 -6.066 -1.775 152 HG2 GLU 16 3HG GLU 16 15.702 -7.673 -0.365 153 HG3 GLU 16 2HG GLU 16 13.957 -7.751 -0.132 154 H GLU 17 H GLU 17 13.095 -4.597 -2.755 155 HA GLU 17 HA GLU 17 14.219 -2.050 -3.115 156 HB2 GLU 17 3HB GLU 17 12.909 -2.014 -5.245 157 HB3 GLU 17 2HB GLU 17 12.077 -3.470 -4.713 158 HG2 GLU 17 3HG GLU 17 13.824 -4.042 -6.273 159 HG3 GLU 17 2HG GLU 17 14.217 -4.671 -4.676 160 H ALA 18 H ALA 18 10.915 -3.024 -2.324 161 HA ALA 18 HA ALA 18 9.684 -0.501 -2.539 162 HB1 ALA 18 3HB ALA 18 8.433 -2.602 -2.383 163 HB2 ALA 18 1HB ALA 18 7.905 -1.440 -1.167 164 HB3 ALA 18 2HB ALA 18 8.950 -2.785 -0.706 165 H ARG 19 H ARG 19 11.152 -2.116 0.292 166 HA ARG 19 HA ARG 19 10.602 -0.028 2.126 167 HB2 ARG 19 3HB ARG 19 12.304 -1.129 3.579 168 HB3 ARG 19 2HB ARG 19 12.725 -2.186 2.235 169 HG2 ARG 19 3HG ARG 19 10.598 -3.238 2.274 170 HG3 ARG 19 2HG ARG 19 9.934 -2.015 3.356 171 HD2 ARG 19 3HD ARG 19 10.331 -3.990 4.632 172 HD3 ARG 19 2HD ARG 19 11.517 -2.783 5.115 173 HE ARG 19 HE ARG 19 12.625 -4.439 3.123 174 HH11 ARG 19 1HH1 ARG 19 11.634 -4.543 6.428 175 HH12 ARG 19 2HH1 ARG 19 12.786 -5.767 6.842 176 HH21 ARG 19 2HH2 ARG 19 14.145 -6.588 5.331 177 HH22 ARG 19 1HH2 ARG 19 14.087 -6.038 3.690 178 H LYS 20 H LYS 20 13.279 -0.559 -0.089 179 HA LYS 20 HA LYS 20 14.977 1.509 0.898 180 HB2 LYS 20 3HB LYS 20 16.116 1.314 -1.283 181 HB3 LYS 20 2HB LYS 20 14.784 0.336 -1.889 182 HG2 LYS 20 3HG LYS 20 15.303 -1.311 -0.052 183 HG3 LYS 20 2HG LYS 20 16.773 -0.383 0.254 184 HD2 LYS 20 3HD LYS 20 17.578 -0.815 -1.977 185 HD3 LYS 20 2HD LYS 20 16.055 -1.588 -2.423 186 HE2 LYS 20 3HE LYS 20 16.488 -3.324 -0.694 187 HE3 LYS 20 2HE LYS 20 18.062 -2.583 -0.398 188 HZ1 LYS 20 3HZ LYS 20 17.158 -3.750 -2.975 189 HZ2 LYS 20 1HZ LYS 20 18.245 -4.461 -1.892 190 HZ3 LYS 20 2HZ LYS 20 18.665 -3.032 -2.693 191 H MET 21 H MET 21 12.703 1.406 -1.847 192 HA MET 21 HA MET 21 12.991 4.110 -2.594 193 HB2 MET 21 3HB MET 21 10.696 3.698 -3.707 194 HB3 MET 21 2HB MET 21 10.866 2.048 -3.122 195 HG2 MET 21 3HG MET 21 11.609 2.253 -5.426 196 HG3 MET 21 2HG MET 21 12.946 1.810 -4.364 197 HE1 MET 21 3HE MET 21 11.169 4.828 -6.184 198 HE2 MET 21 1HE MET 21 12.304 6.140 -5.853 199 HE3 MET 21 2HE MET 21 11.390 5.414 -4.533 200 H ALA 22 H ALA 22 10.892 2.573 -0.221 201 HA ALA 22 HA ALA 22 9.102 4.658 0.254 202 HB1 ALA 22 3HB ALA 22 8.877 2.434 1.264 203 HB2 ALA 22 1HB ALA 22 8.803 3.702 2.488 204 HB3 ALA 22 2HB ALA 22 10.277 2.752 2.288 205 H GLU 23 H GLU 23 12.286 4.067 1.742 206 HA GLU 23 HA GLU 23 12.371 6.385 3.343 207 HB2 GLU 23 3HB GLU 23 14.835 6.011 3.372 208 HB3 GLU 23 2HB GLU 23 14.636 4.788 2.124 209 HG2 GLU 23 3HG GLU 23 14.877 3.755 4.298 210 HG3 GLU 23 2HG GLU 23 13.271 3.445 3.641 211 H LYS 24 H LYS 24 13.507 5.796 0.023 212 HA LYS 24 HA LYS 24 14.724 8.294 -0.416 213 HB2 LYS 24 3HB LYS 24 14.485 7.780 -2.824 214 HB3 LYS 24 2HB LYS 24 13.378 6.473 -2.429 215 HG2 LYS 24 3HG LYS 24 15.626 5.652 -2.941 216 HG3 LYS 24 2HG LYS 24 15.142 5.266 -1.290 217 HD2 LYS 24 3HD LYS 24 17.465 6.019 -1.363 218 HD3 LYS 24 2HD LYS 24 16.462 7.144 -0.448 219 HE2 LYS 24 3HE LYS 24 16.311 8.590 -2.453 220 HE3 LYS 24 2HE LYS 24 17.401 7.490 -3.299 221 HZ1 LYS 24 3HZ LYS 24 18.059 8.994 -0.827 222 HZ2 LYS 24 1HZ LYS 24 18.573 9.398 -2.386 223 HZ3 LYS 24 2HZ LYS 24 19.106 7.964 -1.669 224 H ALA 25 H ALA 25 11.385 7.229 -0.995 225 HA ALA 25 HA ALA 25 10.559 9.849 -1.931 226 HB1 ALA 25 3HB ALA 25 8.927 7.372 -1.370 227 HB2 ALA 25 1HB ALA 25 9.620 7.820 -2.928 228 HB3 ALA 25 2HB ALA 25 8.363 8.820 -2.203 229 H ASN 26 H ASN 26 11.172 8.628 1.058 230 HA ASN 26 HA ASN 26 10.787 9.331 3.180 231 HB2 ASN 26 3HB ASN 26 9.849 11.554 3.569 232 HB3 ASN 26 2HB ASN 26 9.257 11.615 1.912 233 HD21 ASN 26 2HD2 ASN 26 13.310 11.530 2.028 234 HD22 ASN 26 1HD2 ASN 26 12.382 10.283 2.779 235 H LEU 27 H LEU 27 8.771 7.655 1.636 236 HA LEU 27 HA LEU 27 6.259 8.262 2.988 237 HB2 LEU 27 3HB LEU 27 5.359 6.369 1.675 238 HB3 LEU 27 2HB LEU 27 6.969 6.044 1.059 239 HG LEU 27 HG LEU 27 6.986 8.149 -0.150 240 HD11 LEU 27 1HD1 LEU 27 4.411 6.633 -0.579 241 HD12 LEU 27 2HD1 LEU 27 5.984 6.247 -1.278 242 HD13 LEU 27 3HD1 LEU 27 5.159 7.735 -1.735 243 HD21 LEU 27 3HD2 LEU 27 4.262 8.645 1.062 244 HD22 LEU 27 1HD2 LEU 27 5.038 9.636 -0.177 245 HD23 LEU 27 2HD2 LEU 27 5.746 9.524 1.434 246 H GLU 28 H GLU 28 5.129 6.725 4.276 247 HA GLU 28 HA GLU 28 6.907 5.089 5.950 248 HB2 GLU 28 3HB GLU 28 4.026 5.646 6.596 249 HB3 GLU 28 2HB GLU 28 5.188 6.954 6.728 250 HG2 GLU 28 3HG GLU 28 4.978 6.048 8.883 251 HG3 GLU 28 2HG GLU 28 6.528 5.486 8.266 252 H LEU 29 H LEU 29 6.890 2.893 5.708 253 HA LEU 29 HA LEU 29 4.768 1.750 3.996 254 HB2 LEU 29 3HB LEU 29 7.669 0.924 4.244 255 HB3 LEU 29 2HB LEU 29 6.990 1.893 2.954 256 HG LEU 29 HG LEU 29 5.452 -0.225 2.572 257 HD11 LEU 29 1HD1 LEU 29 7.003 0.667 0.929 258 HD12 LEU 29 2HD1 LEU 29 7.106 -1.092 0.976 259 HD13 LEU 29 3HD1 LEU 29 8.357 -0.115 1.747 260 HD21 LEU 29 3HD2 LEU 29 7.876 -1.436 3.921 261 HD22 LEU 29 1HD2 LEU 29 6.640 -2.327 3.030 262 HD23 LEU 29 2HD2 LEU 29 6.217 -1.486 4.520 263 H ARG 30 H ARG 30 3.627 0.048 4.672 264 HA ARG 30 HA ARG 30 4.553 -1.474 7.026 265 HB2 ARG 30 3HB ARG 30 2.154 -1.793 7.615 266 HB3 ARG 30 2HB ARG 30 1.712 -0.718 6.296 267 HG2 ARG 30 3HG ARG 30 1.625 0.507 8.350 268 HG3 ARG 30 2HG ARG 30 2.990 1.099 7.402 269 HD2 ARG 30 3HD ARG 30 4.493 -0.360 8.743 270 HD3 ARG 30 2HD ARG 30 3.109 -0.807 9.740 271 HE ARG 30 HE ARG 30 3.925 2.003 9.484 272 HH11 ARG 30 1HH1 ARG 30 3.354 -0.768 11.462 273 HH12 ARG 30 2HH1 ARG 30 3.523 0.120 12.934 274 HH21 ARG 30 2HH2 ARG 30 3.939 2.289 12.890 275 HH22 ARG 30 1HH2 ARG 30 4.112 3.120 11.384 276 H THR 31 H THR 31 4.812 -3.594 6.701 277 HA THR 31 HA THR 31 4.070 -4.786 4.170 278 HB THR 31 HB THR 31 5.167 -6.855 5.114 279 HG1 THR 31 HG1 THR 31 4.906 -6.475 7.337 280 HG21 THR 31 3HG2 THR 31 6.422 -5.249 3.746 281 HG22 THR 31 1HG2 THR 31 7.442 -5.959 4.998 282 HG23 THR 31 2HG2 THR 31 6.817 -4.324 5.193 283 H VAL 32 H VAL 32 2.278 -5.887 3.750 284 HA VAL 32 HA VAL 32 0.611 -6.875 5.984 285 HB VAL 32 HB VAL 32 -0.232 -6.272 3.132 286 HG11 VAL 32 1HG1 VAL 32 -1.605 -8.010 4.133 287 HG12 VAL 32 2HG1 VAL 32 -2.529 -6.514 4.003 288 HG13 VAL 32 3HG1 VAL 32 -1.874 -7.013 5.563 289 HG21 VAL 32 3HG2 VAL 32 -1.360 -4.312 4.020 290 HG22 VAL 32 1HG2 VAL 32 0.366 -4.230 4.379 291 HG23 VAL 32 2HG2 VAL 32 -0.780 -4.683 5.643 292 H LYS 33 H LYS 33 -0.001 -9.019 6.059 293 HA LYS 33 HA LYS 33 0.892 -10.761 3.837 294 HB2 LYS 33 3HB LYS 33 1.247 -12.542 5.482 295 HB3 LYS 33 2HB LYS 33 0.720 -11.472 6.775 296 HG2 LYS 33 3HG LYS 33 2.641 -9.983 6.263 297 HG3 LYS 33 2HG LYS 33 3.193 -11.169 5.076 298 HD2 LYS 33 3HD LYS 33 3.368 -12.859 6.849 299 HD3 LYS 33 2HD LYS 33 2.822 -11.671 8.034 300 HE2 LYS 33 3HE LYS 33 4.799 -10.288 7.542 301 HE3 LYS 33 2HE LYS 33 5.351 -11.505 6.388 302 HZ1 LYS 33 3HZ LYS 33 5.379 -13.111 8.255 303 HZ2 LYS 33 1HZ LYS 33 5.037 -11.842 9.319 304 HZ3 LYS 33 2HZ LYS 33 6.482 -11.844 8.443 305 H THR 34 H THR 34 -1.610 -10.297 6.339 306 HA THR 34 HA THR 34 -3.345 -12.191 4.861 307 HB THR 34 HB THR 34 -4.535 -12.654 6.921 308 HG1 THR 34 HG1 THR 34 -2.815 -11.357 8.629 309 HG21 THR 34 3HG2 THR 34 -1.547 -12.793 7.379 310 HG22 THR 34 1HG2 THR 34 -2.507 -13.976 6.490 311 HG23 THR 34 2HG2 THR 34 -2.768 -13.748 8.219 312 H GLU 35 H GLU 35 -5.653 -11.808 4.933 313 HA GLU 35 HA GLU 35 -6.548 -9.313 4.108 314 HB2 GLU 35 3HB GLU 35 -7.988 -11.683 5.311 315 HB3 GLU 35 2HB GLU 35 -7.818 -11.277 3.613 316 HG2 GLU 35 3HG GLU 35 -9.387 -9.609 5.559 317 HG3 GLU 35 2HG GLU 35 -10.088 -10.902 4.600 318 H ASP 36 H ASP 36 -6.752 -10.760 7.365 319 HA ASP 36 HA ASP 36 -8.181 -8.723 8.628 320 HB2 ASP 36 3HB ASP 36 -6.058 -10.533 9.810 321 HB3 ASP 36 2HB ASP 36 -7.776 -10.902 9.679 322 H GLU 37 H GLU 37 -4.678 -9.032 8.113 323 HA GLU 37 HA GLU 37 -3.894 -6.846 9.703 324 HB2 GLU 37 3HB GLU 37 -1.807 -6.851 8.307 325 HB3 GLU 37 2HB GLU 37 -2.553 -8.085 7.299 326 HG2 GLU 37 3HG GLU 37 -2.669 -9.600 9.183 327 HG3 GLU 37 2HG GLU 37 -2.032 -8.354 10.255 328 H LEU 38 H LEU 38 -4.491 -6.968 6.175 329 HA LEU 38 HA LEU 38 -3.932 -4.347 5.508 330 HB2 LEU 38 3HB LEU 38 -6.312 -5.835 4.392 331 HB3 LEU 38 2HB LEU 38 -4.672 -6.330 4.035 332 HG LEU 38 HG LEU 38 -5.430 -5.058 2.177 333 HD11 LEU 38 1HD1 LEU 38 -7.315 -3.914 3.224 334 HD12 LEU 38 2HD1 LEU 38 -6.298 -2.793 2.319 335 HD13 LEU 38 3HD1 LEU 38 -6.199 -2.849 4.078 336 HD21 LEU 38 3HD2 LEU 38 -3.865 -3.193 2.109 337 HD22 LEU 38 1HD2 LEU 38 -3.127 -4.614 2.848 338 HD23 LEU 38 2HD2 LEU 38 -3.672 -3.275 3.861 339 H LYS 39 H LYS 39 -7.131 -5.610 6.476 340 HA LYS 39 HA LYS 39 -8.511 -3.214 6.825 341 HB2 LYS 39 3HB LYS 39 -8.694 -5.839 8.319 342 HB3 LYS 39 2HB LYS 39 -9.617 -5.369 6.899 343 HG2 LYS 39 3HG LYS 39 -10.978 -3.913 8.101 344 HG3 LYS 39 2HG LYS 39 -9.841 -3.802 9.447 345 HD2 LYS 39 3HD LYS 39 -11.425 -6.270 8.693 346 HD3 LYS 39 2HD LYS 39 -11.818 -5.166 10.014 347 HE2 LYS 39 3HE LYS 39 -9.690 -5.684 11.100 348 HE3 LYS 39 2HE LYS 39 -9.264 -6.763 9.774 349 HZ1 LYS 39 3HZ LYS 39 -10.092 -8.001 11.646 350 HZ2 LYS 39 1HZ LYS 39 -11.163 -8.146 10.344 351 HZ3 LYS 39 2HZ LYS 39 -11.542 -7.126 11.637 352 H LYS 40 H LYS 40 -6.441 -4.976 9.082 353 HA LYS 40 HA LYS 40 -6.976 -3.464 11.394 354 HB2 LYS 40 3HB LYS 40 -4.523 -5.079 10.683 355 HB3 LYS 40 2HB LYS 40 -6.011 -5.734 11.342 356 HG2 LYS 40 3HG LYS 40 -5.551 -4.092 13.318 357 HG3 LYS 40 2HG LYS 40 -3.895 -4.120 12.702 358 HD2 LYS 40 3HD LYS 40 -5.553 -6.473 13.623 359 HD3 LYS 40 2HD LYS 40 -4.102 -5.827 14.387 360 HE2 LYS 40 3HE LYS 40 -2.699 -6.639 12.685 361 HE3 LYS 40 2HE LYS 40 -4.045 -6.887 11.573 362 HZ1 LYS 40 3HZ LYS 40 -3.661 -8.423 14.078 363 HZ2 LYS 40 1HZ LYS 40 -3.176 -8.961 12.550 364 HZ3 LYS 40 2HZ LYS 40 -4.815 -8.710 12.875 365 H TYR 41 H TYR 41 -4.579 -2.997 8.824 366 HA TYR 41 HA TYR 41 -3.312 -0.752 10.092 367 HB2 TYR 41 3HB TYR 41 -2.408 -0.275 7.801 368 HB3 TYR 41 2HB TYR 41 -3.384 -1.600 7.181 369 HD1 TYR 41 HD1 TYR 41 -0.715 -0.875 9.699 370 HD2 TYR 41 HD2 TYR 41 -2.475 -3.746 7.093 371 HE1 TYR 41 HE1 TYR 41 1.112 -2.445 10.194 372 HE2 TYR 41 HE2 TYR 41 -0.656 -5.319 7.586 373 HH TYR 41 HH TYR 41 1.624 -5.301 8.376 374 H LEU 42 H LEU 42 -5.947 -1.194 7.792 375 HA LEU 42 HA LEU 42 -6.435 1.492 7.150 376 HB2 LEU 42 3HB LEU 42 -8.758 0.677 6.607 377 HB3 LEU 42 2HB LEU 42 -8.295 -0.882 7.254 378 HG LEU 42 HG LEU 42 -6.615 -1.149 5.512 379 HD11 LEU 42 1HD1 LEU 42 -9.302 -0.328 4.406 380 HD12 LEU 42 2HD1 LEU 42 -8.877 -1.918 5.040 381 HD13 LEU 42 3HD1 LEU 42 -8.105 -1.320 3.573 382 HD21 LEU 42 3HD2 LEU 42 -6.406 0.470 3.684 383 HD22 LEU 42 1HD2 LEU 42 -5.959 1.183 5.232 384 HD23 LEU 42 2HD2 LEU 42 -7.526 1.555 4.511 385 H GLU 43 H GLU 43 -7.299 -0.359 9.993 386 HA GLU 43 HA GLU 43 -9.342 1.128 11.131 387 HB2 GLU 43 3HB GLU 43 -8.362 0.461 13.342 388 HB3 GLU 43 2HB GLU 43 -6.931 -0.104 12.496 389 HG2 GLU 43 3HG GLU 43 -8.158 -2.036 12.906 390 HG3 GLU 43 2HG GLU 43 -8.491 -1.662 11.216 391 H GLU 44 H GLU 44 -5.843 1.694 11.492 392 HA GLU 44 HA GLU 44 -6.083 4.150 12.900 393 HB2 GLU 44 3HB GLU 44 -3.804 2.942 11.314 394 HB3 GLU 44 2HB GLU 44 -4.057 2.828 13.047 395 HG2 GLU 44 3HG GLU 44 -3.431 5.367 11.544 396 HG3 GLU 44 2HG GLU 44 -2.268 4.403 12.450 397 H PHE 45 H PHE 45 -5.934 3.330 9.486 398 HA PHE 45 HA PHE 45 -5.300 5.968 8.593 399 HB2 PHE 45 3HB PHE 45 -5.734 5.060 6.326 400 HB3 PHE 45 2HB PHE 45 -6.336 3.576 7.060 401 HD1 PHE 45 HD1 PHE 45 -4.659 2.239 5.875 402 HD2 PHE 45 HD2 PHE 45 -3.497 5.336 8.561 403 HE1 PHE 45 HE1 PHE 45 -2.372 1.343 5.925 404 HE2 PHE 45 HE2 PHE 45 -1.211 4.439 8.608 405 HZ PHE 45 HZ PHE 45 -0.644 2.441 7.287 406 H ARG 46 H ARG 46 -8.317 4.424 9.380 407 HA ARG 46 HA ARG 46 -10.081 6.108 7.934 408 HB2 ARG 46 3HB ARG 46 -11.737 5.567 9.731 409 HB3 ARG 46 2HB ARG 46 -10.450 4.777 10.630 410 HG2 ARG 46 3HG ARG 46 -10.172 3.165 8.803 411 HG3 ARG 46 2HG ARG 46 -11.505 3.938 7.937 412 HD2 ARG 46 3HD ARG 46 -12.194 1.911 9.200 413 HD3 ARG 46 2HD ARG 46 -13.050 3.372 9.700 414 HE ARG 46 HE ARG 46 -11.065 3.333 11.466 415 HH11 ARG 46 1HH1 ARG 46 -13.162 0.794 10.442 416 HH12 ARG 46 2HH1 ARG 46 -13.013 -0.059 11.936 417 HH21 ARG 46 2HH2 ARG 46 -11.764 0.755 13.575 418 HH22 ARG 46 1HH2 ARG 46 -10.926 2.257 13.373 419 H LYS 47 H LYS 47 -8.520 6.445 11.069 420 HA LYS 47 HA LYS 47 -9.853 8.586 12.174 421 HB2 LYS 47 3HB LYS 47 -7.774 8.983 13.454 422 HB3 LYS 47 2HB LYS 47 -6.898 7.947 12.332 423 HG2 LYS 47 3HG LYS 47 -8.564 6.114 13.004 424 HG3 LYS 47 2HG LYS 47 -8.998 7.177 14.343 425 HD2 LYS 47 3HD LYS 47 -6.235 6.101 13.763 426 HD3 LYS 47 2HD LYS 47 -7.325 5.526 15.024 427 HE2 LYS 47 3HE LYS 47 -7.205 7.639 16.172 428 HE3 LYS 47 2HE LYS 47 -6.256 8.344 14.862 429 HZ1 LYS 47 3HZ LYS 47 -4.856 7.709 16.715 430 HZ2 LYS 47 1HZ LYS 47 -4.485 6.778 15.351 431 HZ3 LYS 47 2HZ LYS 47 -5.391 6.110 16.613 432 H GLU 48 H GLU 48 -6.721 8.923 10.449 433 HA GLU 48 HA GLU 48 -7.231 11.748 10.054 434 HB2 GLU 48 3HB GLU 48 -4.938 11.315 8.670 435 HB3 GLU 48 2HB GLU 48 -4.901 9.946 9.772 436 HG2 GLU 48 3HG GLU 48 -3.679 11.844 10.674 437 HG3 GLU 48 2HG GLU 48 -5.077 11.458 11.678 438 H SER 49 H SER 49 -8.950 9.767 8.591 439 HA SER 49 HA SER 49 -8.463 9.755 5.853 440 HB2 SER 49 3HB SER 49 -11.144 10.156 7.206 441 HB3 SER 49 2HB SER 49 -10.389 8.600 6.860 442 HG SER 49 HG SER 49 -10.415 9.878 4.571 443 H GLN 50 H GLN 50 -9.076 12.397 7.907 444 HA GLN 50 HA GLN 50 -10.123 14.351 6.221 445 HB2 GLN 50 3HB GLN 50 -9.239 15.950 7.785 446 HB3 GLN 50 2HB GLN 50 -8.008 14.820 8.335 447 HG2 GLN 50 3HG GLN 50 -9.699 14.970 10.008 448 HG3 GLN 50 2HG GLN 50 -9.797 13.380 9.259 449 HE21 GLN 50 2HE2 GLN 50 -12.691 15.903 7.935 450 HE22 GLN 50 1HE2 GLN 50 -11.029 16.351 7.851 451 H ASN 51 H ASN 51 -6.726 13.351 6.695 452 HA ASN 51 HA ASN 51 -5.950 14.996 4.356 453 HB2 ASN 51 3HB ASN 51 -3.934 15.718 5.477 454 HB3 ASN 51 2HB ASN 51 -4.278 14.690 6.863 455 HD21 ASN 51 2HD2 ASN 51 -6.413 16.946 8.413 456 HD22 ASN 51 1HD2 ASN 51 -5.776 15.340 8.374 457 H ILE 52 H ILE 52 -6.263 11.913 5.135 458 HA ILE 52 HA ILE 52 -3.504 11.043 4.690 459 HB ILE 52 HB ILE 52 -5.031 10.065 6.506 460 HG12 ILE 52 3HG1 ILE 52 -2.835 9.109 5.811 461 HG13 ILE 52 2HG1 ILE 52 -3.666 8.142 4.597 462 HG21 ILE 52 1HG2 ILE 52 -6.057 8.403 4.205 463 HG22 ILE 52 2HG2 ILE 52 -6.957 9.724 4.939 464 HG23 ILE 52 3HG2 ILE 52 -6.537 8.307 5.901 465 HD11 ILE 52 3HD1 ILE 52 -4.086 7.950 7.568 466 HD12 ILE 52 1HD1 ILE 52 -3.138 6.842 6.576 467 HD13 ILE 52 2HD1 ILE 52 -4.879 6.967 6.336 468 H LYS 53 H LYS 53 -2.845 9.641 3.102 469 HA LYS 53 HA LYS 53 -4.735 8.735 1.041 470 HB2 LYS 53 3HB LYS 53 -3.172 9.320 -0.746 471 HB3 LYS 53 2HB LYS 53 -2.019 9.938 0.423 472 HG2 LYS 53 3HG LYS 53 -2.857 11.945 -0.071 473 HG3 LYS 53 2HG LYS 53 -4.212 11.482 0.956 474 HD2 LYS 53 3HD LYS 53 -4.162 10.903 -2.002 475 HD3 LYS 53 2HD LYS 53 -4.788 12.413 -1.343 476 HE2 LYS 53 3HE LYS 53 -5.806 9.685 -0.555 477 HE3 LYS 53 2HE LYS 53 -6.535 10.686 -1.809 478 HZ1 LYS 53 3HZ LYS 53 -6.313 11.336 1.077 479 HZ2 LYS 53 1HZ LYS 53 -7.725 11.005 0.212 480 HZ3 LYS 53 2HZ LYS 53 -6.862 12.421 -0.097 481 H VAL 54 H VAL 54 -4.506 6.527 0.908 482 HA VAL 54 HA VAL 54 -1.981 5.352 1.909 483 HB VAL 54 HB VAL 54 -4.696 4.032 1.692 484 HG11 VAL 54 1HG1 VAL 54 -3.717 2.276 3.095 485 HG12 VAL 54 2HG1 VAL 54 -2.161 3.108 3.056 486 HG13 VAL 54 3HG1 VAL 54 -2.841 2.440 1.571 487 HG21 VAL 54 3HG2 VAL 54 -4.821 4.271 4.126 488 HG22 VAL 54 1HG2 VAL 54 -4.716 5.845 3.336 489 HG23 VAL 54 2HG2 VAL 54 -3.295 5.156 4.124 490 H LEU 55 H LEU 55 -0.641 4.584 0.395 491 HA LEU 55 HA LEU 55 -1.607 3.737 -2.230 492 HB2 LEU 55 3HB LEU 55 1.168 4.016 -1.061 493 HB3 LEU 55 2HB LEU 55 0.369 5.145 -2.136 494 HG LEU 55 HG LEU 55 1.104 2.325 -2.938 495 HD11 LEU 55 1HD1 LEU 55 0.312 4.727 -4.582 496 HD12 LEU 55 2HD1 LEU 55 -0.680 3.303 -4.266 497 HD13 LEU 55 3HD1 LEU 55 0.797 3.152 -5.217 498 HD21 LEU 55 3HD2 LEU 55 3.144 3.511 -2.398 499 HD22 LEU 55 1HD2 LEU 55 2.644 4.882 -3.385 500 HD23 LEU 55 2HD2 LEU 55 3.002 3.333 -4.145 501 H ILE 56 H ILE 56 -2.154 1.641 -2.581 502 HA ILE 56 HA ILE 56 -0.947 -0.426 -0.841 503 HB ILE 56 HB ILE 56 -3.619 -0.543 -2.266 504 HG12 ILE 56 3HG1 ILE 56 -3.625 1.077 -0.400 505 HG13 ILE 56 2HG1 ILE 56 -2.991 -0.159 0.682 506 HG21 ILE 56 1HG2 ILE 56 -2.329 -2.463 -0.316 507 HG22 ILE 56 2HG2 ILE 56 -2.624 -2.746 -2.031 508 HG23 ILE 56 3HG2 ILE 56 -3.983 -2.584 -0.920 509 HD11 ILE 56 3HD1 ILE 56 -5.374 0.163 0.999 510 HD12 ILE 56 1HD1 ILE 56 -5.029 -1.461 0.405 511 HD13 ILE 56 2HD1 ILE 56 -5.665 -0.235 -0.693 512 H LEU 57 H LEU 57 0.392 -1.834 -1.795 513 HA LEU 57 HA LEU 57 0.153 -2.305 -4.708 514 HB2 LEU 57 3HB LEU 57 2.553 -3.061 -4.565 515 HB3 LEU 57 2HB LEU 57 2.574 -2.496 -2.908 516 HG LEU 57 HG LEU 57 3.612 -0.954 -4.616 517 HD11 LEU 57 1HD1 LEU 57 0.745 -0.498 -5.436 518 HD12 LEU 57 2HD1 LEU 57 1.988 -1.288 -6.407 519 HD13 LEU 57 3HD1 LEU 57 2.150 0.416 -5.988 520 HD21 LEU 57 3HD2 LEU 57 2.659 1.088 -3.656 521 HD22 LEU 57 1HD2 LEU 57 2.963 -0.134 -2.420 522 HD23 LEU 57 2HD2 LEU 57 1.318 0.153 -2.992 523 H VAL 58 H VAL 58 -0.664 -4.234 -5.229 524 HA VAL 58 HA VAL 58 -0.482 -6.433 -3.260 525 HB VAL 58 HB VAL 58 -2.534 -7.310 -4.168 526 HG11 VAL 58 1HG1 VAL 58 -4.094 -5.540 -3.528 527 HG12 VAL 58 2HG1 VAL 58 -2.798 -4.349 -3.645 528 HG13 VAL 58 3HG1 VAL 58 -2.724 -5.615 -2.420 529 HG21 VAL 58 3HG2 VAL 58 -2.453 -5.010 -6.126 530 HG22 VAL 58 1HG2 VAL 58 -3.791 -6.140 -5.930 531 HG23 VAL 58 2HG2 VAL 58 -2.231 -6.718 -6.510 532 H SER 59 H SER 59 -0.320 -8.624 -4.084 533 HA SER 59 HA SER 59 1.502 -8.876 -6.304 534 HB2 SER 59 3HB SER 59 0.231 -10.976 -4.526 535 HB3 SER 59 2HB SER 59 1.840 -10.278 -4.349 536 HG SER 59 HG SER 59 0.895 -11.987 -6.410 537 H ASN 60 H ASN 60 -1.758 -10.232 -5.662 538 HA ASN 60 HA ASN 60 -1.973 -10.907 -8.533 539 HB2 ASN 60 3HB ASN 60 -3.495 -12.655 -7.947 540 HB3 ASN 60 2HB ASN 60 -3.680 -12.046 -6.308 541 HD21 ASN 60 2HD2 ASN 60 -1.499 -14.604 -5.426 542 HD22 ASN 60 1HD2 ASN 60 -3.121 -14.008 -5.415 543 H ASP 61 H ASP 61 -4.212 -10.808 -9.458 544 HA ASP 61 HA ASP 61 -5.410 -8.270 -9.056 545 HB2 ASP 61 3HB ASP 61 -7.135 -9.088 -10.647 546 HB3 ASP 61 2HB ASP 61 -6.439 -10.704 -10.535 547 H GLU 62 H GLU 62 -6.247 -11.513 -7.916 548 HA GLU 62 HA GLU 62 -8.707 -10.982 -6.691 549 HB2 GLU 62 3HB GLU 62 -6.484 -12.818 -5.744 550 HB3 GLU 62 2HB GLU 62 -7.735 -13.241 -6.903 551 HG2 GLU 62 3HG GLU 62 -8.233 -12.505 -4.020 552 HG3 GLU 62 2HG GLU 62 -8.139 -14.149 -4.646 553 H GLU 63 H GLU 63 -5.415 -10.659 -5.354 554 HA GLU 63 HA GLU 63 -6.077 -9.590 -2.846 555 HB2 GLU 63 3HB GLU 63 -3.820 -8.995 -2.628 556 HB3 GLU 63 2HB GLU 63 -3.654 -8.624 -4.335 557 HG2 GLU 63 3HG GLU 63 -2.383 -10.593 -3.736 558 HG3 GLU 63 2HG GLU 63 -3.651 -10.970 -4.894 559 H LEU 64 H LEU 64 -5.502 -8.039 -5.969 560 HA LEU 64 HA LEU 64 -5.629 -5.347 -5.325 561 HB2 LEU 64 3HB LEU 64 -6.774 -6.689 -7.787 562 HB3 LEU 64 2HB LEU 64 -5.076 -6.323 -7.555 563 HG LEU 64 HG LEU 64 -7.263 -4.237 -7.692 564 HD11 LEU 64 1HD1 LEU 64 -5.297 -3.561 -6.399 565 HD12 LEU 64 2HD1 LEU 64 -5.440 -2.650 -7.900 566 HD13 LEU 64 3HD1 LEU 64 -4.261 -3.957 -7.768 567 HD21 LEU 64 3HD2 LEU 64 -5.288 -5.106 -9.808 568 HD22 LEU 64 1HD2 LEU 64 -6.392 -3.735 -9.927 569 HD23 LEU 64 2HD2 LEU 64 -7.031 -5.374 -9.838 570 H ASP 65 H ASP 65 -8.322 -7.540 -6.123 571 HA ASP 65 HA ASP 65 -10.401 -5.685 -5.769 572 HB2 ASP 65 3HB ASP 65 -11.763 -7.859 -5.267 573 HB3 ASP 65 2HB ASP 65 -10.270 -8.683 -5.695 574 H LYS 66 H LYS 66 -9.205 -8.141 -3.448 575 HA LYS 66 HA LYS 66 -10.872 -7.437 -1.325 576 HB2 LYS 66 3HB LYS 66 -9.169 -8.529 0.141 577 HB3 LYS 66 2HB LYS 66 -8.087 -8.611 -1.243 578 HG2 LYS 66 3HG LYS 66 -9.196 -10.743 -0.846 579 HG3 LYS 66 2HG LYS 66 -9.640 -10.066 -2.411 580 HD2 LYS 66 3HD LYS 66 -11.606 -10.991 -1.377 581 HD3 LYS 66 2HD LYS 66 -11.759 -9.238 -1.424 582 HE2 LYS 66 3HE LYS 66 -10.799 -10.730 1.011 583 HE3 LYS 66 2HE LYS 66 -12.496 -10.368 0.716 584 HZ1 LYS 66 3HZ LYS 66 -11.911 -7.997 0.648 585 HZ2 LYS 66 1HZ LYS 66 -10.313 -8.390 1.059 586 HZ3 LYS 66 2HZ LYS 66 -11.564 -8.712 2.141 587 H ALA 67 H ALA 67 -7.755 -6.034 -2.253 588 HA ALA 67 HA ALA 67 -7.339 -4.503 0.088 589 HB1 ALA 67 3HB ALA 67 -6.345 -3.960 -2.711 590 HB2 ALA 67 1HB ALA 67 -5.561 -5.002 -1.523 591 HB3 ALA 67 2HB ALA 67 -5.698 -3.268 -1.223 592 H LYS 68 H LYS 68 -8.598 -3.456 -3.115 593 HA LYS 68 HA LYS 68 -9.374 -0.862 -2.287 594 HB2 LYS 68 3HB LYS 68 -9.131 -1.690 -4.677 595 HB3 LYS 68 2HB LYS 68 -10.554 -0.704 -4.358 596 HG2 LYS 68 3HG LYS 68 -11.965 -2.665 -4.293 597 HG3 LYS 68 2HG LYS 68 -10.559 -3.722 -4.440 598 HD2 LYS 68 3HD LYS 68 -10.103 -2.863 -6.672 599 HD3 LYS 68 2HD LYS 68 -11.448 -1.727 -6.533 600 HE2 LYS 68 3HE LYS 68 -13.041 -3.514 -6.471 601 HE3 LYS 68 2HE LYS 68 -11.765 -4.723 -6.362 602 HZ1 LYS 68 3HZ LYS 68 -12.542 -4.701 -8.578 603 HZ2 LYS 68 1HZ LYS 68 -11.024 -3.959 -8.594 604 HZ3 LYS 68 2HZ LYS 68 -12.421 -3.018 -8.692 605 H GLU 69 H GLU 69 -10.907 -3.972 -2.149 606 HA GLU 69 HA GLU 69 -13.573 -3.340 -1.705 607 HB2 GLU 69 3HB GLU 69 -12.099 -5.599 -0.346 608 HB3 GLU 69 2HB GLU 69 -12.423 -5.613 -2.072 609 HG2 GLU 69 3HG GLU 69 -14.659 -5.915 -1.805 610 HG3 GLU 69 2HG GLU 69 -14.687 -5.191 -0.200 611 H LEU 70 H LEU 70 -11.165 -4.188 0.809 612 HA LEU 70 HA LEU 70 -12.677 -3.529 3.042 613 HB2 LEU 70 3HB LEU 70 -10.389 -3.134 4.144 614 HB3 LEU 70 2HB LEU 70 -9.701 -3.507 2.575 615 HG LEU 70 HG LEU 70 -10.716 -5.764 2.669 616 HD11 LEU 70 1HD1 LEU 70 -9.291 -6.664 4.445 617 HD12 LEU 70 2HD1 LEU 70 -9.071 -5.037 5.095 618 HD13 LEU 70 3HD1 LEU 70 -8.451 -5.442 3.492 619 HD21 LEU 70 3HD2 LEU 70 -12.672 -5.183 4.043 620 HD22 LEU 70 1HD2 LEU 70 -11.617 -4.947 5.437 621 HD23 LEU 70 2HD2 LEU 70 -11.779 -6.547 4.713 622 H ALA 71 H ALA 71 -10.473 -1.437 1.195 623 HA ALA 71 HA ALA 71 -10.611 0.871 2.747 624 HB1 ALA 71 3HB ALA 71 -9.968 2.080 0.723 625 HB2 ALA 71 1HB ALA 71 -10.399 0.679 -0.258 626 HB3 ALA 71 2HB ALA 71 -9.058 0.578 0.884 627 H GLN 72 H GLN 72 -12.761 -0.149 0.100 628 HA GLN 72 HA GLN 72 -14.496 2.115 0.293 629 HB2 GLN 72 3HB GLN 72 -16.036 0.608 -1.102 630 HB3 GLN 72 2HB GLN 72 -14.740 -0.579 -1.044 631 HG2 GLN 72 3HG GLN 72 -13.222 1.080 -2.075 632 HG3 GLN 72 2HG GLN 72 -14.577 2.197 -2.212 633 HE21 GLN 72 2HE2 GLN 72 -14.005 0.253 -5.375 634 HE22 GLN 72 1HE2 GLN 72 -12.941 1.098 -4.312 635 H LYS 73 H LYS 73 -14.486 -1.097 1.723 636 HA LYS 73 HA LYS 73 -17.103 -0.937 2.869 637 HB2 LYS 73 3HB LYS 73 -16.277 -2.907 4.241 638 HB3 LYS 73 2HB LYS 73 -14.730 -2.729 3.420 639 HG2 LYS 73 3HG LYS 73 -16.089 -2.924 1.245 640 HG3 LYS 73 2HG LYS 73 -17.382 -3.540 2.274 641 HD2 LYS 73 3HD LYS 73 -14.612 -4.707 1.963 642 HD3 LYS 73 2HD LYS 73 -16.112 -5.384 1.336 643 HE2 LYS 73 3HE LYS 73 -16.924 -5.619 3.681 644 HE3 LYS 73 2HE LYS 73 -15.331 -5.096 4.234 645 HZ1 LYS 73 3HZ LYS 73 -16.000 -7.546 2.704 646 HZ2 LYS 73 1HZ LYS 73 -15.331 -7.442 4.253 647 HZ3 LYS 73 2HZ LYS 73 -14.411 -6.997 2.904 648 H MET 74 H MET 74 -14.055 0.355 3.763 649 HA MET 74 HA MET 74 -15.060 0.992 6.468 650 HB2 MET 74 3HB MET 74 -12.668 1.284 7.102 651 HB3 MET 74 2HB MET 74 -12.207 0.772 5.485 652 HG2 MET 74 3HG MET 74 -13.332 -1.400 5.898 653 HG3 MET 74 2HG MET 74 -13.652 -0.881 7.550 654 HE1 MET 74 3HE MET 74 -11.716 -0.336 9.322 655 HE2 MET 74 1HE MET 74 -10.888 0.726 8.181 656 HE3 MET 74 2HE MET 74 -9.997 -0.564 8.989 657 H GLU 75 H GLU 75 -14.858 2.378 3.535 658 HA GLU 75 HA GLU 75 -14.914 4.504 2.733 659 HB2 GLU 75 3HB GLU 75 -15.701 6.282 4.252 660 HB3 GLU 75 2HB GLU 75 -15.414 5.228 5.629 661 HG2 GLU 75 3HG GLU 75 -17.761 5.273 5.107 662 HG3 GLU 75 2HG GLU 75 -17.109 3.668 4.783 663 H ILE 76 H ILE 76 -12.509 4.137 2.377 664 HA ILE 76 HA ILE 76 -10.939 6.156 3.856 665 HB ILE 76 HB ILE 76 -9.950 3.377 3.174 666 HG12 ILE 76 3HG1 ILE 76 -11.563 3.376 5.038 667 HG13 ILE 76 2HG1 ILE 76 -10.617 4.612 5.862 668 HG21 ILE 76 1HG2 ILE 76 -8.582 5.606 4.692 669 HG22 ILE 76 2HG2 ILE 76 -8.173 5.060 3.066 670 HG23 ILE 76 3HG2 ILE 76 -7.944 3.980 4.439 671 HD11 ILE 76 3HD1 ILE 76 -10.233 2.397 6.784 672 HD12 ILE 76 1HD1 ILE 76 -8.763 3.075 6.086 673 HD13 ILE 76 2HD1 ILE 76 -9.667 1.838 5.210 674 H ASP 77 H ASP 77 -9.300 7.179 2.751 675 HA ASP 77 HA ASP 77 -9.386 7.240 -0.119 676 HB2 ASP 77 3HB ASP 77 -7.585 8.929 0.145 677 HB3 ASP 77 2HB ASP 77 -7.518 8.563 1.865 678 H VAL 78 H VAL 78 -8.302 5.809 -1.416 679 HA VAL 78 HA VAL 78 -5.656 4.856 -0.559 680 HB VAL 78 HB VAL 78 -6.187 2.528 -1.220 681 HG11 VAL 78 1HG1 VAL 78 -6.243 3.192 1.144 682 HG12 VAL 78 2HG1 VAL 78 -7.424 1.928 0.797 683 HG13 VAL 78 3HG1 VAL 78 -7.953 3.601 0.986 684 HG21 VAL 78 3HG2 VAL 78 -9.044 3.515 -1.337 685 HG22 VAL 78 1HG2 VAL 78 -8.527 1.831 -1.459 686 HG23 VAL 78 2HG2 VAL 78 -8.071 2.986 -2.710 687 H ARG 79 H ARG 79 -4.438 3.760 -2.183 688 HA ARG 79 HA ARG 79 -5.115 4.388 -4.977 689 HB2 ARG 79 3HB ARG 79 -2.343 4.707 -3.779 690 HB3 ARG 79 2HB ARG 79 -3.466 6.048 -3.947 691 HG2 ARG 79 3HG ARG 79 -2.789 4.414 -6.355 692 HG3 ARG 79 2HG ARG 79 -1.630 5.604 -5.760 693 HD2 ARG 79 3HD ARG 79 -4.515 6.245 -6.362 694 HD3 ARG 79 2HD ARG 79 -3.208 6.443 -7.527 695 HE ARG 79 HE ARG 79 -2.437 7.801 -5.245 696 HH11 ARG 79 1HH1 ARG 79 -4.915 8.016 -7.619 697 HH12 ARG 79 2HH1 ARG 79 -5.146 9.709 -7.384 698 HH21 ARG 79 2HH2 ARG 79 -3.917 10.815 -5.903 699 HH22 ARG 79 1HH2 ARG 79 -2.713 9.990 -4.986 700 H THR 80 H THR 80 -5.624 2.185 -5.366 701 HA THR 80 HA THR 80 -3.723 0.157 -4.418 702 HB THR 80 HB THR 80 -6.368 -0.487 -5.719 703 HG1 THR 80 HG1 THR 80 -7.390 0.279 -4.027 704 HG21 THR 80 3HG2 THR 80 -6.253 -2.470 -4.347 705 HG22 THR 80 1HG2 THR 80 -4.832 -1.855 -3.503 706 HG23 THR 80 2HG2 THR 80 -4.721 -2.295 -5.207 707 H ARG 81 H ARG 81 -2.327 -0.828 -5.729 708 HA ARG 81 HA ARG 81 -2.931 -1.118 -8.601 709 HB2 ARG 81 3HB ARG 81 -0.525 -0.590 -9.097 710 HB3 ARG 81 2HB ARG 81 -0.334 -0.095 -7.422 711 HG2 ARG 81 3HG ARG 81 -0.622 1.841 -8.832 712 HG3 ARG 81 2HG ARG 81 -2.013 1.669 -7.759 713 HD2 ARG 81 3HD ARG 81 -3.316 0.680 -9.560 714 HD3 ARG 81 2HD ARG 81 -1.921 0.754 -10.636 715 HE ARG 81 HE ARG 81 -2.479 3.334 -9.669 716 HH11 ARG 81 1HH1 ARG 81 -3.804 0.964 -11.800 717 HH12 ARG 81 2HH1 ARG 81 -4.567 2.148 -12.800 718 HH21 ARG 81 2HH2 ARG 81 -4.395 4.294 -12.327 719 HH22 ARG 81 1HH2 ARG 81 -3.462 4.824 -10.967 720 H LYS 82 H LYS 82 -1.638 -2.833 -9.664 721 HA LYS 82 HA LYS 82 -0.906 -4.959 -7.749 722 HB2 LYS 82 3HB LYS 82 -1.648 -5.217 -10.674 723 HB3 LYS 82 2HB LYS 82 -2.741 -5.494 -9.323 724 HG2 LYS 82 3HG LYS 82 -1.395 -7.365 -8.569 725 HG3 LYS 82 2HG LYS 82 -0.206 -7.054 -9.833 726 HD2 LYS 82 3HD LYS 82 -3.091 -7.809 -10.329 727 HD3 LYS 82 2HD LYS 82 -1.728 -8.927 -10.383 728 HE2 LYS 82 3HE LYS 82 -0.723 -7.582 -12.191 729 HE3 LYS 82 2HE LYS 82 -2.134 -6.524 -12.165 730 HZ1 LYS 82 3HZ LYS 82 -3.512 -8.454 -12.720 731 HZ2 LYS 82 1HZ LYS 82 -2.126 -9.416 -12.828 732 HZ3 LYS 82 2HZ LYS 82 -2.351 -8.139 -13.911 733 H VAL 83 H VAL 83 1.170 -5.550 -7.568 734 HA VAL 83 HA VAL 83 3.029 -4.879 -9.763 735 HB VAL 83 HB VAL 83 4.806 -4.559 -8.116 736 HG11 VAL 83 1HG1 VAL 83 4.018 -2.463 -7.116 737 HG12 VAL 83 2HG1 VAL 83 2.351 -2.913 -7.480 738 HG13 VAL 83 3HG1 VAL 83 3.491 -2.616 -8.793 739 HG21 VAL 83 3HG2 VAL 83 4.045 -6.083 -6.370 740 HG22 VAL 83 1HG2 VAL 83 2.668 -5.034 -6.029 741 HG23 VAL 83 2HG2 VAL 83 4.307 -4.471 -5.703 742 H THR 84 H THR 84 4.205 -6.497 -10.591 743 HA THR 84 HA THR 84 4.415 -9.036 -9.079 744 HB THR 84 HB THR 84 4.730 -10.178 -11.257 745 HG1 THR 84 HG1 THR 84 3.857 -8.658 -13.071 746 HG21 THR 84 3HG2 THR 84 2.193 -8.540 -11.068 747 HG22 THR 84 1HG2 THR 84 2.495 -10.086 -10.274 748 HG23 THR 84 2HG2 THR 84 2.399 -10.001 -12.033 749 H SER 85 H SER 85 6.133 -6.717 -11.095 750 HA SER 85 HA SER 85 8.713 -7.951 -10.407 751 HB2 SER 85 3HB SER 85 9.684 -6.436 -12.074 752 HB3 SER 85 2HB SER 85 8.127 -5.632 -12.278 753 HG SER 85 HG SER 85 7.987 -7.046 -13.852 754 HA PRO 86 HA PRO 86 9.521 -5.125 -7.083 755 HB2 PRO 86 2HB PRO 86 12.285 -4.908 -8.191 756 HB3 PRO 86 3HB PRO 86 11.749 -5.340 -6.562 757 HG2 PRO 86 3HG PRO 86 11.276 -7.542 -7.154 758 HG3 PRO 86 2HG PRO 86 12.652 -7.216 -8.227 759 HD2 PRO 86 3HD PRO 86 10.280 -8.083 -9.178 760 HD3 PRO 86 2HD PRO 86 11.291 -6.942 -10.093 761 H ASP 87 H ASP 87 10.821 -4.211 -10.273 762 HA ASP 87 HA ASP 87 11.196 -1.489 -9.905 763 HB2 ASP 87 3HB ASP 87 10.206 -2.919 -12.385 764 HB3 ASP 87 2HB ASP 87 11.890 -2.674 -11.931 765 H GLU 88 H GLU 88 8.188 -3.213 -10.650 766 HA GLU 88 HA GLU 88 6.495 -1.074 -11.208 767 HB2 GLU 88 3HB GLU 88 4.652 -2.532 -10.410 768 HB3 GLU 88 2HB GLU 88 5.833 -3.621 -9.700 769 HG2 GLU 88 3HG GLU 88 5.067 -4.558 -11.757 770 HG3 GLU 88 2HG GLU 88 6.742 -4.051 -11.960 771 H ALA 89 H ALA 89 6.940 -2.661 -8.037 772 HA ALA 89 HA ALA 89 5.453 -0.875 -6.491 773 HB1 ALA 89 3HB ALA 89 6.647 -1.786 -4.563 774 HB2 ALA 89 1HB ALA 89 7.869 -2.479 -5.629 775 HB3 ALA 89 2HB ALA 89 6.208 -3.072 -5.687 776 H LYS 90 H LYS 90 8.940 -0.846 -7.239 777 HA LYS 90 HA LYS 90 9.771 1.362 -5.782 778 HB2 LYS 90 3HB LYS 90 11.502 1.658 -7.575 779 HB3 LYS 90 2HB LYS 90 10.643 0.471 -8.545 780 HG2 LYS 90 3HG LYS 90 11.005 -1.195 -6.747 781 HG3 LYS 90 2HG LYS 90 11.977 -0.001 -5.885 782 HD2 LYS 90 3HD LYS 90 12.566 -1.144 -8.624 783 HD3 LYS 90 2HD LYS 90 13.405 -1.539 -7.125 784 HE2 LYS 90 3HE LYS 90 14.854 -0.013 -8.057 785 HE3 LYS 90 2HE LYS 90 13.875 1.028 -7.027 786 HZ1 LYS 90 3HZ LYS 90 12.499 1.501 -9.042 787 HZ2 LYS 90 1HZ LYS 90 13.656 0.686 -9.960 788 HZ3 LYS 90 2HZ LYS 90 14.081 2.085 -9.119 789 H ARG 91 H ARG 91 8.387 1.291 -9.045 790 HA ARG 91 HA ARG 91 8.562 4.053 -9.560 791 HB2 ARG 91 3HB ARG 91 6.607 2.035 -10.692 792 HB3 ARG 91 2HB ARG 91 8.224 2.349 -11.312 793 HG2 ARG 91 3HG ARG 91 7.585 4.628 -11.884 794 HG3 ARG 91 2HG ARG 91 5.974 4.356 -11.219 795 HD2 ARG 91 3HD ARG 91 5.552 2.633 -12.891 796 HD3 ARG 91 2HD ARG 91 7.178 2.850 -13.543 797 HE ARG 91 HE ARG 91 6.270 5.292 -13.835 798 HH11 ARG 91 1HH1 ARG 91 4.604 2.330 -14.443 799 HH12 ARG 91 2HH1 ARG 91 3.642 3.026 -15.701 800 HH21 ARG 91 2HH2 ARG 91 3.856 5.163 -16.228 801 HH22 ARG 91 1HH2 ARG 91 5.017 6.155 -15.418 802 H TRP 92 H TRP 92 5.780 2.095 -8.445 803 HA TRP 92 HA TRP 92 3.937 4.198 -8.318 804 HB2 TRP 92 3HB TRP 92 2.682 2.708 -6.701 805 HB3 TRP 92 2HB TRP 92 4.045 1.595 -6.789 806 HD1 TRP 92 HD1 TRP 92 3.720 -0.266 -8.522 807 HE1 TRP 92 HE1 TRP 92 2.380 -0.549 -10.700 808 HE3 TRP 92 HE3 TRP 92 1.678 4.408 -8.836 809 HZ2 TRP 92 HZ2 TRP 92 0.686 0.998 -12.337 810 HZ3 TRP 92 HZ3 TRP 92 0.208 4.925 -10.733 811 HH2 TRP 92 HH2 TRP 92 -0.279 3.256 -12.454 812 H ILE 93 H ILE 93 6.222 3.069 -5.837 813 HA ILE 93 HA ILE 93 5.339 4.728 -3.739 814 HB ILE 93 HB ILE 93 8.129 3.721 -4.348 815 HG12 ILE 93 3HG1 ILE 93 6.455 1.956 -3.960 816 HG13 ILE 93 2HG1 ILE 93 5.986 2.720 -2.444 817 HG21 ILE 93 1HG2 ILE 93 8.258 5.683 -2.893 818 HG22 ILE 93 2HG2 ILE 93 8.671 4.218 -2.005 819 HG23 ILE 93 3HG2 ILE 93 7.084 4.958 -1.794 820 HD11 ILE 93 3HD1 ILE 93 8.684 1.536 -3.047 821 HD12 ILE 93 1HD1 ILE 93 7.416 0.797 -2.068 822 HD13 ILE 93 2HD1 ILE 93 8.194 2.284 -1.525 823 H LYS 94 H LYS 94 7.682 5.356 -6.351 824 HA LYS 94 HA LYS 94 8.313 8.006 -5.584 825 HB2 LYS 94 3HB LYS 94 8.418 6.592 -8.251 826 HB3 LYS 94 2HB LYS 94 9.749 6.916 -7.146 827 HG2 LYS 94 3HG LYS 94 9.452 9.347 -7.576 828 HG3 LYS 94 2HG LYS 94 8.218 8.945 -8.770 829 HD2 LYS 94 3HD LYS 94 9.935 7.596 -9.992 830 HD3 LYS 94 2HD LYS 94 11.144 8.208 -8.860 831 HE2 LYS 94 3HE LYS 94 9.489 9.802 -10.817 832 HE3 LYS 94 2HE LYS 94 11.235 9.557 -10.839 833 HZ1 LYS 94 3HZ LYS 94 11.359 10.778 -8.727 834 HZ2 LYS 94 1HZ LYS 94 9.695 11.080 -8.807 835 HZ3 LYS 94 2HZ LYS 94 10.733 11.722 -9.977 836 H GLU 95 H GLU 95 6.042 6.856 -8.106 837 HA GLU 95 HA GLU 95 4.992 9.271 -8.923 838 HB2 GLU 95 3HB GLU 95 3.021 8.053 -9.670 839 HB3 GLU 95 2HB GLU 95 3.382 6.728 -8.575 840 HG2 GLU 95 3HG GLU 95 3.936 6.164 -10.873 841 HG3 GLU 95 2HG GLU 95 5.364 6.166 -9.842 842 H PHE 96 H PHE 96 3.724 7.189 -6.324 843 HA PHE 96 HA PHE 96 1.523 8.753 -5.625 844 HB2 PHE 96 3HB PHE 96 3.148 6.909 -3.861 845 HB3 PHE 96 2HB PHE 96 1.846 6.412 -4.935 846 HD1 PHE 96 HD1 PHE 96 2.681 7.522 -1.655 847 HD2 PHE 96 HD2 PHE 96 -0.475 7.400 -4.516 848 HE1 PHE 96 HE1 PHE 96 1.041 7.884 0.140 849 HE2 PHE 96 HE2 PHE 96 -2.114 7.764 -2.721 850 HZ PHE 96 HZ PHE 96 -1.356 8.004 -0.397 851 H SER 97 H SER 97 4.834 8.801 -4.274 852 HA SER 97 HA SER 97 4.324 10.739 -2.276 853 HB2 SER 97 3HB SER 97 6.360 9.335 -2.281 854 HB3 SER 97 2HB SER 97 6.748 11.049 -2.156 855 HG SER 97 HG SER 97 6.910 9.414 -4.471 856 H GLU 98 H GLU 98 4.926 11.040 -5.706 857 HA GLU 98 HA GLU 98 5.248 13.921 -5.568 858 HB2 GLU 98 3HB GLU 98 5.282 13.802 -8.050 859 HB3 GLU 98 2HB GLU 98 4.957 12.075 -7.949 860 HG2 GLU 98 3HG GLU 98 7.062 11.654 -6.916 861 HG3 GLU 98 2HG GLU 98 7.360 13.375 -6.674 862 H GLU 99 H GLU 99 2.642 11.649 -6.090 863 HA GLU 99 HA GLU 99 0.727 13.504 -7.082 864 HB2 GLU 99 3HB GLU 99 -0.968 11.839 -6.308 865 HB3 GLU 99 2HB GLU 99 0.322 10.930 -5.533 866 HG2 GLU 99 3HG GLU 99 1.357 10.492 -7.681 867 HG3 GLU 99 2HG GLU 99 0.157 11.496 -8.492 868 H GLY 100 H GLY 100 1.363 12.281 -3.784 869 HA2 GLY 100 3HA GLY 100 1.008 14.805 -2.572 870 HA3 GLY 100 2HA GLY 100 1.066 13.268 -1.731 871 H GLY 101 H GLY 101 -1.032 15.644 -3.238 872 HA2 GLY 101 3HA GLY 101 -3.063 15.790 -1.533 873 HA3 GLY 101 2HA GLY 101 -3.448 14.263 -2.310 874 H SER 102 H SER 102 -4.395 17.319 -2.287 875 HA SER 102 HA SER 102 -5.617 17.156 -4.879 876 HB2 SER 102 3HB SER 102 -6.846 18.150 -3.019 877 HB3 SER 102 2HB SER 102 -6.644 19.336 -4.306 878 HG SER 102 HG SER 102 -4.570 19.706 -2.804 879 H LEU 103 H LEU 103 -3.993 17.199 -6.423 880 HA LEU 103 HA LEU 103 -2.060 19.337 -6.549 881 HB2 LEU 103 3HB LEU 103 -1.451 18.294 -8.736 882 HB3 LEU 103 2HB LEU 103 -2.780 17.169 -8.528 883 HG LEU 103 HG LEU 103 -1.690 16.268 -6.500 884 HD11 LEU 103 1HD1 LEU 103 0.167 15.132 -7.640 885 HD12 LEU 103 2HD1 LEU 103 0.056 16.289 -8.965 886 HD13 LEU 103 3HD1 LEU 103 -1.283 15.189 -8.640 887 HD21 LEU 103 3HD2 LEU 103 0.624 16.902 -5.982 888 HD22 LEU 103 1HD2 LEU 103 -0.478 18.264 -5.798 889 HD23 LEU 103 2HD2 LEU 103 0.559 18.155 -7.218 890 H GLU 104 H GLU 104 -4.595 18.317 -8.861 891 HA GLU 104 HA GLU 104 -4.327 20.640 -10.465 892 HB2 GLU 104 3HB GLU 104 -6.257 19.794 -11.689 893 HB3 GLU 104 2HB GLU 104 -6.640 18.691 -10.374 894 HG2 GLU 104 3HG GLU 104 -4.532 17.495 -10.773 895 HG3 GLU 104 2HG GLU 104 -4.178 18.587 -12.111 896 H HIS 105 H HIS 105 -4.777 22.599 -9.501 897 HA HIS 105 HA HIS 105 -7.265 23.006 -8.063 898 HB2 HIS 105 3HB HIS 105 -5.513 25.240 -9.069 899 HB3 HIS 105 2HB HIS 105 -4.978 24.241 -7.725 900 HD1 HIS 105 HD1 HIS 105 -6.337 24.390 -5.508 901 HD2 HIS 105 HD2 HIS 105 -7.486 27.112 -8.433 902 HE1 HIS 105 HE1 HIS 105 -7.739 26.099 -4.321 903 HE2 HIS 105 HE2 HIS 105 -8.359 27.782 -6.086 904 H HIS 106 H HIS 106 -5.870 23.891 -11.206 905 HA HIS 106 HA HIS 106 -6.799 23.995 -13.267 906 HB2 HIS 106 3HB HIS 106 -9.269 22.853 -11.939 907 HB3 HIS 106 2HB HIS 106 -7.921 21.911 -12.563 908 HD1 HIS 106 HD1 HIS 106 -10.893 23.897 -13.678 909 HD2 HIS 106 HD2 HIS 106 -7.877 21.576 -15.350 910 HE1 HIS 106 HE1 HIS 106 -11.584 23.510 -16.055 911 HE2 HIS 106 HE2 HIS 106 -9.820 21.999 -17.009 912 H HIS 107 H HIS 107 -7.885 25.976 -10.825 913 HA HIS 107 HA HIS 107 -10.193 27.165 -11.870 914 HB2 HIS 107 3HB HIS 107 -8.046 28.419 -10.141 915 HB3 HIS 107 2HB HIS 107 -9.462 27.542 -9.567 916 HD1 HIS 107 HD1 HIS 107 -8.386 30.843 -10.902 917 HD2 HIS 107 HD2 HIS 107 -11.904 28.961 -9.752 918 HE1 HIS 107 HE1 HIS 107 -10.108 32.663 -10.766 919 HE2 HIS 107 HE2 HIS 107 -12.260 31.470 -10.238 920 H HIS 108 H HIS 108 -10.163 27.692 -14.024 921 HA HIS 108 HA HIS 108 -8.045 29.360 -15.112 922 HB2 HIS 108 3HB HIS 108 -9.393 29.248 -17.214 923 HB3 HIS 108 2HB HIS 108 -10.612 28.324 -16.342 924 HD1 HIS 108 HD1 HIS 108 -10.015 26.526 -18.285 925 HD2 HIS 108 HD2 HIS 108 -7.115 27.151 -15.375 926 HE1 HIS 108 HE1 HIS 108 -8.466 24.561 -18.447 927 HE2 HIS 108 HE2 HIS 108 -6.650 25.022 -16.772 928 H HIS 109 H HIS 109 -8.849 31.292 -16.535 929 HA HIS 109 HA HIS 109 -10.792 32.899 -14.998 930 HB2 HIS 109 3HB HIS 109 -8.512 33.503 -14.282 931 HB3 HIS 109 2HB HIS 109 -9.310 34.840 -15.103 932 HD1 HIS 109 HD1 HIS 109 -8.158 35.803 -17.122 933 HD2 HIS 109 HD2 HIS 109 -6.467 32.220 -15.871 934 HE1 HIS 109 HE1 HIS 109 -6.076 35.525 -18.493 935 HE2 HIS 109 HE2 HIS 109 -4.974 33.462 -17.575 936 H HIS 110 H HIS 110 -11.255 35.035 -16.209 937 HA HIS 110 HA HIS 110 -11.673 34.421 -19.070 938 HB2 HIS 110 3HB HIS 110 -13.818 34.362 -18.113 939 HB3 HIS 110 2HB HIS 110 -13.713 35.979 -18.796 940 HD1 HIS 110 HD1 HIS 110 -13.289 37.954 -17.052 941 HD2 HIS 110 HD2 HIS 110 -14.284 34.272 -15.404 942 HE1 HIS 110 HE1 HIS 110 -13.953 38.436 -14.681 943 HE2 HIS 110 HE2 HIS 110 -14.425 36.184 -13.668 Start of MODEL 8 1 H1 MET 1 1H MET 1 0.054 16.717 4.852 2 H2 MET 1 2H MET 1 -0.423 17.478 3.422 3 H3 MET 1 3H MET 1 0.996 16.558 3.454 4 HA MET 1 HA MET 1 -1.749 15.506 3.847 5 HB2 MET 1 3HB MET 1 0.067 14.889 1.522 6 HB3 MET 1 2HB MET 1 -0.948 16.324 1.503 7 HG2 MET 1 3HG MET 1 -1.990 13.522 1.877 8 HG3 MET 1 2HG MET 1 -1.929 14.368 0.330 9 HE1 MET 1 3HE MET 1 -5.761 14.439 1.184 10 HE2 MET 1 1HE MET 1 -4.639 13.132 1.567 11 HE3 MET 1 2HE MET 1 -4.538 13.955 0.010 12 H LEU 2 H LEU 2 -1.787 13.574 4.879 13 HA LEU 2 HA LEU 2 0.692 12.269 5.606 14 HB2 LEU 2 3HB LEU 2 -0.727 10.709 6.874 15 HB3 LEU 2 2HB LEU 2 -2.161 11.424 6.166 16 HG LEU 2 HG LEU 2 -0.293 13.133 7.784 17 HD11 LEU 2 1HD1 LEU 2 -2.352 14.364 8.272 18 HD12 LEU 2 2HD1 LEU 2 -3.264 13.221 7.282 19 HD13 LEU 2 3HD1 LEU 2 -2.040 14.254 6.539 20 HD21 LEU 2 3HD2 LEU 2 -1.587 12.602 9.799 21 HD22 LEU 2 1HD2 LEU 2 -0.720 11.193 9.188 22 HD23 LEU 2 2HD2 LEU 2 -2.455 11.350 8.911 23 H LEU 3 H LEU 3 1.613 10.588 4.556 24 HA LEU 3 HA LEU 3 -0.018 9.081 2.608 25 HB2 LEU 3 3HB LEU 3 1.945 9.047 1.108 26 HB3 LEU 3 2HB LEU 3 2.813 10.071 2.237 27 HG LEU 3 HG LEU 3 1.119 11.862 1.858 28 HD11 LEU 3 1HD1 LEU 3 3.239 11.781 0.596 29 HD12 LEU 3 2HD1 LEU 3 1.928 12.516 -0.323 30 HD13 LEU 3 3HD1 LEU 3 2.427 10.861 -0.673 31 HD21 LEU 3 3HD2 LEU 3 0.086 10.008 -0.289 32 HD22 LEU 3 1HD2 LEU 3 -0.438 11.665 -0.000 33 HD23 LEU 3 2HD2 LEU 3 -0.752 10.421 1.207 34 H TYR 4 H TYR 4 -0.025 6.965 2.980 35 HA TYR 4 HA TYR 4 2.318 5.707 4.273 36 HB2 TYR 4 3HB TYR 4 0.680 4.183 5.451 37 HB3 TYR 4 2HB TYR 4 -0.610 5.243 4.894 38 HD1 TYR 4 HD1 TYR 4 -0.601 7.672 5.668 39 HD2 TYR 4 HD2 TYR 4 1.923 4.710 7.399 40 HE1 TYR 4 HE1 TYR 4 -0.262 9.113 7.630 41 HE2 TYR 4 HE2 TYR 4 2.266 6.146 9.362 42 HH TYR 4 HH TYR 4 2.110 8.366 10.066 43 H VAL 5 H VAL 5 2.725 3.509 3.718 44 HA VAL 5 HA VAL 5 1.399 2.634 1.222 45 HB VAL 5 HB VAL 5 4.318 2.269 1.943 46 HG11 VAL 5 1HG1 VAL 5 4.576 1.381 -0.318 47 HG12 VAL 5 2HG1 VAL 5 2.845 1.559 -0.600 48 HG13 VAL 5 3HG1 VAL 5 3.427 0.413 0.607 49 HG21 VAL 5 3HG2 VAL 5 3.835 4.594 1.375 50 HG22 VAL 5 1HG2 VAL 5 3.035 4.079 -0.113 51 HG23 VAL 5 2HG2 VAL 5 4.770 3.826 0.090 52 H LEU 6 H LEU 6 0.522 0.662 1.243 53 HA LEU 6 HA LEU 6 1.400 -1.306 3.267 54 HB2 LEU 6 3HB LEU 6 -0.842 -2.295 3.095 55 HB3 LEU 6 2HB LEU 6 -1.290 -1.097 1.895 56 HG LEU 6 HG LEU 6 -1.133 0.683 3.564 57 HD11 LEU 6 1HD1 LEU 6 -2.803 -1.646 4.513 58 HD12 LEU 6 2HD1 LEU 6 -3.272 -0.445 3.308 59 HD13 LEU 6 3HD1 LEU 6 -3.021 0.041 4.983 60 HD21 LEU 6 3HD2 LEU 6 -0.761 0.148 5.938 61 HD22 LEU 6 1HD2 LEU 6 0.655 -0.198 4.945 62 HD23 LEU 6 2HD2 LEU 6 -0.381 -1.516 5.492 63 H ILE 7 H ILE 7 2.458 -3.035 2.456 64 HA ILE 7 HA ILE 7 2.171 -3.586 -0.436 65 HB ILE 7 HB ILE 7 4.416 -2.844 0.207 66 HG12 ILE 7 3HG1 ILE 7 4.142 -4.421 -1.676 67 HG13 ILE 7 2HG1 ILE 7 4.321 -5.777 -0.569 68 HG21 ILE 7 1HG2 ILE 7 4.433 -3.657 2.519 69 HG22 ILE 7 2HG2 ILE 7 5.852 -4.212 1.634 70 HG23 ILE 7 3HG2 ILE 7 4.514 -5.320 1.937 71 HD11 ILE 7 3HD1 ILE 7 6.425 -3.712 -1.157 72 HD12 ILE 7 1HD1 ILE 7 6.366 -5.349 -1.806 73 HD13 ILE 7 2HD1 ILE 7 6.599 -5.096 -0.078 74 H ILE 8 H ILE 8 1.658 -5.571 -1.162 75 HA ILE 8 HA ILE 8 1.540 -7.827 0.747 76 HB ILE 8 HB ILE 8 -0.505 -7.218 -1.410 77 HG12 ILE 8 3HG1 ILE 8 -0.662 -5.687 0.533 78 HG13 ILE 8 2HG1 ILE 8 -0.785 -7.075 1.606 79 HG21 ILE 8 1HG2 ILE 8 -1.771 -9.103 -0.463 80 HG22 ILE 8 2HG2 ILE 8 -0.447 -9.427 0.655 81 HG23 ILE 8 3HG2 ILE 8 -0.202 -9.619 -1.081 82 HD11 ILE 8 3HD1 ILE 8 -2.891 -7.709 0.554 83 HD12 ILE 8 1HD1 ILE 8 -2.763 -6.322 -0.529 84 HD13 ILE 8 2HD1 ILE 8 -2.953 -6.071 1.206 85 H SER 9 H SER 9 3.189 -9.104 0.062 86 HA SER 9 HA SER 9 3.086 -10.300 -2.561 87 HB2 SER 9 3HB SER 9 5.420 -8.503 -1.843 88 HB3 SER 9 2HB SER 9 4.299 -8.302 -3.190 89 HG SER 9 HG SER 9 5.566 -9.538 -4.309 90 H ASN 10 H ASN 10 4.783 -11.972 -2.863 91 HA ASN 10 HA ASN 10 5.473 -13.227 -0.289 92 HB2 ASN 10 3HB ASN 10 5.430 -14.458 -3.059 93 HB3 ASN 10 2HB ASN 10 4.078 -14.506 -1.931 94 HD21 ASN 10 2HD2 ASN 10 5.450 -17.023 0.081 95 HD22 ASN 10 1HD2 ASN 10 4.284 -15.754 -0.026 96 H ASP 11 H ASP 11 6.882 -11.517 -2.849 97 HA ASP 11 HA ASP 11 9.498 -12.790 -2.691 98 HB2 ASP 11 3HB ASP 11 10.148 -11.039 -4.354 99 HB3 ASP 11 2HB ASP 11 8.514 -10.390 -4.254 100 H LYS 12 H LYS 12 10.610 -12.359 -0.852 101 HA LYS 12 HA LYS 12 10.486 -10.022 0.698 102 HB2 LYS 12 3HB LYS 12 12.696 -10.787 1.625 103 HB3 LYS 12 2HB LYS 12 12.722 -12.041 0.393 104 HG2 LYS 12 3HG LYS 12 11.974 -12.998 2.456 105 HG3 LYS 12 2HG LYS 12 10.617 -12.954 1.330 106 HD2 LYS 12 3HD LYS 12 9.710 -10.987 2.430 107 HD3 LYS 12 2HD LYS 12 11.111 -10.909 3.502 108 HE2 LYS 12 3HE LYS 12 9.114 -13.172 3.391 109 HE3 LYS 12 2HE LYS 12 9.154 -11.903 4.613 110 HZ1 LYS 12 3HZ LYS 12 11.322 -13.875 4.116 111 HZ2 LYS 12 1HZ LYS 12 10.216 -13.934 5.392 112 HZ3 LYS 12 2HZ LYS 12 11.338 -12.673 5.304 113 H LYS 13 H LYS 13 12.514 -10.841 -2.077 114 HA LYS 13 HA LYS 13 14.280 -8.668 -2.012 115 HB2 LYS 13 3HB LYS 13 14.484 -9.024 -4.487 116 HB3 LYS 13 2HB LYS 13 13.153 -10.169 -4.388 117 HG2 LYS 13 3HG LYS 13 15.291 -11.322 -4.452 118 HG3 LYS 13 2HG LYS 13 14.479 -11.599 -2.909 119 HD2 LYS 13 3HD LYS 13 15.897 -9.946 -1.825 120 HD3 LYS 13 2HD LYS 13 16.662 -9.557 -3.367 121 HE2 LYS 13 3HE LYS 13 16.776 -12.243 -1.991 122 HE3 LYS 13 2HE LYS 13 18.058 -11.034 -1.979 123 HZ1 LYS 13 3HZ LYS 13 18.515 -12.695 -3.634 124 HZ2 LYS 13 1HZ LYS 13 18.179 -11.229 -4.407 125 HZ3 LYS 13 2HZ LYS 13 17.012 -12.454 -4.370 126 H LEU 14 H LEU 14 11.086 -8.938 -3.576 127 HA LEU 14 HA LEU 14 11.034 -6.307 -4.628 128 HB2 LEU 14 3HB LEU 14 8.702 -8.097 -3.891 129 HB3 LEU 14 2HB LEU 14 9.583 -8.169 -5.402 130 HG LEU 14 HG LEU 14 8.834 -5.659 -5.656 131 HD11 LEU 14 1HD1 LEU 14 6.879 -7.935 -5.984 132 HD12 LEU 14 2HD1 LEU 14 8.142 -7.482 -7.130 133 HD13 LEU 14 3HD1 LEU 14 6.808 -6.375 -6.807 134 HD21 LEU 14 3HD2 LEU 14 6.751 -6.709 -3.730 135 HD22 LEU 14 1HD2 LEU 14 6.627 -5.215 -4.664 136 HD23 LEU 14 2HD2 LEU 14 7.875 -5.384 -3.433 137 H ILE 15 H ILE 15 9.792 -7.691 -1.590 138 HA ILE 15 HA ILE 15 8.592 -5.409 -0.525 139 HB ILE 15 HB ILE 15 10.071 -7.596 0.960 140 HG12 ILE 15 3HG1 ILE 15 8.207 -8.406 -0.451 141 HG13 ILE 15 2HG1 ILE 15 7.118 -7.271 0.341 142 HG21 ILE 15 1HG2 ILE 15 8.097 -5.552 1.999 143 HG22 ILE 15 2HG2 ILE 15 9.815 -5.646 2.390 144 HG23 ILE 15 3HG2 ILE 15 8.721 -6.924 2.915 145 HD11 ILE 15 3HD1 ILE 15 7.421 -8.428 2.458 146 HD12 ILE 15 1HD1 ILE 15 8.542 -9.554 1.693 147 HD13 ILE 15 2HD1 ILE 15 6.848 -9.527 1.203 148 H GLU 16 H GLU 16 11.985 -6.482 -0.228 149 HA GLU 16 HA GLU 16 12.917 -4.318 1.291 150 HB2 GLU 16 3HB GLU 16 15.172 -4.893 0.246 151 HB3 GLU 16 2HB GLU 16 14.320 -6.125 -0.677 152 HG2 GLU 16 3HG GLU 16 15.410 -7.016 1.338 153 HG3 GLU 16 2HG GLU 16 13.664 -7.260 1.341 154 H GLU 17 H GLU 17 12.943 -4.740 -2.262 155 HA GLU 17 HA GLU 17 14.053 -2.309 -3.001 156 HB2 GLU 17 3HB GLU 17 12.618 -2.524 -5.081 157 HB3 GLU 17 2HB GLU 17 11.839 -3.901 -4.324 158 HG2 GLU 17 3HG GLU 17 13.446 -4.772 -5.806 159 HG3 GLU 17 2HG GLU 17 14.098 -4.986 -4.185 160 H ALA 18 H ALA 18 10.677 -3.041 -2.213 161 HA ALA 18 HA ALA 18 9.626 -0.465 -2.720 162 HB1 ALA 18 3HB ALA 18 8.215 -2.451 -2.591 163 HB2 ALA 18 1HB ALA 18 7.672 -1.216 -1.455 164 HB3 ALA 18 2HB ALA 18 8.580 -2.612 -0.873 165 H ARG 19 H ARG 19 10.787 -1.978 0.308 166 HA ARG 19 HA ARG 19 10.192 0.204 1.997 167 HB2 ARG 19 3HB ARG 19 11.847 -0.787 3.570 168 HB3 ARG 19 2HB ARG 19 12.338 -1.913 2.310 169 HG2 ARG 19 3HG ARG 19 10.322 -3.086 2.400 170 HG3 ARG 19 2HG ARG 19 9.476 -1.759 3.197 171 HD2 ARG 19 3HD ARG 19 9.916 -3.625 4.734 172 HD3 ARG 19 2HD ARG 19 10.710 -2.137 5.243 173 HE ARG 19 HE ARG 19 12.280 -4.092 3.730 174 HH11 ARG 19 1HH1 ARG 19 11.557 -2.594 6.755 175 HH12 ARG 19 2HH1 ARG 19 13.011 -3.158 7.498 176 HH21 ARG 19 2HH2 ARG 19 14.464 -4.399 6.344 177 HH22 ARG 19 1HH2 ARG 19 14.140 -4.798 4.692 178 H LYS 20 H LYS 20 13.156 -0.589 0.204 179 HA LYS 20 HA LYS 20 14.760 1.546 0.990 180 HB2 LYS 20 3HB LYS 20 15.548 1.300 -1.565 181 HB3 LYS 20 2HB LYS 20 14.595 -0.172 -1.446 182 HG2 LYS 20 3HG LYS 20 16.936 0.579 0.306 183 HG3 LYS 20 2HG LYS 20 16.948 -0.602 -1.002 184 HD2 LYS 20 3HD LYS 20 15.405 -2.028 0.208 185 HD3 LYS 20 2HD LYS 20 15.253 -0.828 1.488 186 HE2 LYS 20 3HE LYS 20 17.756 -1.061 1.831 187 HE3 LYS 20 2HE LYS 20 17.685 -2.453 0.753 188 HZ1 LYS 20 3HZ LYS 20 16.240 -2.173 3.330 189 HZ2 LYS 20 1HZ LYS 20 17.593 -3.148 3.041 190 HZ3 LYS 20 2HZ LYS 20 16.117 -3.504 2.289 191 H MET 21 H MET 21 12.323 1.423 -1.607 192 HA MET 21 HA MET 21 12.649 4.109 -2.454 193 HB2 MET 21 3HB MET 21 10.277 3.764 -3.378 194 HB3 MET 21 2HB MET 21 10.394 2.131 -2.734 195 HG2 MET 21 3HG MET 21 10.961 2.157 -5.078 196 HG3 MET 21 2HG MET 21 12.376 1.734 -4.113 197 HE1 MET 21 3HE MET 21 11.721 5.942 -5.903 198 HE2 MET 21 1HE MET 21 10.825 5.315 -4.517 199 HE3 MET 21 2HE MET 21 10.577 4.618 -6.121 200 H ALA 22 H ALA 22 10.407 2.633 -0.119 201 HA ALA 22 HA ALA 22 8.851 4.880 0.439 202 HB1 ALA 22 3HB ALA 22 8.269 2.629 1.190 203 HB2 ALA 22 1HB ALA 22 8.275 3.764 2.542 204 HB3 ALA 22 2HB ALA 22 9.623 2.645 2.320 205 H GLU 23 H GLU 23 11.839 3.776 2.044 206 HA GLU 23 HA GLU 23 12.069 5.841 3.923 207 HB2 GLU 23 3HB GLU 23 14.467 5.263 4.001 208 HB3 GLU 23 2HB GLU 23 14.290 4.333 2.520 209 HG2 GLU 23 3HG GLU 23 14.341 2.852 4.413 210 HG3 GLU 23 2HG GLU 23 12.744 2.811 3.672 211 H LYS 24 H LYS 24 13.305 5.654 0.586 212 HA LYS 24 HA LYS 24 14.513 8.232 0.581 213 HB2 LYS 24 3HB LYS 24 14.097 7.879 -2.033 214 HB3 LYS 24 2HB LYS 24 13.766 6.234 -1.511 215 HG2 LYS 24 3HG LYS 24 16.320 7.775 -1.066 216 HG3 LYS 24 2HG LYS 24 16.072 6.459 -2.212 217 HD2 LYS 24 3HD LYS 24 15.631 4.922 -0.338 218 HD3 LYS 24 2HD LYS 24 15.927 6.236 0.799 219 HE2 LYS 24 3HE LYS 24 18.224 6.454 -0.095 220 HE3 LYS 24 2HE LYS 24 17.917 5.084 -1.159 221 HZ1 LYS 24 3HZ LYS 24 17.492 3.738 0.849 222 HZ2 LYS 24 1HZ LYS 24 17.962 5.052 1.806 223 HZ3 LYS 24 2HZ LYS 24 19.076 4.323 0.760 224 H ALA 25 H ALA 25 11.240 7.150 0.073 225 HA ALA 25 HA ALA 25 10.393 9.727 -1.022 226 HB1 ALA 25 3HB ALA 25 8.772 7.239 -0.464 227 HB2 ALA 25 1HB ALA 25 9.508 7.663 -2.010 228 HB3 ALA 25 2HB ALA 25 8.222 8.668 -1.340 229 H ASN 26 H ASN 26 10.997 8.642 2.015 230 HA ASN 26 HA ASN 26 10.498 9.410 4.102 231 HB2 ASN 26 3HB ASN 26 9.345 11.579 4.342 232 HB3 ASN 26 2HB ASN 26 8.903 11.530 2.637 233 HD21 ASN 26 2HD2 ASN 26 11.714 13.475 2.073 234 HD22 ASN 26 1HD2 ASN 26 9.990 13.359 2.074 235 H LEU 27 H LEU 27 8.619 7.581 2.518 236 HA LEU 27 HA LEU 27 6.075 8.088 3.914 237 HB2 LEU 27 3HB LEU 27 5.060 6.571 2.318 238 HB3 LEU 27 2HB LEU 27 6.633 6.123 1.683 239 HG LEU 27 HG LEU 27 6.937 8.317 0.721 240 HD11 LEU 27 1HD1 LEU 27 4.183 7.243 0.105 241 HD12 LEU 27 2HD1 LEU 27 5.699 6.692 -0.609 242 HD13 LEU 27 3HD1 LEU 27 5.122 8.329 -0.919 243 HD21 LEU 27 3HD2 LEU 27 4.299 9.036 2.000 244 HD22 LEU 27 1HD2 LEU 27 5.192 10.042 0.858 245 HD23 LEU 27 2HD2 LEU 27 5.887 9.670 2.434 246 H GLU 28 H GLU 28 5.099 6.539 5.228 247 HA GLU 28 HA GLU 28 6.890 4.550 6.373 248 HB2 GLU 28 3HB GLU 28 4.064 5.321 7.158 249 HB3 GLU 28 2HB GLU 28 5.537 5.983 7.857 250 HG2 GLU 28 3HG GLU 28 6.135 3.705 8.642 251 HG3 GLU 28 2HG GLU 28 4.578 3.133 8.044 252 H LEU 29 H LEU 29 7.018 2.589 5.485 253 HA LEU 29 HA LEU 29 4.690 1.484 4.063 254 HB2 LEU 29 3HB LEU 29 7.601 0.671 3.959 255 HB3 LEU 29 2HB LEU 29 6.809 1.738 2.820 256 HG LEU 29 HG LEU 29 5.238 -0.318 2.377 257 HD11 LEU 29 1HD1 LEU 29 6.772 0.667 0.740 258 HD12 LEU 29 2HD1 LEU 29 6.738 -1.092 0.620 259 HD13 LEU 29 3HD1 LEU 29 8.099 -0.287 1.404 260 HD21 LEU 29 3HD2 LEU 29 6.038 -1.748 4.173 261 HD22 LEU 29 1HD2 LEU 29 7.681 -1.673 3.535 262 HD23 LEU 29 2HD2 LEU 29 6.411 -2.477 2.613 263 H ARG 30 H ARG 30 3.515 -0.035 5.015 264 HA ARG 30 HA ARG 30 4.717 -1.692 7.147 265 HB2 ARG 30 3HB ARG 30 2.452 -2.049 7.978 266 HB3 ARG 30 2HB ARG 30 1.784 -1.166 6.614 267 HG2 ARG 30 3HG ARG 30 1.700 0.262 8.511 268 HG3 ARG 30 2HG ARG 30 2.952 0.876 7.435 269 HD2 ARG 30 3HD ARG 30 3.536 -0.890 9.811 270 HD3 ARG 30 2HD ARG 30 3.524 0.870 9.893 271 HE ARG 30 HE ARG 30 5.295 -0.418 7.959 272 HH11 ARG 30 1HH1 ARG 30 4.930 1.354 10.899 273 HH12 ARG 30 2HH1 ARG 30 6.610 1.762 10.972 274 HH21 ARG 30 2HH2 ARG 30 8.003 1.062 9.388 275 HH22 ARG 30 1HH2 ARG 30 7.419 0.116 8.064 276 H THR 31 H THR 31 4.542 -3.942 7.062 277 HA THR 31 HA THR 31 4.023 -5.011 4.386 278 HB THR 31 HB THR 31 5.096 -7.072 5.175 279 HG1 THR 31 HG1 THR 31 5.833 -7.263 7.269 280 HG21 THR 31 3HG2 THR 31 6.516 -5.279 4.288 281 HG22 THR 31 1HG2 THR 31 7.352 -6.184 5.549 282 HG23 THR 31 2HG2 THR 31 6.675 -4.597 5.906 283 H VAL 32 H VAL 32 2.046 -5.722 3.918 284 HA VAL 32 HA VAL 32 0.284 -6.717 6.033 285 HB VAL 32 HB VAL 32 -0.307 -6.219 3.105 286 HG11 VAL 32 1HG1 VAL 32 -2.169 -6.821 5.414 287 HG12 VAL 32 2HG1 VAL 32 -1.804 -7.892 4.060 288 HG13 VAL 32 3HG1 VAL 32 -2.672 -6.383 3.781 289 HG21 VAL 32 3HG2 VAL 32 -1.461 -4.201 3.875 290 HG22 VAL 32 1HG2 VAL 32 0.247 -4.158 4.307 291 HG23 VAL 32 2HG2 VAL 32 -0.963 -4.538 5.532 292 H LYS 33 H LYS 33 0.144 -8.812 6.455 293 HA LYS 33 HA LYS 33 1.167 -10.747 4.481 294 HB2 LYS 33 3HB LYS 33 1.831 -12.093 6.296 295 HB3 LYS 33 2HB LYS 33 0.731 -11.288 7.412 296 HG2 LYS 33 3HG LYS 33 2.161 -9.190 6.987 297 HG3 LYS 33 2HG LYS 33 3.349 -10.303 6.309 298 HD2 LYS 33 3HD LYS 33 3.660 -11.401 8.360 299 HD3 LYS 33 2HD LYS 33 2.188 -10.713 9.053 300 HE2 LYS 33 3HE LYS 33 4.723 -9.214 8.375 301 HE3 LYS 33 2HE LYS 33 4.139 -9.611 9.991 302 HZ1 LYS 33 3HZ LYS 33 3.561 -7.372 9.557 303 HZ2 LYS 33 1HZ LYS 33 2.129 -8.262 9.458 304 HZ3 LYS 33 2HZ LYS 33 2.905 -7.741 8.047 305 H THR 34 H THR 34 -1.558 -10.017 6.584 306 HA THR 34 HA THR 34 -3.151 -12.123 5.251 307 HB THR 34 HB THR 34 -4.400 -12.471 7.345 308 HG1 THR 34 HG1 THR 34 -2.413 -10.852 8.605 309 HG21 THR 34 3HG2 THR 34 -1.411 -12.799 7.673 310 HG22 THR 34 1HG2 THR 34 -2.503 -13.941 6.886 311 HG23 THR 34 2HG2 THR 34 -2.643 -13.636 8.618 312 H GLU 35 H GLU 35 -5.485 -11.762 5.304 313 HA GLU 35 HA GLU 35 -6.361 -9.335 4.287 314 HB2 GLU 35 3HB GLU 35 -7.963 -11.440 5.776 315 HB3 GLU 35 2HB GLU 35 -7.578 -11.462 4.064 316 HG2 GLU 35 3HG GLU 35 -9.177 -9.232 5.277 317 HG3 GLU 35 2HG GLU 35 -9.926 -10.733 4.746 318 H ASP 36 H ASP 36 -6.555 -10.499 7.645 319 HA ASP 36 HA ASP 36 -8.100 -8.418 8.702 320 HB2 ASP 36 3HB ASP 36 -5.996 -10.074 10.113 321 HB3 ASP 36 2HB ASP 36 -7.678 -10.539 9.876 322 H GLU 37 H GLU 37 -4.559 -8.688 8.415 323 HA GLU 37 HA GLU 37 -3.895 -6.368 9.864 324 HB2 GLU 37 3HB GLU 37 -1.739 -6.458 8.567 325 HB3 GLU 37 2HB GLU 37 -2.432 -7.775 7.627 326 HG2 GLU 37 3HG GLU 37 -2.716 -9.056 9.745 327 HG3 GLU 37 2HG GLU 37 -1.858 -7.763 10.586 328 H LEU 38 H LEU 38 -4.476 -6.803 6.376 329 HA LEU 38 HA LEU 38 -3.941 -4.243 5.465 330 HB2 LEU 38 3HB LEU 38 -6.314 -5.859 4.526 331 HB3 LEU 38 2HB LEU 38 -4.672 -6.350 4.174 332 HG LEU 38 HG LEU 38 -5.528 -5.251 2.238 333 HD11 LEU 38 1HD1 LEU 38 -7.360 -4.015 3.269 334 HD12 LEU 38 2HD1 LEU 38 -6.390 -2.988 2.216 335 HD13 LEU 38 3HD1 LEU 38 -6.207 -2.879 3.966 336 HD21 LEU 38 3HD2 LEU 38 -3.973 -3.357 1.984 337 HD22 LEU 38 1HD2 LEU 38 -3.206 -4.768 2.715 338 HD23 LEU 38 2HD2 LEU 38 -3.667 -3.394 3.720 339 H LYS 39 H LYS 39 -7.042 -5.488 6.729 340 HA LYS 39 HA LYS 39 -8.425 -3.031 6.801 341 HB2 LYS 39 3HB LYS 39 -8.752 -5.427 8.630 342 HB3 LYS 39 2HB LYS 39 -9.515 -5.245 7.058 343 HG2 LYS 39 3HG LYS 39 -10.915 -3.506 7.811 344 HG3 LYS 39 2HG LYS 39 -9.970 -3.273 9.284 345 HD2 LYS 39 3HD LYS 39 -11.537 -5.777 8.642 346 HD3 LYS 39 2HD LYS 39 -12.133 -4.458 9.652 347 HE2 LYS 39 3HE LYS 39 -10.251 -4.800 11.201 348 HE3 LYS 39 2HE LYS 39 -9.676 -6.133 10.200 349 HZ1 LYS 39 3HZ LYS 39 -11.649 -7.365 10.683 350 HZ2 LYS 39 1HZ LYS 39 -12.327 -6.065 11.523 351 HZ3 LYS 39 2HZ LYS 39 -10.968 -6.858 12.142 352 H LYS 40 H LYS 40 -6.504 -4.694 9.269 353 HA LYS 40 HA LYS 40 -7.016 -3.144 11.495 354 HB2 LYS 40 3HB LYS 40 -4.373 -4.433 10.767 355 HB3 LYS 40 2HB LYS 40 -5.751 -5.287 11.443 356 HG2 LYS 40 3HG LYS 40 -5.592 -4.018 13.495 357 HG3 LYS 40 2HG LYS 40 -4.284 -3.042 12.823 358 HD2 LYS 40 3HD LYS 40 -2.805 -4.919 12.752 359 HD3 LYS 40 2HD LYS 40 -4.114 -6.042 13.137 360 HE2 LYS 40 3HE LYS 40 -3.033 -3.899 14.970 361 HE3 LYS 40 2HE LYS 40 -2.685 -5.624 15.082 362 HZ1 LYS 40 3HZ LYS 40 -4.395 -5.032 16.639 363 HZ2 LYS 40 1HZ LYS 40 -5.064 -6.017 15.436 364 HZ3 LYS 40 2HZ LYS 40 -5.344 -4.350 15.416 365 H TYR 41 H TYR 41 -4.464 -2.651 9.061 366 HA TYR 41 HA TYR 41 -3.389 -0.301 10.251 367 HB2 TYR 41 3HB TYR 41 -2.201 0.010 8.135 368 HB3 TYR 41 2HB TYR 41 -3.253 -1.159 7.344 369 HD1 TYR 41 HD1 TYR 41 -1.579 -1.403 10.681 370 HD2 TYR 41 HD2 TYR 41 -1.812 -2.878 6.689 371 HE1 TYR 41 HE1 TYR 41 -0.015 -3.214 11.256 372 HE2 TYR 41 HE2 TYR 41 -0.255 -4.686 7.262 373 HH TYR 41 HH TYR 41 0.492 -5.561 10.372 374 H LEU 42 H LEU 42 -5.813 -0.855 7.718 375 HA LEU 42 HA LEU 42 -6.246 1.832 7.003 376 HB2 LEU 42 3HB LEU 42 -8.509 0.986 6.233 377 HB3 LEU 42 2HB LEU 42 -8.057 -0.576 6.886 378 HG LEU 42 HG LEU 42 -6.207 -0.743 5.308 379 HD11 LEU 42 1HD1 LEU 42 -8.806 0.016 3.975 380 HD12 LEU 42 2HD1 LEU 42 -8.376 -1.576 4.602 381 HD13 LEU 42 3HD1 LEU 42 -7.499 -0.904 3.229 382 HD21 LEU 42 3HD2 LEU 42 -5.928 0.947 3.524 383 HD22 LEU 42 1HD2 LEU 42 -5.576 1.589 5.129 384 HD23 LEU 42 2HD2 LEU 42 -7.106 1.976 4.341 385 H GLU 43 H GLU 43 -7.734 -0.140 9.553 386 HA GLU 43 HA GLU 43 -9.743 1.624 10.364 387 HB2 GLU 43 3HB GLU 43 -9.628 0.486 12.564 388 HB3 GLU 43 2HB GLU 43 -8.121 -0.279 12.078 389 HG2 GLU 43 3HG GLU 43 -9.291 -1.444 10.270 390 HG3 GLU 43 2HG GLU 43 -10.800 -0.674 10.751 391 H GLU 44 H GLU 44 -6.319 1.512 11.230 392 HA GLU 44 HA GLU 44 -6.276 3.668 13.047 393 HB2 GLU 44 3HB GLU 44 -4.159 2.703 11.100 394 HB3 GLU 44 2HB GLU 44 -4.362 2.174 12.764 395 HG2 GLU 44 3HG GLU 44 -3.856 5.064 12.162 396 HG3 GLU 44 2HG GLU 44 -2.523 3.912 12.167 397 H PHE 45 H PHE 45 -5.684 3.579 9.543 398 HA PHE 45 HA PHE 45 -5.133 6.305 9.204 399 HB2 PHE 45 3HB PHE 45 -5.458 5.893 6.804 400 HB3 PHE 45 2HB PHE 45 -6.242 4.360 7.166 401 HD1 PHE 45 HD1 PHE 45 -4.749 2.921 6.001 402 HD2 PHE 45 HD2 PHE 45 -3.238 5.656 8.899 403 HE1 PHE 45 HE1 PHE 45 -2.573 1.776 5.943 404 HE2 PHE 45 HE2 PHE 45 -1.060 4.516 8.838 405 HZ PHE 45 HZ PHE 45 -0.724 2.574 7.360 406 H ARG 46 H ARG 46 -8.209 4.664 9.437 407 HA ARG 46 HA ARG 46 -9.913 6.561 8.278 408 HB2 ARG 46 3HB ARG 46 -11.642 5.685 9.892 409 HB3 ARG 46 2HB ARG 46 -10.366 4.748 10.662 410 HG2 ARG 46 3HG ARG 46 -9.956 3.606 8.501 411 HG3 ARG 46 2HG ARG 46 -11.320 4.487 7.814 412 HD2 ARG 46 3HD ARG 46 -11.458 2.567 10.141 413 HD3 ARG 46 2HD ARG 46 -11.950 2.220 8.484 414 HE ARG 46 HE ARG 46 -13.358 4.468 9.350 415 HH11 ARG 46 1HH1 ARG 46 -13.168 1.085 9.967 416 HH12 ARG 46 2HH1 ARG 46 -14.805 0.969 10.504 417 HH21 ARG 46 2HH2 ARG 46 -16.103 2.795 10.538 418 HH22 ARG 46 1HH2 ARG 46 -15.465 4.318 10.028 419 H LYS 47 H LYS 47 -8.303 6.561 11.389 420 HA LYS 47 HA LYS 47 -9.624 8.768 12.569 421 HB2 LYS 47 3HB LYS 47 -7.536 8.931 13.947 422 HB3 LYS 47 2HB LYS 47 -6.805 7.716 12.908 423 HG2 LYS 47 3HG LYS 47 -8.879 6.283 13.589 424 HG3 LYS 47 2HG LYS 47 -8.977 7.417 14.937 425 HD2 LYS 47 3HD LYS 47 -6.761 5.502 14.253 426 HD3 LYS 47 2HD LYS 47 -7.690 5.614 15.740 427 HE2 LYS 47 3HE LYS 47 -5.762 6.609 16.448 428 HE3 LYS 47 2HE LYS 47 -6.595 8.031 15.827 429 HZ1 LYS 47 3HZ LYS 47 -5.375 7.765 13.730 430 HZ2 LYS 47 1HZ LYS 47 -4.558 6.429 14.375 431 HZ3 LYS 47 2HZ LYS 47 -4.328 7.969 15.041 432 H GLU 48 H GLU 48 -6.689 8.526 10.593 433 HA GLU 48 HA GLU 48 -6.350 11.416 10.483 434 HB2 GLU 48 3HB GLU 48 -4.343 10.787 9.059 435 HB3 GLU 48 2HB GLU 48 -4.754 9.107 9.356 436 HG2 GLU 48 3HG GLU 48 -3.992 11.152 11.437 437 HG3 GLU 48 2HG GLU 48 -2.975 9.848 10.835 438 H SER 49 H SER 49 -8.554 9.699 9.031 439 HA SER 49 HA SER 49 -8.183 9.733 6.275 440 HB2 SER 49 3HB SER 49 -10.794 10.068 7.770 441 HB3 SER 49 2HB SER 49 -10.029 8.535 7.352 442 HG SER 49 HG SER 49 -10.685 10.429 5.358 443 H GLN 50 H GLN 50 -8.480 12.424 8.278 444 HA GLN 50 HA GLN 50 -9.899 14.260 6.707 445 HB2 GLN 50 3HB GLN 50 -8.743 15.983 8.033 446 HB3 GLN 50 2HB GLN 50 -7.598 14.777 8.607 447 HG2 GLN 50 3HG GLN 50 -9.496 13.554 9.650 448 HG3 GLN 50 2HG GLN 50 -10.556 14.880 9.174 449 HE21 GLN 50 2HE2 GLN 50 -9.954 16.153 12.360 450 HE22 GLN 50 1HE2 GLN 50 -11.073 15.388 11.289 451 H ASN 51 H ASN 51 -6.428 13.426 6.684 452 HA ASN 51 HA ASN 51 -6.118 14.897 4.146 453 HB2 ASN 51 3HB ASN 51 -4.083 15.999 4.898 454 HB3 ASN 51 2HB ASN 51 -4.194 15.210 6.467 455 HD21 ASN 51 2HD2 ASN 51 -6.447 17.485 7.810 456 HD22 ASN 51 1HD2 ASN 51 -5.608 15.986 7.992 457 H ILE 52 H ILE 52 -6.186 12.008 4.668 458 HA ILE 52 HA ILE 52 -3.347 11.288 4.254 459 HB ILE 52 HB ILE 52 -4.445 10.402 6.338 460 HG12 ILE 52 3HG1 ILE 52 -2.445 9.334 5.325 461 HG13 ILE 52 2HG1 ILE 52 -3.496 8.303 4.358 462 HG21 ILE 52 1HG2 ILE 52 -5.981 8.662 4.401 463 HG22 ILE 52 2HG2 ILE 52 -6.662 9.982 5.348 464 HG23 ILE 52 3HG2 ILE 52 -6.015 8.560 6.164 465 HD11 ILE 52 3HD1 ILE 52 -3.316 8.323 7.361 466 HD12 ILE 52 1HD1 ILE 52 -2.634 7.111 6.276 467 HD13 ILE 52 2HD1 ILE 52 -4.383 7.298 6.399 468 H LYS 53 H LYS 53 -2.760 9.796 2.701 469 HA LYS 53 HA LYS 53 -4.858 8.517 1.077 470 HB2 LYS 53 3HB LYS 53 -3.697 8.905 -0.978 471 HB3 LYS 53 2HB LYS 53 -2.282 9.535 -0.148 472 HG2 LYS 53 3HG LYS 53 -3.466 11.534 0.478 473 HG3 LYS 53 2HG LYS 53 -4.971 10.899 -0.197 474 HD2 LYS 53 3HD LYS 53 -2.468 11.417 -1.814 475 HD3 LYS 53 2HD LYS 53 -3.801 12.561 -1.660 476 HE2 LYS 53 3HE LYS 53 -4.069 9.767 -2.772 477 HE3 LYS 53 2HE LYS 53 -3.886 11.222 -3.748 478 HZ1 LYS 53 3HZ LYS 53 -5.950 12.068 -2.813 479 HZ2 LYS 53 1HZ LYS 53 -6.133 10.669 -1.883 480 HZ3 LYS 53 2HZ LYS 53 -6.200 10.582 -3.570 481 H VAL 54 H VAL 54 -4.448 6.347 0.683 482 HA VAL 54 HA VAL 54 -1.909 5.289 1.774 483 HB VAL 54 HB VAL 54 -4.544 3.819 1.539 484 HG11 VAL 54 1HG1 VAL 54 -2.002 3.068 2.987 485 HG12 VAL 54 2HG1 VAL 54 -2.578 2.356 1.479 486 HG13 VAL 54 3HG1 VAL 54 -3.502 2.138 2.966 487 HG21 VAL 54 3HG2 VAL 54 -4.705 4.067 3.986 488 HG22 VAL 54 1HG2 VAL 54 -4.756 5.624 3.158 489 HG23 VAL 54 2HG2 VAL 54 -3.277 5.102 3.965 490 H LEU 55 H LEU 55 -0.591 4.157 0.481 491 HA LEU 55 HA LEU 55 -1.488 3.458 -2.237 492 HB2 LEU 55 3HB LEU 55 1.283 3.778 -1.069 493 HB3 LEU 55 2HB LEU 55 0.456 4.924 -2.108 494 HG LEU 55 HG LEU 55 1.268 2.137 -2.958 495 HD11 LEU 55 1HD1 LEU 55 -0.619 3.020 -4.221 496 HD12 LEU 55 2HD1 LEU 55 0.831 2.951 -5.224 497 HD13 LEU 55 3HD1 LEU 55 0.285 4.496 -4.567 498 HD21 LEU 55 3HD2 LEU 55 3.056 3.250 -4.232 499 HD22 LEU 55 1HD2 LEU 55 3.251 3.446 -2.490 500 HD23 LEU 55 2HD2 LEU 55 2.633 4.780 -3.465 501 H ILE 56 H ILE 56 -2.087 1.378 -2.498 502 HA ILE 56 HA ILE 56 -0.774 -0.697 -0.853 503 HB ILE 56 HB ILE 56 -3.499 -0.826 -2.165 504 HG12 ILE 56 3HG1 ILE 56 -3.426 0.787 -0.283 505 HG13 ILE 56 2HG1 ILE 56 -2.774 -0.469 0.764 506 HG21 ILE 56 1HG2 ILE 56 -2.086 -2.731 -0.292 507 HG22 ILE 56 2HG2 ILE 56 -2.494 -3.019 -1.984 508 HG23 ILE 56 3HG2 ILE 56 -3.774 -2.868 -0.782 509 HD11 ILE 56 3HD1 ILE 56 -5.159 -0.104 1.127 510 HD12 ILE 56 1HD1 ILE 56 -4.824 -1.742 0.563 511 HD13 ILE 56 2HD1 ILE 56 -5.479 -0.540 -0.552 512 H LEU 57 H LEU 57 0.526 -2.079 -1.879 513 HA LEU 57 HA LEU 57 0.183 -2.476 -4.793 514 HB2 LEU 57 3HB LEU 57 2.589 -3.172 -4.798 515 HB3 LEU 57 2HB LEU 57 2.688 -2.714 -3.111 516 HG LEU 57 HG LEU 57 3.638 -1.054 -4.748 517 HD11 LEU 57 1HD1 LEU 57 0.740 -0.615 -5.459 518 HD12 LEU 57 2HD1 LEU 57 1.988 -1.277 -6.515 519 HD13 LEU 57 3HD1 LEU 57 2.094 0.395 -5.967 520 HD21 LEU 57 3HD2 LEU 57 3.038 -0.389 -2.481 521 HD22 LEU 57 1HD2 LEU 57 1.384 -0.062 -3.002 522 HD23 LEU 57 2HD2 LEU 57 2.715 0.911 -3.629 523 H VAL 58 H VAL 58 -0.690 -4.385 -5.292 524 HA VAL 58 HA VAL 58 -0.175 -6.705 -3.527 525 HB VAL 58 HB VAL 58 -2.281 -7.657 -4.319 526 HG11 VAL 58 1HG1 VAL 58 -3.844 -6.073 -3.268 527 HG12 VAL 58 2HG1 VAL 58 -2.600 -4.821 -3.324 528 HG13 VAL 58 3HG1 VAL 58 -2.362 -6.259 -2.328 529 HG21 VAL 58 3HG2 VAL 58 -2.554 -5.111 -5.927 530 HG22 VAL 58 1HG2 VAL 58 -3.826 -6.312 -5.704 531 HG23 VAL 58 2HG2 VAL 58 -2.351 -6.743 -6.566 532 H SER 59 H SER 59 0.320 -8.727 -4.458 533 HA SER 59 HA SER 59 1.509 -8.615 -7.112 534 HB2 SER 59 3HB SER 59 1.423 -10.849 -5.064 535 HB3 SER 59 2HB SER 59 2.764 -9.746 -5.368 536 HG SER 59 HG SER 59 2.623 -12.011 -6.406 537 H ASN 60 H ASN 60 -1.383 -9.923 -5.642 538 HA ASN 60 HA ASN 60 -2.011 -11.385 -8.136 539 HB2 ASN 60 3HB ASN 60 -3.489 -12.807 -6.763 540 HB3 ASN 60 2HB ASN 60 -3.023 -11.894 -5.331 541 HD21 ASN 60 2HD2 ASN 60 -0.689 -14.413 -4.834 542 HD22 ASN 60 1HD2 ASN 60 -2.180 -13.709 -4.339 543 H ASP 61 H ASP 61 -4.138 -11.339 -8.965 544 HA ASP 61 HA ASP 61 -5.362 -8.777 -8.857 545 HB2 ASP 61 3HB ASP 61 -5.460 -9.901 -10.928 546 HB3 ASP 61 2HB ASP 61 -7.118 -9.867 -10.338 547 H GLU 62 H GLU 62 -6.273 -11.886 -7.369 548 HA GLU 62 HA GLU 62 -8.757 -11.042 -6.327 549 HB2 GLU 62 3HB GLU 62 -8.335 -12.795 -4.534 550 HB3 GLU 62 2HB GLU 62 -6.774 -13.080 -5.295 551 HG2 GLU 62 3HG GLU 62 -7.840 -13.783 -7.337 552 HG3 GLU 62 2HG GLU 62 -9.428 -13.350 -6.702 553 H GLU 63 H GLU 63 -5.508 -10.954 -4.839 554 HA GLU 63 HA GLU 63 -6.143 -9.546 -2.534 555 HB2 GLU 63 3HB GLU 63 -3.715 -8.595 -2.865 556 HB3 GLU 63 2HB GLU 63 -3.662 -9.719 -4.210 557 HG2 GLU 63 3HG GLU 63 -4.460 -10.654 -1.482 558 HG3 GLU 63 2HG GLU 63 -2.767 -10.436 -1.897 559 H LEU 64 H LEU 64 -5.709 -8.329 -5.812 560 HA LEU 64 HA LEU 64 -5.667 -5.570 -5.301 561 HB2 LEU 64 3HB LEU 64 -6.968 -6.978 -7.643 562 HB3 LEU 64 2HB LEU 64 -5.248 -6.677 -7.505 563 HG LEU 64 HG LEU 64 -7.375 -4.529 -7.652 564 HD11 LEU 64 1HD1 LEU 64 -5.396 -3.830 -6.402 565 HD12 LEU 64 2HD1 LEU 64 -5.505 -2.993 -7.950 566 HD13 LEU 64 3HD1 LEU 64 -4.364 -4.325 -7.743 567 HD21 LEU 64 3HD2 LEU 64 -6.539 -4.122 -9.910 568 HD22 LEU 64 1HD2 LEU 64 -7.172 -5.760 -9.757 569 HD23 LEU 64 2HD2 LEU 64 -5.429 -5.485 -9.757 570 H ASP 65 H ASP 65 -8.450 -7.727 -5.890 571 HA ASP 65 HA ASP 65 -10.453 -5.787 -5.433 572 HB2 ASP 65 3HB ASP 65 -11.807 -7.985 -4.816 573 HB3 ASP 65 2HB ASP 65 -10.387 -8.778 -5.486 574 H LYS 66 H LYS 66 -9.105 -8.262 -3.234 575 HA LYS 66 HA LYS 66 -10.703 -7.689 -1.023 576 HB2 LYS 66 3HB LYS 66 -8.938 -8.799 0.329 577 HB3 LYS 66 2HB LYS 66 -7.866 -8.745 -1.065 578 HG2 LYS 66 3HG LYS 66 -8.960 -10.956 -0.684 579 HG3 LYS 66 2HG LYS 66 -9.232 -10.270 -2.287 580 HD2 LYS 66 3HD LYS 66 -11.279 -11.257 -1.330 581 HD3 LYS 66 2HD LYS 66 -11.451 -9.527 -1.637 582 HE2 LYS 66 3HE LYS 66 -10.886 -9.152 0.787 583 HE3 LYS 66 2HE LYS 66 -11.027 -10.896 1.013 584 HZ1 LYS 66 3HZ LYS 66 -13.303 -10.803 0.321 585 HZ2 LYS 66 1HZ LYS 66 -13.179 -9.157 -0.051 586 HZ3 LYS 66 2HZ LYS 66 -13.067 -9.674 1.555 587 H ALA 67 H ALA 67 -7.452 -6.443 -1.759 588 HA ALA 67 HA ALA 67 -7.147 -4.831 0.502 589 HB1 ALA 67 3HB ALA 67 -6.001 -4.437 -2.261 590 HB2 ALA 67 1HB ALA 67 -5.292 -5.397 -0.961 591 HB3 ALA 67 2HB ALA 67 -5.430 -3.646 -0.791 592 H LYS 68 H LYS 68 -8.521 -3.988 -2.703 593 HA LYS 68 HA LYS 68 -8.996 -1.273 -1.883 594 HB2 LYS 68 3HB LYS 68 -8.595 -2.050 -4.280 595 HB3 LYS 68 2HB LYS 68 -9.835 -0.839 -4.013 596 HG2 LYS 68 3HG LYS 68 -11.566 -2.579 -4.195 597 HG3 LYS 68 2HG LYS 68 -10.305 -3.776 -4.513 598 HD2 LYS 68 3HD LYS 68 -9.682 -2.701 -6.554 599 HD3 LYS 68 2HD LYS 68 -10.680 -1.292 -6.192 600 HE2 LYS 68 3HE LYS 68 -11.740 -2.698 -7.879 601 HE3 LYS 68 2HE LYS 68 -12.701 -2.650 -6.402 602 HZ1 LYS 68 3HZ LYS 68 -12.520 -4.881 -7.352 603 HZ2 LYS 68 1HZ LYS 68 -11.875 -4.798 -5.794 604 HZ3 LYS 68 2HZ LYS 68 -10.847 -4.841 -7.138 605 H GLU 69 H GLU 69 -10.801 -4.236 -1.659 606 HA GLU 69 HA GLU 69 -13.388 -3.160 -1.295 607 HB2 GLU 69 3HB GLU 69 -13.648 -5.237 0.289 608 HB3 GLU 69 2HB GLU 69 -12.063 -5.683 -0.323 609 HG2 GLU 69 3HG GLU 69 -12.876 -5.894 -2.537 610 HG3 GLU 69 2HG GLU 69 -14.418 -5.148 -2.112 611 H LEU 70 H LEU 70 -11.088 -4.214 1.249 612 HA LEU 70 HA LEU 70 -12.535 -3.422 3.453 613 HB2 LEU 70 3HB LEU 70 -10.322 -3.243 4.635 614 HB3 LEU 70 2HB LEU 70 -9.537 -3.420 3.074 615 HG LEU 70 HG LEU 70 -10.598 -5.666 2.833 616 HD11 LEU 70 1HD1 LEU 70 -9.181 -6.823 4.436 617 HD12 LEU 70 2HD1 LEU 70 -8.968 -5.330 5.352 618 HD13 LEU 70 3HD1 LEU 70 -8.326 -5.458 3.715 619 HD21 LEU 70 3HD2 LEU 70 -12.556 -5.322 4.240 620 HD22 LEU 70 1HD2 LEU 70 -11.531 -5.181 5.668 621 HD23 LEU 70 2HD2 LEU 70 -11.629 -6.713 4.800 622 H ALA 71 H ALA 71 -10.262 -1.440 1.585 623 HA ALA 71 HA ALA 71 -10.427 0.905 3.130 624 HB1 ALA 71 3HB ALA 71 -9.569 2.055 1.147 625 HB2 ALA 71 1HB ALA 71 -9.926 0.632 0.164 626 HB3 ALA 71 2HB ALA 71 -8.705 0.544 1.435 627 H GLN 72 H GLN 72 -12.158 0.105 0.093 628 HA GLN 72 HA GLN 72 -13.776 2.417 0.109 629 HB2 GLN 72 3HB GLN 72 -15.142 1.158 -1.601 630 HB3 GLN 72 2HB GLN 72 -14.094 -0.228 -1.317 631 HG2 GLN 72 3HG GLN 72 -12.154 1.107 -2.008 632 HG3 GLN 72 2HG GLN 72 -13.213 2.483 -2.306 633 HE21 GLN 72 2HE2 GLN 72 -12.473 0.556 -5.442 634 HE22 GLN 72 1HE2 GLN 72 -11.468 1.109 -4.152 635 H LYS 73 H LYS 73 -14.204 -0.686 1.667 636 HA LYS 73 HA LYS 73 -16.963 -0.449 2.278 637 HB2 LYS 73 3HB LYS 73 -16.526 -2.087 4.072 638 HB3 LYS 73 2HB LYS 73 -14.796 -1.861 3.862 639 HG2 LYS 73 3HG LYS 73 -15.481 -3.910 2.814 640 HG3 LYS 73 2HG LYS 73 -14.971 -2.761 1.581 641 HD2 LYS 73 3HD LYS 73 -17.325 -2.217 1.118 642 HD3 LYS 73 2HD LYS 73 -17.823 -3.403 2.329 643 HE2 LYS 73 3HE LYS 73 -16.279 -3.967 -0.206 644 HE3 LYS 73 2HE LYS 73 -17.970 -4.360 0.094 645 HZ1 LYS 73 3HZ LYS 73 -15.673 -5.477 1.615 646 HZ2 LYS 73 1HZ LYS 73 -16.508 -6.278 0.379 647 HZ3 LYS 73 2HZ LYS 73 -17.301 -5.884 1.822 648 H MET 74 H MET 74 -14.024 0.712 3.844 649 HA MET 74 HA MET 74 -15.615 2.086 5.904 650 HB2 MET 74 3HB MET 74 -13.395 2.501 6.982 651 HB3 MET 74 2HB MET 74 -12.640 1.595 5.675 652 HG2 MET 74 3HG MET 74 -13.886 -0.398 6.311 653 HG3 MET 74 2HG MET 74 -14.693 0.500 7.594 654 HE1 MET 74 3HE MET 74 -11.361 -1.123 6.354 655 HE2 MET 74 1HE MET 74 -10.206 -0.567 7.563 656 HE3 MET 74 2HE MET 74 -10.914 0.581 6.425 657 H GLU 75 H GLU 75 -14.965 2.834 2.910 658 HA GLU 75 HA GLU 75 -15.115 4.772 1.740 659 HB2 GLU 75 3HB GLU 75 -15.631 6.891 3.021 660 HB3 GLU 75 2HB GLU 75 -15.498 5.942 4.499 661 HG2 GLU 75 3HG GLU 75 -17.338 4.521 3.779 662 HG3 GLU 75 2HG GLU 75 -17.455 5.410 2.262 663 H ILE 76 H ILE 76 -12.457 3.822 2.825 664 HA ILE 76 HA ILE 76 -10.921 6.265 3.147 665 HB ILE 76 HB ILE 76 -9.900 3.430 2.873 666 HG12 ILE 76 3HG1 ILE 76 -11.469 3.674 4.773 667 HG13 ILE 76 2HG1 ILE 76 -10.509 5.018 5.386 668 HG21 ILE 76 1HG2 ILE 76 -7.884 4.298 3.963 669 HG22 ILE 76 2HG2 ILE 76 -8.587 5.915 3.991 670 HG23 ILE 76 3HG2 ILE 76 -8.204 5.147 2.449 671 HD11 ILE 76 3HD1 ILE 76 -10.062 2.944 6.577 672 HD12 ILE 76 1HD1 ILE 76 -8.626 3.546 5.751 673 HD13 ILE 76 2HD1 ILE 76 -9.533 2.193 5.071 674 H ASP 77 H ASP 77 -9.882 7.337 1.593 675 HA ASP 77 HA ASP 77 -10.048 6.512 -1.168 676 HB2 ASP 77 3HB ASP 77 -8.874 8.950 0.195 677 HB3 ASP 77 2HB ASP 77 -10.433 8.832 -0.613 678 H VAL 78 H VAL 78 -8.630 5.008 -1.930 679 HA VAL 78 HA VAL 78 -5.795 5.181 -1.100 680 HB VAL 78 HB VAL 78 -5.650 2.762 -0.886 681 HG11 VAL 78 1HG1 VAL 78 -6.252 4.090 1.098 682 HG12 VAL 78 2HG1 VAL 78 -6.930 2.463 1.160 683 HG13 VAL 78 3HG1 VAL 78 -7.961 3.834 0.743 684 HG21 VAL 78 3HG2 VAL 78 -8.618 2.734 -1.475 685 HG22 VAL 78 1HG2 VAL 78 -7.663 1.344 -0.958 686 HG23 VAL 78 2HG2 VAL 78 -7.341 2.104 -2.514 687 H ARG 79 H ARG 79 -4.231 4.509 -2.547 688 HA ARG 79 HA ARG 79 -4.997 3.999 -5.332 689 HB2 ARG 79 3HB ARG 79 -2.356 3.942 -5.520 690 HB3 ARG 79 2HB ARG 79 -2.420 4.724 -3.954 691 HG2 ARG 79 3HG ARG 79 -3.639 5.793 -6.493 692 HG3 ARG 79 2HG ARG 79 -2.124 6.323 -5.768 693 HD2 ARG 79 3HD ARG 79 -3.527 7.942 -4.980 694 HD3 ARG 79 2HD ARG 79 -3.648 6.765 -3.671 695 HE ARG 79 HE ARG 79 -5.623 6.409 -5.728 696 HH11 ARG 79 1HH1 ARG 79 -4.869 7.980 -2.773 697 HH12 ARG 79 2HH1 ARG 79 -6.520 8.347 -2.418 698 HH21 ARG 79 2HH2 ARG 79 -8.130 7.742 -3.846 699 HH22 ARG 79 1HH2 ARG 79 -7.725 6.868 -5.285 700 H THR 80 H THR 80 -5.800 1.807 -5.105 701 HA THR 80 HA THR 80 -3.895 -0.211 -4.159 702 HB THR 80 HB THR 80 -6.697 -0.726 -5.191 703 HG1 THR 80 HG1 THR 80 -6.350 -0.802 -2.468 704 HG21 THR 80 3HG2 THR 80 -4.934 -2.325 -3.324 705 HG22 THR 80 1HG2 THR 80 -5.177 -2.676 -5.035 706 HG23 THR 80 2HG2 THR 80 -6.532 -2.785 -3.912 707 H ARG 81 H ARG 81 -2.391 -0.785 -5.623 708 HA ARG 81 HA ARG 81 -3.225 -1.237 -8.428 709 HB2 ARG 81 3HB ARG 81 -0.923 -0.604 -9.085 710 HB3 ARG 81 2HB ARG 81 -0.545 -0.266 -7.404 711 HG2 ARG 81 3HG ARG 81 -0.932 1.817 -8.435 712 HG3 ARG 81 2HG ARG 81 -2.355 1.486 -7.448 713 HD2 ARG 81 3HD ARG 81 -2.204 0.919 -10.409 714 HD3 ARG 81 2HD ARG 81 -2.826 2.422 -9.731 715 HE ARG 81 HE ARG 81 -4.310 0.533 -8.493 716 HH11 ARG 81 1HH1 ARG 81 -3.590 1.140 -11.799 717 HH12 ARG 81 2HH1 ARG 81 -5.128 0.591 -12.355 718 HH21 ARG 81 2HH2 ARG 81 -6.647 -0.142 -10.906 719 HH22 ARG 81 1HH2 ARG 81 -6.298 -0.163 -9.210 720 H LYS 82 H LYS 82 -1.993 -2.865 -9.615 721 HA LYS 82 HA LYS 82 -1.052 -5.055 -7.870 722 HB2 LYS 82 3HB LYS 82 -2.104 -5.193 -10.708 723 HB3 LYS 82 2HB LYS 82 -3.036 -5.565 -9.264 724 HG2 LYS 82 3HG LYS 82 -1.692 -7.478 -8.787 725 HG3 LYS 82 2HG LYS 82 -0.525 -7.041 -10.036 726 HD2 LYS 82 3HD LYS 82 -3.408 -7.800 -10.536 727 HD3 LYS 82 2HD LYS 82 -2.019 -8.867 -10.753 728 HE2 LYS 82 3HE LYS 82 -1.104 -7.271 -12.420 729 HE3 LYS 82 2HE LYS 82 -2.570 -6.304 -12.254 730 HZ1 LYS 82 3HZ LYS 82 -2.644 -7.790 -14.172 731 HZ2 LYS 82 1HZ LYS 82 -3.866 -8.152 -13.060 732 HZ3 LYS 82 2HZ LYS 82 -2.487 -9.130 -13.157 733 H VAL 83 H VAL 83 1.066 -5.564 -7.929 734 HA VAL 83 HA VAL 83 2.688 -4.541 -10.172 735 HB VAL 83 HB VAL 83 4.602 -4.499 -8.677 736 HG11 VAL 83 1HG1 VAL 83 3.853 -2.711 -7.151 737 HG12 VAL 83 2HG1 VAL 83 2.178 -3.120 -7.519 738 HG13 VAL 83 3HG1 VAL 83 3.236 -2.506 -8.791 739 HG21 VAL 83 3HG2 VAL 83 2.701 -5.516 -6.554 740 HG22 VAL 83 1HG2 VAL 83 4.344 -4.941 -6.259 741 HG23 VAL 83 2HG2 VAL 83 4.077 -6.384 -7.237 742 H THR 84 H THR 84 4.362 -5.811 -11.032 743 HA THR 84 HA THR 84 4.216 -8.715 -10.449 744 HB THR 84 HB THR 84 4.956 -9.100 -12.773 745 HG1 THR 84 HG1 THR 84 5.173 -7.377 -14.192 746 HG21 THR 84 3HG2 THR 84 2.875 -8.419 -13.912 747 HG22 THR 84 1HG2 THR 84 2.498 -7.346 -12.565 748 HG23 THR 84 2HG2 THR 84 2.554 -9.092 -12.312 749 H SER 85 H SER 85 6.414 -6.309 -11.867 750 HA SER 85 HA SER 85 8.742 -7.695 -10.735 751 HB2 SER 85 3HB SER 85 10.076 -6.234 -12.202 752 HB3 SER 85 2HB SER 85 8.620 -5.357 -12.675 753 HG SER 85 HG SER 85 9.561 -7.820 -13.504 754 HA PRO 86 HA PRO 86 9.304 -4.987 -7.258 755 HB2 PRO 86 2HB PRO 86 12.069 -4.471 -7.665 756 HB3 PRO 86 3HB PRO 86 11.350 -5.696 -6.619 757 HG2 PRO 86 3HG PRO 86 12.393 -7.154 -8.051 758 HG3 PRO 86 2HG PRO 86 12.451 -5.964 -9.364 759 HD2 PRO 86 3HD PRO 86 10.222 -7.800 -8.564 760 HD3 PRO 86 2HD PRO 86 10.765 -7.322 -10.187 761 H ASP 87 H ASP 87 10.972 -3.897 -10.244 762 HA ASP 87 HA ASP 87 11.122 -1.179 -9.558 763 HB2 ASP 87 3HB ASP 87 11.263 -0.833 -12.101 764 HB3 ASP 87 2HB ASP 87 11.132 -2.585 -12.221 765 H GLU 88 H GLU 88 8.420 -3.007 -10.854 766 HA GLU 88 HA GLU 88 6.741 -0.889 -11.617 767 HB2 GLU 88 3HB GLU 88 4.861 -2.487 -10.881 768 HB3 GLU 88 2HB GLU 88 6.140 -3.605 -10.434 769 HG2 GLU 88 3HG GLU 88 5.485 -4.293 -12.562 770 HG3 GLU 88 2HG GLU 88 6.964 -3.373 -12.840 771 H ALA 89 H ALA 89 6.806 -2.586 -8.468 772 HA ALA 89 HA ALA 89 5.142 -0.826 -7.060 773 HB1 ALA 89 3HB ALA 89 7.409 -2.509 -5.973 774 HB2 ALA 89 1HB ALA 89 5.751 -3.055 -6.234 775 HB3 ALA 89 2HB ALA 89 6.090 -1.813 -5.029 776 H LYS 90 H LYS 90 8.670 -0.821 -7.438 777 HA LYS 90 HA LYS 90 9.331 1.327 -5.798 778 HB2 LYS 90 3HB LYS 90 11.311 1.600 -7.344 779 HB3 LYS 90 2HB LYS 90 10.576 0.396 -8.397 780 HG2 LYS 90 3HG LYS 90 10.578 -1.153 -6.368 781 HG3 LYS 90 2HG LYS 90 11.641 0.029 -5.606 782 HD2 LYS 90 3HD LYS 90 12.189 -1.427 -8.192 783 HD3 LYS 90 2HD LYS 90 12.911 -1.793 -6.633 784 HE2 LYS 90 3HE LYS 90 13.951 0.428 -6.590 785 HE3 LYS 90 2HE LYS 90 13.251 0.775 -8.174 786 HZ1 LYS 90 3HZ LYS 90 14.504 -1.067 -9.099 787 HZ2 LYS 90 1HZ LYS 90 15.160 -1.421 -7.577 788 HZ3 LYS 90 2HZ LYS 90 15.549 0.036 -8.348 789 H ARG 91 H ARG 91 8.341 1.376 -9.232 790 HA ARG 91 HA ARG 91 8.477 4.184 -9.528 791 HB2 ARG 91 3HB ARG 91 6.716 2.210 -11.007 792 HB3 ARG 91 2HB ARG 91 8.340 2.707 -11.480 793 HG2 ARG 91 3HG ARG 91 7.601 4.953 -11.892 794 HG3 ARG 91 2HG ARG 91 6.010 4.607 -11.216 795 HD2 ARG 91 3HD ARG 91 5.628 2.977 -13.040 796 HD3 ARG 91 2HD ARG 91 7.174 3.456 -13.748 797 HE ARG 91 HE ARG 91 5.757 5.790 -13.424 798 HH11 ARG 91 1HH1 ARG 91 5.239 2.816 -15.087 799 HH12 ARG 91 2HH1 ARG 91 4.336 3.566 -16.358 800 HH21 ARG 91 2HH2 ARG 91 3.954 5.761 -16.322 801 HH22 ARG 91 1HH2 ARG 91 4.593 6.739 -15.050 802 H TRP 92 H TRP 92 5.733 2.047 -8.672 803 HA TRP 92 HA TRP 92 3.735 3.981 -8.588 804 HB2 TRP 92 3HB TRP 92 2.636 2.433 -6.860 805 HB3 TRP 92 2HB TRP 92 4.068 1.419 -7.028 806 HD1 TRP 92 HD1 TRP 92 3.785 -0.451 -8.763 807 HE1 TRP 92 HE1 TRP 92 2.351 -0.818 -10.871 808 HE3 TRP 92 HE3 TRP 92 1.408 4.067 -8.915 809 HZ2 TRP 92 HZ2 TRP 92 0.467 0.626 -12.399 810 HZ3 TRP 92 HZ3 TRP 92 -0.190 4.498 -10.727 811 HH2 TRP 92 HH2 TRP 92 -0.652 2.815 -12.439 812 H ILE 93 H ILE 93 6.038 3.094 -6.045 813 HA ILE 93 HA ILE 93 5.044 4.841 -4.059 814 HB ILE 93 HB ILE 93 7.876 3.852 -4.482 815 HG12 ILE 93 3HG1 ILE 93 6.193 2.056 -4.198 816 HG13 ILE 93 2HG1 ILE 93 5.638 2.815 -2.710 817 HG21 ILE 93 1HG2 ILE 93 8.220 4.382 -2.105 818 HG22 ILE 93 2HG2 ILE 93 6.602 5.081 -2.025 819 HG23 ILE 93 3HG2 ILE 93 7.837 5.828 -3.038 820 HD11 ILE 93 3HD1 ILE 93 7.784 2.403 -1.670 821 HD12 ILE 93 1HD1 ILE 93 8.387 1.689 -3.166 822 HD13 ILE 93 2HD1 ILE 93 7.077 0.907 -2.281 823 H LYS 94 H LYS 94 7.333 5.333 -6.724 824 HA LYS 94 HA LYS 94 8.020 8.011 -6.086 825 HB2 LYS 94 3HB LYS 94 7.928 6.734 -8.837 826 HB3 LYS 94 2HB LYS 94 9.270 6.581 -7.710 827 HG2 LYS 94 3HG LYS 94 8.282 9.164 -8.926 828 HG3 LYS 94 2HG LYS 94 9.715 8.263 -9.428 829 HD2 LYS 94 3HD LYS 94 10.705 8.583 -7.211 830 HD3 LYS 94 2HD LYS 94 9.276 9.479 -6.694 831 HE2 LYS 94 3HE LYS 94 9.728 11.181 -8.407 832 HE3 LYS 94 2HE LYS 94 11.164 10.285 -8.906 833 HZ1 LYS 94 3HZ LYS 94 11.752 12.089 -7.429 834 HZ2 LYS 94 1HZ LYS 94 12.084 10.603 -6.691 835 HZ3 LYS 94 2HZ LYS 94 10.721 11.490 -6.229 836 H GLU 95 H GLU 95 5.675 6.777 -8.497 837 HA GLU 95 HA GLU 95 4.429 9.066 -9.335 838 HB2 GLU 95 3HB GLU 95 2.451 7.727 -9.769 839 HB3 GLU 95 2HB GLU 95 2.937 6.537 -8.575 840 HG2 GLU 95 3HG GLU 95 3.347 5.579 -10.686 841 HG3 GLU 95 2HG GLU 95 4.917 6.016 -10.019 842 H PHE 96 H PHE 96 3.551 7.139 -6.498 843 HA PHE 96 HA PHE 96 1.415 8.740 -5.604 844 HB2 PHE 96 3HB PHE 96 3.155 6.837 -4.019 845 HB3 PHE 96 2HB PHE 96 1.792 6.357 -5.021 846 HD1 PHE 96 HD1 PHE 96 2.813 7.272 -1.770 847 HD2 PHE 96 HD2 PHE 96 -0.500 7.423 -4.444 848 HE1 PHE 96 HE1 PHE 96 1.286 7.527 0.138 849 HE2 PHE 96 HE2 PHE 96 -2.030 7.685 -2.536 850 HZ PHE 96 HZ PHE 96 -1.136 7.733 -0.245 851 H SER 97 H SER 97 4.844 8.672 -4.627 852 HA SER 97 HA SER 97 4.568 10.613 -2.562 853 HB2 SER 97 3HB SER 97 6.485 9.064 -2.634 854 HB3 SER 97 2HB SER 97 7.019 10.743 -2.569 855 HG SER 97 HG SER 97 7.061 8.947 -4.742 856 H GLU 98 H GLU 98 4.992 10.876 -6.024 857 HA GLU 98 HA GLU 98 5.711 13.662 -5.975 858 HB2 GLU 98 3HB GLU 98 5.134 13.552 -8.452 859 HB3 GLU 98 2HB GLU 98 4.778 11.847 -8.203 860 HG2 GLU 98 3HG GLU 98 7.046 11.396 -7.571 861 HG3 GLU 98 2HG GLU 98 7.440 13.114 -7.577 862 H GLU 99 H GLU 99 2.647 11.895 -6.579 863 HA GLU 99 HA GLU 99 1.123 14.209 -7.155 864 HB2 GLU 99 3HB GLU 99 0.348 11.924 -7.701 865 HB3 GLU 99 2HB GLU 99 -0.857 12.864 -6.838 866 HG2 GLU 99 3HG GLU 99 -0.141 11.684 -4.737 867 HG3 GLU 99 2HG GLU 99 0.847 10.634 -5.750 868 H GLY 100 H GLY 100 1.814 12.556 -4.100 869 HA2 GLY 100 3HA GLY 100 1.510 14.917 -2.560 870 HA3 GLY 100 2HA GLY 100 1.670 13.291 -1.928 871 H GLY 101 H GLY 101 -0.654 15.569 -3.286 872 HA2 GLY 101 3HA GLY 101 -2.709 15.768 -1.752 873 HA3 GLY 101 2HA GLY 101 -2.882 14.050 -2.081 874 H SER 102 H SER 102 -2.149 14.013 -4.768 875 HA SER 102 HA SER 102 -2.917 14.281 -6.886 876 HB2 SER 102 3HB SER 102 -5.377 15.529 -5.611 877 HB3 SER 102 2HB SER 102 -5.168 13.816 -5.975 878 HG SER 102 HG SER 102 -5.681 15.953 -7.681 879 H LEU 103 H LEU 103 -1.573 15.664 -7.855 880 HA LEU 103 HA LEU 103 -1.080 18.322 -7.108 881 HB2 LEU 103 3HB LEU 103 0.169 18.499 -9.203 882 HB3 LEU 103 2HB LEU 103 -0.600 17.042 -9.805 883 HG LEU 103 HG LEU 103 0.529 15.717 -8.065 884 HD11 LEU 103 1HD1 LEU 103 2.817 15.907 -8.922 885 HD12 LEU 103 2HD1 LEU 103 2.410 17.454 -9.666 886 HD13 LEU 103 3HD1 LEU 103 1.623 15.975 -10.218 887 HD21 LEU 103 3HD2 LEU 103 2.250 16.721 -6.650 888 HD22 LEU 103 1HD2 LEU 103 0.668 17.430 -6.327 889 HD23 LEU 103 2HD2 LEU 103 1.855 18.320 -7.283 890 H GLU 104 H GLU 104 -3.551 17.013 -9.151 891 HA GLU 104 HA GLU 104 -4.484 19.719 -9.814 892 HB2 GLU 104 3HB GLU 104 -3.304 19.060 -11.788 893 HB3 GLU 104 2HB GLU 104 -5.021 18.913 -12.136 894 HG2 GLU 104 3HG GLU 104 -4.918 16.515 -11.853 895 HG3 GLU 104 2HG GLU 104 -3.229 16.615 -11.357 896 H HIS 105 H HIS 105 -6.756 19.722 -10.634 897 HA HIS 105 HA HIS 105 -8.434 17.446 -10.171 898 HB2 HIS 105 3HB HIS 105 -8.141 17.981 -7.845 899 HB3 HIS 105 2HB HIS 105 -9.762 18.489 -8.306 900 HD1 HIS 105 HD1 HIS 105 -10.267 21.021 -8.258 901 HD2 HIS 105 HD2 HIS 105 -6.361 20.071 -7.211 902 HE1 HIS 105 HE1 HIS 105 -9.305 23.123 -7.271 903 HE2 HIS 105 HE2 HIS 105 -6.890 22.570 -6.828 904 H HIS 106 H HIS 106 -9.763 17.658 -11.873 905 HA HIS 106 HA HIS 106 -10.316 20.157 -13.114 906 HB2 HIS 106 3HB HIS 106 -11.768 17.532 -13.524 907 HB3 HIS 106 2HB HIS 106 -10.251 17.963 -14.305 908 HD1 HIS 106 HD1 HIS 106 -12.919 17.359 -15.853 909 HD2 HIS 106 HD2 HIS 106 -11.453 21.141 -14.956 910 HE1 HIS 106 HE1 HIS 106 -13.918 18.894 -17.564 911 HE2 HIS 106 HE2 HIS 106 -12.883 21.134 -17.104 912 H HIS 107 H HIS 107 -12.098 18.191 -10.788 913 HA HIS 107 HA HIS 107 -14.383 19.943 -10.745 914 HB2 HIS 107 3HB HIS 107 -14.536 18.718 -8.333 915 HB3 HIS 107 2HB HIS 107 -13.482 17.586 -9.173 916 HD1 HIS 107 HD1 HIS 107 -16.936 19.086 -9.382 917 HD2 HIS 107 HD2 HIS 107 -14.760 15.929 -10.991 918 HE1 HIS 107 HE1 HIS 107 -18.605 17.677 -10.612 919 HE2 HIS 107 HE2 HIS 107 -17.305 15.673 -11.385 920 H HIS 108 H HIS 108 -14.693 21.764 -9.592 921 HA HIS 108 HA HIS 108 -12.505 22.945 -8.153 922 HB2 HIS 108 3HB HIS 108 -15.246 24.097 -7.905 923 HB3 HIS 108 2HB HIS 108 -14.581 23.995 -9.530 924 HD1 HIS 108 HD1 HIS 108 -15.123 26.677 -7.901 925 HD2 HIS 108 HD2 HIS 108 -11.448 24.828 -8.478 926 HE1 HIS 108 HE1 HIS 108 -13.410 28.492 -7.654 927 HE2 HIS 108 HE2 HIS 108 -11.194 27.335 -7.915 928 H HIS 109 H HIS 109 -15.655 21.555 -7.299 929 HA HIS 109 HA HIS 109 -14.740 20.260 -5.002 930 HB2 HIS 109 3HB HIS 109 -14.661 22.629 -4.097 931 HB3 HIS 109 2HB HIS 109 -15.647 21.507 -3.167 932 HD1 HIS 109 HD1 HIS 109 -18.029 22.158 -2.756 933 HD2 HIS 109 HD2 HIS 109 -16.250 24.442 -5.733 934 HE1 HIS 109 HE1 HIS 109 -19.704 23.933 -3.332 935 HE2 HIS 109 HE2 HIS 109 -18.544 25.393 -5.015 936 H HIS 110 H HIS 110 -16.640 19.390 -3.656 937 HA HIS 110 HA HIS 110 -19.180 19.442 -5.143 938 HB2 HIS 110 3HB HIS 110 -18.280 17.336 -5.771 939 HB3 HIS 110 2HB HIS 110 -19.497 16.999 -4.548 940 HD1 HIS 110 HD1 HIS 110 -15.743 17.168 -4.949 941 HD2 HIS 110 HD2 HIS 110 -18.589 15.589 -2.366 942 HE1 HIS 110 HE1 HIS 110 -14.469 15.710 -3.353 943 HE2 HIS 110 HE2 HIS 110 -16.188 14.889 -1.716 Start of MODEL 9 1 H1 MET 1 1H MET 1 0.584 16.886 4.583 2 H2 MET 1 2H MET 1 -0.061 17.694 3.245 3 H3 MET 1 3H MET 1 1.232 16.627 3.043 4 HA MET 1 HA MET 1 -1.502 15.886 3.923 5 HB2 MET 1 3HB MET 1 -0.082 15.219 1.329 6 HB3 MET 1 2HB MET 1 -1.224 16.543 1.500 7 HG2 MET 1 3HG MET 1 -1.930 13.672 2.058 8 HG3 MET 1 2HG MET 1 -2.154 14.454 0.493 9 HE1 MET 1 3HE MET 1 -5.837 14.303 1.707 10 HE2 MET 1 1HE MET 1 -4.597 13.067 1.915 11 HE3 MET 1 2HE MET 1 -4.710 13.957 0.396 12 H LEU 2 H LEU 2 -1.624 13.943 4.947 13 HA LEU 2 HA LEU 2 0.779 12.478 5.504 14 HB2 LEU 2 3HB LEU 2 -0.667 10.953 6.778 15 HB3 LEU 2 2HB LEU 2 -2.091 11.740 6.127 16 HG LEU 2 HG LEU 2 -0.129 13.401 7.668 17 HD11 LEU 2 1HD1 LEU 2 -3.137 13.444 7.464 18 HD12 LEU 2 2HD1 LEU 2 -2.019 14.493 6.591 19 HD13 LEU 2 3HD1 LEU 2 -2.136 14.601 8.345 20 HD21 LEU 2 3HD2 LEU 2 -1.216 12.817 9.778 21 HD22 LEU 2 1HD2 LEU 2 -0.405 11.423 9.065 22 HD23 LEU 2 2HD2 LEU 2 -2.159 11.574 8.956 23 H LEU 3 H LEU 3 1.660 10.940 4.275 24 HA LEU 3 HA LEU 3 -0.067 9.461 2.380 25 HB2 LEU 3 3HB LEU 3 1.866 9.450 0.810 26 HB3 LEU 3 2HB LEU 3 2.731 10.506 1.911 27 HG LEU 3 HG LEU 3 0.919 12.222 1.581 28 HD11 LEU 3 1HD1 LEU 3 3.030 12.361 0.352 29 HD12 LEU 3 2HD1 LEU 3 1.682 12.931 -0.631 30 HD13 LEU 3 3HD1 LEU 3 2.367 11.331 -0.919 31 HD21 LEU 3 3HD2 LEU 3 0.011 10.326 -0.583 32 HD22 LEU 3 1HD2 LEU 3 -0.570 11.975 -0.345 33 HD23 LEU 3 2HD2 LEU 3 -0.877 10.747 0.883 34 H TYR 4 H TYR 4 -0.057 7.333 2.704 35 HA TYR 4 HA TYR 4 2.319 6.066 3.927 36 HB2 TYR 4 3HB TYR 4 0.723 4.529 5.130 37 HB3 TYR 4 2HB TYR 4 -0.594 5.569 4.596 38 HD1 TYR 4 HD1 TYR 4 -0.827 7.853 5.516 39 HD2 TYR 4 HD2 TYR 4 2.216 5.217 6.898 40 HE1 TYR 4 HE1 TYR 4 -0.471 9.296 7.475 41 HE2 TYR 4 HE2 TYR 4 2.577 6.652 8.858 42 HH TYR 4 HH TYR 4 2.222 9.087 9.438 43 H VAL 5 H VAL 5 2.495 3.713 3.530 44 HA VAL 5 HA VAL 5 1.195 2.870 1.013 45 HB VAL 5 HB VAL 5 4.128 2.473 1.667 46 HG11 VAL 5 1HG1 VAL 5 4.292 1.611 -0.642 47 HG12 VAL 5 2HG1 VAL 5 2.538 1.735 -0.797 48 HG13 VAL 5 3HG1 VAL 5 3.246 0.619 0.373 49 HG21 VAL 5 3HG2 VAL 5 3.670 4.801 1.101 50 HG22 VAL 5 1HG2 VAL 5 2.831 4.296 -0.368 51 HG23 VAL 5 2HG2 VAL 5 4.565 4.014 -0.200 52 H LEU 6 H LEU 6 0.501 0.807 0.936 53 HA LEU 6 HA LEU 6 1.337 -1.089 3.046 54 HB2 LEU 6 3HB LEU 6 -0.901 -2.124 2.846 55 HB3 LEU 6 2HB LEU 6 -1.365 -0.891 1.688 56 HG LEU 6 HG LEU 6 -1.173 0.834 3.430 57 HD11 LEU 6 1HD1 LEU 6 -2.903 -1.519 4.196 58 HD12 LEU 6 2HD1 LEU 6 -3.333 -0.196 3.108 59 HD13 LEU 6 3HD1 LEU 6 -3.082 0.120 4.824 60 HD21 LEU 6 3HD2 LEU 6 -0.817 0.221 5.769 61 HD22 LEU 6 1HD2 LEU 6 0.587 -0.194 4.787 62 HD23 LEU 6 2HD2 LEU 6 -0.534 -1.456 5.300 63 H ILE 7 H ILE 7 2.162 -3.014 2.322 64 HA ILE 7 HA ILE 7 1.890 -3.575 -0.572 65 HB ILE 7 HB ILE 7 4.152 -2.820 -0.061 66 HG12 ILE 7 3HG1 ILE 7 3.816 -4.506 -1.836 67 HG13 ILE 7 2HG1 ILE 7 4.040 -5.793 -0.658 68 HG21 ILE 7 1HG2 ILE 7 4.263 -3.478 2.286 69 HG22 ILE 7 2HG2 ILE 7 5.643 -4.107 1.388 70 HG23 ILE 7 3HG2 ILE 7 4.310 -5.179 1.818 71 HD11 ILE 7 3HD1 ILE 7 6.116 -3.767 -1.445 72 HD12 ILE 7 1HD1 ILE 7 6.032 -5.439 -1.995 73 HD13 ILE 7 2HD1 ILE 7 6.333 -5.086 -0.295 74 H ILE 8 H ILE 8 1.199 -5.517 -1.172 75 HA ILE 8 HA ILE 8 1.066 -7.703 0.817 76 HB ILE 8 HB ILE 8 -0.793 -7.244 -1.536 77 HG12 ILE 8 3HG1 ILE 8 -1.082 -5.539 0.247 78 HG13 ILE 8 2HG1 ILE 8 -1.316 -6.829 1.421 79 HG21 ILE 8 1HG2 ILE 8 -2.151 -9.031 -0.543 80 HG22 ILE 8 2HG2 ILE 8 -0.944 -9.248 0.723 81 HG23 ILE 8 3HG2 ILE 8 -0.535 -9.607 -0.955 82 HD11 ILE 8 3HD1 ILE 8 -3.327 -7.545 0.220 83 HD12 ILE 8 1HD1 ILE 8 -3.108 -6.211 -0.912 84 HD13 ILE 8 2HD1 ILE 8 -3.433 -5.879 0.789 85 H SER 9 H SER 9 2.761 -9.027 0.317 86 HA SER 9 HA SER 9 2.815 -10.372 -2.230 87 HB2 SER 9 3HB SER 9 5.193 -8.633 -1.504 88 HB3 SER 9 2HB SER 9 4.053 -8.312 -2.812 89 HG SER 9 HG SER 9 5.102 -9.664 -4.015 90 H ASN 10 H ASN 10 4.625 -11.998 -2.339 91 HA ASN 10 HA ASN 10 5.251 -13.016 0.369 92 HB2 ASN 10 3HB ASN 10 5.348 -15.255 -0.667 93 HB3 ASN 10 2HB ASN 10 4.962 -14.543 -2.232 94 HD21 ASN 10 2HD2 ASN 10 2.064 -15.146 0.534 95 HD22 ASN 10 1HD2 ASN 10 3.735 -15.327 0.932 96 H ASP 11 H ASP 11 6.660 -11.519 -2.233 97 HA ASP 11 HA ASP 11 9.222 -12.945 -2.014 98 HB2 ASP 11 3HB ASP 11 9.857 -11.568 -4.009 99 HB3 ASP 11 2HB ASP 11 8.235 -10.878 -3.996 100 H LYS 12 H LYS 12 10.438 -12.211 -0.367 101 HA LYS 12 HA LYS 12 10.309 -9.616 0.723 102 HB2 LYS 12 3HB LYS 12 12.492 -10.231 1.833 103 HB3 LYS 12 2HB LYS 12 12.466 -11.729 0.909 104 HG2 LYS 12 3HG LYS 12 11.631 -12.033 3.197 105 HG3 LYS 12 2HG LYS 12 10.397 -12.398 1.987 106 HD2 LYS 12 3HD LYS 12 9.437 -10.142 2.323 107 HD3 LYS 12 2HD LYS 12 10.638 -9.835 3.576 108 HE2 LYS 12 3HE LYS 12 8.575 -12.037 3.652 109 HE3 LYS 12 2HE LYS 12 8.453 -10.498 4.500 110 HZ1 LYS 12 3HZ LYS 12 10.550 -12.553 4.930 111 HZ2 LYS 12 1HZ LYS 12 9.257 -12.220 5.964 112 HZ3 LYS 12 2HZ LYS 12 10.465 -11.062 5.726 113 H LYS 13 H LYS 13 12.170 -10.928 -1.930 114 HA LYS 13 HA LYS 13 14.040 -8.863 -2.275 115 HB2 LYS 13 3HB LYS 13 14.131 -9.551 -4.626 116 HB3 LYS 13 2HB LYS 13 12.620 -10.426 -4.449 117 HG2 LYS 13 3HG LYS 13 14.410 -12.003 -4.457 118 HG3 LYS 13 2HG LYS 13 13.728 -11.948 -2.834 119 HD2 LYS 13 3HD LYS 13 16.111 -10.250 -3.493 120 HD3 LYS 13 2HD LYS 13 16.325 -11.969 -3.174 121 HE2 LYS 13 3HE LYS 13 15.294 -11.723 -0.981 122 HE3 LYS 13 2HE LYS 13 15.008 -10.012 -1.289 123 HZ1 LYS 13 3HZ LYS 13 16.964 -10.333 0.071 124 HZ2 LYS 13 1HZ LYS 13 17.394 -9.673 -1.425 125 HZ3 LYS 13 2HZ LYS 13 17.671 -11.309 -1.115 126 H LEU 14 H LEU 14 10.706 -9.160 -3.409 127 HA LEU 14 HA LEU 14 10.614 -6.616 -4.721 128 HB2 LEU 14 3HB LEU 14 8.333 -8.365 -3.761 129 HB3 LEU 14 2HB LEU 14 9.194 -8.611 -5.266 130 HG LEU 14 HG LEU 14 8.411 -6.209 -5.871 131 HD11 LEU 14 1HD1 LEU 14 6.456 -8.506 -5.703 132 HD12 LEU 14 2HD1 LEU 14 7.616 -8.208 -6.997 133 HD13 LEU 14 3HD1 LEU 14 6.282 -7.086 -6.736 134 HD21 LEU 14 3HD2 LEU 14 6.426 -6.878 -3.690 135 HD22 LEU 14 1HD2 LEU 14 6.273 -5.556 -4.848 136 HD23 LEU 14 2HD2 LEU 14 7.584 -5.548 -3.672 137 H ILE 15 H ILE 15 9.582 -7.834 -1.557 138 HA ILE 15 HA ILE 15 8.193 -5.534 -0.707 139 HB ILE 15 HB ILE 15 9.528 -7.695 0.937 140 HG12 ILE 15 3HG1 ILE 15 7.752 -8.495 -0.589 141 HG13 ILE 15 2HG1 ILE 15 6.636 -7.315 0.088 142 HG21 ILE 15 1HG2 ILE 15 8.109 -6.965 2.797 143 HG22 ILE 15 2HG2 ILE 15 7.500 -5.631 1.816 144 HG23 ILE 15 3HG2 ILE 15 9.199 -5.674 2.287 145 HD11 ILE 15 3HD1 ILE 15 6.784 -8.430 2.261 146 HD12 ILE 15 1HD1 ILE 15 7.869 -9.630 1.557 147 HD13 ILE 15 2HD1 ILE 15 6.203 -9.506 0.990 148 H GLU 16 H GLU 16 11.574 -6.532 -0.067 149 HA GLU 16 HA GLU 16 12.271 -4.427 1.627 150 HB2 GLU 16 3HB GLU 16 14.636 -4.842 0.857 151 HB3 GLU 16 2HB GLU 16 13.992 -5.966 -0.333 152 HG2 GLU 16 3HG GLU 16 14.838 -7.133 1.620 153 HG3 GLU 16 2HG GLU 16 13.100 -7.368 1.445 154 H GLU 17 H GLU 17 12.742 -4.626 -1.914 155 HA GLU 17 HA GLU 17 13.885 -2.112 -2.281 156 HB2 GLU 17 3HB GLU 17 12.847 -2.330 -4.655 157 HB3 GLU 17 2HB GLU 17 12.293 -3.905 -4.099 158 HG2 GLU 17 3HG GLU 17 14.360 -4.173 -5.291 159 HG3 GLU 17 2HG GLU 17 14.635 -4.509 -3.580 160 H ALA 18 H ALA 18 10.481 -2.985 -2.039 161 HA ALA 18 HA ALA 18 9.404 -0.457 -2.697 162 HB1 ALA 18 3HB ALA 18 8.056 -2.505 -2.584 163 HB2 ALA 18 1HB ALA 18 7.380 -1.227 -1.573 164 HB3 ALA 18 2HB ALA 18 8.279 -2.554 -0.835 165 H ARG 19 H ARG 19 10.487 -1.846 0.402 166 HA ARG 19 HA ARG 19 9.656 0.347 2.005 167 HB2 ARG 19 3HB ARG 19 11.010 -0.616 3.779 168 HB3 ARG 19 2HB ARG 19 11.856 -1.636 2.623 169 HG2 ARG 19 3HG ARG 19 9.993 -3.016 2.292 170 HG3 ARG 19 2HG ARG 19 8.880 -1.835 2.979 171 HD2 ARG 19 3HD ARG 19 9.350 -3.803 4.450 172 HD3 ARG 19 2HD ARG 19 9.677 -2.235 5.188 173 HE ARG 19 HE ARG 19 12.086 -2.967 4.180 174 HH11 ARG 19 1HH1 ARG 19 9.831 -4.574 6.235 175 HH12 ARG 19 2HH1 ARG 19 11.068 -5.415 7.096 176 HH21 ARG 19 2HH2 ARG 19 13.191 -5.115 6.579 177 HH22 ARG 19 1HH2 ARG 19 13.640 -4.040 5.303 178 H LYS 20 H LYS 20 12.803 -0.421 0.485 179 HA LYS 20 HA LYS 20 14.313 1.716 1.434 180 HB2 LYS 20 3HB LYS 20 15.367 1.707 -0.957 181 HB3 LYS 20 2HB LYS 20 14.321 0.329 -1.241 182 HG2 LYS 20 3HG LYS 20 16.308 0.419 1.018 183 HG3 LYS 20 2HG LYS 20 16.707 -0.174 -0.593 184 HD2 LYS 20 3HD LYS 20 14.658 -1.723 -0.283 185 HD3 LYS 20 2HD LYS 20 14.836 -1.349 1.432 186 HE2 LYS 20 3HE LYS 20 16.015 -3.400 0.926 187 HE3 LYS 20 2HE LYS 20 17.178 -2.140 1.333 188 HZ1 LYS 20 3HZ LYS 20 17.652 -1.827 -0.986 189 HZ2 LYS 20 1HZ LYS 20 16.467 -2.944 -1.439 190 HZ3 LYS 20 2HZ LYS 20 17.847 -3.459 -0.605 191 H MET 21 H MET 21 12.334 1.671 -1.537 192 HA MET 21 HA MET 21 12.608 4.358 -2.235 193 HB2 MET 21 3HB MET 21 10.341 3.999 -3.386 194 HB3 MET 21 2HB MET 21 10.387 2.370 -2.725 195 HG2 MET 21 3HG MET 21 11.174 2.353 -4.998 196 HG3 MET 21 2HG MET 21 12.505 1.968 -3.907 197 HE1 MET 21 3HE MET 21 10.983 5.536 -4.417 198 HE2 MET 21 1HE MET 21 10.822 4.846 -6.034 199 HE3 MET 21 2HE MET 21 11.954 6.168 -5.749 200 H ALA 22 H ALA 22 10.191 2.832 -0.113 201 HA ALA 22 HA ALA 22 8.576 5.047 0.357 202 HB1 ALA 22 3HB ALA 22 9.293 2.848 2.299 203 HB2 ALA 22 1HB ALA 22 7.995 2.795 1.105 204 HB3 ALA 22 2HB ALA 22 7.918 3.943 2.443 205 H GLU 23 H GLU 23 11.486 4.012 2.166 206 HA GLU 23 HA GLU 23 11.561 6.078 4.060 207 HB2 GLU 23 3HB GLU 23 13.922 5.569 4.326 208 HB3 GLU 23 2HB GLU 23 13.971 4.788 2.754 209 HG2 GLU 23 3HG GLU 23 12.448 3.045 3.596 210 HG3 GLU 23 2HG GLU 23 12.492 3.808 5.186 211 H LYS 24 H LYS 24 13.014 5.897 0.836 212 HA LYS 24 HA LYS 24 14.276 8.467 0.995 213 HB2 LYS 24 3HB LYS 24 14.624 8.003 -1.530 214 HB3 LYS 24 2HB LYS 24 13.908 6.433 -1.198 215 HG2 LYS 24 3HG LYS 24 16.447 7.563 -0.034 216 HG3 LYS 24 2HG LYS 24 16.294 6.211 -1.149 217 HD2 LYS 24 3HD LYS 24 15.144 4.902 0.565 218 HD3 LYS 24 2HD LYS 24 15.243 6.257 1.685 219 HE2 LYS 24 3HE LYS 24 17.733 6.128 1.511 220 HE3 LYS 24 2HE LYS 24 17.536 4.653 0.563 221 HZ1 LYS 24 3HZ LYS 24 17.931 4.084 2.840 222 HZ2 LYS 24 1HZ LYS 24 16.326 3.691 2.476 223 HZ3 LYS 24 2HZ LYS 24 16.675 5.081 3.372 224 H ALA 25 H ALA 25 11.141 7.394 0.002 225 HA ALA 25 HA ALA 25 10.560 9.884 -1.427 226 HB1 ALA 25 3HB ALA 25 8.779 7.498 -0.920 227 HB2 ALA 25 1HB ALA 25 9.758 7.755 -2.364 228 HB3 ALA 25 2HB ALA 25 8.431 8.856 -1.992 229 H ASN 26 H ASN 26 10.769 9.114 1.697 230 HA ASN 26 HA ASN 26 10.011 9.971 3.648 231 HB2 ASN 26 3HB ASN 26 8.513 12.039 2.021 232 HB3 ASN 26 2HB ASN 26 10.244 12.125 2.322 233 HD21 ASN 26 2HD2 ASN 26 9.386 12.347 5.984 234 HD22 ASN 26 1HD2 ASN 26 10.081 11.092 5.025 235 H LEU 27 H LEU 27 8.529 7.884 2.350 236 HA LEU 27 HA LEU 27 5.800 8.355 3.385 237 HB2 LEU 27 3HB LEU 27 5.019 6.655 1.846 238 HB3 LEU 27 2HB LEU 27 6.661 6.272 1.365 239 HG LEU 27 HG LEU 27 6.880 8.447 0.270 240 HD11 LEU 27 1HD1 LEU 27 5.284 8.105 -1.556 241 HD12 LEU 27 2HD1 LEU 27 4.365 6.988 -0.546 242 HD13 LEU 27 3HD1 LEU 27 6.011 6.584 -1.037 243 HD21 LEU 27 3HD2 LEU 27 4.029 8.921 1.148 244 HD22 LEU 27 1HD2 LEU 27 4.957 9.950 0.054 245 HD23 LEU 27 2HD2 LEU 27 5.457 9.776 1.736 246 H GLU 28 H GLU 28 4.906 6.862 4.813 247 HA GLU 28 HA GLU 28 6.749 4.917 6.002 248 HB2 GLU 28 3HB GLU 28 4.846 4.667 7.703 249 HB3 GLU 28 2HB GLU 28 4.088 6.030 6.896 250 HG2 GLU 28 3HG GLU 28 6.774 6.047 8.261 251 HG3 GLU 28 2HG GLU 28 5.280 6.735 8.889 252 H LEU 29 H LEU 29 6.706 2.851 5.408 253 HA LEU 29 HA LEU 29 4.319 1.822 4.007 254 HB2 LEU 29 3HB LEU 29 7.201 0.923 3.788 255 HB3 LEU 29 2HB LEU 29 6.401 2.014 2.677 256 HG LEU 29 HG LEU 29 4.749 0.014 2.288 257 HD11 LEU 29 1HD1 LEU 29 6.258 0.915 0.590 258 HD12 LEU 29 2HD1 LEU 29 6.193 -0.844 0.508 259 HD13 LEU 29 3HD1 LEU 29 7.585 -0.050 1.244 260 HD21 LEU 29 3HD2 LEU 29 5.848 -2.185 2.501 261 HD22 LEU 29 1HD2 LEU 29 5.549 -1.435 4.069 262 HD23 LEU 29 2HD2 LEU 29 7.172 -1.423 3.382 263 H ARG 30 H ARG 30 3.241 0.129 4.830 264 HA ARG 30 HA ARG 30 4.509 -1.487 6.960 265 HB2 ARG 30 3HB ARG 30 2.223 -1.976 7.764 266 HB3 ARG 30 2HB ARG 30 1.563 -0.961 6.494 267 HG2 ARG 30 3HG ARG 30 1.494 0.291 8.502 268 HG3 ARG 30 2HG ARG 30 2.773 0.977 7.505 269 HD2 ARG 30 3HD ARG 30 3.347 -1.059 9.646 270 HD3 ARG 30 2HD ARG 30 3.253 0.663 10.000 271 HE ARG 30 HE ARG 30 5.101 -0.159 7.902 272 HH11 ARG 30 1HH1 ARG 30 4.628 0.805 11.177 273 HH12 ARG 30 2HH1 ARG 30 6.280 1.288 11.379 274 HH21 ARG 30 2HH2 ARG 30 7.723 1.096 9.710 275 HH22 ARG 30 1HH2 ARG 30 7.224 0.456 8.179 276 H THR 31 H THR 31 4.418 -3.731 6.803 277 HA THR 31 HA THR 31 3.843 -4.783 4.141 278 HB THR 31 HB THR 31 4.936 -6.846 4.888 279 HG1 THR 31 HG1 THR 31 5.547 -5.624 7.371 280 HG21 THR 31 3HG2 THR 31 6.367 -5.061 4.034 281 HG22 THR 31 1HG2 THR 31 7.191 -5.950 5.314 282 HG23 THR 31 2HG2 THR 31 6.493 -4.367 5.652 283 H VAL 32 H VAL 32 1.857 -5.494 3.700 284 HA VAL 32 HA VAL 32 0.052 -6.347 5.803 285 HB VAL 32 HB VAL 32 -0.375 -6.227 2.810 286 HG11 VAL 32 1HG1 VAL 32 -1.870 -7.849 3.868 287 HG12 VAL 32 2HG1 VAL 32 -2.769 -6.426 3.337 288 HG13 VAL 32 3HG1 VAL 32 -2.373 -6.634 5.045 289 HG21 VAL 32 3HG2 VAL 32 -1.633 -4.183 3.270 290 HG22 VAL 32 1HG2 VAL 32 0.034 -4.028 3.826 291 HG23 VAL 32 2HG2 VAL 32 -1.260 -4.327 4.988 292 H LYS 33 H LYS 33 -0.278 -8.363 6.419 293 HA LYS 33 HA LYS 33 1.109 -10.508 4.949 294 HB2 LYS 33 3HB LYS 33 1.535 -11.522 7.029 295 HB3 LYS 33 2HB LYS 33 0.234 -10.645 7.830 296 HG2 LYS 33 3HG LYS 33 1.540 -8.543 7.506 297 HG3 LYS 33 2HG LYS 33 2.866 -9.519 6.872 298 HD2 LYS 33 3HD LYS 33 3.180 -10.615 8.961 299 HD3 LYS 33 2HD LYS 33 1.680 -9.946 9.610 300 HE2 LYS 33 3HE LYS 33 3.746 -8.815 10.445 301 HE3 LYS 33 2HE LYS 33 2.601 -7.734 9.653 302 HZ1 LYS 33 3HZ LYS 33 3.945 -7.660 7.718 303 HZ2 LYS 33 1HZ LYS 33 4.952 -8.901 8.276 304 HZ3 LYS 33 2HZ LYS 33 4.972 -7.395 9.032 305 H THR 34 H THR 34 -1.981 -9.618 6.369 306 HA THR 34 HA THR 34 -3.253 -11.952 5.115 307 HB THR 34 HB THR 34 -4.604 -12.446 7.075 308 HG1 THR 34 HG1 THR 34 -3.929 -11.301 9.100 309 HG21 THR 34 3HG2 THR 34 -1.687 -12.275 7.862 310 HG22 THR 34 1HG2 THR 34 -2.432 -13.591 6.953 311 HG23 THR 34 2HG2 THR 34 -2.907 -13.294 8.626 312 H GLU 35 H GLU 35 -5.687 -11.761 5.165 313 HA GLU 35 HA GLU 35 -6.686 -9.323 4.198 314 HB2 GLU 35 3HB GLU 35 -8.164 -11.619 5.521 315 HB3 GLU 35 2HB GLU 35 -7.744 -11.520 3.820 316 HG2 GLU 35 3HG GLU 35 -9.597 -9.597 5.210 317 HG3 GLU 35 2HG GLU 35 -10.122 -11.020 4.319 318 H ASP 36 H ASP 36 -6.391 -10.587 7.447 319 HA ASP 36 HA ASP 36 -7.938 -8.638 8.807 320 HB2 ASP 36 3HB ASP 36 -5.619 -10.343 9.752 321 HB3 ASP 36 2HB ASP 36 -7.329 -10.742 9.873 322 H GLU 37 H GLU 37 -4.427 -8.890 8.195 323 HA GLU 37 HA GLU 37 -3.576 -6.618 9.546 324 HB2 GLU 37 3HB GLU 37 -1.599 -6.638 8.067 325 HB3 GLU 37 2HB GLU 37 -2.421 -7.755 6.990 326 HG2 GLU 37 3HG GLU 37 -0.818 -8.922 8.374 327 HG3 GLU 37 2HG GLU 37 -2.457 -9.447 8.747 328 H LEU 38 H LEU 38 -4.501 -6.847 6.091 329 HA LEU 38 HA LEU 38 -4.033 -4.222 5.318 330 HB2 LEU 38 3HB LEU 38 -6.404 -5.834 4.359 331 HB3 LEU 38 2HB LEU 38 -4.764 -6.261 3.926 332 HG LEU 38 HG LEU 38 -5.735 -5.070 2.088 333 HD11 LEU 38 1HD1 LEU 38 -6.341 -2.801 3.972 334 HD12 LEU 38 2HD1 LEU 38 -7.524 -3.910 3.282 335 HD13 LEU 38 3HD1 LEU 38 -6.618 -2.823 2.231 336 HD21 LEU 38 3HD2 LEU 38 -4.208 -3.179 1.845 337 HD22 LEU 38 1HD2 LEU 38 -3.394 -4.592 2.514 338 HD23 LEU 38 2HD2 LEU 38 -3.840 -3.250 3.569 339 H LYS 39 H LYS 39 -7.129 -5.557 6.512 340 HA LYS 39 HA LYS 39 -8.581 -3.173 6.670 341 HB2 LYS 39 3HB LYS 39 -8.754 -5.652 8.405 342 HB3 LYS 39 2HB LYS 39 -9.606 -5.384 6.893 343 HG2 LYS 39 3HG LYS 39 -10.920 -3.613 7.892 344 HG3 LYS 39 2HG LYS 39 -10.010 -3.750 9.399 345 HD2 LYS 39 3HD LYS 39 -11.674 -5.971 8.195 346 HD3 LYS 39 2HD LYS 39 -12.228 -4.884 9.468 347 HE2 LYS 39 3HE LYS 39 -9.825 -6.701 9.691 348 HE3 LYS 39 2HE LYS 39 -11.428 -7.072 10.322 349 HZ1 LYS 39 3HZ LYS 39 -9.794 -4.731 11.147 350 HZ2 LYS 39 1HZ LYS 39 -9.934 -6.171 12.019 351 HZ3 LYS 39 2HZ LYS 39 -11.286 -5.191 11.788 352 H LYS 40 H LYS 40 -6.637 -4.792 9.137 353 HA LYS 40 HA LYS 40 -7.194 -3.112 11.299 354 HB2 LYS 40 3HB LYS 40 -4.772 -4.820 10.719 355 HB3 LYS 40 2HB LYS 40 -6.256 -5.355 11.489 356 HG2 LYS 40 3HG LYS 40 -5.745 -3.670 13.323 357 HG3 LYS 40 2HG LYS 40 -4.134 -3.549 12.607 358 HD2 LYS 40 3HD LYS 40 -5.465 -6.044 13.677 359 HD3 LYS 40 2HD LYS 40 -4.102 -5.189 14.394 360 HE2 LYS 40 3HE LYS 40 -2.636 -5.842 12.656 361 HE3 LYS 40 2HE LYS 40 -3.966 -6.351 11.618 362 HZ1 LYS 40 3HZ LYS 40 -3.214 -7.682 14.159 363 HZ2 LYS 40 1HZ LYS 40 -2.786 -8.223 12.616 364 HZ3 LYS 40 2HZ LYS 40 -4.412 -8.185 13.077 365 H TYR 41 H TYR 41 -4.591 -2.923 8.878 366 HA TYR 41 HA TYR 41 -3.261 -0.698 10.040 367 HB2 TYR 41 3HB TYR 41 -2.219 -0.419 7.794 368 HB3 TYR 41 2HB TYR 41 -3.317 -1.640 7.162 369 HD1 TYR 41 HD1 TYR 41 -1.972 -2.108 10.525 370 HD2 TYR 41 HD2 TYR 41 -1.368 -2.941 6.391 371 HE1 TYR 41 HE1 TYR 41 -0.353 -3.860 11.116 372 HE2 TYR 41 HE2 TYR 41 0.252 -4.694 6.977 373 HH TYR 41 HH TYR 41 0.526 -6.002 10.002 374 H LEU 42 H LEU 42 -5.801 -0.961 7.564 375 HA LEU 42 HA LEU 42 -6.033 1.781 6.976 376 HB2 LEU 42 3HB LEU 42 -8.368 1.180 6.249 377 HB3 LEU 42 2HB LEU 42 -8.080 -0.433 6.867 378 HG LEU 42 HG LEU 42 -6.299 -0.776 5.229 379 HD11 LEU 42 1HD1 LEU 42 -8.842 0.274 3.982 380 HD12 LEU 42 2HD1 LEU 42 -8.572 -1.362 4.589 381 HD13 LEU 42 3HD1 LEU 42 -7.664 -0.779 3.193 382 HD21 LEU 42 3HD2 LEU 42 -5.454 1.502 5.068 383 HD22 LEU 42 1HD2 LEU 42 -6.946 2.021 4.282 384 HD23 LEU 42 2HD2 LEU 42 -5.868 0.884 3.470 385 H GLU 43 H GLU 43 -7.508 -0.172 9.539 386 HA GLU 43 HA GLU 43 -9.248 1.784 10.574 387 HB2 GLU 43 3HB GLU 43 -9.117 0.470 12.701 388 HB3 GLU 43 2HB GLU 43 -7.833 -0.494 11.978 389 HG2 GLU 43 3HG GLU 43 -9.362 -1.258 10.240 390 HG3 GLU 43 2HG GLU 43 -10.647 -0.256 10.912 391 H GLU 44 H GLU 44 -5.828 1.105 11.308 392 HA GLU 44 HA GLU 44 -5.363 3.117 13.207 393 HB2 GLU 44 3HB GLU 44 -3.556 2.040 11.021 394 HB3 GLU 44 2HB GLU 44 -3.668 1.447 12.670 395 HG2 GLU 44 3HG GLU 44 -2.808 4.266 12.092 396 HG3 GLU 44 2HG GLU 44 -1.667 2.929 12.017 397 H PHE 45 H PHE 45 -5.300 3.251 9.655 398 HA PHE 45 HA PHE 45 -4.505 5.967 9.451 399 HB2 PHE 45 3HB PHE 45 -5.188 5.777 7.079 400 HB3 PHE 45 2HB PHE 45 -5.943 4.227 7.434 401 HD1 PHE 45 HD1 PHE 45 -4.688 2.722 6.157 402 HD2 PHE 45 HD2 PHE 45 -2.673 5.519 8.657 403 HE1 PHE 45 HE1 PHE 45 -2.560 1.570 5.729 404 HE2 PHE 45 HE2 PHE 45 -0.542 4.368 8.229 405 HZ PHE 45 HZ PHE 45 -0.483 2.390 6.764 406 H ARG 46 H ARG 46 -7.632 4.506 9.988 407 HA ARG 46 HA ARG 46 -9.324 6.565 9.116 408 HB2 ARG 46 3HB ARG 46 -10.918 5.748 10.879 409 HB3 ARG 46 2HB ARG 46 -9.644 4.691 11.471 410 HG2 ARG 46 3HG ARG 46 -11.203 3.479 10.057 411 HG3 ARG 46 2HG ARG 46 -9.599 3.529 9.322 412 HD2 ARG 46 3HD ARG 46 -11.304 3.932 7.643 413 HD3 ARG 46 2HD ARG 46 -10.321 5.376 7.873 414 HE ARG 46 HE ARG 46 -12.577 5.574 9.523 415 HH11 ARG 46 1HH1 ARG 46 -11.750 5.603 6.191 416 HH12 ARG 46 2HH1 ARG 46 -13.139 6.508 5.723 417 HH21 ARG 46 2HH2 ARG 46 -14.616 7.158 7.256 418 HH22 ARG 46 1HH2 ARG 46 -14.368 6.780 8.926 419 H LYS 47 H LYS 47 -7.396 6.289 12.032 420 HA LYS 47 HA LYS 47 -8.359 8.455 13.510 421 HB2 LYS 47 3HB LYS 47 -6.020 8.530 14.449 422 HB3 LYS 47 2HB LYS 47 -5.558 7.341 13.236 423 HG2 LYS 47 3HG LYS 47 -7.441 5.893 14.216 424 HG3 LYS 47 2HG LYS 47 -7.408 7.010 15.581 425 HD2 LYS 47 3HD LYS 47 -5.157 5.266 14.581 426 HD3 LYS 47 2HD LYS 47 -6.011 5.138 16.118 427 HE2 LYS 47 3HE LYS 47 -5.114 7.334 16.786 428 HE3 LYS 47 2HE LYS 47 -4.222 7.417 15.266 429 HZ1 LYS 47 3HZ LYS 47 -2.754 6.645 16.950 430 HZ2 LYS 47 1HZ LYS 47 -3.092 5.333 15.934 431 HZ3 LYS 47 2HZ LYS 47 -3.840 5.445 17.449 432 H GLU 48 H GLU 48 -6.031 8.367 10.844 433 HA GLU 48 HA GLU 48 -5.843 11.300 10.879 434 HB2 GLU 48 3HB GLU 48 -3.900 10.983 9.378 435 HB3 GLU 48 2HB GLU 48 -4.158 9.243 9.428 436 HG2 GLU 48 3HG GLU 48 -2.342 10.045 10.918 437 HG3 GLU 48 2HG GLU 48 -3.614 9.153 11.752 438 H SER 49 H SER 49 -8.151 9.703 9.793 439 HA SER 49 HA SER 49 -8.051 9.857 6.932 440 HB2 SER 49 3HB SER 49 -10.481 9.583 8.727 441 HB3 SER 49 2HB SER 49 -9.498 8.242 8.145 442 HG SER 49 HG SER 49 -11.029 10.045 6.569 443 H GLN 50 H GLN 50 -7.465 12.398 8.258 444 HA GLN 50 HA GLN 50 -9.641 14.107 7.280 445 HB2 GLN 50 3HB GLN 50 -8.348 15.950 8.365 446 HB3 GLN 50 2HB GLN 50 -7.157 14.766 8.891 447 HG2 GLN 50 3HG GLN 50 -8.633 15.269 10.715 448 HG3 GLN 50 2HG GLN 50 -8.918 13.612 10.183 449 HE21 GLN 50 2HE2 GLN 50 -12.210 14.173 9.154 450 HE22 GLN 50 1HE2 GLN 50 -10.841 13.126 9.097 451 H ASN 51 H ASN 51 -6.082 13.842 7.036 452 HA ASN 51 HA ASN 51 -6.271 14.765 4.238 453 HB2 ASN 51 3HB ASN 51 -4.370 16.211 4.482 454 HB3 ASN 51 2HB ASN 51 -4.050 15.623 6.111 455 HD21 ASN 51 2HD2 ASN 51 -6.263 17.787 7.677 456 HD22 ASN 51 1HD2 ASN 51 -5.203 16.436 7.815 457 H ILE 52 H ILE 52 -6.188 12.149 4.488 458 HA ILE 52 HA ILE 52 -3.343 11.365 4.274 459 HB ILE 52 HB ILE 52 -4.407 10.529 6.358 460 HG12 ILE 52 3HG1 ILE 52 -2.519 9.316 5.290 461 HG13 ILE 52 2HG1 ILE 52 -3.673 8.344 4.383 462 HG21 ILE 52 1HG2 ILE 52 -6.144 8.911 4.486 463 HG22 ILE 52 2HG2 ILE 52 -6.686 10.233 5.520 464 HG23 ILE 52 3HG2 ILE 52 -6.079 8.743 6.241 465 HD11 ILE 52 3HD1 ILE 52 -3.397 8.395 7.380 466 HD12 ILE 52 1HD1 ILE 52 -2.799 7.137 6.299 467 HD13 ILE 52 2HD1 ILE 52 -4.533 7.409 6.459 468 H LYS 53 H LYS 53 -2.734 9.953 2.677 469 HA LYS 53 HA LYS 53 -4.798 8.646 1.033 470 HB2 LYS 53 3HB LYS 53 -3.661 9.168 -1.031 471 HB3 LYS 53 2HB LYS 53 -2.319 9.909 -0.173 472 HG2 LYS 53 3HG LYS 53 -3.758 11.730 0.557 473 HG3 LYS 53 2HG LYS 53 -5.135 10.991 -0.270 474 HD2 LYS 53 3HD LYS 53 -2.598 11.966 -1.602 475 HD3 LYS 53 2HD LYS 53 -4.137 12.828 -1.579 476 HE2 LYS 53 3HE LYS 53 -3.671 10.113 -2.818 477 HE3 LYS 53 2HE LYS 53 -3.773 11.636 -3.698 478 HZ1 LYS 53 3HZ LYS 53 -6.055 11.888 -2.906 479 HZ2 LYS 53 1HZ LYS 53 -5.951 10.408 -2.095 480 HZ3 LYS 53 2HZ LYS 53 -5.866 10.454 -3.780 481 H VAL 54 H VAL 54 -4.318 6.508 0.599 482 HA VAL 54 HA VAL 54 -1.645 5.565 1.463 483 HB VAL 54 HB VAL 54 -4.245 4.028 1.639 484 HG11 VAL 54 1HG1 VAL 54 -2.939 2.406 2.953 485 HG12 VAL 54 2HG1 VAL 54 -1.474 3.334 2.627 486 HG13 VAL 54 3HG1 VAL 54 -2.340 2.557 1.302 487 HG21 VAL 54 3HG2 VAL 54 -4.072 4.322 4.059 488 HG22 VAL 54 1HG2 VAL 54 -4.178 5.883 3.244 489 HG23 VAL 54 2HG2 VAL 54 -2.624 5.308 3.849 490 H LEU 55 H LEU 55 -0.453 4.452 0.051 491 HA LEU 55 HA LEU 55 -1.638 3.579 -2.493 492 HB2 LEU 55 3HB LEU 55 1.240 3.881 -1.615 493 HB3 LEU 55 2HB LEU 55 0.347 4.989 -2.641 494 HG LEU 55 HG LEU 55 1.019 2.135 -3.386 495 HD11 LEU 55 1HD1 LEU 55 -0.972 2.961 -4.505 496 HD12 LEU 55 2HD1 LEU 55 0.365 2.802 -5.642 497 HD13 LEU 55 3HD1 LEU 55 -0.095 4.396 -5.043 498 HD21 LEU 55 3HD2 LEU 55 2.703 3.091 -4.876 499 HD22 LEU 55 1HD2 LEU 55 3.047 3.471 -3.189 500 HD23 LEU 55 2HD2 LEU 55 2.356 4.700 -4.246 501 H ILE 56 H ILE 56 -2.279 1.499 -2.615 502 HA ILE 56 HA ILE 56 -0.924 -0.528 -0.948 503 HB ILE 56 HB ILE 56 -3.640 -0.704 -2.285 504 HG12 ILE 56 3HG1 ILE 56 -3.617 0.943 -0.447 505 HG13 ILE 56 2HG1 ILE 56 -2.926 -0.260 0.635 506 HG21 ILE 56 1HG2 ILE 56 -2.260 -2.573 -0.346 507 HG22 ILE 56 2HG2 ILE 56 -2.613 -2.891 -2.045 508 HG23 ILE 56 3HG2 ILE 56 -3.933 -2.724 -0.889 509 HD11 ILE 56 3HD1 ILE 56 -5.286 -0.001 1.050 510 HD12 ILE 56 1HD1 ILE 56 -4.959 -1.613 0.414 511 HD13 ILE 56 2HD1 ILE 56 -5.653 -0.374 -0.635 512 H LEU 57 H LEU 57 0.367 -1.965 -1.924 513 HA LEU 57 HA LEU 57 0.109 -2.419 -4.837 514 HB2 LEU 57 3HB LEU 57 2.478 -3.263 -4.683 515 HB3 LEU 57 2HB LEU 57 2.503 -2.738 -3.012 516 HG LEU 57 HG LEU 57 3.642 -1.193 -4.609 517 HD11 LEU 57 1HD1 LEU 57 0.849 -0.701 -5.629 518 HD12 LEU 57 2HD1 LEU 57 2.184 -1.433 -6.522 519 HD13 LEU 57 3HD1 LEU 57 2.274 0.259 -6.032 520 HD21 LEU 57 3HD2 LEU 57 2.847 -0.388 -2.444 521 HD22 LEU 57 1HD2 LEU 57 1.279 -0.006 -3.156 522 HD23 LEU 57 2HD2 LEU 57 2.722 0.861 -3.682 523 H VAL 58 H VAL 58 -0.269 -4.478 -5.589 524 HA VAL 58 HA VAL 58 -0.132 -6.713 -3.651 525 HB VAL 58 HB VAL 58 -2.212 -7.643 -4.537 526 HG11 VAL 58 1HG1 VAL 58 -3.787 -6.061 -3.545 527 HG12 VAL 58 2HG1 VAL 58 -2.570 -4.786 -3.620 528 HG13 VAL 58 3HG1 VAL 58 -2.320 -6.181 -2.570 529 HG21 VAL 58 3HG2 VAL 58 -2.394 -5.103 -6.164 530 HG22 VAL 58 1HG2 VAL 58 -3.657 -6.325 -6.021 531 HG23 VAL 58 2HG2 VAL 58 -2.127 -6.729 -6.793 532 H SER 59 H SER 59 0.511 -8.707 -4.458 533 HA SER 59 HA SER 59 1.854 -8.791 -6.980 534 HB2 SER 59 3HB SER 59 2.212 -11.208 -6.459 535 HB3 SER 59 2HB SER 59 1.166 -11.027 -5.054 536 HG SER 59 HG SER 59 3.484 -10.839 -4.664 537 H ASN 60 H ASN 60 -1.216 -10.213 -5.836 538 HA ASN 60 HA ASN 60 -1.700 -11.252 -8.561 539 HB2 ASN 60 3HB ASN 60 -3.207 -12.873 -7.563 540 HB3 ASN 60 2HB ASN 60 -3.038 -12.114 -5.985 541 HD21 ASN 60 2HD2 ASN 60 -0.702 -14.594 -5.313 542 HD22 ASN 60 1HD2 ASN 60 -2.271 -13.944 -4.996 543 H ASP 61 H ASP 61 -3.932 -11.229 -9.362 544 HA ASP 61 HA ASP 61 -5.126 -8.656 -9.116 545 HB2 ASP 61 3HB ASP 61 -5.177 -9.940 -11.212 546 HB3 ASP 61 2HB ASP 61 -6.800 -9.495 -10.692 547 H GLU 62 H GLU 62 -5.790 -11.761 -7.627 548 HA GLU 62 HA GLU 62 -8.363 -11.164 -6.612 549 HB2 GLU 62 3HB GLU 62 -6.247 -13.042 -5.537 550 HB3 GLU 62 2HB GLU 62 -7.493 -13.447 -6.709 551 HG2 GLU 62 3HG GLU 62 -9.206 -12.927 -4.968 552 HG3 GLU 62 2HG GLU 62 -7.891 -12.725 -3.810 553 H GLU 63 H GLU 63 -5.130 -10.883 -5.100 554 HA GLU 63 HA GLU 63 -5.947 -9.733 -2.677 555 HB2 GLU 63 3HB GLU 63 -3.740 -9.421 -2.225 556 HB3 GLU 63 2HB GLU 63 -3.437 -8.606 -3.745 557 HG2 GLU 63 3HG GLU 63 -2.124 -10.637 -3.531 558 HG3 GLU 63 2HG GLU 63 -3.232 -10.711 -4.896 559 H LEU 64 H LEU 64 -5.313 -8.289 -5.820 560 HA LEU 64 HA LEU 64 -5.468 -5.579 -5.303 561 HB2 LEU 64 3HB LEU 64 -6.715 -7.042 -7.641 562 HB3 LEU 64 2HB LEU 64 -5.011 -6.662 -7.508 563 HG LEU 64 HG LEU 64 -7.150 -4.530 -7.523 564 HD11 LEU 64 1HD1 LEU 64 -4.924 -3.923 -6.633 565 HD12 LEU 64 2HD1 LEU 64 -5.345 -3.042 -8.099 566 HD13 LEU 64 3HD1 LEU 64 -4.206 -4.387 -8.174 567 HD21 LEU 64 3HD2 LEU 64 -7.333 -5.828 -9.593 568 HD22 LEU 64 1HD2 LEU 64 -5.608 -5.604 -9.892 569 HD23 LEU 64 2HD2 LEU 64 -6.695 -4.214 -9.900 570 H ASP 65 H ASP 65 -8.178 -7.767 -6.053 571 HA ASP 65 HA ASP 65 -10.221 -5.853 -5.675 572 HB2 ASP 65 3HB ASP 65 -10.367 -8.874 -5.489 573 HB3 ASP 65 2HB ASP 65 -10.505 -7.934 -6.972 574 H LYS 66 H LYS 66 -8.948 -8.386 -3.496 575 HA LYS 66 HA LYS 66 -10.688 -7.993 -1.350 576 HB2 LYS 66 3HB LYS 66 -8.947 -9.025 0.063 577 HB3 LYS 66 2HB LYS 66 -7.776 -8.816 -1.233 578 HG2 LYS 66 3HG LYS 66 -8.588 -11.110 -1.112 579 HG3 LYS 66 2HG LYS 66 -9.012 -10.351 -2.644 580 HD2 LYS 66 3HD LYS 66 -10.884 -11.649 -1.833 581 HD3 LYS 66 2HD LYS 66 -11.290 -9.933 -1.796 582 HE2 LYS 66 3HE LYS 66 -10.246 -11.339 0.644 583 HE3 LYS 66 2HE LYS 66 -11.954 -11.394 0.215 584 HZ1 LYS 66 3HZ LYS 66 -11.830 -8.889 0.145 585 HZ2 LYS 66 1HZ LYS 66 -10.330 -9.028 0.924 586 HZ3 LYS 66 2HZ LYS 66 -11.730 -9.607 1.671 587 H ALA 67 H ALA 67 -7.565 -6.419 -1.991 588 HA ALA 67 HA ALA 67 -7.388 -4.911 0.362 589 HB1 ALA 67 3HB ALA 67 -6.316 -4.153 -2.358 590 HB2 ALA 67 1HB ALA 67 -5.525 -5.252 -1.227 591 HB3 ALA 67 2HB ALA 67 -5.752 -3.557 -0.797 592 H LYS 68 H LYS 68 -8.713 -3.956 -2.828 593 HA LYS 68 HA LYS 68 -9.530 -1.380 -1.924 594 HB2 LYS 68 3HB LYS 68 -9.094 -1.802 -4.285 595 HB3 LYS 68 2HB LYS 68 -10.723 -1.187 -4.048 596 HG2 LYS 68 3HG LYS 68 -11.654 -3.393 -4.356 597 HG3 LYS 68 2HG LYS 68 -10.035 -4.091 -4.460 598 HD2 LYS 68 3HD LYS 68 -11.004 -3.832 -6.687 599 HD3 LYS 68 2HD LYS 68 -9.597 -2.788 -6.493 600 HE2 LYS 68 3HE LYS 68 -11.061 -0.870 -6.076 601 HE3 LYS 68 2HE LYS 68 -12.477 -1.907 -6.244 602 HZ1 LYS 68 3HZ LYS 68 -11.820 -2.352 -8.533 603 HZ2 LYS 68 1HZ LYS 68 -10.490 -1.320 -8.370 604 HZ3 LYS 68 2HZ LYS 68 -12.063 -0.700 -8.275 605 H GLU 69 H GLU 69 -11.081 -4.533 -1.848 606 HA GLU 69 HA GLU 69 -13.729 -3.784 -1.339 607 HB2 GLU 69 3HB GLU 69 -13.725 -5.876 0.203 608 HB3 GLU 69 2HB GLU 69 -12.070 -6.103 -0.341 609 HG2 GLU 69 3HG GLU 69 -12.731 -6.500 -2.556 610 HG3 GLU 69 2HG GLU 69 -14.359 -5.877 -2.266 611 H LEU 70 H LEU 70 -11.103 -4.317 1.013 612 HA LEU 70 HA LEU 70 -12.561 -3.560 3.300 613 HB2 LEU 70 3HB LEU 70 -10.278 -3.264 4.336 614 HB3 LEU 70 2HB LEU 70 -9.593 -3.581 2.752 615 HG LEU 70 HG LEU 70 -10.694 -5.830 2.780 616 HD11 LEU 70 1HD1 LEU 70 -9.162 -6.850 4.402 617 HD12 LEU 70 2HD1 LEU 70 -8.831 -5.256 5.084 618 HD13 LEU 70 3HD1 LEU 70 -8.363 -5.619 3.424 619 HD21 LEU 70 3HD2 LEU 70 -12.522 -5.320 4.313 620 HD22 LEU 70 1HD2 LEU 70 -11.372 -5.092 5.631 621 HD23 LEU 70 2HD2 LEU 70 -11.575 -6.684 4.901 622 H ALA 71 H ALA 71 -10.445 -1.663 1.177 623 HA ALA 71 HA ALA 71 -10.516 0.753 2.611 624 HB1 ALA 71 3HB ALA 71 -9.773 1.806 0.551 625 HB2 ALA 71 1HB ALA 71 -10.248 0.378 -0.373 626 HB3 ALA 71 2HB ALA 71 -8.932 0.275 0.796 627 H GLN 72 H GLN 72 -12.678 -0.475 0.068 628 HA GLN 72 HA GLN 72 -14.273 1.875 -0.109 629 HB2 GLN 72 3HB GLN 72 -15.894 0.345 -1.304 630 HB3 GLN 72 2HB GLN 72 -14.787 -0.978 -0.963 631 HG2 GLN 72 3HG GLN 72 -13.021 0.215 -2.219 632 HG3 GLN 72 2HG GLN 72 -14.186 1.477 -2.608 633 HE21 GLN 72 2HE2 GLN 72 -14.222 -2.051 -4.600 634 HE22 GLN 72 1HE2 GLN 72 -13.242 -1.813 -3.197 635 H LYS 73 H LYS 73 -14.726 -1.199 1.666 636 HA LYS 73 HA LYS 73 -17.310 -0.543 2.645 637 HB2 LYS 73 3HB LYS 73 -16.907 -2.382 4.306 638 HB3 LYS 73 2HB LYS 73 -15.271 -2.521 3.674 639 HG2 LYS 73 3HG LYS 73 -16.059 -3.246 1.548 640 HG3 LYS 73 2HG LYS 73 -17.724 -2.831 1.954 641 HD2 LYS 73 3HD LYS 73 -17.486 -5.216 2.117 642 HD3 LYS 73 2HD LYS 73 -17.667 -4.565 3.744 643 HE2 LYS 73 3HE LYS 73 -15.952 -6.206 3.847 644 HE3 LYS 73 2HE LYS 73 -15.157 -4.637 3.949 645 HZ1 LYS 73 3HZ LYS 73 -13.966 -6.072 2.448 646 HZ2 LYS 73 1HZ LYS 73 -14.665 -4.807 1.568 647 HZ3 LYS 73 2HZ LYS 73 -15.360 -6.348 1.531 648 H MET 74 H MET 74 -14.133 0.367 3.728 649 HA MET 74 HA MET 74 -15.328 1.613 6.124 650 HB2 MET 74 3HB MET 74 -12.924 1.939 6.851 651 HB3 MET 74 2HB MET 74 -12.450 0.947 5.477 652 HG2 MET 74 3HG MET 74 -13.700 -0.932 6.361 653 HG3 MET 74 2HG MET 74 -14.290 0.056 7.696 654 HE1 MET 74 3HE MET 74 -9.902 -1.255 7.168 655 HE2 MET 74 1HE MET 74 -10.691 -0.106 6.088 656 HE3 MET 74 2HE MET 74 -11.220 -1.788 6.125 657 H GLU 75 H GLU 75 -14.900 2.454 3.060 658 HA GLU 75 HA GLU 75 -14.746 4.399 1.895 659 HB2 GLU 75 3HB GLU 75 -15.727 6.373 2.960 660 HB3 GLU 75 2HB GLU 75 -15.562 5.622 4.542 661 HG2 GLU 75 3HG GLU 75 -17.106 3.825 3.792 662 HG3 GLU 75 2HG GLU 75 -17.342 4.710 2.286 663 H ILE 76 H ILE 76 -12.342 4.046 1.841 664 HA ILE 76 HA ILE 76 -10.966 6.347 3.092 665 HB ILE 76 HB ILE 76 -9.723 3.611 2.697 666 HG12 ILE 76 3HG1 ILE 76 -11.423 3.567 4.482 667 HG13 ILE 76 2HG1 ILE 76 -10.663 4.955 5.252 668 HG21 ILE 76 1HG2 ILE 76 -7.865 4.526 4.023 669 HG22 ILE 76 2HG2 ILE 76 -8.680 6.090 4.082 670 HG23 ILE 76 3HG2 ILE 76 -8.118 5.445 2.539 671 HD11 ILE 76 3HD1 ILE 76 -10.079 2.915 6.393 672 HD12 ILE 76 1HD1 ILE 76 -8.649 3.626 5.648 673 HD13 ILE 76 2HD1 ILE 76 -9.435 2.234 4.900 674 H ASP 77 H ASP 77 -9.627 7.514 1.781 675 HA ASP 77 HA ASP 77 -9.694 7.027 -1.056 676 HB2 ASP 77 3HB ASP 77 -8.106 9.118 0.463 677 HB3 ASP 77 2HB ASP 77 -9.789 9.313 -0.012 678 H VAL 78 H VAL 78 -8.478 5.336 -1.761 679 HA VAL 78 HA VAL 78 -5.592 5.355 -1.143 680 HB VAL 78 HB VAL 78 -5.516 2.950 -0.868 681 HG11 VAL 78 1HG1 VAL 78 -5.945 4.325 1.131 682 HG12 VAL 78 2HG1 VAL 78 -6.643 2.710 1.267 683 HG13 VAL 78 3HG1 VAL 78 -7.679 4.091 0.905 684 HG21 VAL 78 3HG2 VAL 78 -8.511 2.992 -1.276 685 HG22 VAL 78 1HG2 VAL 78 -7.574 1.588 -0.763 686 HG23 VAL 78 2HG2 VAL 78 -7.312 2.286 -2.360 687 H ARG 79 H ARG 79 -4.282 4.101 -2.651 688 HA ARG 79 HA ARG 79 -5.496 3.755 -5.326 689 HB2 ARG 79 3HB ARG 79 -3.084 3.772 -6.123 690 HB3 ARG 79 2HB ARG 79 -2.630 4.273 -4.502 691 HG2 ARG 79 3HG ARG 79 -3.866 6.324 -4.728 692 HG3 ARG 79 2HG ARG 79 -4.499 5.807 -6.295 693 HD2 ARG 79 3HD ARG 79 -2.150 5.707 -7.139 694 HD3 ARG 79 2HD ARG 79 -1.618 6.404 -5.607 695 HE ARG 79 HE ARG 79 -3.546 8.103 -6.580 696 HH11 ARG 79 1HH1 ARG 79 -0.469 6.959 -7.634 697 HH12 ARG 79 2HH1 ARG 79 -0.137 8.382 -8.548 698 HH21 ARG 79 2HH2 ARG 79 -1.613 10.055 -8.592 699 HH22 ARG 79 1HH2 ARG 79 -3.100 9.923 -7.724 700 H THR 80 H THR 80 -6.084 1.649 -5.546 701 HA THR 80 HA THR 80 -4.414 -0.452 -4.366 702 HB THR 80 HB THR 80 -6.956 -0.937 -5.929 703 HG1 THR 80 HG1 THR 80 -6.647 -0.067 -3.237 704 HG21 THR 80 3HG2 THR 80 -7.111 -2.903 -4.484 705 HG22 THR 80 1HG2 THR 80 -5.652 -2.409 -3.630 706 HG23 THR 80 2HG2 THR 80 -5.561 -2.879 -5.327 707 H ARG 81 H ARG 81 -2.638 -0.782 -5.623 708 HA ARG 81 HA ARG 81 -3.011 -1.111 -8.542 709 HB2 ARG 81 3HB ARG 81 -0.680 -0.385 -8.799 710 HB3 ARG 81 2HB ARG 81 -0.517 -0.248 -7.055 711 HG2 ARG 81 3HG ARG 81 -0.769 1.943 -7.914 712 HG3 ARG 81 2HG ARG 81 -2.272 1.528 -7.095 713 HD2 ARG 81 3HD ARG 81 -1.883 1.279 -10.075 714 HD3 ARG 81 2HD ARG 81 -2.537 2.717 -9.294 715 HE ARG 81 HE ARG 81 -4.156 0.804 -8.363 716 HH11 ARG 81 1HH1 ARG 81 -3.133 1.563 -11.566 717 HH12 ARG 81 2HH1 ARG 81 -4.589 0.967 -12.275 718 HH21 ARG 81 2HH2 ARG 81 -6.194 0.124 -11.003 719 HH22 ARG 81 1HH2 ARG 81 -6.004 0.060 -9.284 720 H LYS 82 H LYS 82 -1.984 -2.824 -9.590 721 HA LYS 82 HA LYS 82 -0.947 -4.979 -7.869 722 HB2 LYS 82 3HB LYS 82 -1.879 -5.127 -10.753 723 HB3 LYS 82 2HB LYS 82 -2.879 -5.503 -9.355 724 HG2 LYS 82 3HG LYS 82 -1.503 -7.385 -8.785 725 HG3 LYS 82 2HG LYS 82 -0.312 -6.947 -10.012 726 HD2 LYS 82 3HD LYS 82 -3.169 -7.736 -10.609 727 HD3 LYS 82 2HD LYS 82 -1.787 -8.831 -10.688 728 HE2 LYS 82 3HE LYS 82 -0.752 -7.369 -12.388 729 HE3 LYS 82 2HE LYS 82 -2.181 -6.337 -12.346 730 HZ1 LYS 82 3HZ LYS 82 -3.514 -8.189 -13.109 731 HZ2 LYS 82 1HZ LYS 82 -2.162 -9.207 -13.113 732 HZ3 LYS 82 2HZ LYS 82 -2.245 -7.905 -14.188 733 H VAL 83 H VAL 83 1.119 -5.704 -8.053 734 HA VAL 83 HA VAL 83 2.760 -4.791 -10.321 735 HB VAL 83 HB VAL 83 4.690 -4.488 -8.800 736 HG11 VAL 83 1HG1 VAL 83 3.979 -2.356 -7.814 737 HG12 VAL 83 2HG1 VAL 83 2.293 -2.789 -8.102 738 HG13 VAL 83 3HG1 VAL 83 3.385 -2.544 -9.465 739 HG21 VAL 83 3HG2 VAL 83 2.665 -4.850 -6.582 740 HG22 VAL 83 1HG2 VAL 83 4.340 -4.336 -6.376 741 HG23 VAL 83 2HG2 VAL 83 3.983 -5.954 -6.976 742 H THR 84 H THR 84 4.013 -6.325 -11.240 743 HA THR 84 HA THR 84 4.253 -8.946 -9.887 744 HB THR 84 HB THR 84 4.607 -9.877 -12.202 745 HG1 THR 84 HG1 THR 84 4.670 -8.546 -13.852 746 HG21 THR 84 3HG2 THR 84 2.233 -9.804 -12.840 747 HG22 THR 84 1HG2 THR 84 1.974 -8.464 -11.724 748 HG23 THR 84 2HG2 THR 84 2.425 -10.054 -11.104 749 H SER 85 H SER 85 6.012 -6.318 -10.225 750 HA SER 85 HA SER 85 8.552 -7.763 -10.229 751 HB2 SER 85 3HB SER 85 9.608 -6.143 -11.776 752 HB3 SER 85 2HB SER 85 8.046 -5.367 -12.025 753 HG SER 85 HG SER 85 9.076 -7.520 -13.249 754 HA PRO 86 HA PRO 86 9.383 -5.026 -6.797 755 HB2 PRO 86 2HB PRO 86 12.137 -4.799 -7.138 756 HB3 PRO 86 3HB PRO 86 11.325 -6.104 -6.271 757 HG2 PRO 86 3HG PRO 86 12.414 -7.356 -7.897 758 HG3 PRO 86 2HG PRO 86 12.340 -6.041 -9.085 759 HD2 PRO 86 3HD PRO 86 10.193 -7.973 -8.263 760 HD3 PRO 86 2HD PRO 86 10.620 -7.387 -9.886 761 H ASP 87 H ASP 87 10.922 -4.340 -9.916 762 HA ASP 87 HA ASP 87 11.521 -1.627 -9.483 763 HB2 ASP 87 3HB ASP 87 11.886 -1.504 -11.860 764 HB3 ASP 87 2HB ASP 87 10.880 -2.924 -12.141 765 H GLU 88 H GLU 88 8.578 -3.208 -10.630 766 HA GLU 88 HA GLU 88 7.165 -0.903 -11.433 767 HB2 GLU 88 3HB GLU 88 5.117 -2.297 -11.033 768 HB3 GLU 88 2HB GLU 88 6.150 -3.536 -10.334 769 HG2 GLU 88 3HG GLU 88 5.619 -4.123 -12.599 770 HG3 GLU 88 2HG GLU 88 7.334 -3.739 -12.486 771 H ALA 89 H ALA 89 7.109 -2.663 -8.318 772 HA ALA 89 HA ALA 89 5.455 -0.938 -6.883 773 HB1 ALA 89 3HB ALA 89 6.477 -1.873 -4.870 774 HB2 ALA 89 1HB ALA 89 7.808 -2.520 -5.831 775 HB3 ALA 89 2HB ALA 89 6.170 -3.136 -6.062 776 H LYS 90 H LYS 90 8.993 -0.836 -7.254 777 HA LYS 90 HA LYS 90 9.546 1.449 -5.747 778 HB2 LYS 90 3HB LYS 90 11.565 1.661 -7.205 779 HB3 LYS 90 2HB LYS 90 10.886 0.437 -8.269 780 HG2 LYS 90 3HG LYS 90 10.864 -1.101 -6.231 781 HG3 LYS 90 2HG LYS 90 11.886 0.106 -5.450 782 HD2 LYS 90 3HD LYS 90 12.529 -1.284 -8.055 783 HD3 LYS 90 2HD LYS 90 13.182 -1.733 -6.482 784 HE2 LYS 90 3HE LYS 90 13.536 1.015 -7.661 785 HE3 LYS 90 2HE LYS 90 14.669 -0.304 -7.950 786 HZ1 LYS 90 3HZ LYS 90 13.960 0.771 -5.276 787 HZ2 LYS 90 1HZ LYS 90 15.375 1.119 -6.130 788 HZ3 LYS 90 2HZ LYS 90 15.079 -0.455 -5.594 789 H ARG 91 H ARG 91 8.473 1.142 -9.103 790 HA ARG 91 HA ARG 91 8.719 3.898 -9.778 791 HB2 ARG 91 3HB ARG 91 7.083 1.695 -11.056 792 HB3 ARG 91 2HB ARG 91 8.729 2.141 -11.475 793 HG2 ARG 91 3HG ARG 91 7.901 4.372 -12.185 794 HG3 ARG 91 2HG ARG 91 6.255 3.819 -11.872 795 HD2 ARG 91 3HD ARG 91 6.593 1.991 -13.506 796 HD3 ARG 91 2HD ARG 91 8.197 2.632 -13.858 797 HE ARG 91 HE ARG 91 5.745 4.206 -14.324 798 HH11 ARG 91 1HH1 ARG 91 8.805 3.010 -15.376 799 HH12 ARG 91 2HH1 ARG 91 8.718 3.822 -16.901 800 HH21 ARG 91 2HH2 ARG 91 6.951 5.075 -17.410 801 HH22 ARG 91 1HH2 ARG 91 5.646 5.239 -16.285 802 H TRP 92 H TRP 92 5.955 1.920 -8.684 803 HA TRP 92 HA TRP 92 4.010 3.959 -8.891 804 HB2 TRP 92 3HB TRP 92 2.753 2.531 -7.165 805 HB3 TRP 92 2HB TRP 92 4.125 1.430 -7.257 806 HD1 TRP 92 HD1 TRP 92 4.046 -0.334 -9.166 807 HE1 TRP 92 HE1 TRP 92 2.549 -0.720 -11.227 808 HE3 TRP 92 HE3 TRP 92 1.343 4.002 -9.031 809 HZ2 TRP 92 HZ2 TRP 92 0.503 0.637 -12.611 810 HZ3 TRP 92 HZ3 TRP 92 -0.362 4.384 -10.760 811 HH2 TRP 92 HH2 TRP 92 -0.773 2.734 -12.517 812 H ILE 93 H ILE 93 5.904 2.871 -6.047 813 HA ILE 93 HA ILE 93 4.949 4.756 -4.216 814 HB ILE 93 HB ILE 93 7.729 3.565 -4.399 815 HG12 ILE 93 3HG1 ILE 93 5.925 1.902 -4.192 816 HG13 ILE 93 2HG1 ILE 93 5.293 2.749 -2.782 817 HG21 ILE 93 1HG2 ILE 93 7.764 5.575 -3.009 818 HG22 ILE 93 2HG2 ILE 93 7.959 4.133 -2.015 819 HG23 ILE 93 3HG2 ILE 93 6.403 4.963 -2.064 820 HD11 ILE 93 3HD1 ILE 93 7.978 1.410 -2.964 821 HD12 ILE 93 1HD1 ILE 93 6.550 0.782 -2.142 822 HD13 ILE 93 2HD1 ILE 93 7.330 2.250 -1.554 823 H LYS 94 H LYS 94 7.441 5.050 -6.689 824 HA LYS 94 HA LYS 94 8.393 7.616 -6.075 825 HB2 LYS 94 3HB LYS 94 8.347 5.870 -8.486 826 HB3 LYS 94 2HB LYS 94 9.712 6.579 -7.638 827 HG2 LYS 94 3HG LYS 94 9.191 8.766 -8.647 828 HG3 LYS 94 2HG LYS 94 7.851 8.023 -9.523 829 HD2 LYS 94 3HD LYS 94 9.665 6.385 -10.418 830 HD3 LYS 94 2HD LYS 94 10.804 7.628 -9.896 831 HE2 LYS 94 3HE LYS 94 8.571 7.924 -11.901 832 HE3 LYS 94 2HE LYS 94 10.302 7.971 -12.221 833 HZ1 LYS 94 3HZ LYS 94 8.779 9.960 -10.632 834 HZ2 LYS 94 1HZ LYS 94 9.374 10.182 -12.198 835 HZ3 LYS 94 2HZ LYS 94 10.448 10.001 -10.907 836 H GLU 95 H GLU 95 5.830 6.715 -8.448 837 HA GLU 95 HA GLU 95 5.298 9.434 -9.100 838 HB2 GLU 95 3HB GLU 95 4.882 7.598 -10.681 839 HB3 GLU 95 2HB GLU 95 3.470 8.614 -10.461 840 HG2 GLU 95 3HG GLU 95 3.746 6.064 -8.915 841 HG3 GLU 95 2HG GLU 95 3.194 6.044 -10.587 842 H PHE 96 H PHE 96 3.818 7.193 -6.822 843 HA PHE 96 HA PHE 96 1.611 8.765 -6.064 844 HB2 PHE 96 3HB PHE 96 3.241 6.821 -4.409 845 HB3 PHE 96 2HB PHE 96 1.858 6.414 -5.417 846 HD1 PHE 96 HD1 PHE 96 2.922 7.315 -2.156 847 HD2 PHE 96 HD2 PHE 96 -0.389 7.551 -4.828 848 HE1 PHE 96 HE1 PHE 96 1.410 7.664 -0.246 849 HE2 PHE 96 HE2 PHE 96 -1.904 7.906 -2.923 850 HZ PHE 96 HZ PHE 96 -1.005 7.960 -0.629 851 H SER 97 H SER 97 4.949 8.689 -4.817 852 HA SER 97 HA SER 97 4.607 10.699 -2.849 853 HB2 SER 97 3HB SER 97 7.124 9.940 -4.363 854 HB3 SER 97 2HB SER 97 6.569 9.218 -2.854 855 HG SER 97 HG SER 97 7.424 10.825 -1.807 856 H GLU 98 H GLU 98 5.319 10.840 -6.295 857 HA GLU 98 HA GLU 98 6.020 13.577 -6.426 858 HB2 GLU 98 3HB GLU 98 5.554 13.376 -8.857 859 HB3 GLU 98 2HB GLU 98 4.862 11.784 -8.571 860 HG2 GLU 98 3HG GLU 98 6.988 10.925 -7.845 861 HG3 GLU 98 2HG GLU 98 7.707 12.530 -7.919 862 H GLU 99 H GLU 99 2.984 12.165 -5.791 863 HA GLU 99 HA GLU 99 1.279 14.206 -6.760 864 HB2 GLU 99 3HB GLU 99 -0.160 13.558 -4.717 865 HB3 GLU 99 2HB GLU 99 1.060 12.334 -4.404 866 HG2 GLU 99 3HG GLU 99 0.501 11.101 -6.286 867 HG3 GLU 99 2HG GLU 99 -0.275 12.476 -7.078 868 H GLY 100 H GLY 100 3.138 13.901 -3.746 869 HA2 GLY 100 3HA GLY 100 3.164 16.658 -3.148 870 HA3 GLY 100 2HA GLY 100 3.483 15.364 -2.001 871 H GLY 101 H GLY 101 0.725 14.275 -2.716 872 HA2 GLY 101 3HA GLY 101 -0.790 15.785 -0.757 873 HA3 GLY 101 2HA GLY 101 -1.293 14.303 -1.555 874 H SER 102 H SER 102 -1.949 14.519 -3.885 875 HA SER 102 HA SER 102 -2.608 17.128 -4.892 876 HB2 SER 102 3HB SER 102 -3.535 15.988 -6.810 877 HB3 SER 102 2HB SER 102 -3.608 14.461 -5.931 878 HG SER 102 HG SER 102 -1.613 14.103 -6.426 879 H LEU 103 H LEU 103 -4.015 18.071 -3.359 880 HA LEU 103 HA LEU 103 -6.593 16.833 -2.843 881 HB2 LEU 103 3HB LEU 103 -7.084 18.988 -1.669 882 HB3 LEU 103 2HB LEU 103 -5.499 19.564 -2.151 883 HG LEU 103 HG LEU 103 -4.438 17.790 -0.824 884 HD11 LEU 103 1HD1 LEU 103 -6.470 19.406 0.716 885 HD12 LEU 103 2HD1 LEU 103 -4.855 19.933 0.239 886 HD13 LEU 103 3HD1 LEU 103 -5.046 18.623 1.404 887 HD21 LEU 103 3HD2 LEU 103 -5.772 16.379 0.660 888 HD22 LEU 103 1HD2 LEU 103 -6.186 16.089 -1.029 889 HD23 LEU 103 2HD2 LEU 103 -7.255 17.057 -0.011 890 H GLU 104 H GLU 104 -5.245 18.466 -5.373 891 HA GLU 104 HA GLU 104 -7.604 19.967 -6.177 892 HB2 GLU 104 3HB GLU 104 -6.225 20.745 -8.035 893 HB3 GLU 104 2HB GLU 104 -4.978 19.575 -7.636 894 HG2 GLU 104 3HG GLU 104 -5.824 21.841 -5.833 895 HG3 GLU 104 2HG GLU 104 -4.458 21.902 -6.942 896 H HIS 105 H HIS 105 -9.227 18.691 -6.943 897 HA HIS 105 HA HIS 105 -8.596 16.949 -9.248 898 HB2 HIS 105 3HB HIS 105 -10.299 15.351 -8.537 899 HB3 HIS 105 2HB HIS 105 -10.690 16.345 -7.140 900 HD1 HIS 105 HD1 HIS 105 -9.518 15.802 -5.038 901 HD2 HIS 105 HD2 HIS 105 -7.578 14.213 -8.351 902 HE1 HIS 105 HE1 HIS 105 -7.697 14.343 -4.116 903 HE2 HIS 105 HE2 HIS 105 -6.472 13.481 -6.131 904 H HIS 106 H HIS 106 -10.829 16.347 -10.347 905 HA HIS 106 HA HIS 106 -12.443 18.768 -10.673 906 HB2 HIS 106 3HB HIS 106 -13.550 17.461 -12.498 907 HB3 HIS 106 2HB HIS 106 -12.492 16.105 -12.121 908 HD1 HIS 106 HD1 HIS 106 -10.120 16.170 -13.048 909 HD2 HIS 106 HD2 HIS 106 -12.226 19.695 -13.686 910 HE1 HIS 106 HE1 HIS 106 -8.705 17.528 -14.612 911 HE2 HIS 106 HE2 HIS 106 -9.944 19.697 -14.896 912 H HIS 107 H HIS 107 -14.574 18.927 -10.008 913 HA HIS 107 HA HIS 107 -15.137 17.557 -7.626 914 HB2 HIS 107 3HB HIS 107 -17.023 19.248 -9.281 915 HB3 HIS 107 2HB HIS 107 -15.885 19.855 -8.082 916 HD1 HIS 107 HD1 HIS 107 -19.323 19.069 -8.386 917 HD2 HIS 107 HD2 HIS 107 -16.471 18.494 -5.422 918 HE1 HIS 107 HE1 HIS 107 -20.616 18.673 -6.276 919 HE2 HIS 107 HE2 HIS 107 -18.873 18.071 -4.572 920 H HIS 108 H HIS 108 -15.404 15.379 -7.760 921 HA HIS 108 HA HIS 108 -17.954 14.474 -8.944 922 HB2 HIS 108 3HB HIS 108 -16.637 12.149 -8.927 923 HB3 HIS 108 2HB HIS 108 -15.247 13.208 -9.092 924 HD1 HIS 108 HD1 HIS 108 -14.579 13.022 -11.473 925 HD2 HIS 108 HD2 HIS 108 -18.695 13.396 -11.042 926 HE1 HIS 108 HE1 HIS 108 -15.492 13.131 -13.806 927 HE2 HIS 108 HE2 HIS 108 -17.988 13.155 -13.519 928 H HIS 109 H HIS 109 -18.837 12.490 -7.823 929 HA HIS 109 HA HIS 109 -18.498 12.792 -4.920 930 HB2 HIS 109 3HB HIS 109 -20.596 11.457 -4.772 931 HB3 HIS 109 2HB HIS 109 -20.627 11.362 -6.530 932 HD1 HIS 109 HD1 HIS 109 -21.496 13.376 -7.805 933 HD2 HIS 109 HD2 HIS 109 -21.183 14.034 -3.715 934 HE1 HIS 109 HE1 HIS 109 -22.694 15.538 -7.378 935 HE2 HIS 109 HE2 HIS 109 -22.580 15.866 -4.890 936 H HIS 110 H HIS 110 -17.846 10.534 -7.472 937 HA HIS 110 HA HIS 110 -16.641 8.681 -5.541 938 HB2 HIS 110 3HB HIS 110 -18.606 7.869 -7.700 939 HB3 HIS 110 2HB HIS 110 -18.838 7.732 -5.962 940 HD1 HIS 110 HD1 HIS 110 -16.804 6.223 -8.761 941 HD2 HIS 110 HD2 HIS 110 -17.883 5.414 -4.832 942 HE1 HIS 110 HE1 HIS 110 -16.041 3.872 -8.326 943 HE2 HIS 110 HE2 HIS 110 -16.896 3.342 -6.024 Start of MODEL 10 1 H1 MET 1 1H MET 1 -0.381 17.035 5.901 2 H2 MET 1 2H MET 1 -0.920 18.044 4.658 3 H3 MET 1 3H MET 1 0.629 17.371 4.583 4 HA MET 1 HA MET 1 -1.951 15.908 4.427 5 HB2 MET 1 3HB MET 1 0.219 16.098 2.326 6 HB3 MET 1 2HB MET 1 -1.106 17.250 2.409 7 HG2 MET 1 3HG MET 1 -1.450 14.273 2.079 8 HG3 MET 1 2HG MET 1 -1.465 15.446 0.759 9 HE1 MET 1 3HE MET 1 -3.818 13.367 1.298 10 HE2 MET 1 1HE MET 1 -3.877 14.545 -0.013 11 HE3 MET 1 2HE MET 1 -5.242 14.386 1.092 12 H LEU 2 H LEU 2 -1.844 13.647 4.508 13 HA LEU 2 HA LEU 2 0.755 12.542 5.378 14 HB2 LEU 2 3HB LEU 2 -0.475 10.863 6.628 15 HB3 LEU 2 2HB LEU 2 -1.999 11.466 6.007 16 HG LEU 2 HG LEU 2 -0.237 13.279 7.629 17 HD11 LEU 2 1HD1 LEU 2 -2.379 14.276 8.265 18 HD12 LEU 2 2HD1 LEU 2 -3.224 13.087 7.272 19 HD13 LEU 2 3HD1 LEU 2 -2.150 14.266 6.517 20 HD21 LEU 2 3HD2 LEU 2 -0.402 11.244 8.956 21 HD22 LEU 2 1HD2 LEU 2 -2.158 11.256 8.780 22 HD23 LEU 2 2HD2 LEU 2 -1.350 12.544 9.676 23 H LEU 3 H LEU 3 1.599 10.771 4.376 24 HA LEU 3 HA LEU 3 -0.001 9.447 2.274 25 HB2 LEU 3 3HB LEU 3 2.068 9.373 0.879 26 HB3 LEU 3 2HB LEU 3 2.865 10.387 2.065 27 HG LEU 3 HG LEU 3 1.152 12.170 1.592 28 HD11 LEU 3 1HD1 LEU 3 3.373 12.236 0.570 29 HD12 LEU 3 2HD1 LEU 3 2.147 12.872 -0.526 30 HD13 LEU 3 3HD1 LEU 3 2.794 11.249 -0.773 31 HD21 LEU 3 3HD2 LEU 3 0.389 10.329 -0.671 32 HD22 LEU 3 1HD2 LEU 3 -0.162 11.992 -0.465 33 HD23 LEU 3 2HD2 LEU 3 -0.619 10.760 0.710 34 H TYR 4 H TYR 4 -0.088 7.292 2.554 35 HA TYR 4 HA TYR 4 2.147 5.916 3.915 36 HB2 TYR 4 3HB TYR 4 0.385 4.401 4.943 37 HB3 TYR 4 2HB TYR 4 -0.817 5.571 4.409 38 HD1 TYR 4 HD1 TYR 4 -0.709 7.932 5.329 39 HD2 TYR 4 HD2 TYR 4 1.614 4.746 6.933 40 HE1 TYR 4 HE1 TYR 4 -0.354 9.230 7.385 41 HE2 TYR 4 HE2 TYR 4 1.972 6.038 8.991 42 HH TYR 4 HH TYR 4 1.910 8.230 9.826 43 H VAL 5 H VAL 5 2.377 3.644 3.432 44 HA VAL 5 HA VAL 5 1.109 2.799 0.896 45 HB VAL 5 HB VAL 5 4.027 2.417 1.635 46 HG11 VAL 5 1HG1 VAL 5 3.181 0.514 0.378 47 HG12 VAL 5 2HG1 VAL 5 4.264 1.475 -0.630 48 HG13 VAL 5 3HG1 VAL 5 2.516 1.591 -0.851 49 HG21 VAL 5 3HG2 VAL 5 3.559 4.723 0.976 50 HG22 VAL 5 1HG2 VAL 5 2.772 4.158 -0.499 51 HG23 VAL 5 2HG2 VAL 5 4.501 3.902 -0.268 52 H LEU 6 H LEU 6 0.196 0.836 0.967 53 HA LEU 6 HA LEU 6 1.012 -1.084 3.060 54 HB2 LEU 6 3HB LEU 6 -1.230 -2.118 2.718 55 HB3 LEU 6 2HB LEU 6 -1.618 -0.840 1.581 56 HG LEU 6 HG LEU 6 -1.451 0.824 3.390 57 HD11 LEU 6 1HD1 LEU 6 -3.618 -0.220 2.909 58 HD12 LEU 6 2HD1 LEU 6 -3.458 0.194 4.615 59 HD13 LEU 6 3HD1 LEU 6 -3.273 -1.482 4.092 60 HD21 LEU 6 3HD2 LEU 6 -1.217 0.106 5.714 61 HD22 LEU 6 1HD2 LEU 6 0.214 -0.312 4.774 62 HD23 LEU 6 2HD2 LEU 6 -0.965 -1.556 5.184 63 H ILE 7 H ILE 7 2.213 -2.737 2.310 64 HA ILE 7 HA ILE 7 1.922 -3.483 -0.535 65 HB ILE 7 HB ILE 7 4.127 -2.594 -0.015 66 HG12 ILE 7 3HG1 ILE 7 3.888 -4.383 -1.723 67 HG13 ILE 7 2HG1 ILE 7 4.234 -5.589 -0.488 68 HG21 ILE 7 1HG2 ILE 7 4.243 -3.152 2.356 69 HG22 ILE 7 2HG2 ILE 7 5.667 -3.745 1.500 70 HG23 ILE 7 3HG2 ILE 7 4.385 -4.866 1.959 71 HD11 ILE 7 3HD1 ILE 7 6.113 -3.432 -1.415 72 HD12 ILE 7 1HD1 ILE 7 6.184 -5.140 -1.846 73 HD13 ILE 7 2HD1 ILE 7 6.457 -4.642 -0.178 74 H ILE 8 H ILE 8 1.022 -5.367 -0.960 75 HA ILE 8 HA ILE 8 1.056 -7.520 1.055 76 HB ILE 8 HB ILE 8 -0.750 -7.217 -1.364 77 HG12 ILE 8 3HG1 ILE 8 -1.136 -5.474 0.374 78 HG13 ILE 8 2HG1 ILE 8 -1.365 -6.743 1.572 79 HG21 ILE 8 1HG2 ILE 8 -2.058 -9.029 -0.355 80 HG22 ILE 8 2HG2 ILE 8 -0.885 -9.154 0.957 81 HG23 ILE 8 3HG2 ILE 8 -0.408 -9.552 -0.694 82 HD11 ILE 8 3HD1 ILE 8 -3.491 -5.882 0.861 83 HD12 ILE 8 1HD1 ILE 8 -3.315 -7.550 0.320 84 HD13 ILE 8 2HD1 ILE 8 -3.103 -6.224 -0.824 85 H SER 9 H SER 9 2.771 -8.832 0.696 86 HA SER 9 HA SER 9 3.065 -10.207 -1.821 87 HB2 SER 9 3HB SER 9 5.234 -8.284 -0.932 88 HB3 SER 9 2HB SER 9 4.281 -8.181 -2.411 89 HG SER 9 HG SER 9 6.572 -9.358 -2.153 90 H ASN 10 H ASN 10 4.575 -11.940 -1.757 91 HA ASN 10 HA ASN 10 5.251 -12.833 0.971 92 HB2 ASN 10 3HB ASN 10 5.365 -15.095 0.009 93 HB3 ASN 10 2HB ASN 10 5.047 -14.440 -1.595 94 HD21 ASN 10 2HD2 ASN 10 1.605 -14.071 -1.107 95 HD22 ASN 10 1HD2 ASN 10 2.975 -13.647 -2.065 96 H ASP 11 H ASP 11 6.598 -11.898 -2.070 97 HA ASP 11 HA ASP 11 9.195 -13.081 -1.672 98 HB2 ASP 11 3HB ASP 11 8.302 -10.958 -3.643 99 HB3 ASP 11 2HB ASP 11 8.266 -12.696 -3.926 100 H LYS 12 H LYS 12 10.843 -12.275 -0.552 101 HA LYS 12 HA LYS 12 10.511 -9.939 1.040 102 HB2 LYS 12 3HB LYS 12 12.941 -10.419 1.692 103 HB3 LYS 12 2HB LYS 12 12.842 -11.815 0.628 104 HG2 LYS 12 3HG LYS 12 11.088 -11.307 3.032 105 HG3 LYS 12 2HG LYS 12 12.459 -12.415 2.971 106 HD2 LYS 12 3HD LYS 12 11.327 -13.776 1.297 107 HD3 LYS 12 2HD LYS 12 9.973 -12.644 1.267 108 HE2 LYS 12 3HE LYS 12 9.583 -13.133 3.679 109 HE3 LYS 12 2HE LYS 12 10.834 -14.372 3.583 110 HZ1 LYS 12 3HZ LYS 12 9.539 -15.574 1.987 111 HZ2 LYS 12 1HZ LYS 12 8.383 -14.339 1.911 112 HZ3 LYS 12 2HZ LYS 12 8.563 -15.245 3.330 113 H LYS 13 H LYS 13 12.418 -10.603 -1.880 114 HA LYS 13 HA LYS 13 14.012 -8.298 -1.887 115 HB2 LYS 13 3HB LYS 13 14.220 -8.643 -4.313 116 HB3 LYS 13 2HB LYS 13 12.855 -9.752 -4.281 117 HG2 LYS 13 3HG LYS 13 14.137 -11.293 -2.871 118 HG3 LYS 13 2HG LYS 13 15.508 -10.180 -2.910 119 HD2 LYS 13 3HD LYS 13 15.615 -10.409 -5.358 120 HD3 LYS 13 2HD LYS 13 14.264 -11.544 -5.305 121 HE2 LYS 13 3HE LYS 13 15.592 -13.089 -3.963 122 HE3 LYS 13 2HE LYS 13 16.945 -11.955 -3.979 123 HZ1 LYS 13 3HZ LYS 13 17.307 -13.607 -5.638 124 HZ2 LYS 13 1HZ LYS 13 16.956 -12.152 -6.425 125 HZ3 LYS 13 2HZ LYS 13 15.778 -13.363 -6.314 126 H LEU 14 H LEU 14 10.869 -8.863 -3.451 127 HA LEU 14 HA LEU 14 10.465 -6.327 -4.544 128 HB2 LEU 14 3HB LEU 14 8.297 -8.130 -3.453 129 HB3 LEU 14 2HB LEU 14 9.166 -8.480 -4.931 130 HG LEU 14 HG LEU 14 8.316 -6.175 -5.750 131 HD11 LEU 14 1HD1 LEU 14 7.560 -8.299 -6.656 132 HD12 LEU 14 2HD1 LEU 14 6.213 -7.169 -6.518 133 HD13 LEU 14 3HD1 LEU 14 6.398 -8.470 -5.340 134 HD21 LEU 14 3HD2 LEU 14 6.169 -5.475 -4.769 135 HD22 LEU 14 1HD2 LEU 14 7.501 -5.311 -3.627 136 HD23 LEU 14 2HD2 LEU 14 6.378 -6.663 -3.482 137 H ILE 15 H ILE 15 9.531 -7.582 -1.340 138 HA ILE 15 HA ILE 15 8.212 -5.269 -0.415 139 HB ILE 15 HB ILE 15 9.645 -7.419 1.157 140 HG12 ILE 15 3HG1 ILE 15 7.773 -8.216 -0.263 141 HG13 ILE 15 2HG1 ILE 15 6.702 -7.057 0.516 142 HG21 ILE 15 1HG2 ILE 15 7.698 -5.319 2.124 143 HG22 ILE 15 2HG2 ILE 15 9.411 -5.428 2.530 144 HG23 ILE 15 3HG2 ILE 15 8.295 -6.674 3.082 145 HD11 ILE 15 3HD1 ILE 15 6.397 -9.292 1.417 146 HD12 ILE 15 1HD1 ILE 15 7.010 -8.193 2.652 147 HD13 ILE 15 2HD1 ILE 15 8.096 -9.350 1.882 148 H GLU 16 H GLU 16 11.602 -6.294 -0.034 149 HA GLU 16 HA GLU 16 12.353 -4.139 1.647 150 HB2 GLU 16 3HB GLU 16 14.697 -4.842 1.061 151 HB3 GLU 16 2HB GLU 16 14.001 -6.011 -0.057 152 HG2 GLU 16 3HG GLU 16 12.795 -7.053 1.828 153 HG3 GLU 16 2HG GLU 16 13.565 -5.912 2.929 154 H GLU 17 H GLU 17 12.628 -4.583 -1.881 155 HA GLU 17 HA GLU 17 13.993 -2.191 -2.447 156 HB2 GLU 17 3HB GLU 17 12.936 -2.373 -4.723 157 HB3 GLU 17 2HB GLU 17 11.984 -3.722 -4.114 158 HG2 GLU 17 3HG GLU 17 13.933 -4.469 -5.387 159 HG3 GLU 17 2HG GLU 17 13.988 -5.012 -3.711 160 H ALA 18 H ALA 18 10.556 -2.851 -1.996 161 HA ALA 18 HA ALA 18 9.551 -0.301 -2.625 162 HB1 ALA 18 3HB ALA 18 8.121 -2.269 -2.363 163 HB2 ALA 18 1HB ALA 18 7.582 -0.951 -1.323 164 HB3 ALA 18 2HB ALA 18 8.476 -2.308 -0.636 165 H ARG 19 H ARG 19 10.644 -1.638 0.508 166 HA ARG 19 HA ARG 19 10.125 0.621 2.099 167 HB2 ARG 19 3HB ARG 19 11.711 -0.294 3.697 168 HB3 ARG 19 2HB ARG 19 12.425 -1.317 2.459 169 HG2 ARG 19 3HG ARG 19 10.397 -2.627 2.310 170 HG3 ARG 19 2HG ARG 19 9.590 -1.557 3.459 171 HD2 ARG 19 3HD ARG 19 10.449 -3.709 4.436 172 HD3 ARG 19 2HD ARG 19 11.020 -2.245 5.237 173 HE ARG 19 HE ARG 19 12.976 -2.785 3.430 174 HH11 ARG 19 1HH1 ARG 19 11.465 -4.665 5.890 175 HH12 ARG 19 2HH1 ARG 19 12.895 -5.579 6.218 176 HH21 ARG 19 2HH2 ARG 19 14.766 -5.169 5.101 177 HH22 ARG 19 1HH2 ARG 19 14.809 -3.939 3.883 178 H LYS 20 H LYS 20 13.008 -0.244 0.227 179 HA LYS 20 HA LYS 20 14.703 1.850 0.964 180 HB2 LYS 20 3HB LYS 20 15.772 1.457 -1.288 181 HB3 LYS 20 2HB LYS 20 14.445 0.365 -1.663 182 HG2 LYS 20 3HG LYS 20 15.122 -0.916 0.447 183 HG3 LYS 20 2HG LYS 20 16.606 0.037 0.408 184 HD2 LYS 20 3HD LYS 20 15.597 -1.817 -1.755 185 HD3 LYS 20 2HD LYS 20 16.965 -2.102 -0.681 186 HE2 LYS 20 3HE LYS 20 18.180 -0.252 -1.672 187 HE3 LYS 20 2HE LYS 20 16.795 0.144 -2.692 188 HZ1 LYS 20 3HZ LYS 20 18.378 -2.364 -2.803 189 HZ2 LYS 20 1HZ LYS 20 18.422 -1.107 -3.929 190 HZ3 LYS 20 2HZ LYS 20 17.018 -2.032 -3.750 191 H MET 21 H MET 21 12.382 1.727 -1.755 192 HA MET 21 HA MET 21 12.794 4.386 -2.622 193 HB2 MET 21 3HB MET 21 10.461 4.085 -3.646 194 HB3 MET 21 2HB MET 21 10.496 2.465 -2.962 195 HG2 MET 21 3HG MET 21 11.175 2.450 -5.295 196 HG3 MET 21 2HG MET 21 12.501 1.952 -4.247 197 HE1 MET 21 3HE MET 21 11.277 5.651 -4.604 198 HE2 MET 21 1HE MET 21 10.971 5.023 -6.226 199 HE3 MET 21 2HE MET 21 12.232 6.228 -5.972 200 H ALA 22 H ALA 22 10.521 3.007 -0.272 201 HA ALA 22 HA ALA 22 8.988 5.291 0.229 202 HB1 ALA 22 3HB ALA 22 8.397 3.063 1.073 203 HB2 ALA 22 1HB ALA 22 8.422 4.255 2.373 204 HB3 ALA 22 2HB ALA 22 9.761 3.121 2.190 205 H GLU 23 H GLU 23 12.007 4.208 1.779 206 HA GLU 23 HA GLU 23 12.364 6.347 3.552 207 HB2 GLU 23 3HB GLU 23 14.858 5.750 3.280 208 HB3 GLU 23 2HB GLU 23 14.312 4.510 2.161 209 HG2 GLU 23 3HG GLU 23 14.565 3.417 4.214 210 HG3 GLU 23 2HG GLU 23 12.828 3.666 4.044 211 H LYS 24 H LYS 24 13.419 6.000 0.168 212 HA LYS 24 HA LYS 24 14.787 8.431 -0.092 213 HB2 LYS 24 3HB LYS 24 14.351 8.229 -2.512 214 HB3 LYS 24 2HB LYS 24 13.141 6.995 -2.194 215 HG2 LYS 24 3HG LYS 24 15.223 6.002 -2.962 216 HG3 LYS 24 2HG LYS 24 14.866 5.513 -1.305 217 HD2 LYS 24 3HD LYS 24 17.223 6.033 -1.510 218 HD3 LYS 24 2HD LYS 24 16.435 7.222 -0.473 219 HE2 LYS 24 3HE LYS 24 16.301 8.770 -2.410 220 HE3 LYS 24 2HE LYS 24 17.188 7.592 -3.378 221 HZ1 LYS 24 3HZ LYS 24 19.043 7.785 -1.839 222 HZ2 LYS 24 1HZ LYS 24 18.195 8.917 -0.918 223 HZ3 LYS 24 2HZ LYS 24 18.660 9.291 -2.501 224 H ALA 25 H ALA 25 11.347 7.706 -0.321 225 HA ALA 25 HA ALA 25 10.706 10.487 -0.989 226 HB1 ALA 25 3HB ALA 25 8.897 8.080 -0.767 227 HB2 ALA 25 1HB ALA 25 9.632 8.679 -2.254 228 HB3 ALA 25 2HB ALA 25 8.453 9.669 -1.392 229 H ASN 26 H ASN 26 11.266 8.864 1.816 230 HA ASN 26 HA ASN 26 10.832 9.231 4.013 231 HB2 ASN 26 3HB ASN 26 9.502 11.799 3.097 232 HB3 ASN 26 2HB ASN 26 11.234 11.610 3.334 233 HD21 ASN 26 2HD2 ASN 26 11.095 11.782 6.831 234 HD22 ASN 26 1HD2 ASN 26 12.024 11.288 5.463 235 H LEU 27 H LEU 27 8.802 7.951 2.171 236 HA LEU 27 HA LEU 27 6.253 8.488 3.460 237 HB2 LEU 27 3HB LEU 27 5.364 6.780 1.927 238 HB3 LEU 27 2HB LEU 27 6.994 6.410 1.391 239 HG LEU 27 HG LEU 27 7.207 8.622 0.393 240 HD11 LEU 27 1HD1 LEU 27 4.630 7.268 -0.405 241 HD12 LEU 27 2HD1 LEU 27 6.247 6.848 -0.972 242 HD13 LEU 27 3HD1 LEU 27 5.546 8.411 -1.389 243 HD21 LEU 27 3HD2 LEU 27 4.411 9.111 1.425 244 HD22 LEU 27 1HD2 LEU 27 5.291 10.168 0.320 245 HD23 LEU 27 2HD2 LEU 27 5.886 9.917 1.961 246 H GLU 28 H GLU 28 5.011 6.892 4.577 247 HA GLU 28 HA GLU 28 6.650 4.964 6.068 248 HB2 GLU 28 3HB GLU 28 3.765 5.561 6.684 249 HB3 GLU 28 2HB GLU 28 4.997 6.748 7.080 250 HG2 GLU 28 3HG GLU 28 4.546 5.458 9.031 251 HG3 GLU 28 2HG GLU 28 6.157 5.049 8.453 252 H LEU 29 H LEU 29 6.283 2.758 5.979 253 HA LEU 29 HA LEU 29 4.251 1.813 4.067 254 HB2 LEU 29 3HB LEU 29 7.180 1.045 4.092 255 HB3 LEU 29 2HB LEU 29 6.391 2.056 2.902 256 HG LEU 29 HG LEU 29 4.910 -0.088 2.475 257 HD11 LEU 29 1HD1 LEU 29 6.382 0.943 0.825 258 HD12 LEU 29 2HD1 LEU 29 6.505 -0.814 0.761 259 HD13 LEU 29 3HD1 LEU 29 7.776 0.130 1.540 260 HD21 LEU 29 3HD2 LEU 29 6.194 -2.172 2.766 261 HD22 LEU 29 1HD2 LEU 29 5.794 -1.427 4.313 262 HD23 LEU 29 2HD2 LEU 29 7.425 -1.281 3.661 263 H ARG 30 H ARG 30 3.022 0.276 4.925 264 HA ARG 30 HA ARG 30 4.066 -1.374 7.141 265 HB2 ARG 30 3HB ARG 30 1.695 -1.900 7.616 266 HB3 ARG 30 2HB ARG 30 1.207 -0.910 6.254 267 HG2 ARG 30 3HG ARG 30 0.834 0.325 8.263 268 HG3 ARG 30 2HG ARG 30 2.174 1.071 7.396 269 HD2 ARG 30 3HD ARG 30 2.627 -0.926 9.603 270 HD3 ARG 30 2HD ARG 30 2.419 0.794 9.927 271 HE ARG 30 HE ARG 30 4.370 0.988 8.235 272 HH11 ARG 30 1HH1 ARG 30 3.996 -1.445 10.656 273 HH12 ARG 30 2HH1 ARG 30 5.699 -1.685 10.820 274 HH21 ARG 30 2HH2 ARG 30 7.120 -0.533 9.551 275 HH22 ARG 30 1HH2 ARG 30 6.526 0.658 8.441 276 H THR 31 H THR 31 4.412 -3.522 6.844 277 HA THR 31 HA THR 31 3.929 -4.693 4.234 278 HB THR 31 HB THR 31 5.107 -6.681 5.112 279 HG1 THR 31 HG1 THR 31 4.369 -6.325 7.362 280 HG21 THR 31 3HG2 THR 31 6.397 -4.825 4.142 281 HG22 THR 31 1HG2 THR 31 7.296 -5.638 5.422 282 HG23 THR 31 2HG2 THR 31 6.526 -4.085 5.737 283 H VAL 32 H VAL 32 2.300 -6.013 3.680 284 HA VAL 32 HA VAL 32 0.472 -6.989 5.796 285 HB VAL 32 HB VAL 32 -0.296 -6.210 2.971 286 HG11 VAL 32 1HG1 VAL 32 -1.994 -6.880 5.378 287 HG12 VAL 32 2HG1 VAL 32 -1.770 -7.884 3.946 288 HG13 VAL 32 3HG1 VAL 32 -2.600 -6.334 3.815 289 HG21 VAL 32 3HG2 VAL 32 -1.325 -4.208 3.938 290 HG22 VAL 32 1HG2 VAL 32 0.418 -4.226 4.205 291 HG23 VAL 32 2HG2 VAL 32 -0.681 -4.638 5.520 292 H LYS 33 H LYS 33 -0.293 -9.099 5.648 293 HA LYS 33 HA LYS 33 0.534 -10.685 3.293 294 HB2 LYS 33 3HB LYS 33 0.982 -12.590 4.704 295 HB3 LYS 33 2HB LYS 33 0.356 -11.756 6.120 296 HG2 LYS 33 3HG LYS 33 2.221 -10.175 6.029 297 HG3 LYS 33 2HG LYS 33 2.851 -10.998 4.599 298 HD2 LYS 33 3HD LYS 33 3.238 -13.020 5.864 299 HD3 LYS 33 2HD LYS 33 2.456 -12.324 7.286 300 HE2 LYS 33 3HE LYS 33 4.905 -12.281 7.472 301 HE3 LYS 33 2HE LYS 33 4.212 -10.661 7.482 302 HZ1 LYS 33 3HZ LYS 33 6.172 -10.762 6.089 303 HZ2 LYS 33 1HZ LYS 33 4.806 -10.434 5.150 304 HZ3 LYS 33 2HZ LYS 33 5.480 -11.982 5.146 305 H THR 34 H THR 34 -1.809 -10.408 5.956 306 HA THR 34 HA THR 34 -3.733 -12.080 4.458 307 HB THR 34 HB THR 34 -4.943 -12.361 6.581 308 HG1 THR 34 HG1 THR 34 -2.783 -11.107 7.920 309 HG21 THR 34 3HG2 THR 34 -1.997 -12.974 6.827 310 HG22 THR 34 1HG2 THR 34 -3.204 -13.987 6.036 311 HG23 THR 34 2HG2 THR 34 -3.286 -13.714 7.777 312 H GLU 35 H GLU 35 -6.048 -11.520 4.710 313 HA GLU 35 HA GLU 35 -6.730 -8.901 3.970 314 HB2 GLU 35 3HB GLU 35 -8.479 -11.008 5.285 315 HB3 GLU 35 2HB GLU 35 -8.159 -10.888 3.561 316 HG2 GLU 35 3HG GLU 35 -9.347 -8.822 3.406 317 HG3 GLU 35 2HG GLU 35 -9.499 -8.714 5.159 318 H ASP 36 H ASP 36 -6.917 -10.527 7.120 319 HA ASP 36 HA ASP 36 -8.087 -8.449 8.580 320 HB2 ASP 36 3HB ASP 36 -6.799 -9.674 10.541 321 HB3 ASP 36 2HB ASP 36 -6.480 -10.866 9.287 322 H GLU 37 H GLU 37 -4.678 -8.977 7.780 323 HA GLU 37 HA GLU 37 -3.672 -6.948 9.516 324 HB2 GLU 37 3HB GLU 37 -1.634 -7.058 8.006 325 HB3 GLU 37 2HB GLU 37 -2.505 -8.260 7.059 326 HG2 GLU 37 3HG GLU 37 -2.709 -9.646 9.118 327 HG3 GLU 37 2HG GLU 37 -1.687 -8.475 9.951 328 H LEU 38 H LEU 38 -4.352 -6.936 5.998 329 HA LEU 38 HA LEU 38 -3.858 -4.259 5.437 330 HB2 LEU 38 3HB LEU 38 -6.252 -5.712 4.309 331 HB3 LEU 38 2HB LEU 38 -4.631 -6.246 3.922 332 HG LEU 38 HG LEU 38 -5.466 -4.895 2.116 333 HD11 LEU 38 1HD1 LEU 38 -5.868 -2.674 4.115 334 HD12 LEU 38 2HD1 LEU 38 -7.142 -3.599 3.320 335 HD13 LEU 38 3HD1 LEU 38 -6.086 -2.557 2.368 336 HD21 LEU 38 3HD2 LEU 38 -3.720 -3.190 1.979 337 HD22 LEU 38 1HD2 LEU 38 -3.090 -4.711 2.609 338 HD23 LEU 38 2HD2 LEU 38 -3.406 -3.366 3.706 339 H LYS 39 H LYS 39 -6.883 -5.750 6.521 340 HA LYS 39 HA LYS 39 -8.475 -3.527 6.987 341 HB2 LYS 39 3HB LYS 39 -8.291 -6.088 8.594 342 HB3 LYS 39 2HB LYS 39 -9.183 -5.899 7.093 343 HG2 LYS 39 3HG LYS 39 -10.812 -4.530 8.095 344 HG3 LYS 39 2HG LYS 39 -9.818 -4.262 9.532 345 HD2 LYS 39 3HD LYS 39 -11.713 -5.898 9.840 346 HD3 LYS 39 2HD LYS 39 -10.116 -6.519 10.262 347 HE2 LYS 39 3HE LYS 39 -9.997 -7.564 7.989 348 HE3 LYS 39 2HE LYS 39 -11.672 -7.081 7.735 349 HZ1 LYS 39 3HZ LYS 39 -11.508 -9.368 8.477 350 HZ2 LYS 39 1HZ LYS 39 -12.316 -8.431 9.629 351 HZ3 LYS 39 2HZ LYS 39 -10.708 -8.887 9.886 352 H LYS 40 H LYS 40 -6.176 -5.109 9.183 353 HA LYS 40 HA LYS 40 -6.634 -3.708 11.529 354 HB2 LYS 40 3HB LYS 40 -4.035 -4.850 10.478 355 HB3 LYS 40 2HB LYS 40 -5.257 -5.725 11.388 356 HG2 LYS 40 3HG LYS 40 -4.820 -4.340 13.347 357 HG3 LYS 40 2HG LYS 40 -3.614 -3.424 12.439 358 HD2 LYS 40 3HD LYS 40 -2.282 -5.464 12.140 359 HD3 LYS 40 2HD LYS 40 -3.490 -6.387 13.036 360 HE2 LYS 40 3HE LYS 40 -1.627 -5.858 14.485 361 HE3 LYS 40 2HE LYS 40 -3.064 -4.989 15.019 362 HZ1 LYS 40 3HZ LYS 40 -0.817 -3.854 13.446 363 HZ2 LYS 40 1HZ LYS 40 -1.160 -3.545 15.072 364 HZ3 LYS 40 2HZ LYS 40 -2.221 -3.014 13.872 365 H TYR 41 H TYR 41 -4.269 -2.932 8.969 366 HA TYR 41 HA TYR 41 -3.275 -0.598 10.238 367 HB2 TYR 41 3HB TYR 41 -2.239 -0.080 8.075 368 HB3 TYR 41 2HB TYR 41 -3.239 -1.302 7.293 369 HD1 TYR 41 HD1 TYR 41 -0.930 -1.111 10.256 370 HD2 TYR 41 HD2 TYR 41 -2.161 -3.291 6.809 371 HE1 TYR 41 HE1 TYR 41 0.796 -2.804 10.712 372 HE2 TYR 41 HE2 TYR 41 -0.443 -4.989 7.263 373 HH TYR 41 HH TYR 41 1.680 -5.196 8.439 374 H LEU 42 H LEU 42 -5.841 -1.096 7.837 375 HA LEU 42 HA LEU 42 -6.390 1.595 7.276 376 HB2 LEU 42 3HB LEU 42 -8.680 0.788 6.654 377 HB3 LEU 42 2HB LEU 42 -8.244 -0.787 7.290 378 HG LEU 42 HG LEU 42 -6.527 -1.048 5.586 379 HD11 LEU 42 1HD1 LEU 42 -8.774 -1.782 5.022 380 HD12 LEU 42 2HD1 LEU 42 -7.960 -1.147 3.593 381 HD13 LEU 42 3HD1 LEU 42 -9.170 -0.169 4.420 382 HD21 LEU 42 3HD2 LEU 42 -6.245 0.602 3.791 383 HD22 LEU 42 1HD2 LEU 42 -5.814 1.270 5.367 384 HD23 LEU 42 2HD2 LEU 42 -7.356 1.693 4.620 385 H GLU 43 H GLU 43 -7.601 -0.494 9.885 386 HA GLU 43 HA GLU 43 -9.552 1.147 10.986 387 HB2 GLU 43 3HB GLU 43 -9.027 0.042 13.162 388 HB3 GLU 43 2HB GLU 43 -7.581 -0.645 12.434 389 HG2 GLU 43 3HG GLU 43 -8.971 -1.865 10.828 390 HG3 GLU 43 2HG GLU 43 -10.419 -1.182 11.564 391 H GLU 44 H GLU 44 -6.044 1.254 11.500 392 HA GLU 44 HA GLU 44 -6.085 3.454 13.310 393 HB2 GLU 44 3HB GLU 44 -3.853 2.388 11.557 394 HB3 GLU 44 2HB GLU 44 -4.176 1.935 13.226 395 HG2 GLU 44 3HG GLU 44 -3.702 4.246 13.929 396 HG3 GLU 44 2HG GLU 44 -3.332 4.663 12.258 397 H PHE 45 H PHE 45 -5.406 3.215 9.814 398 HA PHE 45 HA PHE 45 -4.702 5.872 9.360 399 HB2 PHE 45 3HB PHE 45 -5.286 5.434 6.979 400 HB3 PHE 45 2HB PHE 45 -6.022 3.914 7.472 401 HD1 PHE 45 HD1 PHE 45 -4.597 2.538 6.122 402 HD2 PHE 45 HD2 PHE 45 -2.928 5.201 9.000 403 HE1 PHE 45 HE1 PHE 45 -2.423 1.418 5.898 404 HE2 PHE 45 HE2 PHE 45 -0.751 4.080 8.777 405 HZ PHE 45 HZ PHE 45 -0.494 2.186 7.223 406 H ARG 46 H ARG 46 -7.919 4.487 9.656 407 HA ARG 46 HA ARG 46 -9.427 6.505 8.444 408 HB2 ARG 46 3HB ARG 46 -11.281 5.784 9.966 409 HB3 ARG 46 2HB ARG 46 -10.126 4.769 10.820 410 HG2 ARG 46 3HG ARG 46 -9.725 3.487 8.781 411 HG3 ARG 46 2HG ARG 46 -10.858 4.516 7.903 412 HD2 ARG 46 3HD ARG 46 -11.553 2.792 10.273 413 HD3 ARG 46 2HD ARG 46 -11.859 2.374 8.590 414 HE ARG 46 HE ARG 46 -13.113 4.734 8.822 415 HH11 ARG 46 1HH1 ARG 46 -13.178 1.934 10.832 416 HH12 ARG 46 2HH1 ARG 46 -14.839 2.145 11.256 417 HH21 ARG 46 2HH2 ARG 46 -15.976 3.876 10.479 418 HH22 ARG 46 1HH2 ARG 46 -15.232 5.013 9.412 419 H LYS 47 H LYS 47 -7.800 6.509 11.535 420 HA LYS 47 HA LYS 47 -9.093 8.766 12.677 421 HB2 LYS 47 3HB LYS 47 -7.185 8.889 14.172 422 HB3 LYS 47 2HB LYS 47 -6.225 7.885 13.094 423 HG2 LYS 47 3HG LYS 47 -7.732 5.992 13.531 424 HG3 LYS 47 2HG LYS 47 -8.666 7.005 14.633 425 HD2 LYS 47 3HD LYS 47 -7.208 5.697 15.978 426 HD3 LYS 47 2HD LYS 47 -6.566 7.334 15.970 427 HE2 LYS 47 3HE LYS 47 -5.549 5.068 14.259 428 HE3 LYS 47 2HE LYS 47 -4.802 5.630 15.751 429 HZ1 LYS 47 3HZ LYS 47 -3.617 6.613 13.996 430 HZ2 LYS 47 1HZ LYS 47 -4.575 7.846 14.631 431 HZ3 LYS 47 2HZ LYS 47 -5.012 7.090 13.179 432 H GLU 48 H GLU 48 -6.426 8.376 10.435 433 HA GLU 48 HA GLU 48 -5.825 11.234 10.361 434 HB2 GLU 48 3HB GLU 48 -4.082 10.483 8.680 435 HB3 GLU 48 2HB GLU 48 -4.602 8.833 8.982 436 HG2 GLU 48 3HG GLU 48 -3.408 10.720 11.006 437 HG3 GLU 48 2HG GLU 48 -2.585 9.377 10.224 438 H SER 49 H SER 49 -8.282 9.624 9.146 439 HA SER 49 HA SER 49 -8.287 9.694 6.385 440 HB2 SER 49 3HB SER 49 -10.649 10.190 8.214 441 HB3 SER 49 2HB SER 49 -10.046 8.612 7.710 442 HG SER 49 HG SER 49 -11.898 9.635 6.515 443 H GLN 50 H GLN 50 -8.331 12.410 8.469 444 HA GLN 50 HA GLN 50 -9.768 14.287 6.983 445 HB2 GLN 50 3HB GLN 50 -8.439 16.001 8.182 446 HB3 GLN 50 2HB GLN 50 -7.360 14.737 8.758 447 HG2 GLN 50 3HG GLN 50 -9.174 13.712 10.004 448 HG3 GLN 50 2HG GLN 50 -10.307 14.911 9.379 449 HE21 GLN 50 2HE2 GLN 50 -9.348 17.431 11.595 450 HE22 GLN 50 1HE2 GLN 50 -10.188 17.030 10.140 451 H ASN 51 H ASN 51 -6.352 13.313 6.665 452 HA ASN 51 HA ASN 51 -6.243 14.639 4.049 453 HB2 ASN 51 3HB ASN 51 -4.148 15.809 4.553 454 HB3 ASN 51 2HB ASN 51 -4.188 15.212 6.206 455 HD21 ASN 51 2HD2 ASN 51 -6.389 17.620 7.370 456 HD22 ASN 51 1HD2 ASN 51 -5.572 16.130 7.672 457 H ILE 52 H ILE 52 -6.186 11.812 4.824 458 HA ILE 52 HA ILE 52 -3.362 11.096 4.371 459 HB ILE 52 HB ILE 52 -4.491 10.145 6.384 460 HG12 ILE 52 3HG1 ILE 52 -2.538 9.031 5.347 461 HG13 ILE 52 2HG1 ILE 52 -3.620 8.104 4.315 462 HG21 ILE 52 1HG2 ILE 52 -6.108 8.578 4.366 463 HG22 ILE 52 2HG2 ILE 52 -6.728 9.845 5.423 464 HG23 ILE 52 3HG2 ILE 52 -6.119 8.343 6.116 465 HD11 ILE 52 3HD1 ILE 52 -3.487 7.945 7.315 466 HD12 ILE 52 1HD1 ILE 52 -2.831 6.773 6.173 467 HD13 ILE 52 2HD1 ILE 52 -4.572 7.019 6.278 468 H LYS 53 H LYS 53 -2.687 9.942 2.639 469 HA LYS 53 HA LYS 53 -4.707 8.665 0.890 470 HB2 LYS 53 3HB LYS 53 -3.163 8.950 -0.995 471 HB3 LYS 53 2HB LYS 53 -1.998 9.744 0.052 472 HG2 LYS 53 3HG LYS 53 -3.474 11.622 0.363 473 HG3 LYS 53 2HG LYS 53 -4.743 10.822 -0.574 474 HD2 LYS 53 3HD LYS 53 -2.049 11.761 -1.589 475 HD3 LYS 53 2HD LYS 53 -3.621 12.466 -1.965 476 HE2 LYS 53 3HE LYS 53 -2.690 9.696 -2.736 477 HE3 LYS 53 2HE LYS 53 -2.818 11.087 -3.812 478 HZ1 LYS 53 3HZ LYS 53 -5.197 11.123 -3.439 479 HZ2 LYS 53 1HZ LYS 53 -5.081 9.799 -2.396 480 HZ3 LYS 53 2HZ LYS 53 -4.716 9.617 -4.034 481 H VAL 54 H VAL 54 -4.405 6.500 0.490 482 HA VAL 54 HA VAL 54 -1.930 5.269 1.547 483 HB VAL 54 HB VAL 54 -4.706 4.062 1.570 484 HG11 VAL 54 1HG1 VAL 54 -2.992 2.360 1.294 485 HG12 VAL 54 2HG1 VAL 54 -3.676 2.273 2.916 486 HG13 VAL 54 3HG1 VAL 54 -2.094 3.010 2.668 487 HG21 VAL 54 3HG2 VAL 54 -4.588 4.298 4.009 488 HG22 VAL 54 1HG2 VAL 54 -4.489 5.866 3.206 489 HG23 VAL 54 2HG2 VAL 54 -3.032 5.114 3.858 490 H LEU 55 H LEU 55 -0.717 4.490 -0.052 491 HA LEU 55 HA LEU 55 -1.911 3.538 -2.547 492 HB2 LEU 55 3HB LEU 55 0.983 3.754 -1.686 493 HB3 LEU 55 2HB LEU 55 0.104 4.957 -2.611 494 HG LEU 55 HG LEU 55 0.562 2.140 -3.603 495 HD11 LEU 55 1HD1 LEU 55 0.052 3.090 -5.786 496 HD12 LEU 55 2HD1 LEU 55 -0.209 4.672 -5.050 497 HD13 LEU 55 3HD1 LEU 55 -1.285 3.329 -4.660 498 HD21 LEU 55 3HD2 LEU 55 2.733 3.151 -3.246 499 HD22 LEU 55 1HD2 LEU 55 2.231 4.598 -4.122 500 HD23 LEU 55 2HD2 LEU 55 2.385 3.062 -4.972 501 H ILE 56 H ILE 56 -2.464 1.433 -2.784 502 HA ILE 56 HA ILE 56 -1.183 -0.545 -1.000 503 HB ILE 56 HB ILE 56 -3.867 -0.764 -2.386 504 HG12 ILE 56 3HG1 ILE 56 -3.860 0.945 -0.592 505 HG13 ILE 56 2HG1 ILE 56 -3.214 -0.243 0.535 506 HG21 ILE 56 1HG2 ILE 56 -2.526 -2.560 -0.357 507 HG22 ILE 56 2HG2 ILE 56 -2.827 -2.939 -2.053 508 HG23 ILE 56 3HG2 ILE 56 -4.180 -2.739 -0.939 509 HD11 ILE 56 3HD1 ILE 56 -5.903 -0.371 -0.810 510 HD12 ILE 56 1HD1 ILE 56 -5.590 0.073 0.866 511 HD13 ILE 56 2HD1 ILE 56 -5.257 -1.568 0.314 512 H LEU 57 H LEU 57 0.222 -1.891 -1.922 513 HA LEU 57 HA LEU 57 0.033 -2.417 -4.820 514 HB2 LEU 57 3HB LEU 57 2.427 -3.159 -4.613 515 HB3 LEU 57 2HB LEU 57 2.400 -2.620 -2.945 516 HG LEU 57 HG LEU 57 3.477 -1.040 -4.588 517 HD11 LEU 57 1HD1 LEU 57 2.038 0.339 -5.988 518 HD12 LEU 57 2HD1 LEU 57 0.636 -0.616 -5.510 519 HD13 LEU 57 3HD1 LEU 57 1.932 -1.361 -6.446 520 HD21 LEU 57 3HD2 LEU 57 2.691 -0.285 -2.391 521 HD22 LEU 57 1HD2 LEU 57 1.102 0.057 -3.081 522 HD23 LEU 57 2HD2 LEU 57 2.513 0.968 -3.620 523 H VAL 58 H VAL 58 -0.647 -4.348 -5.436 524 HA VAL 58 HA VAL 58 -0.524 -6.591 -3.505 525 HB VAL 58 HB VAL 58 -2.572 -7.459 -4.547 526 HG11 VAL 58 1HG1 VAL 58 -4.139 -5.756 -3.693 527 HG12 VAL 58 2HG1 VAL 58 -2.812 -4.595 -3.604 528 HG13 VAL 58 3HG1 VAL 58 -2.793 -6.035 -2.588 529 HG21 VAL 58 3HG2 VAL 58 -2.496 -4.911 -6.177 530 HG22 VAL 58 1HG2 VAL 58 -3.845 -6.044 -6.119 531 HG23 VAL 58 2HG2 VAL 58 -2.297 -6.555 -6.787 532 H SER 59 H SER 59 -0.163 -8.707 -4.331 533 HA SER 59 HA SER 59 1.505 -8.828 -6.683 534 HB2 SER 59 3HB SER 59 1.992 -10.189 -4.661 535 HB3 SER 59 2HB SER 59 1.826 -11.181 -6.110 536 HG SER 59 HG SER 59 0.275 -12.200 -5.147 537 H ASN 60 H ASN 60 -1.591 -10.343 -5.749 538 HA ASN 60 HA ASN 60 -2.009 -11.130 -8.563 539 HB2 ASN 60 3HB ASN 60 -3.526 -12.832 -7.744 540 HB3 ASN 60 2HB ASN 60 -3.440 -12.180 -6.110 541 HD21 ASN 60 2HD2 ASN 60 -1.147 -14.738 -5.545 542 HD22 ASN 60 1HD2 ASN 60 -2.750 -14.148 -5.287 543 H ASP 61 H ASP 61 -4.102 -10.890 -9.525 544 HA ASP 61 HA ASP 61 -5.540 -8.533 -9.019 545 HB2 ASP 61 3HB ASP 61 -5.723 -9.512 -11.176 546 HB3 ASP 61 2HB ASP 61 -7.325 -9.652 -10.457 547 H GLU 62 H GLU 62 -6.092 -11.855 -7.928 548 HA GLU 62 HA GLU 62 -8.432 -11.600 -6.476 549 HB2 GLU 62 3HB GLU 62 -5.909 -13.148 -5.821 550 HB3 GLU 62 2HB GLU 62 -7.290 -13.730 -6.736 551 HG2 GLU 62 3HG GLU 62 -7.323 -13.015 -3.809 552 HG3 GLU 62 2HG GLU 62 -7.208 -14.644 -4.466 553 H GLU 63 H GLU 63 -5.117 -10.982 -5.317 554 HA GLU 63 HA GLU 63 -5.764 -9.961 -2.779 555 HB2 GLU 63 3HB GLU 63 -3.502 -9.108 -2.723 556 HB3 GLU 63 2HB GLU 63 -3.389 -9.152 -4.477 557 HG2 GLU 63 3HG GLU 63 -2.132 -10.968 -3.533 558 HG3 GLU 63 2HG GLU 63 -3.519 -11.601 -4.416 559 H LEU 64 H LEU 64 -5.474 -8.408 -5.929 560 HA LEU 64 HA LEU 64 -5.591 -5.720 -5.198 561 HB2 LEU 64 3HB LEU 64 -6.795 -7.019 -7.650 562 HB3 LEU 64 2HB LEU 64 -5.111 -6.561 -7.479 563 HG LEU 64 HG LEU 64 -7.396 -4.582 -7.354 564 HD11 LEU 64 1HD1 LEU 64 -4.422 -4.202 -7.701 565 HD12 LEU 64 2HD1 LEU 64 -5.362 -3.835 -6.254 566 HD13 LEU 64 3HD1 LEU 64 -5.639 -2.925 -7.738 567 HD21 LEU 64 3HD2 LEU 64 -6.788 -3.975 -9.656 568 HD22 LEU 64 1HD2 LEU 64 -7.381 -5.633 -9.548 569 HD23 LEU 64 2HD2 LEU 64 -5.651 -5.324 -9.706 570 H ASP 65 H ASP 65 -8.291 -7.906 -6.060 571 HA ASP 65 HA ASP 65 -10.311 -5.979 -5.668 572 HB2 ASP 65 3HB ASP 65 -10.754 -8.945 -5.332 573 HB3 ASP 65 2HB ASP 65 -10.474 -8.221 -6.914 574 H LYS 66 H LYS 66 -8.983 -8.455 -3.488 575 HA LYS 66 HA LYS 66 -10.638 -8.028 -1.281 576 HB2 LYS 66 3HB LYS 66 -8.735 -8.906 0.073 577 HB3 LYS 66 2HB LYS 66 -7.700 -8.769 -1.344 578 HG2 LYS 66 3HG LYS 66 -8.431 -11.060 -1.065 579 HG3 LYS 66 2HG LYS 66 -9.135 -10.379 -2.534 580 HD2 LYS 66 3HD LYS 66 -10.824 -11.653 -1.371 581 HD3 LYS 66 2HD LYS 66 -11.233 -9.934 -1.283 582 HE2 LYS 66 3HE LYS 66 -10.381 -9.804 0.977 583 HE3 LYS 66 2HE LYS 66 -9.833 -11.479 0.900 584 HZ1 LYS 66 3HZ LYS 66 -12.667 -10.616 0.699 585 HZ2 LYS 66 1HZ LYS 66 -11.932 -11.227 2.096 586 HZ3 LYS 66 2HZ LYS 66 -12.101 -12.208 0.729 587 H ALA 67 H ALA 67 -7.622 -6.364 -2.167 588 HA ALA 67 HA ALA 67 -7.422 -4.702 0.090 589 HB1 ALA 67 3HB ALA 67 -6.456 -4.149 -2.717 590 HB2 ALA 67 1HB ALA 67 -5.585 -5.071 -1.492 591 HB3 ALA 67 2HB ALA 67 -5.897 -3.352 -1.246 592 H LYS 68 H LYS 68 -8.823 -3.969 -3.126 593 HA LYS 68 HA LYS 68 -9.657 -1.354 -2.447 594 HB2 LYS 68 3HB LYS 68 -9.445 -1.819 -4.755 595 HB3 LYS 68 2HB LYS 68 -11.161 -1.565 -4.477 596 HG2 LYS 68 3HG LYS 68 -11.555 -3.957 -4.506 597 HG3 LYS 68 2HG LYS 68 -9.829 -4.258 -4.690 598 HD2 LYS 68 3HD LYS 68 -10.583 -4.466 -6.869 599 HD3 LYS 68 2HD LYS 68 -10.046 -2.787 -6.827 600 HE2 LYS 68 3HE LYS 68 -12.183 -2.920 -7.943 601 HE3 LYS 68 2HE LYS 68 -12.377 -2.082 -6.403 602 HZ1 LYS 68 3HZ LYS 68 -13.285 -4.058 -5.429 603 HZ2 LYS 68 1HZ LYS 68 -12.975 -4.963 -6.824 604 HZ3 LYS 68 2HZ LYS 68 -14.133 -3.731 -6.850 605 H GLU 69 H GLU 69 -11.384 -4.468 -2.256 606 HA GLU 69 HA GLU 69 -13.913 -3.378 -1.628 607 HB2 GLU 69 3HB GLU 69 -14.426 -5.640 -0.666 608 HB3 GLU 69 2HB GLU 69 -12.742 -6.086 -0.926 609 HG2 GLU 69 3HG GLU 69 -14.302 -6.892 -2.686 610 HG3 GLU 69 2HG GLU 69 -12.980 -5.899 -3.292 611 H LEU 70 H LEU 70 -11.242 -4.413 0.493 612 HA LEU 70 HA LEU 70 -12.479 -3.784 2.946 613 HB2 LEU 70 3HB LEU 70 -10.137 -3.534 3.809 614 HB3 LEU 70 2HB LEU 70 -9.562 -3.700 2.161 615 HG LEU 70 HG LEU 70 -10.445 -5.979 2.058 616 HD11 LEU 70 1HD1 LEU 70 -8.733 -5.485 4.495 617 HD12 LEU 70 2HD1 LEU 70 -8.162 -5.641 2.833 618 HD13 LEU 70 3HD1 LEU 70 -8.901 -7.019 3.643 619 HD21 LEU 70 3HD2 LEU 70 -12.368 -5.757 3.523 620 HD22 LEU 70 1HD2 LEU 70 -11.313 -5.503 4.915 621 HD23 LEU 70 2HD2 LEU 70 -11.327 -7.062 4.090 622 H ALA 71 H ALA 71 -10.243 -1.824 0.976 623 HA ALA 71 HA ALA 71 -10.157 0.457 2.540 624 HB1 ALA 71 3HB ALA 71 -9.437 1.630 0.531 625 HB2 ALA 71 1HB ALA 71 -10.040 0.308 -0.470 626 HB3 ALA 71 2HB ALA 71 -8.690 0.035 0.632 627 H GLN 72 H GLN 72 -12.473 -0.275 -0.082 628 HA GLN 72 HA GLN 72 -13.893 2.152 0.001 629 HB2 GLN 72 3HB GLN 72 -15.759 0.831 -1.048 630 HB3 GLN 72 2HB GLN 72 -14.804 -0.623 -0.788 631 HG2 GLN 72 3HG GLN 72 -13.007 0.383 -2.196 632 HG3 GLN 72 2HG GLN 72 -14.098 1.724 -2.542 633 HE21 GLN 72 2HE2 GLN 72 -14.603 -1.881 -4.334 634 HE22 GLN 72 1HE2 GLN 72 -13.505 -1.666 -3.021 635 H LYS 73 H LYS 73 -14.495 -0.912 1.714 636 HA LYS 73 HA LYS 73 -16.823 -0.007 3.089 637 HB2 LYS 73 3HB LYS 73 -16.414 -2.052 4.525 638 HB3 LYS 73 2HB LYS 73 -14.949 -2.328 3.590 639 HG2 LYS 73 3HG LYS 73 -16.386 -2.406 1.531 640 HG3 LYS 73 2HG LYS 73 -17.792 -2.364 2.594 641 HD2 LYS 73 3HD LYS 73 -16.877 -4.414 3.731 642 HD3 LYS 73 2HD LYS 73 -15.659 -4.493 2.458 643 HE2 LYS 73 3HE LYS 73 -18.649 -4.750 2.171 644 HE3 LYS 73 2HE LYS 73 -17.426 -5.977 1.851 645 HZ1 LYS 73 3HZ LYS 73 -18.094 -5.147 -0.225 646 HZ2 LYS 73 1HZ LYS 73 -16.589 -4.440 0.062 647 HZ3 LYS 73 2HZ LYS 73 -18.005 -3.539 0.273 648 H MET 74 H MET 74 -13.421 0.300 3.733 649 HA MET 74 HA MET 74 -13.827 1.112 6.507 650 HB2 MET 74 3HB MET 74 -11.373 1.378 6.552 651 HB3 MET 74 2HB MET 74 -11.307 1.052 4.824 652 HG2 MET 74 3HG MET 74 -10.689 -0.937 5.984 653 HG3 MET 74 2HG MET 74 -12.277 -1.195 5.269 654 HE1 MET 74 3HE MET 74 -10.189 -0.915 8.524 655 HE2 MET 74 1HE MET 74 -11.417 -0.600 9.752 656 HE3 MET 74 2HE MET 74 -11.045 0.629 8.545 657 H GLU 75 H GLU 75 -13.960 2.591 3.486 658 HA GLU 75 HA GLU 75 -14.169 4.726 2.764 659 HB2 GLU 75 3HB GLU 75 -15.077 6.384 4.352 660 HB3 GLU 75 2HB GLU 75 -14.727 5.289 5.684 661 HG2 GLU 75 3HG GLU 75 -16.293 3.653 4.759 662 HG3 GLU 75 2HG GLU 75 -16.639 4.744 3.416 663 H ILE 76 H ILE 76 -11.759 4.483 2.423 664 HA ILE 76 HA ILE 76 -10.402 6.791 3.660 665 HB ILE 76 HB ILE 76 -9.135 4.064 3.246 666 HG12 ILE 76 3HG1 ILE 76 -10.548 4.204 5.265 667 HG13 ILE 76 2HG1 ILE 76 -9.647 5.620 5.797 668 HG21 ILE 76 1HG2 ILE 76 -7.881 6.642 4.204 669 HG22 ILE 76 2HG2 ILE 76 -7.539 5.811 2.687 670 HG23 ILE 76 3HG2 ILE 76 -7.096 5.064 4.221 671 HD11 ILE 76 3HD1 ILE 76 -8.953 3.589 6.956 672 HD12 ILE 76 1HD1 ILE 76 -7.638 4.293 6.018 673 HD13 ILE 76 2HD1 ILE 76 -8.489 2.872 5.414 674 H ASP 77 H ASP 77 -8.911 7.881 2.268 675 HA ASP 77 HA ASP 77 -9.293 7.534 -0.554 676 HB2 ASP 77 3HB ASP 77 -7.199 9.200 0.880 677 HB3 ASP 77 2HB ASP 77 -8.834 9.745 0.522 678 H VAL 78 H VAL 78 -8.448 5.789 -1.555 679 HA VAL 78 HA VAL 78 -5.672 4.999 -0.926 680 HB VAL 78 HB VAL 78 -6.257 2.648 -1.197 681 HG11 VAL 78 1HG1 VAL 78 -6.347 3.589 1.051 682 HG12 VAL 78 2HG1 VAL 78 -7.568 2.333 0.856 683 HG13 VAL 78 3HG1 VAL 78 -8.038 4.032 0.816 684 HG21 VAL 78 3HG2 VAL 78 -9.109 3.609 -1.507 685 HG22 VAL 78 1HG2 VAL 78 -8.600 1.925 -1.377 686 HG23 VAL 78 2HG2 VAL 78 -8.112 2.886 -2.771 687 H ARG 79 H ARG 79 -4.590 3.758 -2.618 688 HA ARG 79 HA ARG 79 -5.828 3.832 -5.282 689 HB2 ARG 79 3HB ARG 79 -3.721 4.536 -6.332 690 HB3 ARG 79 2HB ARG 79 -2.957 4.664 -4.753 691 HG2 ARG 79 3HG ARG 79 -3.795 6.712 -4.387 692 HG3 ARG 79 2HG ARG 79 -5.399 6.254 -4.957 693 HD2 ARG 79 3HD ARG 79 -4.542 7.995 -6.370 694 HD3 ARG 79 2HD ARG 79 -4.610 6.494 -7.289 695 HE ARG 79 HE ARG 79 -2.088 7.436 -6.096 696 HH11 ARG 79 1HH1 ARG 79 -3.922 6.422 -8.831 697 HH12 ARG 79 2HH1 ARG 79 -2.554 6.459 -9.891 698 HH21 ARG 79 2HH2 ARG 79 -0.548 7.040 -9.115 699 HH22 ARG 79 1HH2 ARG 79 -0.359 7.486 -7.450 700 H THR 80 H THR 80 -6.152 1.664 -5.467 701 HA THR 80 HA THR 80 -4.149 -0.263 -4.657 702 HB THR 80 HB THR 80 -5.809 -1.911 -5.740 703 HG1 THR 80 HG1 THR 80 -7.180 -0.794 -6.965 704 HG21 THR 80 3HG2 THR 80 -5.662 -1.569 -3.318 705 HG22 THR 80 1HG2 THR 80 -7.334 -1.806 -3.826 706 HG23 THR 80 2HG2 THR 80 -6.751 -0.186 -3.440 707 H ARG 81 H ARG 81 -2.545 -1.010 -5.891 708 HA ARG 81 HA ARG 81 -2.901 -1.126 -8.814 709 HB2 ARG 81 3HB ARG 81 -0.516 -0.439 -9.093 710 HB3 ARG 81 2HB ARG 81 -0.444 -0.106 -7.367 711 HG2 ARG 81 3HG ARG 81 -0.747 1.938 -8.649 712 HG3 ARG 81 2HG ARG 81 -2.142 1.628 -7.614 713 HD2 ARG 81 3HD ARG 81 -3.373 0.721 -9.529 714 HD3 ARG 81 2HD ARG 81 -1.977 1.011 -10.568 715 HE ARG 81 HE ARG 81 -2.334 3.370 -10.291 716 HH11 ARG 81 1HH1 ARG 81 -4.883 1.376 -9.100 717 HH12 ARG 81 2HH1 ARG 81 -6.071 2.621 -9.265 718 HH21 ARG 81 2HH2 ARG 81 -5.507 4.630 -9.996 719 HH22 ARG 81 1HH2 ARG 81 -3.875 4.960 -10.468 720 H LYS 82 H LYS 82 -2.104 -2.926 -9.799 721 HA LYS 82 HA LYS 82 -1.088 -5.069 -8.089 722 HB2 LYS 82 3HB LYS 82 -1.845 -5.126 -11.023 723 HB3 LYS 82 2HB LYS 82 -2.930 -5.514 -9.695 724 HG2 LYS 82 3HG LYS 82 -1.567 -7.422 -9.083 725 HG3 LYS 82 2HG LYS 82 -0.381 -7.006 -10.323 726 HD2 LYS 82 3HD LYS 82 -3.264 -7.728 -10.874 727 HD3 LYS 82 2HD LYS 82 -1.905 -8.846 -11.002 728 HE2 LYS 82 3HE LYS 82 -0.887 -7.379 -12.707 729 HE3 LYS 82 2HE LYS 82 -2.290 -6.315 -12.610 730 HZ1 LYS 82 3HZ LYS 82 -3.684 -8.104 -13.386 731 HZ2 LYS 82 1HZ LYS 82 -2.370 -9.168 -13.422 732 HZ3 LYS 82 2HZ LYS 82 -2.418 -7.851 -14.477 733 H VAL 83 H VAL 83 0.980 -5.755 -8.081 734 HA VAL 83 HA VAL 83 2.847 -4.603 -10.064 735 HB VAL 83 HB VAL 83 4.628 -4.850 -8.374 736 HG11 VAL 83 1HG1 VAL 83 3.930 -3.028 -6.894 737 HG12 VAL 83 2HG1 VAL 83 2.252 -3.265 -7.387 738 HG13 VAL 83 3HG1 VAL 83 3.449 -2.720 -8.563 739 HG21 VAL 83 3HG2 VAL 83 4.051 -5.331 -6.024 740 HG22 VAL 83 1HG2 VAL 83 3.730 -6.708 -7.078 741 HG23 VAL 83 2HG2 VAL 83 2.398 -5.700 -6.515 742 H THR 84 H THR 84 4.101 -5.961 -11.264 743 HA THR 84 HA THR 84 3.947 -8.855 -10.674 744 HB THR 84 HB THR 84 4.501 -9.245 -13.046 745 HG1 THR 84 HG1 THR 84 4.585 -7.502 -14.477 746 HG21 THR 84 3HG2 THR 84 2.378 -8.507 -14.011 747 HG22 THR 84 1HG2 THR 84 2.153 -7.378 -12.674 748 HG23 THR 84 2HG2 THR 84 2.143 -9.116 -12.372 749 H SER 85 H SER 85 6.058 -6.288 -10.450 750 HA SER 85 HA SER 85 8.349 -8.035 -10.070 751 HB2 SER 85 3HB SER 85 9.827 -6.619 -11.542 752 HB3 SER 85 2HB SER 85 8.376 -5.835 -12.164 753 HG SER 85 HG SER 85 8.130 -7.460 -13.451 754 HA PRO 86 HA PRO 86 9.420 -5.264 -6.794 755 HB2 PRO 86 2HB PRO 86 12.144 -4.839 -7.286 756 HB3 PRO 86 3HB PRO 86 11.453 -6.176 -6.362 757 HG2 PRO 86 3HG PRO 86 12.502 -7.401 -8.024 758 HG3 PRO 86 2HG PRO 86 12.334 -6.101 -9.218 759 HD2 PRO 86 3HD PRO 86 10.296 -8.108 -8.301 760 HD3 PRO 86 2HD PRO 86 10.641 -7.519 -9.942 761 H ASP 87 H ASP 87 10.823 -4.260 -9.939 762 HA ASP 87 HA ASP 87 11.085 -1.530 -9.268 763 HB2 ASP 87 3HB ASP 87 11.011 -1.240 -11.855 764 HB3 ASP 87 2HB ASP 87 10.998 -3.004 -11.879 765 H GLU 88 H GLU 88 8.282 -3.345 -10.321 766 HA GLU 88 HA GLU 88 6.622 -1.215 -11.091 767 HB2 GLU 88 3HB GLU 88 4.727 -2.679 -10.296 768 HB3 GLU 88 2HB GLU 88 5.928 -3.800 -9.677 769 HG2 GLU 88 3HG GLU 88 5.116 -4.584 -11.791 770 HG3 GLU 88 2HG GLU 88 6.801 -4.099 -11.958 771 H ALA 89 H ALA 89 6.840 -2.767 -7.871 772 HA ALA 89 HA ALA 89 5.321 -0.919 -6.440 773 HB1 ALA 89 3HB ALA 89 6.430 -1.770 -4.441 774 HB2 ALA 89 1HB ALA 89 7.689 -2.502 -5.437 775 HB3 ALA 89 2HB ALA 89 6.030 -3.090 -5.543 776 H LYS 90 H LYS 90 8.813 -0.920 -7.100 777 HA LYS 90 HA LYS 90 9.582 1.355 -5.700 778 HB2 LYS 90 3HB LYS 90 11.399 1.545 -7.451 779 HB3 LYS 90 2HB LYS 90 10.600 0.245 -8.324 780 HG2 LYS 90 3HG LYS 90 10.891 -1.204 -6.316 781 HG3 LYS 90 2HG LYS 90 11.829 0.090 -5.575 782 HD2 LYS 90 3HD LYS 90 12.525 -1.354 -8.138 783 HD3 LYS 90 2HD LYS 90 13.282 -1.608 -6.569 784 HE2 LYS 90 3HE LYS 90 14.797 -0.218 -7.646 785 HE3 LYS 90 2HE LYS 90 13.854 0.909 -6.675 786 HZ1 LYS 90 3HZ LYS 90 13.399 0.358 -9.556 787 HZ2 LYS 90 1HZ LYS 90 14.213 1.706 -8.937 788 HZ3 LYS 90 2HZ LYS 90 12.570 1.496 -8.617 789 H ARG 91 H ARG 91 8.292 1.130 -9.010 790 HA ARG 91 HA ARG 91 8.440 3.908 -9.574 791 HB2 ARG 91 3HB ARG 91 6.933 1.621 -10.830 792 HB3 ARG 91 2HB ARG 91 8.343 2.472 -11.446 793 HG2 ARG 91 3HG ARG 91 6.869 4.515 -11.660 794 HG3 ARG 91 2HG ARG 91 5.501 3.457 -11.315 795 HD2 ARG 91 3HD ARG 91 6.292 2.028 -13.262 796 HD3 ARG 91 2HD ARG 91 7.369 3.361 -13.675 797 HE ARG 91 HE ARG 91 4.655 3.189 -14.310 798 HH11 ARG 91 1HH1 ARG 91 6.890 5.515 -13.078 799 HH12 ARG 91 2HH1 ARG 91 5.956 6.863 -13.615 800 HH21 ARG 91 2HH2 ARG 91 4.075 6.517 -14.774 801 HH22 ARG 91 1HH2 ARG 91 3.494 4.908 -15.038 802 H TRP 92 H TRP 92 5.766 1.850 -8.417 803 HA TRP 92 HA TRP 92 3.768 3.820 -8.508 804 HB2 TRP 92 3HB TRP 92 2.595 2.363 -6.789 805 HB3 TRP 92 2HB TRP 92 4.030 1.342 -6.798 806 HD1 TRP 92 HD1 TRP 92 3.753 -0.685 -8.339 807 HE1 TRP 92 HE1 TRP 92 2.491 -1.195 -10.520 808 HE3 TRP 92 HE3 TRP 92 1.618 3.888 -9.120 809 HZ2 TRP 92 HZ2 TRP 92 0.811 0.166 -12.336 810 HZ3 TRP 92 HZ3 TRP 92 0.199 4.205 -11.098 811 HH2 TRP 92 HH2 TRP 92 -0.197 2.381 -12.678 812 H ILE 93 H ILE 93 5.915 2.903 -5.794 813 HA ILE 93 HA ILE 93 4.911 4.770 -3.934 814 HB ILE 93 HB ILE 93 7.701 3.616 -4.180 815 HG12 ILE 93 3HG1 ILE 93 5.937 1.942 -3.842 816 HG13 ILE 93 2HG1 ILE 93 5.333 2.839 -2.453 817 HG21 ILE 93 1HG2 ILE 93 7.772 5.676 -2.865 818 HG22 ILE 93 2HG2 ILE 93 8.016 4.270 -1.828 819 HG23 ILE 93 3HG2 ILE 93 6.454 5.090 -1.847 820 HD11 ILE 93 3HD1 ILE 93 6.650 0.900 -1.788 821 HD12 ILE 93 1HD1 ILE 93 7.390 2.407 -1.247 822 HD13 ILE 93 2HD1 ILE 93 8.046 1.555 -2.646 823 H LYS 94 H LYS 94 7.446 5.072 -6.403 824 HA LYS 94 HA LYS 94 8.297 7.681 -5.855 825 HB2 LYS 94 3HB LYS 94 8.106 6.162 -8.461 826 HB3 LYS 94 2HB LYS 94 9.512 6.320 -7.419 827 HG2 LYS 94 3HG LYS 94 9.628 8.714 -7.941 828 HG3 LYS 94 2HG LYS 94 8.224 8.543 -8.999 829 HD2 LYS 94 3HD LYS 94 9.497 6.906 -10.361 830 HD3 LYS 94 2HD LYS 94 10.907 7.195 -9.341 831 HE2 LYS 94 3HE LYS 94 10.849 9.582 -9.990 832 HE3 LYS 94 2HE LYS 94 9.501 9.229 -11.073 833 HZ1 LYS 94 3HZ LYS 94 10.967 7.650 -12.237 834 HZ2 LYS 94 1HZ LYS 94 12.253 8.140 -11.258 835 HZ3 LYS 94 2HZ LYS 94 11.530 9.240 -12.316 836 H GLU 95 H GLU 95 5.826 6.648 -8.233 837 HA GLU 95 HA GLU 95 4.941 9.185 -8.994 838 HB2 GLU 95 3HB GLU 95 2.816 7.995 -9.650 839 HB3 GLU 95 2HB GLU 95 3.454 6.551 -8.878 840 HG2 GLU 95 3HG GLU 95 3.799 6.418 -11.255 841 HG3 GLU 95 2HG GLU 95 5.355 6.572 -10.441 842 H PHE 96 H PHE 96 3.801 7.086 -6.379 843 HA PHE 96 HA PHE 96 1.631 8.609 -5.500 844 HB2 PHE 96 3HB PHE 96 3.474 6.854 -3.863 845 HB3 PHE 96 2HB PHE 96 2.098 6.290 -4.804 846 HD1 PHE 96 HD1 PHE 96 3.162 7.203 -1.603 847 HD2 PHE 96 HD2 PHE 96 -0.201 7.465 -4.207 848 HE1 PHE 96 HE1 PHE 96 1.682 7.496 0.339 849 HE2 PHE 96 HE2 PHE 96 -1.681 7.761 -2.267 850 HZ PHE 96 HZ PHE 96 -0.740 7.772 0.007 851 H SER 97 H SER 97 5.062 8.805 -4.596 852 HA SER 97 HA SER 97 4.689 10.864 -2.639 853 HB2 SER 97 3HB SER 97 6.725 9.314 -2.845 854 HB3 SER 97 2HB SER 97 7.049 11.011 -2.498 855 HG SER 97 HG SER 97 7.271 9.698 -5.005 856 H GLU 98 H GLU 98 5.139 10.843 -6.103 857 HA GLU 98 HA GLU 98 5.620 13.701 -6.239 858 HB2 GLU 98 3HB GLU 98 5.645 13.379 -8.686 859 HB3 GLU 98 2HB GLU 98 5.158 11.701 -8.469 860 HG2 GLU 98 3HG GLU 98 7.219 11.114 -7.488 861 HG3 GLU 98 2HG GLU 98 7.661 12.797 -7.217 862 H GLU 99 H GLU 99 2.880 11.762 -5.919 863 HA GLU 99 HA GLU 99 0.967 13.510 -7.138 864 HB2 GLU 99 3HB GLU 99 -0.652 12.417 -5.521 865 HB3 GLU 99 2HB GLU 99 0.708 11.512 -4.875 866 HG2 GLU 99 3HG GLU 99 1.047 10.433 -7.026 867 HG3 GLU 99 2HG GLU 99 -0.278 11.371 -7.717 868 H GLY 100 H GLY 100 1.939 13.035 -3.733 869 HA2 GLY 100 3HA GLY 100 1.862 15.849 -3.151 870 HA3 GLY 100 2HA GLY 100 2.140 14.552 -2.001 871 H GLY 101 H GLY 101 -0.668 15.104 -4.103 872 HA2 GLY 101 3HA GLY 101 -2.345 15.381 -1.676 873 HA3 GLY 101 2HA GLY 101 -2.886 14.604 -3.158 874 H SER 102 H SER 102 -1.922 16.469 -5.030 875 HA SER 102 HA SER 102 -2.479 18.388 -6.107 876 HB2 SER 102 3HB SER 102 -4.658 19.501 -5.503 877 HB3 SER 102 2HB SER 102 -4.813 18.353 -4.176 878 HG SER 102 HG SER 102 -4.618 16.687 -5.859 879 H LEU 103 H LEU 103 -0.754 18.439 -3.677 880 HA LEU 103 HA LEU 103 -1.167 20.741 -2.136 881 HB2 LEU 103 3HB LEU 103 1.242 20.590 -1.599 882 HB3 LEU 103 2HB LEU 103 1.444 19.421 -2.891 883 HG LEU 103 HG LEU 103 -0.034 17.846 -1.703 884 HD11 LEU 103 1HD1 LEU 103 1.467 17.319 0.159 885 HD12 LEU 103 2HD1 LEU 103 2.230 18.901 -0.009 886 HD13 LEU 103 3HD1 LEU 103 2.356 17.717 -1.309 887 HD21 LEU 103 3HD2 LEU 103 -0.116 19.970 0.449 888 HD22 LEU 103 1HD2 LEU 103 -0.716 18.319 0.618 889 HD23 LEU 103 2HD2 LEU 103 -1.472 19.417 -0.535 890 H GLU 104 H GLU 104 1.468 20.518 -4.550 891 HA GLU 104 HA GLU 104 1.488 23.354 -4.939 892 HB2 GLU 104 3HB GLU 104 3.550 22.077 -5.159 893 HB3 GLU 104 2HB GLU 104 3.191 22.918 -6.660 894 HG2 GLU 104 3HG GLU 104 2.256 20.788 -7.555 895 HG3 GLU 104 2HG GLU 104 2.814 19.982 -6.090 896 H HIS 105 H HIS 105 0.552 20.626 -7.046 897 HA HIS 105 HA HIS 105 -0.818 22.468 -8.858 898 HB2 HIS 105 3HB HIS 105 -1.139 20.494 -10.293 899 HB3 HIS 105 2HB HIS 105 -0.465 19.460 -9.038 900 HD1 HIS 105 HD1 HIS 105 1.809 18.760 -9.681 901 HD2 HIS 105 HD2 HIS 105 1.037 22.684 -10.813 902 HE1 HIS 105 HE1 HIS 105 3.925 19.579 -10.744 903 HE2 HIS 105 HE2 HIS 105 3.496 22.005 -11.241 904 H HIS 106 H HIS 106 -2.600 23.141 -7.638 905 HA HIS 106 HA HIS 106 -4.254 21.330 -6.177 906 HB2 HIS 106 3HB HIS 106 -5.769 23.232 -5.879 907 HB3 HIS 106 2HB HIS 106 -4.920 24.132 -7.130 908 HD1 HIS 106 HD1 HIS 106 -3.246 25.737 -6.266 909 HD2 HIS 106 HD2 HIS 106 -3.871 22.604 -3.609 910 HE1 HIS 106 HE1 HIS 106 -1.841 26.269 -4.261 911 HE2 HIS 106 HE2 HIS 106 -2.042 24.242 -2.789 912 H HIS 107 H HIS 107 -4.758 19.683 -7.659 913 HA HIS 107 HA HIS 107 -5.688 19.969 -10.253 914 HB2 HIS 107 3HB HIS 107 -6.310 17.736 -8.304 915 HB3 HIS 107 2HB HIS 107 -4.871 17.854 -9.311 916 HD1 HIS 107 HD1 HIS 107 -7.662 15.881 -9.249 917 HD2 HIS 107 HD2 HIS 107 -6.064 18.296 -12.231 918 HE1 HIS 107 HE1 HIS 107 -8.583 14.991 -11.407 919 HE2 HIS 107 HE2 HIS 107 -7.507 16.387 -13.196 920 H HIS 108 H HIS 108 -7.619 19.848 -7.264 921 HA HIS 108 HA HIS 108 -10.061 20.277 -8.813 922 HB2 HIS 108 3HB HIS 108 -11.153 20.241 -6.501 923 HB3 HIS 108 2HB HIS 108 -9.570 19.778 -5.879 924 HD1 HIS 108 HD1 HIS 108 -9.215 17.310 -5.756 925 HD2 HIS 108 HD2 HIS 108 -12.006 18.336 -8.663 926 HE1 HIS 108 HE1 HIS 108 -10.037 15.137 -6.699 927 HE2 HIS 108 HE2 HIS 108 -11.700 15.777 -8.475 928 H HIS 109 H HIS 109 -7.678 22.131 -7.333 929 HA HIS 109 HA HIS 109 -7.378 24.356 -7.014 930 HB2 HIS 109 3HB HIS 109 -9.478 24.564 -9.184 931 HB3 HIS 109 2HB HIS 109 -7.795 24.143 -9.471 932 HD1 HIS 109 HD1 HIS 109 -6.016 26.055 -8.829 933 HD2 HIS 109 HD2 HIS 109 -9.975 27.254 -9.179 934 HE1 HIS 109 HE1 HIS 109 -5.938 28.540 -9.113 935 HE2 HIS 109 HE2 HIS 109 -8.345 29.259 -9.156 936 H HIS 110 H HIS 110 -8.457 24.118 -4.834 937 HA HIS 110 HA HIS 110 -10.976 25.657 -4.721 938 HB2 HIS 110 3HB HIS 110 -11.247 23.473 -3.711 939 HB3 HIS 110 2HB HIS 110 -11.320 24.702 -2.458 940 HD1 HIS 110 HD1 HIS 110 -9.417 24.742 -0.707 941 HD2 HIS 110 HD2 HIS 110 -9.085 21.682 -3.496 942 HE1 HIS 110 HE1 HIS 110 -7.705 23.169 0.228 943 HE2 HIS 110 HE2 HIS 110 -7.604 21.269 -1.410 Start of MODEL 11 1 H1 MET 1 1H MET 1 -0.297 16.919 5.494 2 H2 MET 1 2H MET 1 -0.747 18.009 4.284 3 H3 MET 1 3H MET 1 0.693 17.135 4.138 4 HA MET 1 HA MET 1 -2.042 15.990 4.136 5 HB2 MET 1 3HB MET 1 -0.047 16.163 1.859 6 HB3 MET 1 2HB MET 1 -1.363 17.304 2.090 7 HG2 MET 1 3HG MET 1 -1.705 14.343 1.665 8 HG3 MET 1 2HG MET 1 -1.873 15.578 0.416 9 HE1 MET 1 3HE MET 1 -5.584 14.466 1.012 10 HE2 MET 1 1HE MET 1 -4.142 13.453 1.006 11 HE3 MET 1 2HE MET 1 -4.326 14.733 -0.195 12 H LEU 2 H LEU 2 -2.096 13.892 4.734 13 HA LEU 2 HA LEU 2 0.392 12.513 5.301 14 HB2 LEU 2 3HB LEU 2 -1.025 10.777 6.313 15 HB3 LEU 2 2HB LEU 2 -2.458 11.594 5.722 16 HG LEU 2 HG LEU 2 -0.574 13.001 7.599 17 HD11 LEU 2 1HD1 LEU 2 -2.573 14.245 8.218 18 HD12 LEU 2 2HD1 LEU 2 -3.542 13.268 7.116 19 HD13 LEU 2 3HD1 LEU 2 -2.291 14.339 6.481 20 HD21 LEU 2 3HD2 LEU 2 -1.924 12.212 9.485 21 HD22 LEU 2 1HD2 LEU 2 -1.102 10.880 8.674 22 HD23 LEU 2 2HD2 LEU 2 -2.823 11.152 8.400 23 H LEU 3 H LEU 3 1.328 11.010 4.058 24 HA LEU 3 HA LEU 3 -0.286 9.621 2.013 25 HB2 LEU 3 3HB LEU 3 1.777 9.626 0.570 26 HB3 LEU 3 2HB LEU 3 2.514 10.728 1.720 27 HG LEU 3 HG LEU 3 0.642 12.354 1.244 28 HD11 LEU 3 1HD1 LEU 3 2.835 12.602 0.193 29 HD12 LEU 3 2HD1 LEU 3 1.547 13.091 -0.908 30 HD13 LEU 3 3HD1 LEU 3 2.340 11.528 -1.117 31 HD21 LEU 3 3HD2 LEU 3 0.028 10.427 -0.998 32 HD22 LEU 3 1HD2 LEU 3 -0.678 12.030 -0.783 33 HD23 LEU 3 2HD2 LEU 3 -1.002 10.758 0.396 34 H TYR 4 H TYR 4 -0.393 7.533 2.509 35 HA TYR 4 HA TYR 4 1.913 6.224 3.820 36 HB2 TYR 4 3HB TYR 4 0.113 4.597 4.688 37 HB3 TYR 4 2HB TYR 4 -1.056 5.811 4.188 38 HD1 TYR 4 HD1 TYR 4 -0.666 8.235 5.161 39 HD2 TYR 4 HD2 TYR 4 0.993 4.684 6.828 40 HE1 TYR 4 HE1 TYR 4 -0.361 9.388 7.313 41 HE2 TYR 4 HE2 TYR 4 1.305 5.829 8.976 42 HH TYR 4 HH TYR 4 1.505 8.024 9.875 43 H VAL 5 H VAL 5 2.234 3.936 3.342 44 HA VAL 5 HA VAL 5 1.119 3.061 0.753 45 HB VAL 5 HB VAL 5 4.049 2.906 1.521 46 HG11 VAL 5 1HG1 VAL 5 3.341 0.947 0.241 47 HG12 VAL 5 2HG1 VAL 5 4.400 1.977 -0.720 48 HG13 VAL 5 3HG1 VAL 5 2.661 1.992 -1.009 49 HG21 VAL 5 3HG2 VAL 5 3.387 5.171 0.862 50 HG22 VAL 5 1HG2 VAL 5 2.699 4.543 -0.637 51 HG23 VAL 5 2HG2 VAL 5 4.436 4.438 -0.349 52 H LEU 6 H LEU 6 0.298 1.064 0.854 53 HA LEU 6 HA LEU 6 1.285 -0.828 2.900 54 HB2 LEU 6 3HB LEU 6 -0.888 -2.002 2.584 55 HB3 LEU 6 2HB LEU 6 -1.381 -0.739 1.473 56 HG LEU 6 HG LEU 6 -1.320 0.907 3.286 57 HD11 LEU 6 1HD1 LEU 6 -2.937 -1.565 3.893 58 HD12 LEU 6 2HD1 LEU 6 -3.417 -0.202 2.878 59 HD13 LEU 6 3HD1 LEU 6 -3.212 0.019 4.615 60 HD21 LEU 6 3HD2 LEU 6 -0.996 0.189 5.612 61 HD22 LEU 6 1HD2 LEU 6 0.457 -0.050 4.644 62 HD23 LEU 6 2HD2 LEU 6 -0.566 -1.427 5.051 63 H ILE 7 H ILE 7 2.315 -2.632 2.208 64 HA ILE 7 HA ILE 7 2.072 -3.336 -0.654 65 HB ILE 7 HB ILE 7 4.325 -2.607 -0.134 66 HG12 ILE 7 3HG1 ILE 7 4.039 -4.425 -1.776 67 HG13 ILE 7 2HG1 ILE 7 4.198 -5.616 -0.488 68 HG21 ILE 7 1HG2 ILE 7 4.345 -3.069 2.266 69 HG22 ILE 7 2HG2 ILE 7 5.753 -3.771 1.470 70 HG23 ILE 7 3HG2 ILE 7 4.401 -4.802 1.939 71 HD11 ILE 7 3HD1 ILE 7 6.255 -5.429 -1.728 72 HD12 ILE 7 1HD1 ILE 7 6.485 -4.859 -0.077 73 HD13 ILE 7 2HD1 ILE 7 6.329 -3.699 -1.397 74 H ILE 8 H ILE 8 0.985 -5.143 -1.047 75 HA ILE 8 HA ILE 8 0.840 -7.244 1.021 76 HB ILE 8 HB ILE 8 -0.937 -6.868 -1.410 77 HG12 ILE 8 3HG1 ILE 8 -1.201 -5.018 0.200 78 HG13 ILE 8 2HG1 ILE 8 -1.456 -6.175 1.501 79 HG21 ILE 8 1HG2 ILE 8 -2.401 -8.508 -0.323 80 HG22 ILE 8 2HG2 ILE 8 -1.237 -8.679 0.992 81 HG23 ILE 8 3HG2 ILE 8 -0.803 -9.187 -0.640 82 HD11 ILE 8 3HD1 ILE 8 -3.554 -5.255 0.813 83 HD12 ILE 8 1HD1 ILE 8 -3.497 -6.957 0.367 84 HD13 ILE 8 2HD1 ILE 8 -3.255 -5.711 -0.858 85 H SER 9 H SER 9 2.478 -8.664 0.686 86 HA SER 9 HA SER 9 2.549 -10.213 -1.739 87 HB2 SER 9 3HB SER 9 4.931 -8.453 -1.081 88 HB3 SER 9 2HB SER 9 3.896 -8.324 -2.502 89 HG SER 9 HG SER 9 5.038 -9.823 -3.421 90 H ASN 10 H ASN 10 3.963 -12.044 -1.622 91 HA ASN 10 HA ASN 10 4.814 -12.750 1.113 92 HB2 ASN 10 3HB ASN 10 4.771 -15.087 0.334 93 HB3 ASN 10 2HB ASN 10 4.330 -14.546 -1.284 94 HD21 ASN 10 2HD2 ASN 10 1.556 -14.769 1.647 95 HD22 ASN 10 1HD2 ASN 10 3.238 -14.953 1.988 96 H ASP 11 H ASP 11 6.034 -11.631 -1.779 97 HA ASP 11 HA ASP 11 8.517 -13.140 -1.773 98 HB2 ASP 11 3HB ASP 11 9.053 -11.676 -3.746 99 HB3 ASP 11 2HB ASP 11 7.489 -10.894 -3.521 100 H LYS 12 H LYS 12 9.915 -12.632 -0.197 101 HA LYS 12 HA LYS 12 9.971 -10.272 1.278 102 HB2 LYS 12 3HB LYS 12 12.222 -11.070 2.070 103 HB3 LYS 12 2HB LYS 12 12.116 -12.362 0.881 104 HG2 LYS 12 3HG LYS 12 11.462 -13.188 3.054 105 HG3 LYS 12 2HG LYS 12 10.063 -13.178 1.977 106 HD2 LYS 12 3HD LYS 12 9.334 -11.038 2.982 107 HD3 LYS 12 2HD LYS 12 10.701 -11.114 4.094 108 HE2 LYS 12 3HE LYS 12 8.467 -13.139 3.911 109 HE3 LYS 12 2HE LYS 12 8.626 -11.893 5.148 110 HZ1 LYS 12 3HZ LYS 12 9.421 -14.023 5.941 111 HZ2 LYS 12 1HZ LYS 12 10.695 -12.915 5.862 112 HZ3 LYS 12 2HZ LYS 12 10.535 -14.115 4.679 113 H LYS 13 H LYS 13 12.114 -11.186 -1.445 114 HA LYS 13 HA LYS 13 13.783 -8.923 -1.261 115 HB2 LYS 13 3HB LYS 13 14.403 -9.452 -3.642 116 HB3 LYS 13 2HB LYS 13 13.158 -10.696 -3.631 117 HG2 LYS 13 3HG LYS 13 15.411 -11.603 -3.213 118 HG3 LYS 13 2HG LYS 13 14.305 -11.889 -1.866 119 HD2 LYS 13 3HD LYS 13 15.260 -9.846 -0.759 120 HD3 LYS 13 2HD LYS 13 16.472 -9.791 -2.041 121 HE2 LYS 13 3HE LYS 13 17.354 -11.923 -1.386 122 HE3 LYS 13 2HE LYS 13 16.040 -12.164 -0.233 123 HZ1 LYS 13 3HZ LYS 13 18.046 -11.456 0.883 124 HZ2 LYS 13 1HZ LYS 13 16.854 -10.264 1.027 125 HZ3 LYS 13 2HZ LYS 13 18.127 -10.063 -0.067 126 H LEU 14 H LEU 14 10.715 -9.388 -2.932 127 HA LEU 14 HA LEU 14 10.753 -6.922 -4.356 128 HB2 LEU 14 3HB LEU 14 8.366 -8.543 -3.425 129 HB3 LEU 14 2HB LEU 14 9.272 -8.851 -4.892 130 HG LEU 14 HG LEU 14 8.592 -6.360 -5.477 131 HD11 LEU 14 1HD1 LEU 14 7.953 -8.302 -6.791 132 HD12 LEU 14 2HD1 LEU 14 6.577 -7.216 -6.599 133 HD13 LEU 14 3HD1 LEU 14 6.677 -8.691 -5.635 134 HD21 LEU 14 3HD2 LEU 14 6.416 -7.183 -3.542 135 HD22 LEU 14 1HD2 LEU 14 6.356 -5.794 -4.628 136 HD23 LEU 14 2HD2 LEU 14 7.547 -5.846 -3.332 137 H ILE 15 H ILE 15 9.494 -7.892 -1.180 138 HA ILE 15 HA ILE 15 8.409 -5.399 -0.420 139 HB ILE 15 HB ILE 15 9.592 -7.558 1.348 140 HG12 ILE 15 3HG1 ILE 15 7.755 -8.368 -0.088 141 HG13 ILE 15 2HG1 ILE 15 6.721 -7.066 0.489 142 HG21 ILE 15 1HG2 ILE 15 7.755 -5.259 2.049 143 HG22 ILE 15 2HG2 ILE 15 9.431 -5.462 2.560 144 HG23 ILE 15 3HG2 ILE 15 8.195 -6.578 3.135 145 HD11 ILE 15 3HD1 ILE 15 7.826 -9.324 2.142 146 HD12 ILE 15 1HD1 ILE 15 6.161 -9.132 1.593 147 HD13 ILE 15 2HD1 ILE 15 6.843 -7.997 2.758 148 H GLU 16 H GLU 16 11.659 -6.768 0.021 149 HA GLU 16 HA GLU 16 12.815 -4.708 1.511 150 HB2 GLU 16 3HB GLU 16 14.993 -5.513 0.524 151 HB3 GLU 16 2HB GLU 16 14.059 -6.578 -0.518 152 HG2 GLU 16 3HG GLU 16 13.152 -7.717 1.451 153 HG3 GLU 16 2HG GLU 16 14.077 -6.645 2.499 154 H GLU 17 H GLU 17 12.792 -5.134 -2.042 155 HA GLU 17 HA GLU 17 14.108 -2.807 -2.799 156 HB2 GLU 17 3HB GLU 17 12.680 -2.976 -4.906 157 HB3 GLU 17 2HB GLU 17 11.863 -4.325 -4.133 158 HG2 GLU 17 3HG GLU 17 13.539 -5.159 -5.638 159 HG3 GLU 17 2HG GLU 17 14.010 -5.517 -3.978 160 H ALA 18 H ALA 18 10.641 -3.259 -2.166 161 HA ALA 18 HA ALA 18 9.786 -0.667 -2.820 162 HB1 ALA 18 3HB ALA 18 8.265 -2.568 -2.535 163 HB2 ALA 18 1HB ALA 18 7.776 -1.190 -1.545 164 HB3 ALA 18 2HB ALA 18 8.593 -2.568 -0.800 165 H ARG 19 H ARG 19 10.631 -2.018 0.389 166 HA ARG 19 HA ARG 19 10.171 0.324 1.868 167 HB2 ARG 19 3HB ARG 19 11.641 -0.695 3.602 168 HB3 ARG 19 2HB ARG 19 12.107 -1.934 2.443 169 HG2 ARG 19 3HG ARG 19 9.858 -2.782 2.354 170 HG3 ARG 19 2HG ARG 19 9.273 -1.447 3.343 171 HD2 ARG 19 3HD ARG 19 9.488 -3.482 4.664 172 HD3 ARG 19 2HD ARG 19 10.598 -2.236 5.232 173 HE ARG 19 HE ARG 19 12.300 -3.508 3.805 174 HH11 ARG 19 1HH1 ARG 19 9.666 -4.999 5.457 175 HH12 ARG 19 2HH1 ARG 19 10.504 -6.496 5.670 176 HH21 ARG 19 2HH2 ARG 19 12.582 -6.725 4.906 177 HH22 ARG 19 1HH2 ARG 19 13.371 -5.408 4.110 178 H LYS 20 H LYS 20 13.186 -0.859 0.386 179 HA LYS 20 HA LYS 20 14.930 1.105 1.289 180 HB2 LYS 20 3HB LYS 20 16.253 0.622 -0.792 181 HB3 LYS 20 2HB LYS 20 14.911 -0.369 -1.353 182 HG2 LYS 20 3HG LYS 20 15.181 -1.810 0.640 183 HG3 LYS 20 2HG LYS 20 16.580 -0.846 1.116 184 HD2 LYS 20 3HD LYS 20 16.323 -2.390 -1.472 185 HD3 LYS 20 2HD LYS 20 17.220 -2.928 -0.053 186 HE2 LYS 20 3HE LYS 20 17.808 -0.411 -1.618 187 HE3 LYS 20 2HE LYS 20 18.674 -1.938 -1.786 188 HZ1 LYS 20 3HZ LYS 20 19.444 -1.772 0.456 189 HZ2 LYS 20 1HZ LYS 20 18.508 -0.392 0.742 190 HZ3 LYS 20 2HZ LYS 20 19.805 -0.325 -0.337 191 H MET 21 H MET 21 12.681 1.238 -1.444 192 HA MET 21 HA MET 21 13.565 3.812 -2.362 193 HB2 MET 21 3HB MET 21 11.290 3.728 -3.597 194 HB3 MET 21 2HB MET 21 11.167 2.092 -2.960 195 HG2 MET 21 3HG MET 21 12.042 2.003 -5.179 196 HG3 MET 21 2HG MET 21 13.319 1.552 -4.053 197 HE1 MET 21 3HE MET 21 12.003 5.218 -4.722 198 HE2 MET 21 1HE MET 21 11.861 4.438 -6.299 199 HE3 MET 21 2HE MET 21 13.050 5.713 -6.052 200 H ALA 22 H ALA 22 10.840 2.690 -0.373 201 HA ALA 22 HA ALA 22 9.445 5.070 -0.091 202 HB1 ALA 22 3HB ALA 22 9.806 2.924 2.004 203 HB2 ALA 22 1HB ALA 22 8.622 2.899 0.695 204 HB3 ALA 22 2HB ALA 22 8.516 4.128 1.958 205 H GLU 23 H GLU 23 12.339 3.993 1.587 206 HA GLU 23 HA GLU 23 12.401 5.938 3.617 207 HB2 GLU 23 3HB GLU 23 14.800 5.382 3.801 208 HB3 GLU 23 2HB GLU 23 14.701 4.498 2.282 209 HG2 GLU 23 3HG GLU 23 13.143 2.918 3.267 210 HG3 GLU 23 2HG GLU 23 13.139 3.825 4.776 211 H LYS 24 H LYS 24 13.682 6.039 0.288 212 HA LYS 24 HA LYS 24 14.812 8.671 0.604 213 HB2 LYS 24 3HB LYS 24 14.874 8.656 -1.933 214 HB3 LYS 24 2HB LYS 24 14.170 7.048 -1.867 215 HG2 LYS 24 3HG LYS 24 16.762 7.727 -0.496 216 HG3 LYS 24 2HG LYS 24 16.682 7.189 -2.174 217 HD2 LYS 24 3HD LYS 24 15.505 5.134 -1.404 218 HD3 LYS 24 2HD LYS 24 15.766 5.657 0.261 219 HE2 LYS 24 3HE LYS 24 18.149 5.523 0.001 220 HE3 LYS 24 2HE LYS 24 17.991 5.212 -1.730 221 HZ1 LYS 24 3HZ LYS 24 17.030 3.422 0.436 222 HZ2 LYS 24 1HZ LYS 24 18.427 3.183 -0.487 223 HZ3 LYS 24 2HZ LYS 24 16.908 3.121 -1.224 224 H ALA 25 H ALA 25 11.729 7.365 -0.422 225 HA ALA 25 HA ALA 25 10.691 9.825 -1.466 226 HB1 ALA 25 3HB ALA 25 9.208 7.335 -0.620 227 HB2 ALA 25 1HB ALA 25 9.893 7.628 -2.220 228 HB3 ALA 25 2HB ALA 25 8.576 8.640 -1.624 229 H ASN 26 H ASN 26 11.030 8.565 1.707 230 HA ASN 26 HA ASN 26 10.508 9.377 3.770 231 HB2 ASN 26 3HB ASN 26 9.389 11.784 2.298 232 HB3 ASN 26 2HB ASN 26 11.065 11.596 2.792 233 HD21 ASN 26 2HD2 ASN 26 9.835 11.651 6.344 234 HD22 ASN 26 1HD2 ASN 26 10.442 10.378 5.350 235 H LEU 27 H LEU 27 8.657 7.735 2.192 236 HA LEU 27 HA LEU 27 6.036 8.554 3.253 237 HB2 LEU 27 3HB LEU 27 5.110 6.844 1.739 238 HB3 LEU 27 2HB LEU 27 6.735 6.405 1.243 239 HG LEU 27 HG LEU 27 7.043 8.626 0.237 240 HD11 LEU 27 1HD1 LEU 27 4.497 7.287 -0.674 241 HD12 LEU 27 2HD1 LEU 27 6.133 6.819 -1.137 242 HD13 LEU 27 3HD1 LEU 27 5.493 8.387 -1.627 243 HD21 LEU 27 3HD2 LEU 27 4.194 9.131 1.112 244 HD22 LEU 27 1HD2 LEU 27 5.141 10.175 0.049 245 HD23 LEU 27 2HD2 LEU 27 5.638 9.938 1.723 246 H GLU 28 H GLU 28 4.710 7.035 4.395 247 HA GLU 28 HA GLU 28 6.240 5.225 6.096 248 HB2 GLU 28 3HB GLU 28 3.318 6.020 6.160 249 HB3 GLU 28 2HB GLU 28 4.602 6.740 7.120 250 HG2 GLU 28 3HG GLU 28 3.708 3.863 7.302 251 HG3 GLU 28 2HG GLU 28 3.208 5.153 8.392 252 H LEU 29 H LEU 29 6.637 3.250 5.254 253 HA LEU 29 HA LEU 29 4.544 1.950 3.641 254 HB2 LEU 29 3HB LEU 29 7.475 1.230 3.848 255 HB3 LEU 29 2HB LEU 29 6.807 2.318 2.647 256 HG LEU 29 HG LEU 29 5.312 0.297 1.957 257 HD11 LEU 29 1HD1 LEU 29 7.088 1.247 0.570 258 HD12 LEU 29 2HD1 LEU 29 7.043 -0.509 0.438 259 HD13 LEU 29 3HD1 LEU 29 8.284 0.267 1.420 260 HD21 LEU 29 3HD2 LEU 29 5.801 -1.169 3.834 261 HD22 LEU 29 1HD2 LEU 29 7.521 -1.132 3.448 262 HD23 LEU 29 2HD2 LEU 29 6.384 -1.896 2.338 263 H ARG 30 H ARG 30 3.386 0.381 4.523 264 HA ARG 30 HA ARG 30 4.482 -1.120 6.824 265 HB2 ARG 30 3HB ARG 30 2.126 -1.410 7.556 266 HB3 ARG 30 2HB ARG 30 1.599 -0.425 6.199 267 HG2 ARG 30 3HG ARG 30 1.594 0.966 8.124 268 HG3 ARG 30 2HG ARG 30 2.970 1.456 7.134 269 HD2 ARG 30 3HD ARG 30 4.390 -0.068 8.585 270 HD3 ARG 30 2HD ARG 30 3.001 -0.185 9.662 271 HE ARG 30 HE ARG 30 4.751 2.088 9.298 272 HH11 ARG 30 1HH1 ARG 30 1.673 1.052 10.473 273 HH12 ARG 30 2HH1 ARG 30 1.536 2.364 11.586 274 HH21 ARG 30 2HH2 ARG 30 3.186 3.824 11.796 275 HH22 ARG 30 1HH2 ARG 30 4.573 3.742 10.764 276 H THR 31 H THR 31 4.487 -3.319 6.744 277 HA THR 31 HA THR 31 3.975 -4.556 4.162 278 HB THR 31 HB THR 31 5.064 -6.553 5.135 279 HG1 THR 31 HG1 THR 31 4.331 -6.131 7.342 280 HG21 THR 31 3HG2 THR 31 6.448 -4.794 4.104 281 HG22 THR 31 1HG2 THR 31 7.296 -5.593 5.430 282 HG23 THR 31 2HG2 THR 31 6.592 -3.995 5.670 283 H VAL 32 H VAL 32 2.137 -5.572 3.664 284 HA VAL 32 HA VAL 32 0.346 -6.478 5.816 285 HB VAL 32 HB VAL 32 -0.220 -6.047 2.873 286 HG11 VAL 32 1HG1 VAL 32 -2.105 -6.765 5.125 287 HG12 VAL 32 2HG1 VAL 32 -1.628 -7.816 3.790 288 HG13 VAL 32 3HG1 VAL 32 -2.581 -6.366 3.472 289 HG21 VAL 32 3HG2 VAL 32 -1.526 -4.114 3.614 290 HG22 VAL 32 1HG2 VAL 32 0.164 -3.955 4.093 291 HG23 VAL 32 2HG2 VAL 32 -1.052 -4.421 5.284 292 H LYS 33 H LYS 33 0.110 -8.582 6.233 293 HA LYS 33 HA LYS 33 1.359 -10.543 4.443 294 HB2 LYS 33 3HB LYS 33 1.332 -12.038 6.370 295 HB3 LYS 33 2HB LYS 33 0.371 -10.882 7.285 296 HG2 LYS 33 3HG LYS 33 2.269 -9.258 7.073 297 HG3 LYS 33 2HG LYS 33 3.224 -10.556 6.356 298 HD2 LYS 33 3HD LYS 33 3.008 -11.879 8.391 299 HD3 LYS 33 2HD LYS 33 1.973 -10.642 9.109 300 HE2 LYS 33 3HE LYS 33 3.855 -9.026 8.916 301 HE3 LYS 33 2HE LYS 33 4.880 -10.342 8.345 302 HZ1 LYS 33 3HZ LYS 33 4.558 -11.477 10.438 303 HZ2 LYS 33 1HZ LYS 33 3.530 -10.251 10.988 304 HZ3 LYS 33 2HZ LYS 33 5.166 -9.926 10.707 305 H THR 34 H THR 34 -1.758 -9.836 5.975 306 HA THR 34 HA THR 34 -3.075 -11.802 4.215 307 HB THR 34 HB THR 34 -4.493 -12.619 6.042 308 HG1 THR 34 HG1 THR 34 -4.045 -11.987 8.196 309 HG21 THR 34 3HG2 THR 34 -1.559 -12.848 6.746 310 HG22 THR 34 1HG2 THR 34 -2.422 -13.860 5.586 311 HG23 THR 34 2HG2 THR 34 -2.843 -13.925 7.298 312 H GLU 35 H GLU 35 -5.547 -11.603 4.454 313 HA GLU 35 HA GLU 35 -6.595 -9.116 3.827 314 HB2 GLU 35 3HB GLU 35 -7.962 -11.410 5.267 315 HB3 GLU 35 2HB GLU 35 -7.740 -11.305 3.531 316 HG2 GLU 35 3HG GLU 35 -9.239 -9.139 4.936 317 HG3 GLU 35 2HG GLU 35 -10.027 -10.683 4.625 318 H ASP 36 H ASP 36 -6.429 -10.729 6.981 319 HA ASP 36 HA ASP 36 -7.745 -8.767 8.503 320 HB2 ASP 36 3HB ASP 36 -5.594 -10.669 9.461 321 HB3 ASP 36 2HB ASP 36 -7.271 -11.134 9.195 322 H GLU 37 H GLU 37 -4.259 -9.259 7.864 323 HA GLU 37 HA GLU 37 -3.224 -7.156 9.375 324 HB2 GLU 37 3HB GLU 37 -1.357 -7.114 7.659 325 HB3 GLU 37 2HB GLU 37 -2.271 -8.304 6.747 326 HG2 GLU 37 3HG GLU 37 -0.614 -9.459 7.982 327 HG3 GLU 37 2HG GLU 37 -2.169 -9.808 8.732 328 H LEU 38 H LEU 38 -4.339 -7.086 5.982 329 HA LEU 38 HA LEU 38 -3.846 -4.403 5.419 330 HB2 LEU 38 3HB LEU 38 -6.298 -5.855 4.425 331 HB3 LEU 38 2HB LEU 38 -4.696 -6.321 3.897 332 HG LEU 38 HG LEU 38 -5.642 -4.933 2.198 333 HD11 LEU 38 1HD1 LEU 38 -7.378 -3.813 3.469 334 HD12 LEU 38 2HD1 LEU 38 -6.403 -2.640 2.587 335 HD13 LEU 38 3HD1 LEU 38 -6.168 -2.857 4.321 336 HD21 LEU 38 3HD2 LEU 38 -4.053 -3.071 2.100 337 HD22 LEU 38 1HD2 LEU 38 -3.278 -4.569 2.611 338 HD23 LEU 38 2HD2 LEU 38 -3.656 -3.322 3.801 339 H LYS 39 H LYS 39 -6.857 -5.853 6.679 340 HA LYS 39 HA LYS 39 -8.316 -3.514 7.114 341 HB2 LYS 39 3HB LYS 39 -8.356 -6.107 8.678 342 HB3 LYS 39 2HB LYS 39 -9.302 -5.746 7.241 343 HG2 LYS 39 3HG LYS 39 -10.607 -4.115 8.421 344 HG3 LYS 39 2HG LYS 39 -9.562 -4.233 9.838 345 HD2 LYS 39 3HD LYS 39 -11.598 -5.469 10.246 346 HD3 LYS 39 2HD LYS 39 -10.244 -6.593 10.121 347 HE2 LYS 39 3HE LYS 39 -12.102 -7.522 8.926 348 HE3 LYS 39 2HE LYS 39 -10.887 -7.020 7.750 349 HZ1 LYS 39 3HZ LYS 39 -13.321 -5.479 8.473 350 HZ2 LYS 39 1HZ LYS 39 -13.112 -6.390 7.064 351 HZ3 LYS 39 2HZ LYS 39 -12.164 -5.018 7.333 352 H LYS 40 H LYS 40 -6.005 -5.149 9.269 353 HA LYS 40 HA LYS 40 -6.289 -3.602 11.566 354 HB2 LYS 40 3HB LYS 40 -3.850 -4.966 10.412 355 HB3 LYS 40 2HB LYS 40 -4.962 -5.603 11.616 356 HG2 LYS 40 3HG LYS 40 -4.191 -3.936 13.231 357 HG3 LYS 40 2HG LYS 40 -3.088 -3.270 12.023 358 HD2 LYS 40 3HD LYS 40 -1.978 -5.506 11.896 359 HD3 LYS 40 2HD LYS 40 -3.003 -6.038 13.231 360 HE2 LYS 40 3HE LYS 40 -1.013 -3.768 13.316 361 HE3 LYS 40 2HE LYS 40 -0.795 -5.363 14.030 362 HZ1 LYS 40 3HZ LYS 40 -1.470 -3.734 15.677 363 HZ2 LYS 40 1HZ LYS 40 -2.650 -4.932 15.506 364 HZ3 LYS 40 2HZ LYS 40 -2.887 -3.407 14.816 365 H TYR 41 H TYR 41 -3.989 -3.073 8.864 366 HA TYR 41 HA TYR 41 -2.941 -0.660 9.902 367 HB2 TYR 41 3HB TYR 41 -2.097 -0.289 7.564 368 HB3 TYR 41 2HB TYR 41 -2.993 -1.724 7.072 369 HD1 TYR 41 HD1 TYR 41 -0.604 -0.754 9.790 370 HD2 TYR 41 HD2 TYR 41 -1.735 -3.674 6.899 371 HE1 TYR 41 HE1 TYR 41 1.305 -2.150 10.456 372 HE2 TYR 41 HE2 TYR 41 0.172 -5.074 7.566 373 HH TYR 41 HH TYR 41 1.907 -4.602 10.385 374 H LEU 42 H LEU 42 -5.718 -1.303 7.811 375 HA LEU 42 HA LEU 42 -6.290 1.365 7.122 376 HB2 LEU 42 3HB LEU 42 -8.669 0.549 6.888 377 HB3 LEU 42 2HB LEU 42 -8.120 -1.005 7.486 378 HG LEU 42 HG LEU 42 -6.726 -1.336 5.554 379 HD11 LEU 42 1HD1 LEU 42 -8.409 -1.382 3.782 380 HD12 LEU 42 2HD1 LEU 42 -9.441 -0.306 4.726 381 HD13 LEU 42 3HD1 LEU 42 -9.078 -1.929 5.319 382 HD21 LEU 42 3HD2 LEU 42 -6.603 0.304 3.729 383 HD22 LEU 42 1HD2 LEU 42 -5.925 0.940 5.227 384 HD23 LEU 42 2HD2 LEU 42 -7.528 1.451 4.698 385 H GLU 43 H GLU 43 -7.290 -0.547 9.966 386 HA GLU 43 HA GLU 43 -8.935 1.317 11.223 387 HB2 GLU 43 3HB GLU 43 -8.069 0.254 13.392 388 HB3 GLU 43 2HB GLU 43 -7.034 -0.733 12.366 389 HG2 GLU 43 3HG GLU 43 -8.994 -1.985 12.936 390 HG3 GLU 43 2HG GLU 43 -9.044 -1.593 11.217 391 H GLU 44 H GLU 44 -5.405 1.087 11.254 392 HA GLU 44 HA GLU 44 -4.855 3.206 13.021 393 HB2 GLU 44 3HB GLU 44 -3.305 2.007 10.722 394 HB3 GLU 44 2HB GLU 44 -3.095 1.705 12.438 395 HG2 GLU 44 3HG GLU 44 -2.275 4.013 12.726 396 HG3 GLU 44 2HG GLU 44 -2.430 4.265 10.986 397 H PHE 45 H PHE 45 -5.402 3.166 9.521 398 HA PHE 45 HA PHE 45 -4.775 5.940 9.152 399 HB2 PHE 45 3HB PHE 45 -5.496 5.595 6.844 400 HB3 PHE 45 2HB PHE 45 -6.227 4.054 7.281 401 HD1 PHE 45 HD1 PHE 45 -4.946 2.826 5.646 402 HD2 PHE 45 HD2 PHE 45 -2.999 5.084 8.690 403 HE1 PHE 45 HE1 PHE 45 -2.835 1.667 5.161 404 HE2 PHE 45 HE2 PHE 45 -0.891 3.921 8.206 405 HZ PHE 45 HZ PHE 45 -0.806 2.209 6.440 406 H ARG 46 H ARG 46 -7.745 4.165 9.775 407 HA ARG 46 HA ARG 46 -9.639 6.010 8.881 408 HB2 ARG 46 3HB ARG 46 -11.178 5.012 10.583 409 HB3 ARG 46 2HB ARG 46 -9.804 4.143 11.261 410 HG2 ARG 46 3HG ARG 46 -9.485 3.005 9.102 411 HG3 ARG 46 2HG ARG 46 -10.898 3.840 8.467 412 HD2 ARG 46 3HD ARG 46 -11.002 2.060 10.887 413 HD3 ARG 46 2HD ARG 46 -11.262 1.472 9.251 414 HE ARG 46 HE ARG 46 -12.968 3.660 9.778 415 HH11 ARG 46 1HH1 ARG 46 -12.562 0.347 10.649 416 HH12 ARG 46 2HH1 ARG 46 -14.265 0.063 10.765 417 HH21 ARG 46 2HH2 ARG 46 -15.702 1.688 10.386 418 HH22 ARG 46 1HH2 ARG 46 -15.147 3.267 9.940 419 H LYS 47 H LYS 47 -7.704 6.050 11.805 420 HA LYS 47 HA LYS 47 -9.012 8.021 13.286 421 HB2 LYS 47 3HB LYS 47 -6.791 8.501 14.276 422 HB3 LYS 47 2HB LYS 47 -6.028 7.560 13.002 423 HG2 LYS 47 3HG LYS 47 -7.186 5.547 13.791 424 HG3 LYS 47 2HG LYS 47 -7.939 6.490 15.079 425 HD2 LYS 47 3HD LYS 47 -4.974 6.017 14.708 426 HD3 LYS 47 2HD LYS 47 -6.004 5.268 15.931 427 HE2 LYS 47 3HE LYS 47 -5.413 8.220 15.693 428 HE3 LYS 47 2HE LYS 47 -4.694 7.116 16.862 429 HZ1 LYS 47 3HZ LYS 47 -6.547 8.423 17.775 430 HZ2 LYS 47 1HZ LYS 47 -6.831 6.758 17.853 431 HZ3 LYS 47 2HZ LYS 47 -7.597 7.692 16.675 432 H GLU 48 H GLU 48 -6.586 8.386 10.716 433 HA GLU 48 HA GLU 48 -6.960 11.303 10.752 434 HB2 GLU 48 3HB GLU 48 -4.872 11.360 9.414 435 HB3 GLU 48 2HB GLU 48 -4.806 9.604 9.476 436 HG2 GLU 48 3HG GLU 48 -3.286 10.570 11.091 437 HG3 GLU 48 2HG GLU 48 -4.577 9.691 11.911 438 H SER 49 H SER 49 -8.870 9.373 9.464 439 HA SER 49 HA SER 49 -8.553 9.540 6.634 440 HB2 SER 49 3HB SER 49 -11.048 9.034 8.275 441 HB3 SER 49 2HB SER 49 -9.972 7.812 7.601 442 HG SER 49 HG SER 49 -11.956 9.296 6.381 443 H GLN 50 H GLN 50 -7.963 11.878 6.713 444 HA GLN 50 HA GLN 50 -10.268 13.534 5.998 445 HB2 GLN 50 3HB GLN 50 -9.332 15.459 7.311 446 HB3 GLN 50 2HB GLN 50 -8.188 14.352 8.051 447 HG2 GLN 50 3HG GLN 50 -10.008 14.771 9.560 448 HG3 GLN 50 2HG GLN 50 -10.051 13.091 9.031 449 HE21 GLN 50 2HE2 GLN 50 -13.471 13.634 8.568 450 HE22 GLN 50 1HE2 GLN 50 -12.242 12.905 9.543 451 H ASN 51 H ASN 51 -6.758 13.796 6.543 452 HA ASN 51 HA ASN 51 -6.453 14.970 3.844 453 HB2 ASN 51 3HB ASN 51 -4.635 16.269 4.663 454 HB3 ASN 51 2HB ASN 51 -4.491 15.300 6.125 455 HD21 ASN 51 2HD2 ASN 51 -6.845 17.097 7.940 456 HD22 ASN 51 1HD2 ASN 51 -5.831 15.702 7.850 457 H ILE 52 H ILE 52 -6.521 12.133 4.259 458 HA ILE 52 HA ILE 52 -3.671 11.371 4.053 459 HB ILE 52 HB ILE 52 -4.771 10.556 6.134 460 HG12 ILE 52 3HG1 ILE 52 -2.878 9.312 5.106 461 HG13 ILE 52 2HG1 ILE 52 -4.028 8.345 4.190 462 HG21 ILE 52 1HG2 ILE 52 -6.491 8.941 4.251 463 HG22 ILE 52 2HG2 ILE 52 -7.035 10.279 5.262 464 HG23 ILE 52 3HG2 ILE 52 -6.457 8.788 6.008 465 HD11 ILE 52 3HD1 ILE 52 -3.203 7.131 6.110 466 HD12 ILE 52 1HD1 ILE 52 -4.932 7.440 6.268 467 HD13 ILE 52 2HD1 ILE 52 -3.774 8.405 7.186 468 H LYS 53 H LYS 53 -3.019 10.020 2.430 469 HA LYS 53 HA LYS 53 -5.062 8.651 0.800 470 HB2 LYS 53 3HB LYS 53 -3.816 9.086 -1.241 471 HB3 LYS 53 2HB LYS 53 -2.563 9.930 -0.343 472 HG2 LYS 53 3HG LYS 53 -3.998 11.756 0.133 473 HG3 LYS 53 2HG LYS 53 -5.418 10.876 -0.446 474 HD2 LYS 53 3HD LYS 53 -3.086 11.800 -2.139 475 HD3 LYS 53 2HD LYS 53 -4.690 12.535 -2.088 476 HE2 LYS 53 3HE LYS 53 -4.039 9.736 -3.027 477 HE3 LYS 53 2HE LYS 53 -4.464 11.105 -4.050 478 HZ1 LYS 53 3HZ LYS 53 -6.646 11.160 -3.026 479 HZ2 LYS 53 1HZ LYS 53 -6.240 9.868 -2.016 480 HZ3 LYS 53 2HZ LYS 53 -6.350 9.639 -3.686 481 H VAL 54 H VAL 54 -4.642 6.508 0.497 482 HA VAL 54 HA VAL 54 -1.994 5.521 1.384 483 HB VAL 54 HB VAL 54 -4.638 4.046 1.463 484 HG11 VAL 54 1HG1 VAL 54 -2.736 2.539 1.187 485 HG12 VAL 54 2HG1 VAL 54 -3.419 2.383 2.805 486 HG13 VAL 54 3HG1 VAL 54 -1.923 3.287 2.562 487 HG21 VAL 54 3HG2 VAL 54 -4.481 4.321 3.913 488 HG22 VAL 54 1HG2 VAL 54 -4.634 5.864 3.074 489 HG23 VAL 54 2HG2 VAL 54 -3.064 5.348 3.691 490 H LEU 55 H LEU 55 -0.747 4.730 -0.197 491 HA LEU 55 HA LEU 55 -1.902 3.719 -2.687 492 HB2 LEU 55 3HB LEU 55 0.980 4.053 -1.820 493 HB3 LEU 55 2HB LEU 55 0.062 5.205 -2.771 494 HG LEU 55 HG LEU 55 0.703 2.394 -3.691 495 HD11 LEU 55 1HD1 LEU 55 -1.273 3.351 -4.745 496 HD12 LEU 55 2HD1 LEU 55 0.058 3.231 -5.897 497 HD13 LEU 55 3HD1 LEU 55 -0.357 4.793 -5.187 498 HD21 LEU 55 3HD2 LEU 55 2.098 4.981 -4.374 499 HD22 LEU 55 1HD2 LEU 55 2.402 3.416 -5.127 500 HD23 LEU 55 2HD2 LEU 55 2.766 3.658 -3.420 501 H ILE 56 H ILE 56 -2.249 1.577 -3.037 502 HA ILE 56 HA ILE 56 -0.956 -0.353 -1.204 503 HB ILE 56 HB ILE 56 -3.670 -0.604 -2.525 504 HG12 ILE 56 3HG1 ILE 56 -3.658 1.040 -0.693 505 HG13 ILE 56 2HG1 ILE 56 -2.912 -0.141 0.379 506 HG21 ILE 56 1HG2 ILE 56 -2.294 -2.456 -0.564 507 HG22 ILE 56 2HG2 ILE 56 -2.544 -2.771 -2.280 508 HG23 ILE 56 3HG2 ILE 56 -3.930 -2.645 -1.199 509 HD11 ILE 56 3HD1 ILE 56 -5.283 0.083 0.825 510 HD12 ILE 56 1HD1 ILE 56 -4.902 -1.537 0.245 511 HD13 ILE 56 2HD1 ILE 56 -5.653 -0.365 -0.839 512 H LEU 57 H LEU 57 0.440 -1.686 -2.125 513 HA LEU 57 HA LEU 57 0.240 -2.252 -5.020 514 HB2 LEU 57 3HB LEU 57 2.649 -2.898 -4.847 515 HB3 LEU 57 2HB LEU 57 2.633 -2.394 -3.171 516 HG LEU 57 HG LEU 57 3.669 -0.754 -4.754 517 HD11 LEU 57 1HD1 LEU 57 0.839 -0.375 -5.733 518 HD12 LEU 57 2HD1 LEU 57 2.168 -1.090 -6.651 519 HD13 LEU 57 3HD1 LEU 57 2.239 0.606 -6.172 520 HD21 LEU 57 3HD2 LEU 57 1.236 0.271 -3.288 521 HD22 LEU 57 1HD2 LEU 57 2.646 1.215 -3.773 522 HD23 LEU 57 2HD2 LEU 57 2.811 -0.054 -2.561 523 H VAL 58 H VAL 58 -0.519 -4.224 -5.519 524 HA VAL 58 HA VAL 58 -0.116 -6.435 -3.584 525 HB VAL 58 HB VAL 58 -2.242 -7.393 -4.354 526 HG11 VAL 58 1HG1 VAL 58 -3.752 -5.777 -3.317 527 HG12 VAL 58 2HG1 VAL 58 -2.517 -4.523 -3.450 528 HG13 VAL 58 3HG1 VAL 58 -2.249 -5.920 -2.408 529 HG21 VAL 58 3HG2 VAL 58 -2.483 -4.871 -6.002 530 HG22 VAL 58 1HG2 VAL 58 -3.760 -6.064 -5.762 531 HG23 VAL 58 2HG2 VAL 58 -2.287 -6.513 -6.622 532 H SER 59 H SER 59 0.222 -8.555 -4.416 533 HA SER 59 HA SER 59 1.449 -8.608 -7.071 534 HB2 SER 59 3HB SER 59 2.702 -9.590 -5.210 535 HB3 SER 59 2HB SER 59 2.295 -10.832 -6.395 536 HG SER 59 HG SER 59 1.911 -11.231 -4.015 537 H ASN 60 H ASN 60 -1.520 -9.542 -5.619 538 HA ASN 60 HA ASN 60 -2.169 -11.276 -7.930 539 HB2 ASN 60 3HB ASN 60 -3.655 -12.569 -6.456 540 HB3 ASN 60 2HB ASN 60 -3.210 -11.545 -5.097 541 HD21 ASN 60 2HD2 ASN 60 -0.913 -14.029 -4.293 542 HD22 ASN 60 1HD2 ASN 60 -2.387 -13.225 -3.891 543 H ASP 61 H ASP 61 -4.124 -10.961 -8.967 544 HA ASP 61 HA ASP 61 -5.409 -8.459 -8.778 545 HB2 ASP 61 3HB ASP 61 -7.135 -9.497 -10.292 546 HB3 ASP 61 2HB ASP 61 -6.295 -11.033 -10.100 547 H GLU 62 H GLU 62 -6.225 -11.582 -7.356 548 HA GLU 62 HA GLU 62 -8.787 -10.907 -6.385 549 HB2 GLU 62 3HB GLU 62 -6.764 -12.892 -5.319 550 HB3 GLU 62 2HB GLU 62 -8.008 -13.215 -6.519 551 HG2 GLU 62 3HG GLU 62 -9.696 -12.584 -4.723 552 HG3 GLU 62 2HG GLU 62 -8.350 -12.677 -3.585 553 H GLU 63 H GLU 63 -5.610 -10.822 -4.746 554 HA GLU 63 HA GLU 63 -6.467 -9.642 -2.349 555 HB2 GLU 63 3HB GLU 63 -4.148 -9.061 -1.966 556 HB3 GLU 63 2HB GLU 63 -3.784 -9.193 -3.681 557 HG2 GLU 63 3HG GLU 63 -2.927 -11.108 -2.479 558 HG3 GLU 63 2HG GLU 63 -4.191 -11.595 -3.604 559 H LEU 64 H LEU 64 -5.652 -8.242 -5.466 560 HA LEU 64 HA LEU 64 -5.647 -5.515 -4.840 561 HB2 LEU 64 3HB LEU 64 -6.686 -6.859 -7.347 562 HB3 LEU 64 2HB LEU 64 -5.006 -6.464 -7.040 563 HG LEU 64 HG LEU 64 -7.196 -4.385 -7.214 564 HD11 LEU 64 1HD1 LEU 64 -4.192 -4.136 -7.340 565 HD12 LEU 64 2HD1 LEU 64 -5.206 -3.714 -5.959 566 HD13 LEU 64 3HD1 LEU 64 -5.358 -2.816 -7.469 567 HD21 LEU 64 3HD2 LEU 64 -6.380 -3.911 -9.471 568 HD22 LEU 64 1HD2 LEU 64 -7.013 -5.553 -9.352 569 HD23 LEU 64 2HD2 LEU 64 -5.269 -5.278 -9.363 570 H ASP 65 H ASP 65 -8.341 -7.649 -5.755 571 HA ASP 65 HA ASP 65 -10.306 -5.591 -5.650 572 HB2 ASP 65 3HB ASP 65 -11.056 -8.479 -5.375 573 HB3 ASP 65 2HB ASP 65 -10.316 -7.929 -6.876 574 H LYS 66 H LYS 66 -9.217 -8.045 -3.339 575 HA LYS 66 HA LYS 66 -11.157 -7.573 -1.350 576 HB2 LYS 66 3HB LYS 66 -9.513 -8.566 0.223 577 HB3 LYS 66 2HB LYS 66 -8.288 -8.481 -1.034 578 HG2 LYS 66 3HG LYS 66 -9.238 -10.735 -0.772 579 HG3 LYS 66 2HG LYS 66 -9.482 -10.074 -2.388 580 HD2 LYS 66 3HD LYS 66 -11.474 -11.245 -1.514 581 HD3 LYS 66 2HD LYS 66 -11.786 -9.553 -1.890 582 HE2 LYS 66 3HE LYS 66 -11.542 -9.002 0.506 583 HE3 LYS 66 2HE LYS 66 -11.301 -10.713 0.855 584 HZ1 LYS 66 3HZ LYS 66 -13.591 -9.969 1.236 585 HZ2 LYS 66 1HZ LYS 66 -13.501 -11.184 0.069 586 HZ3 LYS 66 2HZ LYS 66 -13.738 -9.580 -0.401 587 H ALA 67 H ALA 67 -7.970 -6.077 -1.885 588 HA ALA 67 HA ALA 67 -7.883 -4.427 0.369 589 HB1 ALA 67 3HB ALA 67 -6.746 -3.878 -2.377 590 HB2 ALA 67 1HB ALA 67 -5.965 -4.814 -1.102 591 HB3 ALA 67 2HB ALA 67 -6.258 -3.087 -0.876 592 H LYS 68 H LYS 68 -9.222 -3.721 -2.874 593 HA LYS 68 HA LYS 68 -10.099 -1.098 -2.171 594 HB2 LYS 68 3HB LYS 68 -9.777 -1.453 -4.478 595 HB3 LYS 68 2HB LYS 68 -11.514 -1.288 -4.275 596 HG2 LYS 68 3HG LYS 68 -11.811 -3.675 -4.459 597 HG3 LYS 68 2HG LYS 68 -10.064 -3.916 -4.517 598 HD2 LYS 68 3HD LYS 68 -10.682 -4.045 -6.758 599 HD3 LYS 68 2HD LYS 68 -10.126 -2.380 -6.593 600 HE2 LYS 68 3HE LYS 68 -12.130 -2.290 -7.851 601 HE3 LYS 68 2HE LYS 68 -12.543 -1.731 -6.231 602 HZ1 LYS 68 3HZ LYS 68 -13.458 -3.897 -5.732 603 HZ2 LYS 68 1HZ LYS 68 -13.009 -4.483 -7.256 604 HZ3 LYS 68 2HZ LYS 68 -14.188 -3.273 -7.123 605 H GLU 69 H GLU 69 -11.612 -4.284 -1.913 606 HA GLU 69 HA GLU 69 -14.221 -3.412 -1.272 607 HB2 GLU 69 3HB GLU 69 -14.335 -5.564 0.110 608 HB3 GLU 69 2HB GLU 69 -12.682 -5.864 -0.405 609 HG2 GLU 69 3HG GLU 69 -13.303 -6.158 -2.641 610 HG3 GLU 69 2HG GLU 69 -14.877 -5.395 -2.397 611 H LEU 70 H LEU 70 -11.534 -4.277 0.930 612 HA LEU 70 HA LEU 70 -12.723 -3.503 3.321 613 HB2 LEU 70 3HB LEU 70 -10.348 -3.142 4.129 614 HB3 LEU 70 2HB LEU 70 -9.821 -3.448 2.484 615 HG LEU 70 HG LEU 70 -10.794 -5.722 2.608 616 HD11 LEU 70 1HD1 LEU 70 -8.875 -5.083 4.851 617 HD12 LEU 70 2HD1 LEU 70 -8.443 -5.401 3.170 618 HD13 LEU 70 3HD1 LEU 70 -9.157 -6.679 4.153 619 HD21 LEU 70 3HD2 LEU 70 -12.570 -5.291 4.213 620 HD22 LEU 70 1HD2 LEU 70 -11.380 -4.992 5.480 621 HD23 LEU 70 2HD2 LEU 70 -11.534 -6.600 4.775 622 H ALA 71 H ALA 71 -10.726 -1.529 1.119 623 HA ALA 71 HA ALA 71 -10.753 0.878 2.493 624 HB1 ALA 71 3HB ALA 71 -10.372 1.961 0.350 625 HB2 ALA 71 1HB ALA 71 -10.926 0.514 -0.499 626 HB3 ALA 71 2HB ALA 71 -9.445 0.462 0.460 627 H GLN 72 H GLN 72 -13.085 -0.099 -0.051 628 HA GLN 72 HA GLN 72 -14.801 2.105 0.199 629 HB2 GLN 72 3HB GLN 72 -16.510 0.610 -0.884 630 HB3 GLN 72 2HB GLN 72 -15.366 -0.715 -0.733 631 HG2 GLN 72 3HG GLN 72 -13.780 0.489 -2.155 632 HG3 GLN 72 2HG GLN 72 -14.930 1.818 -2.308 633 HE21 GLN 72 2HE2 GLN 72 -15.125 -0.617 -5.182 634 HE22 GLN 72 1HE2 GLN 72 -13.784 0.113 -4.373 635 H LYS 73 H LYS 73 -15.046 -1.113 1.717 636 HA LYS 73 HA LYS 73 -17.537 -0.567 2.994 637 HB2 LYS 73 3HB LYS 73 -17.089 -2.714 4.214 638 HB3 LYS 73 2HB LYS 73 -15.507 -2.766 3.445 639 HG2 LYS 73 3HG LYS 73 -16.569 -2.868 1.241 640 HG3 LYS 73 2HG LYS 73 -18.161 -2.782 2.002 641 HD2 LYS 73 3HD LYS 73 -17.622 -4.894 3.224 642 HD3 LYS 73 2HD LYS 73 -16.132 -5.003 2.283 643 HE2 LYS 73 3HE LYS 73 -18.907 -4.913 1.096 644 HE3 LYS 73 2HE LYS 73 -17.986 -6.389 1.377 645 HZ1 LYS 73 3HZ LYS 73 -16.335 -5.674 -0.181 646 HZ2 LYS 73 1HZ LYS 73 -17.085 -4.168 -0.375 647 HZ3 LYS 73 2HZ LYS 73 -17.848 -5.570 -0.924 648 H MET 74 H MET 74 -14.247 0.060 3.910 649 HA MET 74 HA MET 74 -15.080 0.689 6.664 650 HB2 MET 74 3HB MET 74 -12.663 0.830 7.162 651 HB3 MET 74 2HB MET 74 -12.302 0.509 5.470 652 HG2 MET 74 3HG MET 74 -13.460 -1.681 5.698 653 HG3 MET 74 2HG MET 74 -13.643 -1.357 7.420 654 HE1 MET 74 3HE MET 74 -11.625 -1.175 9.123 655 HE2 MET 74 1HE MET 74 -10.867 0.074 8.136 656 HE3 MET 74 2HE MET 74 -9.930 -1.323 8.662 657 H GLU 75 H GLU 75 -14.959 2.213 3.774 658 HA GLU 75 HA GLU 75 -15.163 4.373 3.116 659 HB2 GLU 75 3HB GLU 75 -15.784 6.071 4.812 660 HB3 GLU 75 2HB GLU 75 -15.402 4.915 6.082 661 HG2 GLU 75 3HG GLU 75 -17.165 3.413 5.169 662 HG3 GLU 75 2HG GLU 75 -17.598 4.685 4.028 663 H ILE 76 H ILE 76 -12.659 3.658 2.868 664 HA ILE 76 HA ILE 76 -11.088 5.966 3.854 665 HB ILE 76 HB ILE 76 -10.073 3.136 3.448 666 HG12 ILE 76 3HG1 ILE 76 -11.431 3.419 5.494 667 HG13 ILE 76 2HG1 ILE 76 -10.385 4.744 5.997 668 HG21 ILE 76 1HG2 ILE 76 -7.936 3.962 4.325 669 HG22 ILE 76 2HG2 ILE 76 -8.591 5.596 4.397 670 HG23 ILE 76 3HG2 ILE 76 -8.380 4.799 2.838 671 HD11 ILE 76 3HD1 ILE 76 -9.843 2.657 7.135 672 HD12 ILE 76 1HD1 ILE 76 -8.500 3.229 6.146 673 HD13 ILE 76 2HD1 ILE 76 -9.510 1.897 5.581 674 H ASP 77 H ASP 77 -9.639 6.919 2.388 675 HA ASP 77 HA ASP 77 -10.063 6.335 -0.430 676 HB2 ASP 77 3HB ASP 77 -8.445 8.498 0.945 677 HB3 ASP 77 2HB ASP 77 -10.064 8.670 0.270 678 H VAL 78 H VAL 78 -8.874 4.776 -1.360 679 HA VAL 78 HA VAL 78 -5.986 4.670 -0.757 680 HB VAL 78 HB VAL 78 -5.963 2.265 -1.053 681 HG11 VAL 78 1HG1 VAL 78 -6.348 3.108 1.206 682 HG12 VAL 78 2HG1 VAL 78 -7.186 1.575 0.955 683 HG13 VAL 78 3HG1 VAL 78 -8.092 3.089 0.928 684 HG21 VAL 78 3HG2 VAL 78 -8.953 2.471 -1.449 685 HG22 VAL 78 1HG2 VAL 78 -8.042 0.969 -1.299 686 HG23 VAL 78 2HG2 VAL 78 -7.763 2.035 -2.675 687 H ARG 79 H ARG 79 -4.696 3.654 -2.485 688 HA ARG 79 HA ARG 79 -5.844 3.946 -5.186 689 HB2 ARG 79 3HB ARG 79 -3.039 4.777 -4.395 690 HB3 ARG 79 2HB ARG 79 -4.389 5.897 -4.489 691 HG2 ARG 79 3HG ARG 79 -4.639 5.371 -6.887 692 HG3 ARG 79 2HG ARG 79 -3.229 4.312 -6.780 693 HD2 ARG 79 3HD ARG 79 -1.810 6.168 -6.189 694 HD3 ARG 79 2HD ARG 79 -3.197 7.251 -6.083 695 HE ARG 79 HE ARG 79 -2.851 6.038 -8.671 696 HH11 ARG 79 1HH1 ARG 79 -2.004 8.688 -6.649 697 HH12 ARG 79 2HH1 ARG 79 -1.634 9.731 -7.975 698 HH21 ARG 79 2HH2 ARG 79 -1.823 9.004 -10.049 699 HH22 ARG 79 1HH2 ARG 79 -2.375 7.399 -10.373 700 H THR 80 H THR 80 -6.029 1.787 -5.641 701 HA THR 80 HA THR 80 -3.951 -0.077 -4.793 702 HB THR 80 HB THR 80 -5.561 -1.825 -5.652 703 HG1 THR 80 HG1 THR 80 -7.622 -1.166 -6.224 704 HG21 THR 80 3HG2 THR 80 -6.608 0.094 -3.563 705 HG22 THR 80 1HG2 THR 80 -5.477 -1.233 -3.285 706 HG23 THR 80 2HG2 THR 80 -7.134 -1.577 -3.782 707 H ARG 81 H ARG 81 -2.419 -0.863 -6.073 708 HA ARG 81 HA ARG 81 -2.926 -1.178 -8.955 709 HB2 ARG 81 3HB ARG 81 -0.495 -0.489 -9.341 710 HB3 ARG 81 2HB ARG 81 -0.513 0.151 -7.705 711 HG2 ARG 81 3HG ARG 81 -0.895 1.984 -9.137 712 HG3 ARG 81 2HG ARG 81 -2.457 1.604 -8.409 713 HD2 ARG 81 3HD ARG 81 -1.574 0.684 -11.150 714 HD3 ARG 81 2HD ARG 81 -2.580 2.098 -10.848 715 HE ARG 81 HE ARG 81 -4.127 0.359 -9.741 716 HH11 ARG 81 1HH1 ARG 81 -2.201 -0.178 -12.544 717 HH12 ARG 81 2HH1 ARG 81 -3.253 -1.400 -13.164 718 HH21 ARG 81 2HH2 ARG 81 -5.105 -1.955 -12.077 719 HH22 ARG 81 1HH2 ARG 81 -5.498 -1.186 -10.575 720 H LYS 82 H LYS 82 -2.102 -3.067 -9.835 721 HA LYS 82 HA LYS 82 -0.948 -4.964 -7.925 722 HB2 LYS 82 3HB LYS 82 -1.921 -5.399 -10.759 723 HB3 LYS 82 2HB LYS 82 -2.846 -5.713 -9.295 724 HG2 LYS 82 3HG LYS 82 -1.325 -7.470 -8.646 725 HG3 LYS 82 2HG LYS 82 -0.254 -7.093 -9.996 726 HD2 LYS 82 3HD LYS 82 -3.096 -8.086 -10.248 727 HD3 LYS 82 2HD LYS 82 -1.644 -9.073 -10.440 728 HE2 LYS 82 3HE LYS 82 -0.947 -7.692 -12.340 729 HE3 LYS 82 2HE LYS 82 -2.387 -6.693 -12.147 730 HZ1 LYS 82 3HZ LYS 82 -3.741 -8.657 -12.588 731 HZ2 LYS 82 1HZ LYS 82 -2.344 -9.575 -12.836 732 HZ3 LYS 82 2HZ LYS 82 -2.717 -8.300 -13.884 733 H VAL 83 H VAL 83 1.162 -5.291 -7.804 734 HA VAL 83 HA VAL 83 2.843 -4.855 -10.192 735 HB VAL 83 HB VAL 83 4.701 -4.236 -8.695 736 HG11 VAL 83 1HG1 VAL 83 3.876 -2.011 -8.052 737 HG12 VAL 83 2HG1 VAL 83 2.218 -2.555 -8.309 738 HG13 VAL 83 3HG1 VAL 83 3.338 -2.468 -9.670 739 HG21 VAL 83 3HG2 VAL 83 2.628 -4.393 -6.495 740 HG22 VAL 83 1HG2 VAL 83 4.251 -3.723 -6.318 741 HG23 VAL 83 2HG2 VAL 83 4.039 -5.435 -6.687 742 H THR 84 H THR 84 4.160 -6.461 -10.788 743 HA THR 84 HA THR 84 4.497 -8.797 -9.001 744 HB THR 84 HB THR 84 4.817 -10.156 -11.055 745 HG1 THR 84 HG1 THR 84 4.152 -9.124 -13.071 746 HG21 THR 84 3HG2 THR 84 2.473 -10.168 -11.801 747 HG22 THR 84 1HG2 THR 84 2.209 -8.618 -11.005 748 HG23 THR 84 2HG2 THR 84 2.587 -10.051 -10.045 749 H SER 85 H SER 85 6.011 -6.687 -11.372 750 HA SER 85 HA SER 85 8.677 -7.718 -10.814 751 HB2 SER 85 3HB SER 85 9.421 -6.053 -12.485 752 HB3 SER 85 2HB SER 85 7.776 -5.424 -12.583 753 HG SER 85 HG SER 85 7.955 -6.843 -14.241 754 HA PRO 86 HA PRO 86 9.276 -5.081 -7.275 755 HB2 PRO 86 2HB PRO 86 12.134 -5.150 -8.155 756 HB3 PRO 86 3HB PRO 86 11.432 -5.508 -6.572 757 HG2 PRO 86 3HG PRO 86 10.758 -7.642 -7.206 758 HG3 PRO 86 2HG PRO 86 12.245 -7.483 -8.160 759 HD2 PRO 86 3HD PRO 86 9.864 -8.081 -9.293 760 HD3 PRO 86 2HD PRO 86 11.086 -7.100 -10.131 761 H ASP 87 H ASP 87 10.961 -4.222 -10.300 762 HA ASP 87 HA ASP 87 11.641 -1.585 -9.664 763 HB2 ASP 87 3HB ASP 87 12.595 -2.721 -11.581 764 HB3 ASP 87 2HB ASP 87 11.804 -1.242 -12.116 765 H GLU 88 H GLU 88 8.635 -2.895 -10.982 766 HA GLU 88 HA GLU 88 7.317 -0.514 -11.628 767 HB2 GLU 88 3HB GLU 88 5.210 -1.864 -11.133 768 HB3 GLU 88 2HB GLU 88 6.274 -3.174 -10.646 769 HG2 GLU 88 3HG GLU 88 5.681 -3.658 -12.856 770 HG3 GLU 88 2HG GLU 88 7.314 -3.000 -12.957 771 H ALA 89 H ALA 89 6.984 -2.415 -8.615 772 HA ALA 89 HA ALA 89 5.432 -0.646 -7.148 773 HB1 ALA 89 3HB ALA 89 6.240 -1.795 -5.157 774 HB2 ALA 89 1HB ALA 89 7.582 -2.479 -6.075 775 HB3 ALA 89 2HB ALA 89 5.925 -2.950 -6.450 776 H LYS 90 H LYS 90 8.968 -0.793 -7.392 777 HA LYS 90 HA LYS 90 9.627 1.204 -5.553 778 HB2 LYS 90 3HB LYS 90 11.749 1.404 -6.834 779 HB3 LYS 90 2HB LYS 90 11.042 0.434 -8.123 780 HG2 LYS 90 3HG LYS 90 10.773 -1.434 -6.516 781 HG3 LYS 90 2HG LYS 90 11.585 -0.459 -5.290 782 HD2 LYS 90 3HD LYS 90 12.809 -1.268 -7.933 783 HD3 LYS 90 2HD LYS 90 13.092 -2.092 -6.403 784 HE2 LYS 90 3HE LYS 90 13.986 0.033 -5.475 785 HE3 LYS 90 2HE LYS 90 13.808 0.760 -7.069 786 HZ1 LYS 90 3HZ LYS 90 15.327 -0.933 -7.940 787 HZ2 LYS 90 1HZ LYS 90 15.544 -1.544 -6.379 788 HZ3 LYS 90 2HZ LYS 90 16.056 0.025 -6.756 789 H ARG 91 H ARG 91 8.865 1.486 -9.023 790 HA ARG 91 HA ARG 91 9.288 4.303 -9.124 791 HB2 ARG 91 3HB ARG 91 7.623 2.582 -10.978 792 HB3 ARG 91 2HB ARG 91 9.353 2.868 -11.137 793 HG2 ARG 91 3HG ARG 91 8.960 5.239 -11.492 794 HG3 ARG 91 2HG ARG 91 7.229 5.008 -11.252 795 HD2 ARG 91 3HD ARG 91 7.151 3.552 -13.231 796 HD3 ARG 91 2HD ARG 91 8.878 3.823 -13.486 797 HE ARG 91 HE ARG 91 8.165 6.280 -13.625 798 HH11 ARG 91 1HH1 ARG 91 6.270 3.628 -14.746 799 HH12 ARG 91 2HH1 ARG 91 5.419 4.584 -15.904 800 HH21 ARG 91 2HH2 ARG 91 5.852 6.757 -16.094 801 HH22 ARG 91 1HH2 ARG 91 7.054 7.502 -15.101 802 H TRP 92 H TRP 92 6.379 2.307 -8.619 803 HA TRP 92 HA TRP 92 4.466 4.353 -8.703 804 HB2 TRP 92 3HB TRP 92 3.139 2.832 -7.111 805 HB3 TRP 92 2HB TRP 92 4.512 1.735 -7.202 806 HD1 TRP 92 HD1 TRP 92 4.382 -0.006 -9.089 807 HE1 TRP 92 HE1 TRP 92 3.032 -0.267 -11.262 808 HE3 TRP 92 HE3 TRP 92 1.957 4.494 -9.080 809 HZ2 TRP 92 HZ2 TRP 92 1.184 1.234 -12.774 810 HZ3 TRP 92 HZ3 TRP 92 0.409 5.001 -10.924 811 HH2 TRP 92 HH2 TRP 92 0.032 3.404 -12.733 812 H ILE 93 H ILE 93 6.378 3.180 -5.937 813 HA ILE 93 HA ILE 93 5.285 4.866 -3.970 814 HB ILE 93 HB ILE 93 8.118 3.814 -4.186 815 HG12 ILE 93 3HG1 ILE 93 6.369 2.056 -4.177 816 HG13 ILE 93 2HG1 ILE 93 5.718 2.722 -2.684 817 HG21 ILE 93 1HG2 ILE 93 8.021 5.678 -2.623 818 HG22 ILE 93 2HG2 ILE 93 8.238 4.162 -1.751 819 HG23 ILE 93 3HG2 ILE 93 6.654 4.937 -1.790 820 HD11 ILE 93 3HD1 ILE 93 8.457 1.524 -3.024 821 HD12 ILE 93 1HD1 ILE 93 7.067 0.759 -2.257 822 HD13 ILE 93 2HD1 ILE 93 7.796 2.188 -1.529 823 H LYS 94 H LYS 94 8.042 5.378 -6.166 824 HA LYS 94 HA LYS 94 8.776 7.951 -5.325 825 HB2 LYS 94 3HB LYS 94 8.966 6.628 -8.039 826 HB3 LYS 94 2HB LYS 94 10.209 6.692 -6.795 827 HG2 LYS 94 3HG LYS 94 10.469 9.075 -7.113 828 HG3 LYS 94 2HG LYS 94 9.135 9.095 -8.269 829 HD2 LYS 94 3HD LYS 94 10.455 7.533 -9.715 830 HD3 LYS 94 2HD LYS 94 11.809 7.725 -8.596 831 HE2 LYS 94 3HE LYS 94 12.066 9.204 -10.516 832 HE3 LYS 94 2HE LYS 94 11.834 10.137 -9.040 833 HZ1 LYS 94 3HZ LYS 94 10.529 11.039 -10.848 834 HZ2 LYS 94 1HZ LYS 94 9.505 10.433 -9.647 835 HZ3 LYS 94 2HZ LYS 94 9.740 9.559 -11.068 836 H GLU 95 H GLU 95 6.625 7.048 -8.047 837 HA GLU 95 HA GLU 95 5.951 9.693 -8.748 838 HB2 GLU 95 3HB GLU 95 4.154 8.696 -10.102 839 HB3 GLU 95 2HB GLU 95 4.384 7.156 -9.281 840 HG2 GLU 95 3HG GLU 95 5.422 7.228 -11.514 841 HG3 GLU 95 2HG GLU 95 6.582 6.913 -10.226 842 H PHE 96 H PHE 96 4.501 7.469 -6.435 843 HA PHE 96 HA PHE 96 2.141 8.913 -5.900 844 HB2 PHE 96 3HB PHE 96 3.750 7.299 -3.902 845 HB3 PHE 96 2HB PHE 96 2.676 6.585 -5.099 846 HD1 PHE 96 HD1 PHE 96 2.892 7.598 -1.772 847 HD2 PHE 96 HD2 PHE 96 0.219 7.659 -5.093 848 HE1 PHE 96 HE1 PHE 96 0.986 7.830 -0.237 849 HE2 PHE 96 HE2 PHE 96 -1.686 7.891 -3.556 850 HZ PHE 96 HZ PHE 96 -1.304 7.977 -1.127 851 H SER 97 H SER 97 5.426 9.216 -4.604 852 HA SER 97 HA SER 97 4.900 11.381 -2.835 853 HB2 SER 97 3HB SER 97 7.443 10.517 -4.242 854 HB3 SER 97 2HB SER 97 6.959 10.149 -2.586 855 HG SER 97 HG SER 97 8.044 11.878 -2.100 856 H GLU 98 H GLU 98 5.938 11.252 -6.234 857 HA GLU 98 HA GLU 98 6.267 13.948 -6.796 858 HB2 GLU 98 3HB GLU 98 5.645 13.375 -9.133 859 HB3 GLU 98 2HB GLU 98 5.052 11.818 -8.573 860 HG2 GLU 98 3HG GLU 98 7.201 11.475 -9.519 861 HG3 GLU 98 2HG GLU 98 7.352 11.298 -7.772 862 H GLU 99 H GLU 99 3.284 12.067 -6.624 863 HA GLU 99 HA GLU 99 1.431 13.888 -7.595 864 HB2 GLU 99 3HB GLU 99 -0.208 12.714 -6.096 865 HB3 GLU 99 2HB GLU 99 1.147 11.872 -5.358 866 HG2 GLU 99 3HG GLU 99 0.195 10.385 -6.920 867 HG3 GLU 99 2HG GLU 99 1.701 10.961 -7.633 868 H GLY 100 H GLY 100 2.766 13.646 -4.308 869 HA2 GLY 100 3HA GLY 100 2.525 16.323 -3.627 870 HA3 GLY 100 2HA GLY 100 2.568 15.010 -2.462 871 H GLY 101 H GLY 101 0.132 13.747 -3.211 872 HA2 GLY 101 3HA GLY 101 -1.765 15.414 -1.832 873 HA3 GLY 101 2HA GLY 101 -2.063 13.807 -2.477 874 H SER 102 H SER 102 -0.871 15.198 -5.083 875 HA SER 102 HA SER 102 -1.762 15.821 -7.080 876 HB2 SER 102 3HB SER 102 -4.480 15.676 -5.740 877 HB3 SER 102 2HB SER 102 -3.698 14.369 -6.627 878 HG SER 102 HG SER 102 -5.242 16.262 -7.605 879 H LEU 103 H LEU 103 -2.758 17.566 -4.208 880 HA LEU 103 HA LEU 103 -3.722 19.920 -5.333 881 HB2 LEU 103 3HB LEU 103 -3.061 21.000 -3.204 882 HB3 LEU 103 2HB LEU 103 -2.132 19.571 -2.787 883 HG LEU 103 HG LEU 103 -4.187 18.234 -2.715 884 HD11 LEU 103 1HD1 LEU 103 -3.428 19.338 -0.669 885 HD12 LEU 103 2HD1 LEU 103 -5.187 19.216 -0.722 886 HD13 LEU 103 3HD1 LEU 103 -4.401 20.757 -1.069 887 HD21 LEU 103 3HD2 LEU 103 -5.494 19.390 -4.398 888 HD22 LEU 103 1HD2 LEU 103 -5.596 20.824 -3.375 889 HD23 LEU 103 2HD2 LEU 103 -6.387 19.328 -2.879 890 H GLU 104 H GLU 104 -0.420 18.793 -5.149 891 HA GLU 104 HA GLU 104 0.928 21.203 -5.681 892 HB2 GLU 104 3HB GLU 104 2.710 19.777 -6.651 893 HB3 GLU 104 2HB GLU 104 1.611 18.403 -6.630 894 HG2 GLU 104 3HG GLU 104 3.170 18.313 -4.770 895 HG3 GLU 104 2HG GLU 104 1.512 18.488 -4.198 896 H HIS 105 H HIS 105 0.422 18.678 -8.163 897 HA HIS 105 HA HIS 105 0.086 20.661 -10.241 898 HB2 HIS 105 3HB HIS 105 1.221 18.567 -10.788 899 HB3 HIS 105 2HB HIS 105 -0.239 18.730 -11.753 900 HD1 HIS 105 HD1 HIS 105 -2.163 17.050 -11.302 901 HD2 HIS 105 HD2 HIS 105 1.231 16.401 -8.994 902 HE1 HIS 105 HE1 HIS 105 -2.454 14.768 -10.311 903 HE2 HIS 105 HE2 HIS 105 -0.284 14.306 -9.135 904 H HIS 106 H HIS 106 -1.736 21.523 -8.763 905 HA HIS 106 HA HIS 106 -4.124 20.051 -8.416 906 HB2 HIS 106 3HB HIS 106 -3.663 21.715 -6.808 907 HB3 HIS 106 2HB HIS 106 -5.073 22.289 -7.688 908 HD1 HIS 106 HD1 HIS 106 -1.426 22.991 -7.187 909 HD2 HIS 106 HD2 HIS 106 -4.706 24.671 -9.111 910 HE1 HIS 106 HE1 HIS 106 -0.688 25.277 -7.907 911 HE2 HIS 106 HE2 HIS 106 -2.629 26.201 -9.211 912 H HIS 107 H HIS 107 -4.513 19.370 -10.622 913 HA HIS 107 HA HIS 107 -6.144 21.346 -12.091 914 HB2 HIS 107 3HB HIS 107 -6.018 19.768 -13.996 915 HB3 HIS 107 2HB HIS 107 -5.042 18.678 -13.017 916 HD1 HIS 107 HD1 HIS 107 -4.858 21.996 -14.786 917 HD2 HIS 107 HD2 HIS 107 -2.360 19.335 -12.804 918 HE1 HIS 107 HE1 HIS 107 -2.526 22.800 -15.233 919 HE2 HIS 107 HE2 HIS 107 -1.051 21.285 -13.879 920 H HIS 108 H HIS 108 -6.141 18.233 -10.486 921 HA HIS 108 HA HIS 108 -9.083 18.346 -10.385 922 HB2 HIS 108 3HB HIS 108 -8.875 15.800 -9.946 923 HB3 HIS 108 2HB HIS 108 -7.265 15.963 -10.638 924 HD1 HIS 108 HD1 HIS 108 -7.268 17.060 -13.153 925 HD2 HIS 108 HD2 HIS 108 -10.832 15.429 -11.782 926 HE1 HIS 108 HE1 HIS 108 -8.679 16.725 -15.197 927 HE2 HIS 108 HE2 HIS 108 -10.745 15.562 -14.361 928 H HIS 109 H HIS 109 -9.977 18.448 -8.427 929 HA HIS 109 HA HIS 109 -8.316 18.670 -6.080 930 HB2 HIS 109 3HB HIS 109 -10.445 19.134 -4.912 931 HB3 HIS 109 2HB HIS 109 -11.337 18.677 -6.360 932 HD1 HIS 109 HD1 HIS 109 -11.838 20.498 -7.983 933 HD2 HIS 109 HD2 HIS 109 -8.816 21.558 -5.331 934 HE1 HIS 109 HE1 HIS 109 -11.387 22.926 -8.412 935 HE2 HIS 109 HE2 HIS 109 -9.484 23.519 -6.881 936 H HIS 110 H HIS 110 -9.641 17.558 -4.005 937 HA HIS 110 HA HIS 110 -9.398 14.679 -4.485 938 HB2 HIS 110 3HB HIS 110 -8.172 15.446 -2.571 939 HB3 HIS 110 2HB HIS 110 -9.523 14.487 -1.987 940 HD1 HIS 110 HD1 HIS 110 -11.615 15.930 -1.031 941 HD2 HIS 110 HD2 HIS 110 -8.001 17.939 -1.459 942 HE1 HIS 110 HE1 HIS 110 -11.812 17.979 0.400 943 HE2 HIS 110 HE2 HIS 110 -9.576 19.113 0.221 Start of MODEL 12 1 H1 MET 1 1H MET 1 1.119 16.327 5.261 2 H2 MET 1 2H MET 1 0.448 17.318 4.068 3 H3 MET 1 3H MET 1 1.539 16.103 3.638 4 HA MET 1 HA MET 1 -1.136 15.663 4.840 5 HB2 MET 1 3HB MET 1 -0.219 15.125 1.999 6 HB3 MET 1 2HB MET 1 -1.127 16.551 2.481 7 HG2 MET 1 3HG MET 1 -2.936 15.019 3.290 8 HG3 MET 1 2HG MET 1 -2.044 13.687 2.562 9 HE1 MET 1 3HE MET 1 -5.138 14.753 1.969 10 HE2 MET 1 1HE MET 1 -4.471 13.244 1.344 11 HE3 MET 1 2HE MET 1 -5.211 14.404 0.242 12 H LEU 2 H LEU 2 -1.550 13.572 5.489 13 HA LEU 2 HA LEU 2 0.723 11.882 5.917 14 HB2 LEU 2 3HB LEU 2 -0.875 10.329 6.979 15 HB3 LEU 2 2HB LEU 2 -2.208 11.312 6.410 16 HG LEU 2 HG LEU 2 -0.131 12.540 8.193 17 HD11 LEU 2 1HD1 LEU 2 -2.048 13.889 8.934 18 HD12 LEU 2 2HD1 LEU 2 -3.071 13.039 7.777 19 HD13 LEU 2 3HD1 LEU 2 -1.734 14.038 7.206 20 HD21 LEU 2 3HD2 LEU 2 -0.755 10.486 9.335 21 HD22 LEU 2 1HD2 LEU 2 -2.464 10.877 9.141 22 HD23 LEU 2 2HD2 LEU 2 -1.437 11.886 10.160 23 H LEU 3 H LEU 3 1.555 10.562 4.415 24 HA LEU 3 HA LEU 3 -0.279 9.142 2.586 25 HB2 LEU 3 3HB LEU 3 1.443 9.355 0.819 26 HB3 LEU 3 2HB LEU 3 2.421 10.327 1.905 27 HG LEU 3 HG LEU 3 0.584 12.030 1.950 28 HD11 LEU 3 1HD1 LEU 3 2.488 12.313 0.452 29 HD12 LEU 3 2HD1 LEU 3 1.008 12.929 -0.279 30 HD13 LEU 3 3HD1 LEU 3 1.663 11.373 -0.793 31 HD21 LEU 3 3HD2 LEU 3 -0.615 10.292 -0.203 32 HD22 LEU 3 1HD2 LEU 3 -1.165 11.910 0.233 33 HD23 LEU 3 2HD2 LEU 3 -1.292 10.593 1.398 34 H TYR 4 H TYR 4 -0.142 6.992 2.838 35 HA TYR 4 HA TYR 4 2.390 5.826 3.844 36 HB2 TYR 4 3HB TYR 4 0.916 4.110 4.992 37 HB3 TYR 4 2HB TYR 4 -0.458 5.140 4.604 38 HD1 TYR 4 HD1 TYR 4 -0.499 7.515 5.546 39 HD2 TYR 4 HD2 TYR 4 2.248 4.547 6.885 40 HE1 TYR 4 HE1 TYR 4 -0.091 8.818 7.591 41 HE2 TYR 4 HE2 TYR 4 2.656 5.841 8.931 42 HH TYR 4 HH TYR 4 2.474 8.046 9.777 43 H VAL 5 H VAL 5 2.703 3.514 3.341 44 HA VAL 5 HA VAL 5 1.397 2.693 0.818 45 HB VAL 5 HB VAL 5 4.329 2.352 1.508 46 HG11 VAL 5 1HG1 VAL 5 4.560 1.470 -0.776 47 HG12 VAL 5 2HG1 VAL 5 2.812 1.569 -0.988 48 HG13 VAL 5 3HG1 VAL 5 3.493 0.468 0.211 49 HG21 VAL 5 3HG2 VAL 5 3.781 4.668 0.919 50 HG22 VAL 5 1HG2 VAL 5 3.030 4.116 -0.580 51 HG23 VAL 5 2HG2 VAL 5 4.764 3.907 -0.331 52 H LEU 6 H LEU 6 0.473 0.747 0.908 53 HA LEU 6 HA LEU 6 1.377 -1.210 2.933 54 HB2 LEU 6 3HB LEU 6 -0.867 -2.232 2.691 55 HB3 LEU 6 2HB LEU 6 -1.302 -0.983 1.540 56 HG LEU 6 HG LEU 6 -1.104 0.723 3.303 57 HD11 LEU 6 1HD1 LEU 6 -2.862 -1.604 4.092 58 HD12 LEU 6 2HD1 LEU 6 -3.270 -0.343 2.928 59 HD13 LEU 6 3HD1 LEU 6 -3.051 0.065 4.629 60 HD21 LEU 6 3HD2 LEU 6 -0.788 0.051 5.640 61 HD22 LEU 6 1HD2 LEU 6 0.625 -0.332 4.659 62 HD23 LEU 6 2HD2 LEU 6 -0.498 -1.610 5.125 63 H ILE 7 H ILE 7 2.348 -3.033 2.204 64 HA ILE 7 HA ILE 7 2.146 -3.627 -0.691 65 HB ILE 7 HB ILE 7 4.345 -2.767 -0.118 66 HG12 ILE 7 3HG1 ILE 7 4.205 -4.501 -1.857 67 HG13 ILE 7 2HG1 ILE 7 4.410 -5.755 -0.637 68 HG21 ILE 7 1HG2 ILE 7 4.393 -3.350 2.251 69 HG22 ILE 7 2HG2 ILE 7 5.839 -3.932 1.429 70 HG23 ILE 7 3HG2 ILE 7 4.546 -5.058 1.840 71 HD11 ILE 7 3HD1 ILE 7 6.442 -3.661 -1.371 72 HD12 ILE 7 1HD1 ILE 7 6.470 -5.360 -1.838 73 HD13 ILE 7 2HD1 ILE 7 6.645 -4.912 -0.143 74 H ILE 8 H ILE 8 1.472 -5.606 -1.273 75 HA ILE 8 HA ILE 8 1.420 -7.760 0.761 76 HB ILE 8 HB ILE 8 -0.386 -7.488 -1.659 77 HG12 ILE 8 3HG1 ILE 8 -0.756 -5.673 0.018 78 HG13 ILE 8 2HG1 ILE 8 -1.038 -6.904 1.243 79 HG21 ILE 8 1HG2 ILE 8 -1.718 -9.240 -0.558 80 HG22 ILE 8 2HG2 ILE 8 -0.525 -9.327 0.738 81 HG23 ILE 8 3HG2 ILE 8 -0.078 -9.791 -0.902 82 HD11 ILE 8 3HD1 ILE 8 -3.109 -5.954 0.388 83 HD12 ILE 8 1HD1 ILE 8 -2.991 -7.683 0.066 84 HD13 ILE 8 2HD1 ILE 8 -2.696 -6.522 -1.228 85 H SER 9 H SER 9 3.226 -8.982 0.331 86 HA SER 9 HA SER 9 3.322 -10.494 -2.114 87 HB2 SER 9 3HB SER 9 5.560 -8.517 -1.574 88 HB3 SER 9 2HB SER 9 4.430 -8.468 -2.924 89 HG SER 9 HG SER 9 5.766 -9.714 -3.935 90 H ASN 10 H ASN 10 5.037 -12.142 -2.106 91 HA ASN 10 HA ASN 10 5.954 -12.797 0.623 92 HB2 ASN 10 3HB ASN 10 6.255 -15.113 -0.246 93 HB3 ASN 10 2HB ASN 10 5.624 -14.583 -1.802 94 HD21 ASN 10 2HD2 ASN 10 2.558 -15.744 -0.660 95 HD22 ASN 10 1HD2 ASN 10 3.898 -15.979 -1.722 96 H ASP 11 H ASP 11 7.096 -11.367 -2.116 97 HA ASP 11 HA ASP 11 9.726 -12.600 -2.183 98 HB2 ASP 11 3HB ASP 11 10.210 -10.892 -3.918 99 HB3 ASP 11 2HB ASP 11 8.632 -10.171 -3.625 100 H LYS 12 H LYS 12 11.127 -12.138 -0.577 101 HA LYS 12 HA LYS 12 10.856 -9.913 1.157 102 HB2 LYS 12 3HB LYS 12 13.166 -10.601 1.976 103 HB3 LYS 12 2HB LYS 12 13.128 -11.865 0.757 104 HG2 LYS 12 3HG LYS 12 11.081 -11.572 2.953 105 HG3 LYS 12 2HG LYS 12 12.499 -12.616 3.045 106 HD2 LYS 12 3HD LYS 12 11.709 -13.884 1.105 107 HD3 LYS 12 2HD LYS 12 10.291 -12.840 0.993 108 HE2 LYS 12 3HE LYS 12 9.556 -13.578 3.204 109 HE3 LYS 12 2HE LYS 12 10.981 -14.606 3.343 110 HZ1 LYS 12 3HZ LYS 12 8.800 -14.891 1.353 111 HZ2 LYS 12 1HZ LYS 12 9.099 -15.907 2.671 112 HZ3 LYS 12 2HZ LYS 12 10.202 -15.840 1.394 113 H LYS 13 H LYS 13 13.223 -10.561 -1.441 114 HA LYS 13 HA LYS 13 14.661 -8.176 -1.314 115 HB2 LYS 13 3HB LYS 13 15.071 -8.558 -3.795 116 HB3 LYS 13 2HB LYS 13 13.968 -9.922 -3.685 117 HG2 LYS 13 3HG LYS 13 16.224 -10.726 -3.553 118 HG3 LYS 13 2HG LYS 13 15.453 -10.936 -1.979 119 HD2 LYS 13 3HD LYS 13 16.556 -8.920 -1.147 120 HD3 LYS 13 2HD LYS 13 17.299 -8.660 -2.727 121 HE2 LYS 13 3HE LYS 13 18.886 -9.673 -1.178 122 HE3 LYS 13 2HE LYS 13 18.521 -10.769 -2.509 123 HZ1 LYS 13 3HZ LYS 13 17.242 -10.916 0.161 124 HZ2 LYS 13 1HZ LYS 13 18.564 -11.856 -0.314 125 HZ3 LYS 13 2HZ LYS 13 17.079 -12.027 -1.102 126 H LEU 14 H LEU 14 11.601 -8.866 -2.943 127 HA LEU 14 HA LEU 14 11.303 -6.382 -4.258 128 HB2 LEU 14 3HB LEU 14 9.142 -8.257 -3.265 129 HB3 LEU 14 2HB LEU 14 10.046 -8.486 -4.745 130 HG LEU 14 HG LEU 14 9.089 -6.133 -5.389 131 HD11 LEU 14 1HD1 LEU 14 7.379 -8.619 -5.347 132 HD12 LEU 14 2HD1 LEU 14 8.579 -8.190 -6.569 133 HD13 LEU 14 3HD1 LEU 14 7.124 -7.212 -6.382 134 HD21 LEU 14 3HD2 LEU 14 6.847 -5.722 -4.472 135 HD22 LEU 14 1HD2 LEU 14 8.094 -5.594 -3.232 136 HD23 LEU 14 2HD2 LEU 14 7.083 -7.036 -3.317 137 H ILE 15 H ILE 15 10.163 -7.537 -1.090 138 HA ILE 15 HA ILE 15 8.810 -5.198 -0.295 139 HB ILE 15 HB ILE 15 10.161 -7.301 1.417 140 HG12 ILE 15 3HG1 ILE 15 8.365 -8.151 -0.080 141 HG13 ILE 15 2HG1 ILE 15 7.252 -6.974 0.605 142 HG21 ILE 15 1HG2 ILE 15 8.166 -5.164 2.187 143 HG22 ILE 15 2HG2 ILE 15 9.849 -5.267 2.705 144 HG23 ILE 15 3HG2 ILE 15 8.690 -6.486 3.232 145 HD11 ILE 15 3HD1 ILE 15 6.904 -9.183 1.548 146 HD12 ILE 15 1HD1 ILE 15 7.437 -8.042 2.782 147 HD13 ILE 15 2HD1 ILE 15 8.572 -9.216 2.115 148 H GLU 16 H GLU 16 12.187 -6.215 0.274 149 HA GLU 16 HA GLU 16 12.871 -3.960 1.854 150 HB2 GLU 16 3HB GLU 16 15.241 -4.665 1.402 151 HB3 GLU 16 2HB GLU 16 14.608 -5.902 0.319 152 HG2 GLU 16 3HG GLU 16 13.407 -6.940 2.161 153 HG3 GLU 16 2HG GLU 16 13.946 -5.670 3.255 154 H GLU 17 H GLU 17 13.412 -4.633 -1.630 155 HA GLU 17 HA GLU 17 14.606 -2.203 -2.319 156 HB2 GLU 17 3HB GLU 17 13.267 -2.638 -4.571 157 HB3 GLU 17 2HB GLU 17 12.928 -4.184 -3.812 158 HG2 GLU 17 3HG GLU 17 14.825 -4.510 -5.176 159 HG3 GLU 17 2HG GLU 17 15.415 -4.469 -3.516 160 H ALA 18 H ALA 18 11.170 -3.003 -1.976 161 HA ALA 18 HA ALA 18 10.118 -0.495 -2.746 162 HB1 ALA 18 3HB ALA 18 8.763 -2.542 -2.579 163 HB2 ALA 18 1HB ALA 18 8.066 -1.215 -1.650 164 HB3 ALA 18 2HB ALA 18 8.938 -2.507 -0.825 165 H ARG 19 H ARG 19 11.023 -1.776 0.458 166 HA ARG 19 HA ARG 19 10.336 0.414 2.049 167 HB2 ARG 19 3HB ARG 19 12.222 -0.377 3.554 168 HB3 ARG 19 2HB ARG 19 12.618 -1.557 2.312 169 HG2 ARG 19 3HG ARG 19 10.351 -2.524 2.555 170 HG3 ARG 19 2HG ARG 19 10.040 -1.386 3.868 171 HD2 ARG 19 3HD ARG 19 12.021 -2.327 5.066 172 HD3 ARG 19 2HD ARG 19 12.148 -3.548 3.800 173 HE ARG 19 HE ARG 19 9.568 -3.419 5.082 174 HH11 ARG 19 1HH1 ARG 19 12.704 -4.839 5.138 175 HH12 ARG 19 2HH1 ARG 19 12.202 -6.178 6.105 176 HH21 ARG 19 2HH2 ARG 19 10.091 -6.350 6.768 177 HH22 ARG 19 1HH2 ARG 19 8.937 -5.130 6.336 178 H LYS 20 H LYS 20 13.394 -0.240 0.364 179 HA LYS 20 HA LYS 20 14.825 2.024 1.147 180 HB2 LYS 20 3HB LYS 20 16.173 1.624 -0.918 181 HB3 LYS 20 2HB LYS 20 14.965 0.457 -1.439 182 HG2 LYS 20 3HG LYS 20 15.431 -0.806 0.700 183 HG3 LYS 20 2HG LYS 20 16.811 0.270 0.933 184 HD2 LYS 20 3HD LYS 20 16.350 -1.578 -1.416 185 HD3 LYS 20 2HD LYS 20 17.524 -1.806 -0.119 186 HE2 LYS 20 3HE LYS 20 18.731 0.183 -0.812 187 HE3 LYS 20 2HE LYS 20 17.527 0.507 -2.061 188 HZ1 LYS 20 3HZ LYS 20 18.127 -1.611 -3.099 189 HZ2 LYS 20 1HZ LYS 20 19.338 -1.841 -1.940 190 HZ3 LYS 20 2HZ LYS 20 19.440 -0.545 -3.021 191 H MET 21 H MET 21 12.551 1.605 -1.545 192 HA MET 21 HA MET 21 12.972 4.231 -2.618 193 HB2 MET 21 3HB MET 21 10.781 3.680 -3.857 194 HB3 MET 21 2HB MET 21 10.904 2.097 -3.100 195 HG2 MET 21 3HG MET 21 11.825 2.088 -5.351 196 HG3 MET 21 2HG MET 21 13.070 1.745 -4.151 197 HE1 MET 21 3HE MET 21 11.548 5.303 -4.791 198 HE2 MET 21 1HE MET 21 11.467 4.566 -6.393 199 HE3 MET 21 2HE MET 21 12.575 5.904 -6.094 200 H ALA 22 H ALA 22 10.592 2.817 -0.408 201 HA ALA 22 HA ALA 22 8.859 4.989 -0.172 202 HB1 ALA 22 3HB ALA 22 8.413 2.791 0.825 203 HB2 ALA 22 1HB ALA 22 8.256 4.081 2.017 204 HB3 ALA 22 2HB ALA 22 9.696 3.063 2.004 205 H GLU 23 H GLU 23 11.879 4.291 1.546 206 HA GLU 23 HA GLU 23 11.993 6.551 3.197 207 HB2 GLU 23 3HB GLU 23 14.454 6.141 3.220 208 HB3 GLU 23 2HB GLU 23 14.245 4.985 1.910 209 HG2 GLU 23 3HG GLU 23 14.375 3.666 3.828 210 HG3 GLU 23 2HG GLU 23 12.651 3.748 3.475 211 H LYS 24 H LYS 24 13.210 6.082 -0.117 212 HA LYS 24 HA LYS 24 14.313 8.626 -0.532 213 HB2 LYS 24 3HB LYS 24 13.987 8.189 -2.939 214 HB3 LYS 24 2HB LYS 24 12.904 6.860 -2.555 215 HG2 LYS 24 3HG LYS 24 15.011 5.936 -3.150 216 HG3 LYS 24 2HG LYS 24 14.802 5.719 -1.414 217 HD2 LYS 24 3HD LYS 24 17.075 6.420 -1.888 218 HD3 LYS 24 2HD LYS 24 16.227 7.695 -1.011 219 HE2 LYS 24 3HE LYS 24 15.889 8.945 -3.046 220 HE3 LYS 24 2HE LYS 24 16.569 7.634 -4.010 221 HZ1 LYS 24 3HZ LYS 24 18.695 7.989 -3.005 222 HZ2 LYS 24 1HZ LYS 24 18.072 9.159 -1.957 223 HZ3 LYS 24 2HZ LYS 24 18.141 9.462 -3.618 224 H ALA 25 H ALA 25 10.994 7.479 -0.854 225 HA ALA 25 HA ALA 25 10.037 10.060 -1.812 226 HB1 ALA 25 3HB ALA 25 8.548 7.495 -1.255 227 HB2 ALA 25 1HB ALA 25 9.179 8.011 -2.819 228 HB3 ALA 25 2HB ALA 25 7.885 8.926 -2.045 229 H ASN 26 H ASN 26 10.791 8.949 1.170 230 HA ASN 26 HA ASN 26 10.391 9.665 3.282 231 HB2 ASN 26 3HB ASN 26 8.598 11.791 2.077 232 HB3 ASN 26 2HB ASN 26 10.352 11.914 2.133 233 HD21 ASN 26 2HD2 ASN 26 10.507 12.637 5.563 234 HD22 ASN 26 1HD2 ASN 26 11.373 12.044 4.190 235 H LEU 27 H LEU 27 8.402 7.896 1.692 236 HA LEU 27 HA LEU 27 5.976 8.235 3.299 237 HB2 LEU 27 3HB LEU 27 4.991 6.555 1.837 238 HB3 LEU 27 2HB LEU 27 6.554 6.229 1.110 239 HG LEU 27 HG LEU 27 6.585 8.445 0.093 240 HD11 LEU 27 1HD1 LEU 27 4.749 8.166 -1.493 241 HD12 LEU 27 2HD1 LEU 27 3.976 7.007 -0.409 242 HD13 LEU 27 3HD1 LEU 27 5.533 6.626 -1.146 243 HD21 LEU 27 3HD2 LEU 27 3.893 8.853 1.398 244 HD22 LEU 27 1HD2 LEU 27 4.657 9.941 0.239 245 HD23 LEU 27 2HD2 LEU 27 5.391 9.684 1.821 246 H GLU 28 H GLU 28 5.112 6.542 4.615 247 HA GLU 28 HA GLU 28 7.134 4.680 5.641 248 HB2 GLU 28 3HB GLU 28 4.401 5.347 6.763 249 HB3 GLU 28 2HB GLU 28 5.915 6.084 7.274 250 HG2 GLU 28 3HG GLU 28 6.720 3.872 8.004 251 HG3 GLU 28 2HG GLU 28 5.170 3.172 7.543 252 H LEU 29 H LEU 29 7.086 2.560 5.225 253 HA LEU 29 HA LEU 29 4.794 1.493 3.711 254 HB2 LEU 29 3HB LEU 29 7.700 0.653 3.744 255 HB3 LEU 29 2HB LEU 29 6.897 1.567 2.485 256 HG LEU 29 HG LEU 29 5.367 -0.595 2.322 257 HD11 LEU 29 1HD1 LEU 29 6.784 0.314 0.531 258 HD12 LEU 29 2HD1 LEU 29 6.821 -1.447 0.574 259 HD13 LEU 29 3HD1 LEU 29 8.179 -0.521 1.217 260 HD21 LEU 29 3HD2 LEU 29 6.326 -1.787 4.207 261 HD22 LEU 29 1HD2 LEU 29 7.934 -1.683 3.494 262 HD23 LEU 29 2HD2 LEU 29 6.682 -2.649 2.713 263 H ARG 30 H ARG 30 3.642 -0.172 4.486 264 HA ARG 30 HA ARG 30 4.706 -1.702 6.788 265 HB2 ARG 30 3HB ARG 30 2.367 -1.964 7.558 266 HB3 ARG 30 2HB ARG 30 1.821 -0.955 6.228 267 HG2 ARG 30 3HG ARG 30 1.863 0.349 8.248 268 HG3 ARG 30 2HG ARG 30 3.126 0.932 7.162 269 HD2 ARG 30 3HD ARG 30 4.807 -0.314 8.421 270 HD3 ARG 30 2HD ARG 30 3.555 -0.942 9.494 271 HE ARG 30 HE ARG 30 3.647 1.931 9.397 272 HH11 ARG 30 1HH1 ARG 30 5.013 -0.862 10.896 273 HH12 ARG 30 2HH1 ARG 30 5.445 0.000 12.330 274 HH21 ARG 30 2HH2 ARG 30 5.017 2.166 12.509 275 HH22 ARG 30 1HH2 ARG 30 4.233 3.011 11.218 276 H THR 31 H THR 31 4.745 -3.888 6.579 277 HA THR 31 HA THR 31 4.033 -5.046 4.028 278 HB THR 31 HB THR 31 4.987 -7.149 4.931 279 HG1 THR 31 HG1 THR 31 4.404 -6.640 7.188 280 HG21 THR 31 3HG2 THR 31 7.296 -6.373 5.105 281 HG22 THR 31 1HG2 THR 31 6.734 -4.725 5.395 282 HG23 THR 31 2HG2 THR 31 6.442 -5.495 3.834 283 H VAL 32 H VAL 32 2.091 -5.810 3.564 284 HA VAL 32 HA VAL 32 0.225 -6.566 5.675 285 HB VAL 32 HB VAL 32 -0.167 -6.362 2.682 286 HG11 VAL 32 1HG1 VAL 32 -2.217 -6.752 4.871 287 HG12 VAL 32 2HG1 VAL 32 -1.721 -7.966 3.693 288 HG13 VAL 32 3HG1 VAL 32 -2.565 -6.513 3.159 289 HG21 VAL 32 3HG2 VAL 32 -1.002 -4.485 4.901 290 HG22 VAL 32 1HG2 VAL 32 -1.391 -4.297 3.189 291 HG23 VAL 32 2HG2 VAL 32 0.285 -4.198 3.729 292 H LYS 33 H LYS 33 0.238 -8.601 6.378 293 HA LYS 33 HA LYS 33 1.337 -10.748 4.768 294 HB2 LYS 33 3HB LYS 33 1.150 -12.086 6.796 295 HB3 LYS 33 2HB LYS 33 0.187 -10.830 7.568 296 HG2 LYS 33 3HG LYS 33 2.102 -9.304 7.473 297 HG3 LYS 33 2HG LYS 33 3.071 -10.563 6.705 298 HD2 LYS 33 3HD LYS 33 2.840 -11.973 8.688 299 HD3 LYS 33 2HD LYS 33 1.820 -10.754 9.454 300 HE2 LYS 33 3HE LYS 33 3.697 -9.163 9.385 301 HE3 LYS 33 2HE LYS 33 4.713 -10.411 8.665 302 HZ1 LYS 33 3HZ LYS 33 4.478 -11.733 10.649 303 HZ2 LYS 33 1HZ LYS 33 3.440 -10.590 11.340 304 HZ3 LYS 33 2HZ LYS 33 5.059 -10.197 11.052 305 H THR 34 H THR 34 -1.822 -9.864 6.120 306 HA THR 34 HA THR 34 -3.128 -11.753 4.277 307 HB THR 34 HB THR 34 -4.735 -12.456 6.015 308 HG1 THR 34 HG1 THR 34 -3.388 -11.824 8.237 309 HG21 THR 34 3HG2 THR 34 -1.869 -12.991 6.827 310 HG22 THR 34 1HG2 THR 34 -2.772 -13.876 5.597 311 HG23 THR 34 2HG2 THR 34 -3.274 -13.952 7.286 312 H GLU 35 H GLU 35 -5.548 -11.344 4.184 313 HA GLU 35 HA GLU 35 -6.290 -8.727 3.664 314 HB2 GLU 35 3HB GLU 35 -8.041 -11.009 4.619 315 HB3 GLU 35 2HB GLU 35 -7.599 -10.681 2.951 316 HG2 GLU 35 3HG GLU 35 -8.874 -8.646 2.942 317 HG3 GLU 35 2HG GLU 35 -9.192 -8.788 4.671 318 H ASP 36 H ASP 36 -6.612 -10.567 6.679 319 HA ASP 36 HA ASP 36 -7.912 -8.651 8.239 320 HB2 ASP 36 3HB ASP 36 -5.825 -10.651 9.155 321 HB3 ASP 36 2HB ASP 36 -7.531 -11.015 8.909 322 H GLU 37 H GLU 37 -4.413 -9.132 7.692 323 HA GLU 37 HA GLU 37 -3.458 -7.023 9.272 324 HB2 GLU 37 3HB GLU 37 -1.513 -6.992 7.618 325 HB3 GLU 37 2HB GLU 37 -2.376 -8.232 6.721 326 HG2 GLU 37 3HG GLU 37 -0.700 -9.248 8.107 327 HG3 GLU 37 2HG GLU 37 -2.302 -9.696 8.691 328 H LEU 38 H LEU 38 -4.289 -7.014 5.803 329 HA LEU 38 HA LEU 38 -3.792 -4.371 5.164 330 HB2 LEU 38 3HB LEU 38 -6.194 -5.920 4.155 331 HB3 LEU 38 2HB LEU 38 -4.559 -6.326 3.683 332 HG LEU 38 HG LEU 38 -5.494 -5.062 1.906 333 HD11 LEU 38 1HD1 LEU 38 -7.364 -4.049 3.095 334 HD12 LEU 38 2HD1 LEU 38 -6.476 -2.855 2.148 335 HD13 LEU 38 3HD1 LEU 38 -6.260 -2.934 3.898 336 HD21 LEU 38 3HD2 LEU 38 -4.040 -3.109 1.777 337 HD22 LEU 38 1HD2 LEU 38 -3.179 -4.500 2.434 338 HD23 LEU 38 2HD2 LEU 38 -3.727 -3.215 3.510 339 H LYS 39 H LYS 39 -6.876 -5.734 6.309 340 HA LYS 39 HA LYS 39 -8.323 -3.380 6.694 341 HB2 LYS 39 3HB LYS 39 -8.373 -6.015 8.176 342 HB3 LYS 39 2HB LYS 39 -9.364 -5.557 6.801 343 HG2 LYS 39 3HG LYS 39 -10.673 -4.084 8.086 344 HG3 LYS 39 2HG LYS 39 -9.517 -4.093 9.423 345 HD2 LYS 39 3HD LYS 39 -11.147 -6.474 8.515 346 HD3 LYS 39 2HD LYS 39 -11.523 -5.453 9.905 347 HE2 LYS 39 3HE LYS 39 -9.514 -6.117 11.034 348 HE3 LYS 39 2HE LYS 39 -8.920 -6.957 9.604 349 HZ1 LYS 39 3HZ LYS 39 -9.776 -8.525 11.180 350 HZ2 LYS 39 1HZ LYS 39 -10.774 -8.509 9.815 351 HZ3 LYS 39 2HZ LYS 39 -11.273 -7.736 11.230 352 H LYS 40 H LYS 40 -6.282 -5.144 9.010 353 HA LYS 40 HA LYS 40 -6.728 -3.602 11.279 354 HB2 LYS 40 3HB LYS 40 -4.244 -5.142 10.484 355 HB3 LYS 40 2HB LYS 40 -5.661 -5.818 11.265 356 HG2 LYS 40 3HG LYS 40 -4.354 -5.600 13.095 357 HG3 LYS 40 2HG LYS 40 -5.070 -3.989 13.104 358 HD2 LYS 40 3HD LYS 40 -2.637 -3.918 13.465 359 HD3 LYS 40 2HD LYS 40 -3.110 -3.073 11.990 360 HE2 LYS 40 3HE LYS 40 -1.095 -4.442 11.655 361 HE3 LYS 40 2HE LYS 40 -2.434 -4.980 10.641 362 HZ1 LYS 40 3HZ LYS 40 -1.314 -6.857 11.619 363 HZ2 LYS 40 1HZ LYS 40 -2.874 -6.743 12.255 364 HZ3 LYS 40 2HZ LYS 40 -1.548 -6.249 13.176 365 H TYR 41 H TYR 41 -4.492 -3.045 8.607 366 HA TYR 41 HA TYR 41 -3.225 -0.782 9.843 367 HB2 TYR 41 3HB TYR 41 -2.331 -0.321 7.563 368 HB3 TYR 41 2HB TYR 41 -3.337 -1.622 6.933 369 HD1 TYR 41 HD1 TYR 41 -1.120 -1.340 9.939 370 HD2 TYR 41 HD2 TYR 41 -2.002 -3.425 6.332 371 HE1 TYR 41 HE1 TYR 41 0.666 -2.951 10.438 372 HE2 TYR 41 HE2 TYR 41 -0.218 -5.040 6.825 373 HH TYR 41 HH TYR 41 1.128 -5.451 9.773 374 H LEU 42 H LEU 42 -5.787 -1.169 7.394 375 HA LEU 42 HA LEU 42 -6.259 1.535 6.867 376 HB2 LEU 42 3HB LEU 42 -8.556 0.798 6.189 377 HB3 LEU 42 2HB LEU 42 -8.180 -0.794 6.817 378 HG LEU 42 HG LEU 42 -6.434 -1.084 5.143 379 HD11 LEU 42 1HD1 LEU 42 -8.715 -1.725 4.557 380 HD12 LEU 42 2HD1 LEU 42 -7.839 -1.143 3.140 381 HD13 LEU 42 3HD1 LEU 42 -9.024 -0.104 3.933 382 HD21 LEU 42 3HD2 LEU 42 -6.052 0.582 3.393 383 HD22 LEU 42 1HD2 LEU 42 -5.682 1.244 4.986 384 HD23 LEU 42 2HD2 LEU 42 -7.189 1.681 4.179 385 H GLU 43 H GLU 43 -7.742 -0.539 9.369 386 HA GLU 43 HA GLU 43 -9.594 1.358 10.306 387 HB2 GLU 43 3HB GLU 43 -9.670 -0.017 12.384 388 HB3 GLU 43 2HB GLU 43 -8.301 -0.944 11.780 389 HG2 GLU 43 3HG GLU 43 -9.583 -1.800 9.959 390 HG3 GLU 43 2HG GLU 43 -10.912 -0.693 10.295 391 H GLU 44 H GLU 44 -6.198 0.861 11.117 392 HA GLU 44 HA GLU 44 -6.107 2.789 13.226 393 HB2 GLU 44 3HB GLU 44 -3.867 1.817 11.427 394 HB3 GLU 44 2HB GLU 44 -4.394 1.021 12.902 395 HG2 GLU 44 3HG GLU 44 -3.261 3.812 12.771 396 HG3 GLU 44 2HG GLU 44 -2.337 2.367 13.175 397 H PHE 45 H PHE 45 -5.327 2.927 9.750 398 HA PHE 45 HA PHE 45 -4.581 5.637 9.636 399 HB2 PHE 45 3HB PHE 45 -5.067 5.463 7.198 400 HB3 PHE 45 2HB PHE 45 -5.815 3.895 7.485 401 HD1 PHE 45 HD1 PHE 45 -4.406 2.508 6.209 402 HD2 PHE 45 HD2 PHE 45 -2.717 5.166 9.081 403 HE1 PHE 45 HE1 PHE 45 -2.220 1.418 5.933 404 HE2 PHE 45 HE2 PHE 45 -0.532 4.078 8.804 405 HZ PHE 45 HZ PHE 45 -0.279 2.202 7.229 406 H ARG 46 H ARG 46 -7.746 4.132 9.628 407 HA ARG 46 HA ARG 46 -9.330 6.253 8.727 408 HB2 ARG 46 3HB ARG 46 -11.084 5.165 10.328 409 HB3 ARG 46 2HB ARG 46 -9.839 3.952 10.591 410 HG2 ARG 46 3HG ARG 46 -9.773 3.632 8.089 411 HG3 ARG 46 2HG ARG 46 -11.205 4.658 8.000 412 HD2 ARG 46 3HD ARG 46 -10.924 1.963 9.309 413 HD3 ARG 46 2HD ARG 46 -11.993 2.425 7.994 414 HE ARG 46 HE ARG 46 -12.747 3.992 10.116 415 HH11 ARG 46 1HH1 ARG 46 -12.574 0.606 9.456 416 HH12 ARG 46 2HH1 ARG 46 -13.817 0.221 10.593 417 HH21 ARG 46 2HH2 ARG 46 -14.789 1.829 11.781 418 HH22 ARG 46 1HH2 ARG 46 -14.319 3.480 11.561 419 H LYS 47 H LYS 47 -7.687 5.861 11.770 420 HA LYS 47 HA LYS 47 -9.110 7.803 13.272 421 HB2 LYS 47 3HB LYS 47 -7.049 7.876 14.680 422 HB3 LYS 47 2HB LYS 47 -6.237 6.871 13.486 423 HG2 LYS 47 3HG LYS 47 -7.963 5.111 13.889 424 HG3 LYS 47 2HG LYS 47 -8.597 6.106 15.201 425 HD2 LYS 47 3HD LYS 47 -5.820 4.930 15.018 426 HD3 LYS 47 2HD LYS 47 -7.113 4.405 16.093 427 HE2 LYS 47 3HE LYS 47 -5.711 7.078 16.150 428 HE3 LYS 47 2HE LYS 47 -5.520 5.767 17.312 429 HZ1 LYS 47 3HZ LYS 47 -7.829 6.028 17.947 430 HZ2 LYS 47 1HZ LYS 47 -8.028 7.274 16.823 431 HZ3 LYS 47 2HZ LYS 47 -6.995 7.484 18.141 432 H GLU 48 H GLU 48 -6.489 8.014 10.936 433 HA GLU 48 HA GLU 48 -6.256 10.920 11.344 434 HB2 GLU 48 3HB GLU 48 -4.169 10.779 10.159 435 HB3 GLU 48 2HB GLU 48 -4.522 9.150 9.605 436 HG2 GLU 48 3HG GLU 48 -2.852 9.109 11.354 437 HG3 GLU 48 2HG GLU 48 -4.329 8.318 11.897 438 H SER 49 H SER 49 -8.527 9.561 9.948 439 HA SER 49 HA SER 49 -8.210 9.725 7.127 440 HB2 SER 49 3HB SER 49 -9.867 8.242 8.079 441 HB3 SER 49 2HB SER 49 -10.683 9.422 7.055 442 HG SER 49 HG SER 49 -10.981 8.943 9.702 443 H GLN 50 H GLN 50 -7.784 12.294 8.782 444 HA GLN 50 HA GLN 50 -9.689 14.109 7.565 445 HB2 GLN 50 3HB GLN 50 -8.400 15.866 8.715 446 HB3 GLN 50 2HB GLN 50 -7.195 14.675 9.188 447 HG2 GLN 50 3HG GLN 50 -8.638 15.145 11.050 448 HG3 GLN 50 2HG GLN 50 -8.906 13.492 10.505 449 HE21 GLN 50 2HE2 GLN 50 -12.249 14.014 9.601 450 HE22 GLN 50 1HE2 GLN 50 -10.876 12.970 9.515 451 H ASN 51 H ASN 51 -6.158 13.547 7.373 452 HA ASN 51 HA ASN 51 -6.196 14.605 4.613 453 HB2 ASN 51 3HB ASN 51 -4.300 15.979 4.970 454 HB3 ASN 51 2HB ASN 51 -3.929 15.216 6.513 455 HD21 ASN 51 2HD2 ASN 51 -6.013 17.254 8.404 456 HD22 ASN 51 1HD2 ASN 51 -5.060 15.816 8.342 457 H ILE 52 H ILE 52 -6.228 11.879 5.050 458 HA ILE 52 HA ILE 52 -3.413 11.080 4.622 459 HB ILE 52 HB ILE 52 -4.313 10.288 6.807 460 HG12 ILE 52 3HG1 ILE 52 -2.513 9.062 5.595 461 HG13 ILE 52 2HG1 ILE 52 -3.737 8.058 4.828 462 HG21 ILE 52 1HG2 ILE 52 -6.172 8.613 5.111 463 HG22 ILE 52 2HG2 ILE 52 -6.652 9.973 6.126 464 HG23 ILE 52 3HG2 ILE 52 -5.990 8.515 6.863 465 HD11 ILE 52 3HD1 ILE 52 -4.407 7.215 7.030 466 HD12 ILE 52 1HD1 ILE 52 -3.139 8.191 7.772 467 HD13 ILE 52 2HD1 ILE 52 -2.714 6.884 6.665 468 H LYS 53 H LYS 53 -2.926 9.780 2.924 469 HA LYS 53 HA LYS 53 -5.084 8.327 1.542 470 HB2 LYS 53 3HB LYS 53 -4.317 8.938 -0.635 471 HB3 LYS 53 2HB LYS 53 -2.864 9.692 0.003 472 HG2 LYS 53 3HG LYS 53 -4.021 11.571 0.773 473 HG3 LYS 53 2HG LYS 53 -5.589 10.767 0.660 474 HD2 LYS 53 3HD LYS 53 -3.858 11.454 -1.721 475 HD3 LYS 53 2HD LYS 53 -5.183 12.461 -1.131 476 HE2 LYS 53 3HE LYS 53 -6.685 10.444 -1.422 477 HE3 LYS 53 2HE LYS 53 -5.347 9.675 -2.272 478 HZ1 LYS 53 3HZ LYS 53 -6.899 10.710 -3.798 479 HZ2 LYS 53 1HZ LYS 53 -5.390 11.463 -3.893 480 HZ3 LYS 53 2HZ LYS 53 -6.664 12.217 -3.070 481 H VAL 54 H VAL 54 -4.450 6.310 0.702 482 HA VAL 54 HA VAL 54 -1.726 5.446 1.477 483 HB VAL 54 HB VAL 54 -4.262 3.802 1.657 484 HG11 VAL 54 1HG1 VAL 54 -2.884 2.113 2.748 485 HG12 VAL 54 2HG1 VAL 54 -1.452 3.120 2.530 486 HG13 VAL 54 3HG1 VAL 54 -2.282 2.452 1.125 487 HG21 VAL 54 3HG2 VAL 54 -3.931 3.929 4.098 488 HG22 VAL 54 1HG2 VAL 54 -4.206 5.519 3.384 489 HG23 VAL 54 2HG2 VAL 54 -2.576 5.029 3.847 490 H LEU 55 H LEU 55 -0.542 4.393 0.002 491 HA LEU 55 HA LEU 55 -1.767 3.585 -2.542 492 HB2 LEU 55 3HB LEU 55 1.137 3.792 -1.713 493 HB3 LEU 55 2HB LEU 55 0.249 4.991 -2.636 494 HG LEU 55 HG LEU 55 0.743 2.169 -3.604 495 HD11 LEU 55 1HD1 LEU 55 -1.173 3.262 -4.635 496 HD12 LEU 55 2HD1 LEU 55 0.145 3.078 -5.793 497 HD13 LEU 55 3HD1 LEU 55 -0.171 4.653 -5.058 498 HD21 LEU 55 3HD2 LEU 55 2.876 3.305 -3.305 499 HD22 LEU 55 1HD2 LEU 55 2.295 4.676 -4.250 500 HD23 LEU 55 2HD2 LEU 55 2.505 3.101 -5.017 501 H ILE 56 H ILE 56 -2.301 1.490 -2.843 502 HA ILE 56 HA ILE 56 -1.084 -0.529 -1.059 503 HB ILE 56 HB ILE 56 -3.765 -0.657 -2.462 504 HG12 ILE 56 3HG1 ILE 56 -3.720 1.020 -0.645 505 HG13 ILE 56 2HG1 ILE 56 -3.108 -0.198 0.468 506 HG21 ILE 56 1HG2 ILE 56 -2.548 -2.517 -0.409 507 HG22 ILE 56 2HG2 ILE 56 -2.724 -2.859 -2.131 508 HG23 ILE 56 3HG2 ILE 56 -4.156 -2.661 -1.123 509 HD11 ILE 56 3HD1 ILE 56 -5.479 0.181 0.791 510 HD12 ILE 56 1HD1 ILE 56 -5.179 -1.464 0.231 511 HD13 ILE 56 2HD1 ILE 56 -5.792 -0.247 -0.890 512 H LEU 57 H LEU 57 0.381 -1.769 -2.020 513 HA LEU 57 HA LEU 57 0.149 -2.387 -4.889 514 HB2 LEU 57 3HB LEU 57 2.496 -3.313 -4.579 515 HB3 LEU 57 2HB LEU 57 2.463 -2.650 -2.958 516 HG LEU 57 HG LEU 57 3.696 -1.248 -4.600 517 HD11 LEU 57 1HD1 LEU 57 0.992 -0.782 -5.851 518 HD12 LEU 57 2HD1 LEU 57 2.306 -1.721 -6.560 519 HD13 LEU 57 3HD1 LEU 57 2.506 0.010 -6.292 520 HD21 LEU 57 3HD2 LEU 57 2.754 -0.230 -2.589 521 HD22 LEU 57 1HD2 LEU 57 1.239 0.071 -3.443 522 HD23 LEU 57 2HD2 LEU 57 2.716 0.890 -3.952 523 H VAL 58 H VAL 58 -0.795 -4.259 -5.399 524 HA VAL 58 HA VAL 58 -0.890 -6.386 -3.355 525 HB VAL 58 HB VAL 58 -2.970 -7.140 -4.398 526 HG11 VAL 58 1HG1 VAL 58 -4.406 -5.266 -3.765 527 HG12 VAL 58 2HG1 VAL 58 -3.023 -4.173 -3.811 528 HG13 VAL 58 3HG1 VAL 58 -3.089 -5.459 -2.607 529 HG21 VAL 58 3HG2 VAL 58 -2.620 -4.787 -6.265 530 HG22 VAL 58 1HG2 VAL 58 -4.044 -5.824 -6.169 531 HG23 VAL 58 2HG2 VAL 58 -2.504 -6.491 -6.706 532 H SER 59 H SER 59 -0.698 -8.552 -3.966 533 HA SER 59 HA SER 59 1.104 -9.107 -6.136 534 HB2 SER 59 3HB SER 59 1.289 -10.333 -4.026 535 HB3 SER 59 2HB SER 59 0.912 -11.460 -5.330 536 HG SER 59 HG SER 59 -0.357 -11.667 -3.318 537 H ASN 60 H ASN 60 -2.199 -10.236 -5.365 538 HA ASN 60 HA ASN 60 -2.544 -11.057 -8.188 539 HB2 ASN 60 3HB ASN 60 -4.184 -12.672 -7.376 540 HB3 ASN 60 2HB ASN 60 -4.027 -12.044 -5.737 541 HD21 ASN 60 2HD2 ASN 60 -1.773 -14.593 -5.139 542 HD22 ASN 60 1HD2 ASN 60 -3.301 -13.874 -4.787 543 H ASP 61 H ASP 61 -4.726 -10.839 -9.123 544 HA ASP 61 HA ASP 61 -5.951 -8.333 -8.702 545 HB2 ASP 61 3HB ASP 61 -7.728 -9.173 -10.201 546 HB3 ASP 61 2HB ASP 61 -7.077 -10.804 -10.052 547 H GLU 62 H GLU 62 -6.600 -11.510 -7.361 548 HA GLU 62 HA GLU 62 -9.024 -10.989 -6.044 549 HB2 GLU 62 3HB GLU 62 -6.707 -12.775 -5.258 550 HB3 GLU 62 2HB GLU 62 -8.105 -13.234 -6.219 551 HG2 GLU 62 3HG GLU 62 -9.547 -12.804 -4.246 552 HG3 GLU 62 2HG GLU 62 -8.094 -12.481 -3.300 553 H GLU 63 H GLU 63 -5.684 -10.721 -4.803 554 HA GLU 63 HA GLU 63 -6.223 -9.484 -2.363 555 HB2 GLU 63 3HB GLU 63 -3.905 -8.718 -2.416 556 HB3 GLU 63 2HB GLU 63 -3.828 -8.978 -4.151 557 HG2 GLU 63 3HG GLU 63 -2.675 -10.754 -3.029 558 HG3 GLU 63 2HG GLU 63 -4.134 -11.394 -3.781 559 H LEU 64 H LEU 64 -5.825 -8.110 -5.588 560 HA LEU 64 HA LEU 64 -5.895 -5.380 -5.023 561 HB2 LEU 64 3HB LEU 64 -7.128 -6.813 -7.386 562 HB3 LEU 64 2HB LEU 64 -5.429 -6.415 -7.241 563 HG LEU 64 HG LEU 64 -7.610 -4.320 -7.257 564 HD11 LEU 64 1HD1 LEU 64 -4.633 -4.145 -7.728 565 HD12 LEU 64 2HD1 LEU 64 -5.488 -3.623 -6.276 566 HD13 LEU 64 3HD1 LEU 64 -5.780 -2.806 -7.812 567 HD21 LEU 64 3HD2 LEU 64 -7.680 -5.592 -9.356 568 HD22 LEU 64 1HD2 LEU 64 -5.954 -5.308 -9.587 569 HD23 LEU 64 2HD2 LEU 64 -7.086 -3.953 -9.611 570 H ASP 65 H ASP 65 -8.607 -7.585 -5.741 571 HA ASP 65 HA ASP 65 -10.633 -5.626 -5.499 572 HB2 ASP 65 3HB ASP 65 -10.945 -8.618 -5.148 573 HB3 ASP 65 2HB ASP 65 -10.831 -7.820 -6.713 574 H LYS 66 H LYS 66 -9.349 -8.006 -3.181 575 HA LYS 66 HA LYS 66 -11.166 -7.492 -1.102 576 HB2 LYS 66 3HB LYS 66 -9.460 -8.473 0.398 577 HB3 LYS 66 2HB LYS 66 -8.281 -8.389 -0.904 578 HG2 LYS 66 3HG LYS 66 -9.275 -10.642 -0.570 579 HG3 LYS 66 2HG LYS 66 -9.486 -9.999 -2.198 580 HD2 LYS 66 3HD LYS 66 -11.542 -11.061 -1.408 581 HD3 LYS 66 2HD LYS 66 -11.778 -9.328 -1.651 582 HE2 LYS 66 3HE LYS 66 -11.411 -8.998 0.796 583 HE3 LYS 66 2HE LYS 66 -11.374 -10.751 0.978 584 HZ1 LYS 66 3HZ LYS 66 -13.659 -9.202 -0.110 585 HZ2 LYS 66 1HZ LYS 66 -13.555 -9.814 1.465 586 HZ3 LYS 66 2HZ LYS 66 -13.619 -10.872 0.151 587 H ALA 67 H ALA 67 -8.037 -5.963 -1.835 588 HA ALA 67 HA ALA 67 -7.872 -4.302 0.424 589 HB1 ALA 67 3HB ALA 67 -6.794 -3.792 -2.352 590 HB2 ALA 67 1HB ALA 67 -5.981 -4.694 -1.073 591 HB3 ALA 67 2HB ALA 67 -6.286 -2.967 -0.879 592 H LYS 68 H LYS 68 -9.137 -3.537 -2.836 593 HA LYS 68 HA LYS 68 -9.968 -0.911 -2.176 594 HB2 LYS 68 3HB LYS 68 -9.597 -1.456 -4.475 595 HB3 LYS 68 2HB LYS 68 -11.297 -1.043 -4.295 596 HG2 LYS 68 3HG LYS 68 -11.907 -3.385 -4.334 597 HG3 LYS 68 2HG LYS 68 -10.209 -3.849 -4.390 598 HD2 LYS 68 3HD LYS 68 -11.056 -4.031 -6.604 599 HD3 LYS 68 2HD LYS 68 -10.021 -2.604 -6.559 600 HE2 LYS 68 3HE LYS 68 -11.958 -1.156 -6.401 601 HE3 LYS 68 2HE LYS 68 -13.029 -2.554 -6.318 602 HZ1 LYS 68 3HZ LYS 68 -11.399 -1.662 -8.623 603 HZ2 LYS 68 1HZ LYS 68 -13.085 -1.781 -8.524 604 HZ3 LYS 68 2HZ LYS 68 -12.140 -3.184 -8.554 605 H GLU 69 H GLU 69 -11.668 -4.032 -1.985 606 HA GLU 69 HA GLU 69 -14.259 -3.118 -1.482 607 HB2 GLU 69 3HB GLU 69 -14.439 -5.196 0.037 608 HB3 GLU 69 2HB GLU 69 -12.774 -5.524 -0.421 609 HG2 GLU 69 3HG GLU 69 -13.371 -5.804 -2.709 610 HG3 GLU 69 2HG GLU 69 -15.007 -5.216 -2.412 611 H LEU 70 H LEU 70 -11.758 -3.889 0.940 612 HA LEU 70 HA LEU 70 -13.156 -3.022 3.200 613 HB2 LEU 70 3HB LEU 70 -10.943 -2.895 4.295 614 HB3 LEU 70 2HB LEU 70 -10.167 -3.014 2.726 615 HG LEU 70 HG LEU 70 -11.118 -5.282 2.440 616 HD11 LEU 70 1HD1 LEU 70 -8.883 -5.043 3.374 617 HD12 LEU 70 2HD1 LEU 70 -9.718 -6.416 4.100 618 HD13 LEU 70 3HD1 LEU 70 -9.558 -4.906 5.000 619 HD21 LEU 70 3HD2 LEU 70 -12.186 -6.409 4.331 620 HD22 LEU 70 1HD2 LEU 70 -13.126 -5.012 3.811 621 HD23 LEU 70 2HD2 LEU 70 -12.132 -4.913 5.263 622 H ALA 71 H ALA 71 -11.005 -1.222 1.031 623 HA ALA 71 HA ALA 71 -10.963 1.207 2.465 624 HB1 ALA 71 3HB ALA 71 -10.137 2.205 0.402 625 HB2 ALA 71 1HB ALA 71 -10.641 0.778 -0.506 626 HB3 ALA 71 2HB ALA 71 -9.360 0.649 0.700 627 H GLN 72 H GLN 72 -13.088 0.136 -0.206 628 HA GLN 72 HA GLN 72 -14.579 2.525 -0.425 629 HB2 GLN 72 3HB GLN 72 -16.319 1.045 -1.513 630 HB3 GLN 72 2HB GLN 72 -15.299 -0.330 -1.119 631 HG2 GLN 72 3HG GLN 72 -13.505 0.596 -2.502 632 HG3 GLN 72 2HG GLN 72 -14.525 1.979 -2.896 633 HE21 GLN 72 2HE2 GLN 72 -14.672 -0.739 -5.516 634 HE22 GLN 72 1HE2 GLN 72 -13.352 -0.011 -4.676 635 H LYS 73 H LYS 73 -15.260 -0.473 1.366 636 HA LYS 73 HA LYS 73 -17.789 0.355 2.330 637 HB2 LYS 73 3HB LYS 73 -17.537 -1.577 3.919 638 HB3 LYS 73 2HB LYS 73 -15.909 -1.808 3.287 639 HG2 LYS 73 3HG LYS 73 -16.821 -2.203 1.055 640 HG3 LYS 73 2HG LYS 73 -18.454 -1.932 1.663 641 HD2 LYS 73 3HD LYS 73 -18.114 -4.293 1.502 642 HD3 LYS 73 2HD LYS 73 -18.137 -3.864 3.212 643 HE2 LYS 73 3HE LYS 73 -15.707 -3.954 3.295 644 HE3 LYS 73 2HE LYS 73 -15.642 -4.303 1.567 645 HZ1 LYS 73 3HZ LYS 73 -16.767 -6.032 3.697 646 HZ2 LYS 73 1HZ LYS 73 -15.406 -6.339 2.742 647 HZ3 LYS 73 2HZ LYS 73 -16.945 -6.345 2.044 648 H MET 74 H MET 74 -14.553 0.840 3.595 649 HA MET 74 HA MET 74 -15.680 2.096 6.006 650 HB2 MET 74 3HB MET 74 -13.255 2.265 6.713 651 HB3 MET 74 2HB MET 74 -12.848 1.331 5.278 652 HG2 MET 74 3HG MET 74 -14.171 -0.536 6.077 653 HG3 MET 74 2HG MET 74 -14.686 0.403 7.477 654 HE1 MET 74 3HE MET 74 -11.789 -1.565 5.760 655 HE2 MET 74 1HE MET 74 -10.406 -1.182 6.783 656 HE3 MET 74 2HE MET 74 -11.119 0.067 5.758 657 H GLU 75 H GLU 75 -14.989 2.984 2.934 658 HA GLU 75 HA GLU 75 -14.663 4.921 1.821 659 HB2 GLU 75 3HB GLU 75 -15.522 6.992 2.876 660 HB3 GLU 75 2HB GLU 75 -15.622 6.149 4.417 661 HG2 GLU 75 3HG GLU 75 -17.250 4.587 3.454 662 HG3 GLU 75 2HG GLU 75 -17.154 5.437 1.915 663 H ILE 76 H ILE 76 -12.386 4.484 1.744 664 HA ILE 76 HA ILE 76 -10.786 6.523 3.169 665 HB ILE 76 HB ILE 76 -9.850 3.704 2.551 666 HG12 ILE 76 3HG1 ILE 76 -11.544 3.777 4.383 667 HG13 ILE 76 2HG1 ILE 76 -10.527 4.925 5.245 668 HG21 ILE 76 1HG2 ILE 76 -8.510 5.927 4.102 669 HG22 ILE 76 2HG2 ILE 76 -8.052 5.363 2.493 670 HG23 ILE 76 3HG2 ILE 76 -7.878 4.293 3.887 671 HD11 ILE 76 3HD1 ILE 76 -8.769 3.253 5.427 672 HD12 ILE 76 1HD1 ILE 76 -9.769 2.098 4.544 673 HD13 ILE 76 2HD1 ILE 76 -10.280 2.678 6.130 674 H ASP 77 H ASP 77 -9.131 7.502 1.956 675 HA ASP 77 HA ASP 77 -9.344 7.251 -0.926 676 HB2 ASP 77 3HB ASP 77 -7.664 9.107 -0.949 677 HB3 ASP 77 2HB ASP 77 -7.633 9.044 0.812 678 H VAL 78 H VAL 78 -8.436 5.371 -1.646 679 HA VAL 78 HA VAL 78 -5.546 5.026 -1.149 680 HB VAL 78 HB VAL 78 -5.785 2.606 -1.172 681 HG11 VAL 78 1HG1 VAL 78 -5.927 3.726 0.992 682 HG12 VAL 78 2HG1 VAL 78 -6.937 2.282 0.967 683 HG13 VAL 78 3HG1 VAL 78 -7.676 3.876 0.815 684 HG21 VAL 78 3HG2 VAL 78 -8.758 3.097 -1.411 685 HG22 VAL 78 1HG2 VAL 78 -7.996 1.528 -1.145 686 HG23 VAL 78 2HG2 VAL 78 -7.711 2.403 -2.650 687 H ARG 79 H ARG 79 -4.320 4.077 -2.823 688 HA ARG 79 HA ARG 79 -5.650 3.832 -5.453 689 HB2 ARG 79 3HB ARG 79 -3.317 4.361 -6.390 690 HB3 ARG 79 2HB ARG 79 -2.901 4.888 -4.763 691 HG2 ARG 79 3HG ARG 79 -4.714 6.555 -4.854 692 HG3 ARG 79 2HG ARG 79 -5.088 6.041 -6.499 693 HD2 ARG 79 3HD ARG 79 -2.710 6.634 -7.112 694 HD3 ARG 79 2HD ARG 79 -2.562 7.368 -5.515 695 HE ARG 79 HE ARG 79 -4.671 8.257 -7.356 696 HH11 ARG 79 1HH1 ARG 79 -1.822 8.991 -5.540 697 HH12 ARG 79 2HH1 ARG 79 -1.967 10.691 -5.824 698 HH21 ARG 79 2HH2 ARG 79 -3.621 11.493 -7.012 699 HH22 ARG 79 1HH2 ARG 79 -4.815 10.443 -7.699 700 H THR 80 H THR 80 -5.801 1.746 -6.012 701 HA THR 80 HA THR 80 -3.948 -0.204 -4.818 702 HB THR 80 HB THR 80 -5.643 -1.898 -5.649 703 HG1 THR 80 HG1 THR 80 -6.589 -0.197 -7.140 704 HG21 THR 80 3HG2 THR 80 -7.226 -1.471 -3.841 705 HG22 THR 80 1HG2 THR 80 -6.636 0.185 -3.697 706 HG23 THR 80 2HG2 THR 80 -5.570 -1.169 -3.315 707 H ARG 81 H ARG 81 -2.272 -0.805 -6.016 708 HA ARG 81 HA ARG 81 -2.658 -1.241 -8.923 709 HB2 ARG 81 3HB ARG 81 -0.267 -0.668 -9.224 710 HB3 ARG 81 2HB ARG 81 -0.150 -0.298 -7.512 711 HG2 ARG 81 3HG ARG 81 -0.324 1.769 -8.610 712 HG3 ARG 81 2HG ARG 81 -1.903 1.476 -7.886 713 HD2 ARG 81 3HD ARG 81 -1.294 0.803 -10.757 714 HD3 ARG 81 2HD ARG 81 -1.882 2.387 -10.257 715 HE ARG 81 HE ARG 81 -3.552 0.287 -9.308 716 HH11 ARG 81 1HH1 ARG 81 -2.824 2.171 -12.093 717 HH12 ARG 81 2HH1 ARG 81 -4.413 2.012 -12.747 718 HH21 ARG 81 2HH2 ARG 81 -5.959 0.854 -11.660 719 HH22 ARG 81 1HH2 ARG 81 -5.596 0.103 -10.146 720 H LYS 82 H LYS 82 -1.882 -3.144 -9.785 721 HA LYS 82 HA LYS 82 -0.989 -5.189 -7.872 722 HB2 LYS 82 3HB LYS 82 -1.913 -5.488 -10.744 723 HB3 LYS 82 2HB LYS 82 -2.922 -5.714 -9.320 724 HG2 LYS 82 3HG LYS 82 -1.523 -7.598 -8.618 725 HG3 LYS 82 2HG LYS 82 -0.501 -7.371 -10.037 726 HD2 LYS 82 3HD LYS 82 -3.448 -8.047 -10.108 727 HD3 LYS 82 2HD LYS 82 -2.133 -9.201 -10.334 728 HE2 LYS 82 3HE LYS 82 -1.379 -7.943 -12.310 729 HE3 LYS 82 2HE LYS 82 -2.720 -6.817 -12.098 730 HZ1 LYS 82 3HZ LYS 82 -3.242 -8.481 -13.752 731 HZ2 LYS 82 1HZ LYS 82 -4.257 -8.662 -12.413 732 HZ3 LYS 82 2HZ LYS 82 -2.966 -9.724 -12.643 733 H VAL 83 H VAL 83 1.091 -5.836 -7.775 734 HA VAL 83 HA VAL 83 2.828 -5.329 -10.110 735 HB VAL 83 HB VAL 83 4.692 -4.765 -8.567 736 HG11 VAL 83 1HG1 VAL 83 3.934 -2.486 -8.058 737 HG12 VAL 83 2HG1 VAL 83 2.264 -2.977 -8.343 738 HG13 VAL 83 3HG1 VAL 83 3.427 -2.994 -9.670 739 HG21 VAL 83 3HG2 VAL 83 4.170 -4.137 -6.236 740 HG22 VAL 83 1HG2 VAL 83 3.893 -5.854 -6.538 741 HG23 VAL 83 2HG2 VAL 83 2.527 -4.742 -6.453 742 H THR 84 H THR 84 4.118 -6.940 -10.727 743 HA THR 84 HA THR 84 4.474 -9.275 -8.938 744 HB THR 84 HB THR 84 4.757 -10.645 -10.991 745 HG1 THR 84 HG1 THR 84 3.878 -9.507 -12.969 746 HG21 THR 84 3HG2 THR 84 2.395 -10.670 -11.665 747 HG22 THR 84 1HG2 THR 84 2.152 -9.106 -10.889 748 HG23 THR 84 2HG2 THR 84 2.556 -10.520 -9.915 749 H SER 85 H SER 85 6.106 -6.700 -9.617 750 HA SER 85 HA SER 85 8.704 -8.015 -9.589 751 HB2 SER 85 3HB SER 85 9.608 -6.591 -11.420 752 HB3 SER 85 2HB SER 85 7.980 -5.985 -11.727 753 HG SER 85 HG SER 85 8.345 -8.755 -11.709 754 HA PRO 86 HA PRO 86 9.611 -4.949 -6.563 755 HB2 PRO 86 2HB PRO 86 12.343 -4.845 -7.758 756 HB3 PRO 86 3HB PRO 86 11.852 -5.149 -6.088 757 HG2 PRO 86 3HG PRO 86 11.316 -7.373 -6.507 758 HG3 PRO 86 2HG PRO 86 12.678 -7.153 -7.622 759 HD2 PRO 86 3HD PRO 86 10.286 -8.045 -8.475 760 HD3 PRO 86 2HD PRO 86 11.290 -6.975 -9.479 761 H ASP 87 H ASP 87 11.327 -4.110 -9.611 762 HA ASP 87 HA ASP 87 11.490 -1.376 -9.134 763 HB2 ASP 87 3HB ASP 87 11.798 -1.183 -11.627 764 HB3 ASP 87 2HB ASP 87 11.438 -2.908 -11.731 765 H GLU 88 H GLU 88 8.785 -3.194 -10.417 766 HA GLU 88 HA GLU 88 7.259 -1.032 -11.392 767 HB2 GLU 88 3HB GLU 88 5.308 -2.517 -11.112 768 HB3 GLU 88 2HB GLU 88 6.277 -3.613 -10.135 769 HG2 GLU 88 3HG GLU 88 5.992 -4.427 -12.421 770 HG3 GLU 88 2HG GLU 88 7.686 -4.125 -12.036 771 H ALA 89 H ALA 89 6.963 -2.723 -8.250 772 HA ALA 89 HA ALA 89 5.262 -0.884 -7.005 773 HB1 ALA 89 3HB ALA 89 5.990 -1.879 -4.891 774 HB2 ALA 89 1HB ALA 89 7.358 -2.638 -5.708 775 HB3 ALA 89 2HB ALA 89 5.710 -3.119 -6.113 776 H LYS 90 H LYS 90 8.799 -0.996 -7.126 777 HA LYS 90 HA LYS 90 9.474 1.121 -5.471 778 HB2 LYS 90 3HB LYS 90 11.476 1.391 -7.027 779 HB3 LYS 90 2HB LYS 90 10.746 0.155 -8.043 780 HG2 LYS 90 3HG LYS 90 10.796 -1.387 -6.060 781 HG3 LYS 90 2HG LYS 90 11.724 -0.155 -5.206 782 HD2 LYS 90 3HD LYS 90 12.539 -1.587 -7.740 783 HD3 LYS 90 2HD LYS 90 13.222 -1.817 -6.136 784 HE2 LYS 90 3HE LYS 90 14.058 0.480 -6.143 785 HE3 LYS 90 2HE LYS 90 13.363 0.732 -7.743 786 HZ1 LYS 90 3HZ LYS 90 15.481 -1.239 -7.072 787 HZ2 LYS 90 1HZ LYS 90 15.717 0.230 -7.880 788 HZ3 LYS 90 2HZ LYS 90 14.812 -1.000 -8.607 789 H ARG 91 H ARG 91 8.720 1.259 -8.969 790 HA ARG 91 HA ARG 91 8.926 4.067 -9.177 791 HB2 ARG 91 3HB ARG 91 7.287 2.172 -10.885 792 HB3 ARG 91 2HB ARG 91 8.964 2.634 -11.172 793 HG2 ARG 91 3HG ARG 91 8.321 4.923 -11.560 794 HG3 ARG 91 2HG ARG 91 6.657 4.578 -11.099 795 HD2 ARG 91 3HD ARG 91 6.500 3.021 -13.040 796 HD3 ARG 91 2HD ARG 91 8.106 3.566 -13.539 797 HE ARG 91 HE ARG 91 6.757 5.883 -13.288 798 HH11 ARG 91 1HH1 ARG 91 6.069 2.979 -15.020 799 HH12 ARG 91 2HH1 ARG 91 5.066 3.788 -16.173 800 HH21 ARG 91 2HH2 ARG 91 4.728 5.966 -16.039 801 HH22 ARG 91 1HH2 ARG 91 5.472 6.899 -14.782 802 H TRP 92 H TRP 92 6.073 1.965 -8.664 803 HA TRP 92 HA TRP 92 4.128 3.959 -8.765 804 HB2 TRP 92 3HB TRP 92 2.775 2.360 -7.275 805 HB3 TRP 92 2HB TRP 92 4.186 1.305 -7.335 806 HD1 TRP 92 HD1 TRP 92 4.189 -0.372 -9.309 807 HE1 TRP 92 HE1 TRP 92 2.977 -0.549 -11.576 808 HE3 TRP 92 HE3 TRP 92 1.690 4.085 -9.241 809 HZ2 TRP 92 HZ2 TRP 92 1.190 0.993 -13.121 810 HZ3 TRP 92 HZ3 TRP 92 0.248 4.659 -11.148 811 HH2 TRP 92 HH2 TRP 92 0.004 3.146 -13.052 812 H ILE 93 H ILE 93 6.050 2.908 -5.957 813 HA ILE 93 HA ILE 93 4.832 4.556 -4.030 814 HB ILE 93 HB ILE 93 7.726 3.679 -4.230 815 HG12 ILE 93 3HG1 ILE 93 6.098 1.827 -4.100 816 HG13 ILE 93 2HG1 ILE 93 5.398 2.540 -2.652 817 HG21 ILE 93 1HG2 ILE 93 7.866 4.165 -1.819 818 HG22 ILE 93 2HG2 ILE 93 6.243 4.854 -1.872 819 HG23 ILE 93 3HG2 ILE 93 7.555 5.615 -2.772 820 HD11 ILE 93 3HD1 ILE 93 8.212 1.503 -2.910 821 HD12 ILE 93 1HD1 ILE 93 6.867 0.680 -2.119 822 HD13 ILE 93 2HD1 ILE 93 7.489 2.192 -1.455 823 H LYS 94 H LYS 94 7.527 5.201 -6.261 824 HA LYS 94 HA LYS 94 8.023 7.878 -5.540 825 HB2 LYS 94 3HB LYS 94 8.378 6.401 -8.154 826 HB3 LYS 94 2HB LYS 94 9.589 6.680 -6.911 827 HG2 LYS 94 3HG LYS 94 9.540 9.083 -7.403 828 HG3 LYS 94 2HG LYS 94 8.346 8.789 -8.670 829 HD2 LYS 94 3HD LYS 94 9.978 7.307 -9.811 830 HD3 LYS 94 2HD LYS 94 11.172 7.720 -8.581 831 HE2 LYS 94 3HE LYS 94 9.872 9.611 -10.542 832 HE3 LYS 94 2HE LYS 94 11.548 9.064 -10.555 833 HZ1 LYS 94 3HZ LYS 94 10.237 10.816 -8.564 834 HZ2 LYS 94 1HZ LYS 94 11.510 11.208 -9.601 835 HZ3 LYS 94 2HZ LYS 94 11.765 10.131 -8.322 836 H GLU 95 H GLU 95 5.960 6.601 -8.165 837 HA GLU 95 HA GLU 95 4.992 8.965 -9.232 838 HB2 GLU 95 3HB GLU 95 3.080 7.661 -10.041 839 HB3 GLU 95 2HB GLU 95 3.428 6.391 -8.881 840 HG2 GLU 95 3HG GLU 95 4.182 5.645 -10.998 841 HG3 GLU 95 2HG GLU 95 5.605 6.017 -10.032 842 H PHE 96 H PHE 96 3.637 7.050 -6.562 843 HA PHE 96 HA PHE 96 1.349 8.610 -6.083 844 HB2 PHE 96 3HB PHE 96 2.927 6.899 -4.144 845 HB3 PHE 96 2HB PHE 96 1.660 6.325 -5.221 846 HD1 PHE 96 HD1 PHE 96 2.390 7.628 -1.985 847 HD2 PHE 96 HD2 PHE 96 -0.692 7.322 -4.913 848 HE1 PHE 96 HE1 PHE 96 0.700 8.065 -0.252 849 HE2 PHE 96 HE2 PHE 96 -2.382 7.763 -3.181 850 HZ PHE 96 HZ PHE 96 -1.686 8.134 -0.849 851 H SER 97 H SER 97 4.596 8.782 -4.627 852 HA SER 97 HA SER 97 3.977 10.810 -2.740 853 HB2 SER 97 3HB SER 97 6.668 10.130 -3.966 854 HB3 SER 97 2HB SER 97 5.969 9.370 -2.538 855 HG SER 97 HG SER 97 6.949 10.911 -1.494 856 H GLU 98 H GLU 98 5.407 10.981 -6.006 857 HA GLU 98 HA GLU 98 5.739 13.806 -5.999 858 HB2 GLU 98 3HB GLU 98 6.092 13.570 -8.427 859 HB3 GLU 98 2HB GLU 98 5.498 11.915 -8.353 860 HG2 GLU 98 3HG GLU 98 7.363 11.282 -6.929 861 HG3 GLU 98 2HG GLU 98 7.942 12.946 -6.918 862 H GLU 99 H GLU 99 3.026 11.733 -6.789 863 HA GLU 99 HA GLU 99 1.371 13.763 -7.931 864 HB2 GLU 99 3HB GLU 99 0.237 11.446 -6.385 865 HB3 GLU 99 2HB GLU 99 1.128 11.124 -7.858 866 HG2 GLU 99 3HG GLU 99 -1.184 11.173 -8.387 867 HG3 GLU 99 2HG GLU 99 -0.427 12.596 -9.092 868 H GLY 100 H GLY 100 1.594 12.339 -4.675 869 HA2 GLY 100 3HA GLY 100 0.926 14.903 -3.469 870 HA3 GLY 100 2HA GLY 100 1.492 13.468 -2.634 871 H GLY 101 H GLY 101 -1.340 14.920 -4.181 872 HA2 GLY 101 3HA GLY 101 -3.065 14.436 -2.066 873 HA3 GLY 101 2HA GLY 101 -3.201 13.035 -3.118 874 H SER 102 H SER 102 -5.480 13.900 -3.107 875 HA SER 102 HA SER 102 -5.803 15.729 -5.401 876 HB2 SER 102 3HB SER 102 -6.564 13.516 -5.981 877 HB3 SER 102 2HB SER 102 -7.986 14.535 -5.775 878 HG SER 102 HG SER 102 -8.629 13.156 -4.343 879 H LEU 103 H LEU 103 -6.000 17.647 -4.301 880 HA LEU 103 HA LEU 103 -8.074 17.935 -2.256 881 HB2 LEU 103 3HB LEU 103 -7.209 20.225 -2.016 882 HB3 LEU 103 2HB LEU 103 -6.140 19.975 -3.385 883 HG LEU 103 HG LEU 103 -4.928 18.240 -2.110 884 HD11 LEU 103 1HD1 LEU 103 -5.171 20.877 -0.663 885 HD12 LEU 103 2HD1 LEU 103 -4.127 20.536 -2.042 886 HD13 LEU 103 3HD1 LEU 103 -3.840 19.731 -0.500 887 HD21 LEU 103 3HD2 LEU 103 -6.765 17.470 -0.689 888 HD22 LEU 103 1HD2 LEU 103 -6.760 19.012 0.170 889 HD23 LEU 103 2HD2 LEU 103 -5.367 17.933 0.281 890 H GLU 104 H GLU 104 -7.404 18.791 -5.581 891 HA GLU 104 HA GLU 104 -9.591 20.556 -5.980 892 HB2 GLU 104 3HB GLU 104 -7.778 20.620 -7.540 893 HB3 GLU 104 2HB GLU 104 -9.204 20.080 -8.416 894 HG2 GLU 104 3HG GLU 104 -8.404 17.744 -8.202 895 HG3 GLU 104 2HG GLU 104 -6.943 18.348 -7.425 896 H HIS 105 H HIS 105 -11.414 19.570 -5.043 897 HA HIS 105 HA HIS 105 -12.410 17.092 -6.230 898 HB2 HIS 105 3HB HIS 105 -14.182 17.215 -4.534 899 HB3 HIS 105 2HB HIS 105 -13.595 18.793 -4.022 900 HD1 HIS 105 HD1 HIS 105 -11.769 15.480 -4.556 901 HD2 HIS 105 HD2 HIS 105 -12.316 18.425 -1.671 902 HE1 HIS 105 HE1 HIS 105 -10.374 14.770 -2.596 903 HE2 HIS 105 HE2 HIS 105 -10.813 16.498 -0.820 904 H HIS 106 H HIS 106 -13.554 17.168 -8.030 905 HA HIS 106 HA HIS 106 -14.472 19.523 -9.254 906 HB2 HIS 106 3HB HIS 106 -15.315 16.670 -9.811 907 HB3 HIS 106 2HB HIS 106 -13.857 17.431 -10.435 908 HD1 HIS 106 HD1 HIS 106 -17.377 16.918 -11.188 909 HD2 HIS 106 HD2 HIS 106 -14.419 19.624 -12.278 910 HE1 HIS 106 HE1 HIS 106 -18.227 18.043 -13.262 911 HE2 HIS 106 HE2 HIS 106 -16.324 19.498 -14.017 912 H HIS 107 H HIS 107 -16.168 20.755 -8.716 913 HA HIS 107 HA HIS 107 -18.765 19.509 -8.190 914 HB2 HIS 107 3HB HIS 107 -19.175 21.143 -6.293 915 HB3 HIS 107 2HB HIS 107 -17.448 21.487 -6.310 916 HD1 HIS 107 HD1 HIS 107 -19.740 18.486 -5.873 917 HD2 HIS 107 HD2 HIS 107 -15.999 19.851 -4.688 918 HE1 HIS 107 HE1 HIS 107 -18.899 16.792 -4.230 919 HE2 HIS 107 HE2 HIS 107 -16.753 17.764 -3.357 920 H HIS 108 H HIS 108 -20.514 20.718 -8.898 921 HA HIS 108 HA HIS 108 -20.013 22.785 -10.797 922 HB2 HIS 108 3HB HIS 108 -22.638 21.921 -9.549 923 HB3 HIS 108 2HB HIS 108 -21.912 21.213 -10.987 924 HD1 HIS 108 HD1 HIS 108 -23.865 24.165 -9.821 925 HD2 HIS 108 HD2 HIS 108 -22.082 22.797 -13.321 926 HE1 HIS 108 HE1 HIS 108 -24.760 25.631 -11.652 927 HE2 HIS 108 HE2 HIS 108 -23.543 24.895 -13.724 928 H HIS 109 H HIS 109 -19.904 24.953 -10.519 929 HA HIS 109 HA HIS 109 -19.763 26.074 -7.938 930 HB2 HIS 109 3HB HIS 109 -20.075 27.494 -10.595 931 HB3 HIS 109 2HB HIS 109 -18.550 27.004 -9.863 932 HD1 HIS 109 HD1 HIS 109 -20.814 29.811 -10.076 933 HD2 HIS 109 HD2 HIS 109 -18.083 28.389 -7.281 934 HE1 HIS 109 HE1 HIS 109 -20.367 31.734 -8.531 935 HE2 HIS 109 HE2 HIS 109 -18.621 30.897 -6.934 936 H HIS 110 H HIS 110 -21.385 26.445 -6.588 937 HA HIS 110 HA HIS 110 -24.094 26.922 -7.517 938 HB2 HIS 110 3HB HIS 110 -22.930 26.810 -4.717 939 HB3 HIS 110 2HB HIS 110 -23.740 25.497 -5.564 940 HD1 HIS 110 HD1 HIS 110 -24.375 28.216 -3.258 941 HD2 HIS 110 HD2 HIS 110 -26.596 26.103 -6.068 942 HE1 HIS 110 HE1 HIS 110 -26.774 28.661 -2.693 943 HE2 HIS 110 HE2 HIS 110 -28.096 27.282 -4.317 Start of MODEL 13 1 H1 MET 1 1H MET 1 1.373 16.770 4.733 2 H2 MET 1 2H MET 1 0.705 17.722 3.503 3 H3 MET 1 3H MET 1 1.738 16.441 3.112 4 HA MET 1 HA MET 1 -0.923 16.190 4.392 5 HB2 MET 1 3HB MET 1 -0.081 15.434 1.581 6 HB3 MET 1 2HB MET 1 -0.946 16.909 1.988 7 HG2 MET 1 3HG MET 1 -2.751 15.430 2.961 8 HG3 MET 1 2HG MET 1 -1.922 14.076 2.200 9 HE1 MET 1 3HE MET 1 -5.029 15.200 1.744 10 HE2 MET 1 1HE MET 1 -4.420 13.670 1.113 11 HE3 MET 1 2HE MET 1 -5.184 14.830 0.026 12 H LEU 2 H LEU 2 -1.596 14.037 4.849 13 HA LEU 2 HA LEU 2 0.600 12.300 5.557 14 HB2 LEU 2 3HB LEU 2 -1.139 10.862 6.564 15 HB3 LEU 2 2HB LEU 2 -2.377 11.912 5.910 16 HG LEU 2 HG LEU 2 -0.285 12.970 7.805 17 HD11 LEU 2 1HD1 LEU 2 -1.974 14.644 8.305 18 HD12 LEU 2 2HD1 LEU 2 -3.095 13.870 7.184 19 HD13 LEU 2 3HD1 LEU 2 -1.611 14.611 6.580 20 HD21 LEU 2 3HD2 LEU 2 -1.827 12.568 9.656 21 HD22 LEU 2 1HD2 LEU 2 -1.316 11.054 8.911 22 HD23 LEU 2 2HD2 LEU 2 -2.918 11.709 8.570 23 H LEU 3 H LEU 3 1.387 10.700 4.361 24 HA LEU 3 HA LEU 3 -0.304 9.399 2.327 25 HB2 LEU 3 3HB LEU 3 1.600 9.529 0.728 26 HB3 LEU 3 2HB LEU 3 2.477 10.511 1.888 27 HG LEU 3 HG LEU 3 0.551 12.185 1.721 28 HD11 LEU 3 1HD1 LEU 3 2.714 12.575 0.655 29 HD12 LEU 3 2HD1 LEU 3 1.391 13.179 -0.342 30 HD13 LEU 3 3HD1 LEU 3 2.188 11.661 -0.762 31 HD21 LEU 3 3HD2 LEU 3 -0.112 10.504 -0.692 32 HD22 LEU 3 1HD2 LEU 3 -0.812 12.077 -0.303 33 HD23 LEU 3 2HD2 LEU 3 -1.103 10.697 0.755 34 H TYR 4 H TYR 4 -0.309 7.277 2.789 35 HA TYR 4 HA TYR 4 2.124 6.071 3.974 36 HB2 TYR 4 3HB TYR 4 0.565 4.491 5.156 37 HB3 TYR 4 2HB TYR 4 -0.782 5.467 4.578 38 HD1 TYR 4 HD1 TYR 4 -1.056 7.809 5.400 39 HD2 TYR 4 HD2 TYR 4 1.898 5.202 7.017 40 HE1 TYR 4 HE1 TYR 4 -0.816 9.290 7.347 41 HE2 TYR 4 HE2 TYR 4 2.137 6.679 8.968 42 HH TYR 4 HH TYR 4 1.754 9.067 9.523 43 H VAL 5 H VAL 5 2.500 3.810 3.537 44 HA VAL 5 HA VAL 5 1.293 2.884 1.001 45 HB VAL 5 HB VAL 5 4.191 2.606 1.840 46 HG11 VAL 5 1HG1 VAL 5 4.542 1.638 -0.391 47 HG12 VAL 5 2HG1 VAL 5 2.806 1.716 -0.696 48 HG13 VAL 5 3HG1 VAL 5 3.431 0.662 0.572 49 HG21 VAL 5 3HG2 VAL 5 3.653 4.887 1.138 50 HG22 VAL 5 1HG2 VAL 5 2.948 4.274 -0.360 51 HG23 VAL 5 2HG2 VAL 5 4.676 4.092 -0.058 52 H LEU 6 H LEU 6 0.435 0.905 1.050 53 HA LEU 6 HA LEU 6 1.260 -1.009 3.149 54 HB2 LEU 6 3HB LEU 6 -0.982 -2.056 2.808 55 HB3 LEU 6 2HB LEU 6 -1.385 -0.758 1.698 56 HG LEU 6 HG LEU 6 -1.179 0.872 3.540 57 HD11 LEU 6 1HD1 LEU 6 -3.200 0.228 4.752 58 HD12 LEU 6 2HD1 LEU 6 -3.043 -1.426 4.157 59 HD13 LEU 6 3HD1 LEU 6 -3.363 -0.108 3.028 60 HD21 LEU 6 3HD2 LEU 6 -0.984 0.068 5.854 61 HD22 LEU 6 1HD2 LEU 6 0.460 -0.295 4.908 62 HD23 LEU 6 2HD2 LEU 6 -0.709 -1.570 5.257 63 H ILE 7 H ILE 7 2.256 -2.839 2.452 64 HA ILE 7 HA ILE 7 2.033 -3.495 -0.423 65 HB ILE 7 HB ILE 7 4.271 -2.727 0.119 66 HG12 ILE 7 3HG1 ILE 7 4.021 -4.491 -1.583 67 HG13 ILE 7 2HG1 ILE 7 4.180 -5.727 -0.340 68 HG21 ILE 7 1HG2 ILE 7 4.299 -3.271 2.505 69 HG22 ILE 7 2HG2 ILE 7 5.720 -3.921 1.686 70 HG23 ILE 7 3HG2 ILE 7 4.385 -4.991 2.117 71 HD11 ILE 7 3HD1 ILE 7 6.306 -3.750 -1.128 72 HD12 ILE 7 1HD1 ILE 7 6.240 -5.450 -1.589 73 HD13 ILE 7 2HD1 ILE 7 6.461 -5.006 0.102 74 H ILE 8 H ILE 8 1.168 -5.376 -0.937 75 HA ILE 8 HA ILE 8 1.118 -7.565 1.055 76 HB ILE 8 HB ILE 8 -0.802 -7.115 -1.251 77 HG12 ILE 8 3HG1 ILE 8 -1.000 -5.400 0.573 78 HG13 ILE 8 2HG1 ILE 8 -1.309 -6.704 1.714 79 HG21 ILE 8 1HG2 ILE 8 -2.139 -8.879 -0.181 80 HG22 ILE 8 2HG2 ILE 8 -0.875 -9.096 1.031 81 HG23 ILE 8 3HG2 ILE 8 -0.547 -9.466 -0.663 82 HD11 ILE 8 3HD1 ILE 8 -3.016 -5.934 -0.638 83 HD12 ILE 8 1HD1 ILE 8 -3.377 -5.680 1.068 84 HD13 ILE 8 2HD1 ILE 8 -3.315 -7.318 0.416 85 H SER 9 H SER 9 2.778 -8.901 0.526 86 HA SER 9 HA SER 9 2.805 -10.189 -2.056 87 HB2 SER 9 3HB SER 9 5.161 -8.450 -1.258 88 HB3 SER 9 2HB SER 9 4.093 -8.199 -2.638 89 HG SER 9 HG SER 9 6.111 -9.253 -3.153 90 H ASN 10 H ASN 10 4.011 -12.088 -2.115 91 HA ASN 10 HA ASN 10 4.982 -13.071 0.474 92 HB2 ASN 10 3HB ASN 10 4.986 -15.290 -0.613 93 HB3 ASN 10 2HB ASN 10 4.514 -14.543 -2.136 94 HD21 ASN 10 2HD2 ASN 10 1.265 -15.415 -1.216 95 HD22 ASN 10 1HD2 ASN 10 2.611 -15.733 -2.250 96 H ASP 11 H ASP 11 6.238 -11.530 -2.183 97 HA ASP 11 HA ASP 11 8.776 -12.992 -2.229 98 HB2 ASP 11 3HB ASP 11 7.902 -10.622 -3.909 99 HB3 ASP 11 2HB ASP 11 7.714 -12.313 -4.375 100 H LYS 12 H LYS 12 10.397 -12.415 -0.931 101 HA LYS 12 HA LYS 12 10.253 -10.188 0.806 102 HB2 LYS 12 3HB LYS 12 12.604 -10.827 1.427 103 HB3 LYS 12 2HB LYS 12 12.559 -12.026 0.141 104 HG2 LYS 12 3HG LYS 12 12.117 -13.059 2.288 105 HG3 LYS 12 2HG LYS 12 10.691 -13.154 1.250 106 HD2 LYS 12 3HD LYS 12 9.654 -11.303 2.427 107 HD3 LYS 12 2HD LYS 12 11.105 -11.069 3.404 108 HE2 LYS 12 3HE LYS 12 10.806 -13.287 4.396 109 HE3 LYS 12 2HE LYS 12 9.359 -13.531 3.418 110 HZ1 LYS 12 3HZ LYS 12 8.296 -11.709 4.546 111 HZ2 LYS 12 1HZ LYS 12 9.695 -11.387 5.443 112 HZ3 LYS 12 2HZ LYS 12 8.844 -12.831 5.681 113 H LYS 13 H LYS 13 12.054 -10.667 -2.219 114 HA LYS 13 HA LYS 13 13.655 -8.350 -2.003 115 HB2 LYS 13 3HB LYS 13 13.748 -8.579 -4.591 116 HB3 LYS 13 2HB LYS 13 12.821 -10.053 -4.339 117 HG2 LYS 13 3HG LYS 13 15.234 -10.479 -4.517 118 HG3 LYS 13 2HG LYS 13 14.590 -10.962 -2.943 119 HD2 LYS 13 3HD LYS 13 15.389 -8.834 -1.981 120 HD3 LYS 13 2HD LYS 13 16.063 -8.389 -3.548 121 HE2 LYS 13 3HE LYS 13 17.647 -10.176 -3.461 122 HE3 LYS 13 2HE LYS 13 16.877 -10.857 -2.026 123 HZ1 LYS 13 3HZ LYS 13 17.485 -8.863 -0.804 124 HZ2 LYS 13 1HZ LYS 13 18.249 -8.232 -2.173 125 HZ3 LYS 13 2HZ LYS 13 18.856 -9.624 -1.439 126 H LEU 14 H LEU 14 10.576 -8.863 -3.719 127 HA LEU 14 HA LEU 14 10.174 -6.273 -4.653 128 HB2 LEU 14 3HB LEU 14 7.993 -8.069 -3.574 129 HB3 LEU 14 2HB LEU 14 8.811 -8.387 -5.087 130 HG LEU 14 HG LEU 14 8.018 -5.988 -5.749 131 HD11 LEU 14 1HD1 LEU 14 7.250 -8.032 -6.820 132 HD12 LEU 14 2HD1 LEU 14 5.912 -6.906 -6.602 133 HD13 LEU 14 3HD1 LEU 14 6.080 -8.293 -5.526 134 HD21 LEU 14 3HD2 LEU 14 5.910 -5.311 -4.720 135 HD22 LEU 14 1HD2 LEU 14 7.211 -5.324 -3.530 136 HD23 LEU 14 2HD2 LEU 14 6.034 -6.637 -3.563 137 H ILE 15 H ILE 15 9.598 -7.641 -1.448 138 HA ILE 15 HA ILE 15 8.403 -5.340 -0.287 139 HB ILE 15 HB ILE 15 9.936 -7.597 1.029 140 HG12 ILE 15 3HG1 ILE 15 7.912 -8.314 -0.193 141 HG13 ILE 15 2HG1 ILE 15 6.952 -7.137 0.694 142 HG21 ILE 15 1HG2 ILE 15 8.118 -5.546 2.306 143 HG22 ILE 15 2HG2 ILE 15 9.874 -5.596 2.457 144 HG23 ILE 15 3HG2 ILE 15 8.896 -6.903 3.123 145 HD11 ILE 15 3HD1 ILE 15 6.660 -9.384 1.573 146 HD12 ILE 15 1HD1 ILE 15 7.396 -8.323 2.773 147 HD13 ILE 15 2HD1 ILE 15 8.390 -9.490 1.900 148 H GLU 16 H GLU 16 11.805 -6.495 -0.280 149 HA GLU 16 HA GLU 16 12.860 -4.462 1.333 150 HB2 GLU 16 3HB GLU 16 15.060 -4.997 0.329 151 HB3 GLU 16 2HB GLU 16 14.256 -5.956 -0.905 152 HG2 GLU 16 3HG GLU 16 13.578 -7.592 0.665 153 HG3 GLU 16 2HG GLU 16 13.985 -6.555 2.031 154 H GLU 17 H GLU 17 12.782 -4.625 -2.237 155 HA GLU 17 HA GLU 17 13.942 -2.130 -2.739 156 HB2 GLU 17 3HB GLU 17 13.003 -2.330 -4.988 157 HB3 GLU 17 2HB GLU 17 11.896 -3.579 -4.434 158 HG2 GLU 17 3HG GLU 17 13.801 -4.505 -5.657 159 HG3 GLU 17 2HG GLU 17 13.747 -5.075 -3.990 160 H ALA 18 H ALA 18 10.551 -2.989 -2.195 161 HA ALA 18 HA ALA 18 9.428 -0.459 -2.759 162 HB1 ALA 18 3HB ALA 18 8.084 -2.499 -2.588 163 HB2 ALA 18 1HB ALA 18 7.478 -1.241 -1.509 164 HB3 ALA 18 2HB ALA 18 8.422 -2.583 -0.859 165 H ARG 19 H ARG 19 10.531 -1.900 0.313 166 HA ARG 19 HA ARG 19 9.912 0.270 1.985 167 HB2 ARG 19 3HB ARG 19 11.595 -0.695 3.545 168 HB3 ARG 19 2HB ARG 19 12.122 -1.786 2.268 169 HG2 ARG 19 3HG ARG 19 9.924 -2.828 2.221 170 HG3 ARG 19 2HG ARG 19 9.345 -1.702 3.448 171 HD2 ARG 19 3HD ARG 19 9.886 -3.850 4.446 172 HD3 ARG 19 2HD ARG 19 10.966 -2.593 5.047 173 HE ARG 19 HE ARG 19 12.336 -3.691 2.973 174 HH11 ARG 19 1HH1 ARG 19 10.867 -4.960 5.814 175 HH12 ARG 19 2HH1 ARG 19 11.998 -6.260 5.959 176 HH21 ARG 19 2HH2 ARG 19 13.647 -6.472 4.493 177 HH22 ARG 19 1HH2 ARG 19 13.809 -5.354 3.185 178 H LYS 20 H LYS 20 12.828 -0.411 0.075 179 HA LYS 20 HA LYS 20 14.466 1.674 0.909 180 HB2 LYS 20 3HB LYS 20 15.423 1.599 -1.417 181 HB3 LYS 20 2HB LYS 20 14.123 0.499 -1.859 182 HG2 LYS 20 3HG LYS 20 14.931 -1.101 -0.163 183 HG3 LYS 20 2HG LYS 20 16.266 -0.004 0.199 184 HD2 LYS 20 3HD LYS 20 16.992 -0.181 -2.174 185 HD3 LYS 20 2HD LYS 20 15.715 -1.368 -2.439 186 HE2 LYS 20 3HE LYS 20 17.935 -1.677 -0.418 187 HE3 LYS 20 2HE LYS 20 17.947 -2.379 -2.036 188 HZ1 LYS 20 3HZ LYS 20 16.002 -3.654 -1.498 189 HZ2 LYS 20 1HZ LYS 20 15.895 -2.931 0.032 190 HZ3 LYS 20 2HZ LYS 20 17.197 -3.943 -0.340 191 H MET 21 H MET 21 12.185 1.745 -1.851 192 HA MET 21 HA MET 21 12.474 4.478 -2.419 193 HB2 MET 21 3HB MET 21 10.160 4.188 -3.510 194 HB3 MET 21 2HB MET 21 10.276 2.508 -3.005 195 HG2 MET 21 3HG MET 21 10.982 2.813 -5.318 196 HG3 MET 21 2HG MET 21 12.302 2.229 -4.307 197 HE1 MET 21 3HE MET 21 10.955 5.905 -4.253 198 HE2 MET 21 1HE MET 21 10.723 5.478 -5.951 199 HE3 MET 21 2HE MET 21 11.933 6.680 -5.502 200 H ALA 22 H ALA 22 10.174 2.825 -0.271 201 HA ALA 22 HA ALA 22 8.580 4.994 0.437 202 HB1 ALA 22 3HB ALA 22 9.488 2.727 2.217 203 HB2 ALA 22 1HB ALA 22 8.107 2.691 1.121 204 HB3 ALA 22 2HB ALA 22 8.103 3.780 2.509 205 H GLU 23 H GLU 23 11.689 3.951 1.829 206 HA GLU 23 HA GLU 23 11.904 6.026 3.747 207 HB2 GLU 23 3HB GLU 23 14.293 5.435 3.838 208 HB3 GLU 23 2HB GLU 23 14.117 4.481 2.371 209 HG2 GLU 23 3HG GLU 23 12.566 2.981 3.544 210 HG3 GLU 23 2HG GLU 23 12.783 3.926 5.016 211 H LYS 24 H LYS 24 13.137 5.738 0.411 212 HA LYS 24 HA LYS 24 14.457 8.258 0.378 213 HB2 LYS 24 3HB LYS 24 14.066 7.893 -2.234 214 HB3 LYS 24 2HB LYS 24 13.651 6.273 -1.707 215 HG2 LYS 24 3HG LYS 24 16.260 7.603 -1.003 216 HG3 LYS 24 2HG LYS 24 16.030 6.643 -2.459 217 HD2 LYS 24 3HD LYS 24 16.911 5.055 -1.066 218 HD3 LYS 24 2HD LYS 24 15.193 4.813 -0.768 219 HE2 LYS 24 3HE LYS 24 15.322 6.131 1.267 220 HE3 LYS 24 2HE LYS 24 17.022 6.486 0.955 221 HZ1 LYS 24 3HZ LYS 24 16.842 4.720 2.551 222 HZ2 LYS 24 1HZ LYS 24 17.478 4.092 1.114 223 HZ3 LYS 24 2HZ LYS 24 15.859 3.812 1.521 224 H ALA 25 H ALA 25 11.135 7.404 0.086 225 HA ALA 25 HA ALA 25 10.422 10.030 -1.023 226 HB1 ALA 25 3HB ALA 25 8.654 7.658 -0.416 227 HB2 ALA 25 1HB ALA 25 9.339 8.054 -1.992 228 HB3 ALA 25 2HB ALA 25 8.166 9.138 -1.243 229 H ASN 26 H ASN 26 10.983 8.701 1.962 230 HA ASN 26 HA ASN 26 10.604 9.324 4.103 231 HB2 ASN 26 3HB ASN 26 9.788 11.625 4.559 232 HB3 ASN 26 2HB ASN 26 9.433 11.814 2.844 233 HD21 ASN 26 2HD2 ASN 26 13.242 12.053 4.211 234 HD22 ASN 26 1HD2 ASN 26 11.959 11.475 5.214 235 H LEU 27 H LEU 27 8.559 7.821 2.588 236 HA LEU 27 HA LEU 27 6.114 8.524 4.083 237 HB2 LEU 27 3HB LEU 27 4.922 7.125 2.470 238 HB3 LEU 27 2HB LEU 27 6.438 6.668 1.715 239 HG LEU 27 HG LEU 27 6.773 8.957 0.927 240 HD11 LEU 27 1HD1 LEU 27 4.013 7.915 0.289 241 HD12 LEU 27 2HD1 LEU 27 5.517 7.447 -0.506 242 HD13 LEU 27 3HD1 LEU 27 4.912 9.096 -0.664 243 HD21 LEU 27 3HD2 LEU 27 5.731 10.163 2.773 244 HD22 LEU 27 1HD2 LEU 27 4.142 9.581 2.272 245 HD23 LEU 27 2HD2 LEU 27 5.053 10.673 1.227 246 H GLU 28 H GLU 28 5.007 6.933 5.293 247 HA GLU 28 HA GLU 28 6.694 4.828 6.358 248 HB2 GLU 28 3HB GLU 28 4.777 4.416 7.911 249 HB3 GLU 28 2HB GLU 28 3.888 5.688 7.087 250 HG2 GLU 28 3HG GLU 28 6.542 6.139 8.436 251 HG3 GLU 28 2HG GLU 28 4.993 6.332 9.253 252 H LEU 29 H LEU 29 6.668 2.761 5.768 253 HA LEU 29 HA LEU 29 4.437 1.777 4.100 254 HB2 LEU 29 3HB LEU 29 7.344 0.936 4.138 255 HB3 LEU 29 2HB LEU 29 6.579 1.944 2.928 256 HG LEU 29 HG LEU 29 5.040 -0.178 2.558 257 HD11 LEU 29 1HD1 LEU 29 6.511 0.798 0.873 258 HD12 LEU 29 2HD1 LEU 29 6.593 -0.964 0.837 259 HD13 LEU 29 3HD1 LEU 29 7.895 -0.035 1.583 260 HD21 LEU 29 3HD2 LEU 29 7.551 -1.406 3.718 261 HD22 LEU 29 1HD2 LEU 29 6.273 -2.279 2.871 262 HD23 LEU 29 2HD2 LEU 29 5.931 -1.499 4.414 263 H ARG 30 H ARG 30 3.423 -0.122 4.641 264 HA ARG 30 HA ARG 30 4.422 -1.581 7.010 265 HB2 ARG 30 3HB ARG 30 2.029 -1.995 7.632 266 HB3 ARG 30 2HB ARG 30 1.551 -0.886 6.357 267 HG2 ARG 30 3HG ARG 30 1.459 0.385 8.315 268 HG3 ARG 30 2HG ARG 30 2.970 0.862 7.543 269 HD2 ARG 30 3HD ARG 30 2.705 -1.121 9.810 270 HD3 ARG 30 2HD ARG 30 3.235 0.552 9.967 271 HE ARG 30 HE ARG 30 5.048 -0.336 8.268 272 HH11 ARG 30 1HH1 ARG 30 3.827 -1.807 11.139 273 HH12 ARG 30 2HH1 ARG 30 5.284 -2.690 11.428 274 HH21 ARG 30 2HH2 ARG 30 7.007 -2.519 10.035 275 HH22 ARG 30 1HH2 ARG 30 6.909 -1.491 8.651 276 H THR 31 H THR 31 4.656 -3.712 6.772 277 HA THR 31 HA THR 31 3.981 -4.972 4.254 278 HB THR 31 HB THR 31 5.132 -6.966 5.178 279 HG1 THR 31 HG1 THR 31 4.568 -6.491 7.429 280 HG21 THR 31 3HG2 THR 31 6.437 -5.252 4.007 281 HG22 THR 31 1HG2 THR 31 7.380 -5.981 5.306 282 HG23 THR 31 2HG2 THR 31 6.670 -4.382 5.523 283 H VAL 32 H VAL 32 2.266 -6.231 3.854 284 HA VAL 32 HA VAL 32 0.568 -7.068 6.127 285 HB VAL 32 HB VAL 32 -0.293 -6.328 3.320 286 HG11 VAL 32 1HG1 VAL 32 -1.708 -8.074 4.265 287 HG12 VAL 32 2HG1 VAL 32 -2.581 -6.545 4.174 288 HG13 VAL 32 3HG1 VAL 32 -1.952 -7.110 5.722 289 HG21 VAL 32 3HG2 VAL 32 -1.361 -4.386 4.379 290 HG22 VAL 32 1HG2 VAL 32 0.386 -4.372 4.616 291 HG23 VAL 32 2HG2 VAL 32 -0.679 -4.858 5.935 292 H LYS 33 H LYS 33 0.189 -9.201 6.345 293 HA LYS 33 HA LYS 33 0.957 -11.003 4.147 294 HB2 LYS 33 3HB LYS 33 1.077 -12.752 5.809 295 HB3 LYS 33 2HB LYS 33 0.333 -11.715 7.019 296 HG2 LYS 33 3HG LYS 33 2.297 -10.228 6.927 297 HG3 LYS 33 2HG LYS 33 3.051 -11.325 5.766 298 HD2 LYS 33 3HD LYS 33 3.093 -13.106 7.393 299 HD3 LYS 33 2HD LYS 33 2.176 -12.132 8.544 300 HE2 LYS 33 3HE LYS 33 4.030 -10.538 8.684 301 HE3 LYS 33 2HE LYS 33 4.949 -11.499 7.525 302 HZ1 LYS 33 3HZ LYS 33 4.002 -12.526 10.142 303 HZ2 LYS 33 1HZ LYS 33 5.553 -11.906 9.872 304 HZ3 LYS 33 2HZ LYS 33 5.044 -13.299 9.061 305 H THR 34 H THR 34 -1.751 -10.489 6.436 306 HA THR 34 HA THR 34 -3.482 -12.078 4.629 307 HB THR 34 HB THR 34 -4.868 -12.683 6.521 308 HG1 THR 34 HG1 THR 34 -3.064 -11.499 8.341 309 HG21 THR 34 3HG2 THR 34 -1.940 -13.123 7.154 310 HG22 THR 34 1HG2 THR 34 -2.928 -14.115 6.082 311 HG23 THR 34 2HG2 THR 34 -3.286 -14.059 7.809 312 H GLU 35 H GLU 35 -5.827 -11.527 4.745 313 HA GLU 35 HA GLU 35 -6.377 -8.879 4.043 314 HB2 GLU 35 3HB GLU 35 -8.195 -11.095 5.002 315 HB3 GLU 35 2HB GLU 35 -7.822 -10.666 3.338 316 HG2 GLU 35 3HG GLU 35 -9.025 -8.576 3.567 317 HG3 GLU 35 2HG GLU 35 -9.330 -8.905 5.271 318 H ASP 36 H ASP 36 -7.142 -10.552 7.093 319 HA ASP 36 HA ASP 36 -8.343 -8.500 8.505 320 HB2 ASP 36 3HB ASP 36 -6.500 -10.690 9.523 321 HB3 ASP 36 2HB ASP 36 -8.244 -10.807 9.303 322 H GLU 37 H GLU 37 -4.879 -9.101 8.023 323 HA GLU 37 HA GLU 37 -3.920 -7.056 9.739 324 HB2 GLU 37 3HB GLU 37 -1.827 -7.233 8.338 325 HB3 GLU 37 2HB GLU 37 -2.684 -8.379 7.317 326 HG2 GLU 37 3HG GLU 37 -3.043 -9.791 9.361 327 HG3 GLU 37 2HG GLU 37 -1.969 -8.693 10.226 328 H LEU 38 H LEU 38 -4.341 -7.082 6.177 329 HA LEU 38 HA LEU 38 -3.694 -4.451 5.603 330 HB2 LEU 38 3HB LEU 38 -6.024 -5.890 4.320 331 HB3 LEU 38 2HB LEU 38 -4.370 -6.384 4.036 332 HG LEU 38 HG LEU 38 -5.028 -5.067 2.169 333 HD11 LEU 38 1HD1 LEU 38 -6.950 -3.932 3.140 334 HD12 LEU 38 2HD1 LEU 38 -5.881 -2.797 2.319 335 HD13 LEU 38 3HD1 LEU 38 -5.876 -2.895 4.081 336 HD21 LEU 38 3HD2 LEU 38 -3.455 -3.190 2.237 337 HD22 LEU 38 1HD2 LEU 38 -2.758 -4.650 2.936 338 HD23 LEU 38 2HD2 LEU 38 -3.329 -3.355 3.990 339 H LYS 39 H LYS 39 -6.832 -5.773 6.537 340 HA LYS 39 HA LYS 39 -8.370 -3.467 6.733 341 HB2 LYS 39 3HB LYS 39 -8.397 -5.989 8.406 342 HB3 LYS 39 2HB LYS 39 -9.254 -5.735 6.895 343 HG2 LYS 39 3HG LYS 39 -10.695 -4.097 7.930 344 HG3 LYS 39 2HG LYS 39 -9.788 -4.220 9.444 345 HD2 LYS 39 3HD LYS 39 -10.452 -6.525 9.712 346 HD3 LYS 39 2HD LYS 39 -11.229 -6.526 8.129 347 HE2 LYS 39 3HE LYS 39 -12.881 -6.334 9.887 348 HE3 LYS 39 2HE LYS 39 -12.834 -4.870 8.913 349 HZ1 LYS 39 3HZ LYS 39 -11.712 -5.258 11.629 350 HZ2 LYS 39 1HZ LYS 39 -12.973 -4.225 11.174 351 HZ3 LYS 39 2HZ LYS 39 -11.387 -3.896 10.681 352 H LYS 40 H LYS 40 -6.318 -4.994 9.209 353 HA LYS 40 HA LYS 40 -6.912 -3.307 11.358 354 HB2 LYS 40 3HB LYS 40 -4.340 -4.781 10.752 355 HB3 LYS 40 2HB LYS 40 -5.731 -5.436 11.604 356 HG2 LYS 40 3HG LYS 40 -5.381 -3.882 13.439 357 HG3 LYS 40 2HG LYS 40 -4.035 -3.133 12.572 358 HD2 LYS 40 3HD LYS 40 -2.798 -5.247 12.643 359 HD3 LYS 40 2HD LYS 40 -4.147 -6.017 13.479 360 HE2 LYS 40 3HE LYS 40 -3.857 -4.511 15.377 361 HE3 LYS 40 2HE LYS 40 -2.536 -3.694 14.541 362 HZ1 LYS 40 3HZ LYS 40 -1.762 -5.332 16.168 363 HZ2 LYS 40 1HZ LYS 40 -1.259 -5.713 14.597 364 HZ3 LYS 40 2HZ LYS 40 -2.539 -6.562 15.309 365 H TYR 41 H TYR 41 -4.256 -3.059 8.987 366 HA TYR 41 HA TYR 41 -3.103 -0.712 10.061 367 HB2 TYR 41 3HB TYR 41 -1.978 -0.495 7.854 368 HB3 TYR 41 2HB TYR 41 -2.999 -1.788 7.231 369 HD1 TYR 41 HD1 TYR 41 -0.590 -1.107 10.018 370 HD2 TYR 41 HD2 TYR 41 -2.199 -3.974 7.311 371 HE1 TYR 41 HE1 TYR 41 1.039 -2.770 10.812 372 HE2 TYR 41 HE2 TYR 41 -0.577 -5.640 8.105 373 HH TYR 41 HH TYR 41 1.551 -5.763 9.211 374 H LEU 42 H LEU 42 -5.577 -1.182 7.555 375 HA LEU 42 HA LEU 42 -5.898 1.502 6.815 376 HB2 LEU 42 3HB LEU 42 -8.285 0.787 6.263 377 HB3 LEU 42 2HB LEU 42 -7.843 -0.796 6.869 378 HG LEU 42 HG LEU 42 -6.163 -1.038 5.118 379 HD11 LEU 42 1HD1 LEU 42 -8.827 -0.135 4.021 380 HD12 LEU 42 2HD1 LEU 42 -8.441 -1.748 4.621 381 HD13 LEU 42 3HD1 LEU 42 -7.645 -1.133 3.173 382 HD21 LEU 42 3HD2 LEU 42 -5.928 0.641 3.343 383 HD22 LEU 42 1HD2 LEU 42 -5.464 1.290 4.915 384 HD23 LEU 42 2HD2 LEU 42 -7.026 1.715 4.212 385 H GLU 43 H GLU 43 -7.512 -0.346 9.406 386 HA GLU 43 HA GLU 43 -9.186 1.724 10.307 387 HB2 GLU 43 3HB GLU 43 -9.267 0.434 12.460 388 HB3 GLU 43 2HB GLU 43 -8.034 -0.638 11.802 389 HG2 GLU 43 3HG GLU 43 -9.532 -1.274 9.988 390 HG3 GLU 43 2HG GLU 43 -10.760 -0.166 10.595 391 H GLU 44 H GLU 44 -5.813 1.004 11.047 392 HA GLU 44 HA GLU 44 -5.444 2.948 13.073 393 HB2 GLU 44 3HB GLU 44 -3.465 1.946 11.002 394 HB3 GLU 44 2HB GLU 44 -3.760 1.219 12.576 395 HG2 GLU 44 3HG GLU 44 -2.897 3.196 13.689 396 HG3 GLU 44 2HG GLU 44 -2.681 4.003 12.137 397 H PHE 45 H PHE 45 -5.208 3.122 9.539 398 HA PHE 45 HA PHE 45 -4.404 5.850 9.420 399 HB2 PHE 45 3HB PHE 45 -4.941 5.687 7.016 400 HB3 PHE 45 2HB PHE 45 -5.731 4.140 7.301 401 HD1 PHE 45 HD1 PHE 45 -4.400 2.701 6.003 402 HD2 PHE 45 HD2 PHE 45 -2.553 5.320 8.811 403 HE1 PHE 45 HE1 PHE 45 -2.257 1.539 5.683 404 HE2 PHE 45 HE2 PHE 45 -0.411 4.164 8.484 405 HZ PHE 45 HZ PHE 45 -0.259 2.271 6.920 406 H ARG 46 H ARG 46 -7.484 4.360 9.899 407 HA ARG 46 HA ARG 46 -9.129 6.479 8.949 408 HB2 ARG 46 3HB ARG 46 -10.918 5.434 10.319 409 HB3 ARG 46 2HB ARG 46 -9.718 4.367 11.039 410 HG2 ARG 46 3HG ARG 46 -9.262 3.380 8.857 411 HG3 ARG 46 2HG ARG 46 -10.428 4.470 8.108 412 HD2 ARG 46 3HD ARG 46 -11.076 2.420 10.229 413 HD3 ARG 46 2HD ARG 46 -11.345 2.211 8.500 414 HE ARG 46 HE ARG 46 -12.631 4.560 9.388 415 HH11 ARG 46 1HH1 ARG 46 -12.925 1.121 9.576 416 HH12 ARG 46 2HH1 ARG 46 -14.644 1.180 9.752 417 HH21 ARG 46 2HH2 ARG 46 -15.695 3.127 9.800 418 HH22 ARG 46 1HH2 ARG 46 -14.814 4.607 9.612 419 H LYS 47 H LYS 47 -7.088 6.290 11.656 420 HA LYS 47 HA LYS 47 -8.370 7.955 13.516 421 HB2 LYS 47 3HB LYS 47 -5.982 8.576 14.184 422 HB3 LYS 47 2HB LYS 47 -5.446 7.545 12.864 423 HG2 LYS 47 3HG LYS 47 -6.694 5.657 13.937 424 HG3 LYS 47 2HG LYS 47 -6.995 6.720 15.314 425 HD2 LYS 47 3HD LYS 47 -4.303 5.806 14.286 426 HD3 LYS 47 2HD LYS 47 -5.081 5.317 15.789 427 HE2 LYS 47 3HE LYS 47 -4.128 8.102 15.110 428 HE3 LYS 47 2HE LYS 47 -3.338 6.973 16.209 429 HZ1 LYS 47 3HZ LYS 47 -5.999 8.229 16.571 430 HZ2 LYS 47 1HZ LYS 47 -4.603 8.532 17.471 431 HZ3 LYS 47 2HZ LYS 47 -5.368 7.031 17.581 432 H GLU 48 H GLU 48 -5.717 9.061 11.389 433 HA GLU 48 HA GLU 48 -6.817 11.751 11.371 434 HB2 GLU 48 3HB GLU 48 -4.716 12.111 9.860 435 HB3 GLU 48 2HB GLU 48 -4.256 10.506 10.409 436 HG2 GLU 48 3HG GLU 48 -4.704 12.953 12.108 437 HG3 GLU 48 2HG GLU 48 -3.172 12.152 11.768 438 H SER 49 H SER 49 -8.703 10.397 10.213 439 HA SER 49 HA SER 49 -8.373 10.020 7.374 440 HB2 SER 49 3HB SER 49 -9.931 8.588 8.518 441 HB3 SER 49 2HB SER 49 -10.865 9.619 7.436 442 HG SER 49 HG SER 49 -10.943 9.424 10.157 443 H GLN 50 H GLN 50 -7.555 12.530 7.743 444 HA GLN 50 HA GLN 50 -9.747 14.234 6.721 445 HB2 GLN 50 3HB GLN 50 -8.664 16.154 7.762 446 HB3 GLN 50 2HB GLN 50 -7.322 15.151 8.297 447 HG2 GLN 50 3HG GLN 50 -8.662 15.528 10.195 448 HG3 GLN 50 2HG GLN 50 -8.973 13.865 9.698 449 HE21 GLN 50 2HE2 GLN 50 -12.355 14.396 8.984 450 HE22 GLN 50 1HE2 GLN 50 -10.997 13.344 8.822 451 H ASN 51 H ASN 51 -6.191 14.238 6.874 452 HA ASN 51 HA ASN 51 -6.073 15.125 4.051 453 HB2 ASN 51 3HB ASN 51 -3.958 16.206 4.621 454 HB3 ASN 51 2HB ASN 51 -4.011 15.526 6.243 455 HD21 ASN 51 2HD2 ASN 51 -5.306 18.555 7.289 456 HD22 ASN 51 1HD2 ASN 51 -4.006 17.420 7.337 457 H ILE 52 H ILE 52 -6.271 12.337 4.694 458 HA ILE 52 HA ILE 52 -3.504 11.375 4.360 459 HB ILE 52 HB ILE 52 -4.572 10.708 6.479 460 HG12 ILE 52 3HG1 ILE 52 -2.838 9.290 5.387 461 HG13 ILE 52 2HG1 ILE 52 -4.118 8.361 4.611 462 HG21 ILE 52 1HG2 ILE 52 -6.505 9.158 4.749 463 HG22 ILE 52 2HG2 ILE 52 -6.891 10.598 5.689 464 HG23 ILE 52 3HG2 ILE 52 -6.414 9.113 6.511 465 HD11 ILE 52 3HD1 ILE 52 -3.223 7.230 6.575 466 HD12 ILE 52 1HD1 ILE 52 -4.929 7.630 6.778 467 HD13 ILE 52 2HD1 ILE 52 -3.693 8.601 7.580 468 H LYS 53 H LYS 53 -2.966 10.100 2.700 469 HA LYS 53 HA LYS 53 -5.061 8.758 1.114 470 HB2 LYS 53 3HB LYS 53 -3.918 9.282 -0.956 471 HB3 LYS 53 2HB LYS 53 -2.587 10.031 -0.091 472 HG2 LYS 53 3HG LYS 53 -4.101 11.813 0.672 473 HG3 LYS 53 2HG LYS 53 -5.409 11.080 -0.261 474 HD2 LYS 53 3HD LYS 53 -2.804 12.103 -1.411 475 HD3 LYS 53 2HD LYS 53 -4.338 12.973 -1.443 476 HE2 LYS 53 3HE LYS 53 -3.843 10.287 -2.733 477 HE3 LYS 53 2HE LYS 53 -3.840 11.834 -3.576 478 HZ1 LYS 53 3HZ LYS 53 -6.149 10.579 -2.195 479 HZ2 LYS 53 1HZ LYS 53 -5.956 10.797 -3.860 480 HZ3 LYS 53 2HZ LYS 53 -6.164 12.137 -2.854 481 H VAL 54 H VAL 54 -4.548 6.618 0.575 482 HA VAL 54 HA VAL 54 -1.874 5.685 1.446 483 HB VAL 54 HB VAL 54 -4.458 4.122 1.631 484 HG11 VAL 54 1HG1 VAL 54 -2.520 2.687 1.250 485 HG12 VAL 54 2HG1 VAL 54 -3.135 2.487 2.891 486 HG13 VAL 54 3HG1 VAL 54 -1.680 3.443 2.606 487 HG21 VAL 54 3HG2 VAL 54 -4.423 5.940 3.257 488 HG22 VAL 54 1HG2 VAL 54 -2.829 5.425 3.820 489 HG23 VAL 54 2HG2 VAL 54 -4.232 4.383 4.064 490 H LEU 55 H LEU 55 -0.703 4.482 0.084 491 HA LEU 55 HA LEU 55 -1.892 3.601 -2.467 492 HB2 LEU 55 3HB LEU 55 1.009 3.904 -1.648 493 HB3 LEU 55 2HB LEU 55 0.093 5.064 -2.596 494 HG LEU 55 HG LEU 55 0.603 2.231 -3.516 495 HD11 LEU 55 1HD1 LEU 55 0.050 3.113 -5.721 496 HD12 LEU 55 2HD1 LEU 55 -0.246 4.706 -5.020 497 HD13 LEU 55 3HD1 LEU 55 -1.282 3.343 -4.589 498 HD21 LEU 55 3HD2 LEU 55 2.748 3.346 -3.205 499 HD22 LEU 55 1HD2 LEU 55 2.190 4.712 -4.173 500 HD23 LEU 55 2HD2 LEU 55 2.391 3.126 -4.918 501 H ILE 56 H ILE 56 -2.267 1.454 -2.774 502 HA ILE 56 HA ILE 56 -0.956 -0.455 -0.926 503 HB ILE 56 HB ILE 56 -3.651 -0.764 -2.276 504 HG12 ILE 56 3HG1 ILE 56 -3.680 0.949 -0.496 505 HG13 ILE 56 2HG1 ILE 56 -2.974 -0.204 0.631 506 HG21 ILE 56 1HG2 ILE 56 -2.257 -2.515 -0.243 507 HG22 ILE 56 2HG2 ILE 56 -2.529 -2.905 -1.941 508 HG23 ILE 56 3HG2 ILE 56 -3.900 -2.748 -0.843 509 HD11 ILE 56 3HD1 ILE 56 -5.352 0.026 1.003 510 HD12 ILE 56 1HD1 ILE 56 -4.969 -1.603 0.450 511 HD13 ILE 56 2HD1 ILE 56 -5.679 -0.437 -0.667 512 H LEU 57 H LEU 57 0.462 -1.777 -1.847 513 HA LEU 57 HA LEU 57 0.331 -2.264 -4.751 514 HB2 LEU 57 3HB LEU 57 2.722 -2.999 -4.491 515 HB3 LEU 57 2HB LEU 57 2.644 -2.501 -2.812 516 HG LEU 57 HG LEU 57 3.779 -0.874 -4.333 517 HD11 LEU 57 1HD1 LEU 57 2.417 -1.157 -6.314 518 HD12 LEU 57 2HD1 LEU 57 2.409 0.529 -5.800 519 HD13 LEU 57 3HD1 LEU 57 1.012 -0.499 -5.473 520 HD21 LEU 57 3HD2 LEU 57 2.833 -0.146 -2.196 521 HD22 LEU 57 1HD2 LEU 57 1.292 0.182 -2.989 522 HD23 LEU 57 2HD2 LEU 57 2.724 1.117 -3.423 523 H VAL 58 H VAL 58 -0.451 -4.178 -5.361 524 HA VAL 58 HA VAL 58 -0.193 -6.480 -3.516 525 HB VAL 58 HB VAL 58 -2.303 -7.342 -4.492 526 HG11 VAL 58 1HG1 VAL 58 -3.810 -5.768 -3.343 527 HG12 VAL 58 2HG1 VAL 58 -2.503 -4.586 -3.264 528 HG13 VAL 58 3HG1 VAL 58 -2.367 -6.112 -2.389 529 HG21 VAL 58 3HG2 VAL 58 -2.423 -4.649 -5.856 530 HG22 VAL 58 1HG2 VAL 58 -3.728 -5.833 -5.807 531 HG23 VAL 58 2HG2 VAL 58 -2.228 -6.212 -6.649 532 H SER 59 H SER 59 0.597 -8.380 -4.293 533 HA SER 59 HA SER 59 1.902 -8.368 -6.848 534 HB2 SER 59 3HB SER 59 2.707 -10.622 -6.213 535 HB3 SER 59 2HB SER 59 1.643 -10.587 -4.805 536 HG SER 59 HG SER 59 3.974 -9.883 -4.603 537 H ASN 60 H ASN 60 -1.067 -9.874 -5.646 538 HA ASN 60 HA ASN 60 -1.405 -11.158 -8.296 539 HB2 ASN 60 3HB ASN 60 -2.825 -12.829 -7.280 540 HB3 ASN 60 2HB ASN 60 -2.760 -12.017 -5.727 541 HD21 ASN 60 2HD2 ASN 60 -0.318 -14.314 -4.873 542 HD22 ASN 60 1HD2 ASN 60 -1.926 -13.732 -4.631 543 H ASP 61 H ASP 61 -3.547 -11.235 -9.187 544 HA ASP 61 HA ASP 61 -4.873 -8.734 -9.077 545 HB2 ASP 61 3HB ASP 61 -6.004 -11.260 -10.289 546 HB3 ASP 61 2HB ASP 61 -4.677 -10.378 -11.037 547 H GLU 62 H GLU 62 -5.551 -11.861 -7.605 548 HA GLU 62 HA GLU 62 -8.144 -11.350 -6.619 549 HB2 GLU 62 3HB GLU 62 -6.275 -12.997 -4.967 550 HB3 GLU 62 2HB GLU 62 -6.515 -13.511 -6.628 551 HG2 GLU 62 3HG GLU 62 -8.022 -14.729 -5.246 552 HG3 GLU 62 2HG GLU 62 -8.954 -13.596 -6.218 553 H GLU 63 H GLU 63 -4.932 -10.721 -5.188 554 HA GLU 63 HA GLU 63 -5.883 -9.688 -2.722 555 HB2 GLU 63 3HB GLU 63 -3.704 -9.082 -2.232 556 HB3 GLU 63 2HB GLU 63 -3.356 -8.587 -3.876 557 HG2 GLU 63 3HG GLU 63 -2.070 -10.546 -3.161 558 HG3 GLU 63 2HG GLU 63 -3.064 -10.829 -4.580 559 H LEU 64 H LEU 64 -5.235 -8.228 -5.859 560 HA LEU 64 HA LEU 64 -5.504 -5.523 -5.332 561 HB2 LEU 64 3HB LEU 64 -6.535 -7.097 -7.703 562 HB3 LEU 64 2HB LEU 64 -4.916 -6.451 -7.524 563 HG LEU 64 HG LEU 64 -7.427 -4.772 -7.734 564 HD11 LEU 64 1HD1 LEU 64 -5.654 -3.680 -6.481 565 HD12 LEU 64 2HD1 LEU 64 -5.883 -2.908 -8.048 566 HD13 LEU 64 3HD1 LEU 64 -4.514 -3.992 -7.789 567 HD21 LEU 64 3HD2 LEU 64 -6.983 -5.962 -9.817 568 HD22 LEU 64 1HD2 LEU 64 -5.320 -5.378 -9.813 569 HD23 LEU 64 2HD2 LEU 64 -6.655 -4.238 -9.996 570 H ASP 65 H ASP 65 -8.083 -7.843 -6.126 571 HA ASP 65 HA ASP 65 -10.267 -6.145 -5.710 572 HB2 ASP 65 3HB ASP 65 -11.459 -8.411 -5.213 573 HB3 ASP 65 2HB ASP 65 -9.906 -9.125 -5.614 574 H LYS 66 H LYS 66 -8.841 -8.493 -3.413 575 HA LYS 66 HA LYS 66 -10.589 -8.023 -1.289 576 HB2 LYS 66 3HB LYS 66 -8.755 -8.970 0.148 577 HB3 LYS 66 2HB LYS 66 -7.700 -8.919 -1.262 578 HG2 LYS 66 3HG LYS 66 -8.544 -11.146 -1.045 579 HG3 LYS 66 2HG LYS 66 -9.321 -10.405 -2.447 580 HD2 LYS 66 3HD LYS 66 -11.022 -11.571 -1.244 581 HD3 LYS 66 2HD LYS 66 -11.276 -9.845 -0.955 582 HE2 LYS 66 3HE LYS 66 -10.056 -10.068 1.193 583 HE3 LYS 66 2HE LYS 66 -9.929 -11.803 0.912 584 HZ1 LYS 66 3HZ LYS 66 -12.460 -10.283 1.207 585 HZ2 LYS 66 1HZ LYS 66 -11.764 -11.280 2.383 586 HZ3 LYS 66 2HZ LYS 66 -12.343 -11.947 0.937 587 H ALA 67 H ALA 67 -7.434 -6.474 -1.906 588 HA ALA 67 HA ALA 67 -7.354 -4.943 0.453 589 HB1 ALA 67 3HB ALA 67 -6.037 -4.353 -2.196 590 HB2 ALA 67 1HB ALA 67 -5.386 -5.394 -0.929 591 HB3 ALA 67 2HB ALA 67 -5.589 -3.666 -0.634 592 H LYS 68 H LYS 68 -8.578 -4.111 -2.802 593 HA LYS 68 HA LYS 68 -9.136 -1.392 -2.120 594 HB2 LYS 68 3HB LYS 68 -8.764 -2.253 -4.461 595 HB3 LYS 68 2HB LYS 68 -10.143 -1.183 -4.267 596 HG2 LYS 68 3HG LYS 68 -11.667 -3.053 -4.320 597 HG3 LYS 68 2HG LYS 68 -10.318 -4.191 -4.375 598 HD2 LYS 68 3HD LYS 68 -9.648 -3.374 -6.550 599 HD3 LYS 68 2HD LYS 68 -10.878 -2.108 -6.492 600 HE2 LYS 68 3HE LYS 68 -12.647 -3.747 -6.556 601 HE3 LYS 68 2HE LYS 68 -11.483 -5.065 -6.435 602 HZ1 LYS 68 3HZ LYS 68 -12.277 -4.714 -8.703 603 HZ2 LYS 68 1HZ LYS 68 -10.608 -4.481 -8.584 604 HZ3 LYS 68 2HZ LYS 68 -11.642 -3.151 -8.692 605 H GLU 69 H GLU 69 -11.046 -4.366 -2.041 606 HA GLU 69 HA GLU 69 -13.587 -3.193 -1.695 607 HB2 GLU 69 3HB GLU 69 -14.225 -5.416 -0.691 608 HB3 GLU 69 2HB GLU 69 -12.533 -5.891 -0.795 609 HG2 GLU 69 3HG GLU 69 -13.869 -6.781 -2.642 610 HG3 GLU 69 2HG GLU 69 -12.586 -5.713 -3.204 611 H LEU 70 H LEU 70 -11.150 -4.188 0.706 612 HA LEU 70 HA LEU 70 -12.593 -3.642 3.044 613 HB2 LEU 70 3HB LEU 70 -10.342 -3.288 4.096 614 HB3 LEU 70 2HB LEU 70 -9.633 -3.367 2.493 615 HG LEU 70 HG LEU 70 -10.479 -5.695 2.265 616 HD11 LEU 70 1HD1 LEU 70 -8.777 -5.228 4.715 617 HD12 LEU 70 2HD1 LEU 70 -8.199 -5.260 3.048 618 HD13 LEU 70 3HD1 LEU 70 -8.871 -6.719 3.775 619 HD21 LEU 70 3HD2 LEU 70 -12.390 -5.538 3.788 620 HD22 LEU 70 1HD2 LEU 70 -11.292 -5.358 5.158 621 HD23 LEU 70 2HD2 LEU 70 -11.322 -6.865 4.243 622 H ALA 71 H ALA 71 -10.352 -1.476 1.302 623 HA ALA 71 HA ALA 71 -10.650 0.745 2.983 624 HB1 ALA 71 3HB ALA 71 -9.638 2.038 1.182 625 HB2 ALA 71 1HB ALA 71 -9.928 0.710 0.058 626 HB3 ALA 71 2HB ALA 71 -8.811 0.496 1.405 627 H GLN 72 H GLN 72 -12.361 -0.021 -0.066 628 HA GLN 72 HA GLN 72 -13.888 2.295 -0.295 629 HB2 GLN 72 3HB GLN 72 -15.540 0.861 -1.543 630 HB3 GLN 72 2HB GLN 72 -14.593 -0.543 -1.067 631 HG2 GLN 72 3HG GLN 72 -12.637 0.426 -2.249 632 HG3 GLN 72 2HG GLN 72 -13.671 1.742 -2.803 633 HE21 GLN 72 2HE2 GLN 72 -13.896 -1.943 -4.493 634 HE22 GLN 72 1HE2 GLN 72 -13.019 -1.662 -3.033 635 H LYS 73 H LYS 73 -14.602 -0.656 1.550 636 HA LYS 73 HA LYS 73 -17.193 0.122 2.391 637 HB2 LYS 73 3HB LYS 73 -16.892 -1.656 4.141 638 HB3 LYS 73 2HB LYS 73 -15.230 -1.842 3.589 639 HG2 LYS 73 3HG LYS 73 -16.024 -2.500 1.375 640 HG3 LYS 73 2HG LYS 73 -17.693 -2.274 1.899 641 HD2 LYS 73 3HD LYS 73 -17.163 -4.621 1.971 642 HD3 LYS 73 2HD LYS 73 -17.357 -4.025 3.619 643 HE2 LYS 73 3HE LYS 73 -14.928 -3.894 3.872 644 HE3 LYS 73 2HE LYS 73 -14.715 -4.462 2.217 645 HZ1 LYS 73 3HZ LYS 73 -15.862 -6.525 2.856 646 HZ2 LYS 73 1HZ LYS 73 -15.928 -5.981 4.456 647 HZ3 LYS 73 2HZ LYS 73 -14.435 -6.283 3.725 648 H MET 74 H MET 74 -13.995 0.748 3.728 649 HA MET 74 HA MET 74 -15.185 2.032 6.083 650 HB2 MET 74 3HB MET 74 -12.772 2.233 6.825 651 HB3 MET 74 2HB MET 74 -12.336 1.309 5.392 652 HG2 MET 74 3HG MET 74 -13.659 -0.571 6.160 653 HG3 MET 74 2HG MET 74 -14.214 0.356 7.552 654 HE1 MET 74 3HE MET 74 -10.666 -0.188 5.842 655 HE2 MET 74 1HE MET 74 -11.405 -1.784 5.992 656 HE3 MET 74 2HE MET 74 -9.989 -1.373 6.959 657 H GLU 75 H GLU 75 -14.803 3.050 3.088 658 HA GLU 75 HA GLU 75 -14.920 5.109 2.127 659 HB2 GLU 75 3HB GLU 75 -15.388 7.066 3.517 660 HB3 GLU 75 2HB GLU 75 -14.903 6.183 4.957 661 HG2 GLU 75 3HG GLU 75 -16.778 4.654 4.679 662 HG3 GLU 75 2HG GLU 75 -17.261 5.494 3.206 663 H ILE 76 H ILE 76 -12.259 3.913 2.865 664 HA ILE 76 HA ILE 76 -10.589 6.259 3.372 665 HB ILE 76 HB ILE 76 -9.719 3.392 2.931 666 HG12 ILE 76 3HG1 ILE 76 -11.244 3.601 4.869 667 HG13 ILE 76 2HG1 ILE 76 -10.226 4.876 5.532 668 HG21 ILE 76 1HG2 ILE 76 -8.269 5.756 4.141 669 HG22 ILE 76 2HG2 ILE 76 -7.934 5.020 2.574 670 HG23 ILE 76 3HG2 ILE 76 -7.650 4.105 4.055 671 HD11 ILE 76 3HD1 ILE 76 -9.844 2.732 6.626 672 HD12 ILE 76 1HD1 ILE 76 -8.398 3.308 5.799 673 HD13 ILE 76 2HD1 ILE 76 -9.373 2.026 5.081 674 H ASP 77 H ASP 77 -9.633 7.417 1.812 675 HA ASP 77 HA ASP 77 -9.901 6.719 -0.954 676 HB2 ASP 77 3HB ASP 77 -8.343 8.986 0.326 677 HB3 ASP 77 2HB ASP 77 -10.042 9.054 -0.129 678 H VAL 78 H VAL 78 -8.728 4.851 -1.366 679 HA VAL 78 HA VAL 78 -5.790 5.043 -1.059 680 HB VAL 78 HB VAL 78 -5.641 2.666 -0.803 681 HG11 VAL 78 1HG1 VAL 78 -6.157 3.932 1.229 682 HG12 VAL 78 2HG1 VAL 78 -6.836 2.306 1.293 683 HG13 VAL 78 3HG1 VAL 78 -7.881 3.686 0.950 684 HG21 VAL 78 3HG2 VAL 78 -8.628 2.568 -1.273 685 HG22 VAL 78 1HG2 VAL 78 -7.626 1.197 -0.790 686 HG23 VAL 78 2HG2 VAL 78 -7.374 1.965 -2.357 687 H ARG 79 H ARG 79 -4.471 4.401 -2.748 688 HA ARG 79 HA ARG 79 -5.783 3.717 -5.301 689 HB2 ARG 79 3HB ARG 79 -3.127 4.152 -5.927 690 HB3 ARG 79 2HB ARG 79 -3.383 5.290 -4.617 691 HG2 ARG 79 3HG ARG 79 -5.162 5.165 -7.044 692 HG3 ARG 79 2HG ARG 79 -3.722 6.172 -6.956 693 HD2 ARG 79 3HD ARG 79 -5.574 7.565 -6.436 694 HD3 ARG 79 2HD ARG 79 -4.709 7.273 -4.930 695 HE ARG 79 HE ARG 79 -6.712 5.362 -5.102 696 HH11 ARG 79 1HH1 ARG 79 -6.511 8.794 -4.897 697 HH12 ARG 79 2HH1 ARG 79 -7.984 8.926 -3.992 698 HH21 ARG 79 2HH2 ARG 79 -9.162 7.134 -3.509 699 HH22 ARG 79 1HH2 ARG 79 -8.607 5.557 -3.976 700 H THR 80 H THR 80 -6.076 1.509 -5.007 701 HA THR 80 HA THR 80 -3.835 -0.181 -4.242 702 HB THR 80 HB THR 80 -6.567 -1.082 -5.196 703 HG1 THR 80 HG1 THR 80 -6.192 -1.181 -2.506 704 HG21 THR 80 3HG2 THR 80 -6.072 -3.112 -3.946 705 HG22 THR 80 1HG2 THR 80 -4.533 -2.440 -3.411 706 HG23 THR 80 2HG2 THR 80 -4.786 -2.810 -5.115 707 H ARG 81 H ARG 81 -2.355 -0.792 -5.710 708 HA ARG 81 HA ARG 81 -3.213 -1.222 -8.506 709 HB2 ARG 81 3HB ARG 81 -0.894 -0.485 -9.158 710 HB3 ARG 81 2HB ARG 81 -0.639 0.006 -7.487 711 HG2 ARG 81 3HG ARG 81 -1.226 1.914 -8.868 712 HG3 ARG 81 2HG ARG 81 -2.487 1.604 -7.672 713 HD2 ARG 81 3HD ARG 81 -3.842 0.481 -9.352 714 HD3 ARG 81 2HD ARG 81 -2.573 0.708 -10.555 715 HE ARG 81 HE ARG 81 -3.177 3.230 -9.670 716 HH11 ARG 81 1HH1 ARG 81 -4.908 0.637 -11.140 717 HH12 ARG 81 2HH1 ARG 81 -6.036 1.692 -11.918 718 HH21 ARG 81 2HH2 ARG 81 -5.878 3.892 -11.667 719 HH22 ARG 81 1HH2 ARG 81 -4.623 4.573 -10.682 720 H LYS 82 H LYS 82 -2.386 -2.973 -9.603 721 HA LYS 82 HA LYS 82 -1.205 -5.067 -7.938 722 HB2 LYS 82 3HB LYS 82 -2.331 -5.147 -10.750 723 HB3 LYS 82 2HB LYS 82 -3.153 -5.657 -9.279 724 HG2 LYS 82 3HG LYS 82 -1.499 -7.444 -8.973 725 HG3 LYS 82 2HG LYS 82 -0.688 -6.941 -10.458 726 HD2 LYS 82 3HD LYS 82 -3.529 -7.948 -10.246 727 HD3 LYS 82 2HD LYS 82 -2.150 -8.864 -10.853 728 HE2 LYS 82 3HE LYS 82 -1.883 -7.279 -12.692 729 HE3 LYS 82 2HE LYS 82 -3.235 -6.326 -12.079 730 HZ1 LYS 82 3HZ LYS 82 -4.678 -8.244 -12.432 731 HZ2 LYS 82 1HZ LYS 82 -3.379 -9.120 -13.066 732 HZ3 LYS 82 2HZ LYS 82 -3.949 -7.749 -13.872 733 H VAL 83 H VAL 83 0.920 -5.320 -7.872 734 HA VAL 83 HA VAL 83 2.574 -4.445 -10.150 735 HB VAL 83 HB VAL 83 4.470 -4.394 -8.575 736 HG11 VAL 83 1HG1 VAL 83 3.761 -2.432 -7.286 737 HG12 VAL 83 2HG1 VAL 83 2.074 -2.810 -7.637 738 HG13 VAL 83 3HG1 VAL 83 3.169 -2.365 -8.946 739 HG21 VAL 83 3HG2 VAL 83 2.406 -5.097 -6.476 740 HG22 VAL 83 1HG2 VAL 83 4.074 -4.620 -6.156 741 HG23 VAL 83 2HG2 VAL 83 3.738 -6.122 -7.015 742 H THR 84 H THR 84 4.329 -5.736 -10.841 743 HA THR 84 HA THR 84 4.041 -8.625 -10.259 744 HB THR 84 HB THR 84 5.001 -9.028 -12.512 745 HG1 THR 84 HG1 THR 84 5.371 -7.320 -13.898 746 HG21 THR 84 3HG2 THR 84 2.558 -8.967 -12.241 747 HG22 THR 84 1HG2 THR 84 3.042 -8.352 -13.823 748 HG23 THR 84 2HG2 THR 84 2.568 -7.230 -12.549 749 H SER 85 H SER 85 6.478 -6.301 -11.421 750 HA SER 85 HA SER 85 8.616 -7.904 -10.207 751 HB2 SER 85 3HB SER 85 10.142 -6.439 -11.518 752 HB3 SER 85 2HB SER 85 8.745 -5.542 -12.108 753 HG SER 85 HG SER 85 9.732 -7.444 -13.365 754 HA PRO 86 HA PRO 86 9.371 -5.155 -6.765 755 HB2 PRO 86 2HB PRO 86 12.147 -4.954 -6.947 756 HB3 PRO 86 3HB PRO 86 11.263 -6.228 -6.102 757 HG2 PRO 86 3HG PRO 86 12.419 -7.536 -7.628 758 HG3 PRO 86 2HG PRO 86 12.450 -6.247 -8.847 759 HD2 PRO 86 3HD PRO 86 10.207 -8.107 -8.111 760 HD3 PRO 86 2HD PRO 86 10.753 -7.582 -9.720 761 H ASP 87 H ASP 87 10.928 -4.447 -9.876 762 HA ASP 87 HA ASP 87 11.487 -1.734 -9.498 763 HB2 ASP 87 3HB ASP 87 10.680 -3.220 -12.009 764 HB3 ASP 87 2HB ASP 87 12.317 -2.890 -11.450 765 H GLU 88 H GLU 88 8.450 -3.311 -10.458 766 HA GLU 88 HA GLU 88 6.919 -1.036 -11.015 767 HB2 GLU 88 3HB GLU 88 4.955 -2.472 -10.258 768 HB3 GLU 88 2HB GLU 88 6.131 -3.713 -9.850 769 HG2 GLU 88 3HG GLU 88 5.182 -4.182 -12.004 770 HG3 GLU 88 2HG GLU 88 6.880 -3.742 -12.194 771 H ALA 89 H ALA 89 7.246 -2.787 -7.918 772 HA ALA 89 HA ALA 89 5.799 -1.094 -6.276 773 HB1 ALA 89 3HB ALA 89 7.118 -1.971 -4.430 774 HB2 ALA 89 1HB ALA 89 8.349 -2.548 -5.556 775 HB3 ALA 89 2HB ALA 89 6.734 -3.258 -5.574 776 H LYS 90 H LYS 90 9.182 -0.795 -7.312 777 HA LYS 90 HA LYS 90 9.819 1.542 -5.861 778 HB2 LYS 90 3HB LYS 90 11.659 1.799 -7.525 779 HB3 LYS 90 2HB LYS 90 10.934 0.517 -8.488 780 HG2 LYS 90 3HG LYS 90 11.220 -1.022 -6.556 781 HG3 LYS 90 2HG LYS 90 12.078 0.262 -5.709 782 HD2 LYS 90 3HD LYS 90 12.924 -0.965 -8.339 783 HD3 LYS 90 2HD LYS 90 13.610 -1.357 -6.765 784 HE2 LYS 90 3HE LYS 90 15.155 0.157 -7.537 785 HE3 LYS 90 2HE LYS 90 14.076 1.223 -6.645 786 HZ1 LYS 90 3HZ LYS 90 14.074 0.787 -9.580 787 HZ2 LYS 90 1HZ LYS 90 14.603 2.173 -8.772 788 HZ3 LYS 90 2HZ LYS 90 12.966 1.756 -8.754 789 H ARG 91 H ARG 91 8.530 1.116 -9.153 790 HA ARG 91 HA ARG 91 8.514 3.815 -9.939 791 HB2 ARG 91 3HB ARG 91 6.860 1.431 -10.784 792 HB3 ARG 91 2HB ARG 91 8.208 2.175 -11.636 793 HG2 ARG 91 3HG ARG 91 6.919 3.995 -12.340 794 HG3 ARG 91 2HG ARG 91 5.665 3.693 -11.139 795 HD2 ARG 91 3HD ARG 91 5.277 1.476 -12.396 796 HD3 ARG 91 2HD ARG 91 6.190 2.232 -13.707 797 HE ARG 91 HE ARG 91 4.127 3.943 -12.760 798 HH11 ARG 91 1HH1 ARG 91 4.656 1.174 -14.738 799 HH12 ARG 91 2HH1 ARG 91 3.237 1.455 -15.682 800 HH21 ARG 91 2HH2 ARG 91 1.921 3.191 -15.243 801 HH22 ARG 91 1HH2 ARG 91 2.322 4.285 -13.962 802 H TRP 92 H TRP 92 5.877 1.849 -8.544 803 HA TRP 92 HA TRP 92 3.940 3.895 -8.774 804 HB2 TRP 92 3HB TRP 92 2.582 2.394 -7.238 805 HB3 TRP 92 2HB TRP 92 3.982 1.326 -7.190 806 HD1 TRP 92 HD1 TRP 92 4.354 -0.264 -9.254 807 HE1 TRP 92 HE1 TRP 92 3.071 -0.701 -11.441 808 HE3 TRP 92 HE3 TRP 92 1.075 3.642 -9.041 809 HZ2 TRP 92 HZ2 TRP 92 0.932 0.461 -12.879 810 HZ3 TRP 92 HZ3 TRP 92 -0.559 3.909 -10.854 811 HH2 TRP 92 HH2 TRP 92 -0.630 2.354 -12.738 812 H ILE 93 H ILE 93 5.934 2.868 -5.993 813 HA ILE 93 HA ILE 93 4.812 4.673 -4.129 814 HB ILE 93 HB ILE 93 7.620 3.546 -4.256 815 HG12 ILE 93 3HG1 ILE 93 5.832 1.859 -4.030 816 HG13 ILE 93 2HG1 ILE 93 5.184 2.724 -2.642 817 HG21 ILE 93 1HG2 ILE 93 7.606 5.586 -2.909 818 HG22 ILE 93 2HG2 ILE 93 7.813 4.167 -1.882 819 HG23 ILE 93 3HG2 ILE 93 6.245 4.970 -1.970 820 HD11 ILE 93 3HD1 ILE 93 7.884 1.408 -2.787 821 HD12 ILE 93 1HD1 ILE 93 6.461 0.785 -1.953 822 HD13 ILE 93 2HD1 ILE 93 7.229 2.272 -1.395 823 H LYS 94 H LYS 94 7.400 5.065 -6.524 824 HA LYS 94 HA LYS 94 8.172 7.686 -5.808 825 HB2 LYS 94 3HB LYS 94 8.225 6.391 -8.547 826 HB3 LYS 94 2HB LYS 94 9.483 6.243 -7.326 827 HG2 LYS 94 3HG LYS 94 9.978 8.601 -7.472 828 HG3 LYS 94 2HG LYS 94 8.623 8.850 -8.575 829 HD2 LYS 94 3HD LYS 94 9.694 7.492 -10.272 830 HD3 LYS 94 2HD LYS 94 11.017 7.105 -9.168 831 HE2 LYS 94 3HE LYS 94 11.620 8.858 -10.796 832 HE3 LYS 94 2HE LYS 94 11.721 9.418 -9.128 833 HZ1 LYS 94 3HZ LYS 94 10.674 11.068 -10.526 834 HZ2 LYS 94 1HZ LYS 94 9.564 10.478 -9.401 835 HZ3 LYS 94 2HZ LYS 94 9.484 9.964 -11.007 836 H GLU 95 H GLU 95 5.948 6.623 -8.422 837 HA GLU 95 HA GLU 95 5.121 9.162 -9.233 838 HB2 GLU 95 3HB GLU 95 3.147 8.058 -10.205 839 HB3 GLU 95 2HB GLU 95 3.491 6.610 -9.270 840 HG2 GLU 95 3HG GLU 95 5.525 6.230 -10.493 841 HG3 GLU 95 2HG GLU 95 5.355 7.770 -11.333 842 H PHE 96 H PHE 96 3.755 7.065 -6.716 843 HA PHE 96 HA PHE 96 1.517 8.607 -6.057 844 HB2 PHE 96 3HB PHE 96 3.206 6.904 -4.210 845 HB3 PHE 96 2HB PHE 96 1.909 6.311 -5.240 846 HD1 PHE 96 HD1 PHE 96 2.725 7.494 -2.005 847 HD2 PHE 96 HD2 PHE 96 -0.436 7.397 -4.866 848 HE1 PHE 96 HE1 PHE 96 1.089 7.904 -0.214 849 HE2 PHE 96 HE2 PHE 96 -2.072 7.812 -3.076 850 HZ PHE 96 HZ PHE 96 -1.310 8.065 -0.746 851 H SER 97 H SER 97 4.868 8.832 -4.843 852 HA SER 97 HA SER 97 4.269 10.960 -3.015 853 HB2 SER 97 3HB SER 97 6.252 9.419 -2.779 854 HB3 SER 97 2HB SER 97 6.636 11.132 -2.621 855 HG SER 97 HG SER 97 6.830 10.037 -5.171 856 H GLU 98 H GLU 98 4.877 10.845 -6.412 857 HA GLU 98 HA GLU 98 5.586 13.635 -6.670 858 HB2 GLU 98 3HB GLU 98 5.255 13.233 -9.113 859 HB3 GLU 98 2HB GLU 98 4.709 11.602 -8.737 860 HG2 GLU 98 3HG GLU 98 7.057 11.684 -9.474 861 HG3 GLU 98 2HG GLU 98 6.869 11.021 -7.852 862 H GLU 99 H GLU 99 2.647 11.698 -7.255 863 HA GLU 99 HA GLU 99 0.907 13.839 -7.837 864 HB2 GLU 99 3HB GLU 99 -0.901 12.306 -7.047 865 HB3 GLU 99 2HB GLU 99 0.331 11.204 -6.447 866 HG2 GLU 99 3HG GLU 99 1.176 10.940 -8.756 867 HG3 GLU 99 2HG GLU 99 -0.130 11.977 -9.326 868 H GLY 100 H GLY 100 1.508 12.156 -4.758 869 HA2 GLY 100 3HA GLY 100 1.691 14.531 -3.238 870 HA3 GLY 100 2HA GLY 100 1.546 12.905 -2.596 871 H GLY 101 H GLY 101 -0.026 15.877 -3.083 872 HA2 GLY 101 3HA GLY 101 -1.847 16.485 -1.670 873 HA3 GLY 101 2HA GLY 101 -2.365 14.811 -1.657 874 H SER 102 H SER 102 -4.291 14.637 -2.591 875 HA SER 102 HA SER 102 -4.747 15.761 -5.232 876 HB2 SER 102 3HB SER 102 -5.493 13.495 -4.924 877 HB3 SER 102 2HB SER 102 -6.926 14.509 -5.086 878 HG SER 102 HG SER 102 -7.389 14.244 -2.987 879 H LEU 103 H LEU 103 -4.985 17.936 -5.006 880 HA LEU 103 HA LEU 103 -6.421 19.308 -3.031 881 HB2 LEU 103 3HB LEU 103 -6.403 21.206 -4.582 882 HB3 LEU 103 2HB LEU 103 -5.985 20.136 -5.909 883 HG LEU 103 HG LEU 103 -3.813 19.655 -4.827 884 HD11 LEU 103 1HD1 LEU 103 -2.784 21.853 -5.199 885 HD12 LEU 103 2HD1 LEU 103 -4.385 22.593 -5.217 886 HD13 LEU 103 3HD1 LEU 103 -3.932 21.438 -6.471 887 HD21 LEU 103 3HD2 LEU 103 -4.473 19.979 -2.498 888 HD22 LEU 103 1HD2 LEU 103 -4.681 21.706 -2.787 889 HD23 LEU 103 2HD2 LEU 103 -3.078 20.979 -2.902 890 H GLU 104 H GLU 104 -7.426 18.161 -6.222 891 HA GLU 104 HA GLU 104 -10.229 18.713 -5.592 892 HB2 GLU 104 3HB GLU 104 -10.617 17.981 -7.955 893 HB3 GLU 104 2HB GLU 104 -8.883 17.741 -8.122 894 HG2 GLU 104 3HG GLU 104 -9.431 19.849 -9.086 895 HG3 GLU 104 2HG GLU 104 -8.559 20.155 -7.583 896 H HIS 105 H HIS 105 -11.771 17.116 -5.365 897 HA HIS 105 HA HIS 105 -10.640 14.652 -4.309 898 HB2 HIS 105 3HB HIS 105 -12.808 14.374 -3.206 899 HB3 HIS 105 2HB HIS 105 -13.455 15.750 -4.103 900 HD1 HIS 105 HD1 HIS 105 -12.700 18.109 -3.358 901 HD2 HIS 105 HD2 HIS 105 -11.058 15.033 -1.105 902 HE1 HIS 105 HE1 HIS 105 -11.624 19.224 -1.394 903 HE2 HIS 105 HE2 HIS 105 -10.433 17.369 -0.191 904 H HIS 106 H HIS 106 -10.412 12.981 -5.620 905 HA HIS 106 HA HIS 106 -11.932 12.497 -7.971 906 HB2 HIS 106 3HB HIS 106 -10.822 10.051 -7.374 907 HB3 HIS 106 2HB HIS 106 -9.765 11.142 -6.490 908 HD1 HIS 106 HD1 HIS 106 -8.902 13.271 -8.161 909 HD2 HIS 106 HD2 HIS 106 -9.981 9.649 -9.886 910 HE1 HIS 106 HE1 HIS 106 -7.799 13.244 -10.413 911 HE2 HIS 106 HE2 HIS 106 -8.348 10.987 -11.373 912 H HIS 107 H HIS 107 -14.133 12.410 -7.485 913 HA HIS 107 HA HIS 107 -15.032 10.239 -5.706 914 HB2 HIS 107 3HB HIS 107 -15.978 12.464 -5.232 915 HB3 HIS 107 2HB HIS 107 -17.224 11.316 -5.699 916 HD1 HIS 107 HD1 HIS 107 -18.720 11.958 -7.598 917 HD2 HIS 107 HD2 HIS 107 -15.358 14.392 -7.335 918 HE1 HIS 107 HE1 HIS 107 -19.093 13.801 -9.255 919 HE2 HIS 107 HE2 HIS 107 -17.106 15.318 -9.002 920 H HIS 108 H HIS 108 -16.434 8.641 -6.391 921 HA HIS 108 HA HIS 108 -16.051 7.515 -8.880 922 HB2 HIS 108 3HB HIS 108 -18.421 7.164 -7.022 923 HB3 HIS 108 2HB HIS 108 -16.904 6.278 -6.944 924 HD1 HIS 108 HD1 HIS 108 -16.490 4.461 -8.785 925 HD2 HIS 108 HD2 HIS 108 -20.256 6.214 -8.886 926 HE1 HIS 108 HE1 HIS 108 -17.876 2.994 -10.272 927 HE2 HIS 108 HE2 HIS 108 -20.188 3.976 -10.172 928 H HIS 109 H HIS 109 -16.732 7.987 -10.875 929 HA HIS 109 HA HIS 109 -19.411 8.966 -11.388 930 HB2 HIS 109 3HB HIS 109 -18.115 11.047 -10.888 931 HB3 HIS 109 2HB HIS 109 -18.773 11.007 -12.520 932 HD1 HIS 109 HD1 HIS 109 -15.466 10.419 -10.735 933 HD2 HIS 109 HD2 HIS 109 -16.932 11.420 -14.497 934 HE1 HIS 109 HE1 HIS 109 -13.448 10.965 -12.124 935 HE2 HIS 109 HE2 HIS 109 -14.348 11.517 -14.407 936 H HIS 110 H HIS 110 -19.584 9.459 -13.895 937 HA HIS 110 HA HIS 110 -18.548 7.134 -15.290 938 HB2 HIS 110 3HB HIS 110 -19.934 7.936 -17.181 939 HB3 HIS 110 2HB HIS 110 -20.311 9.397 -16.272 940 HD1 HIS 110 HD1 HIS 110 -22.634 9.239 -15.442 941 HD2 HIS 110 HD2 HIS 110 -20.676 5.578 -15.231 942 HE1 HIS 110 HE1 HIS 110 -24.281 7.653 -14.417 943 HE2 HIS 110 HE2 HIS 110 -23.132 5.420 -14.443 Start of MODEL 14 1 H1 MET 1 1H MET 1 0.927 17.020 4.501 2 H2 MET 1 2H MET 1 0.216 17.824 3.197 3 H3 MET 1 3H MET 1 1.365 16.619 2.918 4 HA MET 1 HA MET 1 -1.284 16.195 4.174 5 HB2 MET 1 3HB MET 1 -0.311 15.507 1.384 6 HB3 MET 1 2HB MET 1 -1.452 16.781 1.784 7 HG2 MET 1 3HG MET 1 -2.949 14.982 2.726 8 HG3 MET 1 2HG MET 1 -1.856 13.812 1.992 9 HE1 MET 1 3HE MET 1 -5.037 14.059 1.400 10 HE2 MET 1 1HE MET 1 -3.993 12.812 0.726 11 HE3 MET 1 2HE MET 1 -5.031 13.760 -0.339 12 H LEU 2 H LEU 2 -1.660 14.106 4.939 13 HA LEU 2 HA LEU 2 0.713 12.587 5.544 14 HB2 LEU 2 3HB LEU 2 -0.774 11.130 6.835 15 HB3 LEU 2 2HB LEU 2 -2.174 11.944 6.171 16 HG LEU 2 HG LEU 2 -0.169 13.573 7.686 17 HD11 LEU 2 1HD1 LEU 2 -2.156 14.821 8.360 18 HD12 LEU 2 2HD1 LEU 2 -3.171 13.693 7.460 19 HD13 LEU 2 3HD1 LEU 2 -2.011 14.714 6.606 20 HD21 LEU 2 3HD2 LEU 2 -0.495 11.618 9.112 21 HD22 LEU 2 1HD2 LEU 2 -2.244 11.822 9.007 22 HD23 LEU 2 2HD2 LEU 2 -1.258 13.045 9.809 23 H LEU 3 H LEU 3 1.495 10.875 4.480 24 HA LEU 3 HA LEU 3 -0.254 9.406 2.612 25 HB2 LEU 3 3HB LEU 3 1.622 9.389 0.970 26 HB3 LEU 3 2HB LEU 3 2.513 10.477 2.018 27 HG LEU 3 HG LEU 3 0.652 12.154 1.732 28 HD11 LEU 3 1HD1 LEU 3 2.726 12.292 0.424 29 HD12 LEU 3 2HD1 LEU 3 1.329 12.872 -0.481 30 HD13 LEU 3 3HD1 LEU 3 2.002 11.275 -0.823 31 HD21 LEU 3 3HD2 LEU 3 -0.913 11.850 -0.110 32 HD22 LEU 3 1HD2 LEU 3 -1.121 10.601 1.118 33 HD23 LEU 3 2HD2 LEU 3 -0.284 10.227 -0.388 34 H TYR 4 H TYR 4 -0.136 7.253 2.861 35 HA TYR 4 HA TYR 4 2.239 6.082 4.178 36 HB2 TYR 4 3HB TYR 4 0.704 4.585 5.452 37 HB3 TYR 4 2HB TYR 4 -0.666 5.488 4.814 38 HD1 TYR 4 HD1 TYR 4 -1.057 7.828 5.544 39 HD2 TYR 4 HD2 TYR 4 2.064 5.475 7.225 40 HE1 TYR 4 HE1 TYR 4 -0.847 9.433 7.391 41 HE2 TYR 4 HE2 TYR 4 2.282 7.075 9.077 42 HH TYR 4 HH TYR 4 1.781 9.549 9.428 43 H VAL 5 H VAL 5 2.567 3.784 3.793 44 HA VAL 5 HA VAL 5 1.333 2.856 1.265 45 HB VAL 5 HB VAL 5 4.255 2.581 2.024 46 HG11 VAL 5 1HG1 VAL 5 3.448 0.666 0.732 47 HG12 VAL 5 2HG1 VAL 5 4.557 1.649 -0.221 48 HG13 VAL 5 3HG1 VAL 5 2.821 1.754 -0.508 49 HG21 VAL 5 3HG2 VAL 5 3.718 4.874 1.392 50 HG22 VAL 5 1HG2 VAL 5 2.955 4.306 -0.094 51 HG23 VAL 5 2HG2 VAL 5 4.691 4.102 0.142 52 H LEU 6 H LEU 6 0.508 0.866 1.326 53 HA LEU 6 HA LEU 6 1.437 -1.062 3.366 54 HB2 LEU 6 3HB LEU 6 -0.771 -2.131 3.162 55 HB3 LEU 6 2HB LEU 6 -1.251 -0.928 1.977 56 HG LEU 6 HG LEU 6 -1.139 0.827 3.675 57 HD11 LEU 6 1HD1 LEU 6 -2.758 -1.553 4.581 58 HD12 LEU 6 2HD1 LEU 6 -3.248 -0.353 3.384 59 HD13 LEU 6 3HD1 LEU 6 -3.019 0.123 5.068 60 HD21 LEU 6 3HD2 LEU 6 -0.737 0.289 6.025 61 HD22 LEU 6 1HD2 LEU 6 0.672 -0.090 5.036 62 HD23 LEU 6 2HD2 LEU 6 -0.389 -1.385 5.590 63 H ILE 7 H ILE 7 2.519 -2.797 2.567 64 HA ILE 7 HA ILE 7 2.165 -3.422 -0.301 65 HB ILE 7 HB ILE 7 4.397 -2.607 0.122 66 HG12 ILE 7 3HG1 ILE 7 4.131 -4.400 -1.544 67 HG13 ILE 7 2HG1 ILE 7 4.389 -5.612 -0.294 68 HG21 ILE 7 1HG2 ILE 7 4.556 -3.109 2.507 69 HG22 ILE 7 2HG2 ILE 7 5.955 -3.735 1.635 70 HG23 ILE 7 3HG2 ILE 7 4.671 -4.832 2.146 71 HD11 ILE 7 3HD1 ILE 7 6.398 -3.585 -1.232 72 HD12 ILE 7 1HD1 ILE 7 6.381 -5.305 -1.617 73 HD13 ILE 7 2HD1 ILE 7 6.659 -4.777 0.042 74 H ILE 8 H ILE 8 1.219 -5.265 -0.760 75 HA ILE 8 HA ILE 8 1.298 -7.522 1.142 76 HB ILE 8 HB ILE 8 -0.566 -7.144 -1.221 77 HG12 ILE 8 3HG1 ILE 8 -0.865 -5.358 0.502 78 HG13 ILE 8 2HG1 ILE 8 -1.149 -6.606 1.708 79 HG21 ILE 8 1HG2 ILE 8 -1.903 -8.895 -0.127 80 HG22 ILE 8 2HG2 ILE 8 -0.684 -9.029 1.140 81 HG23 ILE 8 3HG2 ILE 8 -0.280 -9.466 -0.519 82 HD11 ILE 8 3HD1 ILE 8 -3.231 -5.644 0.945 83 HD12 ILE 8 1HD1 ILE 8 -3.127 -7.343 0.483 84 HD13 ILE 8 2HD1 ILE 8 -2.845 -6.082 -0.718 85 H SER 9 H SER 9 3.038 -8.794 0.599 86 HA SER 9 HA SER 9 3.128 -10.025 -2.009 87 HB2 SER 9 3HB SER 9 5.392 -8.181 -1.188 88 HB3 SER 9 2HB SER 9 4.300 -7.956 -2.554 89 HG SER 9 HG SER 9 6.534 -9.025 -2.807 90 H ASN 10 H ASN 10 4.495 -11.822 -2.144 91 HA ASN 10 HA ASN 10 5.524 -12.818 0.433 92 HB2 ASN 10 3HB ASN 10 5.500 -15.048 -0.677 93 HB3 ASN 10 2HB ASN 10 4.864 -14.290 -2.135 94 HD21 ASN 10 2HD2 ASN 10 1.730 -15.187 -0.905 95 HD22 ASN 10 1HD2 ASN 10 2.962 -15.470 -2.082 96 H ASP 11 H ASP 11 6.523 -11.774 -2.715 97 HA ASP 11 HA ASP 11 9.139 -12.965 -2.615 98 HB2 ASP 11 3HB ASP 11 8.061 -10.738 -4.362 99 HB3 ASP 11 2HB ASP 11 8.132 -12.450 -4.775 100 H LYS 12 H LYS 12 10.751 -12.304 -1.353 101 HA LYS 12 HA LYS 12 10.552 -9.994 0.271 102 HB2 LYS 12 3HB LYS 12 12.917 -10.554 0.932 103 HB3 LYS 12 2HB LYS 12 12.879 -11.846 -0.262 104 HG2 LYS 12 3HG LYS 12 12.434 -12.737 1.939 105 HG3 LYS 12 2HG LYS 12 10.995 -12.880 0.930 106 HD2 LYS 12 3HD LYS 12 10.313 -12.144 3.112 107 HD3 LYS 12 2HD LYS 12 10.108 -10.801 1.989 108 HE2 LYS 12 3HE LYS 12 11.075 -9.975 4.039 109 HE3 LYS 12 2HE LYS 12 12.277 -9.875 2.753 110 HZ1 LYS 12 3HZ LYS 12 12.132 -12.039 4.782 111 HZ2 LYS 12 1HZ LYS 12 13.204 -10.731 4.829 112 HZ3 LYS 12 2HZ LYS 12 13.316 -11.870 3.585 113 H LYS 13 H LYS 13 12.352 -10.609 -2.732 114 HA LYS 13 HA LYS 13 13.987 -8.340 -2.721 115 HB2 LYS 13 3HB LYS 13 13.909 -8.544 -5.250 116 HB3 LYS 13 2HB LYS 13 12.740 -9.839 -5.031 117 HG2 LYS 13 3HG LYS 13 14.933 -10.768 -5.385 118 HG3 LYS 13 2HG LYS 13 14.403 -11.108 -3.737 119 HD2 LYS 13 3HD LYS 13 16.757 -10.436 -3.786 120 HD3 LYS 13 2HD LYS 13 15.780 -9.266 -2.898 121 HE2 LYS 13 3HE LYS 13 15.757 -7.774 -4.812 122 HE3 LYS 13 2HE LYS 13 16.636 -8.959 -5.778 123 HZ1 LYS 13 3HZ LYS 13 17.679 -7.616 -3.345 124 HZ2 LYS 13 1HZ LYS 13 18.094 -7.228 -4.939 125 HZ3 LYS 13 2HZ LYS 13 18.523 -8.732 -4.300 126 H LEU 14 H LEU 14 10.689 -8.703 -4.005 127 HA LEU 14 HA LEU 14 10.373 -6.049 -4.904 128 HB2 LEU 14 3HB LEU 14 8.192 -7.875 -3.875 129 HB3 LEU 14 2HB LEU 14 8.945 -8.069 -5.444 130 HG LEU 14 HG LEU 14 8.156 -5.624 -5.882 131 HD11 LEU 14 1HD1 LEU 14 7.285 -7.584 -7.046 132 HD12 LEU 14 2HD1 LEU 14 5.994 -6.435 -6.687 133 HD13 LEU 14 3HD1 LEU 14 6.172 -7.895 -5.712 134 HD21 LEU 14 3HD2 LEU 14 7.471 -5.078 -3.606 135 HD22 LEU 14 1HD2 LEU 14 6.308 -6.403 -3.617 136 HD23 LEU 14 2HD2 LEU 14 6.087 -5.024 -4.694 137 H ILE 15 H ILE 15 9.683 -7.571 -1.771 138 HA ILE 15 HA ILE 15 8.522 -5.328 -0.508 139 HB ILE 15 HB ILE 15 10.072 -7.619 0.729 140 HG12 ILE 15 3HG1 ILE 15 8.086 -8.313 -0.585 141 HG13 ILE 15 2HG1 ILE 15 7.082 -7.226 0.367 142 HG21 ILE 15 1HG2 ILE 15 8.211 -5.622 2.033 143 HG22 ILE 15 2HG2 ILE 15 9.954 -5.744 2.276 144 HG23 ILE 15 3HG2 ILE 15 8.896 -7.044 2.819 145 HD11 ILE 15 3HD1 ILE 15 6.839 -9.518 1.109 146 HD12 ILE 15 1HD1 ILE 15 7.566 -8.528 2.374 147 HD13 ILE 15 2HD1 ILE 15 8.572 -9.620 1.422 148 H GLU 16 H GLU 16 11.889 -6.454 -0.581 149 HA GLU 16 HA GLU 16 12.950 -4.493 1.134 150 HB2 GLU 16 3HB GLU 16 15.150 -5.153 0.182 151 HB3 GLU 16 2HB GLU 16 14.312 -6.087 -1.052 152 HG2 GLU 16 3HG GLU 16 15.101 -7.551 0.696 153 HG3 GLU 16 2HG GLU 16 13.338 -7.513 0.696 154 H GLU 17 H GLU 17 12.942 -4.658 -2.447 155 HA GLU 17 HA GLU 17 14.087 -2.166 -2.953 156 HB2 GLU 17 3HB GLU 17 12.746 -2.243 -5.109 157 HB3 GLU 17 2HB GLU 17 12.016 -3.723 -4.509 158 HG2 GLU 17 3HG GLU 17 13.843 -4.165 -6.068 159 HG3 GLU 17 2HG GLU 17 14.171 -4.817 -4.464 160 H ALA 18 H ALA 18 10.707 -3.000 -2.295 161 HA ALA 18 HA ALA 18 9.563 -0.462 -2.661 162 HB1 ALA 18 3HB ALA 18 7.728 -1.284 -1.271 163 HB2 ALA 18 1HB ALA 18 8.728 -2.636 -0.736 164 HB3 ALA 18 2HB ALA 18 8.243 -2.512 -2.427 165 H ARG 19 H ARG 19 10.770 -1.974 0.357 166 HA ARG 19 HA ARG 19 10.299 0.244 2.032 167 HB2 ARG 19 3HB ARG 19 11.854 -0.816 3.611 168 HB3 ARG 19 2HB ARG 19 12.425 -1.891 2.341 169 HG2 ARG 19 3HG ARG 19 10.341 -3.034 2.246 170 HG3 ARG 19 2HG ARG 19 9.557 -1.822 3.260 171 HD2 ARG 19 3HD ARG 19 10.034 -3.862 4.520 172 HD3 ARG 19 2HD ARG 19 10.925 -2.485 5.159 173 HE ARG 19 HE ARG 19 12.154 -4.558 3.448 174 HH11 ARG 19 1HH1 ARG 19 12.301 -2.317 6.069 175 HH12 ARG 19 2HH1 ARG 19 13.859 -2.862 6.583 176 HH21 ARG 19 2HH2 ARG 19 14.901 -4.478 5.486 177 HH22 ARG 19 1HH2 ARG 19 14.154 -5.233 4.117 178 H LYS 20 H LYS 20 13.175 -0.711 0.195 179 HA LYS 20 HA LYS 20 14.939 1.292 0.985 180 HB2 LYS 20 3HB LYS 20 15.972 0.934 -1.322 181 HB3 LYS 20 2HB LYS 20 14.647 -0.181 -1.641 182 HG2 LYS 20 3HG LYS 20 15.376 -1.402 0.476 183 HG3 LYS 20 2HG LYS 20 16.838 -0.423 0.405 184 HD2 LYS 20 3HD LYS 20 15.880 -2.372 -1.697 185 HD3 LYS 20 2HD LYS 20 17.244 -2.587 -0.602 186 HE2 LYS 20 3HE LYS 20 18.381 -1.900 -2.453 187 HE3 LYS 20 2HE LYS 20 18.054 -0.327 -1.727 188 HZ1 LYS 20 3HZ LYS 20 16.164 -0.062 -3.192 189 HZ2 LYS 20 1HZ LYS 20 16.416 -1.600 -3.852 190 HZ3 LYS 20 2HZ LYS 20 17.551 -0.377 -4.100 191 H MET 21 H MET 21 12.453 1.376 -1.557 192 HA MET 21 HA MET 21 13.012 4.042 -2.411 193 HB2 MET 21 3HB MET 21 10.583 3.871 -3.305 194 HB3 MET 21 2HB MET 21 10.638 2.209 -2.730 195 HG2 MET 21 3HG MET 21 11.187 2.227 -5.051 196 HG3 MET 21 2HG MET 21 12.651 1.849 -4.142 197 HE1 MET 21 3HE MET 21 10.936 5.370 -4.525 198 HE2 MET 21 1HE MET 21 10.673 4.624 -6.104 199 HE3 MET 21 2HE MET 21 11.758 6.006 -5.951 200 H ALA 22 H ALA 22 10.635 2.697 -0.124 201 HA ALA 22 HA ALA 22 9.260 5.020 0.527 202 HB1 ALA 22 3HB ALA 22 8.631 2.739 1.264 203 HB2 ALA 22 1HB ALA 22 8.603 3.920 2.575 204 HB3 ALA 22 2HB ALA 22 9.948 2.786 2.436 205 H GLU 23 H GLU 23 12.357 3.854 1.734 206 HA GLU 23 HA GLU 23 12.889 5.659 3.774 207 HB2 GLU 23 3HB GLU 23 15.294 5.335 3.155 208 HB3 GLU 23 2HB GLU 23 14.764 4.511 1.694 209 HG2 GLU 23 3HG GLU 23 15.300 2.796 3.178 210 HG3 GLU 23 2HG GLU 23 13.540 2.893 3.226 211 H LYS 24 H LYS 24 13.544 6.068 0.277 212 HA LYS 24 HA LYS 24 14.527 8.751 0.590 213 HB2 LYS 24 3HB LYS 24 14.365 8.816 -1.937 214 HB3 LYS 24 2HB LYS 24 13.735 7.177 -1.873 215 HG2 LYS 24 3HG LYS 24 16.418 7.959 -0.750 216 HG3 LYS 24 2HG LYS 24 16.185 7.386 -2.398 217 HD2 LYS 24 3HD LYS 24 15.368 5.262 -1.605 218 HD3 LYS 24 2HD LYS 24 15.396 5.829 0.064 219 HE2 LYS 24 3HE LYS 24 17.309 4.385 -0.427 220 HE3 LYS 24 2HE LYS 24 17.819 6.020 -0.014 221 HZ1 LYS 24 3HZ LYS 24 17.585 4.977 -2.780 222 HZ2 LYS 24 1HZ LYS 24 19.031 5.102 -1.914 223 HZ3 LYS 24 2HZ LYS 24 18.170 6.495 -2.329 224 H ALA 25 H ALA 25 11.421 7.306 -0.051 225 HA ALA 25 HA ALA 25 10.154 9.770 -0.856 226 HB1 ALA 25 3HB ALA 25 8.917 7.131 -0.066 227 HB2 ALA 25 1HB ALA 25 9.384 7.602 -1.701 228 HB3 ALA 25 2HB ALA 25 8.094 8.470 -0.867 229 H ASN 26 H ASN 26 10.986 8.350 2.136 230 HA ASN 26 HA ASN 26 10.585 8.863 4.312 231 HB2 ASN 26 3HB ASN 26 9.777 11.200 4.811 232 HB3 ASN 26 2HB ASN 26 9.584 11.441 3.076 233 HD21 ASN 26 2HD2 ASN 26 13.003 11.801 2.430 234 HD22 ASN 26 1HD2 ASN 26 11.447 11.473 1.761 235 H LEU 27 H LEU 27 8.593 7.388 2.841 236 HA LEU 27 HA LEU 27 6.084 8.191 4.172 237 HB2 LEU 27 3HB LEU 27 4.949 6.744 2.543 238 HB3 LEU 27 2HB LEU 27 6.498 6.283 1.860 239 HG LEU 27 HG LEU 27 6.865 8.577 1.083 240 HD11 LEU 27 1HD1 LEU 27 4.180 7.453 0.280 241 HD12 LEU 27 2HD1 LEU 27 5.747 7.055 -0.428 242 HD13 LEU 27 3HD1 LEU 27 5.084 8.678 -0.613 243 HD21 LEU 27 3HD2 LEU 27 4.153 9.155 2.287 244 HD22 LEU 27 1HD2 LEU 27 5.071 10.253 1.255 245 HD23 LEU 27 2HD2 LEU 27 5.704 9.794 2.834 246 H GLU 28 H GLU 28 5.154 6.884 5.678 247 HA GLU 28 HA GLU 28 6.621 4.730 6.814 248 HB2 GLU 28 3HB GLU 28 4.473 4.362 8.150 249 HB3 GLU 28 2HB GLU 28 3.810 5.727 7.267 250 HG2 GLU 28 3HG GLU 28 6.216 5.790 9.074 251 HG3 GLU 28 2HG GLU 28 4.607 6.400 9.456 252 H LEU 29 H LEU 29 6.919 2.922 5.672 253 HA LEU 29 HA LEU 29 4.706 1.728 4.172 254 HB2 LEU 29 3HB LEU 29 7.644 0.996 4.282 255 HB3 LEU 29 2HB LEU 29 6.883 1.998 3.065 256 HG LEU 29 HG LEU 29 5.416 -0.147 2.619 257 HD11 LEU 29 1HD1 LEU 29 6.903 0.869 0.988 258 HD12 LEU 29 2HD1 LEU 29 7.061 -0.886 0.949 259 HD13 LEU 29 3HD1 LEU 29 8.296 0.094 1.743 260 HD21 LEU 29 3HD2 LEU 29 6.241 -1.484 4.475 261 HD22 LEU 29 1HD2 LEU 29 7.896 -1.327 3.885 262 HD23 LEU 29 2HD2 LEU 29 6.705 -2.227 2.946 263 H ARG 30 H ARG 30 3.593 0.020 4.874 264 HA ARG 30 HA ARG 30 4.626 -1.538 7.171 265 HB2 ARG 30 3HB ARG 30 2.277 -1.998 7.743 266 HB3 ARG 30 2HB ARG 30 1.748 -1.061 6.356 267 HG2 ARG 30 3HG ARG 30 1.429 0.375 8.148 268 HG3 ARG 30 2HG ARG 30 2.951 0.919 7.446 269 HD2 ARG 30 3HD ARG 30 2.774 -0.967 9.796 270 HD3 ARG 30 2HD ARG 30 2.916 0.782 9.954 271 HE ARG 30 HE ARG 30 5.018 -0.024 8.347 272 HH11 ARG 30 1HH1 ARG 30 3.915 -0.642 11.553 273 HH12 ARG 30 2HH1 ARG 30 5.511 -0.839 12.186 274 HH21 ARG 30 2HH2 ARG 30 7.279 -0.664 10.850 275 HH22 ARG 30 1HH2 ARG 30 7.079 -0.295 9.173 276 H THR 31 H THR 31 4.822 -3.723 6.921 277 HA THR 31 HA THR 31 4.258 -4.847 4.283 278 HB THR 31 HB THR 31 5.456 -6.872 5.129 279 HG1 THR 31 HG1 THR 31 5.045 -6.602 7.376 280 HG21 THR 31 3HG2 THR 31 6.670 -5.099 3.936 281 HG22 THR 31 1HG2 THR 31 7.683 -5.858 5.164 282 HG23 THR 31 2HG2 THR 31 6.970 -4.274 5.465 283 H VAL 32 H VAL 32 2.356 -5.742 3.882 284 HA VAL 32 HA VAL 32 0.678 -6.726 6.067 285 HB VAL 32 HB VAL 32 0.018 -6.355 3.134 286 HG11 VAL 32 1HG1 VAL 32 -1.770 -6.905 5.507 287 HG12 VAL 32 2HG1 VAL 32 -1.432 -7.999 4.164 288 HG13 VAL 32 3HG1 VAL 32 -2.329 -6.508 3.881 289 HG21 VAL 32 3HG2 VAL 32 -0.595 -4.566 5.495 290 HG22 VAL 32 1HG2 VAL 32 -1.181 -4.333 3.847 291 HG23 VAL 32 2HG2 VAL 32 0.544 -4.221 4.193 292 H LYS 33 H LYS 33 0.480 -8.838 6.510 293 HA LYS 33 HA LYS 33 1.439 -10.789 4.524 294 HB2 LYS 33 3HB LYS 33 1.843 -12.300 6.417 295 HB3 LYS 33 2HB LYS 33 1.182 -11.100 7.524 296 HG2 LYS 33 3HG LYS 33 2.987 -9.562 6.978 297 HG3 LYS 33 2HG LYS 33 3.627 -10.705 5.797 298 HD2 LYS 33 3HD LYS 33 4.090 -12.317 7.574 299 HD3 LYS 33 2HD LYS 33 3.418 -11.206 8.772 300 HE2 LYS 33 3HE LYS 33 5.160 -9.575 8.270 301 HE3 LYS 33 2HE LYS 33 5.808 -10.628 7.015 302 HZ1 LYS 33 3HZ LYS 33 6.311 -12.278 8.724 303 HZ2 LYS 33 1HZ LYS 33 5.736 -11.229 9.920 304 HZ3 LYS 33 2HZ LYS 33 7.105 -10.814 9.018 305 H THR 34 H THR 34 -1.407 -9.797 6.223 306 HA THR 34 HA THR 34 -2.908 -11.974 4.918 307 HB THR 34 HB THR 34 -4.313 -12.387 6.806 308 HG1 THR 34 HG1 THR 34 -3.717 -11.188 8.850 309 HG21 THR 34 3HG2 THR 34 -1.456 -12.277 7.799 310 HG22 THR 34 1HG2 THR 34 -2.188 -13.603 6.894 311 HG23 THR 34 2HG2 THR 34 -2.762 -13.221 8.517 312 H GLU 35 H GLU 35 -5.216 -11.465 4.620 313 HA GLU 35 HA GLU 35 -5.763 -8.860 3.733 314 HB2 GLU 35 3HB GLU 35 -7.808 -10.901 4.653 315 HB3 GLU 35 2HB GLU 35 -7.021 -10.940 3.083 316 HG2 GLU 35 3HG GLU 35 -8.060 -8.904 2.410 317 HG3 GLU 35 2HG GLU 35 -8.660 -8.601 4.040 318 H ASP 36 H ASP 36 -6.300 -10.399 6.851 319 HA ASP 36 HA ASP 36 -7.900 -8.420 8.045 320 HB2 ASP 36 3HB ASP 36 -5.941 -10.314 9.372 321 HB3 ASP 36 2HB ASP 36 -7.616 -10.688 8.972 322 H GLU 37 H GLU 37 -4.357 -8.807 7.940 323 HA GLU 37 HA GLU 37 -3.677 -6.585 9.529 324 HB2 GLU 37 3HB GLU 37 -1.500 -6.636 8.292 325 HB3 GLU 37 2HB GLU 37 -2.192 -7.829 7.201 326 HG2 GLU 37 3HG GLU 37 -0.806 -8.904 8.856 327 HG3 GLU 37 2HG GLU 37 -2.491 -9.373 9.071 328 H LEU 38 H LEU 38 -4.238 -6.849 6.033 329 HA LEU 38 HA LEU 38 -3.701 -4.213 5.283 330 HB2 LEU 38 3HB LEU 38 -5.907 -5.938 4.131 331 HB3 LEU 38 2HB LEU 38 -4.214 -6.235 3.810 332 HG LEU 38 HG LEU 38 -5.027 -5.100 1.915 333 HD11 LEU 38 1HD1 LEU 38 -7.128 -4.278 2.847 334 HD12 LEU 38 2HD1 LEU 38 -6.275 -3.019 1.954 335 HD13 LEU 38 3HD1 LEU 38 -6.254 -3.018 3.717 336 HD21 LEU 38 3HD2 LEU 38 -3.790 -2.999 1.885 337 HD22 LEU 38 1HD2 LEU 38 -2.870 -4.270 2.692 338 HD23 LEU 38 2HD2 LEU 38 -3.681 -3.028 3.646 339 H LYS 39 H LYS 39 -6.809 -5.666 6.261 340 HA LYS 39 HA LYS 39 -8.388 -3.366 6.343 341 HB2 LYS 39 3HB LYS 39 -8.499 -5.775 8.178 342 HB3 LYS 39 2HB LYS 39 -9.263 -5.664 6.598 343 HG2 LYS 39 3HG LYS 39 -10.847 -4.099 7.342 344 HG3 LYS 39 2HG LYS 39 -9.925 -3.729 8.800 345 HD2 LYS 39 3HD LYS 39 -11.232 -6.396 8.230 346 HD3 LYS 39 2HD LYS 39 -11.936 -5.124 9.231 347 HE2 LYS 39 3HE LYS 39 -9.973 -5.245 10.728 348 HE3 LYS 39 2HE LYS 39 -9.336 -6.569 9.754 349 HZ1 LYS 39 3HZ LYS 39 -11.231 -7.907 10.333 350 HZ2 LYS 39 1HZ LYS 39 -11.931 -6.625 11.189 351 HZ3 LYS 39 2HZ LYS 39 -10.502 -7.333 11.748 352 H LYS 40 H LYS 40 -6.495 -4.850 8.951 353 HA LYS 40 HA LYS 40 -7.075 -3.169 11.059 354 HB2 LYS 40 3HB LYS 40 -4.542 -4.660 10.359 355 HB3 LYS 40 2HB LYS 40 -5.844 -5.194 11.410 356 HG2 LYS 40 3HG LYS 40 -3.898 -2.963 11.976 357 HG3 LYS 40 2HG LYS 40 -3.905 -4.566 12.712 358 HD2 LYS 40 3HD LYS 40 -6.073 -4.110 13.736 359 HD3 LYS 40 2HD LYS 40 -6.116 -2.520 12.970 360 HE2 LYS 40 3HE LYS 40 -4.031 -1.936 14.195 361 HE3 LYS 40 2HE LYS 40 -4.144 -3.479 15.041 362 HZ1 LYS 40 3HZ LYS 40 -6.159 -1.304 15.127 363 HZ2 LYS 40 1HZ LYS 40 -5.069 -1.696 16.359 364 HZ3 LYS 40 2HZ LYS 40 -6.285 -2.788 15.925 365 H TYR 41 H TYR 41 -4.386 -2.821 8.740 366 HA TYR 41 HA TYR 41 -3.399 -0.424 9.873 367 HB2 TYR 41 3HB TYR 41 -2.054 -0.228 7.828 368 HB3 TYR 41 2HB TYR 41 -3.034 -1.473 7.056 369 HD1 TYR 41 HD1 TYR 41 -2.059 -1.697 10.595 370 HD2 TYR 41 HD2 TYR 41 -1.134 -2.943 6.629 371 HE1 TYR 41 HE1 TYR 41 -0.570 -3.428 11.492 372 HE2 TYR 41 HE2 TYR 41 0.356 -4.684 7.522 373 HH TYR 41 HH TYR 41 0.298 -5.757 10.600 374 H LEU 42 H LEU 42 -5.721 -1.026 7.243 375 HA LEU 42 HA LEU 42 -6.107 1.652 6.472 376 HB2 LEU 42 3HB LEU 42 -8.430 0.854 5.797 377 HB3 LEU 42 2HB LEU 42 -7.982 -0.711 6.448 378 HG LEU 42 HG LEU 42 -6.201 -0.930 4.798 379 HD11 LEU 42 1HD1 LEU 42 -8.824 -0.105 3.543 380 HD12 LEU 42 2HD1 LEU 42 -8.430 -1.703 4.178 381 HD13 LEU 42 3HD1 LEU 42 -7.570 -1.078 2.772 382 HD21 LEU 42 3HD2 LEU 42 -5.558 1.419 4.613 383 HD22 LEU 42 1HD2 LEU 42 -7.085 1.787 3.808 384 HD23 LEU 42 2HD2 LEU 42 -5.903 0.736 3.025 385 H GLU 43 H GLU 43 -7.742 -0.265 9.007 386 HA GLU 43 HA GLU 43 -9.469 1.797 9.872 387 HB2 GLU 43 3HB GLU 43 -9.673 0.479 11.982 388 HB3 GLU 43 2HB GLU 43 -8.392 -0.580 11.402 389 HG2 GLU 43 3HG GLU 43 -9.737 -1.378 9.613 390 HG3 GLU 43 2HG GLU 43 -10.960 -0.140 9.892 391 H GLU 44 H GLU 44 -6.153 1.000 10.707 392 HA GLU 44 HA GLU 44 -5.857 2.851 12.836 393 HB2 GLU 44 3HB GLU 44 -3.792 1.744 10.916 394 HB3 GLU 44 2HB GLU 44 -4.270 1.025 12.448 395 HG2 GLU 44 3HG GLU 44 -3.450 3.128 13.569 396 HG3 GLU 44 2HG GLU 44 -2.772 3.597 12.011 397 H PHE 45 H PHE 45 -5.319 3.137 9.330 398 HA PHE 45 HA PHE 45 -4.396 5.833 9.429 399 HB2 PHE 45 3HB PHE 45 -4.741 5.813 6.972 400 HB3 PHE 45 2HB PHE 45 -5.547 4.254 7.119 401 HD1 PHE 45 HD1 PHE 45 -4.072 2.934 5.821 402 HD2 PHE 45 HD2 PHE 45 -2.541 5.309 9.013 403 HE1 PHE 45 HE1 PHE 45 -1.904 1.789 5.637 404 HE2 PHE 45 HE2 PHE 45 -0.375 4.163 8.829 405 HZ PHE 45 HZ PHE 45 -0.052 2.400 7.139 406 H ARG 46 H ARG 46 -7.566 4.432 9.474 407 HA ARG 46 HA ARG 46 -9.073 6.658 8.613 408 HB2 ARG 46 3HB ARG 46 -10.901 5.630 10.093 409 HB3 ARG 46 2HB ARG 46 -9.726 4.382 10.488 410 HG2 ARG 46 3HG ARG 46 -9.523 3.889 8.050 411 HG3 ARG 46 2HG ARG 46 -10.824 5.040 7.755 412 HD2 ARG 46 3HD ARG 46 -11.018 2.514 9.396 413 HD3 ARG 46 2HD ARG 46 -11.680 2.765 7.783 414 HE ARG 46 HE ARG 46 -12.747 4.719 9.464 415 HH11 ARG 46 1HH1 ARG 46 -12.867 1.300 9.026 416 HH12 ARG 46 2HH1 ARG 46 -14.461 1.162 9.679 417 HH21 ARG 46 2HH2 ARG 46 -15.538 2.977 10.392 418 HH22 ARG 46 1HH2 ARG 46 -14.784 4.530 10.298 419 H LYS 47 H LYS 47 -7.240 6.166 11.478 420 HA LYS 47 HA LYS 47 -8.469 7.988 13.232 421 HB2 LYS 47 3HB LYS 47 -6.137 8.189 14.215 422 HB3 LYS 47 2HB LYS 47 -5.578 7.155 12.906 423 HG2 LYS 47 3HG LYS 47 -7.318 5.470 13.711 424 HG3 LYS 47 2HG LYS 47 -7.448 6.470 15.157 425 HD2 LYS 47 3HD LYS 47 -4.966 5.071 14.146 426 HD3 LYS 47 2HD LYS 47 -5.917 4.636 15.564 427 HE2 LYS 47 3HE LYS 47 -4.157 5.771 16.522 428 HE3 LYS 47 2HE LYS 47 -5.356 7.051 16.363 429 HZ1 LYS 47 3HZ LYS 47 -3.167 6.550 14.419 430 HZ2 LYS 47 1HZ LYS 47 -3.118 7.717 15.641 431 HZ3 LYS 47 2HZ LYS 47 -4.253 7.849 14.398 432 H GLU 48 H GLU 48 -5.730 8.552 10.983 433 HA GLU 48 HA GLU 48 -6.151 11.443 11.178 434 HB2 GLU 48 3HB GLU 48 -4.097 11.545 9.705 435 HB3 GLU 48 2HB GLU 48 -4.004 9.793 9.829 436 HG2 GLU 48 3HG GLU 48 -3.955 11.612 12.223 437 HG3 GLU 48 2HG GLU 48 -2.504 11.103 11.365 438 H SER 49 H SER 49 -8.238 9.988 9.899 439 HA SER 49 HA SER 49 -7.950 9.881 7.073 440 HB2 SER 49 3HB SER 49 -9.595 8.495 8.192 441 HB3 SER 49 2HB SER 49 -10.425 9.568 7.066 442 HG SER 49 HG SER 49 -10.629 9.395 9.782 443 H GLN 50 H GLN 50 -7.608 12.615 8.577 444 HA GLN 50 HA GLN 50 -9.572 14.322 7.364 445 HB2 GLN 50 3HB GLN 50 -8.245 16.165 8.250 446 HB3 GLN 50 2HB GLN 50 -6.899 15.082 8.573 447 HG2 GLN 50 3HG GLN 50 -8.095 15.635 10.615 448 HG3 GLN 50 2HG GLN 50 -8.213 13.914 10.258 449 HE21 GLN 50 2HE2 GLN 50 -11.597 14.305 11.039 450 HE22 GLN 50 1HE2 GLN 50 -10.057 13.710 11.543 451 H ASN 51 H ASN 51 -6.024 14.124 6.900 452 HA ASN 51 HA ASN 51 -6.409 14.729 4.027 453 HB2 ASN 51 3HB ASN 51 -4.461 16.159 4.024 454 HB3 ASN 51 2HB ASN 51 -4.093 15.751 5.696 455 HD21 ASN 51 2HD2 ASN 51 -6.197 18.118 7.083 456 HD22 ASN 51 1HD2 ASN 51 -5.161 16.764 7.333 457 H ILE 52 H ILE 52 -6.203 12.367 3.702 458 HA ILE 52 HA ILE 52 -3.429 11.451 3.844 459 HB ILE 52 HB ILE 52 -4.416 10.830 6.009 460 HG12 ILE 52 3HG1 ILE 52 -2.664 9.400 5.038 461 HG13 ILE 52 2HG1 ILE 52 -3.888 8.451 4.201 462 HG21 ILE 52 1HG2 ILE 52 -6.363 9.196 4.376 463 HG22 ILE 52 2HG2 ILE 52 -6.745 10.622 5.341 464 HG23 ILE 52 3HG2 ILE 52 -6.199 9.145 6.134 465 HD11 ILE 52 3HD1 ILE 52 -3.089 7.307 6.177 466 HD12 ILE 52 1HD1 ILE 52 -4.795 7.722 6.342 467 HD13 ILE 52 2HD1 ILE 52 -3.569 8.672 7.183 468 H LYS 53 H LYS 53 -2.855 9.876 2.398 469 HA LYS 53 HA LYS 53 -4.990 8.462 0.923 470 HB2 LYS 53 3HB LYS 53 -3.585 8.409 -1.078 471 HB3 LYS 53 2HB LYS 53 -2.331 9.319 -0.251 472 HG2 LYS 53 3HG LYS 53 -3.654 11.287 -0.210 473 HG3 LYS 53 2HG LYS 53 -5.090 10.412 -0.757 474 HD2 LYS 53 3HD LYS 53 -2.555 10.827 -2.366 475 HD3 LYS 53 2HD LYS 53 -4.069 11.704 -2.588 476 HE2 LYS 53 3HE LYS 53 -5.207 9.601 -3.150 477 HE3 LYS 53 2HE LYS 53 -3.690 8.728 -2.938 478 HZ1 LYS 53 3HZ LYS 53 -2.742 9.846 -4.795 479 HZ2 LYS 53 1HZ LYS 53 -4.070 10.891 -4.929 480 HZ3 LYS 53 2HZ LYS 53 -4.247 9.250 -5.275 481 H VAL 54 H VAL 54 -4.705 6.264 0.731 482 HA VAL 54 HA VAL 54 -2.260 5.139 1.962 483 HB VAL 54 HB VAL 54 -4.955 3.792 1.628 484 HG11 VAL 54 1HG1 VAL 54 -4.042 2.087 3.143 485 HG12 VAL 54 2HG1 VAL 54 -2.488 2.920 3.147 486 HG13 VAL 54 3HG1 VAL 54 -3.101 2.201 1.656 487 HG21 VAL 54 3HG2 VAL 54 -5.206 4.081 4.054 488 HG22 VAL 54 1HG2 VAL 54 -5.101 5.634 3.222 489 HG23 VAL 54 2HG2 VAL 54 -3.704 5.007 4.098 490 H LEU 55 H LEU 55 -0.836 4.379 0.526 491 HA LEU 55 HA LEU 55 -1.688 3.499 -2.127 492 HB2 LEU 55 3HB LEU 55 1.063 3.787 -0.905 493 HB3 LEU 55 2HB LEU 55 0.266 4.964 -1.930 494 HG LEU 55 HG LEU 55 0.967 2.179 -2.868 495 HD11 LEU 55 1HD1 LEU 55 -0.774 3.301 -4.154 496 HD12 LEU 55 2HD1 LEU 55 0.706 3.131 -5.096 497 HD13 LEU 55 3HD1 LEU 55 0.284 4.693 -4.391 498 HD21 LEU 55 3HD2 LEU 55 3.028 3.282 -2.224 499 HD22 LEU 55 1HD2 LEU 55 2.586 4.710 -3.160 500 HD23 LEU 55 2HD2 LEU 55 2.915 3.185 -3.981 501 H ILE 56 H ILE 56 -2.367 1.429 -2.292 502 HA ILE 56 HA ILE 56 -1.083 -0.622 -0.598 503 HB ILE 56 HB ILE 56 -3.737 -0.784 -2.048 504 HG12 ILE 56 3HG1 ILE 56 -3.768 0.863 -0.198 505 HG13 ILE 56 2HG1 ILE 56 -3.154 -0.365 0.903 506 HG21 ILE 56 1HG2 ILE 56 -2.468 -2.647 -0.031 507 HG22 ILE 56 2HG2 ILE 56 -2.686 -2.969 -1.751 508 HG23 ILE 56 3HG2 ILE 56 -4.093 -2.811 -0.700 509 HD11 ILE 56 3HD1 ILE 56 -5.543 -0.045 1.178 510 HD12 ILE 56 1HD1 ILE 56 -5.187 -1.672 0.597 511 HD13 ILE 56 2HD1 ILE 56 -5.806 -0.452 -0.518 512 H LEU 57 H LEU 57 0.502 -1.687 -1.629 513 HA LEU 57 HA LEU 57 0.280 -2.261 -4.501 514 HB2 LEU 57 3HB LEU 57 2.638 -3.258 -4.082 515 HB3 LEU 57 2HB LEU 57 2.552 -2.457 -2.528 516 HG LEU 57 HG LEU 57 3.823 -1.151 -4.176 517 HD11 LEU 57 1HD1 LEU 57 1.233 -0.997 -5.718 518 HD12 LEU 57 2HD1 LEU 57 2.678 -1.885 -6.200 519 HD13 LEU 57 3HD1 LEU 57 2.720 -0.125 -6.094 520 HD21 LEU 57 3HD2 LEU 57 2.682 0.995 -3.889 521 HD22 LEU 57 1HD2 LEU 57 2.660 0.047 -2.402 522 HD23 LEU 57 2HD2 LEU 57 1.211 0.153 -3.403 523 H VAL 58 H VAL 58 -0.661 -4.113 -5.099 524 HA VAL 58 HA VAL 58 -0.695 -6.357 -3.184 525 HB VAL 58 HB VAL 58 -2.668 -7.176 -4.376 526 HG11 VAL 58 1HG1 VAL 58 -4.233 -5.407 -3.695 527 HG12 VAL 58 2HG1 VAL 58 -2.889 -4.273 -3.557 528 HG13 VAL 58 3HG1 VAL 58 -2.978 -5.669 -2.483 529 HG21 VAL 58 3HG2 VAL 58 -2.369 -4.692 -6.068 530 HG22 VAL 58 1HG2 VAL 58 -3.749 -5.786 -6.094 531 HG23 VAL 58 2HG2 VAL 58 -2.165 -6.357 -6.610 532 H SER 59 H SER 59 -0.048 -8.386 -3.741 533 HA SER 59 HA SER 59 1.716 -8.629 -6.012 534 HB2 SER 59 3HB SER 59 0.953 -10.632 -3.873 535 HB3 SER 59 2HB SER 59 2.369 -9.583 -3.865 536 HG SER 59 HG SER 59 2.441 -10.902 -6.143 537 H ASN 60 H ASN 60 -1.586 -9.532 -5.396 538 HA ASN 60 HA ASN 60 -1.670 -10.909 -7.995 539 HB2 ASN 60 3HB ASN 60 -3.139 -12.676 -7.096 540 HB3 ASN 60 2HB ASN 60 -2.947 -12.015 -5.479 541 HD21 ASN 60 2HD2 ASN 60 0.119 -13.526 -4.885 542 HD22 ASN 60 1HD2 ASN 60 -1.097 -12.426 -4.345 543 H ASP 61 H ASP 61 -3.906 -11.205 -8.834 544 HA ASP 61 HA ASP 61 -5.349 -8.788 -8.822 545 HB2 ASP 61 3HB ASP 61 -5.357 -10.326 -10.724 546 HB3 ASP 61 2HB ASP 61 -7.003 -10.006 -10.187 547 H GLU 62 H GLU 62 -5.938 -11.853 -7.109 548 HA GLU 62 HA GLU 62 -8.438 -11.223 -5.997 549 HB2 GLU 62 3HB GLU 62 -6.226 -12.887 -4.757 550 HB3 GLU 62 2HB GLU 62 -7.393 -13.480 -5.931 551 HG2 GLU 62 3HG GLU 62 -9.211 -13.027 -4.352 552 HG3 GLU 62 2HG GLU 62 -8.040 -12.433 -3.176 553 H GLU 63 H GLU 63 -5.173 -10.765 -4.675 554 HA GLU 63 HA GLU 63 -5.795 -9.485 -2.284 555 HB2 GLU 63 3HB GLU 63 -3.528 -8.723 -2.249 556 HB3 GLU 63 2HB GLU 63 -3.420 -8.749 -4.004 557 HG2 GLU 63 3HG GLU 63 -2.161 -10.579 -3.157 558 HG3 GLU 63 2HG GLU 63 -3.603 -11.217 -3.940 559 H LEU 64 H LEU 64 -5.327 -8.136 -5.519 560 HA LEU 64 HA LEU 64 -5.570 -5.413 -5.052 561 HB2 LEU 64 3HB LEU 64 -6.645 -7.028 -7.373 562 HB3 LEU 64 2HB LEU 64 -5.009 -6.422 -7.227 563 HG LEU 64 HG LEU 64 -7.465 -4.668 -7.439 564 HD11 LEU 64 1HD1 LEU 64 -5.620 -3.592 -6.276 565 HD12 LEU 64 2HD1 LEU 64 -5.857 -2.875 -7.869 566 HD13 LEU 64 3HD1 LEU 64 -4.527 -4.002 -7.599 567 HD21 LEU 64 3HD2 LEU 64 -6.728 -4.238 -9.741 568 HD22 LEU 64 1HD2 LEU 64 -7.140 -5.935 -9.493 569 HD23 LEU 64 2HD2 LEU 64 -5.449 -5.439 -9.552 570 H ASP 65 H ASP 65 -8.190 -7.714 -5.804 571 HA ASP 65 HA ASP 65 -10.230 -5.752 -5.668 572 HB2 ASP 65 3HB ASP 65 -10.587 -8.741 -5.431 573 HB3 ASP 65 2HB ASP 65 -10.318 -7.909 -6.960 574 H LYS 66 H LYS 66 -9.167 -8.240 -3.323 575 HA LYS 66 HA LYS 66 -11.165 -7.719 -1.402 576 HB2 LYS 66 3HB LYS 66 -9.737 -8.888 0.196 577 HB3 LYS 66 2HB LYS 66 -8.353 -8.715 -0.876 578 HG2 LYS 66 3HG LYS 66 -9.400 -10.980 -0.879 579 HG3 LYS 66 2HG LYS 66 -9.288 -10.222 -2.466 580 HD2 LYS 66 3HD LYS 66 -11.440 -11.267 -2.252 581 HD3 LYS 66 2HD LYS 66 -11.659 -9.518 -2.263 582 HE2 LYS 66 3HE LYS 66 -13.093 -10.465 -0.587 583 HE3 LYS 66 2HE LYS 66 -11.804 -9.569 0.214 584 HZ1 LYS 66 3HZ LYS 66 -10.680 -11.597 0.712 585 HZ2 LYS 66 1HZ LYS 66 -11.788 -12.510 -0.182 586 HZ3 LYS 66 2HZ LYS 66 -12.279 -11.737 1.236 587 H ALA 67 H ALA 67 -8.026 -6.204 -1.959 588 HA ALA 67 HA ALA 67 -7.952 -4.606 0.374 589 HB1 ALA 67 3HB ALA 67 -6.716 -4.057 -2.327 590 HB2 ALA 67 1HB ALA 67 -5.986 -5.001 -1.028 591 HB3 ALA 67 2HB ALA 67 -6.278 -3.276 -0.806 592 H LYS 68 H LYS 68 -9.021 -3.790 -2.951 593 HA LYS 68 HA LYS 68 -9.929 -1.189 -2.302 594 HB2 LYS 68 3HB LYS 68 -9.504 -1.627 -4.594 595 HB3 LYS 68 2HB LYS 68 -11.235 -1.351 -4.463 596 HG2 LYS 68 3HG LYS 68 -11.622 -3.770 -4.522 597 HG3 LYS 68 2HG LYS 68 -9.885 -4.037 -4.657 598 HD2 LYS 68 3HD LYS 68 -10.606 -4.202 -6.860 599 HD3 LYS 68 2HD LYS 68 -10.027 -2.541 -6.757 600 HE2 LYS 68 3HE LYS 68 -12.119 -2.562 -7.939 601 HE3 LYS 68 2HE LYS 68 -12.363 -1.796 -6.370 602 HZ1 LYS 68 3HZ LYS 68 -13.338 -3.813 -5.535 603 HZ2 LYS 68 1HZ LYS 68 -13.001 -4.636 -6.974 604 HZ3 LYS 68 2HZ LYS 68 -14.133 -3.378 -6.961 605 H GLU 69 H GLU 69 -11.533 -4.332 -2.084 606 HA GLU 69 HA GLU 69 -14.152 -3.361 -1.635 607 HB2 GLU 69 3HB GLU 69 -14.504 -5.548 -0.401 608 HB3 GLU 69 2HB GLU 69 -12.802 -5.899 -0.685 609 HG2 GLU 69 3HG GLU 69 -13.121 -5.973 -3.043 610 HG3 GLU 69 2HG GLU 69 -14.757 -5.332 -2.902 611 H LEU 70 H LEU 70 -11.640 -4.322 0.741 612 HA LEU 70 HA LEU 70 -12.954 -3.529 3.063 613 HB2 LEU 70 3HB LEU 70 -10.665 -3.227 4.039 614 HB3 LEU 70 2HB LEU 70 -9.998 -3.424 2.429 615 HG LEU 70 HG LEU 70 -10.981 -5.721 2.359 616 HD11 LEU 70 1HD1 LEU 70 -9.118 -5.195 4.675 617 HD12 LEU 70 2HD1 LEU 70 -8.644 -5.377 2.986 618 HD13 LEU 70 3HD1 LEU 70 -9.348 -6.740 3.855 619 HD21 LEU 70 3HD2 LEU 70 -12.796 -5.388 3.964 620 HD22 LEU 70 1HD2 LEU 70 -11.620 -5.183 5.265 621 HD23 LEU 70 2HD2 LEU 70 -11.769 -6.738 4.444 622 H ALA 71 H ALA 71 -10.818 -1.587 0.978 623 HA ALA 71 HA ALA 71 -10.899 0.802 2.434 624 HB1 ALA 71 3HB ALA 71 -9.281 0.380 0.675 625 HB2 ALA 71 1HB ALA 71 -10.159 1.878 0.359 626 HB3 ALA 71 2HB ALA 71 -10.561 0.412 -0.537 627 H GLN 72 H GLN 72 -12.892 -0.110 -0.407 628 HA GLN 72 HA GLN 72 -14.417 2.259 -0.449 629 HB2 GLN 72 3HB GLN 72 -16.023 0.914 -1.866 630 HB3 GLN 72 2HB GLN 72 -15.007 -0.486 -1.562 631 HG2 GLN 72 3HG GLN 72 -13.139 0.557 -2.679 632 HG3 GLN 72 2HG GLN 72 -14.053 2.051 -2.881 633 HE21 GLN 72 2HE2 GLN 72 -14.654 -1.092 -5.371 634 HE22 GLN 72 1HE2 GLN 72 -13.721 -1.250 -3.925 635 H LYS 73 H LYS 73 -15.049 -0.859 1.149 636 HA LYS 73 HA LYS 73 -17.666 -0.150 2.024 637 HB2 LYS 73 3HB LYS 73 -17.451 -2.105 3.559 638 HB3 LYS 73 2HB LYS 73 -15.766 -2.259 3.071 639 HG2 LYS 73 3HG LYS 73 -16.416 -2.731 0.794 640 HG3 LYS 73 2HG LYS 73 -18.109 -2.430 1.177 641 HD2 LYS 73 3HD LYS 73 -17.744 -4.806 1.060 642 HD3 LYS 73 2HD LYS 73 -18.075 -4.358 2.731 643 HE2 LYS 73 3HE LYS 73 -15.263 -4.650 1.709 644 HE3 LYS 73 2HE LYS 73 -16.187 -6.034 2.291 645 HZ1 LYS 73 3HZ LYS 73 -16.487 -4.836 4.407 646 HZ2 LYS 73 1HZ LYS 73 -15.449 -3.623 3.858 647 HZ3 LYS 73 2HZ LYS 73 -14.875 -5.196 4.072 648 H MET 74 H MET 74 -14.501 0.576 3.248 649 HA MET 74 HA MET 74 -15.688 1.773 5.662 650 HB2 MET 74 3HB MET 74 -13.287 2.184 6.326 651 HB3 MET 74 2HB MET 74 -12.805 1.276 4.896 652 HG2 MET 74 3HG MET 74 -13.910 -0.704 5.736 653 HG3 MET 74 2HG MET 74 -14.526 0.194 7.122 654 HE1 MET 74 3HE MET 74 -10.097 -0.915 6.451 655 HE2 MET 74 1HE MET 74 -10.934 0.250 5.425 656 HE3 MET 74 2HE MET 74 -11.427 -1.443 5.421 657 H GLU 75 H GLU 75 -15.127 2.632 2.552 658 HA GLU 75 HA GLU 75 -15.302 4.585 1.422 659 HB2 GLU 75 3HB GLU 75 -16.259 6.544 2.607 660 HB3 GLU 75 2HB GLU 75 -16.034 5.705 4.140 661 HG2 GLU 75 3HG GLU 75 -17.602 3.988 3.486 662 HG3 GLU 75 2HG GLU 75 -17.752 4.690 1.876 663 H ILE 76 H ILE 76 -12.700 3.838 2.378 664 HA ILE 76 HA ILE 76 -11.371 6.308 3.184 665 HB ILE 76 HB ILE 76 -10.127 3.618 2.563 666 HG12 ILE 76 3HG1 ILE 76 -11.810 3.475 4.388 667 HG13 ILE 76 2HG1 ILE 76 -10.964 4.756 5.252 668 HG21 ILE 76 1HG2 ILE 76 -9.067 6.000 4.103 669 HG22 ILE 76 2HG2 ILE 76 -8.542 5.475 2.502 670 HG23 ILE 76 3HG2 ILE 76 -8.243 4.451 3.904 671 HD11 ILE 76 3HD1 ILE 76 -10.421 2.574 6.152 672 HD12 ILE 76 1HD1 ILE 76 -8.997 3.335 5.444 673 HD13 ILE 76 2HD1 ILE 76 -9.837 2.051 4.574 674 H ASP 77 H ASP 77 -10.157 7.598 1.880 675 HA ASP 77 HA ASP 77 -10.156 7.234 -0.965 676 HB2 ASP 77 3HB ASP 77 -8.860 9.335 -0.996 677 HB3 ASP 77 2HB ASP 77 -8.674 9.244 0.754 678 H VAL 78 H VAL 78 -8.998 5.405 -1.522 679 HA VAL 78 HA VAL 78 -6.186 5.210 -0.635 680 HB VAL 78 HB VAL 78 -6.324 2.793 -1.060 681 HG11 VAL 78 1HG1 VAL 78 -6.808 3.648 1.181 682 HG12 VAL 78 2HG1 VAL 78 -7.761 2.206 0.830 683 HG13 VAL 78 3HG1 VAL 78 -8.516 3.799 0.762 684 HG21 VAL 78 3HG2 VAL 78 -9.246 3.313 -1.659 685 HG22 VAL 78 1HG2 VAL 78 -8.489 1.725 -1.519 686 HG23 VAL 78 2HG2 VAL 78 -8.020 2.812 -2.826 687 H ARG 79 H ARG 79 -4.727 4.054 -2.123 688 HA ARG 79 HA ARG 79 -5.371 4.318 -4.981 689 HB2 ARG 79 3HB ARG 79 -2.636 5.015 -3.897 690 HB3 ARG 79 2HB ARG 79 -3.902 6.228 -3.999 691 HG2 ARG 79 3HG ARG 79 -2.822 4.659 -6.341 692 HG3 ARG 79 2HG ARG 79 -2.358 6.307 -5.908 693 HD2 ARG 79 3HD ARG 79 -4.777 6.950 -6.121 694 HD3 ARG 79 2HD ARG 79 -5.081 5.342 -6.779 695 HE ARG 79 HE ARG 79 -3.008 6.667 -8.203 696 HH11 ARG 79 1HH1 ARG 79 -6.437 6.568 -7.838 697 HH12 ARG 79 2HH1 ARG 79 -6.729 7.169 -9.429 698 HH21 ARG 79 2HH2 ARG 79 -5.040 7.652 -10.772 699 HH22 ARG 79 1HH2 ARG 79 -3.407 7.422 -10.246 700 H THR 80 H THR 80 -5.662 2.063 -5.121 701 HA THR 80 HA THR 80 -3.532 0.308 -4.114 702 HB THR 80 HB THR 80 -6.210 -0.511 -5.283 703 HG1 THR 80 HG1 THR 80 -6.070 -0.876 -2.643 704 HG21 THR 80 3HG2 THR 80 -5.786 -2.633 -4.145 705 HG22 THR 80 1HG2 THR 80 -4.238 -2.028 -3.557 706 HG23 THR 80 2HG2 THR 80 -4.490 -2.279 -5.286 707 H ARG 81 H ARG 81 -1.992 -0.426 -5.426 708 HA ARG 81 HA ARG 81 -2.518 -0.618 -8.335 709 HB2 ARG 81 3HB ARG 81 -0.110 -0.279 -8.678 710 HB3 ARG 81 2HB ARG 81 0.137 -0.178 -6.943 711 HG2 ARG 81 3HG ARG 81 0.214 2.027 -7.854 712 HG3 ARG 81 2HG ARG 81 -1.258 1.870 -6.896 713 HD2 ARG 81 3HD ARG 81 -1.318 1.399 -9.859 714 HD3 ARG 81 2HD ARG 81 -1.373 3.036 -9.208 715 HE ARG 81 HE ARG 81 -3.314 1.538 -7.896 716 HH11 ARG 81 1HH1 ARG 81 -2.669 2.611 -11.094 717 HH12 ARG 81 2HH1 ARG 81 -4.339 2.795 -11.489 718 HH21 ARG 81 2HH2 ARG 81 -5.907 2.333 -9.966 719 HH22 ARG 81 1HH2 ARG 81 -5.452 1.763 -8.397 720 H LYS 82 H LYS 82 -1.588 -2.423 -9.466 721 HA LYS 82 HA LYS 82 -1.026 -4.759 -7.743 722 HB2 LYS 82 3HB LYS 82 -1.834 -4.737 -10.664 723 HB3 LYS 82 2HB LYS 82 -2.969 -4.892 -9.330 724 HG2 LYS 82 3HG LYS 82 -2.043 -7.000 -8.682 725 HG3 LYS 82 2HG LYS 82 -0.705 -6.823 -9.819 726 HD2 LYS 82 3HD LYS 82 -3.612 -6.998 -10.631 727 HD3 LYS 82 2HD LYS 82 -2.504 -8.371 -10.599 728 HE2 LYS 82 3HE LYS 82 -1.076 -7.302 -12.249 729 HE3 LYS 82 2HE LYS 82 -2.104 -5.869 -12.240 730 HZ1 LYS 82 3HZ LYS 82 -2.516 -7.376 -14.128 731 HZ2 LYS 82 1HZ LYS 82 -3.890 -7.115 -13.174 732 HZ3 LYS 82 2HZ LYS 82 -3.031 -8.566 -13.046 733 H VAL 83 H VAL 83 0.982 -5.648 -7.747 734 HA VAL 83 HA VAL 83 2.783 -5.127 -10.013 735 HB VAL 83 HB VAL 83 4.661 -4.605 -8.469 736 HG11 VAL 83 1HG1 VAL 83 4.009 -2.290 -8.012 737 HG12 VAL 83 2HG1 VAL 83 2.317 -2.709 -8.281 738 HG13 VAL 83 3HG1 VAL 83 3.471 -2.803 -9.611 739 HG21 VAL 83 3HG2 VAL 83 2.494 -4.434 -6.366 740 HG22 VAL 83 1HG2 VAL 83 4.170 -3.921 -6.157 741 HG23 VAL 83 2HG2 VAL 83 3.795 -5.623 -6.427 742 H THR 84 H THR 84 4.138 -6.754 -10.522 743 HA THR 84 HA THR 84 4.451 -9.007 -8.627 744 HB THR 84 HB THR 84 4.756 -10.506 -10.573 745 HG1 THR 84 HG1 THR 84 5.222 -9.507 -12.387 746 HG21 THR 84 3HG2 THR 84 2.402 -10.534 -11.342 747 HG22 THR 84 1HG2 THR 84 2.157 -8.954 -10.599 748 HG23 THR 84 2HG2 THR 84 2.532 -10.353 -9.593 749 H SER 85 H SER 85 5.980 -6.913 -11.003 750 HA SER 85 HA SER 85 8.645 -7.955 -10.377 751 HB2 SER 85 3HB SER 85 9.436 -6.333 -12.089 752 HB3 SER 85 2HB SER 85 7.780 -5.757 -12.283 753 HG SER 85 HG SER 85 8.982 -7.948 -13.345 754 HA PRO 86 HA PRO 86 9.466 -5.081 -7.162 755 HB2 PRO 86 2HB PRO 86 12.165 -4.691 -7.425 756 HB3 PRO 86 3HB PRO 86 11.444 -6.166 -6.768 757 HG2 PRO 86 3HG PRO 86 12.688 -7.061 -8.520 758 HG3 PRO 86 2HG PRO 86 12.455 -5.626 -9.538 759 HD2 PRO 86 3HD PRO 86 10.577 -7.897 -8.999 760 HD3 PRO 86 2HD PRO 86 10.859 -7.000 -10.505 761 H ASP 87 H ASP 87 11.117 -4.087 -10.205 762 HA ASP 87 HA ASP 87 11.358 -1.371 -9.509 763 HB2 ASP 87 3HB ASP 87 11.639 -1.002 -11.993 764 HB3 ASP 87 2HB ASP 87 11.316 -2.722 -12.207 765 H GLU 88 H GLU 88 8.643 -3.133 -10.832 766 HA GLU 88 HA GLU 88 7.062 -0.937 -11.608 767 HB2 GLU 88 3HB GLU 88 5.121 -2.471 -11.177 768 HB3 GLU 88 2HB GLU 88 6.251 -3.634 -10.497 769 HG2 GLU 88 3HG GLU 88 5.671 -4.194 -12.791 770 HG3 GLU 88 2HG GLU 88 7.386 -3.821 -12.637 771 H ALA 89 H ALA 89 7.123 -2.722 -8.501 772 HA ALA 89 HA ALA 89 5.409 -1.053 -7.057 773 HB1 ALA 89 3HB ALA 89 6.470 -1.975 -5.041 774 HB2 ALA 89 1HB ALA 89 7.777 -2.628 -6.028 775 HB3 ALA 89 2HB ALA 89 6.133 -3.234 -6.229 776 H LYS 90 H LYS 90 8.953 -0.900 -7.375 777 HA LYS 90 HA LYS 90 9.515 1.326 -5.827 778 HB2 LYS 90 3HB LYS 90 11.473 1.653 -7.377 779 HB3 LYS 90 2HB LYS 90 10.781 0.421 -8.425 780 HG2 LYS 90 3HG LYS 90 10.874 -1.140 -6.421 781 HG3 LYS 90 2HG LYS 90 11.863 0.091 -5.634 782 HD2 LYS 90 3HD LYS 90 12.501 -1.362 -8.204 783 HD3 LYS 90 2HD LYS 90 13.288 -1.589 -6.650 784 HE2 LYS 90 3HE LYS 90 14.119 0.712 -6.727 785 HE3 LYS 90 2HE LYS 90 13.344 0.936 -8.297 786 HZ1 LYS 90 3HZ LYS 90 15.644 0.423 -8.614 787 HZ2 LYS 90 1HZ LYS 90 14.722 -0.890 -9.151 788 HZ3 LYS 90 2HZ LYS 90 15.525 -0.972 -7.662 789 H ARG 91 H ARG 91 8.570 1.265 -9.267 790 HA ARG 91 HA ARG 91 8.622 4.065 -9.660 791 HB2 ARG 91 3HB ARG 91 7.043 1.924 -11.112 792 HB3 ARG 91 2HB ARG 91 8.636 2.530 -11.554 793 HG2 ARG 91 3HG ARG 91 7.694 4.726 -12.030 794 HG3 ARG 91 2HG ARG 91 6.099 4.162 -11.532 795 HD2 ARG 91 3HD ARG 91 6.142 2.497 -13.358 796 HD3 ARG 91 2HD ARG 91 7.697 3.146 -13.882 797 HE ARG 91 HE ARG 91 6.568 5.218 -14.412 798 HH11 ARG 91 1HH1 ARG 91 4.535 2.488 -13.854 799 HH12 ARG 91 2HH1 ARG 91 3.182 3.210 -14.660 800 HH21 ARG 91 2HH2 ARG 91 3.348 5.220 -15.555 801 HH22 ARG 91 1HH2 ARG 91 4.830 6.111 -15.446 802 H TRP 92 H TRP 92 5.958 1.855 -8.807 803 HA TRP 92 HA TRP 92 3.916 3.796 -8.871 804 HB2 TRP 92 3HB TRP 92 2.685 2.089 -7.377 805 HB3 TRP 92 2HB TRP 92 4.120 1.085 -7.576 806 HD1 TRP 92 HD1 TRP 92 3.887 -0.576 -9.543 807 HE1 TRP 92 HE1 TRP 92 2.607 -0.625 -11.780 808 HE3 TRP 92 HE3 TRP 92 1.686 4.020 -9.306 809 HZ2 TRP 92 HZ2 TRP 92 0.896 1.072 -13.247 810 HZ3 TRP 92 HZ3 TRP 92 0.245 4.738 -11.156 811 HH2 TRP 92 HH2 TRP 92 -0.143 3.295 -13.094 812 H ILE 93 H ILE 93 5.981 2.718 -6.179 813 HA ILE 93 HA ILE 93 4.749 4.250 -4.164 814 HB ILE 93 HB ILE 93 7.656 3.454 -4.457 815 HG12 ILE 93 3HG1 ILE 93 6.109 1.554 -4.280 816 HG13 ILE 93 2HG1 ILE 93 5.376 2.261 -2.844 817 HG21 ILE 93 1HG2 ILE 93 7.512 5.377 -2.972 818 HG22 ILE 93 2HG2 ILE 93 7.864 3.924 -2.040 819 HG23 ILE 93 3HG2 ILE 93 6.233 4.596 -2.041 820 HD11 ILE 93 3HD1 ILE 93 8.216 1.297 -3.071 821 HD12 ILE 93 1HD1 ILE 93 6.890 0.462 -2.261 822 HD13 ILE 93 2HD1 ILE 93 7.476 2.003 -1.634 823 H LYS 94 H LYS 94 7.265 5.085 -6.528 824 HA LYS 94 HA LYS 94 7.616 7.753 -5.606 825 HB2 LYS 94 3HB LYS 94 8.160 6.666 -8.378 826 HB3 LYS 94 2HB LYS 94 9.272 6.553 -7.019 827 HG2 LYS 94 3HG LYS 94 9.278 9.046 -6.899 828 HG3 LYS 94 2HG LYS 94 8.310 9.070 -8.375 829 HD2 LYS 94 3HD LYS 94 10.064 8.045 -9.637 830 HD3 LYS 94 2HD LYS 94 11.001 7.727 -8.176 831 HE2 LYS 94 3HE LYS 94 11.258 10.137 -7.812 832 HE3 LYS 94 2HE LYS 94 10.324 10.459 -9.272 833 HZ1 LYS 94 3HZ LYS 94 12.892 8.970 -9.210 834 HZ2 LYS 94 1HZ LYS 94 12.729 10.604 -9.622 835 HZ3 LYS 94 2HZ LYS 94 12.015 9.412 -10.585 836 H GLU 95 H GLU 95 5.522 6.329 -8.118 837 HA GLU 95 HA GLU 95 4.401 8.642 -9.187 838 HB2 GLU 95 3HB GLU 95 2.328 7.214 -9.551 839 HB3 GLU 95 2HB GLU 95 3.142 5.938 -8.659 840 HG2 GLU 95 3HG GLU 95 3.372 5.518 -11.002 841 HG3 GLU 95 2HG GLU 95 4.949 5.955 -10.346 842 H PHE 96 H PHE 96 3.372 6.764 -6.373 843 HA PHE 96 HA PHE 96 1.216 8.342 -5.544 844 HB2 PHE 96 3HB PHE 96 3.124 6.660 -3.899 845 HB3 PHE 96 2HB PHE 96 1.690 6.072 -4.728 846 HD1 PHE 96 HD1 PHE 96 2.975 7.217 -1.667 847 HD2 PHE 96 HD2 PHE 96 -0.563 7.219 -4.042 848 HE1 PHE 96 HE1 PHE 96 1.625 7.621 0.347 849 HE2 PHE 96 HE2 PHE 96 -1.914 7.619 -2.030 850 HZ PHE 96 HZ PHE 96 -0.819 7.819 0.166 851 H SER 97 H SER 97 4.644 8.467 -4.512 852 HA SER 97 HA SER 97 4.322 10.683 -2.763 853 HB2 SER 97 3HB SER 97 6.256 9.197 -2.559 854 HB3 SER 97 2HB SER 97 6.796 10.853 -2.827 855 HG SER 97 HG SER 97 7.444 10.346 -4.830 856 H GLU 98 H GLU 98 4.718 10.459 -6.214 857 HA GLU 98 HA GLU 98 5.308 13.268 -6.566 858 HB2 GLU 98 3HB GLU 98 4.856 12.770 -9.004 859 HB3 GLU 98 2HB GLU 98 4.533 11.106 -8.536 860 HG2 GLU 98 3HG GLU 98 6.781 11.296 -9.378 861 HG3 GLU 98 2HG GLU 98 6.824 10.925 -7.656 862 H GLU 99 H GLU 99 2.412 11.254 -6.520 863 HA GLU 99 HA GLU 99 0.582 13.186 -7.510 864 HB2 GLU 99 3HB GLU 99 -1.156 11.897 -6.238 865 HB3 GLU 99 2HB GLU 99 0.128 10.921 -5.543 866 HG2 GLU 99 3HG GLU 99 0.683 9.999 -7.688 867 HG3 GLU 99 2HG GLU 99 -0.445 11.090 -8.494 868 H GLY 100 H GLY 100 1.285 12.223 -4.147 869 HA2 GLY 100 3HA GLY 100 0.981 14.922 -3.166 870 HA3 GLY 100 2HA GLY 100 1.287 13.486 -2.204 871 H GLY 101 H GLY 101 -1.376 14.269 -4.425 872 HA2 GLY 101 3HA GLY 101 -3.264 14.069 -2.149 873 HA3 GLY 101 2HA GLY 101 -3.572 13.254 -3.676 874 H SER 102 H SER 102 -4.162 16.009 -1.891 875 HA SER 102 HA SER 102 -5.432 17.352 -4.122 876 HB2 SER 102 3HB SER 102 -6.182 18.991 -2.399 877 HB3 SER 102 2HB SER 102 -5.222 18.131 -1.196 878 HG SER 102 HG SER 102 -7.695 17.609 -2.013 879 H LEU 103 H LEU 103 -2.386 17.157 -3.755 880 HA LEU 103 HA LEU 103 -1.547 19.908 -3.466 881 HB2 LEU 103 3HB LEU 103 0.709 19.043 -3.869 882 HB3 LEU 103 2HB LEU 103 0.047 17.479 -4.309 883 HG LEU 103 HG LEU 103 -0.707 17.100 -2.035 884 HD11 LEU 103 1HD1 LEU 103 1.449 17.026 -0.877 885 HD12 LEU 103 2HD1 LEU 103 2.141 18.098 -2.095 886 HD13 LEU 103 3HD1 LEU 103 1.589 16.486 -2.550 887 HD21 LEU 103 3HD2 LEU 103 -0.255 18.703 -0.236 888 HD22 LEU 103 1HD2 LEU 103 -1.336 19.386 -1.450 889 HD23 LEU 103 2HD2 LEU 103 0.363 19.858 -1.417 890 H GLU 104 H GLU 104 -1.085 17.530 -6.137 891 HA GLU 104 HA GLU 104 -0.630 19.516 -8.122 892 HB2 GLU 104 3HB GLU 104 -1.038 17.685 -9.762 893 HB3 GLU 104 2HB GLU 104 -1.565 16.650 -8.446 894 HG2 GLU 104 3HG GLU 104 0.632 16.628 -7.492 895 HG3 GLU 104 2HG GLU 104 1.195 17.829 -8.654 896 H HIS 105 H HIS 105 -3.334 17.230 -8.191 897 HA HIS 105 HA HIS 105 -5.010 19.263 -9.451 898 HB2 HIS 105 3HB HIS 105 -6.509 17.340 -9.964 899 HB3 HIS 105 2HB HIS 105 -5.401 16.274 -9.104 900 HD1 HIS 105 HD1 HIS 105 -3.296 15.509 -10.344 901 HD2 HIS 105 HD2 HIS 105 -5.534 18.307 -12.450 902 HE1 HIS 105 HE1 HIS 105 -2.303 15.571 -12.642 903 HE2 HIS 105 HE2 HIS 105 -3.542 17.410 -13.830 904 H HIS 106 H HIS 106 -6.397 20.411 -8.244 905 HA HIS 106 HA HIS 106 -6.975 19.697 -5.528 906 HB2 HIS 106 3HB HIS 106 -8.397 21.723 -5.519 907 HB3 HIS 106 2HB HIS 106 -8.176 21.873 -7.260 908 HD1 HIS 106 HD1 HIS 106 -6.494 23.609 -7.798 909 HD2 HIS 106 HD2 HIS 106 -5.576 21.622 -4.266 910 HE1 HIS 106 HE1 HIS 106 -4.371 24.655 -6.970 911 HE2 HIS 106 HE2 HIS 106 -3.724 23.291 -4.960 912 H HIS 107 H HIS 107 -7.858 17.595 -5.924 913 HA HIS 107 HA HIS 107 -10.117 17.074 -7.517 914 HB2 HIS 107 3HB HIS 107 -8.905 15.542 -5.204 915 HB3 HIS 107 2HB HIS 107 -8.582 15.308 -6.917 916 HD1 HIS 107 HD1 HIS 107 -10.648 14.323 -8.348 917 HD2 HIS 107 HD2 HIS 107 -10.956 14.024 -4.212 918 HE1 HIS 107 HE1 HIS 107 -12.406 12.586 -7.923 919 HE2 HIS 107 HE2 HIS 107 -12.508 12.346 -5.426 920 H HIS 108 H HIS 108 -12.146 17.739 -7.216 921 HA HIS 108 HA HIS 108 -13.246 18.682 -4.801 922 HB2 HIS 108 3HB HIS 108 -14.618 17.585 -7.277 923 HB3 HIS 108 2HB HIS 108 -14.236 19.270 -6.948 924 HD1 HIS 108 HD1 HIS 108 -16.689 16.582 -6.111 925 HD2 HIS 108 HD2 HIS 108 -15.992 20.572 -5.167 926 HE1 HIS 108 HE1 HIS 108 -18.776 17.378 -4.965 927 HE2 HIS 108 HE2 HIS 108 -18.278 19.743 -4.277 928 H HIS 109 H HIS 109 -12.878 17.231 -3.128 929 HA HIS 109 HA HIS 109 -13.691 14.454 -3.365 930 HB2 HIS 109 3HB HIS 109 -11.646 15.044 -2.121 931 HB3 HIS 109 2HB HIS 109 -12.803 14.194 -1.102 932 HD1 HIS 109 HD1 HIS 109 -14.202 15.775 0.605 933 HD2 HIS 109 HD2 HIS 109 -10.833 17.472 -1.150 934 HE1 HIS 109 HE1 HIS 109 -13.653 17.782 2.006 935 HE2 HIS 109 HE2 HIS 109 -11.749 18.898 0.804 936 H HIS 110 H HIS 110 -15.167 13.409 -1.940 937 HA HIS 110 HA HIS 110 -17.653 14.311 -1.434 938 HB2 HIS 110 3HB HIS 110 -17.240 12.046 -0.957 939 HB3 HIS 110 2HB HIS 110 -17.606 12.736 0.621 940 HD1 HIS 110 HD1 HIS 110 -15.523 13.124 2.241 941 HD2 HIS 110 HD2 HIS 110 -14.727 10.938 -1.206 942 HE1 HIS 110 HE1 HIS 110 -13.300 12.024 2.639 943 HE2 HIS 110 HE2 HIS 110 -12.788 10.787 0.503 Start of MODEL 15 1 H1 MET 1 1H MET 1 0.324 17.169 4.310 2 H2 MET 1 2H MET 1 -0.652 16.920 5.666 3 H3 MET 1 3H MET 1 -1.172 17.949 4.430 4 HA MET 1 HA MET 1 -2.334 15.849 4.325 5 HB2 MET 1 3HB MET 1 -0.344 16.090 2.051 6 HB3 MET 1 2HB MET 1 -1.729 17.154 2.250 7 HG2 MET 1 3HG MET 1 -1.915 14.166 1.928 8 HG3 MET 1 2HG MET 1 -2.092 15.334 0.617 9 HE1 MET 1 3HE MET 1 -5.757 14.003 1.243 10 HE2 MET 1 1HE MET 1 -4.254 13.090 1.374 11 HE3 MET 1 2HE MET 1 -4.486 14.218 0.038 12 H LEU 2 H LEU 2 -2.207 13.839 5.134 13 HA LEU 2 HA LEU 2 0.335 12.654 5.752 14 HB2 LEU 2 3HB LEU 2 -0.957 10.877 6.809 15 HB3 LEU 2 2HB LEU 2 -2.433 11.484 6.089 16 HG LEU 2 HG LEU 2 -0.885 13.306 7.894 17 HD11 LEU 2 1HD1 LEU 2 -3.125 14.093 8.497 18 HD12 LEU 2 2HD1 LEU 2 -3.832 12.901 7.406 19 HD13 LEU 2 3HD1 LEU 2 -2.825 14.199 6.765 20 HD21 LEU 2 3HD2 LEU 2 -1.975 12.394 9.876 21 HD22 LEU 2 1HD2 LEU 2 -0.937 11.183 9.121 22 HD23 LEU 2 2HD2 LEU 2 -2.687 11.102 8.908 23 H LEU 3 H LEU 3 1.290 10.842 4.892 24 HA LEU 3 HA LEU 3 0.012 9.521 2.581 25 HB2 LEU 3 3HB LEU 3 2.213 9.569 1.397 26 HB3 LEU 3 2HB LEU 3 2.834 10.615 2.659 27 HG LEU 3 HG LEU 3 1.125 12.324 2.019 28 HD11 LEU 3 1HD1 LEU 3 3.426 12.423 1.151 29 HD12 LEU 3 2HD1 LEU 3 2.258 13.061 -0.002 30 HD13 LEU 3 3HD1 LEU 3 2.938 11.451 -0.237 31 HD21 LEU 3 3HD2 LEU 3 0.587 10.427 -0.267 32 HD22 LEU 3 1HD2 LEU 3 -0.027 12.078 -0.132 33 HD23 LEU 3 2HD2 LEU 3 -0.532 10.851 1.030 34 H TYR 4 H TYR 4 0.087 7.352 2.763 35 HA TYR 4 HA TYR 4 2.284 6.083 4.269 36 HB2 TYR 4 3HB TYR 4 0.657 4.536 5.339 37 HB3 TYR 4 2HB TYR 4 -0.663 5.457 4.625 38 HD1 TYR 4 HD1 TYR 4 -1.190 7.713 5.435 39 HD2 TYR 4 HD2 TYR 4 1.859 5.375 7.269 40 HE1 TYR 4 HE1 TYR 4 -1.230 9.202 7.386 41 HE2 TYR 4 HE2 TYR 4 1.826 6.865 9.223 42 HH TYR 4 HH TYR 4 1.185 9.249 9.702 43 H VAL 5 H VAL 5 2.593 3.795 3.794 44 HA VAL 5 HA VAL 5 1.408 2.915 1.231 45 HB VAL 5 HB VAL 5 4.330 2.619 2.000 46 HG11 VAL 5 1HG1 VAL 5 3.505 0.716 0.696 47 HG12 VAL 5 2HG1 VAL 5 4.628 1.693 -0.248 48 HG13 VAL 5 3HG1 VAL 5 2.892 1.817 -0.538 49 HG21 VAL 5 3HG2 VAL 5 3.791 4.922 1.368 50 HG22 VAL 5 1HG2 VAL 5 3.057 4.349 -0.129 51 HG23 VAL 5 2HG2 VAL 5 4.789 4.148 0.137 52 H LEU 6 H LEU 6 0.606 0.894 1.265 53 HA LEU 6 HA LEU 6 1.527 -1.003 3.342 54 HB2 LEU 6 3HB LEU 6 -0.693 -2.109 3.064 55 HB3 LEU 6 2HB LEU 6 -1.165 -0.822 1.970 56 HG LEU 6 HG LEU 6 -0.986 0.812 3.809 57 HD11 LEU 6 1HD1 LEU 6 -2.721 -1.577 4.463 58 HD12 LEU 6 2HD1 LEU 6 -3.140 -0.249 3.377 59 HD13 LEU 6 3HD1 LEU 6 -2.928 0.055 5.101 60 HD21 LEU 6 3HD2 LEU 6 0.752 -0.291 5.122 61 HD22 LEU 6 1HD2 LEU 6 -0.363 -1.597 5.525 62 HD23 LEU 6 2HD2 LEU 6 -0.668 0.037 6.114 63 H ILE 7 H ILE 7 2.589 -2.755 2.592 64 HA ILE 7 HA ILE 7 2.281 -3.431 -0.269 65 HB ILE 7 HB ILE 7 4.512 -2.630 0.173 66 HG12 ILE 7 3HG1 ILE 7 4.285 -4.457 -1.448 67 HG13 ILE 7 2HG1 ILE 7 4.470 -5.644 -0.162 68 HG21 ILE 7 1HG2 ILE 7 4.606 -3.064 2.575 69 HG22 ILE 7 2HG2 ILE 7 6.024 -3.710 1.752 70 HG23 ILE 7 3HG2 ILE 7 4.733 -4.796 2.265 71 HD11 ILE 7 3HD1 ILE 7 6.561 -3.683 -1.064 72 HD12 ILE 7 1HD1 ILE 7 6.513 -5.407 -1.426 73 HD13 ILE 7 2HD1 ILE 7 6.748 -4.862 0.234 74 H ILE 8 H ILE 8 1.503 -5.362 -0.788 75 HA ILE 8 HA ILE 8 1.527 -7.542 1.216 76 HB ILE 8 HB ILE 8 -0.458 -7.150 -1.044 77 HG12 ILE 8 3HG1 ILE 8 -0.666 -5.410 0.737 78 HG13 ILE 8 2HG1 ILE 8 -0.865 -6.692 1.927 79 HG21 ILE 8 1HG2 ILE 8 -1.736 -8.926 0.084 80 HG22 ILE 8 2HG2 ILE 8 -0.431 -9.111 1.257 81 HG23 ILE 8 3HG2 ILE 8 -0.149 -9.487 -0.444 82 HD11 ILE 8 3HD1 ILE 8 -2.921 -7.405 0.838 83 HD12 ILE 8 1HD1 ILE 8 -2.718 -6.143 -0.377 84 HD13 ILE 8 2HD1 ILE 8 -2.993 -5.708 1.308 85 H SER 9 H SER 9 3.240 -8.818 0.630 86 HA SER 9 HA SER 9 3.125 -10.224 -1.877 87 HB2 SER 9 3HB SER 9 5.490 -8.393 -1.374 88 HB3 SER 9 2HB SER 9 4.292 -8.225 -2.661 89 HG SER 9 HG SER 9 5.592 -9.446 -3.771 90 H ASN 10 H ASN 10 4.639 -11.958 -2.039 91 HA ASN 10 HA ASN 10 5.762 -12.830 0.550 92 HB2 ASN 10 3HB ASN 10 5.693 -15.105 -0.401 93 HB3 ASN 10 2HB ASN 10 5.067 -14.457 -1.916 94 HD21 ASN 10 2HD2 ASN 10 1.796 -14.063 -0.757 95 HD22 ASN 10 1HD2 ASN 10 2.953 -13.633 -1.964 96 H ASP 11 H ASP 11 6.678 -11.401 -2.287 97 HA ASP 11 HA ASP 11 9.205 -12.811 -2.638 98 HB2 ASP 11 3HB ASP 11 8.195 -10.331 -4.062 99 HB3 ASP 11 2HB ASP 11 7.826 -11.972 -4.577 100 H LYS 12 H LYS 12 10.714 -12.362 -1.114 101 HA LYS 12 HA LYS 12 10.761 -10.075 0.507 102 HB2 LYS 12 3HB LYS 12 13.163 -10.841 1.024 103 HB3 LYS 12 2HB LYS 12 12.842 -12.171 -0.079 104 HG2 LYS 12 3HG LYS 12 12.473 -12.839 2.233 105 HG3 LYS 12 2HG LYS 12 10.965 -12.890 1.316 106 HD2 LYS 12 3HD LYS 12 10.268 -10.766 2.267 107 HD3 LYS 12 2HD LYS 12 11.811 -10.604 3.107 108 HE2 LYS 12 3HE LYS 12 9.795 -12.798 3.592 109 HE3 LYS 12 2HE LYS 12 9.991 -11.361 4.592 110 HZ1 LYS 12 3HZ LYS 12 12.023 -13.478 4.154 111 HZ2 LYS 12 1HZ LYS 12 11.147 -13.200 5.571 112 HZ3 LYS 12 2HZ LYS 12 12.283 -12.065 5.040 113 H LYS 13 H LYS 13 12.153 -10.545 -2.658 114 HA LYS 13 HA LYS 13 14.053 -8.400 -2.481 115 HB2 LYS 13 3HB LYS 13 14.134 -8.576 -4.979 116 HB3 LYS 13 2HB LYS 13 12.842 -9.765 -4.902 117 HG2 LYS 13 3HG LYS 13 15.504 -10.122 -3.532 118 HG3 LYS 13 2HG LYS 13 15.165 -10.690 -5.169 119 HD2 LYS 13 3HD LYS 13 13.372 -12.121 -4.320 120 HD3 LYS 13 2HD LYS 13 13.668 -11.536 -2.681 121 HE2 LYS 13 3HE LYS 13 15.645 -13.045 -4.391 122 HE3 LYS 13 2HE LYS 13 14.703 -13.726 -3.066 123 HZ1 LYS 13 3HZ LYS 13 16.701 -11.545 -2.798 124 HZ2 LYS 13 1HZ LYS 13 16.950 -13.162 -2.374 125 HZ3 LYS 13 2HZ LYS 13 15.813 -12.235 -1.536 126 H LEU 14 H LEU 14 10.814 -8.761 -3.848 127 HA LEU 14 HA LEU 14 10.428 -6.115 -4.708 128 HB2 LEU 14 3HB LEU 14 8.292 -7.977 -3.648 129 HB3 LEU 14 2HB LEU 14 9.045 -8.189 -5.214 130 HG LEU 14 HG LEU 14 8.198 -5.804 -5.743 131 HD11 LEU 14 1HD1 LEU 14 6.241 -8.075 -5.385 132 HD12 LEU 14 2HD1 LEU 14 7.309 -7.833 -6.767 133 HD13 LEU 14 3HD1 LEU 14 6.021 -6.678 -6.437 134 HD21 LEU 14 3HD2 LEU 14 6.170 -5.137 -4.532 135 HD22 LEU 14 1HD2 LEU 14 7.581 -5.141 -3.477 136 HD23 LEU 14 2HD2 LEU 14 6.414 -6.460 -3.392 137 H ILE 15 H ILE 15 9.757 -7.692 -1.596 138 HA ILE 15 HA ILE 15 8.584 -5.521 -0.258 139 HB ILE 15 HB ILE 15 10.258 -7.771 0.889 140 HG12 ILE 15 3HG1 ILE 15 8.250 -8.520 -0.355 141 HG13 ILE 15 2HG1 ILE 15 7.246 -7.468 0.640 142 HG21 ILE 15 1HG2 ILE 15 10.138 -5.911 2.466 143 HG22 ILE 15 2HG2 ILE 15 9.164 -7.265 3.036 144 HG23 ILE 15 3HG2 ILE 15 8.381 -5.866 2.303 145 HD11 ILE 15 3HD1 ILE 15 7.815 -8.760 2.613 146 HD12 ILE 15 1HD1 ILE 15 8.855 -9.801 1.639 147 HD13 ILE 15 2HD1 ILE 15 7.114 -9.784 1.358 148 H GLU 16 H GLU 16 12.024 -6.506 -0.407 149 HA GLU 16 HA GLU 16 12.996 -4.421 1.227 150 HB2 GLU 16 3HB GLU 16 15.203 -4.862 0.032 151 HB3 GLU 16 2HB GLU 16 14.341 -6.061 -0.924 152 HG2 GLU 16 3HG GLU 16 13.850 -7.359 1.040 153 HG3 GLU 16 2HG GLU 16 14.529 -6.109 2.084 154 H GLU 17 H GLU 17 12.872 -4.641 -2.348 155 HA GLU 17 HA GLU 17 14.013 -2.149 -2.881 156 HB2 GLU 17 3HB GLU 17 12.756 -2.346 -5.103 157 HB3 GLU 17 2HB GLU 17 12.114 -3.860 -4.476 158 HG2 GLU 17 3HG GLU 17 14.071 -4.201 -5.913 159 HG3 GLU 17 2HG GLU 17 14.354 -4.762 -4.265 160 H ALA 18 H ALA 18 10.652 -2.953 -2.163 161 HA ALA 18 HA ALA 18 9.524 -0.421 -2.685 162 HB1 ALA 18 3HB ALA 18 7.695 -1.117 -1.242 163 HB2 ALA 18 1HB ALA 18 8.683 -2.418 -0.575 164 HB3 ALA 18 2HB ALA 18 8.195 -2.461 -2.269 165 H ARG 19 H ARG 19 11.008 -1.772 0.253 166 HA ARG 19 HA ARG 19 10.652 0.389 1.987 167 HB2 ARG 19 3HB ARG 19 12.816 -0.506 3.068 168 HB3 ARG 19 2HB ARG 19 12.787 -1.732 1.808 169 HG2 ARG 19 3HG ARG 19 10.464 -2.326 2.597 170 HG3 ARG 19 2HG ARG 19 10.754 -1.265 3.977 171 HD2 ARG 19 3HD ARG 19 12.078 -3.857 3.271 172 HD3 ARG 19 2HD ARG 19 11.336 -3.366 4.791 173 HE ARG 19 HE ARG 19 14.037 -2.842 3.915 174 HH11 ARG 19 1HH1 ARG 19 11.547 -1.845 6.093 175 HH12 ARG 19 2HH1 ARG 19 12.676 -1.278 7.275 176 HH21 ARG 19 2HH2 ARG 19 14.849 -1.418 6.909 177 HH22 ARG 19 1HH2 ARG 19 15.448 -2.097 5.438 178 H LYS 20 H LYS 20 13.327 -0.204 -0.307 179 HA LYS 20 HA LYS 20 14.966 1.949 0.368 180 HB2 LYS 20 3HB LYS 20 15.609 1.900 -2.146 181 HB3 LYS 20 2HB LYS 20 14.501 0.542 -2.254 182 HG2 LYS 20 3HG LYS 20 16.934 0.680 -0.469 183 HG3 LYS 20 2HG LYS 20 16.830 -0.178 -2.006 184 HD2 LYS 20 3HD LYS 20 14.951 -1.526 -1.019 185 HD3 LYS 20 2HD LYS 20 15.329 -0.787 0.537 186 HE2 LYS 20 3HE LYS 20 16.377 -2.976 0.343 187 HE3 LYS 20 2HE LYS 20 17.597 -1.706 0.426 188 HZ1 LYS 20 3HZ LYS 20 18.001 -3.458 -1.282 189 HZ2 LYS 20 1HZ LYS 20 17.993 -1.882 -1.890 190 HZ3 LYS 20 2HZ LYS 20 16.656 -2.887 -2.128 191 H MET 21 H MET 21 12.365 1.890 -2.077 192 HA MET 21 HA MET 21 12.519 4.626 -2.752 193 HB2 MET 21 3HB MET 21 10.082 4.250 -3.504 194 HB3 MET 21 2HB MET 21 10.318 2.581 -3.001 195 HG2 MET 21 3HG MET 21 10.683 2.804 -5.373 196 HG3 MET 21 2HG MET 21 12.194 2.385 -4.566 197 HE1 MET 21 3HE MET 21 10.512 5.938 -4.492 198 HE2 MET 21 1HE MET 21 10.072 5.332 -6.091 199 HE3 MET 21 2HE MET 21 11.198 6.681 -5.937 200 H ALA 22 H ALA 22 10.597 2.931 -0.295 201 HA ALA 22 HA ALA 22 9.053 5.100 0.584 202 HB1 ALA 22 3HB ALA 22 10.090 2.773 2.212 203 HB2 ALA 22 1HB ALA 22 8.609 2.788 1.256 204 HB3 ALA 22 2HB ALA 22 8.758 3.841 2.663 205 H GLU 23 H GLU 23 12.358 4.166 1.371 206 HA GLU 23 HA GLU 23 12.734 6.144 3.409 207 HB2 GLU 23 3HB GLU 23 15.131 5.600 3.196 208 HB3 GLU 23 2HB GLU 23 14.786 4.655 1.755 209 HG2 GLU 23 3HG GLU 23 15.087 3.215 3.681 210 HG3 GLU 23 2HG GLU 23 13.434 3.112 3.083 211 H LYS 24 H LYS 24 13.547 5.975 -0.060 212 HA LYS 24 HA LYS 24 14.851 8.475 -0.221 213 HB2 LYS 24 3HB LYS 24 14.503 8.345 -2.641 214 HB3 LYS 24 2HB LYS 24 13.296 7.086 -2.421 215 HG2 LYS 24 3HG LYS 24 15.508 6.255 -3.184 216 HG3 LYS 24 2HG LYS 24 14.940 5.523 -1.685 217 HD2 LYS 24 3HD LYS 24 17.307 6.031 -1.518 218 HD3 LYS 24 2HD LYS 24 16.384 7.032 -0.398 219 HE2 LYS 24 3HE LYS 24 16.499 8.905 -2.000 220 HE3 LYS 24 2HE LYS 24 17.468 7.902 -3.079 221 HZ1 LYS 24 3HZ LYS 24 18.227 8.767 -0.341 222 HZ2 LYS 24 1HZ LYS 24 18.874 9.343 -1.792 223 HZ3 LYS 24 2HZ LYS 24 19.146 7.744 -1.325 224 H ALA 25 H ALA 25 11.464 7.601 -0.299 225 HA ALA 25 HA ALA 25 10.633 10.362 -0.818 226 HB1 ALA 25 3HB ALA 25 8.352 9.442 -0.820 227 HB2 ALA 25 1HB ALA 25 8.996 7.859 -0.382 228 HB3 ALA 25 2HB ALA 25 9.407 8.579 -1.940 229 H ASN 26 H ASN 26 11.450 8.438 1.809 230 HA ASN 26 HA ASN 26 11.357 8.651 4.054 231 HB2 ASN 26 3HB ASN 26 11.006 10.877 5.016 232 HB3 ASN 26 2HB ASN 26 10.351 11.452 3.483 233 HD21 ASN 26 2HD2 ASN 26 14.352 11.008 3.988 234 HD22 ASN 26 1HD2 ASN 26 13.227 10.350 5.121 235 H LEU 27 H LEU 27 8.913 7.854 2.446 236 HA LEU 27 HA LEU 27 6.692 8.634 4.159 237 HB2 LEU 27 3HB LEU 27 5.322 7.268 2.618 238 HB3 LEU 27 2HB LEU 27 6.783 6.770 1.782 239 HG LEU 27 HG LEU 27 7.182 9.056 1.035 240 HD11 LEU 27 1HD1 LEU 27 5.798 7.637 -0.370 241 HD12 LEU 27 2HD1 LEU 27 5.278 9.318 -0.474 242 HD13 LEU 27 3HD1 LEU 27 4.350 8.165 0.488 243 HD21 LEU 27 3HD2 LEU 27 4.657 9.753 2.537 244 HD22 LEU 27 1HD2 LEU 27 5.527 10.830 1.441 245 HD23 LEU 27 2HD2 LEU 27 6.292 10.282 2.932 246 H GLU 28 H GLU 28 5.311 7.079 5.209 247 HA GLU 28 HA GLU 28 6.835 5.007 6.550 248 HB2 GLU 28 3HB GLU 28 4.843 4.808 7.996 249 HB3 GLU 28 2HB GLU 28 3.975 5.925 6.948 250 HG2 GLU 28 3HG GLU 28 5.576 7.692 7.495 251 HG3 GLU 28 2HG GLU 28 6.457 6.575 8.535 252 H LEU 29 H LEU 29 6.959 3.006 5.780 253 HA LEU 29 HA LEU 29 4.742 1.928 4.149 254 HB2 LEU 29 3HB LEU 29 7.694 1.258 4.100 255 HB3 LEU 29 2HB LEU 29 6.841 2.235 2.925 256 HG LEU 29 HG LEU 29 5.420 0.027 2.564 257 HD11 LEU 29 1HD1 LEU 29 6.766 1.107 0.850 258 HD12 LEU 29 2HD1 LEU 29 6.981 -0.642 0.795 259 HD13 LEU 29 3HD1 LEU 29 8.230 0.380 1.513 260 HD21 LEU 29 3HD2 LEU 29 6.791 -1.997 2.811 261 HD22 LEU 29 1HD2 LEU 29 6.451 -1.260 4.374 262 HD23 LEU 29 2HD2 LEU 29 8.037 -1.058 3.632 263 H ARG 30 H ARG 30 3.659 0.209 4.894 264 HA ARG 30 HA ARG 30 4.879 -1.453 7.016 265 HB2 ARG 30 3HB ARG 30 2.529 -1.833 7.831 266 HB3 ARG 30 2HB ARG 30 1.995 -0.599 6.701 267 HG2 ARG 30 3HG ARG 30 2.152 0.400 8.858 268 HG3 ARG 30 2HG ARG 30 3.475 1.035 7.879 269 HD2 ARG 30 3HD ARG 30 3.828 -1.301 9.751 270 HD3 ARG 30 2HD ARG 30 4.036 0.371 10.271 271 HE ARG 30 HE ARG 30 5.701 0.366 8.257 272 HH11 ARG 30 1HH1 ARG 30 5.233 -2.184 10.543 273 HH12 ARG 30 2HH1 ARG 30 6.887 -2.689 10.452 274 HH21 ARG 30 2HH2 ARG 30 8.306 -1.653 9.114 275 HH22 ARG 30 1HH2 ARG 30 7.785 -0.309 8.152 276 H THR 31 H THR 31 4.336 -3.702 7.013 277 HA THR 31 HA THR 31 3.721 -4.732 4.328 278 HB THR 31 HB THR 31 4.689 -6.870 5.152 279 HG1 THR 31 HG1 THR 31 5.233 -7.110 7.206 280 HG21 THR 31 3HG2 THR 31 6.440 -4.434 5.533 281 HG22 THR 31 1HG2 THR 31 6.159 -5.297 4.021 282 HG23 THR 31 2HG2 THR 31 7.031 -6.083 5.336 283 H VAL 32 H VAL 32 2.063 -6.110 3.900 284 HA VAL 32 HA VAL 32 0.323 -6.996 6.121 285 HB VAL 32 HB VAL 32 -0.596 -5.837 3.474 286 HG11 VAL 32 1HG1 VAL 32 -2.226 -7.008 5.733 287 HG12 VAL 32 2HG1 VAL 32 -2.020 -7.698 4.123 288 HG13 VAL 32 3HG1 VAL 32 -2.879 -6.173 4.324 289 HG21 VAL 32 3HG2 VAL 32 -1.671 -4.111 4.862 290 HG22 VAL 32 1HG2 VAL 32 0.084 -4.110 5.047 291 HG23 VAL 32 2HG2 VAL 32 -0.936 -4.825 6.296 292 H LYS 33 H LYS 33 -0.572 -9.054 5.902 293 HA LYS 33 HA LYS 33 0.045 -10.520 3.408 294 HB2 LYS 33 3HB LYS 33 0.183 -12.582 4.794 295 HB3 LYS 33 2HB LYS 33 -0.009 -11.596 6.237 296 HG2 LYS 33 3HG LYS 33 2.082 -10.437 5.740 297 HG3 LYS 33 2HG LYS 33 2.273 -11.400 4.272 298 HD2 LYS 33 3HD LYS 33 2.342 -13.449 5.647 299 HD3 LYS 33 2HD LYS 33 2.218 -12.458 7.103 300 HE2 LYS 33 3HE LYS 33 4.533 -13.100 6.677 301 HE3 LYS 33 2HE LYS 33 4.324 -11.355 6.547 302 HZ1 LYS 33 3HZ LYS 33 4.199 -11.636 4.117 303 HZ2 LYS 33 1HZ LYS 33 4.532 -13.282 4.296 304 HZ3 LYS 33 2HZ LYS 33 5.685 -12.129 4.751 305 H THR 34 H THR 34 -2.120 -10.820 6.260 306 HA THR 34 HA THR 34 -4.122 -12.141 4.581 307 HB THR 34 HB THR 34 -5.305 -12.667 6.636 308 HG1 THR 34 HG1 THR 34 -3.322 -11.535 8.259 309 HG21 THR 34 3HG2 THR 34 -2.329 -13.122 6.932 310 HG22 THR 34 1HG2 THR 34 -3.448 -14.138 6.020 311 HG23 THR 34 2HG2 THR 34 -3.592 -14.017 7.774 312 H GLU 35 H GLU 35 -6.472 -11.628 5.103 313 HA GLU 35 HA GLU 35 -7.158 -9.041 4.276 314 HB2 GLU 35 3HB GLU 35 -8.849 -11.080 5.749 315 HB3 GLU 35 2HB GLU 35 -8.616 -11.008 4.007 316 HG2 GLU 35 3HG GLU 35 -9.816 -8.952 3.848 317 HG3 GLU 35 2HG GLU 35 -9.858 -8.772 5.601 318 H ASP 36 H ASP 36 -7.399 -10.499 7.523 319 HA ASP 36 HA ASP 36 -8.525 -8.319 8.845 320 HB2 ASP 36 3HB ASP 36 -6.667 -10.421 9.980 321 HB3 ASP 36 2HB ASP 36 -8.410 -10.587 9.796 322 H GLU 37 H GLU 37 -5.111 -9.094 8.261 323 HA GLU 37 HA GLU 37 -3.955 -7.028 9.770 324 HB2 GLU 37 3HB GLU 37 -2.006 -7.265 8.199 325 HB3 GLU 37 2HB GLU 37 -2.982 -8.371 7.241 326 HG2 GLU 37 3HG GLU 37 -3.159 -9.873 9.176 327 HG3 GLU 37 2HG GLU 37 -2.152 -8.766 10.113 328 H LEU 38 H LEU 38 -4.785 -7.071 6.294 329 HA LEU 38 HA LEU 38 -4.035 -4.497 5.603 330 HB2 LEU 38 3HB LEU 38 -6.520 -5.852 4.541 331 HB3 LEU 38 2HB LEU 38 -4.913 -6.418 4.142 332 HG LEU 38 HG LEU 38 -5.648 -5.109 2.302 333 HD11 LEU 38 1HD1 LEU 38 -6.315 -2.887 4.229 334 HD12 LEU 38 2HD1 LEU 38 -7.475 -3.911 3.385 335 HD13 LEU 38 3HD1 LEU 38 -6.442 -2.814 2.471 336 HD21 LEU 38 3HD2 LEU 38 -4.028 -3.281 2.222 337 HD22 LEU 38 1HD2 LEU 38 -3.320 -4.739 2.917 338 HD23 LEU 38 2HD2 LEU 38 -3.794 -3.403 3.967 339 H LYS 39 H LYS 39 -7.271 -5.550 6.705 340 HA LYS 39 HA LYS 39 -8.408 -2.989 6.933 341 HB2 LYS 39 3HB LYS 39 -9.064 -5.420 8.621 342 HB3 LYS 39 2HB LYS 39 -9.655 -5.170 6.983 343 HG2 LYS 39 3HG LYS 39 -10.913 -3.247 7.655 344 HG3 LYS 39 2HG LYS 39 -10.193 -3.277 9.267 345 HD2 LYS 39 3HD LYS 39 -11.875 -5.524 8.141 346 HD3 LYS 39 2HD LYS 39 -12.525 -4.217 9.134 347 HE2 LYS 39 3HE LYS 39 -10.330 -6.108 9.996 348 HE3 LYS 39 2HE LYS 39 -12.033 -6.270 10.431 349 HZ1 LYS 39 3HZ LYS 39 -11.951 -4.221 11.619 350 HZ2 LYS 39 1HZ LYS 39 -10.383 -3.891 11.079 351 HZ3 LYS 39 2HZ LYS 39 -10.650 -5.166 12.148 352 H LYS 40 H LYS 40 -6.487 -4.885 9.213 353 HA LYS 40 HA LYS 40 -6.928 -3.408 11.552 354 HB2 LYS 40 3HB LYS 40 -4.482 -4.979 10.697 355 HB3 LYS 40 2HB LYS 40 -5.873 -5.608 11.566 356 HG2 LYS 40 3HG LYS 40 -5.297 -4.007 13.432 357 HG3 LYS 40 2HG LYS 40 -3.786 -3.686 12.578 358 HD2 LYS 40 3HD LYS 40 -4.714 -6.390 13.565 359 HD3 LYS 40 2HD LYS 40 -3.489 -5.379 14.330 360 HE2 LYS 40 3HE LYS 40 -3.285 -6.489 11.531 361 HE3 LYS 40 2HE LYS 40 -2.546 -7.218 12.953 362 HZ1 LYS 40 3HZ LYS 40 -0.963 -5.877 11.745 363 HZ2 LYS 40 1HZ LYS 40 -1.251 -5.204 13.270 364 HZ3 LYS 40 2HZ LYS 40 -1.949 -4.512 11.896 365 H TYR 41 H TYR 41 -4.463 -2.983 9.020 366 HA TYR 41 HA TYR 41 -3.257 -0.689 10.205 367 HB2 TYR 41 3HB TYR 41 -2.412 -0.282 7.828 368 HB3 TYR 41 2HB TYR 41 -3.270 -1.750 7.376 369 HD1 TYR 41 HD1 TYR 41 -0.475 -0.397 9.363 370 HD2 TYR 41 HD2 TYR 41 -2.400 -3.923 7.961 371 HE1 TYR 41 HE1 TYR 41 1.478 -1.727 10.040 372 HE2 TYR 41 HE2 TYR 41 -0.453 -5.263 8.635 373 HH TYR 41 HH TYR 41 1.917 -4.973 9.058 374 H LEU 42 H LEU 42 -5.776 -1.090 7.720 375 HA LEU 42 HA LEU 42 -6.228 1.613 7.161 376 HB2 LEU 42 3HB LEU 42 -8.548 0.860 6.507 377 HB3 LEU 42 2HB LEU 42 -8.121 -0.735 7.094 378 HG LEU 42 HG LEU 42 -6.403 -0.958 5.395 379 HD11 LEU 42 1HD1 LEU 42 -7.817 -0.951 3.394 380 HD12 LEU 42 2HD1 LEU 42 -9.011 0.035 4.241 381 HD13 LEU 42 3HD1 LEU 42 -8.668 -1.606 4.793 382 HD21 LEU 42 3HD2 LEU 42 -6.043 0.757 3.688 383 HD22 LEU 42 1HD2 LEU 42 -5.661 1.374 5.294 384 HD23 LEU 42 2HD2 LEU 42 -7.176 1.831 4.511 385 H GLU 43 H GLU 43 -7.341 -0.327 9.876 386 HA GLU 43 HA GLU 43 -9.353 1.261 10.930 387 HB2 GLU 43 3HB GLU 43 -8.502 0.450 13.193 388 HB3 GLU 43 2HB GLU 43 -7.189 -0.326 12.320 389 HG2 GLU 43 3HG GLU 43 -8.806 -1.993 12.723 390 HG3 GLU 43 2HG GLU 43 -8.922 -1.586 11.013 391 H GLU 44 H GLU 44 -5.838 1.617 11.367 392 HA GLU 44 HA GLU 44 -6.010 3.981 12.959 393 HB2 GLU 44 3HB GLU 44 -3.678 3.009 11.292 394 HB3 GLU 44 2HB GLU 44 -4.041 2.436 12.913 395 HG2 GLU 44 3HG GLU 44 -3.494 5.327 12.270 396 HG3 GLU 44 2HG GLU 44 -2.237 4.185 12.739 397 H PHE 45 H PHE 45 -5.316 3.406 9.510 398 HA PHE 45 HA PHE 45 -4.846 6.093 8.807 399 HB2 PHE 45 3HB PHE 45 -5.148 5.363 6.485 400 HB3 PHE 45 2HB PHE 45 -5.877 3.859 7.042 401 HD1 PHE 45 HD1 PHE 45 -4.353 2.284 6.176 402 HD2 PHE 45 HD2 PHE 45 -2.906 5.551 8.497 403 HE1 PHE 45 HE1 PHE 45 -2.131 1.235 6.269 404 HE2 PHE 45 HE2 PHE 45 -0.682 4.504 8.585 405 HZ PHE 45 HZ PHE 45 -0.293 2.344 7.472 406 H ARG 46 H ARG 46 -7.825 4.303 9.136 407 HA ARG 46 HA ARG 46 -9.578 6.081 7.813 408 HB2 ARG 46 3HB ARG 46 -10.126 4.295 10.198 409 HB3 ARG 46 2HB ARG 46 -10.167 3.780 8.519 410 HG2 ARG 46 3HG ARG 46 -12.061 5.205 8.069 411 HG3 ARG 46 2HG ARG 46 -11.973 5.888 9.697 412 HD2 ARG 46 3HD ARG 46 -12.608 3.025 8.962 413 HD3 ARG 46 2HD ARG 46 -13.722 4.219 9.636 414 HE ARG 46 HE ARG 46 -12.025 4.196 11.583 415 HH11 ARG 46 1HH1 ARG 46 -13.028 1.446 9.761 416 HH12 ARG 46 2HH1 ARG 46 -12.588 0.329 11.002 417 HH21 ARG 46 2HH2 ARG 46 -11.754 1.065 12.926 418 HH22 ARG 46 1HH2 ARG 46 -11.501 2.759 13.174 419 H LYS 47 H LYS 47 -8.330 5.968 11.107 420 HA LYS 47 HA LYS 47 -9.856 8.005 12.275 421 HB2 LYS 47 3HB LYS 47 -8.023 8.176 13.906 422 HB3 LYS 47 2HB LYS 47 -6.970 7.270 12.825 423 HG2 LYS 47 3HG LYS 47 -8.668 5.379 12.997 424 HG3 LYS 47 2HG LYS 47 -9.379 6.284 14.336 425 HD2 LYS 47 3HD LYS 47 -6.532 5.276 14.166 426 HD3 LYS 47 2HD LYS 47 -7.814 4.607 15.170 427 HE2 LYS 47 3HE LYS 47 -7.934 6.673 16.448 428 HE3 LYS 47 2HE LYS 47 -6.706 7.403 15.414 429 HZ1 LYS 47 3HZ LYS 47 -6.305 5.046 17.170 430 HZ2 LYS 47 1HZ LYS 47 -5.750 6.614 17.470 431 HZ3 LYS 47 2HZ LYS 47 -5.133 5.732 16.163 432 H GLU 48 H GLU 48 -6.942 8.147 10.298 433 HA GLU 48 HA GLU 48 -6.818 11.075 10.519 434 HB2 GLU 48 3HB GLU 48 -4.621 10.927 9.630 435 HB3 GLU 48 2HB GLU 48 -4.898 9.311 8.995 436 HG2 GLU 48 3HG GLU 48 -3.426 9.233 10.911 437 HG3 GLU 48 2HG GLU 48 -4.941 8.408 11.262 438 H SER 49 H SER 49 -8.766 9.313 8.844 439 HA SER 49 HA SER 49 -8.175 9.307 6.144 440 HB2 SER 49 3HB SER 49 -10.873 9.536 7.484 441 HB3 SER 49 2HB SER 49 -10.053 8.057 6.987 442 HG SER 49 HG SER 49 -10.191 9.477 4.811 443 H GLN 50 H GLN 50 -9.003 12.081 8.008 444 HA GLN 50 HA GLN 50 -10.471 13.542 6.116 445 HB2 GLN 50 3HB GLN 50 -10.033 15.493 7.516 446 HB3 GLN 50 2HB GLN 50 -8.748 14.625 8.351 447 HG2 GLN 50 3HG GLN 50 -10.293 13.117 9.343 448 HG3 GLN 50 2HG GLN 50 -11.606 13.677 8.312 449 HE21 GLN 50 2HE2 GLN 50 -12.432 16.415 10.303 450 HE22 GLN 50 1HE2 GLN 50 -12.634 15.606 8.790 451 H ASN 51 H ASN 51 -6.972 13.233 6.495 452 HA ASN 51 HA ASN 51 -6.627 14.729 3.979 453 HB2 ASN 51 3HB ASN 51 -4.792 16.060 4.827 454 HB3 ASN 51 2HB ASN 51 -4.858 15.250 6.386 455 HD21 ASN 51 2HD2 ASN 51 -7.320 17.280 7.701 456 HD22 ASN 51 1HD2 ASN 51 -6.311 15.895 7.888 457 H ILE 52 H ILE 52 -6.503 11.970 4.092 458 HA ILE 52 HA ILE 52 -3.608 11.357 4.231 459 HB ILE 52 HB ILE 52 -5.033 10.347 6.058 460 HG12 ILE 52 3HG1 ILE 52 -2.826 9.419 5.427 461 HG13 ILE 52 2HG1 ILE 52 -3.602 8.400 4.218 462 HG21 ILE 52 1HG2 ILE 52 -6.091 8.645 3.792 463 HG22 ILE 52 2HG2 ILE 52 -7.011 9.854 4.688 464 HG23 ILE 52 3HG2 ILE 52 -6.417 8.412 5.513 465 HD11 ILE 52 3HD1 ILE 52 -4.067 8.254 7.189 466 HD12 ILE 52 1HD1 ILE 52 -3.064 7.157 6.238 467 HD13 ILE 52 2HD1 ILE 52 -4.805 7.216 5.967 468 H LYS 53 H LYS 53 -2.703 9.998 2.685 469 HA LYS 53 HA LYS 53 -4.505 8.704 0.739 470 HB2 LYS 53 3HB LYS 53 -2.867 9.043 -1.054 471 HB3 LYS 53 2HB LYS 53 -1.817 9.924 0.040 472 HG2 LYS 53 3HG LYS 53 -3.235 11.783 0.109 473 HG3 LYS 53 2HG LYS 53 -4.596 10.881 -0.567 474 HD2 LYS 53 3HD LYS 53 -2.055 11.665 -2.022 475 HD3 LYS 53 2HD LYS 53 -3.657 12.370 -2.257 476 HE2 LYS 53 3HE LYS 53 -4.458 10.079 -2.920 477 HE3 LYS 53 2HE LYS 53 -2.777 9.561 -2.903 478 HZ1 LYS 53 3HZ LYS 53 -3.860 11.723 -4.619 479 HZ2 LYS 53 1HZ LYS 53 -3.558 10.140 -5.126 480 HZ3 LYS 53 2HZ LYS 53 -2.274 11.130 -4.642 481 H VAL 54 H VAL 54 -4.270 6.536 0.891 482 HA VAL 54 HA VAL 54 -1.682 5.463 1.849 483 HB VAL 54 HB VAL 54 -4.395 4.112 1.915 484 HG11 VAL 54 1HG1 VAL 54 -3.282 2.464 3.366 485 HG12 VAL 54 2HG1 VAL 54 -1.744 3.292 3.119 486 HG13 VAL 54 3HG1 VAL 54 -2.557 2.518 1.759 487 HG21 VAL 54 3HG2 VAL 54 -4.281 4.482 4.360 488 HG22 VAL 54 1HG2 VAL 54 -4.361 5.993 3.449 489 HG23 VAL 54 2HG2 VAL 54 -2.824 5.451 4.126 490 H LEU 55 H LEU 55 -0.435 4.615 0.288 491 HA LEU 55 HA LEU 55 -1.605 3.595 -2.189 492 HB2 LEU 55 3HB LEU 55 1.281 3.930 -1.339 493 HB3 LEU 55 2HB LEU 55 0.359 5.070 -2.301 494 HG LEU 55 HG LEU 55 0.965 2.248 -3.198 495 HD11 LEU 55 1HD1 LEU 55 0.358 3.079 -5.408 496 HD12 LEU 55 2HD1 LEU 55 -0.003 4.666 -4.726 497 HD13 LEU 55 3HD1 LEU 55 -0.974 3.265 -4.271 498 HD21 LEU 55 3HD2 LEU 55 3.063 3.437 -2.910 499 HD22 LEU 55 1HD2 LEU 55 2.447 4.798 -3.849 500 HD23 LEU 55 2HD2 LEU 55 2.705 3.235 -4.625 501 H ILE 56 H ILE 56 -2.188 1.491 -2.302 502 HA ILE 56 HA ILE 56 -0.793 -0.471 -0.585 503 HB ILE 56 HB ILE 56 -3.540 -0.705 -1.852 504 HG12 ILE 56 3HG1 ILE 56 -3.465 1.001 -0.059 505 HG13 ILE 56 2HG1 ILE 56 -2.764 -0.184 1.039 506 HG21 ILE 56 1HG2 ILE 56 -2.132 -2.500 0.135 507 HG22 ILE 56 2HG2 ILE 56 -2.449 -2.869 -1.561 508 HG23 ILE 56 3HG2 ILE 56 -3.792 -2.693 -0.434 509 HD11 ILE 56 3HD1 ILE 56 -5.131 0.126 1.466 510 HD12 ILE 56 1HD1 ILE 56 -4.799 -1.518 0.917 511 HD13 ILE 56 2HD1 ILE 56 -5.504 -0.341 -0.192 512 H LEU 57 H LEU 57 0.592 -1.803 -1.596 513 HA LEU 57 HA LEU 57 0.270 -2.301 -4.485 514 HB2 LEU 57 3HB LEU 57 2.658 -3.172 -4.303 515 HB3 LEU 57 2HB LEU 57 2.678 -2.532 -2.672 516 HG LEU 57 HG LEU 57 3.780 -1.063 -4.358 517 HD11 LEU 57 1HD1 LEU 57 0.987 -0.705 -5.437 518 HD12 LEU 57 2HD1 LEU 57 2.320 -1.519 -6.254 519 HD13 LEU 57 3HD1 LEU 57 2.414 0.210 -5.924 520 HD21 LEU 57 3HD2 LEU 57 2.923 -0.115 -2.276 521 HD22 LEU 57 1HD2 LEU 57 1.353 0.147 -3.035 522 HD23 LEU 57 2HD2 LEU 57 2.768 1.026 -3.612 523 H VAL 58 H VAL 58 -0.448 -4.219 -5.140 524 HA VAL 58 HA VAL 58 -0.166 -6.554 -3.335 525 HB VAL 58 HB VAL 58 -2.276 -7.422 -4.199 526 HG11 VAL 58 1HG1 VAL 58 -3.811 -5.808 -3.161 527 HG12 VAL 58 2HG1 VAL 58 -2.538 -4.584 -3.185 528 HG13 VAL 58 3HG1 VAL 58 -2.350 -6.033 -2.195 529 HG21 VAL 58 3HG2 VAL 58 -3.719 -6.021 -5.623 530 HG22 VAL 58 1HG2 VAL 58 -2.219 -6.468 -6.433 531 HG23 VAL 58 2HG2 VAL 58 -2.416 -4.846 -5.770 532 H SER 59 H SER 59 -0.217 -8.668 -4.464 533 HA SER 59 HA SER 59 1.603 -8.630 -6.715 534 HB2 SER 59 3HB SER 59 2.038 -10.191 -4.914 535 HB3 SER 59 2HB SER 59 1.647 -11.107 -6.370 536 HG SER 59 HG SER 59 0.556 -11.848 -4.451 537 H ASN 60 H ASN 60 -1.580 -10.175 -6.119 538 HA ASN 60 HA ASN 60 -1.955 -10.288 -9.054 539 HB2 ASN 60 3HB ASN 60 -3.193 -12.330 -8.814 540 HB3 ASN 60 2HB ASN 60 -3.196 -12.193 -7.060 541 HD21 ASN 60 2HD2 ASN 60 -0.010 -13.525 -6.629 542 HD22 ASN 60 1HD2 ASN 60 -1.325 -12.660 -5.918 543 H ASP 61 H ASP 61 -4.428 -10.690 -9.537 544 HA ASP 61 HA ASP 61 -5.701 -8.249 -8.867 545 HB2 ASP 61 3HB ASP 61 -7.597 -9.149 -10.238 546 HB3 ASP 61 2HB ASP 61 -6.699 -10.658 -10.387 547 H GLU 62 H GLU 62 -5.959 -11.436 -7.434 548 HA GLU 62 HA GLU 62 -8.530 -11.061 -6.263 549 HB2 GLU 62 3HB GLU 62 -6.254 -12.869 -5.425 550 HB3 GLU 62 2HB GLU 62 -7.611 -13.293 -6.464 551 HG2 GLU 62 3HG GLU 62 -9.125 -12.789 -4.509 552 HG3 GLU 62 2HG GLU 62 -7.674 -12.662 -3.518 553 H GLU 63 H GLU 63 -5.266 -10.798 -4.809 554 HA GLU 63 HA GLU 63 -6.135 -9.604 -2.410 555 HB2 GLU 63 3HB GLU 63 -3.977 -10.334 -2.140 556 HB3 GLU 63 2HB GLU 63 -3.669 -8.636 -2.449 557 HG2 GLU 63 3HG GLU 63 -2.110 -9.575 -3.811 558 HG3 GLU 63 2HG GLU 63 -3.456 -9.447 -4.941 559 H LEU 64 H LEU 64 -5.353 -8.240 -5.553 560 HA LEU 64 HA LEU 64 -5.531 -5.505 -4.984 561 HB2 LEU 64 3HB LEU 64 -6.509 -7.007 -7.425 562 HB3 LEU 64 2HB LEU 64 -4.863 -6.470 -7.158 563 HG LEU 64 HG LEU 64 -7.239 -4.618 -7.462 564 HD11 LEU 64 1HD1 LEU 64 -5.443 -3.659 -6.132 565 HD12 LEU 64 2HD1 LEU 64 -5.549 -2.867 -7.702 566 HD13 LEU 64 3HD1 LEU 64 -4.276 -4.049 -7.393 567 HD21 LEU 64 3HD2 LEU 64 -6.358 -4.129 -9.686 568 HD22 LEU 64 1HD2 LEU 64 -6.784 -5.836 -9.538 569 HD23 LEU 64 2HD2 LEU 64 -5.093 -5.339 -9.463 570 H ASP 65 H ASP 65 -8.101 -7.814 -5.841 571 HA ASP 65 HA ASP 65 -10.281 -6.049 -5.668 572 HB2 ASP 65 3HB ASP 65 -10.190 -9.045 -5.206 573 HB3 ASP 65 2HB ASP 65 -10.397 -8.248 -6.762 574 H LYS 66 H LYS 66 -9.080 -8.398 -3.264 575 HA LYS 66 HA LYS 66 -10.866 -7.824 -1.209 576 HB2 LYS 66 3HB LYS 66 -9.135 -8.809 0.299 577 HB3 LYS 66 2HB LYS 66 -7.997 -8.775 -1.043 578 HG2 LYS 66 3HG LYS 66 -8.882 -10.993 -0.838 579 HG3 LYS 66 2HG LYS 66 -9.520 -10.269 -2.314 580 HD2 LYS 66 3HD LYS 66 -11.286 -11.462 -1.152 581 HD3 LYS 66 2HD LYS 66 -11.615 -9.729 -1.126 582 HE2 LYS 66 3HE LYS 66 -10.720 -9.597 1.159 583 HE3 LYS 66 2HE LYS 66 -10.409 -11.333 1.133 584 HZ1 LYS 66 3HZ LYS 66 -12.818 -11.666 0.794 585 HZ2 LYS 66 1HZ LYS 66 -13.056 -10.006 1.002 586 HZ3 LYS 66 2HZ LYS 66 -12.444 -10.932 2.274 587 H ALA 67 H ALA 67 -7.642 -6.412 -1.779 588 HA ALA 67 HA ALA 67 -7.504 -4.788 0.482 589 HB1 ALA 67 3HB ALA 67 -6.322 -4.247 -2.242 590 HB2 ALA 67 1HB ALA 67 -5.591 -5.231 -0.974 591 HB3 ALA 67 2HB ALA 67 -5.818 -3.499 -0.726 592 H LYS 68 H LYS 68 -8.786 -3.955 -2.768 593 HA LYS 68 HA LYS 68 -9.479 -1.294 -1.990 594 HB2 LYS 68 3HB LYS 68 -9.067 -2.114 -4.374 595 HB3 LYS 68 2HB LYS 68 -10.407 -1.005 -4.130 596 HG2 LYS 68 3HG LYS 68 -11.963 -2.933 -4.149 597 HG3 LYS 68 2HG LYS 68 -10.597 -3.990 -4.515 598 HD2 LYS 68 3HD LYS 68 -10.224 -2.923 -6.619 599 HD3 LYS 68 2HD LYS 68 -11.353 -1.623 -6.229 600 HE2 LYS 68 3HE LYS 68 -12.368 -3.192 -7.784 601 HE3 LYS 68 2HE LYS 68 -13.208 -3.229 -6.237 602 HZ1 LYS 68 3HZ LYS 68 -11.199 -5.201 -7.169 603 HZ2 LYS 68 1HZ LYS 68 -12.868 -5.448 -7.082 604 HZ3 LYS 68 2HZ LYS 68 -11.975 -5.232 -5.668 605 H GLU 69 H GLU 69 -11.243 -4.360 -2.051 606 HA GLU 69 HA GLU 69 -13.836 -3.426 -1.604 607 HB2 GLU 69 3HB GLU 69 -14.101 -5.669 -0.323 608 HB3 GLU 69 2HB GLU 69 -12.433 -5.966 -0.794 609 HG2 GLU 69 3HG GLU 69 -13.866 -7.052 -2.361 610 HG3 GLU 69 2HG GLU 69 -13.097 -5.686 -3.167 611 H LEU 70 H LEU 70 -11.439 -4.439 0.853 612 HA LEU 70 HA LEU 70 -12.874 -3.785 3.137 613 HB2 LEU 70 3HB LEU 70 -10.678 -3.548 4.259 614 HB3 LEU 70 2HB LEU 70 -9.892 -3.529 2.690 615 HG LEU 70 HG LEU 70 -10.643 -5.839 2.281 616 HD11 LEU 70 1HD1 LEU 70 -9.219 -5.515 4.924 617 HD12 LEU 70 2HD1 LEU 70 -8.468 -5.449 3.328 618 HD13 LEU 70 3HD1 LEU 70 -9.199 -6.950 3.897 619 HD21 LEU 70 3HD2 LEU 70 -11.798 -5.672 5.067 620 HD22 LEU 70 1HD2 LEU 70 -11.659 -7.142 4.101 621 HD23 LEU 70 2HD2 LEU 70 -12.706 -5.830 3.564 622 H ALA 71 H ALA 71 -10.609 -1.700 1.335 623 HA ALA 71 HA ALA 71 -10.861 0.596 2.915 624 HB1 ALA 71 3HB ALA 71 -9.098 0.275 1.256 625 HB2 ALA 71 1HB ALA 71 -9.944 1.804 1.006 626 HB3 ALA 71 2HB ALA 71 -10.286 0.423 -0.041 627 H GLN 72 H GLN 72 -12.735 -0.397 0.051 628 HA GLN 72 HA GLN 72 -14.358 1.888 -0.153 629 HB2 GLN 72 3HB GLN 72 -15.979 0.304 -1.315 630 HB3 GLN 72 2HB GLN 72 -14.837 -0.985 -0.955 631 HG2 GLN 72 3HG GLN 72 -13.100 0.292 -2.209 632 HG3 GLN 72 2HG GLN 72 -14.351 1.444 -2.670 633 HE21 GLN 72 2HE2 GLN 72 -15.102 -2.293 -4.090 634 HE22 GLN 72 1HE2 GLN 72 -14.850 -2.010 -2.409 635 H LYS 73 H LYS 73 -14.810 -1.099 1.740 636 HA LYS 73 HA LYS 73 -17.366 -0.472 2.786 637 HB2 LYS 73 3HB LYS 73 -16.950 -2.153 4.473 638 HB3 LYS 73 2HB LYS 73 -15.215 -2.047 4.229 639 HG2 LYS 73 3HG LYS 73 -16.199 -4.086 3.272 640 HG3 LYS 73 2HG LYS 73 -15.391 -3.081 2.071 641 HD2 LYS 73 3HD LYS 73 -17.520 -2.221 1.290 642 HD3 LYS 73 2HD LYS 73 -18.371 -3.117 2.553 643 HE2 LYS 73 3HE LYS 73 -17.677 -5.226 1.578 644 HE3 LYS 73 2HE LYS 73 -16.710 -4.381 0.369 645 HZ1 LYS 73 3HZ LYS 73 -19.639 -4.027 0.614 646 HZ2 LYS 73 1HZ LYS 73 -18.932 -5.187 -0.396 647 HZ3 LYS 73 2HZ LYS 73 -18.637 -3.545 -0.661 648 H MET 74 H MET 74 -14.093 0.233 3.894 649 HA MET 74 HA MET 74 -14.995 1.500 6.341 650 HB2 MET 74 3HB MET 74 -12.613 1.747 6.834 651 HB3 MET 74 2HB MET 74 -12.204 1.252 5.194 652 HG2 MET 74 3HG MET 74 -13.269 -0.942 5.647 653 HG3 MET 74 2HG MET 74 -13.518 -0.436 7.316 654 HE1 MET 74 3HE MET 74 -11.592 -0.031 9.054 655 HE2 MET 74 1HE MET 74 -10.843 1.159 7.987 656 HE3 MET 74 2HE MET 74 -9.872 -0.146 8.671 657 H GLU 75 H GLU 75 -14.782 2.562 3.202 658 HA GLU 75 HA GLU 75 -15.077 4.613 2.252 659 HB2 GLU 75 3HB GLU 75 -15.813 6.487 3.717 660 HB3 GLU 75 2HB GLU 75 -15.455 5.495 5.122 661 HG2 GLU 75 3HG GLU 75 -17.138 3.850 4.337 662 HG3 GLU 75 2HG GLU 75 -17.546 4.952 3.020 663 H ILE 76 H ILE 76 -12.351 3.777 2.966 664 HA ILE 76 HA ILE 76 -11.031 6.303 3.702 665 HB ILE 76 HB ILE 76 -9.781 3.568 3.371 666 HG12 ILE 76 3HG1 ILE 76 -11.507 3.622 5.171 667 HG13 ILE 76 2HG1 ILE 76 -10.635 4.944 5.943 668 HG21 ILE 76 1HG2 ILE 76 -7.911 4.507 4.631 669 HG22 ILE 76 2HG2 ILE 76 -8.737 6.063 4.721 670 HG23 ILE 76 3HG2 ILE 76 -8.205 5.434 3.160 671 HD11 ILE 76 3HD1 ILE 76 -10.173 2.807 6.997 672 HD12 ILE 76 1HD1 ILE 76 -8.719 3.507 6.285 673 HD13 ILE 76 2HD1 ILE 76 -9.549 2.181 5.469 674 H ASP 77 H ASP 77 -9.916 7.516 2.263 675 HA ASP 77 HA ASP 77 -9.857 6.905 -0.514 676 HB2 ASP 77 3HB ASP 77 -8.454 8.960 -0.695 677 HB3 ASP 77 2HB ASP 77 -8.391 9.036 1.064 678 H VAL 78 H VAL 78 -8.722 5.042 -0.964 679 HA VAL 78 HA VAL 78 -5.827 5.070 -0.355 680 HB VAL 78 HB VAL 78 -5.810 2.644 -0.402 681 HG11 VAL 78 1HG1 VAL 78 -6.295 3.735 1.745 682 HG12 VAL 78 2HG1 VAL 78 -7.081 2.161 1.622 683 HG13 VAL 78 3HG1 VAL 78 -8.023 3.636 1.402 684 HG21 VAL 78 3HG2 VAL 78 -8.785 2.814 -0.926 685 HG22 VAL 78 1HG2 VAL 78 -7.884 1.335 -0.593 686 HG23 VAL 78 2HG2 VAL 78 -7.553 2.256 -2.059 687 H ARG 79 H ARG 79 -4.497 3.850 -1.938 688 HA ARG 79 HA ARG 79 -5.576 3.918 -4.680 689 HB2 ARG 79 3HB ARG 79 -2.716 4.634 -4.025 690 HB3 ARG 79 2HB ARG 79 -3.986 5.851 -4.035 691 HG2 ARG 79 3HG ARG 79 -4.460 5.372 -6.371 692 HG3 ARG 79 2HG ARG 79 -3.227 4.108 -6.376 693 HD2 ARG 79 3HD ARG 79 -1.484 5.614 -6.319 694 HD3 ARG 79 2HD ARG 79 -2.447 6.862 -5.527 695 HE ARG 79 HE ARG 79 -3.475 6.431 -8.096 696 HH11 ARG 79 1HH1 ARG 79 -0.570 7.577 -6.673 697 HH12 ARG 79 2HH1 ARG 79 -0.362 8.829 -7.837 698 HH21 ARG 79 2HH2 ARG 79 -1.803 9.073 -9.484 699 HH22 ARG 79 1HH2 ARG 79 -3.178 8.034 -9.615 700 H THR 80 H THR 80 -5.896 1.680 -4.688 701 HA THR 80 HA THR 80 -3.722 -0.089 -3.884 702 HB THR 80 HB THR 80 -6.409 -0.934 -4.997 703 HG1 THR 80 HG1 THR 80 -6.231 -1.094 -2.300 704 HG21 THR 80 3HG2 THR 80 -5.997 -2.982 -3.766 705 HG22 THR 80 1HG2 THR 80 -4.503 -2.322 -3.099 706 HG23 THR 80 2HG2 THR 80 -4.625 -2.658 -4.824 707 H ARG 81 H ARG 81 -2.172 -0.516 -5.317 708 HA ARG 81 HA ARG 81 -2.879 -0.872 -8.156 709 HB2 ARG 81 3HB ARG 81 -0.422 -0.327 -8.568 710 HB3 ARG 81 2HB ARG 81 -0.346 0.173 -6.884 711 HG2 ARG 81 3HG ARG 81 -0.656 2.079 -8.381 712 HG3 ARG 81 2HG ARG 81 -2.039 1.886 -7.299 713 HD2 ARG 81 3HD ARG 81 -3.343 0.878 -9.041 714 HD3 ARG 81 2HD ARG 81 -1.950 0.810 -10.118 715 HE ARG 81 HE ARG 81 -2.205 3.453 -9.625 716 HH11 ARG 81 1HH1 ARG 81 -4.478 1.050 -10.609 717 HH12 ARG 81 2HH1 ARG 81 -5.355 2.144 -11.622 718 HH21 ARG 81 2HH2 ARG 81 -4.706 4.269 -11.804 719 HH22 ARG 81 1HH2 ARG 81 -3.338 4.843 -10.911 720 H LYS 82 H LYS 82 -1.801 -2.497 -9.350 721 HA LYS 82 HA LYS 82 -0.929 -4.790 -7.718 722 HB2 LYS 82 3HB LYS 82 -1.976 -4.703 -10.560 723 HB3 LYS 82 2HB LYS 82 -2.931 -5.100 -9.138 724 HG2 LYS 82 3HG LYS 82 -1.560 -7.090 -8.757 725 HG3 LYS 82 2HG LYS 82 -0.584 -6.692 -10.174 726 HD2 LYS 82 3HD LYS 82 -3.550 -7.296 -10.193 727 HD3 LYS 82 2HD LYS 82 -2.271 -8.409 -10.682 728 HE2 LYS 82 3HE LYS 82 -1.622 -6.924 -12.492 729 HE3 LYS 82 2HE LYS 82 -2.822 -5.739 -11.980 730 HZ1 LYS 82 3HZ LYS 82 -3.588 -7.063 -13.854 731 HZ2 LYS 82 1HZ LYS 82 -4.566 -7.307 -12.495 732 HZ3 LYS 82 2HZ LYS 82 -3.435 -8.478 -12.941 733 H VAL 83 H VAL 83 1.013 -5.810 -8.098 734 HA VAL 83 HA VAL 83 2.793 -4.627 -10.132 735 HB VAL 83 HB VAL 83 4.686 -4.799 -8.561 736 HG11 VAL 83 1HG1 VAL 83 4.099 -2.898 -7.127 737 HG12 VAL 83 2HG1 VAL 83 2.392 -3.137 -7.502 738 HG13 VAL 83 3HG1 VAL 83 3.519 -2.668 -8.777 739 HG21 VAL 83 3HG2 VAL 83 2.585 -5.529 -6.507 740 HG22 VAL 83 1HG2 VAL 83 4.276 -5.162 -6.159 741 HG23 VAL 83 2HG2 VAL 83 3.861 -6.582 -7.116 742 H THR 84 H THR 84 4.429 -5.972 -10.962 743 HA THR 84 HA THR 84 4.012 -8.873 -10.560 744 HB THR 84 HB THR 84 5.013 -9.140 -12.835 745 HG1 THR 84 HG1 THR 84 5.364 -7.312 -14.092 746 HG21 THR 84 3HG2 THR 84 3.054 -8.339 -14.095 747 HG22 THR 84 1HG2 THR 84 2.573 -7.355 -12.712 748 HG23 THR 84 2HG2 THR 84 2.579 -9.114 -12.584 749 H SER 85 H SER 85 6.575 -6.599 -11.548 750 HA SER 85 HA SER 85 8.588 -8.304 -10.218 751 HB2 SER 85 3HB SER 85 10.247 -7.042 -11.577 752 HB3 SER 85 2HB SER 85 8.929 -6.113 -12.289 753 HG SER 85 HG SER 85 8.092 -8.319 -12.896 754 HA PRO 86 HA PRO 86 9.447 -5.403 -6.922 755 HB2 PRO 86 2HB PRO 86 12.237 -5.157 -7.291 756 HB3 PRO 86 3HB PRO 86 11.411 -6.301 -6.234 757 HG2 PRO 86 3HG PRO 86 12.410 -7.842 -7.624 758 HG3 PRO 86 2HG PRO 86 12.498 -6.701 -8.977 759 HD2 PRO 86 3HD PRO 86 10.191 -8.386 -8.068 760 HD3 PRO 86 2HD PRO 86 10.743 -8.019 -9.719 761 H ASP 87 H ASP 87 10.977 -4.767 -10.061 762 HA ASP 87 HA ASP 87 11.548 -2.052 -9.761 763 HB2 ASP 87 3HB ASP 87 10.599 -3.337 -12.330 764 HB3 ASP 87 2HB ASP 87 12.206 -3.609 -11.662 765 H GLU 88 H GLU 88 8.496 -3.634 -10.611 766 HA GLU 88 HA GLU 88 7.037 -1.386 -11.451 767 HB2 GLU 88 3HB GLU 88 5.036 -2.700 -11.011 768 HB3 GLU 88 2HB GLU 88 5.942 -3.792 -9.973 769 HG2 GLU 88 3HG GLU 88 5.488 -4.797 -12.137 770 HG3 GLU 88 2HG GLU 88 7.217 -4.591 -11.872 771 H ALA 89 H ALA 89 7.123 -2.916 -8.220 772 HA ALA 89 HA ALA 89 5.491 -1.134 -6.853 773 HB1 ALA 89 3HB ALA 89 6.557 -1.934 -4.818 774 HB2 ALA 89 1HB ALA 89 7.904 -2.582 -5.753 775 HB3 ALA 89 2HB ALA 89 6.291 -3.271 -5.936 776 H LYS 90 H LYS 90 9.002 -0.949 -7.377 777 HA LYS 90 HA LYS 90 9.563 1.382 -5.948 778 HB2 LYS 90 3HB LYS 90 11.524 1.604 -7.446 779 HB3 LYS 90 2HB LYS 90 10.820 0.411 -8.531 780 HG2 LYS 90 3HG LYS 90 10.880 -1.215 -6.591 781 HG3 LYS 90 2HG LYS 90 11.859 -0.021 -5.737 782 HD2 LYS 90 3HD LYS 90 12.564 -1.221 -8.424 783 HD3 LYS 90 2HD LYS 90 13.210 -1.774 -6.878 784 HE2 LYS 90 3HE LYS 90 13.516 1.047 -7.895 785 HE3 LYS 90 2HE LYS 90 14.705 -0.224 -8.168 786 HZ1 LYS 90 3HZ LYS 90 15.260 1.172 -6.261 787 HZ2 LYS 90 1HZ LYS 90 15.016 -0.440 -5.806 788 HZ3 LYS 90 2HZ LYS 90 13.824 0.718 -5.498 789 H ARG 91 H ARG 91 8.371 0.986 -9.258 790 HA ARG 91 HA ARG 91 8.523 3.729 -10.001 791 HB2 ARG 91 3HB ARG 91 6.795 1.524 -11.156 792 HB3 ARG 91 2HB ARG 91 8.457 1.858 -11.623 793 HG2 ARG 91 3HG ARG 91 7.813 4.028 -12.497 794 HG3 ARG 91 2HG ARG 91 6.150 3.774 -11.961 795 HD2 ARG 91 3HD ARG 91 5.938 1.867 -13.460 796 HD3 ARG 91 2HD ARG 91 7.615 2.062 -13.970 797 HE ARG 91 HE ARG 91 6.788 4.360 -14.750 798 HH11 ARG 91 1HH1 ARG 91 4.810 1.539 -14.715 799 HH12 ARG 91 2HH1 ARG 91 3.934 2.006 -16.132 800 HH21 ARG 91 2HH2 ARG 91 4.387 3.913 -17.153 801 HH22 ARG 91 1HH2 ARG 91 5.631 4.957 -16.556 802 H TRP 92 H TRP 92 5.921 1.726 -8.649 803 HA TRP 92 HA TRP 92 3.880 3.683 -8.880 804 HB2 TRP 92 3HB TRP 92 2.702 2.257 -7.135 805 HB3 TRP 92 2HB TRP 92 4.137 1.232 -7.135 806 HD1 TRP 92 HD1 TRP 92 4.073 -0.718 -8.824 807 HE1 TRP 92 HE1 TRP 92 2.711 -1.277 -10.939 808 HE3 TRP 92 HE3 TRP 92 1.434 3.635 -9.253 809 HZ2 TRP 92 HZ2 TRP 92 0.766 -0.031 -12.568 810 HZ3 TRP 92 HZ3 TRP 92 -0.154 3.874 -11.110 811 HH2 TRP 92 HH2 TRP 92 -0.481 2.081 -12.738 812 H ILE 93 H ILE 93 5.983 2.799 -6.120 813 HA ILE 93 HA ILE 93 5.006 4.729 -4.322 814 HB ILE 93 HB ILE 93 7.833 3.659 -4.550 815 HG12 ILE 93 3HG1 ILE 93 6.136 1.898 -4.236 816 HG13 ILE 93 2HG1 ILE 93 5.496 2.754 -2.837 817 HG21 ILE 93 1HG2 ILE 93 7.791 5.710 -3.236 818 HG22 ILE 93 2HG2 ILE 93 8.075 4.321 -2.190 819 HG23 ILE 93 3HG2 ILE 93 6.480 5.074 -2.241 820 HD11 ILE 93 3HD1 ILE 93 7.585 2.413 -1.650 821 HD12 ILE 93 1HD1 ILE 93 8.259 1.587 -3.055 822 HD13 ILE 93 2HD1 ILE 93 6.896 0.881 -2.187 823 H LYS 94 H LYS 94 7.273 4.978 -6.982 824 HA LYS 94 HA LYS 94 8.300 7.555 -6.506 825 HB2 LYS 94 3HB LYS 94 7.817 6.093 -9.117 826 HB3 LYS 94 2HB LYS 94 9.274 6.013 -8.139 827 HG2 LYS 94 3HG LYS 94 8.269 8.534 -9.450 828 HG3 LYS 94 2HG LYS 94 9.459 7.445 -10.165 829 HD2 LYS 94 3HD LYS 94 10.898 7.793 -8.155 830 HD3 LYS 94 2HD LYS 94 9.742 9.005 -7.596 831 HE2 LYS 94 3HE LYS 94 10.156 10.384 -9.517 832 HE3 LYS 94 2HE LYS 94 11.153 9.133 -10.261 833 HZ1 LYS 94 3HZ LYS 94 12.573 10.770 -9.315 834 HZ2 LYS 94 1HZ LYS 94 12.701 9.379 -8.365 835 HZ3 LYS 94 2HZ LYS 94 11.788 10.698 -7.823 836 H GLU 95 H GLU 95 5.596 6.596 -8.684 837 HA GLU 95 HA GLU 95 4.965 9.257 -9.412 838 HB2 GLU 95 3HB GLU 95 4.366 7.398 -10.847 839 HB3 GLU 95 2HB GLU 95 2.930 8.312 -10.426 840 HG2 GLU 95 3HG GLU 95 3.599 5.909 -8.794 841 HG3 GLU 95 2HG GLU 95 2.958 5.671 -10.416 842 H PHE 96 H PHE 96 3.723 7.178 -6.863 843 HA PHE 96 HA PHE 96 1.583 8.831 -6.029 844 HB2 PHE 96 3HB PHE 96 3.218 6.796 -4.494 845 HB3 PHE 96 2HB PHE 96 1.752 6.475 -5.409 846 HD1 PHE 96 HD1 PHE 96 3.116 7.492 -2.249 847 HD2 PHE 96 HD2 PHE 96 -0.421 7.481 -4.627 848 HE1 PHE 96 HE1 PHE 96 1.766 7.886 -0.234 849 HE2 PHE 96 HE2 PHE 96 -1.778 7.875 -2.611 850 HZ PHE 96 HZ PHE 96 -0.684 8.078 -0.411 851 H SER 97 H SER 97 4.909 8.509 -4.781 852 HA SER 97 HA SER 97 4.743 10.373 -2.706 853 HB2 SER 97 3HB SER 97 7.155 9.661 -4.399 854 HB3 SER 97 2HB SER 97 6.639 8.845 -2.922 855 HG SER 97 HG SER 97 7.739 11.427 -3.230 856 H GLU 98 H GLU 98 5.496 10.878 -6.126 857 HA GLU 98 HA GLU 98 6.363 13.554 -5.920 858 HB2 GLU 98 3HB GLU 98 5.931 13.659 -8.369 859 HB3 GLU 98 2HB GLU 98 5.125 12.098 -8.267 860 HG2 GLU 98 3HG GLU 98 7.213 11.065 -7.510 861 HG3 GLU 98 2HG GLU 98 8.021 12.627 -7.609 862 H GLU 99 H GLU 99 3.154 12.222 -5.839 863 HA GLU 99 HA GLU 99 1.763 14.564 -6.733 864 HB2 GLU 99 3HB GLU 99 -0.251 13.478 -5.924 865 HB3 GLU 99 2HB GLU 99 0.700 12.327 -4.997 866 HG2 GLU 99 3HG GLU 99 1.540 11.315 -7.006 867 HG3 GLU 99 2HG GLU 99 0.760 12.546 -7.998 868 H GLY 100 H GLY 100 2.568 13.271 -3.519 869 HA2 GLY 100 3HA GLY 100 2.364 15.868 -2.294 870 HA3 GLY 100 2HA GLY 100 2.703 14.351 -1.478 871 H GLY 101 H GLY 101 -0.164 14.811 -3.454 872 HA2 GLY 101 3HA GLY 101 -1.852 14.420 -1.090 873 HA3 GLY 101 2HA GLY 101 -2.364 14.287 -2.766 874 H SER 102 H SER 102 -0.914 16.925 -3.246 875 HA SER 102 HA SER 102 -2.922 18.745 -2.042 876 HB2 SER 102 3HB SER 102 -0.694 19.127 -1.088 877 HB3 SER 102 2HB SER 102 -1.176 20.506 -2.078 878 HG SER 102 HG SER 102 0.616 20.191 -3.111 879 H LEU 103 H LEU 103 -3.239 17.410 -4.569 880 HA LEU 103 HA LEU 103 -2.519 19.177 -6.714 881 HB2 LEU 103 3HB LEU 103 -3.864 17.659 -8.118 882 HB3 LEU 103 2HB LEU 103 -4.451 16.854 -6.675 883 HG LEU 103 HG LEU 103 -2.133 16.123 -6.165 884 HD11 LEU 103 1HD1 LEU 103 -3.630 14.641 -7.389 885 HD12 LEU 103 2HD1 LEU 103 -1.964 14.442 -7.929 886 HD13 LEU 103 3HD1 LEU 103 -3.107 15.353 -8.917 887 HD21 LEU 103 3HD2 LEU 103 -0.900 17.910 -7.262 888 HD22 LEU 103 1HD2 LEU 103 -1.473 17.367 -8.839 889 HD23 LEU 103 2HD2 LEU 103 -0.396 16.342 -7.890 890 H GLU 104 H GLU 104 -5.839 18.017 -6.139 891 HA GLU 104 HA GLU 104 -7.029 20.335 -7.217 892 HB2 GLU 104 3HB GLU 104 -9.159 19.396 -6.206 893 HB3 GLU 104 2HB GLU 104 -8.174 18.105 -5.530 894 HG2 GLU 104 3HG GLU 104 -9.203 17.329 -7.554 895 HG3 GLU 104 2HG GLU 104 -7.467 17.491 -7.822 896 H HIS 105 H HIS 105 -6.385 19.390 -3.872 897 HA HIS 105 HA HIS 105 -7.444 21.915 -2.875 898 HB2 HIS 105 3HB HIS 105 -6.707 21.062 -0.645 899 HB3 HIS 105 2HB HIS 105 -6.063 19.629 -1.437 900 HD1 HIS 105 HD1 HIS 105 -9.309 21.277 -0.520 901 HD2 HIS 105 HD2 HIS 105 -7.948 17.701 -2.139 902 HE1 HIS 105 HE1 HIS 105 -11.300 19.748 -0.536 903 HE2 HIS 105 HE2 HIS 105 -10.430 17.557 -1.416 904 H HIS 106 H HIS 106 -6.160 23.545 -3.641 905 HA HIS 106 HA HIS 106 -3.296 23.265 -3.834 906 HB2 HIS 106 3HB HIS 106 -3.385 25.607 -4.699 907 HB3 HIS 106 2HB HIS 106 -5.117 25.623 -4.374 908 HD1 HIS 106 HD1 HIS 106 -2.657 24.660 -6.902 909 HD2 HIS 106 HD2 HIS 106 -6.600 23.711 -6.010 910 HE1 HIS 106 HE1 HIS 106 -3.563 23.560 -8.961 911 HE2 HIS 106 HE2 HIS 106 -5.886 22.833 -8.337 912 H HIS 107 H HIS 107 -2.197 23.258 -1.978 913 HA HIS 107 HA HIS 107 -2.860 25.163 0.157 914 HB2 HIS 107 3HB HIS 107 -0.995 22.771 0.150 915 HB3 HIS 107 2HB HIS 107 -2.648 22.782 0.754 916 HD1 HIS 107 HD1 HIS 107 0.739 23.138 1.878 917 HD2 HIS 107 HD2 HIS 107 -2.937 24.698 3.025 918 HE1 HIS 107 HE1 HIS 107 1.066 23.966 4.221 919 HE2 HIS 107 HE2 HIS 107 -1.199 24.781 4.941 920 H HIS 108 H HIS 108 -0.562 24.689 -2.352 921 HA HIS 108 HA HIS 108 1.588 26.189 -1.130 922 HB2 HIS 108 3HB HIS 108 1.263 25.550 -4.071 923 HB3 HIS 108 2HB HIS 108 1.847 24.373 -2.901 924 HD1 HIS 108 HD1 HIS 108 4.281 24.438 -2.327 925 HD2 HIS 108 HD2 HIS 108 3.060 27.823 -4.395 926 HE1 HIS 108 HE1 HIS 108 6.386 25.663 -2.905 927 HE2 HIS 108 HE2 HIS 108 5.628 27.552 -4.374 928 H HIS 109 H HIS 109 -0.795 26.835 -3.707 929 HA HIS 109 HA HIS 109 -0.857 29.644 -2.844 930 HB2 HIS 109 3HB HIS 109 -1.129 30.323 -5.289 931 HB3 HIS 109 2HB HIS 109 -0.530 28.725 -5.711 932 HD1 HIS 109 HD1 HIS 109 1.807 28.921 -6.438 933 HD2 HIS 109 HD2 HIS 109 0.975 31.471 -3.265 934 HE1 HIS 109 HE1 HIS 109 3.969 30.096 -5.935 935 HE2 HIS 109 HE2 HIS 109 3.401 31.748 -4.124 936 H HIS 110 H HIS 110 -2.906 30.290 -2.485 937 HA HIS 110 HA HIS 110 -5.093 28.638 -3.603 938 HB2 HIS 110 3HB HIS 110 -5.182 30.257 -1.048 939 HB3 HIS 110 2HB HIS 110 -4.718 28.560 -1.106 940 HD1 HIS 110 HD1 HIS 110 -7.634 30.712 -0.786 941 HD2 HIS 110 HD2 HIS 110 -6.876 26.840 -2.102 942 HE1 HIS 110 HE1 HIS 110 -9.863 29.554 -0.809 943 HE2 HIS 110 HE2 HIS 110 -9.353 27.177 -1.450 Start of MODEL 16 1 H1 MET 1 1H MET 1 0.354 16.699 5.362 2 H2 MET 1 2H MET 1 -0.045 17.675 4.039 3 H3 MET 1 3H MET 1 1.315 16.676 3.969 4 HA MET 1 HA MET 1 -1.477 15.713 4.219 5 HB2 MET 1 3HB MET 1 0.295 15.517 1.774 6 HB3 MET 1 2HB MET 1 -0.800 16.870 2.024 7 HG2 MET 1 3HG MET 1 -1.622 13.977 1.862 8 HG3 MET 1 2HG MET 1 -1.758 15.162 0.559 9 HE1 MET 1 3HE MET 1 -5.498 14.721 1.590 10 HE2 MET 1 1HE MET 1 -4.262 13.466 1.519 11 HE3 MET 1 2HE MET 1 -4.336 14.704 0.264 12 H LEU 2 H LEU 2 -1.579 13.617 4.924 13 HA LEU 2 HA LEU 2 0.897 12.194 5.428 14 HB2 LEU 2 3HB LEU 2 -0.559 10.454 6.442 15 HB3 LEU 2 2HB LEU 2 -1.968 11.362 5.934 16 HG LEU 2 HG LEU 2 0.070 12.607 7.766 17 HD11 LEU 2 1HD1 LEU 2 -1.582 14.086 6.771 18 HD12 LEU 2 2HD1 LEU 2 -1.833 13.937 8.510 19 HD13 LEU 2 3HD1 LEU 2 -2.884 13.070 7.388 20 HD21 LEU 2 3HD2 LEU 2 -1.221 11.850 9.691 21 HD22 LEU 2 1HD2 LEU 2 -0.559 10.480 8.800 22 HD23 LEU 2 2HD2 LEU 2 -2.266 10.899 8.634 23 H LEU 3 H LEU 3 1.841 10.824 4.045 24 HA LEU 3 HA LEU 3 0.172 9.471 2.009 25 HB2 LEU 3 3HB LEU 3 2.177 9.458 0.560 26 HB3 LEU 3 2HB LEU 3 3.063 10.337 1.791 27 HG LEU 3 HG LEU 3 1.532 12.262 1.508 28 HD11 LEU 3 1HD1 LEU 3 2.793 11.309 -1.067 29 HD12 LEU 3 2HD1 LEU 3 3.609 12.180 0.233 30 HD13 LEU 3 3HD1 LEU 3 2.332 12.972 -0.689 31 HD21 LEU 3 3HD2 LEU 3 0.324 10.600 -0.707 32 HD22 LEU 3 1HD2 LEU 3 -0.020 12.304 -0.400 33 HD23 LEU 3 2HD2 LEU 3 -0.471 11.087 0.791 34 H TYR 4 H TYR 4 -0.028 7.360 2.394 35 HA TYR 4 HA TYR 4 2.184 5.910 3.714 36 HB2 TYR 4 3HB TYR 4 0.239 4.398 4.562 37 HB3 TYR 4 2HB TYR 4 -0.785 5.778 4.183 38 HD1 TYR 4 HD1 TYR 4 0.194 8.110 5.162 39 HD2 TYR 4 HD2 TYR 4 0.989 4.228 6.731 40 HE1 TYR 4 HE1 TYR 4 0.749 9.106 7.342 41 HE2 TYR 4 HE2 TYR 4 1.537 5.218 8.907 42 HH TYR 4 HH TYR 4 2.212 7.248 9.876 43 H VAL 5 H VAL 5 2.305 3.604 3.275 44 HA VAL 5 HA VAL 5 1.147 2.794 0.680 45 HB VAL 5 HB VAL 5 4.026 2.385 1.544 46 HG11 VAL 5 1HG1 VAL 5 3.207 0.452 0.304 47 HG12 VAL 5 2HG1 VAL 5 4.357 1.369 -0.669 48 HG13 VAL 5 3HG1 VAL 5 2.627 1.506 -0.989 49 HG21 VAL 5 3HG2 VAL 5 3.620 4.669 0.807 50 HG22 VAL 5 1HG2 VAL 5 2.859 4.079 -0.672 51 HG23 VAL 5 2HG2 VAL 5 4.578 3.804 -0.395 52 H LEU 6 H LEU 6 0.162 0.857 0.760 53 HA LEU 6 HA LEU 6 0.842 -1.045 2.917 54 HB2 LEU 6 3HB LEU 6 -1.363 -2.131 2.235 55 HB3 LEU 6 2HB LEU 6 -1.651 -0.711 1.245 56 HG LEU 6 HG LEU 6 -1.592 0.703 3.275 57 HD11 LEU 6 1HD1 LEU 6 -3.531 -1.608 3.483 58 HD12 LEU 6 2HD1 LEU 6 -3.729 -0.200 2.440 59 HD13 LEU 6 3HD1 LEU 6 -3.733 -0.005 4.191 60 HD21 LEU 6 3HD2 LEU 6 -1.609 -0.356 5.490 61 HD22 LEU 6 1HD2 LEU 6 -0.098 -0.672 4.636 62 HD23 LEU 6 2HD2 LEU 6 -1.332 -1.928 4.739 63 H ILE 7 H ILE 7 2.246 -2.578 2.262 64 HA ILE 7 HA ILE 7 2.158 -3.456 -0.552 65 HB ILE 7 HB ILE 7 4.301 -2.547 0.097 66 HG12 ILE 7 3HG1 ILE 7 4.311 -4.419 -1.490 67 HG13 ILE 7 2HG1 ILE 7 4.410 -5.567 -0.159 68 HG21 ILE 7 1HG2 ILE 7 4.178 -2.916 2.507 69 HG22 ILE 7 2HG2 ILE 7 5.685 -3.555 1.850 70 HG23 ILE 7 3HG2 ILE 7 4.367 -4.654 2.263 71 HD11 ILE 7 3HD1 ILE 7 6.505 -3.542 -0.908 72 HD12 ILE 7 1HD1 ILE 7 6.569 -5.277 -1.202 73 HD13 ILE 7 2HD1 ILE 7 6.601 -4.664 0.450 74 H ILE 8 H ILE 8 1.476 -5.432 -1.056 75 HA ILE 8 HA ILE 8 1.436 -7.539 1.030 76 HB ILE 8 HB ILE 8 -0.455 -7.254 -1.326 77 HG12 ILE 8 3HG1 ILE 8 -0.795 -5.520 0.434 78 HG13 ILE 8 2HG1 ILE 8 -0.992 -6.801 1.624 79 HG21 ILE 8 1HG2 ILE 8 -1.714 -9.079 -0.242 80 HG22 ILE 8 2HG2 ILE 8 -0.455 -9.209 0.986 81 HG23 ILE 8 3HG2 ILE 8 -0.085 -9.584 -0.697 82 HD11 ILE 8 3HD1 ILE 8 -2.777 -6.276 -0.732 83 HD12 ILE 8 1HD1 ILE 8 -3.136 -5.938 0.957 84 HD13 ILE 8 2HD1 ILE 8 -2.967 -7.605 0.410 85 H SER 9 H SER 9 3.179 -8.836 0.594 86 HA SER 9 HA SER 9 3.342 -10.128 -2.008 87 HB2 SER 9 3HB SER 9 5.670 -8.440 -1.046 88 HB3 SER 9 2HB SER 9 4.619 -8.053 -2.408 89 HG SER 9 HG SER 9 6.126 -9.112 -3.459 90 H ASN 10 H ASN 10 5.281 -11.641 -2.104 91 HA ASN 10 HA ASN 10 5.629 -12.937 0.529 92 HB2 ASN 10 3HB ASN 10 5.636 -14.172 -2.239 93 HB3 ASN 10 2HB ASN 10 4.352 -14.308 -1.040 94 HD21 ASN 10 2HD2 ASN 10 7.585 -16.716 -0.886 95 HD22 ASN 10 1HD2 ASN 10 7.412 -15.477 -2.076 96 H ASP 11 H ASP 11 7.294 -11.849 -2.378 97 HA ASP 11 HA ASP 11 9.854 -12.909 -1.588 98 HB2 ASP 11 3HB ASP 11 10.695 -11.476 -3.508 99 HB3 ASP 11 2HB ASP 11 9.022 -11.003 -3.781 100 H LYS 12 H LYS 12 10.956 -12.055 0.077 101 HA LYS 12 HA LYS 12 10.796 -9.479 1.129 102 HB2 LYS 12 3HB LYS 12 13.185 -9.926 1.924 103 HB3 LYS 12 2HB LYS 12 13.092 -11.445 1.043 104 HG2 LYS 12 3HG LYS 12 12.594 -11.964 3.282 105 HG3 LYS 12 2HG LYS 12 11.050 -11.991 2.430 106 HD2 LYS 12 3HD LYS 12 10.802 -10.854 4.562 107 HD3 LYS 12 2HD LYS 12 10.582 -9.705 3.241 108 HE2 LYS 12 3HE LYS 12 11.948 -8.739 5.020 109 HE3 LYS 12 2HE LYS 12 12.878 -8.912 3.533 110 HZ1 LYS 12 3HZ LYS 12 14.214 -9.626 5.354 111 HZ2 LYS 12 1HZ LYS 12 13.788 -11.002 4.469 112 HZ3 LYS 12 2HZ LYS 12 13.006 -10.661 5.926 113 H LYS 13 H LYS 13 12.271 -10.571 -1.765 114 HA LYS 13 HA LYS 13 14.238 -8.650 -2.263 115 HB2 LYS 13 3HB LYS 13 13.918 -9.164 -4.656 116 HB3 LYS 13 2HB LYS 13 12.407 -9.975 -4.291 117 HG2 LYS 13 3HG LYS 13 15.097 -10.902 -3.290 118 HG3 LYS 13 2HG LYS 13 14.318 -11.500 -4.753 119 HD2 LYS 13 3HD LYS 13 12.311 -12.010 -3.145 120 HD3 LYS 13 2HD LYS 13 13.548 -11.923 -1.888 121 HE2 LYS 13 3HE LYS 13 13.363 -14.200 -2.493 122 HE3 LYS 13 2HE LYS 13 14.864 -13.611 -3.205 123 HZ1 LYS 13 3HZ LYS 13 13.558 -14.985 -4.736 124 HZ2 LYS 13 1HZ LYS 13 13.777 -13.416 -5.326 125 HZ3 LYS 13 2HZ LYS 13 12.289 -13.871 -4.661 126 H LEU 14 H LEU 14 10.818 -8.697 -3.210 127 HA LEU 14 HA LEU 14 10.807 -6.096 -4.373 128 HB2 LEU 14 3HB LEU 14 8.471 -7.755 -3.389 129 HB3 LEU 14 2HB LEU 14 9.247 -7.969 -4.944 130 HG LEU 14 HG LEU 14 8.582 -5.472 -5.357 131 HD11 LEU 14 1HD1 LEU 14 6.526 -7.685 -5.316 132 HD12 LEU 14 2HD1 LEU 14 7.677 -7.353 -6.611 133 HD13 LEU 14 3HD1 LEU 14 6.406 -6.187 -6.242 134 HD21 LEU 14 3HD2 LEU 14 6.511 -4.804 -4.230 135 HD22 LEU 14 1HD2 LEU 14 7.839 -4.972 -3.081 136 HD23 LEU 14 2HD2 LEU 14 6.608 -6.231 -3.196 137 H ILE 15 H ILE 15 9.913 -7.386 -1.204 138 HA ILE 15 HA ILE 15 8.717 -5.080 -0.132 139 HB ILE 15 HB ILE 15 10.236 -7.244 1.344 140 HG12 ILE 15 3HG1 ILE 15 8.378 -8.109 -0.060 141 HG13 ILE 15 2HG1 ILE 15 7.269 -6.999 0.737 142 HG21 ILE 15 1HG2 ILE 15 8.210 -5.241 2.360 143 HG22 ILE 15 2HG2 ILE 15 9.932 -5.272 2.742 144 HG23 ILE 15 3HG2 ILE 15 8.883 -6.577 3.295 145 HD11 ILE 15 3HD1 ILE 15 7.661 -8.137 2.866 146 HD12 ILE 15 1HD1 ILE 15 8.758 -9.258 2.057 147 HD13 ILE 15 2HD1 ILE 15 7.045 -9.236 1.630 148 H GLU 16 H GLU 16 12.125 -6.159 0.044 149 HA GLU 16 HA GLU 16 12.993 -4.005 1.674 150 HB2 GLU 16 3HB GLU 16 15.282 -4.710 1.041 151 HB3 GLU 16 2HB GLU 16 14.600 -5.788 -0.168 152 HG2 GLU 16 3HG GLU 16 13.468 -7.057 1.599 153 HG3 GLU 16 2HG GLU 16 14.146 -5.970 2.808 154 H GLU 17 H GLU 17 13.119 -4.486 -1.874 155 HA GLU 17 HA GLU 17 14.383 -2.045 -2.498 156 HB2 GLU 17 3HB GLU 17 13.225 -2.307 -4.752 157 HB3 GLU 17 2HB GLU 17 12.458 -3.746 -4.094 158 HG2 GLU 17 3HG GLU 17 14.402 -4.315 -5.439 159 HG3 GLU 17 2HG GLU 17 14.634 -4.778 -3.755 160 H ALA 18 H ALA 18 10.940 -2.838 -2.131 161 HA ALA 18 HA ALA 18 9.869 -0.315 -2.736 162 HB1 ALA 18 3HB ALA 18 8.508 -2.340 -2.532 163 HB2 ALA 18 1HB ALA 18 7.891 -1.048 -1.502 164 HB3 ALA 18 2HB ALA 18 8.813 -2.375 -0.795 165 H ARG 19 H ARG 19 10.967 -1.671 0.370 166 HA ARG 19 HA ARG 19 10.437 0.532 2.013 167 HB2 ARG 19 3HB ARG 19 12.362 -0.335 3.414 168 HB3 ARG 19 2HB ARG 19 12.644 -1.530 2.154 169 HG2 ARG 19 3HG ARG 19 10.417 -2.461 2.514 170 HG3 ARG 19 2HG ARG 19 10.102 -1.250 3.757 171 HD2 ARG 19 3HD ARG 19 12.215 -3.408 3.825 172 HD3 ARG 19 2HD ARG 19 10.745 -3.340 4.801 173 HE ARG 19 HE ARG 19 12.324 -1.022 5.194 174 HH11 ARG 19 1HH1 ARG 19 12.190 -4.367 6.029 175 HH12 ARG 19 2HH1 ARG 19 13.056 -4.136 7.508 176 HH21 ARG 19 2HH2 ARG 19 13.747 -2.128 8.099 177 HH22 ARG 19 1HH2 ARG 19 13.439 -0.755 7.091 178 H LYS 20 H LYS 20 13.453 -0.256 0.269 179 HA LYS 20 HA LYS 20 14.992 1.945 0.884 180 HB2 LYS 20 3HB LYS 20 16.043 1.598 -1.390 181 HB3 LYS 20 2HB LYS 20 14.776 0.425 -1.728 182 HG2 LYS 20 3HG LYS 20 15.547 -0.812 0.348 183 HG3 LYS 20 2HG LYS 20 16.945 0.260 0.352 184 HD2 LYS 20 3HD LYS 20 16.164 -1.681 -1.826 185 HD3 LYS 20 2HD LYS 20 17.531 -1.821 -0.726 186 HE2 LYS 20 3HE LYS 20 18.589 -1.022 -2.594 187 HE3 LYS 20 2HE LYS 20 18.224 0.490 -1.767 188 HZ1 LYS 20 3HZ LYS 20 16.595 -0.703 -3.947 189 HZ2 LYS 20 1HZ LYS 20 17.680 0.581 -4.125 190 HZ3 LYS 20 2HZ LYS 20 16.294 0.774 -3.181 191 H MET 21 H MET 21 12.609 1.688 -1.754 192 HA MET 21 HA MET 21 12.877 4.332 -2.710 193 HB2 MET 21 3HB MET 21 10.546 3.928 -3.642 194 HB3 MET 21 2HB MET 21 10.597 2.358 -2.845 195 HG2 MET 21 3HG MET 21 11.209 2.236 -5.214 196 HG3 MET 21 2HG MET 21 12.513 1.709 -4.154 197 HE1 MET 21 3HE MET 21 11.440 5.426 -4.655 198 HE2 MET 21 1HE MET 21 11.128 4.763 -6.262 199 HE3 MET 21 2HE MET 21 12.433 5.926 -6.028 200 H ALA 22 H ALA 22 10.623 2.936 -0.342 201 HA ALA 22 HA ALA 22 9.071 5.196 0.142 202 HB1 ALA 22 3HB ALA 22 9.828 3.017 2.093 203 HB2 ALA 22 1HB ALA 22 8.479 2.971 0.960 204 HB3 ALA 22 2HB ALA 22 8.484 4.144 2.277 205 H GLU 23 H GLU 23 12.191 4.258 1.522 206 HA GLU 23 HA GLU 23 12.374 6.315 3.455 207 HB2 GLU 23 3HB GLU 23 14.771 5.819 3.506 208 HB3 GLU 23 2HB GLU 23 14.638 4.920 2.000 209 HG2 GLU 23 3HG GLU 23 14.772 3.431 3.926 210 HG3 GLU 23 2HG GLU 23 13.235 3.259 3.082 211 H LYS 24 H LYS 24 13.551 6.152 0.087 212 HA LYS 24 HA LYS 24 14.697 8.743 0.024 213 HB2 LYS 24 3HB LYS 24 14.203 8.430 -2.557 214 HB3 LYS 24 2HB LYS 24 13.804 6.789 -2.071 215 HG2 LYS 24 3HG LYS 24 16.450 8.188 -1.687 216 HG3 LYS 24 2HG LYS 24 16.094 6.896 -2.833 217 HD2 LYS 24 3HD LYS 24 15.667 5.354 -0.983 218 HD3 LYS 24 2HD LYS 24 15.991 6.643 0.176 219 HE2 LYS 24 3HE LYS 24 17.956 5.469 -1.792 220 HE3 LYS 24 2HE LYS 24 17.938 5.208 -0.048 221 HZ1 LYS 24 3HZ LYS 24 18.269 7.643 0.201 222 HZ2 LYS 24 1HZ LYS 24 18.497 7.747 -1.471 223 HZ3 LYS 24 2HZ LYS 24 19.566 6.841 -0.531 224 H ALA 25 H ALA 25 11.412 7.624 -0.408 225 HA ALA 25 HA ALA 25 10.499 10.262 -1.294 226 HB1 ALA 25 3HB ALA 25 8.954 7.698 -0.907 227 HB2 ALA 25 1HB ALA 25 9.629 8.276 -2.430 228 HB3 ALA 25 2HB ALA 25 8.340 9.180 -1.638 229 H ASN 26 H ASN 26 11.130 8.848 1.625 230 HA ASN 26 HA ASN 26 10.586 9.252 3.792 231 HB2 ASN 26 3HB ASN 26 9.173 11.737 2.786 232 HB3 ASN 26 2HB ASN 26 10.918 11.627 2.997 233 HD21 ASN 26 2HD2 ASN 26 10.262 11.081 6.658 234 HD22 ASN 26 1HD2 ASN 26 10.810 10.034 5.402 235 H LEU 27 H LEU 27 8.710 7.751 2.047 236 HA LEU 27 HA LEU 27 6.103 8.261 3.282 237 HB2 LEU 27 3HB LEU 27 5.239 6.601 1.725 238 HB3 LEU 27 2HB LEU 27 6.865 6.173 1.230 239 HG LEU 27 HG LEU 27 7.165 8.314 0.148 240 HD11 LEU 27 1HD1 LEU 27 5.458 8.168 -1.603 241 HD12 LEU 27 2HD1 LEU 27 4.503 7.095 -0.579 242 HD13 LEU 27 3HD1 LEU 27 6.085 6.581 -1.163 243 HD21 LEU 27 3HD2 LEU 27 4.426 9.021 1.208 244 HD22 LEU 27 1HD2 LEU 27 5.352 9.980 0.051 245 HD23 LEU 27 2HD2 LEU 27 5.961 9.747 1.688 246 H GLU 28 H GLU 28 5.225 7.000 4.860 247 HA GLU 28 HA GLU 28 6.903 5.004 6.110 248 HB2 GLU 28 3HB GLU 28 4.096 5.871 6.844 249 HB3 GLU 28 2HB GLU 28 5.569 6.640 7.422 250 HG2 GLU 28 3HG GLU 28 6.210 4.358 8.360 251 HG3 GLU 28 2HG GLU 28 4.541 3.886 8.044 252 H LEU 29 H LEU 29 7.023 3.067 5.205 253 HA LEU 29 HA LEU 29 4.818 1.932 3.707 254 HB2 LEU 29 3HB LEU 29 7.614 0.912 4.250 255 HB3 LEU 29 2HB LEU 29 7.099 1.820 2.846 256 HG LEU 29 HG LEU 29 5.452 -0.237 2.514 257 HD11 LEU 29 1HD1 LEU 29 8.401 -0.377 1.870 258 HD12 LEU 29 2HD1 LEU 29 7.178 0.482 0.933 259 HD13 LEU 29 3HD1 LEU 29 7.114 -1.274 1.063 260 HD21 LEU 29 3HD2 LEU 29 7.727 -1.457 4.096 261 HD22 LEU 29 1HD2 LEU 29 6.513 -2.356 3.182 262 HD23 LEU 29 2HD2 LEU 29 6.030 -1.399 4.581 263 H ARG 30 H ARG 30 3.444 0.416 4.369 264 HA ARG 30 HA ARG 30 3.941 -0.972 6.932 265 HB2 ARG 30 3HB ARG 30 1.471 -1.117 7.147 266 HB3 ARG 30 2HB ARG 30 1.301 -0.193 5.664 267 HG2 ARG 30 3HG ARG 30 0.920 1.305 7.453 268 HG3 ARG 30 2HG ARG 30 2.508 1.695 6.795 269 HD2 ARG 30 3HD ARG 30 2.062 -0.045 9.225 270 HD3 ARG 30 2HD ARG 30 2.394 1.685 9.297 271 HE ARG 30 HE ARG 30 4.441 0.621 7.818 272 HH11 ARG 30 1HH1 ARG 30 3.192 0.127 10.986 273 HH12 ARG 30 2HH1 ARG 30 4.729 -0.318 11.636 274 HH21 ARG 30 2HH2 ARG 30 6.535 -0.338 10.332 275 HH22 ARG 30 1HH2 ARG 30 6.399 0.058 8.657 276 H THR 31 H THR 31 4.012 -3.159 6.876 277 HA THR 31 HA THR 31 3.618 -4.483 4.290 278 HB THR 31 HB THR 31 4.735 -6.441 5.389 279 HG1 THR 31 HG1 THR 31 4.230 -5.984 7.565 280 HG21 THR 31 3HG2 THR 31 6.980 -5.433 5.476 281 HG22 THR 31 1HG2 THR 31 6.254 -3.824 5.519 282 HG23 THR 31 2HG2 THR 31 6.060 -4.842 4.092 283 H VAL 32 H VAL 32 1.678 -5.321 3.874 284 HA VAL 32 HA VAL 32 0.031 -6.426 6.036 285 HB VAL 32 HB VAL 32 -0.611 -5.910 3.120 286 HG11 VAL 32 1HG1 VAL 32 -1.851 -7.858 3.917 287 HG12 VAL 32 2HG1 VAL 32 -2.933 -6.481 3.701 288 HG13 VAL 32 3HG1 VAL 32 -2.409 -6.946 5.321 289 HG21 VAL 32 3HG2 VAL 32 -2.088 -4.165 3.993 290 HG22 VAL 32 1HG2 VAL 32 -0.418 -3.882 4.487 291 HG23 VAL 32 2HG2 VAL 32 -1.579 -4.546 5.638 292 H LYS 33 H LYS 33 -0.614 -8.557 6.129 293 HA LYS 33 HA LYS 33 0.893 -10.440 4.417 294 HB2 LYS 33 3HB LYS 33 0.967 -11.951 6.296 295 HB3 LYS 33 2HB LYS 33 -0.145 -10.947 7.217 296 HG2 LYS 33 3HG LYS 33 1.929 -10.466 8.156 297 HG3 LYS 33 2HG LYS 33 1.655 -9.125 7.043 298 HD2 LYS 33 3HD LYS 33 3.068 -10.248 5.360 299 HD3 LYS 33 2HD LYS 33 3.394 -11.538 6.523 300 HE2 LYS 33 3HE LYS 33 4.145 -8.621 6.783 301 HE3 LYS 33 2HE LYS 33 5.240 -9.980 6.539 302 HZ1 LYS 33 3HZ LYS 33 3.578 -9.472 8.948 303 HZ2 LYS 33 1HZ LYS 33 5.258 -9.321 8.834 304 HZ3 LYS 33 2HZ LYS 33 4.536 -10.845 8.713 305 H THR 34 H THR 34 -2.003 -10.493 6.504 306 HA THR 34 HA THR 34 -3.382 -12.200 4.526 307 HB THR 34 HB THR 34 -4.893 -12.848 6.334 308 HG1 THR 34 HG1 THR 34 -4.121 -12.031 8.540 309 HG21 THR 34 3HG2 THR 34 -2.003 -13.001 7.229 310 HG22 THR 34 1HG2 THR 34 -2.792 -14.111 6.107 311 HG23 THR 34 2HG2 THR 34 -3.316 -14.037 7.789 312 H GLU 35 H GLU 35 -5.853 -11.888 4.561 313 HA GLU 35 HA GLU 35 -6.635 -9.304 3.807 314 HB2 GLU 35 3HB GLU 35 -8.372 -11.542 4.892 315 HB3 GLU 35 2HB GLU 35 -7.870 -11.372 3.216 316 HG2 GLU 35 3HG GLU 35 -9.139 -9.346 2.976 317 HG3 GLU 35 2HG GLU 35 -9.536 -9.346 4.694 318 H ASP 36 H ASP 36 -6.938 -11.014 6.894 319 HA ASP 36 HA ASP 36 -8.288 -9.092 8.387 320 HB2 ASP 36 3HB ASP 36 -6.095 -10.924 9.395 321 HB3 ASP 36 2HB ASP 36 -7.760 -11.429 9.122 322 H GLU 37 H GLU 37 -4.784 -9.425 7.800 323 HA GLU 37 HA GLU 37 -3.939 -7.252 9.368 324 HB2 GLU 37 3HB GLU 37 -1.964 -7.194 7.733 325 HB3 GLU 37 2HB GLU 37 -2.754 -8.527 6.903 326 HG2 GLU 37 3HG GLU 37 -1.064 -9.389 8.372 327 HG3 GLU 37 2HG GLU 37 -2.653 -9.853 8.977 328 H LEU 38 H LEU 38 -4.885 -7.335 5.921 329 HA LEU 38 HA LEU 38 -4.414 -4.682 5.245 330 HB2 LEU 38 3HB LEU 38 -6.845 -6.212 4.305 331 HB3 LEU 38 2HB LEU 38 -5.231 -6.670 3.808 332 HG LEU 38 HG LEU 38 -6.200 -5.387 2.043 333 HD11 LEU 38 1HD1 LEU 38 -7.945 -4.247 3.336 334 HD12 LEU 38 2HD1 LEU 38 -7.058 -3.138 2.289 335 HD13 LEU 38 3HD1 LEU 38 -6.724 -3.173 4.022 336 HD21 LEU 38 3HD2 LEU 38 -4.630 -3.542 1.824 337 HD22 LEU 38 1HD2 LEU 38 -3.831 -4.970 2.484 338 HD23 LEU 38 2HD2 LEU 38 -4.263 -3.629 3.547 339 H LYS 39 H LYS 39 -7.471 -6.075 6.456 340 HA LYS 39 HA LYS 39 -8.909 -3.734 6.942 341 HB2 LYS 39 3HB LYS 39 -8.887 -6.410 8.352 342 HB3 LYS 39 2HB LYS 39 -9.967 -5.889 7.069 343 HG2 LYS 39 3HG LYS 39 -11.192 -4.488 8.501 344 HG3 LYS 39 2HG LYS 39 -9.936 -4.514 9.741 345 HD2 LYS 39 3HD LYS 39 -11.660 -6.860 8.918 346 HD3 LYS 39 2HD LYS 39 -11.839 -5.907 10.395 347 HE2 LYS 39 3HE LYS 39 -9.576 -6.599 11.095 348 HE3 LYS 39 2HE LYS 39 -9.437 -7.583 9.639 349 HZ1 LYS 39 3HZ LYS 39 -11.380 -7.970 11.843 350 HZ2 LYS 39 1HZ LYS 39 -10.054 -8.956 11.476 351 HZ3 LYS 39 2HZ LYS 39 -11.360 -8.863 10.409 352 H LYS 40 H LYS 40 -6.728 -5.500 9.094 353 HA LYS 40 HA LYS 40 -6.978 -4.053 11.436 354 HB2 LYS 40 3HB LYS 40 -4.772 -5.678 10.207 355 HB3 LYS 40 2HB LYS 40 -5.833 -6.090 11.542 356 HG2 LYS 40 3HG LYS 40 -4.638 -4.395 12.935 357 HG3 LYS 40 2HG LYS 40 -3.497 -4.194 11.600 358 HD2 LYS 40 3HD LYS 40 -3.160 -6.732 11.728 359 HD3 LYS 40 2HD LYS 40 -4.002 -6.651 13.277 360 HE2 LYS 40 3HE LYS 40 -1.673 -6.592 13.734 361 HE3 LYS 40 2HE LYS 40 -2.306 -4.972 14.022 362 HZ1 LYS 40 3HZ LYS 40 -0.199 -4.968 12.800 363 HZ2 LYS 40 1HZ LYS 40 -1.450 -4.265 11.906 364 HZ3 LYS 40 2HZ LYS 40 -0.926 -5.833 11.540 365 H TYR 41 H TYR 41 -4.721 -3.435 8.734 366 HA TYR 41 HA TYR 41 -3.575 -1.116 9.951 367 HB2 TYR 41 3HB TYR 41 -2.787 -0.669 7.523 368 HB3 TYR 41 2HB TYR 41 -3.500 -2.236 7.154 369 HD1 TYR 41 HD1 TYR 41 -0.860 -0.512 9.053 370 HD2 TYR 41 HD2 TYR 41 -2.428 -4.285 7.863 371 HE1 TYR 41 HE1 TYR 41 1.200 -1.605 9.825 372 HE2 TYR 41 HE2 TYR 41 -0.373 -5.389 8.631 373 HH TYR 41 HH TYR 41 1.975 -3.764 10.542 374 H LEU 42 H LEU 42 -6.301 -1.624 7.754 375 HA LEU 42 HA LEU 42 -6.704 1.016 6.938 376 HB2 LEU 42 3HB LEU 42 -9.128 0.362 6.685 377 HB3 LEU 42 2HB LEU 42 -8.715 -1.184 7.406 378 HG LEU 42 HG LEU 42 -7.221 -1.689 5.542 379 HD11 LEU 42 1HD1 LEU 42 -8.892 -1.905 3.771 380 HD12 LEU 42 2HD1 LEU 42 -9.946 -0.780 4.631 381 HD13 LEU 42 3HD1 LEU 42 -9.549 -2.341 5.349 382 HD21 LEU 42 3HD2 LEU 42 -7.101 -0.221 3.580 383 HD22 LEU 42 1HD2 LEU 42 -6.454 0.566 5.020 384 HD23 LEU 42 2HD2 LEU 42 -8.061 0.992 4.430 385 H GLU 43 H GLU 43 -8.095 -0.624 9.822 386 HA GLU 43 HA GLU 43 -9.497 1.602 10.805 387 HB2 GLU 43 3HB GLU 43 -9.356 0.532 13.039 388 HB3 GLU 43 2HB GLU 43 -8.185 -0.614 12.399 389 HG2 GLU 43 3HG GLU 43 -9.778 -1.688 11.068 390 HG3 GLU 43 2HG GLU 43 -10.908 -0.340 11.173 391 H GLU 44 H GLU 44 -6.128 0.684 11.168 392 HA GLU 44 HA GLU 44 -5.351 2.630 13.055 393 HB2 GLU 44 3HB GLU 44 -3.676 1.394 10.849 394 HB3 GLU 44 2HB GLU 44 -4.043 0.603 12.374 395 HG2 GLU 44 3HG GLU 44 -2.889 2.455 13.559 396 HG3 GLU 44 2HG GLU 44 -2.424 3.113 11.990 397 H PHE 45 H PHE 45 -5.672 2.741 9.541 398 HA PHE 45 HA PHE 45 -4.560 5.400 9.311 399 HB2 PHE 45 3HB PHE 45 -5.217 5.250 6.945 400 HB3 PHE 45 2HB PHE 45 -6.102 3.763 7.282 401 HD1 PHE 45 HD1 PHE 45 -4.956 2.207 5.961 402 HD2 PHE 45 HD2 PHE 45 -2.761 4.745 8.588 403 HE1 PHE 45 HE1 PHE 45 -2.922 0.899 5.530 404 HE2 PHE 45 HE2 PHE 45 -0.726 3.436 8.154 405 HZ PHE 45 HZ PHE 45 -0.805 1.511 6.623 406 H ARG 46 H ARG 46 -7.784 4.025 9.638 407 HA ARG 46 HA ARG 46 -9.396 6.100 8.752 408 HB2 ARG 46 3HB ARG 46 -11.058 5.310 10.502 409 HB3 ARG 46 2HB ARG 46 -9.813 4.207 11.075 410 HG2 ARG 46 3HG ARG 46 -9.757 3.138 8.861 411 HG3 ARG 46 2HG ARG 46 -11.037 4.224 8.318 412 HD2 ARG 46 3HD ARG 46 -11.249 2.224 10.570 413 HD3 ARG 46 2HD ARG 46 -11.932 2.037 8.957 414 HE ARG 46 HE ARG 46 -12.990 4.378 9.895 415 HH11 ARG 46 1HH1 ARG 46 -12.964 1.105 10.991 416 HH12 ARG 46 2HH1 ARG 46 -14.504 1.238 11.759 417 HH21 ARG 46 2HH2 ARG 46 -15.604 3.160 11.724 418 HH22 ARG 46 1HH2 ARG 46 -14.945 4.531 10.901 419 H LYS 47 H LYS 47 -7.497 5.938 11.675 420 HA LYS 47 HA LYS 47 -8.539 7.951 13.233 421 HB2 LYS 47 3HB LYS 47 -6.115 8.368 13.912 422 HB3 LYS 47 2HB LYS 47 -5.671 7.181 12.693 423 HG2 LYS 47 3HG LYS 47 -7.113 5.521 13.872 424 HG3 LYS 47 2HG LYS 47 -7.359 6.715 15.148 425 HD2 LYS 47 3HD LYS 47 -4.770 5.401 14.324 426 HD3 LYS 47 2HD LYS 47 -5.612 5.253 15.865 427 HE2 LYS 47 3HE LYS 47 -4.262 7.729 14.782 428 HE3 LYS 47 2HE LYS 47 -3.701 6.720 16.113 429 HZ1 LYS 47 3HZ LYS 47 -5.652 7.351 17.382 430 HZ2 LYS 47 1HZ LYS 47 -6.206 8.312 16.105 431 HZ3 LYS 47 2HZ LYS 47 -4.779 8.721 16.914 432 H GLU 48 H GLU 48 -6.438 8.321 10.385 433 HA GLU 48 HA GLU 48 -7.003 11.221 10.436 434 HB2 GLU 48 3HB GLU 48 -4.676 11.120 9.019 435 HB3 GLU 48 2HB GLU 48 -4.428 9.793 10.145 436 HG2 GLU 48 3HG GLU 48 -3.501 11.902 10.972 437 HG3 GLU 48 2HG GLU 48 -4.770 11.280 12.028 438 H SER 49 H SER 49 -8.639 9.342 9.057 439 HA SER 49 HA SER 49 -8.142 9.182 6.300 440 HB2 SER 49 3HB SER 49 -10.826 9.573 7.662 441 HB3 SER 49 2HB SER 49 -10.041 8.026 7.367 442 HG SER 49 HG SER 49 -11.422 8.267 5.691 443 H GLN 50 H GLN 50 -8.687 11.898 8.231 444 HA GLN 50 HA GLN 50 -9.870 13.767 6.547 445 HB2 GLN 50 3HB GLN 50 -8.908 15.437 7.973 446 HB3 GLN 50 2HB GLN 50 -7.604 14.361 8.458 447 HG2 GLN 50 3HG GLN 50 -9.160 14.556 10.254 448 HG3 GLN 50 2HG GLN 50 -9.249 12.925 9.598 449 HE21 GLN 50 2HE2 GLN 50 -12.697 13.311 9.682 450 HE22 GLN 50 1HE2 GLN 50 -11.297 12.511 10.303 451 H ASN 51 H ASN 51 -6.369 13.094 6.961 452 HA ASN 51 HA ASN 51 -5.861 14.603 4.462 453 HB2 ASN 51 3HB ASN 51 -3.845 15.507 5.432 454 HB3 ASN 51 2HB ASN 51 -4.037 14.518 6.874 455 HD21 ASN 51 2HD2 ASN 51 -6.223 16.698 8.466 456 HD22 ASN 51 1HD2 ASN 51 -5.449 15.153 8.469 457 H ILE 52 H ILE 52 -5.974 11.548 5.224 458 HA ILE 52 HA ILE 52 -3.200 10.852 4.547 459 HB ILE 52 HB ILE 52 -4.310 9.792 6.550 460 HG12 ILE 52 3HG1 ILE 52 -2.286 8.866 5.405 461 HG13 ILE 52 2HG1 ILE 52 -3.342 7.860 4.418 462 HG21 ILE 52 1HG2 ILE 52 -5.801 8.203 4.455 463 HG22 ILE 52 2HG2 ILE 52 -6.518 9.415 5.515 464 HG23 ILE 52 3HG2 ILE 52 -5.840 7.938 6.199 465 HD11 ILE 52 3HD1 ILE 52 -3.086 7.726 7.414 466 HD12 ILE 52 1HD1 ILE 52 -2.374 6.602 6.255 467 HD13 ILE 52 2HD1 ILE 52 -4.128 6.710 6.414 468 H LYS 53 H LYS 53 -2.589 9.730 2.791 469 HA LYS 53 HA LYS 53 -4.641 8.743 0.902 470 HB2 LYS 53 3HB LYS 53 -3.205 9.408 -0.958 471 HB3 LYS 53 2HB LYS 53 -1.972 9.976 0.154 472 HG2 LYS 53 3HG LYS 53 -2.864 11.991 -0.253 473 HG3 LYS 53 2HG LYS 53 -4.059 11.501 0.946 474 HD2 LYS 53 3HD LYS 53 -4.682 10.635 -1.800 475 HD3 LYS 53 2HD LYS 53 -4.649 12.381 -1.570 476 HE2 LYS 53 3HE LYS 53 -6.892 11.597 -1.226 477 HE3 LYS 53 2HE LYS 53 -6.231 12.146 0.311 478 HZ1 LYS 53 3HZ LYS 53 -7.450 10.078 0.542 479 HZ2 LYS 53 1HZ LYS 53 -5.821 9.857 0.927 480 HZ3 LYS 53 2HZ LYS 53 -6.416 9.311 -0.559 481 H VAL 54 H VAL 54 -4.401 6.575 0.492 482 HA VAL 54 HA VAL 54 -1.842 5.341 1.327 483 HB VAL 54 HB VAL 54 -4.591 4.084 1.391 484 HG11 VAL 54 1HG1 VAL 54 -2.839 2.434 0.999 485 HG12 VAL 54 2HG1 VAL 54 -3.494 2.261 2.626 486 HG13 VAL 54 3HG1 VAL 54 -1.931 3.044 2.383 487 HG21 VAL 54 3HG2 VAL 54 -4.418 4.244 3.826 488 HG22 VAL 54 1HG2 VAL 54 -4.341 5.842 3.083 489 HG23 VAL 54 2HG2 VAL 54 -2.867 5.071 3.671 490 H LEU 55 H LEU 55 -0.676 4.472 -0.236 491 HA LEU 55 HA LEU 55 -1.915 3.561 -2.737 492 HB2 LEU 55 3HB LEU 55 0.994 3.804 -1.928 493 HB3 LEU 55 2HB LEU 55 0.092 4.988 -2.851 494 HG LEU 55 HG LEU 55 0.642 2.169 -3.800 495 HD11 LEU 55 1HD1 LEU 55 -0.008 3.052 -6.000 496 HD12 LEU 55 2HD1 LEU 55 -0.417 4.596 -5.250 497 HD13 LEU 55 3HD1 LEU 55 -1.323 3.142 -4.831 498 HD21 LEU 55 3HD2 LEU 55 2.737 3.394 -3.557 499 HD22 LEU 55 1HD2 LEU 55 2.078 4.726 -4.506 500 HD23 LEU 55 2HD2 LEU 55 2.341 3.154 -5.258 501 H ILE 56 H ILE 56 -2.501 1.449 -2.909 502 HA ILE 56 HA ILE 56 -1.244 -0.506 -1.089 503 HB ILE 56 HB ILE 56 -3.888 -0.722 -2.551 504 HG12 ILE 56 3HG1 ILE 56 -3.950 0.993 -0.791 505 HG13 ILE 56 2HG1 ILE 56 -3.290 -0.154 0.371 506 HG21 ILE 56 1HG2 ILE 56 -2.644 -2.526 -0.466 507 HG22 ILE 56 2HG2 ILE 56 -2.872 -2.906 -2.174 508 HG23 ILE 56 3HG2 ILE 56 -4.273 -2.692 -1.124 509 HD11 ILE 56 3HD1 ILE 56 -5.676 0.121 0.674 510 HD12 ILE 56 1HD1 ILE 56 -5.299 -1.524 0.164 511 HD13 ILE 56 2HD1 ILE 56 -5.962 -0.372 -0.994 512 H LEU 57 H LEU 57 0.256 -1.772 -1.988 513 HA LEU 57 HA LEU 57 0.091 -2.424 -4.853 514 HB2 LEU 57 3HB LEU 57 2.464 -3.189 -4.573 515 HB3 LEU 57 2HB LEU 57 2.408 -2.632 -2.914 516 HG LEU 57 HG LEU 57 3.564 -1.084 -4.500 517 HD11 LEU 57 1HD1 LEU 57 2.251 0.270 -6.031 518 HD12 LEU 57 2HD1 LEU 57 0.800 -0.643 -5.621 519 HD13 LEU 57 3HD1 LEU 57 2.139 -1.438 -6.450 520 HD21 LEU 57 3HD2 LEU 57 2.651 -0.274 -2.380 521 HD22 LEU 57 1HD2 LEU 57 1.111 0.062 -3.170 522 HD23 LEU 57 2HD2 LEU 57 2.557 0.955 -3.640 523 H VAL 58 H VAL 58 -0.762 -4.334 -5.355 524 HA VAL 58 HA VAL 58 -0.679 -6.508 -3.351 525 HB VAL 58 HB VAL 58 -2.742 -7.373 -4.396 526 HG11 VAL 58 1HG1 VAL 58 -2.946 -4.479 -3.544 527 HG12 VAL 58 2HG1 VAL 58 -2.892 -5.873 -2.466 528 HG13 VAL 58 3HG1 VAL 58 -4.265 -5.652 -3.549 529 HG21 VAL 58 3HG2 VAL 58 -2.648 -4.844 -6.053 530 HG22 VAL 58 1HG2 VAL 58 -3.980 -5.997 -6.003 531 HG23 VAL 58 2HG2 VAL 58 -2.419 -6.487 -6.656 532 H SER 59 H SER 59 -0.107 -8.568 -3.953 533 HA SER 59 HA SER 59 1.481 -8.850 -6.335 534 HB2 SER 59 3HB SER 59 0.725 -10.857 -4.194 535 HB3 SER 59 2HB SER 59 2.224 -9.934 -4.296 536 HG SER 59 HG SER 59 2.170 -11.123 -6.555 537 H ASN 60 H ASN 60 -1.816 -9.584 -5.543 538 HA ASN 60 HA ASN 60 -2.136 -10.991 -8.109 539 HB2 ASN 60 3HB ASN 60 -3.572 -12.688 -7.097 540 HB3 ASN 60 2HB ASN 60 -3.347 -11.964 -5.508 541 HD21 ASN 60 2HD2 ASN 60 -0.296 -13.500 -4.900 542 HD22 ASN 60 1HD2 ASN 60 -1.488 -12.364 -4.387 543 H ASP 61 H ASP 61 -4.357 -11.073 -8.904 544 HA ASP 61 HA ASP 61 -5.714 -8.603 -8.656 545 HB2 ASP 61 3HB ASP 61 -7.480 -9.688 -10.043 546 HB3 ASP 61 2HB ASP 61 -6.635 -11.221 -9.858 547 H GLU 62 H GLU 62 -6.357 -11.783 -7.221 548 HA GLU 62 HA GLU 62 -8.802 -11.276 -5.978 549 HB2 GLU 62 3HB GLU 62 -6.461 -12.887 -4.917 550 HB3 GLU 62 2HB GLU 62 -7.694 -13.482 -6.018 551 HG2 GLU 62 3HG GLU 62 -8.247 -12.515 -3.218 552 HG3 GLU 62 2HG GLU 62 -7.990 -14.201 -3.660 553 H GLU 63 H GLU 63 -5.519 -10.706 -4.710 554 HA GLU 63 HA GLU 63 -6.241 -9.463 -2.294 555 HB2 GLU 63 3HB GLU 63 -3.960 -8.596 -2.246 556 HB3 GLU 63 2HB GLU 63 -3.773 -8.908 -3.965 557 HG2 GLU 63 3HG GLU 63 -2.623 -10.579 -2.607 558 HG3 GLU 63 2HG GLU 63 -3.902 -11.297 -3.585 559 H LEU 64 H LEU 64 -5.706 -8.141 -5.532 560 HA LEU 64 HA LEU 64 -5.869 -5.405 -5.043 561 HB2 LEU 64 3HB LEU 64 -7.016 -6.906 -7.409 562 HB3 LEU 64 2HB LEU 64 -5.325 -6.486 -7.224 563 HG LEU 64 HG LEU 64 -7.523 -4.413 -7.333 564 HD11 LEU 64 1HD1 LEU 64 -4.537 -4.215 -7.742 565 HD12 LEU 64 2HD1 LEU 64 -5.431 -3.680 -6.317 566 HD13 LEU 64 3HD1 LEU 64 -5.697 -2.889 -7.871 567 HD21 LEU 64 3HD2 LEU 64 -6.907 -4.076 -9.685 568 HD22 LEU 64 1HD2 LEU 64 -7.564 -5.690 -9.407 569 HD23 LEU 64 2HD2 LEU 64 -5.823 -5.467 -9.598 570 H ASP 65 H ASP 65 -8.494 -7.681 -5.783 571 HA ASP 65 HA ASP 65 -10.618 -5.858 -5.584 572 HB2 ASP 65 3HB ASP 65 -11.948 -8.059 -5.105 573 HB3 ASP 65 2HB ASP 65 -10.409 -8.847 -5.436 574 H LYS 66 H LYS 66 -9.547 -8.260 -3.149 575 HA LYS 66 HA LYS 66 -11.360 -7.514 -1.166 576 HB2 LYS 66 3HB LYS 66 -9.794 -8.599 0.433 577 HB3 LYS 66 2HB LYS 66 -8.583 -8.668 -0.838 578 HG2 LYS 66 3HG LYS 66 -9.725 -10.814 -0.527 579 HG3 LYS 66 2HG LYS 66 -9.980 -10.159 -2.144 580 HD2 LYS 66 3HD LYS 66 -12.050 -11.101 -1.210 581 HD3 LYS 66 2HD LYS 66 -12.197 -9.369 -1.503 582 HE2 LYS 66 3HE LYS 66 -11.829 -8.911 0.861 583 HE3 LYS 66 2HE LYS 66 -11.607 -10.630 1.176 584 HZ1 LYS 66 3HZ LYS 66 -13.874 -11.042 0.570 585 HZ2 LYS 66 1HZ LYS 66 -14.107 -9.425 0.129 586 HZ3 LYS 66 2HZ LYS 66 -13.837 -9.832 1.748 587 H ALA 67 H ALA 67 -8.077 -6.280 -1.755 588 HA ALA 67 HA ALA 67 -7.856 -4.632 0.501 589 HB1 ALA 67 3HB ALA 67 -6.627 -4.213 -2.226 590 HB2 ALA 67 1HB ALA 67 -5.961 -5.215 -0.937 591 HB3 ALA 67 2HB ALA 67 -6.088 -3.470 -0.719 592 H LYS 68 H LYS 68 -9.046 -3.802 -2.780 593 HA LYS 68 HA LYS 68 -9.542 -1.076 -2.060 594 HB2 LYS 68 3HB LYS 68 -9.057 -1.873 -4.394 595 HB3 LYS 68 2HB LYS 68 -10.400 -0.756 -4.243 596 HG2 LYS 68 3HG LYS 68 -11.989 -2.582 -4.461 597 HG3 LYS 68 2HG LYS 68 -10.662 -3.744 -4.552 598 HD2 LYS 68 3HD LYS 68 -9.912 -2.862 -6.634 599 HD3 LYS 68 2HD LYS 68 -10.957 -1.449 -6.491 600 HE2 LYS 68 3HE LYS 68 -11.880 -2.998 -8.107 601 HE3 LYS 68 2HE LYS 68 -12.933 -2.892 -6.698 602 HZ1 LYS 68 3HZ LYS 68 -12.021 -4.965 -5.891 603 HZ2 LYS 68 1HZ LYS 68 -10.999 -5.078 -7.236 604 HZ3 LYS 68 2HZ LYS 68 -12.675 -5.161 -7.435 605 H GLU 69 H GLU 69 -11.607 -3.955 -2.288 606 HA GLU 69 HA GLU 69 -14.099 -2.709 -1.935 607 HB2 GLU 69 3HB GLU 69 -14.791 -4.968 -0.969 608 HB3 GLU 69 2HB GLU 69 -13.118 -5.467 -1.177 609 HG2 GLU 69 3HG GLU 69 -13.320 -4.980 -3.604 610 HG3 GLU 69 2HG GLU 69 -15.029 -4.626 -3.350 611 H LEU 70 H LEU 70 -11.883 -4.066 0.523 612 HA LEU 70 HA LEU 70 -13.407 -3.393 2.785 613 HB2 LEU 70 3HB LEU 70 -11.226 -3.503 4.017 614 HB3 LEU 70 2HB LEU 70 -10.409 -3.648 2.471 615 HG LEU 70 HG LEU 70 -11.608 -5.779 2.056 616 HD11 LEU 70 1HD1 LEU 70 -10.133 -5.731 4.692 617 HD12 LEU 70 2HD1 LEU 70 -9.379 -5.776 3.098 618 HD13 LEU 70 3HD1 LEU 70 -10.366 -7.131 3.644 619 HD21 LEU 70 3HD2 LEU 70 -13.616 -5.364 3.368 620 HD22 LEU 70 1HD2 LEU 70 -12.672 -5.390 4.858 621 HD23 LEU 70 2HD2 LEU 70 -12.835 -6.856 3.891 622 H ALA 71 H ALA 71 -10.637 -1.612 1.375 623 HA ALA 71 HA ALA 71 -10.600 0.565 3.082 624 HB1 ALA 71 3HB ALA 71 -8.865 0.087 1.429 625 HB2 ALA 71 1HB ALA 71 -9.421 1.758 1.316 626 HB3 ALA 71 2HB ALA 71 -9.964 0.565 0.134 627 H GLN 72 H GLN 72 -12.425 0.287 0.024 628 HA GLN 72 HA GLN 72 -13.585 2.827 0.001 629 HB2 GLN 72 3HB GLN 72 -15.398 1.743 -1.387 630 HB3 GLN 72 2HB GLN 72 -14.640 0.193 -1.048 631 HG2 GLN 72 3HG GLN 72 -12.565 1.011 -2.115 632 HG3 GLN 72 2HG GLN 72 -13.398 2.509 -2.527 633 HE21 GLN 72 2HE2 GLN 72 -14.058 -0.885 -4.648 634 HE22 GLN 72 1HE2 GLN 72 -13.189 -0.904 -3.157 635 H LYS 73 H LYS 73 -14.780 -0.163 1.533 636 HA LYS 73 HA LYS 73 -17.180 1.070 2.516 637 HB2 LYS 73 3HB LYS 73 -17.405 -1.044 3.852 638 HB3 LYS 73 2HB LYS 73 -15.845 -1.551 3.218 639 HG2 LYS 73 3HG LYS 73 -16.728 -1.531 0.950 640 HG3 LYS 73 2HG LYS 73 -18.286 -0.951 1.543 641 HD2 LYS 73 3HD LYS 73 -16.998 -3.606 2.199 642 HD3 LYS 73 2HD LYS 73 -18.373 -3.350 1.125 643 HE2 LYS 73 3HE LYS 73 -18.310 -2.774 4.091 644 HE3 LYS 73 2HE LYS 73 -19.100 -4.148 3.322 645 HZ1 LYS 73 3HZ LYS 73 -20.640 -2.337 3.889 646 HZ2 LYS 73 1HZ LYS 73 -20.623 -2.674 2.233 647 HZ3 LYS 73 2HZ LYS 73 -19.824 -1.308 2.826 648 H MET 74 H MET 74 -13.931 0.789 3.715 649 HA MET 74 HA MET 74 -14.727 1.536 6.425 650 HB2 MET 74 3HB MET 74 -12.343 1.243 6.986 651 HB3 MET 74 2HB MET 74 -11.987 0.933 5.291 652 HG2 MET 74 3HG MET 74 -13.348 -1.068 5.331 653 HG3 MET 74 2HG MET 74 -13.846 -0.733 6.986 654 HE1 MET 74 3HE MET 74 -12.321 -1.015 9.096 655 HE2 MET 74 1HE MET 74 -11.242 0.209 8.420 656 HE3 MET 74 2HE MET 74 -10.585 -1.316 9.011 657 H GLU 75 H GLU 75 -14.632 3.298 3.814 658 HA GLU 75 HA GLU 75 -14.760 5.554 3.549 659 HB2 GLU 75 3HB GLU 75 -14.613 7.021 5.553 660 HB3 GLU 75 2HB GLU 75 -14.109 5.630 6.502 661 HG2 GLU 75 3HG GLU 75 -16.285 4.536 5.880 662 HG3 GLU 75 2HG GLU 75 -16.778 6.079 5.183 663 H ILE 76 H ILE 76 -12.166 4.127 3.186 664 HA ILE 76 HA ILE 76 -10.314 6.388 3.659 665 HB ILE 76 HB ILE 76 -9.604 3.460 3.361 666 HG12 ILE 76 3HG1 ILE 76 -10.712 3.928 5.502 667 HG13 ILE 76 2HG1 ILE 76 -9.599 5.258 5.806 668 HG21 ILE 76 1HG2 ILE 76 -7.866 4.961 2.489 669 HG22 ILE 76 2HG2 ILE 76 -7.334 4.145 3.958 670 HG23 ILE 76 3HG2 ILE 76 -7.847 5.830 4.025 671 HD11 ILE 76 3HD1 ILE 76 -7.741 3.691 5.911 672 HD12 ILE 76 1HD1 ILE 76 -8.850 2.356 5.593 673 HD13 ILE 76 2HD1 ILE 76 -9.000 3.290 7.080 674 H ASP 77 H ASP 77 -9.638 7.451 1.907 675 HA ASP 77 HA ASP 77 -10.051 6.500 -0.766 676 HB2 ASP 77 3HB ASP 77 -8.895 8.574 -1.449 677 HB3 ASP 77 2HB ASP 77 -8.444 8.872 0.229 678 H VAL 78 H VAL 78 -8.834 4.942 -1.635 679 HA VAL 78 HA VAL 78 -5.925 4.925 -1.087 680 HB VAL 78 HB VAL 78 -5.924 2.485 -1.215 681 HG11 VAL 78 1HG1 VAL 78 -7.079 1.982 0.886 682 HG12 VAL 78 2HG1 VAL 78 -7.966 3.504 0.767 683 HG13 VAL 78 3HG1 VAL 78 -6.216 3.517 0.979 684 HG21 VAL 78 3HG2 VAL 78 -8.923 2.723 -1.517 685 HG22 VAL 78 1HG2 VAL 78 -8.041 1.215 -1.263 686 HG23 VAL 78 2HG2 VAL 78 -7.789 2.146 -2.740 687 H ARG 79 H ARG 79 -4.601 3.906 -2.747 688 HA ARG 79 HA ARG 79 -5.840 3.764 -5.427 689 HB2 ARG 79 3HB ARG 79 -3.635 4.467 -6.367 690 HB3 ARG 79 2HB ARG 79 -3.049 4.732 -4.729 691 HG2 ARG 79 3HG ARG 79 -4.707 6.481 -4.392 692 HG3 ARG 79 2HG ARG 79 -5.361 6.192 -6.006 693 HD2 ARG 79 3HD ARG 79 -2.545 7.110 -5.389 694 HD3 ARG 79 2HD ARG 79 -3.858 8.146 -5.949 695 HE ARG 79 HE ARG 79 -3.481 6.014 -7.761 696 HH11 ARG 79 1HH1 ARG 79 -2.079 8.993 -6.763 697 HH12 ARG 79 2HH1 ARG 79 -1.295 9.265 -8.278 698 HH21 ARG 79 2HH2 ARG 79 -1.469 7.771 -9.909 699 HH22 ARG 79 1HH2 ARG 79 -2.447 6.359 -9.702 700 H THR 80 H THR 80 -6.072 1.612 -5.719 701 HA THR 80 HA THR 80 -4.060 -0.257 -4.737 702 HB THR 80 HB THR 80 -5.658 -2.006 -5.602 703 HG1 THR 80 HG1 THR 80 -7.827 -0.411 -5.736 704 HG21 THR 80 3HG2 THR 80 -7.312 -1.677 -3.830 705 HG22 THR 80 1HG2 THR 80 -6.798 0.002 -3.652 706 HG23 THR 80 2HG2 THR 80 -5.685 -1.309 -3.258 707 H ARG 81 H ARG 81 -2.511 -1.157 -5.948 708 HA ARG 81 HA ARG 81 -2.914 -1.425 -8.842 709 HB2 ARG 81 3HB ARG 81 -0.437 -0.779 -9.120 710 HB3 ARG 81 2HB ARG 81 -0.562 -0.087 -7.507 711 HG2 ARG 81 3HG ARG 81 -0.873 1.634 -9.174 712 HG3 ARG 81 2HG ARG 81 -2.385 1.374 -8.297 713 HD2 ARG 81 3HD ARG 81 -3.157 -0.090 -10.147 714 HD3 ARG 81 2HD ARG 81 -1.682 0.296 -11.031 715 HE ARG 81 HE ARG 81 -3.439 2.492 -10.220 716 HH11 ARG 81 1HH1 ARG 81 -2.124 0.521 -12.724 717 HH12 ARG 81 2HH1 ARG 81 -2.695 1.551 -13.984 718 HH21 ARG 81 2HH2 ARG 81 -3.858 3.371 -13.504 719 HH22 ARG 81 1HH2 ARG 81 -4.174 3.803 -11.862 720 H LYS 82 H LYS 82 -2.210 -3.285 -9.699 721 HA LYS 82 HA LYS 82 -1.150 -5.314 -7.905 722 HB2 LYS 82 3HB LYS 82 -2.114 -5.455 -10.771 723 HB3 LYS 82 2HB LYS 82 -3.044 -5.871 -9.338 724 HG2 LYS 82 3HG LYS 82 -1.566 -7.745 -8.881 725 HG3 LYS 82 2HG LYS 82 -0.558 -7.308 -10.265 726 HD2 LYS 82 3HD LYS 82 -3.459 -8.158 -10.375 727 HD3 LYS 82 2HD LYS 82 -2.071 -9.147 -10.830 728 HE2 LYS 82 3HE LYS 82 -1.515 -7.569 -12.615 729 HE3 LYS 82 2HE LYS 82 -2.876 -6.551 -12.151 730 HZ1 LYS 82 3HZ LYS 82 -3.420 -7.933 -14.042 731 HZ2 LYS 82 1HZ LYS 82 -4.378 -8.348 -12.713 732 HZ3 LYS 82 2HZ LYS 82 -3.081 -9.333 -13.158 733 H VAL 83 H VAL 83 0.974 -5.685 -7.735 734 HA VAL 83 HA VAL 83 2.705 -5.122 -10.066 735 HB VAL 83 HB VAL 83 4.528 -4.550 -8.487 736 HG11 VAL 83 1HG1 VAL 83 3.681 -2.338 -7.854 737 HG12 VAL 83 2HG1 VAL 83 2.030 -2.877 -8.159 738 HG13 VAL 83 3HG1 VAL 83 3.185 -2.773 -9.490 739 HG21 VAL 83 3HG2 VAL 83 2.374 -4.701 -6.361 740 HG22 VAL 83 1HG2 VAL 83 4.012 -4.092 -6.128 741 HG23 VAL 83 2HG2 VAL 83 3.753 -5.789 -6.523 742 H THR 84 H THR 84 4.066 -6.687 -10.716 743 HA THR 84 HA THR 84 4.370 -9.096 -9.018 744 HB THR 84 HB THR 84 4.795 -10.373 -11.092 745 HG1 THR 84 HG1 THR 84 4.886 -9.418 -13.016 746 HG21 THR 84 3HG2 THR 84 2.507 -10.350 -11.975 747 HG22 THR 84 1HG2 THR 84 2.206 -8.812 -11.166 748 HG23 THR 84 2HG2 THR 84 2.507 -10.265 -10.213 749 H SER 85 H SER 85 6.012 -6.747 -11.041 750 HA SER 85 HA SER 85 8.633 -7.919 -10.424 751 HB2 SER 85 3HB SER 85 9.516 -6.268 -12.062 752 HB3 SER 85 2HB SER 85 7.883 -5.637 -12.283 753 HG SER 85 HG SER 85 7.536 -7.195 -13.639 754 HA PRO 86 HA PRO 86 9.371 -5.225 -6.940 755 HB2 PRO 86 2HB PRO 86 12.172 -5.264 -8.003 756 HB3 PRO 86 3HB PRO 86 11.587 -5.566 -6.362 757 HG2 PRO 86 3HG PRO 86 10.877 -7.728 -6.873 758 HG3 PRO 86 2HG PRO 86 12.314 -7.598 -7.906 759 HD2 PRO 86 3HD PRO 86 9.885 -8.248 -8.901 760 HD3 PRO 86 2HD PRO 86 11.058 -7.290 -9.829 761 H ASP 87 H ASP 87 10.767 -4.384 -10.094 762 HA ASP 87 HA ASP 87 11.400 -1.708 -9.503 763 HB2 ASP 87 3HB ASP 87 10.726 -2.912 -12.195 764 HB3 ASP 87 2HB ASP 87 12.320 -2.909 -11.440 765 H GLU 88 H GLU 88 8.394 -3.189 -10.538 766 HA GLU 88 HA GLU 88 7.009 -0.857 -11.296 767 HB2 GLU 88 3HB GLU 88 4.972 -2.177 -10.964 768 HB3 GLU 88 2HB GLU 88 5.882 -3.377 -10.052 769 HG2 GLU 88 3HG GLU 88 5.498 -4.204 -12.263 770 HG3 GLU 88 2HG GLU 88 7.215 -3.863 -12.071 771 H ALA 89 H ALA 89 6.956 -2.624 -8.190 772 HA ALA 89 HA ALA 89 5.500 -0.803 -6.675 773 HB1 ALA 89 3HB ALA 89 6.545 -1.804 -4.713 774 HB2 ALA 89 1HB ALA 89 7.803 -2.516 -5.725 775 HB3 ALA 89 2HB ALA 89 6.130 -3.050 -5.891 776 H LYS 90 H LYS 90 8.994 -0.902 -7.312 777 HA LYS 90 HA LYS 90 9.855 1.277 -5.845 778 HB2 LYS 90 3HB LYS 90 11.571 1.568 -7.725 779 HB3 LYS 90 2HB LYS 90 10.755 0.238 -8.535 780 HG2 LYS 90 3HG LYS 90 11.209 -1.175 -6.537 781 HG3 LYS 90 2HG LYS 90 12.161 0.150 -5.874 782 HD2 LYS 90 3HD LYS 90 12.715 -1.383 -8.420 783 HD3 LYS 90 2HD LYS 90 13.636 -1.451 -6.925 784 HE2 LYS 90 3HE LYS 90 14.920 -0.078 -8.304 785 HE3 LYS 90 2HE LYS 90 14.054 1.055 -7.271 786 HZ1 LYS 90 3HZ LYS 90 13.155 0.317 -10.009 787 HZ2 LYS 90 1HZ LYS 90 14.110 1.671 -9.660 788 HZ3 LYS 90 2HZ LYS 90 12.550 1.559 -9.025 789 H ARG 91 H ARG 91 8.609 1.320 -9.207 790 HA ARG 91 HA ARG 91 8.836 4.126 -9.490 791 HB2 ARG 91 3HB ARG 91 7.038 2.214 -10.997 792 HB3 ARG 91 2HB ARG 91 8.673 2.686 -11.455 793 HG2 ARG 91 3HG ARG 91 7.963 4.979 -11.773 794 HG3 ARG 91 2HG ARG 91 6.347 4.591 -11.196 795 HD2 ARG 91 3HD ARG 91 6.106 3.022 -13.129 796 HD3 ARG 91 2HD ARG 91 7.644 3.640 -13.743 797 HE ARG 91 HE ARG 91 5.876 5.776 -13.182 798 HH11 ARG 91 1HH1 ARG 91 6.386 3.286 -15.506 799 HH12 ARG 91 2HH1 ARG 91 5.588 4.157 -16.767 800 HH21 ARG 91 2HH2 ARG 91 4.706 6.168 -16.353 801 HH22 ARG 91 1HH2 ARG 91 4.859 6.869 -14.776 802 H TRP 92 H TRP 92 5.997 2.093 -8.675 803 HA TRP 92 HA TRP 92 4.094 4.125 -8.661 804 HB2 TRP 92 3HB TRP 92 2.837 2.602 -7.020 805 HB3 TRP 92 2HB TRP 92 4.217 1.516 -7.153 806 HD1 TRP 92 HD1 TRP 92 4.108 -0.189 -9.103 807 HE1 TRP 92 HE1 TRP 92 2.691 -0.444 -11.240 808 HE3 TRP 92 HE3 TRP 92 1.515 4.218 -8.892 809 HZ2 TRP 92 HZ2 TRP 92 0.724 1.018 -12.634 810 HZ3 TRP 92 HZ3 TRP 92 -0.121 4.709 -10.665 811 HH2 TRP 92 HH2 TRP 92 -0.506 3.142 -12.498 812 H ILE 93 H ILE 93 6.200 3.082 -5.978 813 HA ILE 93 HA ILE 93 5.184 4.861 -4.037 814 HB ILE 93 HB ILE 93 7.985 3.752 -4.361 815 HG12 ILE 93 3HG1 ILE 93 6.241 2.054 -4.014 816 HG13 ILE 93 2HG1 ILE 93 5.664 2.918 -2.592 817 HG21 ILE 93 1HG2 ILE 93 8.062 5.788 -3.013 818 HG22 ILE 93 2HG2 ILE 93 8.345 4.368 -2.005 819 HG23 ILE 93 3HG2 ILE 93 6.773 5.170 -1.979 820 HD11 ILE 93 3HD1 ILE 93 8.351 1.605 -2.896 821 HD12 ILE 93 1HD1 ILE 93 6.987 1.007 -1.952 822 HD13 ILE 93 2HD1 ILE 93 7.800 2.498 -1.478 823 H LYS 94 H LYS 94 7.756 5.278 -6.460 824 HA LYS 94 HA LYS 94 8.475 7.928 -5.857 825 HB2 LYS 94 3HB LYS 94 8.545 6.302 -8.394 826 HB3 LYS 94 2HB LYS 94 9.881 6.739 -7.340 827 HG2 LYS 94 3HG LYS 94 9.765 9.039 -8.072 828 HG3 LYS 94 2HG LYS 94 8.338 8.685 -9.049 829 HD2 LYS 94 3HD LYS 94 9.744 7.034 -10.332 830 HD3 LYS 94 2HD LYS 94 11.148 7.663 -9.464 831 HE2 LYS 94 3HE LYS 94 10.949 8.733 -11.638 832 HE3 LYS 94 2HE LYS 94 10.680 9.907 -10.349 833 HZ1 LYS 94 3HZ LYS 94 8.318 9.756 -10.708 834 HZ2 LYS 94 1HZ LYS 94 8.521 8.546 -11.871 835 HZ3 LYS 94 2HZ LYS 94 9.076 10.112 -12.172 836 H GLU 95 H GLU 95 6.191 6.805 -8.380 837 HA GLU 95 HA GLU 95 5.267 9.262 -9.260 838 HB2 GLU 95 3HB GLU 95 3.331 8.091 -10.132 839 HB3 GLU 95 2HB GLU 95 3.555 6.776 -8.989 840 HG2 GLU 95 3HG GLU 95 4.281 5.984 -11.086 841 HG3 GLU 95 2HG GLU 95 5.725 6.263 -10.119 842 H PHE 96 H PHE 96 4.082 7.268 -6.582 843 HA PHE 96 HA PHE 96 1.823 8.803 -5.904 844 HB2 PHE 96 3HB PHE 96 3.501 7.084 -4.059 845 HB3 PHE 96 2HB PHE 96 2.275 6.462 -5.158 846 HD1 PHE 96 HD1 PHE 96 2.890 7.550 -1.869 847 HD2 PHE 96 HD2 PHE 96 -0.112 7.523 -4.897 848 HE1 PHE 96 HE1 PHE 96 1.157 7.862 -0.153 849 HE2 PHE 96 HE2 PHE 96 -1.844 7.837 -3.181 850 HZ PHE 96 HZ PHE 96 -1.212 8.005 -0.808 851 H SER 97 H SER 97 5.172 8.945 -4.680 852 HA SER 97 HA SER 97 4.712 10.970 -2.743 853 HB2 SER 97 3HB SER 97 6.748 9.537 -2.763 854 HB3 SER 97 2HB SER 97 7.132 11.253 -2.669 855 HG SER 97 HG SER 97 7.343 9.525 -4.899 856 H GLU 98 H GLU 98 5.286 11.089 -6.191 857 HA GLU 98 HA GLU 98 5.758 13.929 -6.273 858 HB2 GLU 98 3HB GLU 98 5.597 13.677 -8.712 859 HB3 GLU 98 2HB GLU 98 5.022 12.025 -8.509 860 HG2 GLU 98 3HG GLU 98 7.130 11.349 -7.572 861 HG3 GLU 98 2HG GLU 98 7.709 13.013 -7.561 862 H GLU 99 H GLU 99 2.946 11.963 -6.085 863 HA GLU 99 HA GLU 99 1.071 13.784 -7.249 864 HB2 GLU 99 3HB GLU 99 -0.633 12.443 -6.029 865 HB3 GLU 99 2HB GLU 99 0.658 11.607 -5.178 866 HG2 GLU 99 3HG GLU 99 -0.020 10.150 -6.882 867 HG3 GLU 99 2HG GLU 99 1.498 10.850 -7.433 868 H GLY 100 H GLY 100 1.594 12.926 -3.818 869 HA2 GLY 100 3HA GLY 100 2.046 15.470 -2.817 870 HA3 GLY 100 2HA GLY 100 1.422 14.132 -1.875 871 H GLY 101 H GLY 101 -0.994 14.255 -3.891 872 HA2 GLY 101 3HA GLY 101 -2.720 15.825 -2.269 873 HA3 GLY 101 2HA GLY 101 -3.111 15.158 -3.849 874 H SER 102 H SER 102 -2.561 17.984 -2.119 875 HA SER 102 HA SER 102 -1.249 19.643 -3.968 876 HB2 SER 102 3HB SER 102 -3.204 19.285 -5.411 877 HB3 SER 102 2HB SER 102 -3.135 20.960 -4.871 878 HG SER 102 HG SER 102 -4.636 20.163 -3.125 879 H LEU 103 H LEU 103 -0.406 21.109 -2.621 880 HA LEU 103 HA LEU 103 -1.584 21.830 -0.123 881 HB2 LEU 103 3HB LEU 103 0.242 23.506 -0.001 882 HB3 LEU 103 2HB LEU 103 0.661 23.148 -1.666 883 HG LEU 103 HG LEU 103 1.273 20.850 -1.022 884 HD11 LEU 103 1HD1 LEU 103 3.292 21.386 0.237 885 HD12 LEU 103 2HD1 LEU 103 2.614 22.953 0.680 886 HD13 LEU 103 3HD1 LEU 103 2.984 22.598 -1.008 887 HD21 LEU 103 3HD2 LEU 103 1.406 20.242 1.363 888 HD22 LEU 103 1HD2 LEU 103 -0.253 20.527 0.840 889 HD23 LEU 103 2HD2 LEU 103 0.598 21.751 1.784 890 H GLU 104 H GLU 104 -1.291 23.476 -3.253 891 HA GLU 104 HA GLU 104 -2.667 25.836 -2.451 892 HB2 GLU 104 3HB GLU 104 -2.917 26.093 -5.033 893 HB3 GLU 104 2HB GLU 104 -1.878 24.679 -5.112 894 HG2 GLU 104 3HG GLU 104 -1.235 27.378 -3.950 895 HG3 GLU 104 2HG GLU 104 -0.504 26.602 -5.352 896 H HIS 105 H HIS 105 -4.490 24.760 -1.362 897 HA HIS 105 HA HIS 105 -6.645 23.948 -3.178 898 HB2 HIS 105 3HB HIS 105 -6.863 24.217 -0.173 899 HB3 HIS 105 2HB HIS 105 -6.159 22.791 -0.926 900 HD1 HIS 105 HD1 HIS 105 -7.734 21.096 -1.948 901 HD2 HIS 105 HD2 HIS 105 -9.680 24.524 -0.637 902 HE1 HIS 105 HE1 HIS 105 -10.181 20.571 -2.083 903 HE2 HIS 105 HE2 HIS 105 -11.339 22.694 -1.408 904 H HIS 106 H HIS 106 -5.397 26.702 -1.653 905 HA HIS 106 HA HIS 106 -7.759 28.308 -1.532 906 HB2 HIS 106 3HB HIS 106 -4.810 29.000 -1.605 907 HB3 HIS 106 2HB HIS 106 -5.844 28.901 -0.185 908 HD1 HIS 106 HD1 HIS 106 -4.341 31.326 -2.266 909 HD2 HIS 106 HD2 HIS 106 -8.075 30.978 -0.478 910 HE1 HIS 106 HE1 HIS 106 -5.278 33.652 -2.206 911 HE2 HIS 106 HE2 HIS 106 -7.451 33.437 -0.963 912 H HIS 107 H HIS 107 -5.662 27.308 -4.063 913 HA HIS 107 HA HIS 107 -7.325 28.705 -6.004 914 HB2 HIS 107 3HB HIS 107 -4.302 28.965 -5.963 915 HB3 HIS 107 2HB HIS 107 -5.468 30.263 -5.721 916 HD1 HIS 107 HD1 HIS 107 -3.492 28.667 -8.299 917 HD2 HIS 107 HD2 HIS 107 -7.085 30.751 -8.150 918 HE1 HIS 107 HE1 HIS 107 -3.964 29.364 -10.664 919 HE2 HIS 107 HE2 HIS 107 -6.189 30.535 -10.565 920 H HIS 108 H HIS 108 -8.104 27.012 -7.112 921 HA HIS 108 HA HIS 108 -6.277 24.796 -7.800 922 HB2 HIS 108 3HB HIS 108 -9.294 24.861 -7.532 923 HB3 HIS 108 2HB HIS 108 -8.152 24.051 -6.464 924 HD1 HIS 108 HD1 HIS 108 -10.412 23.325 -9.101 925 HD2 HIS 108 HD2 HIS 108 -6.643 21.936 -8.039 926 HE1 HIS 108 HE1 HIS 108 -10.146 21.135 -10.286 927 HE2 HIS 108 HE2 HIS 108 -7.779 20.439 -9.813 928 H HIS 109 H HIS 109 -5.504 24.949 -9.824 929 HA HIS 109 HA HIS 109 -6.879 26.252 -11.967 930 HB2 HIS 109 3HB HIS 109 -4.413 26.040 -11.908 931 HB3 HIS 109 2HB HIS 109 -5.095 25.395 -13.396 932 HD1 HIS 109 HD1 HIS 109 -3.148 24.423 -10.392 933 HD2 HIS 109 HD2 HIS 109 -4.929 22.555 -13.654 934 HE1 HIS 109 HE1 HIS 109 -2.227 22.088 -10.421 935 HE2 HIS 109 HE2 HIS 109 -3.244 21.006 -12.447 936 H HIS 110 H HIS 110 -7.732 25.245 -13.901 937 HA HIS 110 HA HIS 110 -9.314 22.915 -13.358 938 HB2 HIS 110 3HB HIS 110 -8.911 24.410 -15.963 939 HB3 HIS 110 2HB HIS 110 -10.138 24.774 -14.753 940 HD1 HIS 110 HD1 HIS 110 -9.255 22.217 -17.369 941 HD2 HIS 110 HD2 HIS 110 -12.384 23.144 -14.797 942 HE1 HIS 110 HE1 HIS 110 -11.177 20.792 -18.110 943 HE2 HIS 110 HE2 HIS 110 -12.996 21.244 -16.436 Start of MODEL 17 1 H1 MET 1 1H MET 1 -0.736 17.217 5.347 2 H2 MET 1 2H MET 1 -1.045 18.191 3.998 3 H3 MET 1 3H MET 1 0.420 17.352 4.119 4 HA MET 1 HA MET 1 -2.255 16.084 3.895 5 HB2 MET 1 3HB MET 1 -0.082 16.103 1.793 6 HB3 MET 1 2HB MET 1 -1.304 17.367 1.864 7 HG2 MET 1 3HG MET 1 -1.878 14.424 1.542 8 HG3 MET 1 2HG MET 1 -1.853 15.614 0.237 9 HE1 MET 1 3HE MET 1 -5.683 14.917 0.544 10 HE2 MET 1 1HE MET 1 -4.366 13.753 0.682 11 HE3 MET 1 2HE MET 1 -4.301 15.018 -0.546 12 H LEU 2 H LEU 2 -2.243 13.830 4.151 13 HA LEU 2 HA LEU 2 0.306 12.725 5.145 14 HB2 LEU 2 3HB LEU 2 -1.030 11.049 6.314 15 HB3 LEU 2 2HB LEU 2 -2.499 11.698 5.611 16 HG LEU 2 HG LEU 2 -0.762 13.480 7.285 17 HD11 LEU 2 1HD1 LEU 2 -2.624 14.469 6.074 18 HD12 LEU 2 2HD1 LEU 2 -2.880 14.551 7.815 19 HD13 LEU 2 3HD1 LEU 2 -3.741 13.349 6.854 20 HD21 LEU 2 3HD2 LEU 2 -1.950 12.782 9.304 21 HD22 LEU 2 1HD2 LEU 2 -1.006 11.455 8.624 22 HD23 LEU 2 2HD2 LEU 2 -2.756 11.503 8.394 23 H LEU 3 H LEU 3 1.247 10.964 4.273 24 HA LEU 3 HA LEU 3 -0.137 9.566 2.066 25 HB2 LEU 3 3HB LEU 3 2.014 9.506 0.845 26 HB3 LEU 3 2HB LEU 3 2.754 10.470 2.108 27 HG LEU 3 HG LEU 3 1.219 12.347 1.536 28 HD11 LEU 3 1HD1 LEU 3 3.469 12.204 0.547 29 HD12 LEU 3 2HD1 LEU 3 2.312 12.984 -0.532 30 HD13 LEU 3 3HD1 LEU 3 2.798 11.313 -0.822 31 HD21 LEU 3 3HD2 LEU 3 0.355 10.517 -0.698 32 HD22 LEU 3 1HD2 LEU 3 -0.038 12.232 -0.583 33 HD23 LEU 3 2HD2 LEU 3 -0.641 11.107 0.632 34 H TYR 4 H TYR 4 -0.235 7.427 2.408 35 HA TYR 4 HA TYR 4 1.901 6.095 3.963 36 HB2 TYR 4 3HB TYR 4 0.101 4.568 4.859 37 HB3 TYR 4 2HB TYR 4 -1.090 5.663 4.167 38 HD1 TYR 4 HD1 TYR 4 -1.169 8.066 5.024 39 HD2 TYR 4 HD2 TYR 4 1.059 5.005 6.971 40 HE1 TYR 4 HE1 TYR 4 -1.109 9.417 7.077 41 HE2 TYR 4 HE2 TYR 4 1.120 6.349 9.025 42 HH TYR 4 HH TYR 4 0.942 8.715 9.680 43 H VAL 5 H VAL 5 2.156 3.780 3.502 44 HA VAL 5 HA VAL 5 1.030 2.893 0.927 45 HB VAL 5 HB VAL 5 3.969 2.690 1.641 46 HG11 VAL 5 1HG1 VAL 5 3.203 0.770 0.350 47 HG12 VAL 5 2HG1 VAL 5 4.252 1.794 -0.628 48 HG13 VAL 5 3HG1 VAL 5 2.506 1.843 -0.865 49 HG21 VAL 5 3HG2 VAL 5 3.391 4.978 1.034 50 HG22 VAL 5 1HG2 VAL 5 2.612 4.410 -0.445 51 HG23 VAL 5 2HG2 VAL 5 4.356 4.230 -0.239 52 H LEU 6 H LEU 6 0.336 0.837 0.954 53 HA LEU 6 HA LEU 6 1.382 -1.035 2.991 54 HB2 LEU 6 3HB LEU 6 -0.816 -2.199 2.835 55 HB3 LEU 6 2HB LEU 6 -1.392 -0.927 1.776 56 HG LEU 6 HG LEU 6 -1.196 0.704 3.597 57 HD11 LEU 6 1HD1 LEU 6 -2.736 -1.786 4.350 58 HD12 LEU 6 2HD1 LEU 6 -3.305 -0.470 3.321 59 HD13 LEU 6 3HD1 LEU 6 -2.993 -0.177 5.032 60 HD21 LEU 6 3HD2 LEU 6 0.692 -0.298 4.798 61 HD22 LEU 6 1HD2 LEU 6 -0.333 -1.648 5.288 62 HD23 LEU 6 2HD2 LEU 6 -0.676 -0.022 5.876 63 H ILE 7 H ILE 7 2.300 -2.871 2.209 64 HA ILE 7 HA ILE 7 1.894 -3.480 -0.656 65 HB ILE 7 HB ILE 7 4.154 -2.721 -0.296 66 HG12 ILE 7 3HG1 ILE 7 3.777 -4.547 -1.922 67 HG13 ILE 7 2HG1 ILE 7 4.104 -5.732 -0.661 68 HG21 ILE 7 1HG2 ILE 7 4.381 -3.178 2.082 69 HG22 ILE 7 2HG2 ILE 7 5.726 -3.881 1.185 70 HG23 ILE 7 3HG2 ILE 7 4.417 -4.912 1.765 71 HD11 ILE 7 3HD1 ILE 7 6.023 -5.424 -2.111 72 HD12 ILE 7 1HD1 ILE 7 6.387 -4.910 -0.465 73 HD13 ILE 7 2HD1 ILE 7 6.063 -3.707 -1.715 74 H ILE 8 H ILE 8 0.908 -5.330 -1.088 75 HA ILE 8 HA ILE 8 0.914 -7.497 0.915 76 HB ILE 8 HB ILE 8 -0.969 -7.151 -1.436 77 HG12 ILE 8 3HG1 ILE 8 -1.170 -5.274 0.194 78 HG13 ILE 8 2HG1 ILE 8 -1.450 -6.445 1.475 79 HG21 ILE 8 1HG2 ILE 8 -2.360 -8.791 -0.242 80 HG22 ILE 8 2HG2 ILE 8 -1.125 -8.923 1.010 81 HG23 ILE 8 3HG2 ILE 8 -0.772 -9.452 -0.635 82 HD11 ILE 8 3HD1 ILE 8 -3.222 -5.953 -0.899 83 HD12 ILE 8 1HD1 ILE 8 -3.531 -5.476 0.766 84 HD13 ILE 8 2HD1 ILE 8 -3.496 -7.183 0.332 85 H SER 9 H SER 9 2.639 -8.784 0.435 86 HA SER 9 HA SER 9 2.559 -10.368 -1.959 87 HB2 SER 9 3HB SER 9 4.862 -8.433 -1.581 88 HB3 SER 9 2HB SER 9 3.747 -8.512 -2.946 89 HG SER 9 HG SER 9 5.067 -9.901 -3.805 90 H ASN 10 H ASN 10 4.129 -12.117 -1.950 91 HA ASN 10 HA ASN 10 5.169 -12.736 0.739 92 HB2 ASN 10 3HB ASN 10 5.478 -15.074 -0.304 93 HB3 ASN 10 2HB ASN 10 4.499 -14.476 -1.637 94 HD21 ASN 10 2HD2 ASN 10 1.786 -13.959 0.957 95 HD22 ASN 10 1HD2 ASN 10 2.820 -12.838 0.147 96 H ASP 11 H ASP 11 6.191 -11.508 -2.199 97 HA ASP 11 HA ASP 11 8.751 -12.841 -2.363 98 HB2 ASP 11 3HB ASP 11 9.156 -11.399 -4.279 99 HB3 ASP 11 2HB ASP 11 7.778 -10.387 -3.848 100 H LYS 12 H LYS 12 10.213 -12.401 -0.834 101 HA LYS 12 HA LYS 12 10.173 -10.165 0.857 102 HB2 LYS 12 3HB LYS 12 12.309 -10.968 1.703 103 HB3 LYS 12 2HB LYS 12 12.528 -11.970 0.274 104 HG2 LYS 12 3HG LYS 12 11.815 -13.296 2.190 105 HG3 LYS 12 2HG LYS 12 10.603 -13.328 0.908 106 HD2 LYS 12 3HD LYS 12 9.310 -11.603 2.108 107 HD3 LYS 12 2HD LYS 12 10.507 -11.629 3.407 108 HE2 LYS 12 3HE LYS 12 8.789 -13.955 2.534 109 HE3 LYS 12 2HE LYS 12 8.545 -12.972 3.978 110 HZ1 LYS 12 3HZ LYS 12 10.902 -14.694 3.422 111 HZ2 LYS 12 1HZ LYS 12 9.661 -15.020 4.524 112 HZ3 LYS 12 2HZ LYS 12 10.707 -13.719 4.792 113 H LYS 13 H LYS 13 12.310 -10.833 -1.929 114 HA LYS 13 HA LYS 13 13.856 -8.481 -1.679 115 HB2 LYS 13 3HB LYS 13 14.559 -8.933 -4.023 116 HB3 LYS 13 2HB LYS 13 13.323 -10.183 -4.125 117 HG2 LYS 13 3HG LYS 13 15.562 -11.102 -3.683 118 HG3 LYS 13 2HG LYS 13 14.419 -11.464 -2.387 119 HD2 LYS 13 3HD LYS 13 15.335 -9.448 -1.165 120 HD3 LYS 13 2HD LYS 13 16.603 -9.377 -2.390 121 HE2 LYS 13 3HE LYS 13 17.437 -11.528 -1.758 122 HE3 LYS 13 2HE LYS 13 16.060 -11.808 -0.691 123 HZ1 LYS 13 3HZ LYS 13 16.819 -9.895 0.644 124 HZ2 LYS 13 1HZ LYS 13 18.205 -9.787 -0.321 125 HZ3 LYS 13 2HZ LYS 13 17.936 -11.169 0.618 126 H LEU 14 H LEU 14 10.817 -9.113 -3.332 127 HA LEU 14 HA LEU 14 10.645 -6.626 -4.705 128 HB2 LEU 14 3HB LEU 14 8.414 -8.442 -3.754 129 HB3 LEU 14 2HB LEU 14 9.312 -8.666 -5.240 130 HG LEU 14 HG LEU 14 8.418 -6.241 -5.801 131 HD11 LEU 14 1HD1 LEU 14 6.683 -8.712 -5.911 132 HD12 LEU 14 2HD1 LEU 14 7.905 -8.240 -7.092 133 HD13 LEU 14 3HD1 LEU 14 6.458 -7.256 -6.880 134 HD21 LEU 14 3HD2 LEU 14 6.354 -7.237 -3.826 135 HD22 LEU 14 1HD2 LEU 14 6.168 -5.847 -4.899 136 HD23 LEU 14 2HD2 LEU 14 7.384 -5.820 -3.623 137 H ILE 15 H ILE 15 9.518 -7.753 -1.535 138 HA ILE 15 HA ILE 15 8.280 -5.347 -0.706 139 HB ILE 15 HB ILE 15 9.550 -7.540 0.955 140 HG12 ILE 15 3HG1 ILE 15 7.682 -8.276 -0.502 141 HG13 ILE 15 2HG1 ILE 15 6.649 -7.047 0.220 142 HG21 ILE 15 1HG2 ILE 15 9.375 -5.496 2.268 143 HG22 ILE 15 2HG2 ILE 15 8.204 -6.690 2.825 144 HG23 ILE 15 3HG2 ILE 15 7.674 -5.337 1.827 145 HD11 ILE 15 3HD1 ILE 15 6.821 -8.145 2.379 146 HD12 ILE 15 1HD1 ILE 15 7.892 -9.363 1.684 147 HD13 ILE 15 2HD1 ILE 15 6.218 -9.250 1.148 148 H GLU 16 H GLU 16 11.620 -6.539 -0.336 149 HA GLU 16 HA GLU 16 12.584 -4.499 1.318 150 HB2 GLU 16 3HB GLU 16 14.856 -5.075 0.353 151 HB3 GLU 16 2HB GLU 16 14.032 -6.189 -0.730 152 HG2 GLU 16 3HG GLU 16 13.304 -7.551 1.075 153 HG3 GLU 16 2HG GLU 16 13.803 -6.352 2.267 154 H GLU 17 H GLU 17 12.725 -4.690 -2.262 155 HA GLU 17 HA GLU 17 13.930 -2.197 -2.682 156 HB2 GLU 17 3HB GLU 17 12.784 -2.315 -4.967 157 HB3 GLU 17 2HB GLU 17 12.084 -3.833 -4.416 158 HG2 GLU 17 3HG GLU 17 14.080 -4.205 -5.767 159 HG3 GLU 17 2HG GLU 17 14.312 -4.773 -4.113 160 H ALA 18 H ALA 18 10.515 -3.004 -2.233 161 HA ALA 18 HA ALA 18 9.442 -0.442 -2.700 162 HB1 ALA 18 3HB ALA 18 7.540 -1.187 -1.344 163 HB2 ALA 18 1HB ALA 18 8.478 -2.572 -0.783 164 HB3 ALA 18 2HB ALA 18 8.044 -2.433 -2.487 165 H ARG 19 H ARG 19 10.700 -1.940 0.275 166 HA ARG 19 HA ARG 19 10.264 0.177 2.049 167 HB2 ARG 19 3HB ARG 19 12.220 -0.809 3.322 168 HB3 ARG 19 2HB ARG 19 12.426 -1.930 1.983 169 HG2 ARG 19 3HG ARG 19 10.093 -2.721 2.363 170 HG3 ARG 19 2HG ARG 19 10.031 -1.695 3.798 171 HD2 ARG 19 3HD ARG 19 11.832 -4.056 3.289 172 HD3 ARG 19 2HD ARG 19 10.589 -3.892 4.530 173 HE ARG 19 HE ARG 19 12.388 -1.862 5.006 174 HH11 ARG 19 1HH1 ARG 19 12.500 -5.305 4.885 175 HH12 ARG 19 2HH1 ARG 19 13.817 -5.404 6.000 176 HH21 ARG 19 2HH2 ARG 19 14.709 -3.545 6.857 177 HH22 ARG 19 1HH2 ARG 19 14.076 -1.997 6.413 178 H LYS 20 H LYS 20 13.085 -0.443 -0.063 179 HA LYS 20 HA LYS 20 14.718 1.670 0.659 180 HB2 LYS 20 3HB LYS 20 15.240 1.757 -1.927 181 HB3 LYS 20 2HB LYS 20 14.228 0.327 -1.982 182 HG2 LYS 20 3HG LYS 20 16.682 0.591 -0.254 183 HG3 LYS 20 2HG LYS 20 16.666 -0.131 -1.865 184 HD2 LYS 20 3HD LYS 20 14.965 -1.765 -1.037 185 HD3 LYS 20 2HD LYS 20 15.217 -1.116 0.587 186 HE2 LYS 20 3HE LYS 20 16.550 -3.131 0.247 187 HE3 LYS 20 2HE LYS 20 17.591 -1.725 0.456 188 HZ1 LYS 20 3HZ LYS 20 18.341 -3.154 -1.348 189 HZ2 LYS 20 1HZ LYS 20 17.907 -1.627 -1.925 190 HZ3 LYS 20 2HZ LYS 20 16.873 -2.942 -2.155 191 H MET 21 H MET 21 12.421 1.800 -2.078 192 HA MET 21 HA MET 21 12.691 4.556 -2.498 193 HB2 MET 21 3HB MET 21 10.475 4.311 -3.753 194 HB3 MET 21 2HB MET 21 10.527 2.612 -3.291 195 HG2 MET 21 3HG MET 21 11.406 3.027 -5.551 196 HG3 MET 21 2HG MET 21 12.599 2.302 -4.475 197 HE1 MET 21 3HE MET 21 11.316 5.719 -5.986 198 HE2 MET 21 1HE MET 21 12.566 6.825 -5.417 199 HE3 MET 21 2HE MET 21 11.480 6.049 -4.260 200 H ALA 22 H ALA 22 10.531 2.817 -0.333 201 HA ALA 22 HA ALA 22 8.782 4.937 0.266 202 HB1 ALA 22 3HB ALA 22 9.701 2.677 2.052 203 HB2 ALA 22 1HB ALA 22 8.324 2.640 0.949 204 HB3 ALA 22 2HB ALA 22 8.305 3.715 2.350 205 H GLU 23 H GLU 23 11.814 3.928 1.868 206 HA GLU 23 HA GLU 23 11.853 6.108 3.707 207 HB2 GLU 23 3HB GLU 23 14.177 5.409 4.156 208 HB3 GLU 23 2HB GLU 23 14.121 4.336 2.762 209 HG2 GLU 23 3HG GLU 23 12.400 2.999 3.811 210 HG3 GLU 23 2HG GLU 23 12.330 4.110 5.178 211 H LYS 24 H LYS 24 13.138 5.651 0.460 212 HA LYS 24 HA LYS 24 14.704 8.033 0.365 213 HB2 LYS 24 3HB LYS 24 14.733 7.711 -2.063 214 HB3 LYS 24 2HB LYS 24 13.410 6.559 -1.951 215 HG2 LYS 24 3HG LYS 24 15.524 5.416 -2.282 216 HG3 LYS 24 2HG LYS 24 14.842 5.018 -0.708 217 HD2 LYS 24 3HD LYS 24 17.171 5.367 -0.391 218 HD3 LYS 24 2HD LYS 24 16.338 6.762 0.293 219 HE2 LYS 24 3HE LYS 24 18.275 7.500 -0.952 220 HE3 LYS 24 2HE LYS 24 16.808 8.029 -1.775 221 HZ1 LYS 24 3HZ LYS 24 18.372 5.616 -2.518 222 HZ2 LYS 24 1HZ LYS 24 18.494 7.113 -3.291 223 HZ3 LYS 24 2HZ LYS 24 17.045 6.252 -3.349 224 H ALA 25 H ALA 25 11.325 7.314 -0.284 225 HA ALA 25 HA ALA 25 10.781 10.031 -1.213 226 HB1 ALA 25 3HB ALA 25 8.952 7.647 -0.915 227 HB2 ALA 25 1HB ALA 25 9.730 8.187 -2.402 228 HB3 ALA 25 2HB ALA 25 8.507 9.196 -1.629 229 H ASN 26 H ASN 26 11.083 8.563 1.732 230 HA ASN 26 HA ASN 26 10.690 9.260 3.860 231 HB2 ASN 26 3HB ASN 26 10.008 11.546 4.277 232 HB3 ASN 26 2HB ASN 26 9.388 11.702 2.638 233 HD21 ASN 26 2HD2 ASN 26 13.437 11.300 2.748 234 HD22 ASN 26 1HD2 ASN 26 12.421 10.149 3.535 235 H LEU 27 H LEU 27 8.660 7.734 2.280 236 HA LEU 27 HA LEU 27 6.137 8.588 3.527 237 HB2 LEU 27 3HB LEU 27 5.041 7.109 1.925 238 HB3 LEU 27 2HB LEU 27 6.599 6.533 1.359 239 HG LEU 27 HG LEU 27 7.118 8.733 0.439 240 HD11 LEU 27 1HD1 LEU 27 4.370 7.801 -0.403 241 HD12 LEU 27 2HD1 LEU 27 5.905 7.139 -0.969 242 HD13 LEU 27 3HD1 LEU 27 5.472 8.804 -1.348 243 HD21 LEU 27 3HD2 LEU 27 4.411 9.568 1.497 244 HD22 LEU 27 1HD2 LEU 27 5.440 10.530 0.432 245 HD23 LEU 27 2HD2 LEU 27 5.984 10.138 2.062 246 H GLU 28 H GLU 28 4.821 7.142 4.685 247 HA GLU 28 HA GLU 28 6.189 5.097 6.196 248 HB2 GLU 28 3HB GLU 28 3.316 6.060 6.169 249 HB3 GLU 28 2HB GLU 28 4.567 6.504 7.321 250 HG2 GLU 28 3HG GLU 28 3.397 3.740 7.016 251 HG3 GLU 28 2HG GLU 28 2.922 4.918 8.235 252 H LEU 29 H LEU 29 6.170 2.930 5.835 253 HA LEU 29 HA LEU 29 4.224 1.801 3.937 254 HB2 LEU 29 3HB LEU 29 7.215 1.357 3.772 255 HB3 LEU 29 2HB LEU 29 6.280 2.367 2.690 256 HG LEU 29 HG LEU 29 4.965 0.144 2.177 257 HD11 LEU 29 1HD1 LEU 29 7.773 0.594 1.160 258 HD12 LEU 29 2HD1 LEU 29 6.319 1.389 0.562 259 HD13 LEU 29 3HD1 LEU 29 6.515 -0.350 0.362 260 HD21 LEU 29 3HD2 LEU 29 6.387 -1.857 2.294 261 HD22 LEU 29 1HD2 LEU 29 6.014 -1.236 3.901 262 HD23 LEU 29 2HD2 LEU 29 7.600 -0.943 3.191 263 H ARG 30 H ARG 30 3.379 -0.079 4.596 264 HA ARG 30 HA ARG 30 4.832 -1.669 6.617 265 HB2 ARG 30 3HB ARG 30 2.682 -2.120 7.757 266 HB3 ARG 30 2HB ARG 30 1.870 -1.030 6.638 267 HG2 ARG 30 3HG ARG 30 2.270 0.089 8.746 268 HG3 ARG 30 2HG ARG 30 3.245 0.835 7.476 269 HD2 ARG 30 3HD ARG 30 5.146 -0.665 8.243 270 HD3 ARG 30 2HD ARG 30 4.154 -1.041 9.653 271 HE ARG 30 HE ARG 30 4.752 1.759 9.038 272 HH11 ARG 30 1HH1 ARG 30 5.252 -0.977 11.076 273 HH12 ARG 30 2HH1 ARG 30 5.906 -0.020 12.361 274 HH21 ARG 30 2HH2 ARG 30 6.143 2.166 12.125 275 HH22 ARG 30 1HH2 ARG 30 5.631 2.957 10.670 276 H THR 31 H THR 31 4.516 -3.899 6.574 277 HA THR 31 HA THR 31 3.758 -4.948 3.965 278 HB THR 31 HB THR 31 4.750 -7.068 4.737 279 HG1 THR 31 HG1 THR 31 4.203 -6.324 7.109 280 HG21 THR 31 3HG2 THR 31 6.212 -5.366 3.732 281 HG22 THR 31 1HG2 THR 31 7.065 -6.307 4.956 282 HG23 THR 31 2HG2 THR 31 6.506 -4.677 5.330 283 H VAL 32 H VAL 32 1.846 -5.837 3.548 284 HA VAL 32 HA VAL 32 0.133 -6.732 5.774 285 HB VAL 32 HB VAL 32 -0.573 -5.956 2.934 286 HG11 VAL 32 1HG1 VAL 32 -2.397 -6.924 5.147 287 HG12 VAL 32 2HG1 VAL 32 -2.015 -7.790 3.657 288 HG13 VAL 32 3HG1 VAL 32 -2.924 -6.280 3.590 289 HG21 VAL 32 3HG2 VAL 32 -0.082 -4.058 4.391 290 HG22 VAL 32 1HG2 VAL 32 -1.239 -4.658 5.582 291 HG23 VAL 32 2HG2 VAL 32 -1.800 -4.116 4.000 292 H LYS 33 H LYS 33 -0.592 -8.812 5.896 293 HA LYS 33 HA LYS 33 0.555 -10.734 3.977 294 HB2 LYS 33 3HB LYS 33 0.300 -12.402 5.762 295 HB3 LYS 33 2HB LYS 33 -0.477 -11.199 6.787 296 HG2 LYS 33 3HG LYS 33 1.598 -9.879 6.792 297 HG3 LYS 33 2HG LYS 33 2.375 -11.116 5.800 298 HD2 LYS 33 3HD LYS 33 1.978 -12.773 7.589 299 HD3 LYS 33 2HD LYS 33 1.251 -11.506 8.581 300 HE2 LYS 33 3HE LYS 33 4.102 -11.540 7.580 301 HE3 LYS 33 2HE LYS 33 3.579 -11.929 9.219 302 HZ1 LYS 33 3HZ LYS 33 2.792 -9.688 9.501 303 HZ2 LYS 33 1HZ LYS 33 3.193 -9.298 7.904 304 HZ3 LYS 33 2HZ LYS 33 4.410 -9.658 9.011 305 H THR 34 H THR 34 -2.462 -10.192 5.831 306 HA THR 34 HA THR 34 -3.933 -11.740 3.786 307 HB THR 34 HB THR 34 -5.350 -12.716 5.531 308 HG1 THR 34 HG1 THR 34 -4.555 -12.426 7.777 309 HG21 THR 34 3HG2 THR 34 -2.405 -13.138 6.086 310 HG22 THR 34 1HG2 THR 34 -3.365 -13.983 4.871 311 HG23 THR 34 2HG2 THR 34 -3.706 -14.219 6.584 312 H GLU 35 H GLU 35 -6.426 -11.488 4.295 313 HA GLU 35 HA GLU 35 -7.298 -8.900 3.812 314 HB2 GLU 35 3HB GLU 35 -8.724 -11.240 5.102 315 HB3 GLU 35 2HB GLU 35 -8.740 -10.793 3.401 316 HG2 GLU 35 3HG GLU 35 -10.031 -8.815 3.880 317 HG3 GLU 35 2HG GLU 35 -9.906 -9.107 5.614 318 H ASP 36 H ASP 36 -7.169 -10.626 6.923 319 HA ASP 36 HA ASP 36 -8.208 -8.587 8.524 320 HB2 ASP 36 3HB ASP 36 -6.186 -10.692 9.329 321 HB3 ASP 36 2HB ASP 36 -7.931 -10.928 9.272 322 H GLU 37 H GLU 37 -4.809 -9.305 7.690 323 HA GLU 37 HA GLU 37 -3.577 -7.290 9.184 324 HB2 GLU 37 3HB GLU 37 -1.768 -7.379 7.406 325 HB3 GLU 37 2HB GLU 37 -2.795 -8.500 6.527 326 HG2 GLU 37 3HG GLU 37 -1.139 -9.734 7.729 327 HG3 GLU 37 2HG GLU 37 -2.717 -10.044 8.451 328 H LEU 38 H LEU 38 -4.829 -7.116 5.840 329 HA LEU 38 HA LEU 38 -4.089 -4.495 5.247 330 HB2 LEU 38 3HB LEU 38 -6.683 -5.747 4.342 331 HB3 LEU 38 2HB LEU 38 -5.135 -6.315 3.755 332 HG LEU 38 HG LEU 38 -6.029 -4.873 2.089 333 HD11 LEU 38 1HD1 LEU 38 -6.695 -2.571 2.476 334 HD12 LEU 38 2HD1 LEU 38 -6.383 -2.754 4.200 335 HD13 LEU 38 3HD1 LEU 38 -7.672 -3.681 3.435 336 HD21 LEU 38 3HD2 LEU 38 -4.346 -3.115 1.932 337 HD22 LEU 38 1HD2 LEU 38 -3.634 -4.632 2.478 338 HD23 LEU 38 2HD2 LEU 38 -3.942 -3.336 3.636 339 H LYS 39 H LYS 39 -7.238 -5.615 6.545 340 HA LYS 39 HA LYS 39 -8.360 -3.112 7.115 341 HB2 LYS 39 3HB LYS 39 -8.711 -5.732 8.596 342 HB3 LYS 39 2HB LYS 39 -9.627 -5.218 7.187 343 HG2 LYS 39 3HG LYS 39 -10.654 -3.431 8.435 344 HG3 LYS 39 2HG LYS 39 -9.639 -3.773 9.836 345 HD2 LYS 39 3HD LYS 39 -11.476 -5.866 8.695 346 HD3 LYS 39 2HD LYS 39 -12.065 -4.653 9.831 347 HE2 LYS 39 3HE LYS 39 -11.470 -6.727 10.982 348 HE3 LYS 39 2HE LYS 39 -10.447 -5.391 11.500 349 HZ1 LYS 39 3HZ LYS 39 -9.598 -7.338 9.436 350 HZ2 LYS 39 1HZ LYS 39 -9.283 -7.550 11.083 351 HZ3 LYS 39 2HZ LYS 39 -8.640 -6.222 10.273 352 H LYS 40 H LYS 40 -6.289 -5.182 9.047 353 HA LYS 40 HA LYS 40 -6.303 -3.962 11.517 354 HB2 LYS 40 3HB LYS 40 -4.319 -5.573 9.966 355 HB3 LYS 40 2HB LYS 40 -5.267 -6.034 11.364 356 HG2 LYS 40 3HG LYS 40 -3.817 -4.735 12.818 357 HG3 LYS 40 2HG LYS 40 -2.882 -4.192 11.417 358 HD2 LYS 40 3HD LYS 40 -2.489 -6.648 10.902 359 HD3 LYS 40 2HD LYS 40 -3.158 -7.000 12.494 360 HE2 LYS 40 3HE LYS 40 -1.399 -5.733 13.562 361 HE3 LYS 40 2HE LYS 40 -0.759 -5.245 11.990 362 HZ1 LYS 40 3HZ LYS 40 0.524 -7.069 12.818 363 HZ2 LYS 40 1HZ LYS 40 -0.391 -7.624 11.506 364 HZ3 LYS 40 2HZ LYS 40 -0.861 -8.002 13.087 365 H TYR 41 H TYR 41 -4.304 -3.107 8.695 366 HA TYR 41 HA TYR 41 -2.995 -0.957 10.121 367 HB2 TYR 41 3HB TYR 41 -2.048 -0.405 7.841 368 HB3 TYR 41 2HB TYR 41 -2.957 -1.776 7.211 369 HD1 TYR 41 HD1 TYR 41 -0.363 -0.858 9.716 370 HD2 TYR 41 HD2 TYR 41 -2.042 -3.953 7.322 371 HE1 TYR 41 HE1 TYR 41 1.480 -2.350 10.360 372 HE2 TYR 41 HE2 TYR 41 -0.201 -5.452 7.960 373 HH TYR 41 HH TYR 41 2.016 -4.666 10.484 374 H LEU 42 H LEU 42 -5.770 -1.277 7.998 375 HA LEU 42 HA LEU 42 -6.157 1.467 7.421 376 HB2 LEU 42 3HB LEU 42 -8.535 0.829 7.001 377 HB3 LEU 42 2HB LEU 42 -8.177 -0.772 7.623 378 HG LEU 42 HG LEU 42 -6.651 -1.195 5.776 379 HD11 LEU 42 1HD1 LEU 42 -8.992 -1.735 5.448 380 HD12 LEU 42 2HD1 LEU 42 -8.273 -1.191 3.932 381 HD13 LEU 42 3HD1 LEU 42 -9.313 -0.105 4.856 382 HD21 LEU 42 3HD2 LEU 42 -6.392 0.406 3.939 383 HD22 LEU 42 1HD2 LEU 42 -5.778 1.063 5.456 384 HD23 LEU 42 2HD2 LEU 42 -7.341 1.592 4.834 385 H GLU 43 H GLU 43 -6.929 -0.471 10.239 386 HA GLU 43 HA GLU 43 -8.847 1.090 11.503 387 HB2 GLU 43 3HB GLU 43 -7.985 0.179 13.636 388 HB3 GLU 43 2HB GLU 43 -6.542 -0.386 12.803 389 HG2 GLU 43 3HG GLU 43 -7.863 -1.920 11.472 390 HG3 GLU 43 2HG GLU 43 -9.349 -1.304 12.190 391 H GLU 44 H GLU 44 -5.324 1.492 11.526 392 HA GLU 44 HA GLU 44 -5.325 3.839 13.150 393 HB2 GLU 44 3HB GLU 44 -2.991 4.095 11.878 394 HB3 GLU 44 2HB GLU 44 -3.317 2.417 11.463 395 HG2 GLU 44 3HG GLU 44 -3.264 3.536 14.248 396 HG3 GLU 44 2HG GLU 44 -1.927 2.686 13.478 397 H PHE 45 H PHE 45 -5.277 3.295 9.657 398 HA PHE 45 HA PHE 45 -4.731 5.949 8.935 399 HB2 PHE 45 3HB PHE 45 -5.556 5.307 6.679 400 HB3 PHE 45 2HB PHE 45 -6.181 3.807 7.357 401 HD1 PHE 45 HD1 PHE 45 -4.794 2.681 5.599 402 HD2 PHE 45 HD2 PHE 45 -3.052 4.953 8.757 403 HE1 PHE 45 HE1 PHE 45 -2.630 1.587 5.197 404 HE2 PHE 45 HE2 PHE 45 -0.889 3.857 8.355 405 HZ PHE 45 HZ PHE 45 -0.676 2.172 6.573 406 H ARG 46 H ARG 46 -7.720 4.419 9.850 407 HA ARG 46 HA ARG 46 -9.527 6.349 8.827 408 HB2 ARG 46 3HB ARG 46 -11.091 5.409 10.590 409 HB3 ARG 46 2HB ARG 46 -9.757 4.387 11.115 410 HG2 ARG 46 3HG ARG 46 -9.648 3.443 8.816 411 HG3 ARG 46 2HG ARG 46 -11.083 4.382 8.405 412 HD2 ARG 46 3HD ARG 46 -10.898 2.241 10.523 413 HD3 ARG 46 2HD ARG 46 -11.678 2.085 8.951 414 HE ARG 46 HE ARG 46 -12.686 4.181 10.689 415 HH11 ARG 46 1HH1 ARG 46 -13.094 0.976 9.476 416 HH12 ARG 46 2HH1 ARG 46 -14.741 0.881 9.980 417 HH21 ARG 46 2HH2 ARG 46 -15.687 2.605 11.027 418 HH22 ARG 46 1HH2 ARG 46 -14.778 4.043 11.342 419 H LYS 47 H LYS 47 -7.406 6.414 11.558 420 HA LYS 47 HA LYS 47 -8.656 8.325 13.194 421 HB2 LYS 47 3HB LYS 47 -6.299 8.862 13.941 422 HB3 LYS 47 2HB LYS 47 -5.724 7.769 12.690 423 HG2 LYS 47 3HG LYS 47 -7.118 5.966 13.803 424 HG3 LYS 47 2HG LYS 47 -7.333 7.093 15.143 425 HD2 LYS 47 3HD LYS 47 -4.723 5.969 14.114 426 HD3 LYS 47 2HD LYS 47 -5.501 5.607 15.654 427 HE2 LYS 47 3HE LYS 47 -4.412 8.299 14.826 428 HE3 LYS 47 2HE LYS 47 -3.629 7.165 15.923 429 HZ1 LYS 47 3HZ LYS 47 -4.767 8.885 17.141 430 HZ2 LYS 47 1HZ LYS 47 -5.504 7.391 17.435 431 HZ3 LYS 47 2HZ LYS 47 -6.235 8.503 16.391 432 H GLU 48 H GLU 48 -6.015 8.932 10.859 433 HA GLU 48 HA GLU 48 -6.833 11.734 10.634 434 HB2 GLU 48 3HB GLU 48 -4.717 11.792 9.123 435 HB3 GLU 48 2HB GLU 48 -4.395 10.189 9.767 436 HG2 GLU 48 3HG GLU 48 -4.653 12.731 11.368 437 HG3 GLU 48 2HG GLU 48 -3.156 11.889 10.979 438 H SER 49 H SER 49 -8.678 9.930 9.544 439 HA SER 49 HA SER 49 -8.332 9.366 6.797 440 HB2 SER 49 3HB SER 49 -10.887 9.669 8.394 441 HB3 SER 49 2HB SER 49 -9.968 8.183 8.166 442 HG SER 49 HG SER 49 -10.583 9.313 5.786 443 H GLN 50 H GLN 50 -8.438 12.383 8.033 444 HA GLN 50 HA GLN 50 -10.380 13.632 6.316 445 HB2 GLN 50 3HB GLN 50 -9.615 15.713 7.281 446 HB3 GLN 50 2HB GLN 50 -8.171 14.935 7.920 447 HG2 GLN 50 3HG GLN 50 -9.569 13.568 9.400 448 HG3 GLN 50 2HG GLN 50 -11.010 14.367 8.763 449 HE21 GLN 50 2HE2 GLN 50 -10.656 17.239 10.700 450 HE22 GLN 50 1HE2 GLN 50 -11.470 16.459 9.393 451 H ASN 51 H ASN 51 -6.794 13.774 6.454 452 HA ASN 51 HA ASN 51 -6.800 14.660 3.623 453 HB2 ASN 51 3HB ASN 51 -4.793 15.951 4.090 454 HB3 ASN 51 2HB ASN 51 -4.741 15.337 5.740 455 HD21 ASN 51 2HD2 ASN 51 -7.104 17.556 6.992 456 HD22 ASN 51 1HD2 ASN 51 -6.212 16.103 7.245 457 H ILE 52 H ILE 52 -6.636 11.890 4.671 458 HA ILE 52 HA ILE 52 -3.827 11.179 4.306 459 HB ILE 52 HB ILE 52 -5.121 10.220 6.198 460 HG12 ILE 52 3HG1 ILE 52 -3.095 9.109 5.271 461 HG13 ILE 52 2HG1 ILE 52 -4.127 8.147 4.217 462 HG21 ILE 52 1HG2 ILE 52 -6.594 8.684 4.049 463 HG22 ILE 52 2HG2 ILE 52 -7.279 9.951 5.066 464 HG23 ILE 52 3HG2 ILE 52 -6.742 8.436 5.789 465 HD11 ILE 52 3HD1 ILE 52 -4.164 8.100 7.223 466 HD12 ILE 52 1HD1 ILE 52 -3.414 6.895 6.177 467 HD13 ILE 52 2HD1 ILE 52 -5.164 7.115 6.155 468 H LYS 53 H LYS 53 -3.005 9.976 2.680 469 HA LYS 53 HA LYS 53 -4.819 8.856 0.631 470 HB2 LYS 53 3HB LYS 53 -3.156 9.435 -1.086 471 HB3 LYS 53 2HB LYS 53 -2.121 10.153 0.136 472 HG2 LYS 53 3HG LYS 53 -3.054 12.068 -0.590 473 HG3 LYS 53 2HG LYS 53 -4.338 11.623 0.534 474 HD2 LYS 53 3HD LYS 53 -4.342 10.903 -2.398 475 HD3 LYS 53 2HD LYS 53 -5.136 12.328 -1.733 476 HE2 LYS 53 3HE LYS 53 -5.762 9.491 -0.914 477 HE3 LYS 53 2HE LYS 53 -6.667 10.407 -2.115 478 HZ1 LYS 53 3HZ LYS 53 -7.229 12.025 -0.420 479 HZ2 LYS 53 1HZ LYS 53 -6.364 11.153 0.741 480 HZ3 LYS 53 2HZ LYS 53 -7.742 10.483 0.033 481 H VAL 54 H VAL 54 -4.555 6.681 0.465 482 HA VAL 54 HA VAL 54 -2.020 5.523 1.469 483 HB VAL 54 HB VAL 54 -4.736 4.196 1.316 484 HG11 VAL 54 1HG1 VAL 54 -3.698 2.427 2.683 485 HG12 VAL 54 2HG1 VAL 54 -2.143 3.247 2.551 486 HG13 VAL 54 3HG1 VAL 54 -2.918 2.591 1.110 487 HG21 VAL 54 3HG2 VAL 54 -4.719 5.970 2.993 488 HG22 VAL 54 1HG2 VAL 54 -3.257 5.293 3.713 489 HG23 VAL 54 2HG2 VAL 54 -4.768 4.385 3.763 490 H LEU 55 H LEU 55 -0.733 4.587 0.017 491 HA LEU 55 HA LEU 55 -1.785 3.689 -2.577 492 HB2 LEU 55 3HB LEU 55 1.051 4.009 -1.564 493 HB3 LEU 55 2HB LEU 55 0.195 5.145 -2.587 494 HG LEU 55 HG LEU 55 0.828 2.315 -3.438 495 HD11 LEU 55 1HD1 LEU 55 -0.995 3.346 -4.665 496 HD12 LEU 55 2HD1 LEU 55 0.428 3.190 -5.694 497 HD13 LEU 55 3HD1 LEU 55 0.005 4.760 -5.007 498 HD21 LEU 55 3HD2 LEU 55 2.711 3.229 -4.693 499 HD22 LEU 55 1HD2 LEU 55 2.913 3.499 -2.963 500 HD23 LEU 55 2HD2 LEU 55 2.407 4.825 -4.009 501 H ILE 56 H ILE 56 -2.073 1.525 -2.991 502 HA ILE 56 HA ILE 56 -0.829 -0.405 -1.119 503 HB ILE 56 HB ILE 56 -3.528 -0.685 -2.464 504 HG12 ILE 56 3HG1 ILE 56 -3.555 0.993 -0.655 505 HG13 ILE 56 2HG1 ILE 56 -2.828 -0.172 0.446 506 HG21 ILE 56 1HG2 ILE 56 -2.139 -2.475 -0.459 507 HG22 ILE 56 2HG2 ILE 56 -2.394 -2.835 -2.168 508 HG23 ILE 56 3HG2 ILE 56 -3.776 -2.698 -1.081 509 HD11 ILE 56 3HD1 ILE 56 -5.545 -0.415 -0.828 510 HD12 ILE 56 1HD1 ILE 56 -5.210 0.044 0.841 511 HD13 ILE 56 2HD1 ILE 56 -4.816 -1.579 0.278 512 H LEU 57 H LEU 57 0.479 -1.872 -2.023 513 HA LEU 57 HA LEU 57 0.293 -2.347 -4.938 514 HB2 LEU 57 3HB LEU 57 2.693 -3.036 -4.795 515 HB3 LEU 57 2HB LEU 57 2.699 -2.555 -3.110 516 HG LEU 57 HG LEU 57 3.743 -0.919 -4.710 517 HD11 LEU 57 1HD1 LEU 57 0.891 -0.489 -5.592 518 HD12 LEU 57 2HD1 LEU 57 2.201 -1.155 -6.567 519 HD13 LEU 57 3HD1 LEU 57 2.270 0.520 -6.027 520 HD21 LEU 57 3HD2 LEU 57 2.996 -0.240 -2.479 521 HD22 LEU 57 1HD2 LEU 57 1.395 0.122 -3.123 522 HD23 LEU 57 2HD2 LEU 57 2.793 1.056 -3.659 523 H VAL 58 H VAL 58 -0.527 -4.292 -5.442 524 HA VAL 58 HA VAL 58 -0.251 -6.497 -3.485 525 HB VAL 58 HB VAL 58 -2.317 -7.435 -4.401 526 HG11 VAL 58 1HG1 VAL 58 -3.888 -5.770 -3.557 527 HG12 VAL 58 2HG1 VAL 58 -2.645 -4.522 -3.660 528 HG13 VAL 58 3HG1 VAL 58 -2.460 -5.858 -2.525 529 HG21 VAL 58 3HG2 VAL 58 -3.668 -6.158 -6.014 530 HG22 VAL 58 1HG2 VAL 58 -2.120 -6.644 -6.701 531 HG23 VAL 58 2HG2 VAL 58 -2.366 -4.980 -6.168 532 H SER 59 H SER 59 0.308 -8.565 -4.184 533 HA SER 59 HA SER 59 1.729 -8.733 -6.703 534 HB2 SER 59 3HB SER 59 2.651 -9.771 -4.665 535 HB3 SER 59 2HB SER 59 2.401 -10.967 -5.937 536 HG SER 59 HG SER 59 1.187 -11.995 -4.577 537 H ASN 60 H ASN 60 -1.373 -9.779 -5.475 538 HA ASN 60 HA ASN 60 -1.850 -11.323 -7.959 539 HB2 ASN 60 3HB ASN 60 -3.385 -12.736 -6.715 540 HB3 ASN 60 2HB ASN 60 -3.157 -11.762 -5.268 541 HD21 ASN 60 2HD2 ASN 60 -0.883 -14.164 -4.257 542 HD22 ASN 60 1HD2 ASN 60 -2.415 -13.396 -4.015 543 H ASP 61 H ASP 61 -4.030 -11.318 -8.805 544 HA ASP 61 HA ASP 61 -5.245 -8.744 -8.807 545 HB2 ASP 61 3HB ASP 61 -5.305 -10.093 -10.802 546 HB3 ASP 61 2HB ASP 61 -6.959 -9.814 -10.267 547 H GLU 62 H GLU 62 -6.116 -11.803 -7.215 548 HA GLU 62 HA GLU 62 -8.633 -11.050 -6.218 549 HB2 GLU 62 3HB GLU 62 -6.564 -12.864 -4.944 550 HB3 GLU 62 2HB GLU 62 -7.774 -13.359 -6.119 551 HG2 GLU 62 3HG GLU 62 -8.374 -12.282 -3.365 552 HG3 GLU 62 2HG GLU 62 -8.352 -13.987 -3.809 553 H GLU 63 H GLU 63 -5.438 -10.839 -4.655 554 HA GLU 63 HA GLU 63 -6.176 -9.412 -2.376 555 HB2 GLU 63 3HB GLU 63 -3.721 -8.556 -2.540 556 HB3 GLU 63 2HB GLU 63 -3.610 -9.618 -3.936 557 HG2 GLU 63 3HG GLU 63 -4.114 -10.364 -1.068 558 HG3 GLU 63 2HG GLU 63 -2.759 -10.824 -2.091 559 H LEU 64 H LEU 64 -5.440 -8.232 -5.633 560 HA LEU 64 HA LEU 64 -5.469 -5.473 -5.211 561 HB2 LEU 64 3HB LEU 64 -6.559 -7.093 -7.525 562 HB3 LEU 64 2HB LEU 64 -4.924 -6.489 -7.365 563 HG LEU 64 HG LEU 64 -7.351 -4.704 -7.625 564 HD11 LEU 64 1HD1 LEU 64 -5.425 -3.659 -6.557 565 HD12 LEU 64 2HD1 LEU 64 -5.735 -2.968 -8.145 566 HD13 LEU 64 3HD1 LEU 64 -4.409 -4.110 -7.923 567 HD21 LEU 64 3HD2 LEU 64 -6.691 -4.384 -9.955 568 HD22 LEU 64 1HD2 LEU 64 -7.105 -6.068 -9.638 569 HD23 LEU 64 2HD2 LEU 64 -5.414 -5.584 -9.767 570 H ASP 65 H ASP 65 -8.202 -7.575 -6.062 571 HA ASP 65 HA ASP 65 -10.262 -5.684 -5.839 572 HB2 ASP 65 3HB ASP 65 -10.524 -8.647 -5.297 573 HB3 ASP 65 2HB ASP 65 -10.325 -7.989 -6.918 574 H LYS 66 H LYS 66 -9.048 -8.029 -3.451 575 HA LYS 66 HA LYS 66 -10.889 -7.388 -1.419 576 HB2 LYS 66 3HB LYS 66 -9.210 -8.501 0.107 577 HB3 LYS 66 2HB LYS 66 -8.152 -8.656 -1.288 578 HG2 LYS 66 3HG LYS 66 -9.362 -10.726 -0.888 579 HG3 LYS 66 2HG LYS 66 -9.848 -10.010 -2.428 580 HD2 LYS 66 3HD LYS 66 -11.798 -10.842 -1.214 581 HD3 LYS 66 2HD LYS 66 -11.862 -9.086 -1.369 582 HE2 LYS 66 3HE LYS 66 -11.032 -8.842 0.917 583 HE3 LYS 66 2HE LYS 66 -10.940 -10.595 1.079 584 HZ1 LYS 66 3HZ LYS 66 -13.406 -8.988 0.692 585 HZ2 LYS 66 1HZ LYS 66 -12.933 -9.802 2.099 586 HZ3 LYS 66 2HZ LYS 66 -13.356 -10.679 0.716 587 H ALA 67 H ALA 67 -7.651 -6.075 -2.084 588 HA ALA 67 HA ALA 67 -7.320 -4.614 0.284 589 HB1 ALA 67 3HB ALA 67 -6.279 -3.917 -2.463 590 HB2 ALA 67 1HB ALA 67 -5.511 -5.020 -1.322 591 HB3 ALA 67 2HB ALA 67 -5.661 -3.307 -0.928 592 H LYS 68 H LYS 68 -8.633 -3.504 -2.861 593 HA LYS 68 HA LYS 68 -9.375 -0.925 -1.884 594 HB2 LYS 68 3HB LYS 68 -8.994 -1.348 -4.267 595 HB3 LYS 68 2HB LYS 68 -10.601 -0.690 -3.994 596 HG2 LYS 68 3HG LYS 68 -11.615 -2.839 -4.319 597 HG3 LYS 68 2HG LYS 68 -10.039 -3.629 -4.373 598 HD2 LYS 68 3HD LYS 68 -10.952 -3.377 -6.620 599 HD3 LYS 68 2HD LYS 68 -9.491 -2.404 -6.431 600 HE2 LYS 68 3HE LYS 68 -10.906 -0.413 -6.028 601 HE3 LYS 68 2HE LYS 68 -12.338 -1.401 -6.317 602 HZ1 LYS 68 3HZ LYS 68 -11.577 -1.814 -8.556 603 HZ2 LYS 68 1HZ LYS 68 -10.167 -0.917 -8.285 604 HZ3 LYS 68 2HZ LYS 68 -11.672 -0.150 -8.281 605 H GLU 69 H GLU 69 -11.085 -3.992 -2.189 606 HA GLU 69 HA GLU 69 -13.699 -3.270 -1.649 607 HB2 GLU 69 3HB GLU 69 -12.315 -5.737 -0.604 608 HB3 GLU 69 2HB GLU 69 -12.659 -5.507 -2.308 609 HG2 GLU 69 3HG GLU 69 -14.438 -6.733 -1.755 610 HG3 GLU 69 2HG GLU 69 -15.108 -5.142 -1.414 611 H LEU 70 H LEU 70 -11.227 -4.319 0.715 612 HA LEU 70 HA LEU 70 -12.745 -3.884 3.038 613 HB2 LEU 70 3HB LEU 70 -10.579 -3.860 4.225 614 HB3 LEU 70 2HB LEU 70 -9.745 -3.713 2.689 615 HG LEU 70 HG LEU 70 -10.632 -5.943 2.028 616 HD11 LEU 70 1HD1 LEU 70 -9.112 -5.943 4.631 617 HD12 LEU 70 2HD1 LEU 70 -8.411 -5.716 3.028 618 HD13 LEU 70 3HD1 LEU 70 -9.168 -7.251 3.448 619 HD21 LEU 70 3HD2 LEU 70 -12.649 -5.956 3.423 620 HD22 LEU 70 1HD2 LEU 70 -11.648 -6.063 4.871 621 HD23 LEU 70 2HD2 LEU 70 -11.660 -7.385 3.705 622 H ALA 71 H ALA 71 -10.409 -1.749 1.404 623 HA ALA 71 HA ALA 71 -10.487 0.405 3.173 624 HB1 ALA 71 3HB ALA 71 -8.834 0.164 1.398 625 HB2 ALA 71 1HB ALA 71 -9.616 1.743 1.330 626 HB3 ALA 71 2HB ALA 71 -10.076 0.479 0.185 627 H GLN 72 H GLN 72 -12.604 -0.289 0.401 628 HA GLN 72 HA GLN 72 -14.064 2.125 0.457 629 HB2 GLN 72 3HB GLN 72 -15.835 0.755 -0.756 630 HB3 GLN 72 2HB GLN 72 -14.770 -0.630 -0.562 631 HG2 GLN 72 3HG GLN 72 -13.013 0.585 -1.805 632 HG3 GLN 72 2HG GLN 72 -14.141 1.917 -2.050 633 HE21 GLN 72 2HE2 GLN 72 -14.064 -0.484 -4.958 634 HE22 GLN 72 1HE2 GLN 72 -12.810 0.253 -4.022 635 H LYS 73 H LYS 73 -14.591 -0.962 2.153 636 HA LYS 73 HA LYS 73 -17.047 -0.120 3.363 637 HB2 LYS 73 3HB LYS 73 -16.847 -2.085 4.784 638 HB3 LYS 73 2HB LYS 73 -15.164 -2.289 4.317 639 HG2 LYS 73 3HG LYS 73 -15.707 -3.046 2.179 640 HG3 LYS 73 2HG LYS 73 -17.331 -2.347 2.244 641 HD2 LYS 73 3HD LYS 73 -17.324 -4.821 2.443 642 HD3 LYS 73 2HD LYS 73 -18.049 -4.013 3.833 643 HE2 LYS 73 3HE LYS 73 -16.608 -5.862 4.527 644 HE3 LYS 73 2HE LYS 73 -15.995 -4.315 5.109 645 HZ1 LYS 73 3HZ LYS 73 -14.432 -4.305 3.250 646 HZ2 LYS 73 1HZ LYS 73 -14.990 -5.826 2.760 647 HZ3 LYS 73 2HZ LYS 73 -14.210 -5.644 4.255 648 H MET 74 H MET 74 -13.664 0.047 4.300 649 HA MET 74 HA MET 74 -14.176 1.053 6.955 650 HB2 MET 74 3HB MET 74 -11.737 1.395 7.045 651 HB3 MET 74 2HB MET 74 -11.622 1.059 5.322 652 HG2 MET 74 3HG MET 74 -10.960 -0.915 6.412 653 HG3 MET 74 2HG MET 74 -12.592 -1.217 5.822 654 HE1 MET 74 3HE MET 74 -11.272 -0.813 10.203 655 HE2 MET 74 1HE MET 74 -10.842 0.387 8.985 656 HE3 MET 74 2HE MET 74 -10.239 -1.264 8.847 657 H GLU 75 H GLU 75 -14.334 2.403 3.904 658 HA GLU 75 HA GLU 75 -14.642 4.476 3.076 659 HB2 GLU 75 3HB GLU 75 -15.403 6.270 4.559 660 HB3 GLU 75 2HB GLU 75 -14.904 5.339 5.965 661 HG2 GLU 75 3HG GLU 75 -16.572 3.657 5.504 662 HG3 GLU 75 2HG GLU 75 -17.015 4.463 4.000 663 H ILE 76 H ILE 76 -12.188 3.954 2.731 664 HA ILE 76 HA ILE 76 -10.711 6.383 3.540 665 HB ILE 76 HB ILE 76 -9.486 3.618 3.298 666 HG12 ILE 76 3HG1 ILE 76 -10.845 3.857 5.346 667 HG13 ILE 76 2HG1 ILE 76 -9.959 5.319 5.767 668 HG21 ILE 76 1HG2 ILE 76 -7.433 4.686 4.139 669 HG22 ILE 76 2HG2 ILE 76 -8.240 6.256 4.103 670 HG23 ILE 76 3HG2 ILE 76 -7.949 5.378 2.600 671 HD11 ILE 76 3HD1 ILE 76 -8.766 2.566 5.537 672 HD12 ILE 76 1HD1 ILE 76 -9.194 3.386 7.035 673 HD13 ILE 76 2HD1 ILE 76 -7.916 4.038 6.012 674 H ASP 77 H ASP 77 -9.463 7.347 1.941 675 HA ASP 77 HA ASP 77 -9.845 6.518 -0.799 676 HB2 ASP 77 3HB ASP 77 -8.279 8.477 -1.261 677 HB3 ASP 77 2HB ASP 77 -8.282 8.770 0.474 678 H VAL 78 H VAL 78 -8.702 4.864 -1.614 679 HA VAL 78 HA VAL 78 -5.829 4.671 -0.953 680 HB VAL 78 HB VAL 78 -5.970 2.232 -1.243 681 HG11 VAL 78 1HG1 VAL 78 -7.164 1.726 0.844 682 HG12 VAL 78 2HG1 VAL 78 -7.909 3.324 0.804 683 HG13 VAL 78 3HG1 VAL 78 -6.164 3.170 0.997 684 HG21 VAL 78 3HG2 VAL 78 -8.951 2.692 -1.499 685 HG22 VAL 78 1HG2 VAL 78 -8.171 1.118 -1.336 686 HG23 VAL 78 2HG2 VAL 78 -7.872 2.106 -2.764 687 H ARG 79 H ARG 79 -4.467 3.714 -2.565 688 HA ARG 79 HA ARG 79 -5.477 3.834 -5.335 689 HB2 ARG 79 3HB ARG 79 -3.453 4.849 -6.085 690 HB3 ARG 79 2HB ARG 79 -2.639 4.542 -4.557 691 HG2 ARG 79 3HG ARG 79 -3.980 6.219 -3.449 692 HG3 ARG 79 2HG ARG 79 -4.926 6.476 -4.918 693 HD2 ARG 79 3HD ARG 79 -1.948 6.930 -4.746 694 HD3 ARG 79 2HD ARG 79 -3.148 8.196 -4.485 695 HE ARG 79 HE ARG 79 -3.906 7.462 -6.858 696 HH11 ARG 79 1HH1 ARG 79 -0.635 7.585 -5.767 697 HH12 ARG 79 2HH1 ARG 79 -0.024 8.003 -7.328 698 HH21 ARG 79 2HH2 ARG 79 -1.396 8.228 -9.046 699 HH22 ARG 79 1HH2 ARG 79 -3.100 8.008 -8.841 700 H THR 80 H THR 80 -5.770 1.579 -5.423 701 HA THR 80 HA THR 80 -3.562 -0.135 -4.559 702 HB THR 80 HB THR 80 -6.270 -1.077 -5.522 703 HG1 THR 80 HG1 THR 80 -6.033 -1.106 -2.841 704 HG21 THR 80 3HG2 THR 80 -5.772 -3.056 -4.210 705 HG22 THR 80 1HG2 THR 80 -4.280 -2.329 -3.616 706 HG23 THR 80 2HG2 THR 80 -4.432 -2.755 -5.317 707 H ARG 81 H ARG 81 -2.067 -0.644 -6.011 708 HA ARG 81 HA ARG 81 -2.881 -1.265 -8.789 709 HB2 ARG 81 3HB ARG 81 -0.604 -0.558 -9.477 710 HB3 ARG 81 2HB ARG 81 -0.246 -0.118 -7.812 711 HG2 ARG 81 3HG ARG 81 -0.768 1.852 -9.111 712 HG3 ARG 81 2HG ARG 81 -2.009 1.585 -7.886 713 HD2 ARG 81 3HD ARG 81 -3.469 0.576 -9.569 714 HD3 ARG 81 2HD ARG 81 -2.224 0.813 -10.797 715 HE ARG 81 HE ARG 81 -2.878 3.274 -9.561 716 HH11 ARG 81 1HH1 ARG 81 -4.117 0.977 -11.804 717 HH12 ARG 81 2HH1 ARG 81 -5.045 2.153 -12.664 718 HH21 ARG 81 2HH2 ARG 81 -5.040 4.283 -12.015 719 HH22 ARG 81 1HH2 ARG 81 -4.079 4.779 -10.667 720 H LYS 82 H LYS 82 -1.861 -3.068 -9.803 721 HA LYS 82 HA LYS 82 -0.838 -5.046 -7.900 722 HB2 LYS 82 3HB LYS 82 -1.534 -5.483 -10.810 723 HB3 LYS 82 2HB LYS 82 -2.699 -5.615 -9.498 724 HG2 LYS 82 3HG LYS 82 -1.487 -7.450 -8.524 725 HG3 LYS 82 2HG LYS 82 -0.177 -7.260 -9.688 726 HD2 LYS 82 3HD LYS 82 -3.017 -7.931 -10.464 727 HD3 LYS 82 2HD LYS 82 -1.766 -9.144 -10.181 728 HE2 LYS 82 3HE LYS 82 -0.391 -8.097 -11.956 729 HE3 LYS 82 2HE LYS 82 -1.703 -6.961 -12.267 730 HZ1 LYS 82 3HZ LYS 82 -2.022 -9.901 -12.465 731 HZ2 LYS 82 1HZ LYS 82 -1.624 -8.914 -13.780 732 HZ3 LYS 82 2HZ LYS 82 -3.101 -8.708 -12.987 733 H VAL 83 H VAL 83 1.243 -5.601 -7.766 734 HA VAL 83 HA VAL 83 3.056 -4.914 -9.994 735 HB VAL 83 HB VAL 83 4.858 -4.608 -8.357 736 HG11 VAL 83 1HG1 VAL 83 4.094 -2.501 -7.368 737 HG12 VAL 83 2HG1 VAL 83 2.421 -2.940 -7.714 738 HG13 VAL 83 3HG1 VAL 83 3.550 -2.659 -9.040 739 HG21 VAL 83 3HG2 VAL 83 4.075 -6.122 -6.601 740 HG22 VAL 83 1HG2 VAL 83 2.728 -5.036 -6.249 741 HG23 VAL 83 2HG2 VAL 83 4.387 -4.514 -5.948 742 H THR 84 H THR 84 4.277 -6.542 -10.827 743 HA THR 84 HA THR 84 4.402 -9.099 -9.329 744 HB THR 84 HB THR 84 4.663 -10.262 -11.470 745 HG1 THR 84 HG1 THR 84 5.153 -9.177 -13.212 746 HG21 THR 84 3HG2 THR 84 2.402 -9.899 -12.386 747 HG22 THR 84 1HG2 THR 84 2.266 -8.414 -11.443 748 HG23 THR 84 2HG2 THR 84 2.387 -9.973 -10.623 749 H SER 85 H SER 85 6.218 -6.505 -9.966 750 HA SER 85 HA SER 85 8.718 -7.972 -9.665 751 HB2 SER 85 3HB SER 85 9.842 -6.620 -11.449 752 HB3 SER 85 2HB SER 85 8.261 -5.997 -11.927 753 HG SER 85 HG SER 85 8.192 -8.689 -11.788 754 HA PRO 86 HA PRO 86 9.572 -4.836 -6.717 755 HB2 PRO 86 2HB PRO 86 12.297 -4.496 -7.001 756 HB3 PRO 86 3HB PRO 86 11.541 -5.844 -6.141 757 HG2 PRO 86 3HG PRO 86 12.774 -7.017 -7.731 758 HG3 PRO 86 2HG PRO 86 12.585 -5.742 -8.952 759 HD2 PRO 86 3HD PRO 86 10.618 -7.833 -8.071 760 HD3 PRO 86 2HD PRO 86 10.975 -7.244 -9.709 761 H ASP 87 H ASP 87 11.098 -4.247 -9.882 762 HA ASP 87 HA ASP 87 11.581 -1.519 -9.677 763 HB2 ASP 87 3HB ASP 87 11.611 -1.491 -12.095 764 HB3 ASP 87 2HB ASP 87 10.655 -2.971 -12.165 765 H GLU 88 H GLU 88 8.556 -3.189 -10.287 766 HA GLU 88 HA GLU 88 6.992 -0.953 -11.026 767 HB2 GLU 88 3HB GLU 88 5.085 -2.429 -10.086 768 HB3 GLU 88 2HB GLU 88 6.337 -3.630 -9.808 769 HG2 GLU 88 3HG GLU 88 5.345 -4.171 -11.876 770 HG3 GLU 88 2HG GLU 88 6.908 -3.445 -12.258 771 H ALA 89 H ALA 89 7.191 -2.603 -7.851 772 HA ALA 89 HA ALA 89 5.717 -0.785 -6.360 773 HB1 ALA 89 3HB ALA 89 6.881 -1.666 -4.392 774 HB2 ALA 89 1HB ALA 89 8.096 -2.404 -5.439 775 HB3 ALA 89 2HB ALA 89 6.425 -2.958 -5.501 776 H LYS 90 H LYS 90 9.191 -0.755 -7.079 777 HA LYS 90 HA LYS 90 9.986 1.478 -5.628 778 HB2 LYS 90 3HB LYS 90 11.798 1.697 -7.351 779 HB3 LYS 90 2HB LYS 90 10.966 0.486 -8.317 780 HG2 LYS 90 3HG LYS 90 11.195 -1.076 -6.336 781 HG3 LYS 90 2HG LYS 90 12.281 0.123 -5.631 782 HD2 LYS 90 3HD LYS 90 12.672 -1.191 -8.325 783 HD3 LYS 90 2HD LYS 90 13.476 -1.687 -6.839 784 HE2 LYS 90 3HE LYS 90 13.704 1.086 -7.996 785 HE3 LYS 90 2HE LYS 90 14.832 -0.216 -8.364 786 HZ1 LYS 90 3HZ LYS 90 15.684 1.167 -6.606 787 HZ2 LYS 90 1HZ LYS 90 15.349 -0.377 -6.001 788 HZ3 LYS 90 2HZ LYS 90 14.305 0.914 -5.670 789 H ARG 91 H ARG 91 8.818 1.393 -9.019 790 HA ARG 91 HA ARG 91 8.951 4.186 -9.416 791 HB2 ARG 91 3HB ARG 91 7.222 2.125 -10.806 792 HB3 ARG 91 2HB ARG 91 8.807 2.698 -11.327 793 HG2 ARG 91 3HG ARG 91 7.954 4.870 -11.809 794 HG3 ARG 91 2HG ARG 91 6.419 4.511 -11.022 795 HD2 ARG 91 3HD ARG 91 6.035 2.754 -12.779 796 HD3 ARG 91 2HD ARG 91 7.450 3.396 -13.620 797 HE ARG 91 HE ARG 91 5.819 5.560 -13.114 798 HH11 ARG 91 1HH1 ARG 91 5.560 2.626 -14.899 799 HH12 ARG 91 2HH1 ARG 91 4.432 3.293 -16.026 800 HH21 ARG 91 2HH2 ARG 91 3.745 5.398 -15.812 801 HH22 ARG 91 1HH2 ARG 91 4.348 6.387 -14.526 802 H TRP 92 H TRP 92 6.142 2.114 -8.587 803 HA TRP 92 HA TRP 92 4.203 4.111 -8.661 804 HB2 TRP 92 3HB TRP 92 2.911 2.591 -7.061 805 HB3 TRP 92 2HB TRP 92 4.321 1.535 -7.091 806 HD1 TRP 92 HD1 TRP 92 4.371 -0.218 -8.996 807 HE1 TRP 92 HE1 TRP 92 3.043 -0.597 -11.169 808 HE3 TRP 92 HE3 TRP 92 1.611 4.088 -9.025 809 HZ2 TRP 92 HZ2 TRP 92 1.080 0.748 -12.688 810 HZ3 TRP 92 HZ3 TRP 92 0.032 4.465 -10.872 811 HH2 TRP 92 HH2 TRP 92 -0.228 2.829 -12.667 812 H ILE 93 H ILE 93 6.316 3.177 -5.955 813 HA ILE 93 HA ILE 93 5.144 4.879 -4.026 814 HB ILE 93 HB ILE 93 8.003 3.910 -4.245 815 HG12 ILE 93 3HG1 ILE 93 6.307 2.133 -3.996 816 HG13 ILE 93 2HG1 ILE 93 5.663 2.942 -2.571 817 HG21 ILE 93 1HG2 ILE 93 7.928 5.930 -2.881 818 HG22 ILE 93 2HG2 ILE 93 8.228 4.517 -1.870 819 HG23 ILE 93 3HG2 ILE 93 6.622 5.248 -1.910 820 HD11 ILE 93 3HD1 ILE 93 7.762 2.579 -1.401 821 HD12 ILE 93 1HD1 ILE 93 8.434 1.802 -2.834 822 HD13 ILE 93 2HD1 ILE 93 7.082 1.058 -1.980 823 H LYS 94 H LYS 94 7.810 5.465 -6.344 824 HA LYS 94 HA LYS 94 8.293 8.151 -5.614 825 HB2 LYS 94 3HB LYS 94 8.610 6.812 -8.313 826 HB3 LYS 94 2HB LYS 94 9.839 6.945 -7.060 827 HG2 LYS 94 3HG LYS 94 9.844 9.385 -7.316 828 HG3 LYS 94 2HG LYS 94 8.598 9.259 -8.556 829 HD2 LYS 94 3HD LYS 94 10.141 7.936 -9.955 830 HD3 LYS 94 2HD LYS 94 11.394 8.133 -8.727 831 HE2 LYS 94 3HE LYS 94 11.260 10.584 -9.014 832 HE3 LYS 94 2HE LYS 94 10.058 10.353 -10.283 833 HZ1 LYS 94 3HZ LYS 94 12.220 10.682 -11.246 834 HZ2 LYS 94 1HZ LYS 94 11.719 9.094 -11.537 835 HZ3 LYS 94 2HZ LYS 94 12.870 9.411 -10.340 836 H GLU 95 H GLU 95 6.261 6.877 -8.269 837 HA GLU 95 HA GLU 95 5.147 9.203 -9.236 838 HB2 GLU 95 3HB GLU 95 3.239 7.844 -9.965 839 HB3 GLU 95 2HB GLU 95 3.682 6.580 -8.828 840 HG2 GLU 95 3HG GLU 95 4.461 5.754 -10.832 841 HG3 GLU 95 2HG GLU 95 5.905 6.474 -10.129 842 H PHE 96 H PHE 96 3.992 7.233 -6.518 843 HA PHE 96 HA PHE 96 1.752 8.773 -5.805 844 HB2 PHE 96 3HB PHE 96 3.533 7.050 -4.062 845 HB3 PHE 96 2HB PHE 96 2.169 6.479 -5.013 846 HD1 PHE 96 HD1 PHE 96 3.151 7.261 -1.802 847 HD2 PHE 96 HD2 PHE 96 -0.085 7.906 -4.497 848 HE1 PHE 96 HE1 PHE 96 1.642 7.635 0.103 849 HE2 PHE 96 HE2 PHE 96 -1.596 8.282 -2.593 850 HZ PHE 96 HZ PHE 96 -0.731 8.149 -0.292 851 H SER 97 H SER 97 5.115 8.924 -4.630 852 HA SER 97 HA SER 97 4.704 11.020 -2.750 853 HB2 SER 97 3HB SER 97 7.272 10.246 -4.171 854 HB3 SER 97 2HB SER 97 6.662 9.483 -2.706 855 HG SER 97 HG SER 97 7.129 11.253 -1.554 856 H GLU 98 H GLU 98 5.377 10.990 -6.185 857 HA GLU 98 HA GLU 98 6.011 13.768 -6.425 858 HB2 GLU 98 3HB GLU 98 5.588 13.352 -8.884 859 HB3 GLU 98 2HB GLU 98 5.144 11.704 -8.460 860 HG2 GLU 98 3HG GLU 98 7.374 11.585 -9.169 861 HG3 GLU 98 2HG GLU 98 7.443 11.495 -7.410 862 H GLU 99 H GLU 99 3.044 11.918 -6.463 863 HA GLU 99 HA GLU 99 1.418 14.092 -7.447 864 HB2 GLU 99 3HB GLU 99 -0.489 12.577 -6.861 865 HB3 GLU 99 2HB GLU 99 0.673 11.437 -6.197 866 HG2 GLU 99 3HG GLU 99 0.035 10.730 -8.401 867 HG3 GLU 99 2HG GLU 99 1.721 11.244 -8.422 868 H GLY 100 H GLY 100 1.463 12.359 -4.307 869 HA2 GLY 100 3HA GLY 100 1.328 14.745 -2.757 870 HA3 GLY 100 2HA GLY 100 1.081 13.113 -2.164 871 H GLY 101 H GLY 101 -1.101 13.377 -4.591 872 HA2 GLY 101 3HA GLY 101 -3.317 13.775 -2.781 873 HA3 GLY 101 2HA GLY 101 -3.418 13.414 -4.498 874 H SER 102 H SER 102 -2.103 16.129 -2.570 875 HA SER 102 HA SER 102 -2.827 18.068 -4.557 876 HB2 SER 102 3HB SER 102 -4.408 18.067 -1.967 877 HB3 SER 102 2HB SER 102 -5.058 17.728 -3.571 878 HG SER 102 HG SER 102 -5.184 19.789 -3.934 879 H LEU 103 H LEU 103 -0.965 19.197 -4.471 880 HA LEU 103 HA LEU 103 0.104 19.956 -1.819 881 HB2 LEU 103 3HB LEU 103 2.307 20.107 -2.914 882 HB3 LEU 103 2HB LEU 103 1.581 19.632 -4.439 883 HG LEU 103 HG LEU 103 1.021 17.423 -3.486 884 HD11 LEU 103 1HD1 LEU 103 3.308 16.546 -3.331 885 HD12 LEU 103 2HD1 LEU 103 3.924 18.191 -3.168 886 HD13 LEU 103 3HD1 LEU 103 3.134 17.689 -4.664 887 HD21 LEU 103 3HD2 LEU 103 1.893 16.754 -1.303 888 HD22 LEU 103 1HD2 LEU 103 0.758 18.094 -1.142 889 HD23 LEU 103 2HD2 LEU 103 2.494 18.390 -1.028 890 H GLU 104 H GLU 104 -0.787 21.145 -4.994 891 HA GLU 104 HA GLU 104 0.408 23.697 -4.817 892 HB2 GLU 104 3HB GLU 104 -1.903 23.888 -6.475 893 HB3 GLU 104 2HB GLU 104 -1.240 22.276 -6.690 894 HG2 GLU 104 3HG GLU 104 -0.248 23.634 -8.344 895 HG3 GLU 104 2HG GLU 104 0.992 23.351 -7.126 896 H HIS 105 H HIS 105 -0.731 25.766 -4.776 897 HA HIS 105 HA HIS 105 -1.885 26.256 -2.314 898 HB2 HIS 105 3HB HIS 105 -0.817 28.048 -3.417 899 HB3 HIS 105 2HB HIS 105 -2.509 28.512 -3.315 900 HD1 HIS 105 HD1 HIS 105 -0.453 29.646 -5.407 901 HD2 HIS 105 HD2 HIS 105 -3.233 26.657 -6.160 902 HE1 HIS 105 HE1 HIS 105 -0.845 29.698 -7.883 903 HE2 HIS 105 HE2 HIS 105 -2.340 27.730 -8.329 904 H HIS 106 H HIS 106 -3.884 26.261 -1.459 905 HA HIS 106 HA HIS 106 -6.148 25.216 -2.746 906 HB2 HIS 106 3HB HIS 106 -5.831 25.405 -0.254 907 HB3 HIS 106 2HB HIS 106 -7.414 25.926 -0.817 908 HD1 HIS 106 HD1 HIS 106 -8.160 28.166 -0.039 909 HD2 HIS 106 HD2 HIS 106 -4.039 27.724 0.251 910 HE1 HIS 106 HE1 HIS 106 -7.334 30.260 1.059 911 HE2 HIS 106 HE2 HIS 106 -4.832 30.074 0.971 912 H HIS 107 H HIS 107 -7.936 26.175 -3.778 913 HA HIS 107 HA HIS 107 -8.105 29.063 -3.973 914 HB2 HIS 107 3HB HIS 107 -6.483 28.698 -5.707 915 HB3 HIS 107 2HB HIS 107 -8.019 29.083 -6.469 916 HD1 HIS 107 HD1 HIS 107 -5.779 26.110 -5.788 917 HD2 HIS 107 HD2 HIS 107 -8.928 27.216 -8.263 918 HE1 HIS 107 HE1 HIS 107 -5.986 24.266 -7.474 919 HE2 HIS 107 HE2 HIS 107 -7.756 25.057 -9.073 920 H HIS 108 H HIS 108 -10.171 29.501 -3.681 921 HA HIS 108 HA HIS 108 -12.349 27.784 -4.215 922 HB2 HIS 108 3HB HIS 108 -12.215 30.788 -3.831 923 HB3 HIS 108 2HB HIS 108 -12.566 29.577 -2.604 924 HD1 HIS 108 HD1 HIS 108 -14.128 31.496 -5.382 925 HD2 HIS 108 HD2 HIS 108 -15.194 28.544 -2.661 926 HE1 HIS 108 HE1 HIS 108 -16.627 31.335 -5.515 927 HE2 HIS 108 HE2 HIS 108 -17.241 29.468 -3.947 928 H HIS 109 H HIS 109 -13.867 27.771 -5.925 929 HA HIS 109 HA HIS 109 -14.570 27.817 -8.085 930 HB2 HIS 109 3HB HIS 109 -12.915 30.352 -8.226 931 HB3 HIS 109 2HB HIS 109 -14.649 30.236 -7.956 932 HD1 HIS 109 HD1 HIS 109 -12.069 29.767 -10.673 933 HD2 HIS 109 HD2 HIS 109 -16.194 30.110 -10.247 934 HE1 HIS 109 HE1 HIS 109 -12.967 30.004 -13.000 935 HE2 HIS 109 HE2 HIS 109 -15.463 30.126 -12.735 936 H HIS 110 H HIS 110 -13.743 26.008 -8.979 937 HA HIS 110 HA HIS 110 -11.082 26.167 -10.231 938 HB2 HIS 110 3HB HIS 110 -10.614 25.038 -8.191 939 HB3 HIS 110 2HB HIS 110 -10.648 23.800 -9.440 940 HD1 HIS 110 HD1 HIS 110 -12.482 22.012 -9.297 941 HD2 HIS 110 HD2 HIS 110 -12.732 24.883 -6.304 942 HE1 HIS 110 HE1 HIS 110 -14.119 21.102 -7.633 943 HE2 HIS 110 HE2 HIS 110 -14.123 22.769 -5.753 Start of MODEL 18 1 H1 MET 1 1H MET 1 0.600 16.644 5.405 2 H2 MET 1 2H MET 1 0.368 17.646 4.065 3 H3 MET 1 3H MET 1 1.572 16.460 4.032 4 HA MET 1 HA MET 1 -1.346 15.941 4.192 5 HB2 MET 1 3HB MET 1 0.545 15.443 1.879 6 HB3 MET 1 2HB MET 1 -0.490 16.858 2.000 7 HG2 MET 1 3HG MET 1 -1.437 14.000 1.876 8 HG3 MET 1 2HG MET 1 -1.447 15.155 0.542 9 HE1 MET 1 3HE MET 1 -4.059 13.599 1.341 10 HE2 MET 1 1HE MET 1 -4.025 14.839 0.086 11 HE3 MET 1 2HE MET 1 -5.255 14.895 1.349 12 H LEU 2 H LEU 2 -1.911 13.777 4.562 13 HA LEU 2 HA LEU 2 0.285 12.119 5.542 14 HB2 LEU 2 3HB LEU 2 -1.453 10.670 6.473 15 HB3 LEU 2 2HB LEU 2 -2.692 11.617 5.674 16 HG LEU 2 HG LEU 2 -0.852 13.011 7.580 17 HD11 LEU 2 1HD1 LEU 2 -2.836 14.348 8.033 18 HD12 LEU 2 2HD1 LEU 2 -3.783 13.328 6.946 19 HD13 LEU 2 3HD1 LEU 2 -2.463 14.315 6.311 20 HD21 LEU 2 3HD2 LEU 2 -1.456 11.023 8.826 21 HD22 LEU 2 1HD2 LEU 2 -3.161 11.267 8.442 22 HD23 LEU 2 2HD2 LEU 2 -2.313 12.421 9.470 23 H LEU 3 H LEU 3 1.238 10.652 4.329 24 HA LEU 3 HA LEU 3 -0.281 9.248 2.223 25 HB2 LEU 3 3HB LEU 3 1.771 9.352 0.805 26 HB3 LEU 3 2HB LEU 3 2.507 10.400 2.002 27 HG LEU 3 HG LEU 3 0.635 12.047 1.582 28 HD11 LEU 3 1HD1 LEU 3 2.858 12.334 0.607 29 HD12 LEU 3 2HD1 LEU 3 1.604 12.891 -0.497 30 HD13 LEU 3 3HD1 LEU 3 2.393 11.338 -0.771 31 HD21 LEU 3 3HD2 LEU 3 0.081 10.235 -0.770 32 HD22 LEU 3 1HD2 LEU 3 -0.631 11.826 -0.495 33 HD23 LEU 3 2HD2 LEU 3 -0.986 10.500 0.610 34 H TYR 4 H TYR 4 -0.223 7.107 2.546 35 HA TYR 4 HA TYR 4 2.138 5.905 3.864 36 HB2 TYR 4 3HB TYR 4 0.523 4.298 4.965 37 HB3 TYR 4 2HB TYR 4 -0.785 5.343 4.416 38 HD1 TYR 4 HD1 TYR 4 -0.858 7.740 5.252 39 HD2 TYR 4 HD2 TYR 4 1.741 4.809 6.917 40 HE1 TYR 4 HE1 TYR 4 -0.561 9.142 7.248 41 HE2 TYR 4 HE2 TYR 4 2.038 6.202 8.916 42 HH TYR 4 HH TYR 4 1.884 8.685 9.451 43 H VAL 5 H VAL 5 2.454 3.597 3.419 44 HA VAL 5 HA VAL 5 1.241 2.733 0.862 45 HB VAL 5 HB VAL 5 4.167 2.444 1.603 46 HG11 VAL 5 1HG1 VAL 5 3.403 0.541 0.308 47 HG12 VAL 5 2HG1 VAL 5 4.436 1.566 -0.689 48 HG13 VAL 5 3HG1 VAL 5 2.684 1.610 -0.898 49 HG21 VAL 5 3HG2 VAL 5 3.626 4.747 0.992 50 HG22 VAL 5 1HG2 VAL 5 2.864 4.188 -0.497 51 HG23 VAL 5 2HG2 VAL 5 4.601 3.983 -0.264 52 H LEU 6 H LEU 6 0.300 0.792 1.002 53 HA LEU 6 HA LEU 6 1.235 -1.154 3.018 54 HB2 LEU 6 3HB LEU 6 -0.962 -2.279 2.636 55 HB3 LEU 6 2HB LEU 6 -1.400 -0.985 1.536 56 HG LEU 6 HG LEU 6 -1.309 0.632 3.385 57 HD11 LEU 6 1HD1 LEU 6 -3.032 -1.766 4.024 58 HD12 LEU 6 2HD1 LEU 6 -3.421 -0.502 2.857 59 HD13 LEU 6 3HD1 LEU 6 -3.296 -0.109 4.571 60 HD21 LEU 6 3HD2 LEU 6 -1.065 -0.145 5.696 61 HD22 LEU 6 1HD2 LEU 6 0.396 -0.441 4.755 62 HD23 LEU 6 2HD2 LEU 6 -0.705 -1.771 5.114 63 H ILE 7 H ILE 7 2.429 -2.814 2.271 64 HA ILE 7 HA ILE 7 2.217 -3.493 -0.600 65 HB ILE 7 HB ILE 7 4.391 -2.565 -0.001 66 HG12 ILE 7 3HG1 ILE 7 4.268 -4.287 -1.771 67 HG13 ILE 7 2HG1 ILE 7 4.553 -5.542 -0.568 68 HG21 ILE 7 1HG2 ILE 7 4.452 -3.194 2.355 69 HG22 ILE 7 2HG2 ILE 7 5.912 -3.721 1.521 70 HG23 ILE 7 3HG2 ILE 7 4.651 -4.891 1.908 71 HD11 ILE 7 3HD1 ILE 7 6.757 -4.619 -0.110 72 HD12 ILE 7 1HD1 ILE 7 6.473 -3.341 -1.293 73 HD13 ILE 7 2HD1 ILE 7 6.571 -5.021 -1.817 74 H ILE 8 H ILE 8 1.709 -5.502 -1.208 75 HA ILE 8 HA ILE 8 1.702 -7.667 0.813 76 HB ILE 8 HB ILE 8 -0.242 -7.292 -1.489 77 HG12 ILE 8 3HG1 ILE 8 -0.562 -5.710 0.420 78 HG13 ILE 8 2HG1 ILE 8 -0.733 -7.092 1.495 79 HG21 ILE 8 1HG2 ILE 8 -1.435 -9.218 -0.546 80 HG22 ILE 8 2HG2 ILE 8 -0.171 -9.409 0.670 81 HG23 ILE 8 3HG2 ILE 8 0.202 -9.652 -1.038 82 HD11 ILE 8 3HD1 ILE 8 -2.729 -7.797 0.303 83 HD12 ILE 8 1HD1 ILE 8 -2.551 -6.435 -0.805 84 HD13 ILE 8 2HD1 ILE 8 -2.885 -6.145 0.901 85 H SER 9 H SER 9 3.365 -9.023 0.323 86 HA SER 9 HA SER 9 3.540 -10.226 -2.296 87 HB2 SER 9 3HB SER 9 5.822 -8.465 -1.357 88 HB3 SER 9 2HB SER 9 4.781 -8.166 -2.747 89 HG SER 9 HG SER 9 6.062 -9.379 -3.866 90 H ASN 10 H ASN 10 5.562 -11.702 -2.419 91 HA ASN 10 HA ASN 10 5.753 -13.109 0.174 92 HB2 ASN 10 3HB ASN 10 6.272 -15.132 -1.274 93 HB3 ASN 10 2HB ASN 10 5.823 -14.150 -2.663 94 HD21 ASN 10 2HD2 ASN 10 2.955 -16.170 -1.245 95 HD22 ASN 10 1HD2 ASN 10 4.608 -16.577 -1.548 96 H ASP 11 H ASP 11 7.629 -11.994 -2.602 97 HA ASP 11 HA ASP 11 10.107 -13.037 -1.491 98 HB2 ASP 11 3HB ASP 11 11.108 -11.850 -3.538 99 HB3 ASP 11 2HB ASP 11 9.443 -11.551 -4.029 100 H LYS 12 H LYS 12 11.358 -11.972 -0.127 101 HA LYS 12 HA LYS 12 10.849 -9.327 0.735 102 HB2 LYS 12 3HB LYS 12 13.060 -9.567 1.930 103 HB3 LYS 12 2HB LYS 12 13.242 -11.129 1.143 104 HG2 LYS 12 3HG LYS 12 12.398 -11.390 3.412 105 HG3 LYS 12 2HG LYS 12 11.193 -11.919 2.233 106 HD2 LYS 12 3HD LYS 12 10.029 -9.767 2.454 107 HD3 LYS 12 2HD LYS 12 11.227 -9.241 3.636 108 HE2 LYS 12 3HE LYS 12 9.369 -11.600 3.954 109 HE3 LYS 12 2HE LYS 12 9.165 -10.020 4.711 110 HZ1 LYS 12 3HZ LYS 12 11.416 -11.901 5.175 111 HZ2 LYS 12 1HZ LYS 12 10.155 -11.560 6.250 112 HZ3 LYS 12 2HZ LYS 12 11.281 -10.362 5.861 113 H LYS 13 H LYS 13 12.452 -10.431 -2.027 114 HA LYS 13 HA LYS 13 14.376 -8.367 -2.368 115 HB2 LYS 13 3HB LYS 13 14.395 -8.989 -4.736 116 HB3 LYS 13 2HB LYS 13 12.921 -9.919 -4.530 117 HG2 LYS 13 3HG LYS 13 15.380 -10.620 -2.964 118 HG3 LYS 13 2HG LYS 13 15.199 -11.146 -4.637 119 HD2 LYS 13 3HD LYS 13 12.942 -12.114 -3.938 120 HD3 LYS 13 2HD LYS 13 13.464 -11.848 -2.275 121 HE2 LYS 13 3HE LYS 13 15.336 -13.322 -2.549 122 HE3 LYS 13 2HE LYS 13 15.007 -13.486 -4.275 123 HZ1 LYS 13 3HZ LYS 13 13.278 -14.444 -2.058 124 HZ2 LYS 13 1HZ LYS 13 14.193 -15.401 -3.112 125 HZ3 LYS 13 2HZ LYS 13 12.871 -14.521 -3.699 126 H LEU 14 H LEU 14 11.067 -8.815 -3.536 127 HA LEU 14 HA LEU 14 10.768 -6.293 -4.784 128 HB2 LEU 14 3HB LEU 14 8.622 -8.071 -3.591 129 HB3 LEU 14 2HB LEU 14 9.367 -8.357 -5.147 130 HG LEU 14 HG LEU 14 8.466 -6.035 -5.819 131 HD11 LEU 14 1HD1 LEU 14 7.584 -8.137 -6.684 132 HD12 LEU 14 2HD1 LEU 14 6.285 -6.977 -6.406 133 HD13 LEU 14 3HD1 LEU 14 6.547 -8.300 -5.268 134 HD21 LEU 14 3HD2 LEU 14 6.422 -5.342 -4.621 135 HD22 LEU 14 1HD2 LEU 14 7.868 -5.192 -3.623 136 HD23 LEU 14 2HD2 LEU 14 6.763 -6.544 -3.376 137 H ILE 15 H ILE 15 9.920 -7.499 -1.555 138 HA ILE 15 HA ILE 15 8.614 -5.182 -0.628 139 HB ILE 15 HB ILE 15 10.026 -7.313 0.991 140 HG12 ILE 15 3HG1 ILE 15 8.275 -8.220 -0.492 141 HG13 ILE 15 2HG1 ILE 15 7.120 -7.057 0.150 142 HG21 ILE 15 1HG2 ILE 15 7.927 -5.310 1.847 143 HG22 ILE 15 2HG2 ILE 15 9.629 -5.290 2.311 144 HG23 ILE 15 3HG2 ILE 15 8.584 -6.607 2.846 145 HD11 ILE 15 3HD1 ILE 15 7.274 -8.099 2.348 146 HD12 ILE 15 1HD1 ILE 15 8.440 -9.263 1.717 147 HD13 ILE 15 2HD1 ILE 15 6.783 -9.256 1.112 148 H GLU 16 H GLU 16 11.999 -6.250 -0.087 149 HA GLU 16 HA GLU 16 12.616 -4.060 1.601 150 HB2 GLU 16 3HB GLU 16 14.992 -4.751 1.288 151 HB3 GLU 16 2HB GLU 16 14.449 -5.930 0.100 152 HG2 GLU 16 3HG GLU 16 13.125 -7.066 1.805 153 HG3 GLU 16 2HG GLU 16 13.590 -5.853 2.996 154 H GLU 17 H GLU 17 13.098 -4.515 -1.913 155 HA GLU 17 HA GLU 17 14.483 -2.059 -2.264 156 HB2 GLU 17 3HB GLU 17 13.649 -2.226 -4.671 157 HB3 GLU 17 2HB GLU 17 12.879 -3.734 -4.197 158 HG2 GLU 17 3HG GLU 17 14.891 -4.838 -3.931 159 HG3 GLU 17 2HG GLU 17 15.791 -3.348 -3.647 160 H ALA 18 H ALA 18 11.052 -2.881 -2.195 161 HA ALA 18 HA ALA 18 10.023 -0.340 -2.855 162 HB1 ALA 18 3HB ALA 18 8.656 -2.384 -2.753 163 HB2 ALA 18 1HB ALA 18 7.967 -1.085 -1.780 164 HB3 ALA 18 2HB ALA 18 8.834 -2.408 -0.998 165 H ARG 19 H ARG 19 10.890 -1.758 0.300 166 HA ARG 19 HA ARG 19 10.292 0.387 1.977 167 HB2 ARG 19 3HB ARG 19 12.088 -0.539 3.467 168 HB3 ARG 19 2HB ARG 19 12.556 -1.618 2.158 169 HG2 ARG 19 3HG ARG 19 10.259 -2.589 2.218 170 HG3 ARG 19 2HG ARG 19 9.929 -1.601 3.643 171 HD2 ARG 19 3HD ARG 19 12.009 -3.775 3.370 172 HD3 ARG 19 2HD ARG 19 10.553 -3.813 4.365 173 HE ARG 19 HE ARG 19 12.743 -1.903 4.867 174 HH11 ARG 19 1HH1 ARG 19 10.535 -4.300 5.979 175 HH12 ARG 19 2HH1 ARG 19 10.984 -4.084 7.633 176 HH21 ARG 19 2HH2 ARG 19 12.535 -2.619 8.196 177 HH22 ARG 19 1HH2 ARG 19 13.317 -1.666 6.982 178 H LYS 20 H LYS 20 13.290 -0.276 0.188 179 HA LYS 20 HA LYS 20 14.842 1.869 1.042 180 HB2 LYS 20 3HB LYS 20 16.031 1.599 -1.150 181 HB3 LYS 20 2HB LYS 20 14.755 0.499 -1.657 182 HG2 LYS 20 3HG LYS 20 15.324 -0.930 0.330 183 HG3 LYS 20 2HG LYS 20 16.722 0.114 0.593 184 HD2 LYS 20 3HD LYS 20 17.513 -0.441 -1.701 185 HD3 LYS 20 2HD LYS 20 16.162 -1.570 -1.853 186 HE2 LYS 20 3HE LYS 20 18.360 -1.721 0.211 187 HE3 LYS 20 2HE LYS 20 18.227 -2.725 -1.231 188 HZ1 LYS 20 3HZ LYS 20 16.242 -2.644 0.978 189 HZ2 LYS 20 1HZ LYS 20 17.405 -3.852 0.752 190 HZ3 LYS 20 2HZ LYS 20 16.177 -3.641 -0.385 191 H MET 21 H MET 21 12.562 1.749 -1.702 192 HA MET 21 HA MET 21 12.890 4.468 -2.448 193 HB2 MET 21 3HB MET 21 10.599 4.089 -3.560 194 HB3 MET 21 2HB MET 21 10.739 2.432 -2.987 195 HG2 MET 21 3HG MET 21 11.478 2.670 -5.302 196 HG3 MET 21 2HG MET 21 12.790 2.143 -4.247 197 HE1 MET 21 3HE MET 21 11.400 5.809 -4.305 198 HE2 MET 21 1HE MET 21 11.151 5.298 -5.975 199 HE3 MET 21 2HE MET 21 12.347 6.541 -5.600 200 H ALA 22 H ALA 22 10.693 2.858 -0.190 201 HA ALA 22 HA ALA 22 8.997 5.018 0.371 202 HB1 ALA 22 3HB ALA 22 8.581 2.710 1.123 203 HB2 ALA 22 1HB ALA 22 8.469 3.870 2.447 204 HB3 ALA 22 2HB ALA 22 9.904 2.860 2.278 205 H GLU 23 H GLU 23 12.203 4.226 1.606 206 HA GLU 23 HA GLU 23 12.340 6.277 3.566 207 HB2 GLU 23 3HB GLU 23 14.815 5.900 3.421 208 HB3 GLU 23 2HB GLU 23 14.525 4.808 2.074 209 HG2 GLU 23 3HG GLU 23 14.840 3.556 4.118 210 HG3 GLU 23 2HG GLU 23 13.187 3.365 3.539 211 H LYS 24 H LYS 24 13.405 6.157 0.160 212 HA LYS 24 HA LYS 24 14.427 8.773 -0.003 213 HB2 LYS 24 3HB LYS 24 13.579 8.489 -2.509 214 HB3 LYS 24 2HB LYS 24 13.335 6.825 -2.001 215 HG2 LYS 24 3HG LYS 24 15.935 8.357 -1.965 216 HG3 LYS 24 2HG LYS 24 15.486 7.062 -3.073 217 HD2 LYS 24 3HD LYS 24 15.422 5.470 -1.226 218 HD3 LYS 24 2HD LYS 24 15.823 6.757 -0.087 219 HE2 LYS 24 3HE LYS 24 17.950 7.117 -1.360 220 HE3 LYS 24 2HE LYS 24 17.558 5.682 -2.309 221 HZ1 LYS 24 3HZ LYS 24 17.908 5.729 0.640 222 HZ2 LYS 24 1HZ LYS 24 19.065 5.193 -0.473 223 HZ3 LYS 24 2HZ LYS 24 17.606 4.360 -0.307 224 H ALA 25 H ALA 25 11.140 7.555 -0.543 225 HA ALA 25 HA ALA 25 10.045 10.165 -1.074 226 HB1 ALA 25 3HB ALA 25 8.643 7.554 -0.495 227 HB2 ALA 25 1HB ALA 25 9.104 8.147 -2.091 228 HB3 ALA 25 2HB ALA 25 7.895 9.014 -1.144 229 H ASN 26 H ASN 26 10.923 8.554 1.760 230 HA ASN 26 HA ASN 26 10.628 8.925 3.976 231 HB2 ASN 26 3HB ASN 26 9.881 11.191 4.698 232 HB3 ASN 26 2HB ASN 26 9.490 11.563 3.023 233 HD21 ASN 26 2HD2 ASN 26 13.453 10.839 3.516 234 HD22 ASN 26 1HD2 ASN 26 12.279 9.673 4.009 235 H LEU 27 H LEU 27 8.466 7.697 2.344 236 HA LEU 27 HA LEU 27 6.059 8.355 3.884 237 HB2 LEU 27 3HB LEU 27 4.866 6.964 2.263 238 HB3 LEU 27 2HB LEU 27 6.387 6.477 1.534 239 HG LEU 27 HG LEU 27 6.775 8.743 0.729 240 HD11 LEU 27 1HD1 LEU 27 4.931 8.932 -0.873 241 HD12 LEU 27 2HD1 LEU 27 3.987 7.783 0.079 242 HD13 LEU 27 3HD1 LEU 27 5.482 7.265 -0.703 243 HD21 LEU 27 3HD2 LEU 27 4.188 9.442 2.125 244 HD22 LEU 27 1HD2 LEU 27 5.053 10.496 1.005 245 HD23 LEU 27 2HD2 LEU 27 5.802 10.027 2.530 246 H GLU 28 H GLU 28 5.057 6.911 5.268 247 HA GLU 28 HA GLU 28 6.683 4.815 6.356 248 HB2 GLU 28 3HB GLU 28 4.739 4.428 7.881 249 HB3 GLU 28 2HB GLU 28 3.835 5.635 6.974 250 HG2 GLU 28 3HG GLU 28 5.379 7.366 7.630 251 HG3 GLU 28 2HG GLU 28 6.424 6.188 8.420 252 H LEU 29 H LEU 29 6.914 2.922 5.362 253 HA LEU 29 HA LEU 29 4.696 1.784 3.813 254 HB2 LEU 29 3HB LEU 29 7.614 0.994 3.951 255 HB3 LEU 29 2HB LEU 29 6.888 2.012 2.725 256 HG LEU 29 HG LEU 29 5.382 -0.109 2.260 257 HD11 LEU 29 1HD1 LEU 29 6.943 0.892 0.664 258 HD12 LEU 29 2HD1 LEU 29 7.005 -0.867 0.597 259 HD13 LEU 29 3HD1 LEU 29 8.283 0.028 1.419 260 HD21 LEU 29 3HD2 LEU 29 6.153 -1.472 4.119 261 HD22 LEU 29 1HD2 LEU 29 7.823 -1.334 3.567 262 HD23 LEU 29 2HD2 LEU 29 6.641 -2.213 2.596 263 H ARG 30 H ARG 30 3.467 0.231 4.641 264 HA ARG 30 HA ARG 30 4.471 -1.389 6.905 265 HB2 ARG 30 3HB ARG 30 2.140 -1.709 7.555 266 HB3 ARG 30 2HB ARG 30 1.595 -0.845 6.127 267 HG2 ARG 30 3HG ARG 30 1.354 0.611 7.981 268 HG3 ARG 30 2HG ARG 30 2.700 1.205 7.013 269 HD2 ARG 30 3HD ARG 30 3.138 -0.566 9.404 270 HD3 ARG 30 2HD ARG 30 2.981 1.181 9.558 271 HE ARG 30 HE ARG 30 5.034 0.060 7.786 272 HH11 ARG 30 1HH1 ARG 30 4.177 1.892 10.574 273 HH12 ARG 30 2HH1 ARG 30 5.779 2.502 10.798 274 HH21 ARG 30 2HH2 ARG 30 7.404 1.931 9.401 275 HH22 ARG 30 1HH2 ARG 30 7.093 0.852 8.084 276 H THR 31 H THR 31 4.378 -3.624 6.780 277 HA THR 31 HA THR 31 3.797 -4.742 4.123 278 HB THR 31 HB THR 31 5.028 -6.739 4.844 279 HG1 THR 31 HG1 THR 31 4.596 -5.733 7.312 280 HG21 THR 31 3HG2 THR 31 6.289 -4.888 3.849 281 HG22 THR 31 1HG2 THR 31 7.257 -5.734 5.059 282 HG23 THR 31 2HG2 THR 31 6.523 -4.180 5.448 283 H VAL 32 H VAL 32 2.030 -5.915 3.736 284 HA VAL 32 HA VAL 32 0.312 -6.676 6.003 285 HB VAL 32 HB VAL 32 -0.348 -6.380 3.063 286 HG11 VAL 32 1HG1 VAL 32 -2.180 -6.949 5.397 287 HG12 VAL 32 2HG1 VAL 32 -1.766 -8.071 4.101 288 HG13 VAL 32 3HG1 VAL 32 -2.693 -6.616 3.744 289 HG21 VAL 32 3HG2 VAL 32 -1.587 -4.389 3.741 290 HG22 VAL 32 1HG2 VAL 32 0.118 -4.245 4.170 291 HG23 VAL 32 2HG2 VAL 32 -1.076 -4.625 5.412 292 H LYS 33 H LYS 33 -0.276 -8.762 6.392 293 HA LYS 33 HA LYS 33 1.015 -10.840 4.755 294 HB2 LYS 33 3HB LYS 33 0.762 -12.302 6.709 295 HB3 LYS 33 2HB LYS 33 -0.102 -11.028 7.562 296 HG2 LYS 33 3HG LYS 33 1.887 -9.636 7.569 297 HG3 LYS 33 2HG LYS 33 2.762 -10.851 6.631 298 HD2 LYS 33 3HD LYS 33 2.547 -12.452 8.460 299 HD3 LYS 33 2HD LYS 33 1.596 -11.292 9.389 300 HE2 LYS 33 3HE LYS 33 3.894 -11.346 10.182 301 HE3 LYS 33 2HE LYS 33 3.519 -9.778 9.470 302 HZ1 LYS 33 3HZ LYS 33 4.972 -11.963 8.081 303 HZ2 LYS 33 1HZ LYS 33 5.697 -10.617 8.799 304 HZ3 LYS 33 2HZ LYS 33 4.674 -10.413 7.472 305 H THR 34 H THR 34 -2.131 -10.018 6.205 306 HA THR 34 HA THR 34 -3.421 -11.941 4.369 307 HB THR 34 HB THR 34 -4.996 -12.652 6.058 308 HG1 THR 34 HG1 THR 34 -4.632 -11.897 8.289 309 HG21 THR 34 3HG2 THR 34 -2.191 -12.802 7.182 310 HG22 THR 34 1HG2 THR 34 -2.883 -13.900 5.986 311 HG23 THR 34 2HG2 THR 34 -3.538 -13.851 7.623 312 H GLU 35 H GLU 35 -5.761 -11.535 4.077 313 HA GLU 35 HA GLU 35 -6.470 -8.896 3.515 314 HB2 GLU 35 3HB GLU 35 -8.258 -11.270 4.102 315 HB3 GLU 35 2HB GLU 35 -7.558 -10.873 2.543 316 HG2 GLU 35 3HG GLU 35 -9.528 -9.912 2.123 317 HG3 GLU 35 2HG GLU 35 -8.910 -8.579 3.095 318 H ASP 36 H ASP 36 -6.665 -10.669 6.518 319 HA ASP 36 HA ASP 36 -8.356 -8.795 7.883 320 HB2 ASP 36 3HB ASP 36 -6.416 -10.745 9.147 321 HB3 ASP 36 2HB ASP 36 -7.993 -11.226 8.530 322 H GLU 37 H GLU 37 -4.844 -9.338 7.674 323 HA GLU 37 HA GLU 37 -3.969 -7.302 9.384 324 HB2 GLU 37 3HB GLU 37 -1.875 -7.313 7.974 325 HB3 GLU 37 2HB GLU 37 -2.690 -8.425 6.883 326 HG2 GLU 37 3HG GLU 37 -1.242 -9.652 8.355 327 HG3 GLU 37 2HG GLU 37 -2.922 -10.038 8.725 328 H LEU 38 H LEU 38 -4.604 -7.179 5.879 329 HA LEU 38 HA LEU 38 -3.982 -4.557 5.297 330 HB2 LEU 38 3HB LEU 38 -6.475 -5.901 4.240 331 HB3 LEU 38 2HB LEU 38 -4.883 -6.473 3.800 332 HG LEU 38 HG LEU 38 -5.718 -5.110 2.018 333 HD11 LEU 38 1HD1 LEU 38 -7.377 -3.806 3.228 334 HD12 LEU 38 2HD1 LEU 38 -6.319 -2.764 2.275 335 HD13 LEU 38 3HD1 LEU 38 -6.094 -2.889 4.021 336 HD21 LEU 38 3HD2 LEU 38 -3.978 -3.393 1.859 337 HD22 LEU 38 1HD2 LEU 38 -3.337 -4.924 2.451 338 HD23 LEU 38 2HD2 LEU 38 -3.625 -3.595 3.576 339 H LYS 39 H LYS 39 -7.101 -5.802 6.469 340 HA LYS 39 HA LYS 39 -8.481 -3.432 6.882 341 HB2 LYS 39 3HB LYS 39 -8.498 -6.048 8.383 342 HB3 LYS 39 2HB LYS 39 -9.595 -5.536 7.111 343 HG2 LYS 39 3HG LYS 39 -10.749 -4.067 8.524 344 HG3 LYS 39 2HG LYS 39 -9.461 -4.074 9.733 345 HD2 LYS 39 3HD LYS 39 -11.316 -6.364 9.058 346 HD3 LYS 39 2HD LYS 39 -11.315 -5.401 10.539 347 HE2 LYS 39 3HE LYS 39 -9.007 -6.209 11.006 348 HE3 LYS 39 2HE LYS 39 -9.121 -7.252 9.589 349 HZ1 LYS 39 3HZ LYS 39 -9.634 -8.546 11.483 350 HZ2 LYS 39 1HZ LYS 39 -11.089 -8.291 10.659 351 HZ3 LYS 39 2HZ LYS 39 -10.746 -7.407 12.062 352 H LYS 40 H LYS 40 -6.462 -5.190 9.272 353 HA LYS 40 HA LYS 40 -6.768 -3.464 11.419 354 HB2 LYS 40 3HB LYS 40 -4.445 -5.235 10.648 355 HB3 LYS 40 2HB LYS 40 -5.743 -5.585 11.782 356 HG2 LYS 40 3HG LYS 40 -4.839 -3.671 13.194 357 HG3 LYS 40 2HG LYS 40 -3.423 -3.700 12.143 358 HD2 LYS 40 3HD LYS 40 -4.438 -5.961 13.873 359 HD3 LYS 40 2HD LYS 40 -2.983 -5.002 14.137 360 HE2 LYS 40 3HE LYS 40 -3.471 -6.833 11.785 361 HE3 LYS 40 2HE LYS 40 -2.474 -7.208 13.187 362 HZ1 LYS 40 3HZ LYS 40 -1.144 -6.491 11.309 363 HZ2 LYS 40 1HZ LYS 40 -0.997 -5.403 12.598 364 HZ3 LYS 40 2HZ LYS 40 -1.959 -5.011 11.266 365 H TYR 41 H TYR 41 -4.391 -3.235 8.781 366 HA TYR 41 HA TYR 41 -3.029 -0.981 9.853 367 HB2 TYR 41 3HB TYR 41 -2.242 -0.667 7.452 368 HB3 TYR 41 2HB TYR 41 -3.212 -2.078 7.045 369 HD1 TYR 41 HD1 TYR 41 -0.490 -0.985 9.356 370 HD2 TYR 41 HD2 TYR 41 -2.247 -4.215 7.206 371 HE1 TYR 41 HE1 TYR 41 1.385 -2.434 10.012 372 HE2 TYR 41 HE2 TYR 41 -0.377 -5.672 7.862 373 HH TYR 41 HH TYR 41 1.920 -5.509 8.586 374 H LEU 42 H LEU 42 -5.785 -1.291 7.629 375 HA LEU 42 HA LEU 42 -6.082 1.458 7.064 376 HB2 LEU 42 3HB LEU 42 -8.454 0.872 6.529 377 HB3 LEU 42 2HB LEU 42 -8.154 -0.738 7.157 378 HG LEU 42 HG LEU 42 -6.518 -1.151 5.384 379 HD11 LEU 42 1HD1 LEU 42 -8.873 -1.689 4.984 380 HD12 LEU 42 2HD1 LEU 42 -8.045 -1.232 3.496 381 HD13 LEU 42 3HD1 LEU 42 -9.123 -0.084 4.293 382 HD21 LEU 42 3HD2 LEU 42 -6.233 0.468 3.547 383 HD22 LEU 42 1HD2 LEU 42 -5.647 1.097 5.087 384 HD23 LEU 42 2HD2 LEU 42 -7.197 1.641 4.446 385 H GLU 43 H GLU 43 -7.358 -0.539 9.713 386 HA GLU 43 HA GLU 43 -9.014 1.361 10.934 387 HB2 GLU 43 3HB GLU 43 -8.679 0.042 13.015 388 HB3 GLU 43 2HB GLU 43 -7.366 -0.828 12.232 389 HG2 GLU 43 3HG GLU 43 -8.917 -1.754 10.600 390 HG3 GLU 43 2HG GLU 43 -10.240 -0.836 11.313 391 H GLU 44 H GLU 44 -5.534 0.955 11.050 392 HA GLU 44 HA GLU 44 -4.998 2.902 13.065 393 HB2 GLU 44 3HB GLU 44 -3.262 1.849 10.815 394 HB3 GLU 44 2HB GLU 44 -3.394 1.149 12.420 395 HG2 GLU 44 3HG GLU 44 -2.339 3.914 11.856 396 HG3 GLU 44 2HG GLU 44 -1.334 2.481 12.054 397 H PHE 45 H PHE 45 -5.530 3.047 9.603 398 HA PHE 45 HA PHE 45 -4.417 5.694 9.289 399 HB2 PHE 45 3HB PHE 45 -5.140 5.453 6.927 400 HB3 PHE 45 2HB PHE 45 -5.934 3.940 7.347 401 HD1 PHE 45 HD1 PHE 45 -4.706 2.472 5.957 402 HD2 PHE 45 HD2 PHE 45 -2.651 5.059 8.651 403 HE1 PHE 45 HE1 PHE 45 -2.618 1.242 5.549 404 HE2 PHE 45 HE2 PHE 45 -0.562 3.828 8.239 405 HZ PHE 45 HZ PHE 45 -0.543 1.919 6.686 406 H ARG 46 H ARG 46 -7.649 4.348 9.675 407 HA ARG 46 HA ARG 46 -9.193 6.393 8.590 408 HB2 ARG 46 3HB ARG 46 -11.005 5.655 10.124 409 HB3 ARG 46 2HB ARG 46 -9.835 4.665 10.988 410 HG2 ARG 46 3HG ARG 46 -9.503 3.263 9.080 411 HG3 ARG 46 2HG ARG 46 -10.464 4.337 8.062 412 HD2 ARG 46 3HD ARG 46 -11.543 2.861 10.454 413 HD3 ARG 46 2HD ARG 46 -11.665 2.281 8.798 414 HE ARG 46 HE ARG 46 -12.743 4.790 8.725 415 HH11 ARG 46 1HH1 ARG 46 -13.381 1.949 10.566 416 HH12 ARG 46 2HH1 ARG 46 -15.075 2.275 10.679 417 HH21 ARG 46 2HH2 ARG 46 -15.942 4.075 9.718 418 HH22 ARG 46 1HH2 ARG 46 -14.928 5.196 8.876 419 H LYS 47 H LYS 47 -7.397 6.411 11.551 420 HA LYS 47 HA LYS 47 -8.660 8.284 13.118 421 HB2 LYS 47 3HB LYS 47 -6.376 8.920 13.918 422 HB3 LYS 47 2HB LYS 47 -5.696 7.971 12.603 423 HG2 LYS 47 3HG LYS 47 -6.763 5.953 13.530 424 HG3 LYS 47 2HG LYS 47 -7.378 6.916 14.875 425 HD2 LYS 47 3HD LYS 47 -4.482 6.398 14.190 426 HD3 LYS 47 2HD LYS 47 -5.374 5.757 15.569 427 HE2 LYS 47 3HE LYS 47 -4.734 8.667 15.072 428 HE3 LYS 47 2HE LYS 47 -3.941 7.612 16.240 429 HZ1 LYS 47 3HZ LYS 47 -5.653 9.059 17.225 430 HZ2 LYS 47 1HZ LYS 47 -5.966 7.414 17.465 431 HZ3 LYS 47 2HZ LYS 47 -6.830 8.280 16.300 432 H GLU 48 H GLU 48 -6.856 8.832 10.162 433 HA GLU 48 HA GLU 48 -7.493 11.712 10.320 434 HB2 GLU 48 3HB GLU 48 -5.357 12.135 9.095 435 HB3 GLU 48 2HB GLU 48 -4.958 10.433 9.275 436 HG2 GLU 48 3HG GLU 48 -3.785 11.749 10.923 437 HG3 GLU 48 2HG GLU 48 -4.953 10.690 11.711 438 H SER 49 H SER 49 -9.063 9.648 9.015 439 HA SER 49 HA SER 49 -8.689 9.332 6.290 440 HB2 SER 49 3HB SER 49 -11.212 9.194 6.123 441 HB3 SER 49 2HB SER 49 -11.274 9.649 7.823 442 HG SER 49 HG SER 49 -10.916 7.243 6.798 443 H GLN 50 H GLN 50 -9.357 12.248 7.933 444 HA GLN 50 HA GLN 50 -10.612 13.831 6.037 445 HB2 GLN 50 3HB GLN 50 -9.600 15.739 7.139 446 HB3 GLN 50 2HB GLN 50 -8.349 14.721 7.843 447 HG2 GLN 50 3HG GLN 50 -10.010 13.581 9.205 448 HG3 GLN 50 2HG GLN 50 -11.292 14.542 8.471 449 HE21 GLN 50 2HE2 GLN 50 -10.759 17.352 10.456 450 HE22 GLN 50 1HE2 GLN 50 -11.547 16.674 9.078 451 H ASN 51 H ASN 51 -7.063 13.363 6.413 452 HA ASN 51 HA ASN 51 -6.717 14.362 3.646 453 HB2 ASN 51 3HB ASN 51 -4.904 15.767 4.273 454 HB3 ASN 51 2HB ASN 51 -4.804 15.056 5.880 455 HD21 ASN 51 2HD2 ASN 51 -7.141 17.160 7.310 456 HD22 ASN 51 1HD2 ASN 51 -6.140 15.769 7.476 457 H ILE 52 H ILE 52 -6.610 11.580 4.836 458 HA ILE 52 HA ILE 52 -3.768 10.961 4.368 459 HB ILE 52 HB ILE 52 -4.776 10.168 6.507 460 HG12 ILE 52 3HG1 ILE 52 -2.804 9.071 5.410 461 HG13 ILE 52 2HG1 ILE 52 -3.907 7.911 4.675 462 HG21 ILE 52 1HG2 ILE 52 -6.373 8.323 4.726 463 HG22 ILE 52 2HG2 ILE 52 -7.019 9.654 5.686 464 HG23 ILE 52 3HG2 ILE 52 -6.300 8.258 6.488 465 HD11 ILE 52 3HD1 ILE 52 -3.425 8.302 7.615 466 HD12 ILE 52 1HD1 ILE 52 -2.867 6.959 6.619 467 HD13 ILE 52 2HD1 ILE 52 -4.591 7.178 6.914 468 H LYS 53 H LYS 53 -3.091 9.711 2.733 469 HA LYS 53 HA LYS 53 -5.077 8.303 1.063 470 HB2 LYS 53 3HB LYS 53 -3.978 8.998 -0.952 471 HB3 LYS 53 2HB LYS 53 -2.629 9.690 -0.059 472 HG2 LYS 53 3HG LYS 53 -4.059 11.449 0.804 473 HG3 LYS 53 2HG LYS 53 -5.456 10.750 -0.019 474 HD2 LYS 53 3HD LYS 53 -2.972 11.770 -1.398 475 HD3 LYS 53 2HD LYS 53 -4.465 12.689 -1.212 476 HE2 LYS 53 3HE LYS 53 -5.673 10.966 -2.490 477 HE3 LYS 53 2HE LYS 53 -4.161 10.083 -2.706 478 HZ1 LYS 53 3HZ LYS 53 -4.654 12.847 -3.667 479 HZ2 LYS 53 1HZ LYS 53 -4.730 11.464 -4.634 480 HZ3 LYS 53 2HZ LYS 53 -3.264 11.928 -3.936 481 H VAL 54 H VAL 54 -4.534 6.204 0.618 482 HA VAL 54 HA VAL 54 -1.849 5.313 1.491 483 HB VAL 54 HB VAL 54 -4.425 3.735 1.647 484 HG11 VAL 54 1HG1 VAL 54 -3.110 2.123 2.945 485 HG12 VAL 54 2HG1 VAL 54 -1.658 3.090 2.678 486 HG13 VAL 54 3HG1 VAL 54 -2.465 2.315 1.315 487 HG21 VAL 54 3HG2 VAL 54 -4.190 4.022 4.098 488 HG22 VAL 54 1HG2 VAL 54 -4.462 5.546 3.254 489 HG23 VAL 54 2HG2 VAL 54 -2.844 5.126 3.814 490 H LEU 55 H LEU 55 -0.615 4.434 -0.023 491 HA LEU 55 HA LEU 55 -1.724 3.495 -2.555 492 HB2 LEU 55 3HB LEU 55 1.132 3.740 -1.582 493 HB3 LEU 55 2HB LEU 55 0.280 4.937 -2.541 494 HG LEU 55 HG LEU 55 0.807 2.130 -3.527 495 HD11 LEU 55 1HD1 LEU 55 0.415 3.103 -5.728 496 HD12 LEU 55 2HD1 LEU 55 0.107 4.676 -4.991 497 HD13 LEU 55 3HD1 LEU 55 -0.982 3.324 -4.677 498 HD21 LEU 55 3HD2 LEU 55 2.939 3.218 -3.006 499 HD22 LEU 55 1HD2 LEU 55 2.481 4.594 -4.008 500 HD23 LEU 55 2HD2 LEU 55 2.719 3.009 -4.742 501 H ILE 56 H ILE 56 -2.262 1.386 -2.803 502 HA ILE 56 HA ILE 56 -0.996 -0.609 -1.023 503 HB ILE 56 HB ILE 56 -3.705 -0.794 -2.368 504 HG12 ILE 56 3HG1 ILE 56 -3.672 0.933 -0.606 505 HG13 ILE 56 2HG1 ILE 56 -3.009 -0.232 0.535 506 HG21 ILE 56 1HG2 ILE 56 -2.374 -2.593 -0.330 507 HG22 ILE 56 2HG2 ILE 56 -2.696 -2.980 -2.022 508 HG23 ILE 56 3HG2 ILE 56 -4.036 -2.750 -0.899 509 HD11 ILE 56 3HD1 ILE 56 -5.392 0.118 0.876 510 HD12 ILE 56 1HD1 ILE 56 -5.045 -1.546 0.404 511 HD13 ILE 56 2HD1 ILE 56 -5.710 -0.416 -0.776 512 H LEU 57 H LEU 57 0.428 -1.896 -2.009 513 HA LEU 57 HA LEU 57 0.135 -2.466 -4.889 514 HB2 LEU 57 3HB LEU 57 2.525 -3.344 -4.646 515 HB3 LEU 57 2HB LEU 57 2.523 -2.626 -3.047 516 HG LEU 57 HG LEU 57 3.642 -1.239 -4.794 517 HD11 LEU 57 1HD1 LEU 57 0.859 -0.920 -5.917 518 HD12 LEU 57 2HD1 LEU 57 2.188 -1.796 -6.680 519 HD13 LEU 57 3HD1 LEU 57 2.303 -0.052 -6.442 520 HD21 LEU 57 3HD2 LEU 57 2.803 -0.173 -2.785 521 HD22 LEU 57 1HD2 LEU 57 1.206 -0.002 -3.517 522 HD23 LEU 57 2HD2 LEU 57 2.579 0.886 -4.178 523 H VAL 58 H VAL 58 -0.754 -4.347 -5.412 524 HA VAL 58 HA VAL 58 -0.546 -6.605 -3.511 525 HB VAL 58 HB VAL 58 -2.683 -7.417 -4.322 526 HG11 VAL 58 1HG1 VAL 58 -2.745 -5.838 -2.472 527 HG12 VAL 58 2HG1 VAL 58 -4.160 -5.629 -3.503 528 HG13 VAL 58 3HG1 VAL 58 -2.819 -4.486 -3.602 529 HG21 VAL 58 3HG2 VAL 58 -2.712 -5.003 -6.140 530 HG22 VAL 58 1HG2 VAL 58 -4.040 -6.141 -5.913 531 HG23 VAL 58 2HG2 VAL 58 -2.532 -6.683 -6.644 532 H SER 59 H SER 59 -0.405 -8.748 -4.384 533 HA SER 59 HA SER 59 1.273 -8.893 -6.737 534 HB2 SER 59 3HB SER 59 1.841 -10.222 -4.766 535 HB3 SER 59 2HB SER 59 1.493 -11.290 -6.124 536 HG SER 59 HG SER 59 0.482 -11.787 -3.999 537 H ASN 60 H ASN 60 -1.885 -10.263 -5.775 538 HA ASN 60 HA ASN 60 -2.400 -10.876 -8.624 539 HB2 ASN 60 3HB ASN 60 -3.806 -12.714 -7.939 540 HB3 ASN 60 2HB ASN 60 -3.670 -12.249 -6.246 541 HD21 ASN 60 2HD2 ASN 60 -0.610 -13.813 -5.725 542 HD22 ASN 60 1HD2 ASN 60 -1.811 -12.732 -5.114 543 H ASP 61 H ASP 61 -4.775 -10.921 -9.195 544 HA ASP 61 HA ASP 61 -5.939 -8.398 -8.594 545 HB2 ASP 61 3HB ASP 61 -6.305 -9.218 -10.770 546 HB3 ASP 61 2HB ASP 61 -7.876 -9.308 -9.980 547 H GLU 62 H GLU 62 -6.369 -11.556 -7.190 548 HA GLU 62 HA GLU 62 -8.888 -11.250 -5.989 549 HB2 GLU 62 3HB GLU 62 -6.449 -12.741 -4.980 550 HB3 GLU 62 2HB GLU 62 -7.683 -13.386 -6.051 551 HG2 GLU 62 3HG GLU 62 -8.175 -12.491 -3.213 552 HG3 GLU 62 2HG GLU 62 -7.891 -14.157 -3.712 553 H GLU 63 H GLU 63 -5.666 -10.588 -4.581 554 HA GLU 63 HA GLU 63 -6.659 -9.275 -2.272 555 HB2 GLU 63 3HB GLU 63 -4.503 -9.870 -1.834 556 HB3 GLU 63 2HB GLU 63 -4.201 -8.229 -2.371 557 HG2 GLU 63 3HG GLU 63 -2.604 -9.299 -3.560 558 HG3 GLU 63 2HG GLU 63 -3.927 -9.395 -4.717 559 H LEU 64 H LEU 64 -5.790 -8.104 -5.478 560 HA LEU 64 HA LEU 64 -5.970 -5.344 -5.126 561 HB2 LEU 64 3HB LEU 64 -6.944 -7.067 -7.414 562 HB3 LEU 64 2HB LEU 64 -5.341 -6.385 -7.241 563 HG LEU 64 HG LEU 64 -7.827 -4.693 -7.544 564 HD11 LEU 64 1HD1 LEU 64 -5.935 -3.545 -6.551 565 HD12 LEU 64 2HD1 LEU 64 -6.240 -2.945 -8.180 566 HD13 LEU 64 3HD1 LEU 64 -4.897 -4.053 -7.882 567 HD21 LEU 64 3HD2 LEU 64 -7.209 -4.430 -9.896 568 HD22 LEU 64 1HD2 LEU 64 -7.601 -6.106 -9.514 569 HD23 LEU 64 2HD2 LEU 64 -5.915 -5.614 -9.693 570 H ASP 65 H ASP 65 -8.561 -7.675 -5.779 571 HA ASP 65 HA ASP 65 -10.729 -5.910 -5.779 572 HB2 ASP 65 3HB ASP 65 -10.709 -8.814 -4.913 573 HB3 ASP 65 2HB ASP 65 -10.790 -8.267 -6.584 574 H LYS 66 H LYS 66 -9.590 -8.005 -3.108 575 HA LYS 66 HA LYS 66 -11.410 -7.021 -1.198 576 HB2 LYS 66 3HB LYS 66 -9.831 -8.046 0.483 577 HB3 LYS 66 2HB LYS 66 -8.747 -8.400 -0.855 578 HG2 LYS 66 3HG LYS 66 -10.090 -10.345 -0.226 579 HG3 LYS 66 2HG LYS 66 -10.421 -9.829 -1.881 580 HD2 LYS 66 3HD LYS 66 -12.490 -10.400 -0.717 581 HD3 LYS 66 2HD LYS 66 -12.454 -8.686 -1.126 582 HE2 LYS 66 3HE LYS 66 -11.744 -8.170 1.184 583 HE3 LYS 66 2HE LYS 66 -11.857 -9.884 1.582 584 HZ1 LYS 66 3HZ LYS 66 -14.103 -8.167 0.682 585 HZ2 LYS 66 1HZ LYS 66 -13.830 -8.692 2.265 586 HZ3 LYS 66 2HZ LYS 66 -14.214 -9.812 1.060 587 H ALA 67 H ALA 67 -8.187 -5.875 -2.085 588 HA ALA 67 HA ALA 67 -7.689 -4.209 0.113 589 HB1 ALA 67 3HB ALA 67 -6.848 -3.756 -2.750 590 HB2 ALA 67 1HB ALA 67 -6.002 -4.766 -1.579 591 HB3 ALA 67 2HB ALA 67 -6.120 -3.026 -1.320 592 H LYS 68 H LYS 68 -9.131 -3.300 -3.047 593 HA LYS 68 HA LYS 68 -9.826 -0.668 -2.197 594 HB2 LYS 68 3HB LYS 68 -9.547 -1.435 -4.596 595 HB3 LYS 68 2HB LYS 68 -10.955 -0.431 -4.278 596 HG2 LYS 68 3HG LYS 68 -12.392 -2.395 -4.279 597 HG3 LYS 68 2HG LYS 68 -10.990 -3.439 -4.526 598 HD2 LYS 68 3HD LYS 68 -10.600 -2.549 -6.704 599 HD3 LYS 68 2HD LYS 68 -11.766 -1.247 -6.450 600 HE2 LYS 68 3HE LYS 68 -12.676 -3.010 -7.891 601 HE3 LYS 68 2HE LYS 68 -13.591 -2.850 -6.394 602 HZ1 LYS 68 3HZ LYS 68 -11.513 -4.907 -6.900 603 HZ2 LYS 68 1HZ LYS 68 -13.181 -5.168 -6.994 604 HZ3 LYS 68 2HZ LYS 68 -12.472 -4.774 -5.513 605 H GLU 69 H GLU 69 -11.467 -3.758 -2.109 606 HA GLU 69 HA GLU 69 -14.094 -2.957 -1.589 607 HB2 GLU 69 3HB GLU 69 -12.874 -5.427 -0.383 608 HB3 GLU 69 2HB GLU 69 -12.970 -5.270 -2.127 609 HG2 GLU 69 3HG GLU 69 -14.859 -6.435 -1.689 610 HG3 GLU 69 2HG GLU 69 -15.481 -4.791 -1.698 611 H LEU 70 H LEU 70 -11.538 -3.911 0.734 612 HA LEU 70 HA LEU 70 -12.972 -3.309 3.085 613 HB2 LEU 70 3HB LEU 70 -10.730 -3.259 4.177 614 HB3 LEU 70 2HB LEU 70 -9.990 -3.336 2.589 615 HG LEU 70 HG LEU 70 -10.989 -5.558 2.226 616 HD11 LEU 70 1HD1 LEU 70 -9.433 -5.322 4.804 617 HD12 LEU 70 2HD1 LEU 70 -8.758 -5.425 3.179 618 HD13 LEU 70 3HD1 LEU 70 -9.635 -6.795 3.856 619 HD21 LEU 70 3HD2 LEU 70 -12.037 -5.234 5.042 620 HD22 LEU 70 1HD2 LEU 70 -12.075 -6.727 4.102 621 HD23 LEU 70 2HD2 LEU 70 -12.998 -5.325 3.564 622 H ALA 71 H ALA 71 -10.746 -1.336 1.140 623 HA ALA 71 HA ALA 71 -10.626 0.928 2.787 624 HB1 ALA 71 3HB ALA 71 -9.144 0.589 0.874 625 HB2 ALA 71 1HB ALA 71 -9.955 2.152 0.775 626 HB3 ALA 71 2HB ALA 71 -10.502 0.809 -0.230 627 H GLN 72 H GLN 72 -12.992 0.039 0.299 628 HA GLN 72 HA GLN 72 -14.540 2.426 0.506 629 HB2 GLN 72 3HB GLN 72 -16.321 1.002 -0.630 630 HB3 GLN 72 2HB GLN 72 -15.166 -0.324 -0.578 631 HG2 GLN 72 3HG GLN 72 -13.580 1.055 -1.885 632 HG3 GLN 72 2HG GLN 72 -14.813 2.310 -2.006 633 HE21 GLN 72 2HE2 GLN 72 -14.782 0.075 -5.017 634 HE22 GLN 72 1HE2 GLN 72 -13.530 0.878 -4.137 635 H LYS 73 H LYS 73 -14.632 -0.680 2.182 636 HA LYS 73 HA LYS 73 -17.117 -0.404 3.478 637 HB2 LYS 73 3HB LYS 73 -15.878 -1.879 5.287 638 HB3 LYS 73 2HB LYS 73 -14.617 -1.950 4.067 639 HG2 LYS 73 3HG LYS 73 -16.182 -2.935 2.474 640 HG3 LYS 73 2HG LYS 73 -17.470 -2.837 3.678 641 HD2 LYS 73 3HD LYS 73 -15.924 -4.238 5.181 642 HD3 LYS 73 2HD LYS 73 -15.002 -4.564 3.712 643 HE2 LYS 73 3HE LYS 73 -16.543 -6.371 4.052 644 HE3 LYS 73 2HE LYS 73 -17.084 -5.433 2.661 645 HZ1 LYS 73 3HZ LYS 73 -18.186 -5.241 5.411 646 HZ2 LYS 73 1HZ LYS 73 -18.928 -6.005 4.098 647 HZ3 LYS 73 2HZ LYS 73 -18.700 -4.328 4.088 648 H MET 74 H MET 74 -13.952 0.901 4.262 649 HA MET 74 HA MET 74 -15.081 2.099 6.718 650 HB2 MET 74 3HB MET 74 -12.719 2.117 7.548 651 HB3 MET 74 2HB MET 74 -12.257 1.218 6.111 652 HG2 MET 74 3HG MET 74 -13.756 -0.603 6.770 653 HG3 MET 74 2HG MET 74 -14.214 0.300 8.212 654 HE1 MET 74 3HE MET 74 -10.715 -0.226 6.453 655 HE2 MET 74 1HE MET 74 -11.469 -1.820 6.431 656 HE3 MET 74 2HE MET 74 -10.053 -1.529 7.441 657 H GLU 75 H GLU 75 -14.661 3.044 3.764 658 HA GLU 75 HA GLU 75 -14.215 4.954 2.637 659 HB2 GLU 75 3HB GLU 75 -14.758 7.077 3.856 660 HB3 GLU 75 2HB GLU 75 -14.938 6.126 5.323 661 HG2 GLU 75 3HG GLU 75 -16.821 4.974 4.456 662 HG3 GLU 75 2HG GLU 75 -16.540 5.601 2.831 663 H ILE 76 H ILE 76 -11.903 4.269 2.519 664 HA ILE 76 HA ILE 76 -10.282 6.543 3.478 665 HB ILE 76 HB ILE 76 -9.290 3.685 3.250 666 HG12 ILE 76 3HG1 ILE 76 -10.664 4.048 5.262 667 HG13 ILE 76 2HG1 ILE 76 -9.671 5.436 5.697 668 HG21 ILE 76 1HG2 ILE 76 -7.172 4.574 4.148 669 HG22 ILE 76 2HG2 ILE 76 -7.836 6.207 4.073 670 HG23 ILE 76 3HG2 ILE 76 -7.574 5.291 2.587 671 HD11 ILE 76 3HD1 ILE 76 -7.736 3.980 5.966 672 HD12 ILE 76 1HD1 ILE 76 -8.718 2.586 5.510 673 HD13 ILE 76 2HD1 ILE 76 -9.075 3.470 6.992 674 H ASP 77 H ASP 77 -9.151 7.592 1.917 675 HA ASP 77 HA ASP 77 -9.643 6.891 -0.830 676 HB2 ASP 77 3HB ASP 77 -7.945 9.129 0.311 677 HB3 ASP 77 2HB ASP 77 -9.676 9.234 0.014 678 H VAL 78 H VAL 78 -8.510 5.160 -1.591 679 HA VAL 78 HA VAL 78 -5.605 5.035 -1.040 680 HB VAL 78 HB VAL 78 -5.733 2.612 -1.152 681 HG11 VAL 78 1HG1 VAL 78 -6.104 3.638 1.025 682 HG12 VAL 78 2HG1 VAL 78 -7.064 2.168 0.865 683 HG13 VAL 78 3HG1 VAL 78 -7.834 3.747 0.700 684 HG21 VAL 78 3HG2 VAL 78 -8.700 2.972 -1.623 685 HG22 VAL 78 1HG2 VAL 78 -7.881 1.432 -1.349 686 HG23 VAL 78 2HG2 VAL 78 -7.526 2.375 -2.796 687 H ARG 79 H ARG 79 -4.206 4.256 -2.656 688 HA ARG 79 HA ARG 79 -5.300 3.989 -5.389 689 HB2 ARG 79 3HB ARG 79 -2.731 4.305 -5.965 690 HB3 ARG 79 2HB ARG 79 -2.685 5.076 -4.387 691 HG2 ARG 79 3HG ARG 79 -4.465 5.900 -6.675 692 HG3 ARG 79 2HG ARG 79 -2.955 6.684 -6.216 693 HD2 ARG 79 3HD ARG 79 -3.886 7.279 -4.055 694 HD3 ARG 79 2HD ARG 79 -5.386 6.441 -4.450 695 HE ARG 79 HE ARG 79 -4.590 8.572 -6.254 696 HH11 ARG 79 1HH1 ARG 79 -6.536 7.558 -3.623 697 HH12 ARG 79 2HH1 ARG 79 -7.587 8.922 -3.719 698 HH21 ARG 79 2HH2 ARG 79 -7.313 10.429 -5.326 699 HH22 ARG 79 1HH2 ARG 79 -5.970 10.303 -6.417 700 H THR 80 H THR 80 -5.744 1.799 -5.401 701 HA THR 80 HA THR 80 -3.657 -0.060 -4.521 702 HB THR 80 HB THR 80 -6.436 -0.775 -5.506 703 HG1 THR 80 HG1 THR 80 -5.957 -0.881 -2.795 704 HG21 THR 80 3HG2 THR 80 -4.486 -2.273 -3.735 705 HG22 THR 80 1HG2 THR 80 -4.747 -2.603 -5.447 706 HG23 THR 80 2HG2 THR 80 -6.056 -2.851 -4.292 707 H ARG 81 H ARG 81 -2.239 -0.871 -5.922 708 HA ARG 81 HA ARG 81 -3.043 -1.282 -8.734 709 HB2 ARG 81 3HB ARG 81 -0.590 -0.759 -9.293 710 HB3 ARG 81 2HB ARG 81 -0.481 -0.081 -7.676 711 HG2 ARG 81 3HG ARG 81 -0.872 1.731 -9.143 712 HG3 ARG 81 2HG ARG 81 -2.392 1.443 -8.298 713 HD2 ARG 81 3HD ARG 81 -3.053 1.743 -10.519 714 HD3 ARG 81 2HD ARG 81 -3.024 -0.009 -10.334 715 HE ARG 81 HE ARG 81 -1.177 1.622 -11.898 716 HH11 ARG 81 1HH1 ARG 81 -2.034 -1.522 -10.762 717 HH12 ARG 81 2HH1 ARG 81 -1.076 -2.328 -11.955 718 HH21 ARG 81 2HH2 ARG 81 0.050 -1.175 -13.450 719 HH22 ARG 81 1HH2 ARG 81 0.016 0.555 -13.444 720 H LYS 82 H LYS 82 -2.610 -3.248 -9.571 721 HA LYS 82 HA LYS 82 -1.322 -5.246 -7.904 722 HB2 LYS 82 3HB LYS 82 -2.568 -5.480 -10.657 723 HB3 LYS 82 2HB LYS 82 -3.388 -5.789 -9.132 724 HG2 LYS 82 3HG LYS 82 -1.889 -7.661 -8.682 725 HG3 LYS 82 2HG LYS 82 -1.028 -7.348 -10.191 726 HD2 LYS 82 3HD LYS 82 -3.948 -8.100 -9.961 727 HD3 LYS 82 2HD LYS 82 -2.643 -9.195 -10.418 728 HE2 LYS 82 3HE LYS 82 -2.168 -7.772 -12.382 729 HE3 LYS 82 2HE LYS 82 -3.521 -6.734 -11.935 730 HZ1 LYS 82 3HZ LYS 82 -5.029 -8.564 -12.259 731 HZ2 LYS 82 1HZ LYS 82 -3.748 -9.620 -12.594 732 HZ3 LYS 82 2HZ LYS 82 -4.103 -8.354 -13.654 733 H VAL 83 H VAL 83 0.824 -5.538 -7.949 734 HA VAL 83 HA VAL 83 2.259 -5.333 -10.514 735 HB VAL 83 HB VAL 83 4.174 -4.243 -9.415 736 HG11 VAL 83 1HG1 VAL 83 3.219 -2.005 -9.196 737 HG12 VAL 83 2HG1 VAL 83 1.602 -2.695 -9.061 738 HG13 VAL 83 3HG1 VAL 83 2.507 -2.860 -10.566 739 HG21 VAL 83 3HG2 VAL 83 2.362 -4.057 -7.001 740 HG22 VAL 83 1HG2 VAL 83 3.925 -3.254 -7.168 741 HG23 VAL 83 2HG2 VAL 83 3.836 -5.016 -7.130 742 H THR 84 H THR 84 3.809 -6.860 -10.861 743 HA THR 84 HA THR 84 4.286 -8.836 -8.706 744 HB THR 84 HB THR 84 4.839 -10.455 -10.488 745 HG1 THR 84 HG1 THR 84 4.430 -9.856 -12.674 746 HG21 THR 84 3HG2 THR 84 2.568 -10.747 -11.402 747 HG22 THR 84 1HG2 THR 84 2.151 -9.117 -10.872 748 HG23 THR 84 2HG2 THR 84 2.530 -10.362 -9.682 749 H SER 85 H SER 85 5.797 -6.565 -10.823 750 HA SER 85 HA SER 85 8.477 -7.672 -10.471 751 HB2 SER 85 3HB SER 85 9.190 -5.813 -11.954 752 HB3 SER 85 2HB SER 85 7.539 -5.199 -11.957 753 HG SER 85 HG SER 85 6.871 -7.057 -13.019 754 HA PRO 86 HA PRO 86 9.517 -5.137 -6.920 755 HB2 PRO 86 2HB PRO 86 12.240 -4.954 -7.409 756 HB3 PRO 86 3HB PRO 86 11.454 -6.310 -6.594 757 HG2 PRO 86 3HG PRO 86 12.439 -7.441 -8.373 758 HG3 PRO 86 2HG PRO 86 12.288 -6.046 -9.460 759 HD2 PRO 86 3HD PRO 86 10.194 -8.028 -8.615 760 HD3 PRO 86 2HD PRO 86 10.501 -7.332 -10.222 761 H ASP 87 H ASP 87 10.958 -4.318 -10.074 762 HA ASP 87 HA ASP 87 11.588 -1.648 -9.583 763 HB2 ASP 87 3HB ASP 87 10.755 -2.998 -12.162 764 HB3 ASP 87 2HB ASP 87 12.396 -2.804 -11.554 765 H GLU 88 H GLU 88 8.523 -3.063 -10.713 766 HA GLU 88 HA GLU 88 7.105 -0.683 -11.127 767 HB2 GLU 88 3HB GLU 88 5.054 -2.117 -10.603 768 HB3 GLU 88 2HB GLU 88 6.177 -3.439 -10.319 769 HG2 GLU 88 3HG GLU 88 5.269 -3.577 -12.549 770 HG3 GLU 88 2HG GLU 88 6.995 -3.229 -12.624 771 H ALA 89 H ALA 89 7.154 -2.736 -8.184 772 HA ALA 89 HA ALA 89 5.595 -1.157 -6.528 773 HB1 ALA 89 3HB ALA 89 6.755 -2.199 -4.645 774 HB2 ALA 89 1HB ALA 89 8.034 -2.748 -5.729 775 HB3 ALA 89 2HB ALA 89 6.398 -3.381 -5.904 776 H LYS 90 H LYS 90 9.133 -0.990 -6.919 777 HA LYS 90 HA LYS 90 9.691 1.220 -5.315 778 HB2 LYS 90 3HB LYS 90 11.709 1.474 -6.715 779 HB3 LYS 90 2HB LYS 90 10.999 0.414 -7.927 780 HG2 LYS 90 3HG LYS 90 10.882 -1.334 -6.039 781 HG3 LYS 90 2HG LYS 90 12.009 -0.277 -5.186 782 HD2 LYS 90 3HD LYS 90 12.471 -1.468 -7.928 783 HD3 LYS 90 2HD LYS 90 13.161 -2.074 -6.424 784 HE2 LYS 90 3HE LYS 90 14.355 0.024 -6.098 785 HE3 LYS 90 2HE LYS 90 13.642 0.673 -7.577 786 HZ1 LYS 90 3HZ LYS 90 14.769 -1.024 -8.846 787 HZ2 LYS 90 1HZ LYS 90 15.418 -1.701 -7.439 788 HZ3 LYS 90 2HZ LYS 90 15.893 -0.154 -7.932 789 H ARG 91 H ARG 91 8.757 1.095 -8.715 790 HA ARG 91 HA ARG 91 8.958 3.833 -9.351 791 HB2 ARG 91 3HB ARG 91 7.450 1.486 -10.491 792 HB3 ARG 91 2HB ARG 91 8.870 2.293 -11.135 793 HG2 ARG 91 3HG ARG 91 7.585 4.146 -11.896 794 HG3 ARG 91 2HG ARG 91 6.155 3.590 -11.020 795 HD2 ARG 91 3HD ARG 91 6.123 1.556 -12.433 796 HD3 ARG 91 2HD ARG 91 7.486 2.196 -13.348 797 HE ARG 91 HE ARG 91 5.605 4.156 -13.508 798 HH11 ARG 91 1HH1 ARG 91 5.583 0.771 -14.203 799 HH12 ARG 91 2HH1 ARG 91 4.489 0.948 -15.528 800 HH21 ARG 91 2HH2 ARG 91 3.681 2.955 -16.052 801 HH22 ARG 91 1HH2 ARG 91 4.183 4.355 -15.170 802 H TRP 92 H TRP 92 6.086 1.919 -8.392 803 HA TRP 92 HA TRP 92 4.296 4.106 -8.639 804 HB2 TRP 92 3HB TRP 92 2.698 2.559 -7.406 805 HB3 TRP 92 2HB TRP 92 4.021 1.393 -7.341 806 HD1 TRP 92 HD1 TRP 92 4.367 -0.088 -9.468 807 HE1 TRP 92 HE1 TRP 92 3.372 -0.125 -11.842 808 HE3 TRP 92 HE3 TRP 92 1.668 4.238 -9.261 809 HZ2 TRP 92 HZ2 TRP 92 1.645 1.478 -13.411 810 HZ3 TRP 92 HZ3 TRP 92 0.367 4.915 -11.227 811 HH2 TRP 92 HH2 TRP 92 0.355 3.565 -13.264 812 H ILE 93 H ILE 93 6.071 2.798 -5.852 813 HA ILE 93 HA ILE 93 4.885 4.428 -3.881 814 HB ILE 93 HB ILE 93 7.729 3.399 -4.065 815 HG12 ILE 93 3HG1 ILE 93 5.989 1.662 -3.925 816 HG13 ILE 93 2HG1 ILE 93 5.326 2.433 -2.486 817 HG21 ILE 93 1HG2 ILE 93 7.687 5.352 -2.608 818 HG22 ILE 93 2HG2 ILE 93 7.912 3.884 -1.657 819 HG23 ILE 93 3HG2 ILE 93 6.335 4.673 -1.703 820 HD11 ILE 93 3HD1 ILE 93 8.074 1.231 -2.710 821 HD12 ILE 93 1HD1 ILE 93 6.674 0.487 -1.937 822 HD13 ILE 93 2HD1 ILE 93 7.367 1.963 -1.268 823 H LYS 94 H LYS 94 7.618 5.039 -6.075 824 HA LYS 94 HA LYS 94 8.126 7.686 -5.221 825 HB2 LYS 94 3HB LYS 94 8.583 6.568 -8.000 826 HB3 LYS 94 2HB LYS 94 9.666 6.294 -6.640 827 HG2 LYS 94 3HG LYS 94 10.016 8.718 -6.450 828 HG3 LYS 94 2HG LYS 94 8.963 8.967 -7.841 829 HD2 LYS 94 3HD LYS 94 10.484 7.939 -9.320 830 HD3 LYS 94 2HD LYS 94 11.430 7.257 -7.993 831 HE2 LYS 94 3HE LYS 94 12.493 9.233 -9.097 832 HE3 LYS 94 2HE LYS 94 12.247 9.416 -7.363 833 HZ1 LYS 94 3HZ LYS 94 10.271 10.741 -7.818 834 HZ2 LYS 94 1HZ LYS 94 10.523 10.578 -9.484 835 HZ3 LYS 94 2HZ LYS 94 11.639 11.421 -8.540 836 H GLU 95 H GLU 95 6.091 6.412 -7.859 837 HA GLU 95 HA GLU 95 5.120 8.779 -8.932 838 HB2 GLU 95 3HB GLU 95 3.050 7.417 -9.506 839 HB3 GLU 95 2HB GLU 95 3.765 6.096 -8.591 840 HG2 GLU 95 3HG GLU 95 4.189 5.753 -10.919 841 HG3 GLU 95 2HG GLU 95 5.712 6.138 -10.116 842 H PHE 96 H PHE 96 3.964 6.989 -6.112 843 HA PHE 96 HA PHE 96 1.727 8.623 -5.534 844 HB2 PHE 96 3HB PHE 96 3.355 7.096 -3.495 845 HB3 PHE 96 2HB PHE 96 2.293 6.288 -4.642 846 HD1 PHE 96 HD1 PHE 96 2.472 7.407 -1.389 847 HD2 PHE 96 HD2 PHE 96 -0.154 7.451 -4.746 848 HE1 PHE 96 HE1 PHE 96 0.551 7.708 0.116 849 HE2 PHE 96 HE2 PHE 96 -2.073 7.759 -3.241 850 HZ PHE 96 HZ PHE 96 -1.721 7.884 -0.810 851 H SER 97 H SER 97 5.134 8.826 -4.641 852 HA SER 97 HA SER 97 4.833 11.051 -2.859 853 HB2 SER 97 3HB SER 97 7.309 10.109 -4.332 854 HB3 SER 97 2HB SER 97 6.776 9.522 -2.758 855 HG SER 97 HG SER 97 8.201 11.729 -3.354 856 H GLU 98 H GLU 98 5.580 10.741 -6.324 857 HA GLU 98 HA GLU 98 5.945 13.480 -6.915 858 HB2 GLU 98 3HB GLU 98 5.408 12.917 -9.212 859 HB3 GLU 98 2HB GLU 98 4.593 11.444 -8.711 860 HG2 GLU 98 3HG GLU 98 6.726 10.931 -9.708 861 HG3 GLU 98 2HG GLU 98 6.723 10.487 -8.005 862 H GLU 99 H GLU 99 3.089 11.436 -6.698 863 HA GLU 99 HA GLU 99 1.070 13.236 -7.385 864 HB2 GLU 99 3HB GLU 99 0.607 11.304 -5.143 865 HB3 GLU 99 2HB GLU 99 1.130 10.639 -6.679 866 HG2 GLU 99 3HG GLU 99 -1.253 10.521 -6.545 867 HG3 GLU 99 2HG GLU 99 -0.805 11.694 -7.778 868 H GLY 100 H GLY 100 2.657 12.631 -4.260 869 HA2 GLY 100 3HA GLY 100 2.578 15.342 -3.481 870 HA3 GLY 100 2HA GLY 100 3.010 13.994 -2.447 871 H GLY 101 H GLY 101 0.076 13.071 -3.326 872 HA2 GLY 101 3HA GLY 101 -1.214 14.126 -0.958 873 HA3 GLY 101 2HA GLY 101 -1.891 12.977 -2.102 874 H SER 102 H SER 102 -1.410 14.634 -4.436 875 HA SER 102 HA SER 102 -2.521 17.229 -4.048 876 HB2 SER 102 3HB SER 102 -2.614 17.318 -6.552 877 HB3 SER 102 2HB SER 102 -2.062 15.644 -6.583 878 HG SER 102 HG SER 102 -0.105 16.258 -6.048 879 H LEU 103 H LEU 103 -4.519 16.869 -2.976 880 HA LEU 103 HA LEU 103 -6.743 15.865 -4.546 881 HB2 LEU 103 3HB LEU 103 -8.147 16.847 -2.752 882 HB3 LEU 103 2HB LEU 103 -6.713 17.559 -2.031 883 HG LEU 103 HG LEU 103 -5.823 15.330 -1.548 884 HD11 LEU 103 1HD1 LEU 103 -8.665 15.683 -0.594 885 HD12 LEU 103 2HD1 LEU 103 -7.226 16.405 0.127 886 HD13 LEU 103 3HD1 LEU 103 -7.441 14.655 0.155 887 HD21 LEU 103 3HD2 LEU 103 -6.769 14.105 -3.434 888 HD22 LEU 103 1HD2 LEU 103 -8.389 14.292 -2.760 889 HD23 LEU 103 2HD2 LEU 103 -7.185 13.324 -1.910 890 H GLU 104 H GLU 104 -4.882 18.678 -4.407 891 HA GLU 104 HA GLU 104 -6.791 20.595 -5.337 892 HB2 GLU 104 3HB GLU 104 -4.817 22.009 -5.759 893 HB3 GLU 104 2HB GLU 104 -3.763 20.627 -5.484 894 HG2 GLU 104 3HG GLU 104 -4.548 20.496 -3.162 895 HG3 GLU 104 2HG GLU 104 -5.584 21.894 -3.440 896 H HIS 105 H HIS 105 -6.688 21.635 -7.467 897 HA HIS 105 HA HIS 105 -6.988 21.540 -9.718 898 HB2 HIS 105 3HB HIS 105 -4.752 19.541 -9.965 899 HB3 HIS 105 2HB HIS 105 -4.404 21.181 -9.435 900 HD1 HIS 105 HD1 HIS 105 -4.864 19.195 -12.447 901 HD2 HIS 105 HD2 HIS 105 -5.178 23.193 -11.384 902 HE1 HIS 105 HE1 HIS 105 -4.812 20.470 -14.605 903 HE2 HIS 105 HE2 HIS 105 -4.757 22.883 -13.911 904 H HIS 106 H HIS 106 -5.746 18.232 -9.640 905 HA HIS 106 HA HIS 106 -6.674 16.189 -9.959 906 HB2 HIS 106 3HB HIS 106 -8.874 17.353 -8.242 907 HB3 HIS 106 2HB HIS 106 -7.333 16.761 -7.639 908 HD1 HIS 106 HD1 HIS 106 -6.893 14.115 -8.133 909 HD2 HIS 106 HD2 HIS 106 -10.823 15.445 -8.326 910 HE1 HIS 106 HE1 HIS 106 -8.307 12.060 -7.891 911 HE2 HIS 106 HE2 HIS 106 -10.663 12.928 -7.743 912 H HIS 107 H HIS 107 -9.807 17.907 -9.865 913 HA HIS 107 HA HIS 107 -10.465 16.666 -12.473 914 HB2 HIS 107 3HB HIS 107 -12.010 16.679 -9.884 915 HB3 HIS 107 2HB HIS 107 -11.550 15.305 -10.878 916 HD1 HIS 107 HD1 HIS 107 -14.049 18.113 -10.735 917 HD2 HIS 107 HD2 HIS 107 -13.383 14.579 -12.818 918 HE1 HIS 107 HE1 HIS 107 -16.164 17.681 -12.017 919 HE2 HIS 107 HE2 HIS 107 -15.799 15.453 -13.121 920 H HIS 108 H HIS 108 -10.369 18.495 -13.757 921 HA HIS 108 HA HIS 108 -10.953 20.497 -14.693 922 HB2 HIS 108 3HB HIS 108 -13.428 21.031 -14.563 923 HB3 HIS 108 2HB HIS 108 -13.588 19.660 -13.471 924 HD1 HIS 108 HD1 HIS 108 -13.480 20.534 -17.019 925 HD2 HIS 108 HD2 HIS 108 -12.917 17.114 -14.727 926 HE1 HIS 108 HE1 HIS 108 -13.649 18.613 -18.625 927 HE2 HIS 108 HE2 HIS 108 -13.197 16.568 -17.239 928 H HIS 109 H HIS 109 -10.049 20.517 -11.815 929 HA HIS 109 HA HIS 109 -11.186 23.100 -10.950 930 HB2 HIS 109 3HB HIS 109 -10.006 20.791 -9.380 931 HB3 HIS 109 2HB HIS 109 -11.681 21.313 -9.394 932 HD1 HIS 109 HD1 HIS 109 -12.354 23.199 -7.829 933 HD2 HIS 109 HD2 HIS 109 -8.280 22.392 -7.803 934 HE1 HIS 109 HE1 HIS 109 -11.438 24.421 -5.838 935 HE2 HIS 109 HE2 HIS 109 -9.005 23.788 -5.754 936 H HIS 110 H HIS 110 -9.739 24.737 -10.257 937 HA HIS 110 HA HIS 110 -7.038 24.510 -11.347 938 HB2 HIS 110 3HB HIS 110 -6.911 26.970 -10.757 939 HB3 HIS 110 2HB HIS 110 -8.592 26.859 -10.245 940 HD1 HIS 110 HD1 HIS 110 -7.748 28.711 -12.548 941 HD2 HIS 110 HD2 HIS 110 -9.155 24.836 -13.070 942 HE1 HIS 110 HE1 HIS 110 -8.632 28.627 -14.892 943 HE2 HIS 110 HE2 HIS 110 -9.575 26.314 -15.153 Start of MODEL 19 1 H1 MET 1 1H MET 1 -0.286 16.867 6.109 2 H2 MET 1 2H MET 1 -0.749 17.903 4.858 3 H3 MET 1 3H MET 1 0.701 17.038 4.745 4 HA MET 1 HA MET 1 -2.016 15.846 4.813 5 HB2 MET 1 3HB MET 1 -0.104 15.869 2.470 6 HB3 MET 1 2HB MET 1 -1.271 17.159 2.719 7 HG2 MET 1 3HG MET 1 -1.973 14.250 2.397 8 HG3 MET 1 2HG MET 1 -2.041 15.465 1.118 9 HE1 MET 1 3HE MET 1 -4.557 13.666 1.858 10 HE2 MET 1 1HE MET 1 -4.593 14.926 0.621 11 HE3 MET 1 2HE MET 1 -5.840 14.876 1.866 12 H LEU 2 H LEU 2 -2.060 13.638 5.087 13 HA LEU 2 HA LEU 2 0.491 12.368 5.765 14 HB2 LEU 2 3HB LEU 2 -0.838 10.611 6.806 15 HB3 LEU 2 2HB LEU 2 -2.313 11.314 6.176 16 HG LEU 2 HG LEU 2 -0.580 12.939 8.011 17 HD11 LEU 2 1HD1 LEU 2 -2.732 13.912 8.654 18 HD12 LEU 2 2HD1 LEU 2 -3.553 12.831 7.526 19 HD13 LEU 2 3HD1 LEU 2 -2.431 14.051 6.923 20 HD21 LEU 2 3HD2 LEU 2 -1.785 12.043 9.948 21 HD22 LEU 2 1HD2 LEU 2 -0.813 10.803 9.155 22 HD23 LEU 2 2HD2 LEU 2 -2.559 10.845 8.910 23 H LEU 3 H LEU 3 1.410 10.748 4.611 24 HA LEU 3 HA LEU 3 -0.108 9.555 2.371 25 HB2 LEU 3 3HB LEU 3 1.995 9.634 1.035 26 HB3 LEU 3 2HB LEU 3 2.752 10.541 2.332 27 HG LEU 3 HG LEU 3 1.032 12.345 1.979 28 HD11 LEU 3 1HD1 LEU 3 3.281 12.530 1.036 29 HD12 LEU 3 2HD1 LEU 3 2.081 13.248 -0.036 30 HD13 LEU 3 3HD1 LEU 3 2.756 11.662 -0.407 31 HD21 LEU 3 3HD2 LEU 3 -0.198 12.345 -0.149 32 HD22 LEU 3 1HD2 LEU 3 -0.701 11.034 0.914 33 HD23 LEU 3 2HD2 LEU 3 0.356 10.698 -0.458 34 H TYR 4 H TYR 4 -0.266 7.412 2.699 35 HA TYR 4 HA TYR 4 1.999 5.999 3.971 36 HB2 TYR 4 3HB TYR 4 0.201 4.456 4.953 37 HB3 TYR 4 2HB TYR 4 -0.956 5.711 4.520 38 HD1 TYR 4 HD1 TYR 4 -0.747 7.991 5.585 39 HD2 TYR 4 HD2 TYR 4 1.570 4.663 6.877 40 HE1 TYR 4 HE1 TYR 4 -0.243 9.161 7.689 41 HE2 TYR 4 HE2 TYR 4 2.079 5.824 8.980 42 HH TYR 4 HH TYR 4 2.200 8.170 9.789 43 H VAL 5 H VAL 5 2.415 3.871 3.315 44 HA VAL 5 HA VAL 5 1.048 2.992 0.847 45 HB VAL 5 HB VAL 5 4.031 2.846 1.382 46 HG11 VAL 5 1HG1 VAL 5 4.195 2.029 -0.938 47 HG12 VAL 5 2HG1 VAL 5 2.434 1.995 -1.042 48 HG13 VAL 5 3HG1 VAL 5 3.273 0.932 0.089 49 HG21 VAL 5 3HG2 VAL 5 3.316 5.129 0.870 50 HG22 VAL 5 1HG2 VAL 5 2.499 4.563 -0.586 51 HG23 VAL 5 2HG2 VAL 5 4.256 4.455 -0.461 52 H LEU 6 H LEU 6 0.240 0.994 0.986 53 HA LEU 6 HA LEU 6 1.361 -0.906 2.941 54 HB2 LEU 6 3HB LEU 6 -0.792 -2.111 2.700 55 HB3 LEU 6 2HB LEU 6 -1.337 -0.886 1.570 56 HG LEU 6 HG LEU 6 -1.277 0.805 3.349 57 HD11 LEU 6 1HD1 LEU 6 -3.150 -0.032 4.680 58 HD12 LEU 6 2HD1 LEU 6 -2.814 -1.675 4.136 59 HD13 LEU 6 3HD1 LEU 6 -3.341 -0.452 2.977 60 HD21 LEU 6 3HD2 LEU 6 -0.881 0.143 5.682 61 HD22 LEU 6 1HD2 LEU 6 0.554 -0.092 4.684 62 HD23 LEU 6 2HD2 LEU 6 -0.436 -1.478 5.145 63 H ILE 7 H ILE 7 2.207 -2.834 2.260 64 HA ILE 7 HA ILE 7 2.093 -3.399 -0.642 65 HB ILE 7 HB ILE 7 4.294 -2.584 -0.127 66 HG12 ILE 7 3HG1 ILE 7 4.155 -4.438 -1.736 67 HG13 ILE 7 2HG1 ILE 7 4.327 -5.602 -0.427 68 HG21 ILE 7 1HG2 ILE 7 4.307 -2.992 2.279 69 HG22 ILE 7 2HG2 ILE 7 5.758 -3.642 1.521 70 HG23 ILE 7 3HG2 ILE 7 4.453 -4.728 1.995 71 HD11 ILE 7 3HD1 ILE 7 6.410 -5.347 -1.602 72 HD12 ILE 7 1HD1 ILE 7 6.566 -4.725 0.039 73 HD13 ILE 7 2HD1 ILE 7 6.392 -3.607 -1.313 74 H ILE 8 H ILE 8 1.358 -5.336 -1.213 75 HA ILE 8 HA ILE 8 1.313 -7.531 0.773 76 HB ILE 8 HB ILE 8 -0.682 -7.052 -1.457 77 HG12 ILE 8 3HG1 ILE 8 -0.824 -5.366 0.389 78 HG13 ILE 8 2HG1 ILE 8 -1.070 -6.687 1.527 79 HG21 ILE 8 1HG2 ILE 8 -1.987 -8.834 -0.351 80 HG22 ILE 8 2HG2 ILE 8 -0.658 -9.082 0.783 81 HG23 ILE 8 3HG2 ILE 8 -0.424 -9.410 -0.934 82 HD11 ILE 8 3HD1 ILE 8 -3.136 -7.294 0.396 83 HD12 ILE 8 1HD1 ILE 8 -2.890 -5.983 -0.759 84 HD13 ILE 8 2HD1 ILE 8 -3.165 -5.619 0.944 85 H SER 9 H SER 9 2.964 -8.875 0.165 86 HA SER 9 HA SER 9 2.803 -10.210 -2.381 87 HB2 SER 9 3HB SER 9 5.259 -8.523 -1.816 88 HB3 SER 9 2HB SER 9 4.073 -8.234 -3.087 89 HG SER 9 HG SER 9 5.159 -9.566 -4.282 90 H ASN 10 H ASN 10 4.410 -11.929 -2.625 91 HA ASN 10 HA ASN 10 4.967 -13.203 -0.054 92 HB2 ASN 10 3HB ASN 10 5.105 -14.257 -2.896 93 HB3 ASN 10 2HB ASN 10 3.778 -14.493 -1.769 94 HD21 ASN 10 2HD2 ASN 10 6.152 -16.566 0.283 95 HD22 ASN 10 1HD2 ASN 10 5.469 -15.004 0.526 96 H ASP 11 H ASP 11 6.620 -11.672 -2.688 97 HA ASP 11 HA ASP 11 9.192 -12.903 -2.165 98 HB2 ASP 11 3HB ASP 11 9.988 -11.449 -3.998 99 HB3 ASP 11 2HB ASP 11 8.408 -10.670 -4.050 100 H LYS 12 H LYS 12 10.456 -12.243 -0.546 101 HA LYS 12 HA LYS 12 10.215 -9.732 0.763 102 HB2 LYS 12 3HB LYS 12 12.460 -10.367 1.799 103 HB3 LYS 12 2HB LYS 12 12.381 -11.841 0.842 104 HG2 LYS 12 3HG LYS 12 10.327 -10.991 2.887 105 HG3 LYS 12 2HG LYS 12 11.619 -12.161 3.165 106 HD2 LYS 12 3HD LYS 12 10.701 -13.663 1.527 107 HD3 LYS 12 2HD LYS 12 9.504 -12.465 1.033 108 HE2 LYS 12 3HE LYS 12 8.523 -12.568 3.311 109 HE3 LYS 12 2HE LYS 12 9.654 -13.867 3.697 110 HZ1 LYS 12 3HZ LYS 12 7.690 -13.975 1.475 111 HZ2 LYS 12 1HZ LYS 12 7.435 -14.656 3.005 112 HZ3 LYS 12 2HZ LYS 12 8.680 -15.231 2.017 113 H LYS 13 H LYS 13 12.091 -10.825 -1.966 114 HA LYS 13 HA LYS 13 13.960 -8.764 -2.194 115 HB2 LYS 13 3HB LYS 13 13.965 -9.198 -4.616 116 HB3 LYS 13 2HB LYS 13 12.457 -10.085 -4.477 117 HG2 LYS 13 3HG LYS 13 14.683 -11.076 -2.801 118 HG3 LYS 13 2HG LYS 13 14.892 -11.248 -4.545 119 HD2 LYS 13 3HD LYS 13 12.458 -12.211 -3.032 120 HD3 LYS 13 2HD LYS 13 13.841 -13.231 -3.430 121 HE2 LYS 13 3HE LYS 13 13.461 -12.751 -5.832 122 HE3 LYS 13 2HE LYS 13 12.024 -11.828 -5.398 123 HZ1 LYS 13 3HZ LYS 13 10.953 -13.769 -4.620 124 HZ2 LYS 13 1HZ LYS 13 12.374 -14.686 -4.690 125 HZ3 LYS 13 2HZ LYS 13 11.629 -14.176 -6.115 126 H LEU 14 H LEU 14 10.596 -8.901 -3.293 127 HA LEU 14 HA LEU 14 10.586 -6.270 -4.411 128 HB2 LEU 14 3HB LEU 14 8.223 -7.979 -3.599 129 HB3 LEU 14 2HB LEU 14 9.114 -8.202 -5.088 130 HG LEU 14 HG LEU 14 8.461 -5.692 -5.542 131 HD11 LEU 14 1HD1 LEU 14 6.432 -6.443 -6.668 132 HD12 LEU 14 2HD1 LEU 14 6.437 -7.928 -5.714 133 HD13 LEU 14 3HD1 LEU 14 7.732 -7.619 -6.871 134 HD21 LEU 14 3HD2 LEU 14 6.296 -6.536 -3.606 135 HD22 LEU 14 1HD2 LEU 14 6.291 -5.077 -4.602 136 HD23 LEU 14 2HD2 LEU 14 7.491 -5.269 -3.326 137 H ILE 15 H ILE 15 9.707 -7.665 -1.298 138 HA ILE 15 HA ILE 15 8.347 -5.435 -0.217 139 HB ILE 15 HB ILE 15 9.822 -7.670 1.186 140 HG12 ILE 15 3HG1 ILE 15 7.924 -8.396 -0.223 141 HG13 ILE 15 2HG1 ILE 15 6.866 -7.268 0.618 142 HG21 ILE 15 1HG2 ILE 15 7.894 -5.649 2.341 143 HG22 ILE 15 2HG2 ILE 15 9.621 -5.759 2.684 144 HG23 ILE 15 3HG2 ILE 15 8.537 -7.054 3.191 145 HD11 ILE 15 3HD1 ILE 15 6.543 -9.519 1.429 146 HD12 ILE 15 1HD1 ILE 15 7.214 -8.498 2.700 147 HD13 ILE 15 2HD1 ILE 15 8.253 -9.639 1.844 148 H GLU 16 H GLU 16 11.745 -6.493 0.304 149 HA GLU 16 HA GLU 16 12.408 -4.340 2.009 150 HB2 GLU 16 3HB GLU 16 14.750 -5.008 1.655 151 HB3 GLU 16 2HB GLU 16 14.255 -6.031 0.315 152 HG2 GLU 16 3HG GLU 16 14.682 -7.279 2.403 153 HG3 GLU 16 2HG GLU 16 13.048 -7.492 1.778 154 H GLU 17 H GLU 17 12.932 -4.772 -1.502 155 HA GLU 17 HA GLU 17 14.256 -2.346 -1.974 156 HB2 GLU 17 3HB GLU 17 13.364 -2.566 -4.322 157 HB3 GLU 17 2HB GLU 17 12.432 -3.951 -3.774 158 HG2 GLU 17 3HG GLU 17 14.495 -4.617 -4.903 159 HG3 GLU 17 2HG GLU 17 14.462 -5.148 -3.224 160 H ALA 18 H ALA 18 10.790 -3.066 -1.829 161 HA ALA 18 HA ALA 18 9.827 -0.507 -2.506 162 HB1 ALA 18 3HB ALA 18 8.400 -2.501 -2.409 163 HB2 ALA 18 1HB ALA 18 7.745 -1.191 -1.427 164 HB3 ALA 18 2HB ALA 18 8.575 -2.544 -0.655 165 H ARG 19 H ARG 19 10.632 -1.915 0.672 166 HA ARG 19 HA ARG 19 10.064 0.245 2.333 167 HB2 ARG 19 3HB ARG 19 11.975 -0.638 3.763 168 HB3 ARG 19 2HB ARG 19 12.292 -1.797 2.480 169 HG2 ARG 19 3HG ARG 19 10.037 -2.730 2.776 170 HG3 ARG 19 2HG ARG 19 9.757 -1.594 4.100 171 HD2 ARG 19 3HD ARG 19 11.877 -2.581 5.156 172 HD3 ARG 19 2HD ARG 19 11.722 -3.876 3.970 173 HE ARG 19 HE ARG 19 9.297 -3.513 5.387 174 HH11 ARG 19 1HH1 ARG 19 12.440 -4.916 5.649 175 HH12 ARG 19 2HH1 ARG 19 11.959 -5.992 6.912 176 HH21 ARG 19 2HH2 ARG 19 9.877 -5.985 7.675 177 HH22 ARG 19 1HH2 ARG 19 8.706 -4.898 7.007 178 H LYS 20 H LYS 20 13.087 -0.452 0.601 179 HA LYS 20 HA LYS 20 14.613 1.722 1.395 180 HB2 LYS 20 3HB LYS 20 15.828 1.394 -0.781 181 HB3 LYS 20 2HB LYS 20 14.570 0.264 -1.257 182 HG2 LYS 20 3HG LYS 20 15.157 -1.058 0.834 183 HG3 LYS 20 2HG LYS 20 16.587 -0.033 0.961 184 HD2 LYS 20 3HD LYS 20 15.861 -1.879 -1.317 185 HD3 LYS 20 2HD LYS 20 17.187 -2.074 -0.172 186 HE2 LYS 20 3HE LYS 20 18.281 -0.091 -1.052 187 HE3 LYS 20 2HE LYS 20 16.937 0.182 -2.162 188 HZ1 LYS 20 3HZ LYS 20 18.883 -2.048 -2.201 189 HZ2 LYS 20 1HZ LYS 20 18.625 -0.874 -3.387 190 HZ3 LYS 20 2HZ LYS 20 17.455 -2.062 -3.108 191 H MET 21 H MET 21 12.431 1.509 -1.432 192 HA MET 21 HA MET 21 12.910 4.186 -2.275 193 HB2 MET 21 3HB MET 21 10.685 3.752 -3.585 194 HB3 MET 21 2HB MET 21 10.901 2.097 -3.018 195 HG2 MET 21 3HG MET 21 11.842 2.425 -5.241 196 HG3 MET 21 2HG MET 21 13.087 2.001 -4.067 197 HE1 MET 21 3HE MET 21 11.362 5.536 -4.430 198 HE2 MET 21 1HE MET 21 11.415 4.925 -6.082 199 HE3 MET 21 2HE MET 21 12.418 6.300 -5.620 200 H ALA 22 H ALA 22 10.498 2.759 -0.138 201 HA ALA 22 HA ALA 22 8.762 4.925 0.140 202 HB1 ALA 22 3HB ALA 22 9.679 3.005 2.290 203 HB2 ALA 22 1HB ALA 22 8.333 2.752 1.178 204 HB3 ALA 22 2HB ALA 22 8.256 4.043 2.377 205 H GLU 23 H GLU 23 11.832 4.247 1.788 206 HA GLU 23 HA GLU 23 11.909 6.607 3.353 207 HB2 GLU 23 3HB GLU 23 14.267 6.104 3.683 208 HB3 GLU 23 2HB GLU 23 14.252 4.996 2.316 209 HG2 GLU 23 3HG GLU 23 12.765 3.499 3.493 210 HG3 GLU 23 2HG GLU 23 12.646 4.629 4.839 211 H LYS 24 H LYS 24 13.160 5.849 0.113 212 HA LYS 24 HA LYS 24 14.498 8.302 -0.340 213 HB2 LYS 24 3HB LYS 24 14.430 7.693 -2.726 214 HB3 LYS 24 2HB LYS 24 13.246 6.443 -2.378 215 HG2 LYS 24 3HG LYS 24 15.391 5.426 -2.675 216 HG3 LYS 24 2HG LYS 24 14.914 5.279 -0.986 217 HD2 LYS 24 3HD LYS 24 17.223 5.850 -1.009 218 HD3 LYS 24 2HD LYS 24 16.342 7.285 -0.489 219 HE2 LYS 24 3HE LYS 24 17.180 6.860 -3.351 220 HE3 LYS 24 2HE LYS 24 18.223 7.637 -2.165 221 HZ1 LYS 24 3HZ LYS 24 16.413 9.269 -1.793 222 HZ2 LYS 24 1HZ LYS 24 15.575 8.593 -3.100 223 HZ3 LYS 24 2HZ LYS 24 17.081 9.320 -3.342 224 H ALA 25 H ALA 25 11.139 7.394 -0.581 225 HA ALA 25 HA ALA 25 10.419 9.900 -1.918 226 HB1 ALA 25 3HB ALA 25 8.185 8.952 -2.099 227 HB2 ALA 25 1HB ALA 25 8.670 7.576 -1.104 228 HB3 ALA 25 2HB ALA 25 9.391 7.811 -2.697 229 H ASN 26 H ASN 26 10.965 8.952 1.203 230 HA ASN 26 HA ASN 26 10.518 9.829 3.252 231 HB2 ASN 26 3HB ASN 26 9.654 12.136 3.404 232 HB3 ASN 26 2HB ASN 26 9.246 12.097 1.692 233 HD21 ASN 26 2HD2 ASN 26 12.481 12.728 0.581 234 HD22 ASN 26 1HD2 ASN 26 10.873 12.255 0.173 235 H LEU 27 H LEU 27 8.655 7.973 2.080 236 HA LEU 27 HA LEU 27 6.108 8.800 3.338 237 HB2 LEU 27 3HB LEU 27 4.980 7.261 1.836 238 HB3 LEU 27 2HB LEU 27 6.514 6.688 1.210 239 HG LEU 27 HG LEU 27 6.931 8.865 0.171 240 HD11 LEU 27 1HD1 LEU 27 4.193 7.779 -0.500 241 HD12 LEU 27 2HD1 LEU 27 5.730 7.166 -1.112 242 HD13 LEU 27 3HD1 LEU 27 5.195 8.790 -1.545 243 HD21 LEU 27 3HD2 LEU 27 4.238 9.650 1.292 244 HD22 LEU 27 1HD2 LEU 27 5.193 10.598 0.150 245 HD23 LEU 27 2HD2 LEU 27 5.804 10.303 1.777 246 H GLU 28 H GLU 28 4.911 7.191 4.530 247 HA GLU 28 HA GLU 28 6.601 5.252 5.901 248 HB2 GLU 28 3HB GLU 28 4.500 4.857 7.277 249 HB3 GLU 28 2HB GLU 28 3.748 6.144 6.349 250 HG2 GLU 28 3HG GLU 28 6.233 6.477 8.019 251 HG3 GLU 28 2HG GLU 28 4.600 6.849 8.567 252 H LEU 29 H LEU 29 6.771 3.185 5.255 253 HA LEU 29 HA LEU 29 4.560 1.999 3.701 254 HB2 LEU 29 3HB LEU 29 7.487 1.239 3.758 255 HB3 LEU 29 2HB LEU 29 6.691 2.167 2.504 256 HG LEU 29 HG LEU 29 5.178 -0.028 2.330 257 HD11 LEU 29 1HD1 LEU 29 6.488 0.947 0.515 258 HD12 LEU 29 2HD1 LEU 29 6.638 -0.810 0.538 259 HD13 LEU 29 3HD1 LEU 29 7.950 0.196 1.156 260 HD21 LEU 29 3HD2 LEU 29 6.525 -2.055 2.650 261 HD22 LEU 29 1HD2 LEU 29 6.259 -1.218 4.177 262 HD23 LEU 29 2HD2 LEU 29 7.818 -1.090 3.362 263 H ARG 30 H ARG 30 3.597 0.133 4.343 264 HA ARG 30 HA ARG 30 4.723 -1.363 6.620 265 HB2 ARG 30 3HB ARG 30 2.378 -1.614 7.520 266 HB3 ARG 30 2HB ARG 30 1.863 -0.406 6.351 267 HG2 ARG 30 3HG ARG 30 2.142 0.700 8.434 268 HG3 ARG 30 2HG ARG 30 3.484 1.194 7.399 269 HD2 ARG 30 3HD ARG 30 4.857 -0.620 8.515 270 HD3 ARG 30 2HD ARG 30 3.537 -0.788 9.674 271 HE ARG 30 HE ARG 30 4.874 1.803 9.286 272 HH11 ARG 30 1HH1 ARG 30 3.869 -0.762 11.367 273 HH12 ARG 30 2HH1 ARG 30 4.463 0.026 12.784 274 HH21 ARG 30 2HH2 ARG 30 5.483 1.980 12.638 275 HH22 ARG 30 1HH2 ARG 30 5.648 2.772 11.110 276 H THR 31 H THR 31 4.460 -3.574 6.525 277 HA THR 31 HA THR 31 3.649 -4.635 3.932 278 HB THR 31 HB THR 31 4.658 -6.769 4.695 279 HG1 THR 31 HG1 THR 31 5.647 -6.888 6.698 280 HG21 THR 31 3HG2 THR 31 6.421 -4.338 5.062 281 HG22 THR 31 1HG2 THR 31 6.060 -5.145 3.535 282 HG23 THR 31 2HG2 THR 31 6.993 -5.981 4.776 283 H VAL 32 H VAL 32 2.128 -6.217 3.572 284 HA VAL 32 HA VAL 32 0.412 -7.065 5.819 285 HB VAL 32 HB VAL 32 -0.595 -6.085 3.132 286 HG11 VAL 32 1HG1 VAL 32 -1.961 -7.903 3.994 287 HG12 VAL 32 2HG1 VAL 32 -2.839 -6.377 4.086 288 HG13 VAL 32 3HG1 VAL 32 -2.125 -7.070 5.542 289 HG21 VAL 32 3HG2 VAL 32 -1.616 -4.239 4.355 290 HG22 VAL 32 1HG2 VAL 32 0.134 -4.233 4.563 291 HG23 VAL 32 2HG2 VAL 32 -0.906 -4.824 5.858 292 H LYS 33 H LYS 33 -0.136 -9.219 5.754 293 HA LYS 33 HA LYS 33 0.480 -10.699 3.268 294 HB2 LYS 33 3HB LYS 33 0.820 -12.688 4.638 295 HB3 LYS 33 2HB LYS 33 0.362 -11.801 6.085 296 HG2 LYS 33 3HG LYS 33 2.334 -10.384 5.866 297 HG3 LYS 33 2HG LYS 33 2.785 -11.225 4.379 298 HD2 LYS 33 3HD LYS 33 3.137 -13.284 5.569 299 HD3 LYS 33 2HD LYS 33 2.476 -12.597 7.054 300 HE2 LYS 33 3HE LYS 33 4.352 -11.003 7.139 301 HE3 LYS 33 2HE LYS 33 5.024 -11.735 5.680 302 HZ1 LYS 33 3HZ LYS 33 5.955 -12.520 7.882 303 HZ2 LYS 33 1HZ LYS 33 5.460 -13.728 6.805 304 HZ3 LYS 33 2HZ LYS 33 4.486 -13.315 8.124 305 H THR 34 H THR 34 -1.910 -10.343 5.877 306 HA THR 34 HA THR 34 -3.792 -12.011 4.309 307 HB THR 34 HB THR 34 -4.887 -12.689 6.317 308 HG1 THR 34 HG1 THR 34 -3.702 -11.770 8.369 309 HG21 THR 34 3HG2 THR 34 -1.909 -12.748 6.848 310 HG22 THR 34 1HG2 THR 34 -2.791 -13.890 5.833 311 HG23 THR 34 2HG2 THR 34 -3.116 -13.817 7.564 312 H GLU 35 H GLU 35 -6.086 -11.517 4.595 313 HA GLU 35 HA GLU 35 -6.932 -8.940 4.080 314 HB2 GLU 35 3HB GLU 35 -8.331 -11.320 5.296 315 HB3 GLU 35 2HB GLU 35 -8.407 -10.747 3.636 316 HG2 GLU 35 3HG GLU 35 -9.744 -8.863 4.273 317 HG3 GLU 35 2HG GLU 35 -9.530 -9.226 5.985 318 H ASP 36 H ASP 36 -6.927 -10.598 7.238 319 HA ASP 36 HA ASP 36 -8.197 -8.594 8.711 320 HB2 ASP 36 3HB ASP 36 -6.102 -10.441 9.866 321 HB3 ASP 36 2HB ASP 36 -7.696 -11.019 9.387 322 H GLU 37 H GLU 37 -4.719 -9.136 8.146 323 HA GLU 37 HA GLU 37 -3.732 -7.035 9.730 324 HB2 GLU 37 3HB GLU 37 -1.713 -7.132 8.294 325 HB3 GLU 37 2HB GLU 37 -2.582 -8.162 7.163 326 HG2 GLU 37 3HG GLU 37 -2.746 -9.917 8.787 327 HG3 GLU 37 2HG GLU 37 -2.071 -8.879 10.042 328 H LEU 38 H LEU 38 -4.640 -7.066 6.287 329 HA LEU 38 HA LEU 38 -4.066 -4.438 5.608 330 HB2 LEU 38 3HB LEU 38 -6.567 -5.828 4.649 331 HB3 LEU 38 2HB LEU 38 -4.988 -6.426 4.194 332 HG LEU 38 HG LEU 38 -5.819 -5.104 2.387 333 HD11 LEU 38 1HD1 LEU 38 -7.485 -3.792 3.602 334 HD12 LEU 38 2HD1 LEU 38 -6.468 -2.775 2.583 335 HD13 LEU 38 3HD1 LEU 38 -6.198 -2.825 4.326 336 HD21 LEU 38 3HD2 LEU 38 -4.099 -3.375 2.184 337 HD22 LEU 38 1HD2 LEU 38 -3.437 -4.877 2.831 338 HD23 LEU 38 2HD2 LEU 38 -3.750 -3.514 3.907 339 H LYS 39 H LYS 39 -7.104 -5.734 6.960 340 HA LYS 39 HA LYS 39 -8.473 -3.309 7.274 341 HB2 LYS 39 3HB LYS 39 -8.659 -5.848 8.915 342 HB3 LYS 39 2HB LYS 39 -9.570 -5.484 7.455 343 HG2 LYS 39 3HG LYS 39 -10.718 -3.660 8.604 344 HG3 LYS 39 2HG LYS 39 -9.778 -3.978 10.064 345 HD2 LYS 39 3HD LYS 39 -11.988 -4.970 10.259 346 HD3 LYS 39 2HD LYS 39 -10.758 -6.235 10.195 347 HE2 LYS 39 3HE LYS 39 -11.241 -6.531 7.779 348 HE3 LYS 39 2HE LYS 39 -12.523 -5.328 7.916 349 HZ1 LYS 39 3HZ LYS 39 -13.615 -6.767 9.546 350 HZ2 LYS 39 1HZ LYS 39 -12.414 -7.936 9.327 351 HZ3 LYS 39 2HZ LYS 39 -13.438 -7.532 8.046 352 H LYS 40 H LYS 40 -6.190 -4.943 9.453 353 HA LYS 40 HA LYS 40 -6.471 -3.375 11.736 354 HB2 LYS 40 3HB LYS 40 -4.125 -4.863 10.568 355 HB3 LYS 40 2HB LYS 40 -5.138 -5.309 11.928 356 HG2 LYS 40 3HG LYS 40 -3.295 -4.673 13.088 357 HG3 LYS 40 2HG LYS 40 -4.068 -3.093 12.966 358 HD2 LYS 40 3HD LYS 40 -2.692 -2.558 11.006 359 HD3 LYS 40 2HD LYS 40 -1.932 -4.145 11.095 360 HE2 LYS 40 3HE LYS 40 -0.426 -2.578 12.072 361 HE3 LYS 40 2HE LYS 40 -1.107 -3.541 13.380 362 HZ1 LYS 40 3HZ LYS 40 -1.922 -0.783 12.623 363 HZ2 LYS 40 1HZ LYS 40 -1.054 -1.239 13.999 364 HZ3 LYS 40 2HZ LYS 40 -2.663 -1.714 13.831 365 H TYR 41 H TYR 41 -4.333 -2.813 8.939 366 HA TYR 41 HA TYR 41 -3.289 -0.353 9.908 367 HB2 TYR 41 3HB TYR 41 -2.560 0.002 7.545 368 HB3 TYR 41 2HB TYR 41 -3.471 -1.434 7.087 369 HD1 TYR 41 HD1 TYR 41 -0.669 -0.278 9.255 370 HD2 TYR 41 HD2 TYR 41 -2.494 -3.566 7.260 371 HE1 TYR 41 HE1 TYR 41 1.275 -1.683 9.797 372 HE2 TYR 41 HE2 TYR 41 -0.554 -4.976 7.796 373 HH TYR 41 HH TYR 41 1.797 -4.737 8.359 374 H LEU 42 H LEU 42 -6.016 -1.136 7.766 375 HA LEU 42 HA LEU 42 -6.764 1.458 7.066 376 HB2 LEU 42 3HB LEU 42 -9.052 0.534 6.757 377 HB3 LEU 42 2HB LEU 42 -8.537 -0.940 7.557 378 HG LEU 42 HG LEU 42 -6.968 -1.414 5.756 379 HD11 LEU 42 1HD1 LEU 42 -9.245 -2.225 5.513 380 HD12 LEU 42 2HD1 LEU 42 -8.560 -1.811 3.943 381 HD13 LEU 42 3HD1 LEU 42 -9.714 -0.723 4.715 382 HD21 LEU 42 3HD2 LEU 42 -6.843 -0.023 3.755 383 HD22 LEU 42 1HD2 LEU 42 -6.351 0.888 5.184 384 HD23 LEU 42 2HD2 LEU 42 -7.949 1.145 4.481 385 H GLU 43 H GLU 43 -7.721 -0.429 9.949 386 HA GLU 43 HA GLU 43 -9.323 1.563 11.140 387 HB2 GLU 43 3HB GLU 43 -8.308 0.291 13.321 388 HB3 GLU 43 2HB GLU 43 -7.954 -0.896 12.073 389 HG2 GLU 43 3HG GLU 43 -10.046 -1.484 12.984 390 HG3 GLU 43 2HG GLU 43 -10.380 -0.768 11.407 391 H GLU 44 H GLU 44 -5.844 0.956 11.344 392 HA GLU 44 HA GLU 44 -5.268 3.025 13.205 393 HB2 GLU 44 3HB GLU 44 -3.472 1.714 11.145 394 HB3 GLU 44 2HB GLU 44 -3.770 1.113 12.768 395 HG2 GLU 44 3HG GLU 44 -2.805 3.284 13.627 396 HG3 GLU 44 2HG GLU 44 -2.287 3.607 11.972 397 H PHE 45 H PHE 45 -5.889 3.034 9.798 398 HA PHE 45 HA PHE 45 -4.770 5.693 9.405 399 HB2 PHE 45 3HB PHE 45 -5.560 5.423 7.057 400 HB3 PHE 45 2HB PHE 45 -6.238 3.860 7.500 401 HD1 PHE 45 HD1 PHE 45 -4.916 2.696 5.831 402 HD2 PHE 45 HD2 PHE 45 -3.034 4.969 8.910 403 HE1 PHE 45 HE1 PHE 45 -2.770 1.611 5.324 404 HE2 PHE 45 HE2 PHE 45 -0.890 3.879 8.403 405 HZ PHE 45 HZ PHE 45 -0.754 2.200 6.608 406 H ARG 46 H ARG 46 -7.982 4.235 9.787 407 HA ARG 46 HA ARG 46 -9.535 6.297 8.727 408 HB2 ARG 46 3HB ARG 46 -11.342 5.503 10.368 409 HB3 ARG 46 2HB ARG 46 -10.162 4.320 10.916 410 HG2 ARG 46 3HG ARG 46 -10.206 3.146 8.918 411 HG3 ARG 46 2HG ARG 46 -10.809 4.526 8.002 412 HD2 ARG 46 3HD ARG 46 -12.549 2.852 8.236 413 HD3 ARG 46 2HD ARG 46 -12.989 4.315 9.114 414 HE ARG 46 HE ARG 46 -11.749 2.623 10.924 415 HH11 ARG 46 1HH1 ARG 46 -14.598 2.608 8.974 416 HH12 ARG 46 2HH1 ARG 46 -15.473 1.611 10.080 417 HH21 ARG 46 2HH2 ARG 46 -14.556 0.945 11.963 418 HH22 ARG 46 1HH2 ARG 46 -12.920 1.370 12.343 419 H LYS 47 H LYS 47 -8.019 6.116 11.896 420 HA LYS 47 HA LYS 47 -9.314 8.281 13.117 421 HB2 LYS 47 3HB LYS 47 -7.885 6.858 14.423 422 HB3 LYS 47 2HB LYS 47 -7.254 8.498 14.504 423 HG2 LYS 47 3HG LYS 47 -5.640 7.818 12.657 424 HG3 LYS 47 2HG LYS 47 -6.156 6.158 12.959 425 HD2 LYS 47 3HD LYS 47 -4.128 6.600 14.205 426 HD3 LYS 47 2HD LYS 47 -5.472 6.413 15.334 427 HE2 LYS 47 3HE LYS 47 -5.674 8.870 15.461 428 HE3 LYS 47 2HE LYS 47 -4.284 9.024 14.390 429 HZ1 LYS 47 3HZ LYS 47 -3.701 9.288 16.727 430 HZ2 LYS 47 1HZ LYS 47 -2.908 7.963 16.031 431 HZ3 LYS 47 2HZ LYS 47 -4.237 7.714 17.049 432 H GLU 48 H GLU 48 -6.686 8.207 10.784 433 HA GLU 48 HA GLU 48 -6.431 11.141 10.859 434 HB2 GLU 48 3HB GLU 48 -4.357 10.803 9.598 435 HB3 GLU 48 2HB GLU 48 -4.694 9.082 9.468 436 HG2 GLU 48 3HG GLU 48 -3.050 9.402 11.170 437 HG3 GLU 48 2HG GLU 48 -4.558 8.913 11.937 438 H SER 49 H SER 49 -8.602 9.423 9.517 439 HA SER 49 HA SER 49 -8.335 9.415 6.736 440 HB2 SER 49 3HB SER 49 -10.856 9.673 8.392 441 HB3 SER 49 2HB SER 49 -10.097 8.170 7.872 442 HG SER 49 HG SER 49 -11.219 10.165 6.176 443 H GLN 50 H GLN 50 -8.558 12.135 8.706 444 HA GLN 50 HA GLN 50 -10.166 13.833 7.101 445 HB2 GLN 50 3HB GLN 50 -9.218 15.660 8.488 446 HB3 GLN 50 2HB GLN 50 -8.081 14.513 9.187 447 HG2 GLN 50 3HG GLN 50 -9.950 13.218 10.098 448 HG3 GLN 50 2HG GLN 50 -11.085 14.365 9.398 449 HE21 GLN 50 2HE2 GLN 50 -10.666 16.786 11.883 450 HE22 GLN 50 1HE2 GLN 50 -11.256 16.433 10.298 451 H ASN 51 H ASN 51 -6.712 13.078 7.041 452 HA ASN 51 HA ASN 51 -6.432 14.701 4.601 453 HB2 ASN 51 3HB ASN 51 -4.346 15.735 5.390 454 HB3 ASN 51 2HB ASN 51 -4.533 14.949 6.951 455 HD21 ASN 51 2HD2 ASN 51 -6.767 17.271 8.215 456 HD22 ASN 51 1HD2 ASN 51 -5.991 15.746 8.418 457 H ILE 52 H ILE 52 -6.427 11.768 5.083 458 HA ILE 52 HA ILE 52 -3.592 11.121 4.599 459 HB ILE 52 HB ILE 52 -4.694 9.983 6.517 460 HG12 ILE 52 3HG1 ILE 52 -2.742 8.993 5.331 461 HG13 ILE 52 2HG1 ILE 52 -3.847 8.105 4.289 462 HG21 ILE 52 1HG2 ILE 52 -6.317 8.585 4.389 463 HG22 ILE 52 2HG2 ILE 52 -6.936 9.754 5.555 464 HG23 ILE 52 3HG2 ILE 52 -6.311 8.201 6.111 465 HD11 ILE 52 3HD1 ILE 52 -3.598 7.786 7.269 466 HD12 ILE 52 1HD1 ILE 52 -2.965 6.689 6.044 467 HD13 ILE 52 2HD1 ILE 52 -4.707 6.895 6.225 468 H LYS 53 H LYS 53 -2.900 10.067 2.824 469 HA LYS 53 HA LYS 53 -4.861 9.060 0.853 470 HB2 LYS 53 3HB LYS 53 -3.465 9.844 -0.964 471 HB3 LYS 53 2HB LYS 53 -2.202 10.335 0.151 472 HG2 LYS 53 3HG LYS 53 -3.663 12.079 1.050 473 HG3 LYS 53 2HG LYS 53 -4.928 11.599 -0.087 474 HD2 LYS 53 3HD LYS 53 -2.192 12.667 -0.808 475 HD3 LYS 53 2HD LYS 53 -3.709 13.561 -0.898 476 HE2 LYS 53 3HE LYS 53 -4.541 12.019 -2.597 477 HE3 LYS 53 2HE LYS 53 -3.050 11.084 -2.495 478 HZ1 LYS 53 3HZ LYS 53 -3.266 13.913 -3.380 479 HZ2 LYS 53 1HZ LYS 53 -2.997 12.573 -4.379 480 HZ3 LYS 53 2HZ LYS 53 -1.828 13.032 -3.249 481 H VAL 54 H VAL 54 -4.558 6.905 0.439 482 HA VAL 54 HA VAL 54 -2.002 5.719 1.346 483 HB VAL 54 HB VAL 54 -4.720 4.397 1.283 484 HG11 VAL 54 1HG1 VAL 54 -2.913 2.791 0.968 485 HG12 VAL 54 2HG1 VAL 54 -3.634 2.597 2.564 486 HG13 VAL 54 3HG1 VAL 54 -2.083 3.418 2.392 487 HG21 VAL 54 3HG2 VAL 54 -4.636 4.537 3.737 488 HG22 VAL 54 1HG2 VAL 54 -4.630 6.134 2.991 489 HG23 VAL 54 2HG2 VAL 54 -3.132 5.454 3.629 490 H LEU 55 H LEU 55 -0.799 4.602 -0.043 491 HA LEU 55 HA LEU 55 -1.940 3.710 -2.618 492 HB2 LEU 55 3HB LEU 55 0.937 4.026 -1.724 493 HB3 LEU 55 2HB LEU 55 0.060 5.122 -2.775 494 HG LEU 55 HG LEU 55 0.611 2.237 -3.493 495 HD11 LEU 55 1HD1 LEU 55 0.141 2.994 -5.775 496 HD12 LEU 55 2HD1 LEU 55 -0.228 4.607 -5.160 497 HD13 LEU 55 3HD1 LEU 55 -1.238 3.234 -4.702 498 HD21 LEU 55 3HD2 LEU 55 2.428 3.094 -4.919 499 HD22 LEU 55 1HD2 LEU 55 2.745 3.337 -3.202 500 HD23 LEU 55 2HD2 LEU 55 2.219 4.690 -4.202 501 H ILE 56 H ILE 56 -2.118 1.522 -3.059 502 HA ILE 56 HA ILE 56 -0.884 -0.344 -1.124 503 HB ILE 56 HB ILE 56 -3.653 -0.615 -2.315 504 HG12 ILE 56 3HG1 ILE 56 -3.542 1.088 -0.532 505 HG13 ILE 56 2HG1 ILE 56 -2.792 -0.083 0.548 506 HG21 ILE 56 1HG2 ILE 56 -2.189 -2.412 -0.372 507 HG22 ILE 56 2HG2 ILE 56 -2.558 -2.784 -2.057 508 HG23 ILE 56 3HG2 ILE 56 -3.865 -2.603 -0.888 509 HD11 ILE 56 3HD1 ILE 56 -5.132 0.184 1.073 510 HD12 ILE 56 1HD1 ILE 56 -4.828 -1.444 0.466 511 HD13 ILE 56 2HD1 ILE 56 -5.576 -0.239 -0.582 512 H LEU 57 H LEU 57 0.435 -1.757 -2.055 513 HA LEU 57 HA LEU 57 0.133 -2.372 -4.924 514 HB2 LEU 57 3HB LEU 57 2.477 -3.221 -4.758 515 HB3 LEU 57 2HB LEU 57 2.512 -2.719 -3.081 516 HG LEU 57 HG LEU 57 3.682 -1.173 -4.661 517 HD11 LEU 57 1HD1 LEU 57 0.895 -0.604 -5.666 518 HD12 LEU 57 2HD1 LEU 57 2.202 -1.370 -6.570 519 HD13 LEU 57 3HD1 LEU 57 2.347 0.313 -6.069 520 HD21 LEU 57 3HD2 LEU 57 2.899 -0.382 -2.483 521 HD22 LEU 57 1HD2 LEU 57 1.338 0.041 -3.190 522 HD23 LEU 57 2HD2 LEU 57 2.800 0.887 -3.705 523 H VAL 58 H VAL 58 -0.333 -4.423 -5.587 524 HA VAL 58 HA VAL 58 -0.419 -6.551 -3.529 525 HB VAL 58 HB VAL 58 -2.495 -7.408 -4.569 526 HG11 VAL 58 1HG1 VAL 58 -4.010 -5.733 -3.641 527 HG12 VAL 58 2HG1 VAL 58 -2.712 -4.539 -3.642 528 HG13 VAL 58 3HG1 VAL 58 -2.610 -5.953 -2.591 529 HG21 VAL 58 3HG2 VAL 58 -2.436 -4.837 -6.156 530 HG22 VAL 58 1HG2 VAL 58 -3.754 -6.006 -6.130 531 HG23 VAL 58 2HG2 VAL 58 -2.191 -6.458 -6.808 532 H SER 59 H SER 59 -0.412 -8.753 -4.356 533 HA SER 59 HA SER 59 1.520 -9.094 -6.479 534 HB2 SER 59 3HB SER 59 1.639 -10.449 -4.425 535 HB3 SER 59 2HB SER 59 1.451 -11.480 -5.845 536 HG SER 59 HG SER 59 0.052 -11.917 -3.929 537 H ASN 60 H ASN 60 -1.909 -9.883 -6.016 538 HA ASN 60 HA ASN 60 -2.114 -10.533 -8.887 539 HB2 ASN 60 3HB ASN 60 -3.658 -12.386 -8.354 540 HB3 ASN 60 2HB ASN 60 -3.397 -12.107 -6.637 541 HD21 ASN 60 2HD2 ASN 60 -0.313 -13.720 -6.521 542 HD22 ASN 60 1HD2 ASN 60 -1.405 -12.646 -5.728 543 H ASP 61 H ASP 61 -4.509 -10.703 -9.552 544 HA ASP 61 HA ASP 61 -5.711 -8.176 -9.039 545 HB2 ASP 61 3HB ASP 61 -7.501 -8.987 -10.548 546 HB3 ASP 61 2HB ASP 61 -6.782 -10.596 -10.509 547 H GLU 62 H GLU 62 -6.349 -11.434 -7.849 548 HA GLU 62 HA GLU 62 -8.804 -10.903 -6.556 549 HB2 GLU 62 3HB GLU 62 -6.647 -12.853 -5.711 550 HB3 GLU 62 2HB GLU 62 -7.867 -13.178 -6.934 551 HG2 GLU 62 3HG GLU 62 -9.626 -12.908 -5.236 552 HG3 GLU 62 2HG GLU 62 -8.388 -12.616 -4.014 553 H GLU 63 H GLU 63 -5.456 -10.808 -5.338 554 HA GLU 63 HA GLU 63 -5.987 -9.828 -2.765 555 HB2 GLU 63 3HB GLU 63 -3.719 -9.516 -2.541 556 HB3 GLU 63 2HB GLU 63 -3.551 -8.778 -4.123 557 HG2 GLU 63 3HG GLU 63 -2.345 -10.887 -3.947 558 HG3 GLU 63 2HG GLU 63 -3.582 -10.920 -5.199 559 H LEU 64 H LEU 64 -5.535 -8.172 -5.844 560 HA LEU 64 HA LEU 64 -5.567 -5.502 -5.076 561 HB2 LEU 64 3HB LEU 64 -6.898 -6.701 -7.516 562 HB3 LEU 64 2HB LEU 64 -5.179 -6.392 -7.378 563 HG LEU 64 HG LEU 64 -7.221 -4.183 -7.132 564 HD11 LEU 64 1HD1 LEU 64 -4.279 -4.180 -7.797 565 HD12 LEU 64 2HD1 LEU 64 -5.002 -3.702 -6.260 566 HD13 LEU 64 3HD1 LEU 64 -5.323 -2.760 -7.715 567 HD21 LEU 64 3HD2 LEU 64 -5.822 -5.119 -9.641 568 HD22 LEU 64 1HD2 LEU 64 -6.804 -3.661 -9.489 569 HD23 LEU 64 2HD2 LEU 64 -7.549 -5.249 -9.304 570 H ASP 65 H ASP 65 -8.351 -7.513 -6.028 571 HA ASP 65 HA ASP 65 -10.365 -5.647 -5.520 572 HB2 ASP 65 3HB ASP 65 -10.488 -8.672 -5.370 573 HB3 ASP 65 2HB ASP 65 -10.741 -7.690 -6.811 574 H LYS 66 H LYS 66 -9.084 -8.202 -3.376 575 HA LYS 66 HA LYS 66 -10.742 -7.718 -1.188 576 HB2 LYS 66 3HB LYS 66 -8.870 -8.720 0.183 577 HB3 LYS 66 2HB LYS 66 -7.899 -8.738 -1.284 578 HG2 LYS 66 3HG LYS 66 -8.855 -10.918 -0.936 579 HG3 LYS 66 2HG LYS 66 -9.596 -10.181 -2.357 580 HD2 LYS 66 3HD LYS 66 -11.333 -11.233 -1.072 581 HD3 LYS 66 2HD LYS 66 -11.520 -9.481 -0.919 582 HE2 LYS 66 3HE LYS 66 -10.459 -9.526 1.267 583 HE3 LYS 66 2HE LYS 66 -10.164 -11.258 1.119 584 HZ1 LYS 66 3HZ LYS 66 -12.544 -11.634 1.093 585 HZ2 LYS 66 1HZ LYS 66 -12.841 -9.973 1.214 586 HZ3 LYS 66 2HZ LYS 66 -12.097 -10.797 2.486 587 H ALA 67 H ALA 67 -7.525 -6.310 -1.842 588 HA ALA 67 HA ALA 67 -7.329 -4.735 0.464 589 HB1 ALA 67 3HB ALA 67 -6.170 -4.163 -2.266 590 HB2 ALA 67 1HB ALA 67 -5.446 -5.201 -1.037 591 HB3 ALA 67 2HB ALA 67 -5.624 -3.473 -0.737 592 H LYS 68 H LYS 68 -8.510 -3.780 -2.782 593 HA LYS 68 HA LYS 68 -9.070 -1.103 -2.030 594 HB2 LYS 68 3HB LYS 68 -8.656 -1.744 -4.358 595 HB3 LYS 68 2HB LYS 68 -10.182 -0.892 -4.183 596 HG2 LYS 68 3HG LYS 68 -11.395 -3.004 -4.310 597 HG3 LYS 68 2HG LYS 68 -9.868 -3.875 -4.448 598 HD2 LYS 68 3HD LYS 68 -10.801 -3.665 -6.643 599 HD3 LYS 68 2HD LYS 68 -9.391 -2.615 -6.540 600 HE2 LYS 68 3HE LYS 68 -12.185 -1.587 -6.089 601 HE3 LYS 68 2HE LYS 68 -11.458 -1.670 -7.689 602 HZ1 LYS 68 3HZ LYS 68 -10.446 -0.096 -5.386 603 HZ2 LYS 68 1HZ LYS 68 -11.158 0.509 -6.793 604 HZ3 LYS 68 2HZ LYS 68 -9.648 -0.249 -6.869 605 H GLU 69 H GLU 69 -11.182 -3.972 -2.289 606 HA GLU 69 HA GLU 69 -13.621 -2.657 -1.826 607 HB2 GLU 69 3HB GLU 69 -14.453 -4.923 -1.095 608 HB3 GLU 69 2HB GLU 69 -12.800 -5.518 -1.245 609 HG2 GLU 69 3HG GLU 69 -14.077 -6.094 -3.208 610 HG3 GLU 69 2HG GLU 69 -12.813 -4.941 -3.629 611 H LEU 70 H LEU 70 -11.413 -4.247 0.492 612 HA LEU 70 HA LEU 70 -12.814 -3.733 2.843 613 HB2 LEU 70 3HB LEU 70 -10.551 -3.694 3.953 614 HB3 LEU 70 2HB LEU 70 -9.829 -3.761 2.356 615 HG LEU 70 HG LEU 70 -10.889 -5.956 1.973 616 HD11 LEU 70 1HD1 LEU 70 -9.291 -5.815 4.530 617 HD12 LEU 70 2HD1 LEU 70 -8.631 -5.843 2.894 618 HD13 LEU 70 3HD1 LEU 70 -9.508 -7.241 3.513 619 HD21 LEU 70 3HD2 LEU 70 -11.838 -5.699 4.830 620 HD22 LEU 70 1HD2 LEU 70 -11.981 -7.134 3.814 621 HD23 LEU 70 2HD2 LEU 70 -12.857 -5.665 3.392 622 H ALA 71 H ALA 71 -10.328 -1.701 1.297 623 HA ALA 71 HA ALA 71 -10.373 0.432 3.089 624 HB1 ALA 71 3HB ALA 71 -8.648 0.122 1.406 625 HB2 ALA 71 1HB ALA 71 -9.349 1.737 1.300 626 HB3 ALA 71 2HB ALA 71 -9.805 0.498 0.130 627 H GLN 72 H GLN 72 -12.359 -0.070 0.173 628 HA GLN 72 HA GLN 72 -13.752 2.357 0.164 629 HB2 GLN 72 3HB GLN 72 -15.570 1.075 -0.993 630 HB3 GLN 72 2HB GLN 72 -14.693 -0.407 -0.634 631 HG2 GLN 72 3HG GLN 72 -12.774 0.475 -1.939 632 HG3 GLN 72 2HG GLN 72 -13.770 1.860 -2.387 633 HE21 GLN 72 2HE2 GLN 72 -13.888 -0.941 -4.929 634 HE22 GLN 72 1HE2 GLN 72 -12.577 -0.198 -4.082 635 H LYS 73 H LYS 73 -14.610 -0.711 1.775 636 HA LYS 73 HA LYS 73 -16.942 0.368 3.039 637 HB2 LYS 73 3HB LYS 73 -17.111 -1.751 4.168 638 HB3 LYS 73 2HB LYS 73 -15.422 -2.124 3.838 639 HG2 LYS 73 3HG LYS 73 -15.864 -2.360 1.491 640 HG3 LYS 73 2HG LYS 73 -17.516 -1.779 1.693 641 HD2 LYS 73 3HD LYS 73 -16.465 -4.284 3.006 642 HD3 LYS 73 2HD LYS 73 -17.278 -4.269 1.439 643 HE2 LYS 73 3HE LYS 73 -18.460 -3.307 4.046 644 HE3 LYS 73 2HE LYS 73 -18.833 -4.832 3.243 645 HZ1 LYS 73 3HZ LYS 73 -19.429 -2.100 2.255 646 HZ2 LYS 73 1HZ LYS 73 -20.539 -3.294 2.706 647 HZ3 LYS 73 2HZ LYS 73 -19.603 -3.489 1.313 648 H MET 74 H MET 74 -13.607 0.489 3.771 649 HA MET 74 HA MET 74 -14.071 1.288 6.548 650 HB2 MET 74 3HB MET 74 -11.606 1.451 6.687 651 HB3 MET 74 2HB MET 74 -11.492 1.073 4.973 652 HG2 MET 74 3HG MET 74 -11.014 -0.907 6.202 653 HG3 MET 74 2HG MET 74 -12.589 -1.110 5.441 654 HE1 MET 74 3HE MET 74 -11.790 -0.530 9.935 655 HE2 MET 74 1HE MET 74 -11.360 0.710 8.760 656 HE3 MET 74 2HE MET 74 -10.565 -0.864 8.708 657 H GLU 75 H GLU 75 -14.344 2.739 3.620 658 HA GLU 75 HA GLU 75 -14.703 4.891 2.982 659 HB2 GLU 75 3HB GLU 75 -15.092 6.580 4.781 660 HB3 GLU 75 2HB GLU 75 -14.555 5.393 5.963 661 HG2 GLU 75 3HG GLU 75 -16.414 3.899 5.135 662 HG3 GLU 75 2HG GLU 75 -17.013 5.290 4.231 663 H ILE 76 H ILE 76 -11.924 3.921 3.102 664 HA ILE 76 HA ILE 76 -10.472 6.428 3.698 665 HB ILE 76 HB ILE 76 -9.271 3.677 3.309 666 HG12 ILE 76 3HG1 ILE 76 -10.711 3.641 5.278 667 HG13 ILE 76 2HG1 ILE 76 -9.982 5.120 5.893 668 HG21 ILE 76 1HG2 ILE 76 -7.272 4.658 4.335 669 HG22 ILE 76 2HG2 ILE 76 -8.090 6.218 4.453 670 HG23 ILE 76 3HG2 ILE 76 -7.729 5.530 2.869 671 HD11 ILE 76 3HD1 ILE 76 -9.139 3.180 7.059 672 HD12 ILE 76 1HD1 ILE 76 -7.848 3.957 6.144 673 HD13 ILE 76 2HD1 ILE 76 -8.595 2.477 5.537 674 H ASP 77 H ASP 77 -9.227 7.441 2.160 675 HA ASP 77 HA ASP 77 -9.705 6.857 -0.614 676 HB2 ASP 77 3HB ASP 77 -7.776 8.855 0.614 677 HB3 ASP 77 2HB ASP 77 -9.477 9.175 0.304 678 H VAL 78 H VAL 78 -8.711 5.070 -1.453 679 HA VAL 78 HA VAL 78 -5.800 4.785 -1.019 680 HB VAL 78 HB VAL 78 -5.969 2.382 -0.983 681 HG11 VAL 78 1HG1 VAL 78 -6.241 3.527 1.161 682 HG12 VAL 78 2HG1 VAL 78 -7.158 2.026 1.120 683 HG13 VAL 78 3HG1 VAL 78 -7.988 3.570 0.926 684 HG21 VAL 78 3HG2 VAL 78 -8.955 2.727 -1.311 685 HG22 VAL 78 1HG2 VAL 78 -8.114 1.199 -1.047 686 HG23 VAL 78 2HG2 VAL 78 -7.843 2.109 -2.534 687 H ARG 79 H ARG 79 -4.586 3.905 -2.717 688 HA ARG 79 HA ARG 79 -5.977 3.549 -5.299 689 HB2 ARG 79 3HB ARG 79 -4.020 4.449 -6.456 690 HB3 ARG 79 2HB ARG 79 -3.186 4.680 -4.926 691 HG2 ARG 79 3HG ARG 79 -5.805 6.052 -5.432 692 HG3 ARG 79 2HG ARG 79 -4.310 6.707 -6.101 693 HD2 ARG 79 3HD ARG 79 -3.374 7.057 -3.959 694 HD3 ARG 79 2HD ARG 79 -4.591 6.049 -3.178 695 HE ARG 79 HE ARG 79 -5.946 7.869 -3.041 696 HH11 ARG 79 1HH1 ARG 79 -3.566 8.524 -5.461 697 HH12 ARG 79 2HH1 ARG 79 -4.122 10.136 -5.712 698 HH21 ARG 79 2HH2 ARG 79 -5.864 10.917 -4.550 699 HH22 ARG 79 1HH2 ARG 79 -6.634 9.916 -3.358 700 H THR 80 H THR 80 -6.044 1.366 -5.490 701 HA THR 80 HA THR 80 -3.754 -0.253 -4.652 702 HB THR 80 HB THR 80 -5.209 -2.214 -5.180 703 HG1 THR 80 HG1 THR 80 -7.289 -0.298 -5.538 704 HG21 THR 80 3HG2 THR 80 -6.797 -1.881 -3.324 705 HG22 THR 80 1HG2 THR 80 -6.401 -0.162 -3.313 706 HG23 THR 80 2HG2 THR 80 -5.164 -1.356 -2.915 707 H ARG 81 H ARG 81 -2.274 -1.032 -6.000 708 HA ARG 81 HA ARG 81 -2.942 -1.451 -8.832 709 HB2 ARG 81 3HB ARG 81 -0.685 -0.542 -9.469 710 HB3 ARG 81 2HB ARG 81 -0.491 0.011 -7.811 711 HG2 ARG 81 3HG ARG 81 -1.196 1.847 -9.211 712 HG3 ARG 81 2HG ARG 81 -2.480 1.444 -8.071 713 HD2 ARG 81 3HD ARG 81 -3.524 0.051 -9.908 714 HD3 ARG 81 2HD ARG 81 -2.347 0.765 -11.010 715 HE ARG 81 HE ARG 81 -3.707 2.812 -9.635 716 HH11 ARG 81 1HH1 ARG 81 -4.221 0.466 -12.114 717 HH12 ARG 81 2HH1 ARG 81 -5.485 1.380 -12.858 718 HH21 ARG 81 2HH2 ARG 81 -6.124 3.320 -11.998 719 HH22 ARG 81 1HH2 ARG 81 -5.336 3.960 -10.595 720 H LYS 82 H LYS 82 -1.766 -3.095 -9.874 721 HA LYS 82 HA LYS 82 -0.814 -5.131 -8.008 722 HB2 LYS 82 3HB LYS 82 -1.586 -5.286 -10.929 723 HB3 LYS 82 2HB LYS 82 -2.602 -5.715 -9.561 724 HG2 LYS 82 3HG LYS 82 -1.054 -7.532 -8.985 725 HG3 LYS 82 2HG LYS 82 -0.068 -7.122 -10.392 726 HD2 LYS 82 3HD LYS 82 -2.935 -8.084 -10.407 727 HD3 LYS 82 2HD LYS 82 -1.517 -8.988 -10.939 728 HE2 LYS 82 3HE LYS 82 -1.140 -7.337 -12.723 729 HE3 LYS 82 2HE LYS 82 -2.572 -6.454 -12.200 730 HZ1 LYS 82 3HZ LYS 82 -3.895 -8.445 -12.690 731 HZ2 LYS 82 1HZ LYS 82 -2.506 -9.212 -13.281 732 HZ3 LYS 82 2HZ LYS 82 -3.110 -7.839 -14.058 733 H VAL 83 H VAL 83 1.277 -5.720 -7.827 734 HA VAL 83 HA VAL 83 3.183 -4.843 -9.906 735 HB VAL 83 HB VAL 83 4.927 -4.848 -8.130 736 HG11 VAL 83 1HG1 VAL 83 4.219 -2.751 -7.070 737 HG12 VAL 83 2HG1 VAL 83 2.561 -3.041 -7.599 738 HG13 VAL 83 3HG1 VAL 83 3.834 -2.767 -8.790 739 HG21 VAL 83 3HG2 VAL 83 2.583 -5.249 -6.254 740 HG22 VAL 83 1HG2 VAL 83 4.233 -4.861 -5.764 741 HG23 VAL 83 2HG2 VAL 83 3.887 -6.400 -6.552 742 H THR 84 H THR 84 4.412 -6.325 -10.883 743 HA THR 84 HA THR 84 4.447 -9.090 -9.816 744 HB THR 84 HB THR 84 4.770 -9.879 -12.107 745 HG1 THR 84 HG1 THR 84 4.704 -8.384 -13.838 746 HG21 THR 84 3HG2 THR 84 2.464 -9.626 -11.328 747 HG22 THR 84 1HG2 THR 84 2.578 -9.275 -13.054 748 HG23 THR 84 2HG2 THR 84 2.443 -7.953 -11.891 749 H SER 85 H SER 85 6.361 -6.423 -10.142 750 HA SER 85 HA SER 85 8.841 -8.000 -10.119 751 HB2 SER 85 3HB SER 85 9.942 -6.397 -11.644 752 HB3 SER 85 2HB SER 85 8.421 -5.524 -11.827 753 HG SER 85 HG SER 85 7.563 -7.216 -12.943 754 HA PRO 86 HA PRO 86 9.921 -5.500 -6.621 755 HB2 PRO 86 2HB PRO 86 12.637 -5.108 -7.127 756 HB3 PRO 86 3HB PRO 86 11.934 -6.513 -6.321 757 HG2 PRO 86 3HG PRO 86 12.942 -7.584 -8.116 758 HG3 PRO 86 2HG PRO 86 12.750 -6.181 -9.182 759 HD2 PRO 86 3HD PRO 86 10.721 -8.248 -8.382 760 HD3 PRO 86 2HD PRO 86 11.017 -7.520 -9.977 761 H ASP 87 H ASP 87 11.325 -4.322 -9.714 762 HA ASP 87 HA ASP 87 11.627 -1.647 -8.822 763 HB2 ASP 87 3HB ASP 87 11.345 -2.564 -11.689 764 HB3 ASP 87 2HB ASP 87 12.847 -2.629 -10.772 765 H GLU 88 H GLU 88 8.885 -3.382 -10.104 766 HA GLU 88 HA GLU 88 7.239 -1.263 -10.885 767 HB2 GLU 88 3HB GLU 88 5.335 -2.809 -10.055 768 HB3 GLU 88 2HB GLU 88 6.616 -3.951 -9.674 769 HG2 GLU 88 3HG GLU 88 5.678 -4.471 -11.826 770 HG3 GLU 88 2HG GLU 88 7.336 -3.900 -12.026 771 H ALA 89 H ALA 89 7.280 -2.843 -7.664 772 HA ALA 89 HA ALA 89 5.685 -1.018 -6.304 773 HB1 ALA 89 3HB ALA 89 6.760 -1.810 -4.256 774 HB2 ALA 89 1HB ALA 89 8.064 -2.526 -5.205 775 HB3 ALA 89 2HB ALA 89 6.424 -3.155 -5.344 776 H LYS 90 H LYS 90 9.220 -0.976 -6.711 777 HA LYS 90 HA LYS 90 9.852 1.369 -5.373 778 HB2 LYS 90 3HB LYS 90 11.824 1.478 -6.917 779 HB3 LYS 90 2HB LYS 90 11.088 0.209 -7.890 780 HG2 LYS 90 3HG LYS 90 11.094 -1.221 -5.797 781 HG3 LYS 90 2HG LYS 90 12.110 0.014 -5.063 782 HD2 LYS 90 3HD LYS 90 12.787 -1.545 -7.560 783 HD3 LYS 90 2HD LYS 90 13.418 -1.873 -5.956 784 HE2 LYS 90 3HE LYS 90 15.135 -0.683 -6.956 785 HE3 LYS 90 2HE LYS 90 14.292 0.549 -6.022 786 HZ1 LYS 90 3HZ LYS 90 13.246 1.361 -7.982 787 HZ2 LYS 90 1HZ LYS 90 13.824 0.072 -8.917 788 HZ3 LYS 90 2HZ LYS 90 14.895 1.231 -8.307 789 H ARG 91 H ARG 91 8.744 0.987 -8.723 790 HA ARG 91 HA ARG 91 8.996 3.724 -9.444 791 HB2 ARG 91 3HB ARG 91 7.351 1.503 -10.679 792 HB3 ARG 91 2HB ARG 91 8.991 1.960 -11.126 793 HG2 ARG 91 3HG ARG 91 8.205 4.111 -11.930 794 HG3 ARG 91 2HG ARG 91 6.562 3.727 -11.419 795 HD2 ARG 91 3HD ARG 91 6.594 1.785 -12.988 796 HD3 ARG 91 2HD ARG 91 8.164 2.345 -13.573 797 HE ARG 91 HE ARG 91 6.381 4.477 -13.744 798 HH11 ARG 91 1HH1 ARG 91 6.831 1.386 -15.182 799 HH12 ARG 91 2HH1 ARG 91 6.034 1.832 -16.647 800 HH21 ARG 91 2HH2 ARG 91 5.226 3.896 -16.901 801 HH22 ARG 91 1HH2 ARG 91 5.371 5.049 -15.619 802 H TRP 92 H TRP 92 6.129 1.756 -8.577 803 HA TRP 92 HA TRP 92 4.235 3.804 -8.843 804 HB2 TRP 92 3HB TRP 92 2.828 2.358 -7.279 805 HB3 TRP 92 2HB TRP 92 4.212 1.273 -7.196 806 HD1 TRP 92 HD1 TRP 92 4.492 -0.443 -9.141 807 HE1 TRP 92 HE1 TRP 92 3.210 -0.931 -11.321 808 HE3 TRP 92 HE3 TRP 92 1.425 3.649 -9.203 809 HZ2 TRP 92 HZ2 TRP 92 1.162 0.264 -12.856 810 HZ3 TRP 92 HZ3 TRP 92 -0.167 3.899 -11.060 811 HH2 TRP 92 HH2 TRP 92 -0.294 2.240 -12.850 812 H ILE 93 H ILE 93 6.070 2.789 -5.950 813 HA ILE 93 HA ILE 93 4.918 4.529 -4.094 814 HB ILE 93 HB ILE 93 7.790 3.588 -4.279 815 HG12 ILE 93 3HG1 ILE 93 6.108 1.803 -3.996 816 HG13 ILE 93 2HG1 ILE 93 5.460 2.631 -2.585 817 HG21 ILE 93 1HG2 ILE 93 7.710 5.619 -2.938 818 HG22 ILE 93 2HG2 ILE 93 8.003 4.219 -1.909 819 HG23 ILE 93 3HG2 ILE 93 6.399 4.949 -1.964 820 HD11 ILE 93 3HD1 ILE 93 8.213 1.446 -2.844 821 HD12 ILE 93 1HD1 ILE 93 6.865 0.795 -1.913 822 HD13 ILE 93 2HD1 ILE 93 7.608 2.321 -1.438 823 H LYS 94 H LYS 94 7.681 5.130 -6.288 824 HA LYS 94 HA LYS 94 8.124 7.810 -5.596 825 HB2 LYS 94 3HB LYS 94 8.557 6.326 -8.190 826 HB3 LYS 94 2HB LYS 94 9.743 6.703 -6.947 827 HG2 LYS 94 3HG LYS 94 9.465 9.117 -7.482 828 HG3 LYS 94 2HG LYS 94 8.399 8.655 -8.812 829 HD2 LYS 94 3HD LYS 94 10.293 7.278 -9.734 830 HD3 LYS 94 2HD LYS 94 11.327 7.993 -8.495 831 HE2 LYS 94 3HE LYS 94 9.896 9.416 -10.738 832 HE3 LYS 94 2HE LYS 94 11.635 9.239 -10.516 833 HZ1 LYS 94 3HZ LYS 94 11.052 11.413 -9.848 834 HZ2 LYS 94 1HZ LYS 94 11.366 10.554 -8.426 835 HZ3 LYS 94 2HZ LYS 94 9.771 10.872 -8.889 836 H GLU 95 H GLU 95 5.996 6.487 -8.162 837 HA GLU 95 HA GLU 95 5.166 9.039 -9.075 838 HB2 GLU 95 3HB GLU 95 3.302 7.705 -10.213 839 HB3 GLU 95 2HB GLU 95 4.075 6.278 -9.528 840 HG2 GLU 95 3HG GLU 95 6.127 6.776 -10.697 841 HG3 GLU 95 2HG GLU 95 5.462 8.297 -11.289 842 H PHE 96 H PHE 96 4.031 7.098 -6.435 843 HA PHE 96 HA PHE 96 1.596 8.539 -6.015 844 HB2 PHE 96 3HB PHE 96 3.331 7.090 -3.994 845 HB3 PHE 96 2HB PHE 96 2.081 6.337 -4.977 846 HD1 PHE 96 HD1 PHE 96 2.769 7.714 -1.840 847 HD2 PHE 96 HD2 PHE 96 -0.300 7.500 -4.790 848 HE1 PHE 96 HE1 PHE 96 1.085 8.232 -0.126 849 HE2 PHE 96 HE2 PHE 96 -1.986 8.018 -3.075 850 HZ PHE 96 HZ PHE 96 -1.293 8.384 -0.743 851 H SER 97 H SER 97 4.930 8.923 -4.918 852 HA SER 97 HA SER 97 4.525 11.224 -3.296 853 HB2 SER 97 3HB SER 97 7.003 10.177 -4.686 854 HB3 SER 97 2HB SER 97 6.531 9.899 -3.012 855 HG SER 97 HG SER 97 7.649 12.162 -4.209 856 H GLU 98 H GLU 98 5.017 10.789 -6.746 857 HA GLU 98 HA GLU 98 5.686 13.386 -7.528 858 HB2 GLU 98 3HB GLU 98 4.631 12.840 -9.705 859 HB3 GLU 98 2HB GLU 98 3.904 11.413 -8.981 860 HG2 GLU 98 3HG GLU 98 5.802 10.733 -10.244 861 HG3 GLU 98 2HG GLU 98 6.170 10.527 -8.535 862 H GLU 99 H GLU 99 2.530 12.001 -6.728 863 HA GLU 99 HA GLU 99 1.088 14.440 -7.315 864 HB2 GLU 99 3HB GLU 99 -0.835 13.296 -6.253 865 HB3 GLU 99 2HB GLU 99 0.222 11.976 -5.781 866 HG2 GLU 99 3HG GLU 99 0.590 11.375 -8.083 867 HG3 GLU 99 2HG GLU 99 -0.322 12.782 -8.634 868 H GLY 100 H GLY 100 2.084 12.703 -4.369 869 HA2 GLY 100 3HA GLY 100 2.363 15.019 -2.773 870 HA3 GLY 100 2HA GLY 100 2.230 13.370 -2.176 871 H GLY 101 H GLY 101 0.815 16.337 -2.033 872 HA2 GLY 101 3HA GLY 101 -1.166 17.014 -1.034 873 HA3 GLY 101 2HA GLY 101 -1.596 15.327 -0.831 874 H SER 102 H SER 102 -0.918 17.253 -3.746 875 HA SER 102 HA SER 102 -2.196 17.880 -5.525 876 HB2 SER 102 3HB SER 102 -1.772 15.518 -6.085 877 HB3 SER 102 2HB SER 102 -3.334 16.051 -6.703 878 HG SER 102 HG SER 102 -4.344 14.761 -5.344 879 H LEU 103 H LEU 103 -3.345 19.368 -4.003 880 HA LEU 103 HA LEU 103 -6.020 18.568 -3.172 881 HB2 LEU 103 3HB LEU 103 -6.091 20.763 -2.067 882 HB3 LEU 103 2HB LEU 103 -4.554 21.182 -2.801 883 HG LEU 103 HG LEU 103 -3.424 19.446 -1.508 884 HD11 LEU 103 1HD1 LEU 103 -5.169 21.216 0.204 885 HD12 LEU 103 2HD1 LEU 103 -3.622 21.657 -0.522 886 HD13 LEU 103 3HD1 LEU 103 -3.686 20.413 0.725 887 HD21 LEU 103 3HD2 LEU 103 -4.618 18.175 0.220 888 HD22 LEU 103 1HD2 LEU 103 -5.222 17.802 -1.394 889 HD23 LEU 103 2HD2 LEU 103 -6.147 18.862 -0.331 890 H GLU 104 H GLU 104 -4.548 20.489 -5.699 891 HA GLU 104 HA GLU 104 -7.165 21.615 -6.433 892 HB2 GLU 104 3HB GLU 104 -5.894 23.045 -8.003 893 HB3 GLU 104 2HB GLU 104 -4.404 22.258 -7.496 894 HG2 GLU 104 3HG GLU 104 -4.605 23.145 -5.282 895 HG3 GLU 104 2HG GLU 104 -6.226 23.752 -5.617 896 H HIS 105 H HIS 105 -7.806 21.614 -8.731 897 HA HIS 105 HA HIS 105 -7.601 18.902 -9.756 898 HB2 HIS 105 3HB HIS 105 -9.419 19.531 -11.253 899 HB3 HIS 105 2HB HIS 105 -9.235 21.224 -10.809 900 HD1 HIS 105 HD1 HIS 105 -10.225 17.923 -9.230 901 HD2 HIS 105 HD2 HIS 105 -10.752 22.005 -8.684 902 HE1 HIS 105 HE1 HIS 105 -11.911 18.139 -7.389 903 HE2 HIS 105 HE2 HIS 105 -12.015 20.606 -6.914 904 H HIS 106 H HIS 106 -5.482 21.232 -10.104 905 HA HIS 106 HA HIS 106 -5.378 21.783 -12.879 906 HB2 HIS 106 3HB HIS 106 -3.056 22.592 -12.404 907 HB3 HIS 106 2HB HIS 106 -3.233 21.988 -10.759 908 HD1 HIS 106 HD1 HIS 106 -2.822 24.567 -10.122 909 HD2 HIS 106 HD2 HIS 106 -6.429 23.698 -11.991 910 HE1 HIS 106 HE1 HIS 106 -4.296 26.547 -9.694 911 HE2 HIS 106 HE2 HIS 106 -6.508 25.943 -10.714 912 H HIS 107 H HIS 107 -5.652 19.723 -13.824 913 HA HIS 107 HA HIS 107 -3.237 18.688 -14.864 914 HB2 HIS 107 3HB HIS 107 -2.939 17.353 -12.944 915 HB3 HIS 107 2HB HIS 107 -3.659 16.262 -14.117 916 HD1 HIS 107 HD1 HIS 107 -4.027 17.451 -10.725 917 HD2 HIS 107 HD2 HIS 107 -6.543 15.836 -13.611 918 HE1 HIS 107 HE1 HIS 107 -6.058 16.658 -9.480 919 HE2 HIS 107 HE2 HIS 107 -7.464 15.509 -11.215 920 H HIS 108 H HIS 108 -3.909 18.732 -16.923 921 HA HIS 108 HA HIS 108 -6.587 18.536 -17.739 922 HB2 HIS 108 3HB HIS 108 -4.103 18.174 -19.432 923 HB3 HIS 108 2HB HIS 108 -4.824 19.723 -19.007 924 HD1 HIS 108 HD1 HIS 108 -7.343 20.080 -19.935 925 HD2 HIS 108 HD2 HIS 108 -5.111 17.069 -21.728 926 HE1 HIS 108 HE1 HIS 108 -8.486 19.602 -22.112 927 HE2 HIS 108 HE2 HIS 108 -7.252 17.631 -23.059 928 H HIS 109 H HIS 109 -7.854 16.809 -17.773 929 HA HIS 109 HA HIS 109 -7.234 14.415 -19.165 930 HB2 HIS 109 3HB HIS 109 -7.244 14.240 -16.137 931 HB3 HIS 109 2HB HIS 109 -5.877 13.913 -17.193 932 HD1 HIS 109 HD1 HIS 109 -5.929 11.675 -18.542 933 HD2 HIS 109 HD2 HIS 109 -9.059 12.140 -15.852 934 HE1 HIS 109 HE1 HIS 109 -6.959 9.403 -18.316 935 HE2 HIS 109 HE2 HIS 109 -8.976 9.761 -16.866 936 H HIS 110 H HIS 110 -9.098 13.287 -19.660 937 HA HIS 110 HA HIS 110 -11.641 14.382 -18.838 938 HB2 HIS 110 3HB HIS 110 -12.581 12.525 -20.268 939 HB3 HIS 110 2HB HIS 110 -10.928 12.011 -20.577 940 HD1 HIS 110 HD1 HIS 110 -13.139 15.051 -21.114 941 HD2 HIS 110 HD2 HIS 110 -9.741 13.254 -22.691 942 HE1 HIS 110 HE1 HIS 110 -12.598 16.349 -23.187 943 HE2 HIS 110 HE2 HIS 110 -10.662 15.125 -24.224 Start of MODEL 20 1 H1 MET 1 1H MET 1 1.000 16.867 6.465 2 H2 MET 1 2H MET 1 0.756 17.993 5.229 3 H3 MET 1 3H MET 1 2.104 16.972 5.189 4 HA MET 1 HA MET 1 -0.726 16.117 4.971 5 HB2 MET 1 3HB MET 1 1.442 16.033 2.854 6 HB3 MET 1 2HB MET 1 0.277 17.344 2.988 7 HG2 MET 1 3HG MET 1 -0.388 14.447 2.488 8 HG3 MET 1 2HG MET 1 -0.378 15.734 1.281 9 HE1 MET 1 3HE MET 1 -2.873 13.852 1.681 10 HE2 MET 1 1HE MET 1 -2.870 15.196 0.538 11 HE3 MET 1 2HE MET 1 -4.201 15.010 1.679 12 H LEU 2 H LEU 2 -1.075 13.881 4.991 13 HA LEU 2 HA LEU 2 1.269 12.273 5.791 14 HB2 LEU 2 3HB LEU 2 -0.318 10.753 6.879 15 HB3 LEU 2 2HB LEU 2 -1.655 11.746 6.340 16 HG LEU 2 HG LEU 2 0.475 12.958 8.073 17 HD11 LEU 2 1HD1 LEU 2 -1.365 14.368 8.825 18 HD12 LEU 2 2HD1 LEU 2 -2.488 13.465 7.808 19 HD13 LEU 2 3HD1 LEU 2 -1.202 14.421 7.069 20 HD21 LEU 2 3HD2 LEU 2 -0.774 12.298 10.073 21 HD22 LEU 2 1HD2 LEU 2 -0.135 10.895 9.216 22 HD23 LEU 2 2HD2 LEU 2 -1.844 11.308 9.079 23 H LEU 3 H LEU 3 1.987 10.772 4.446 24 HA LEU 3 HA LEU 3 0.141 9.548 2.488 25 HB2 LEU 3 3HB LEU 3 2.026 9.508 0.872 26 HB3 LEU 3 2HB LEU 3 3.004 10.405 2.017 27 HG LEU 3 HG LEU 3 1.390 12.306 1.841 28 HD11 LEU 3 1HD1 LEU 3 3.454 12.281 0.527 29 HD12 LEU 3 2HD1 LEU 3 2.142 13.053 -0.362 30 HD13 LEU 3 3HD1 LEU 3 2.629 11.405 -0.765 31 HD21 LEU 3 3HD2 LEU 3 0.216 10.676 -0.413 32 HD22 LEU 3 1HD2 LEU 3 -0.217 12.331 0.016 33 HD23 LEU 3 2HD2 LEU 3 -0.569 11.012 1.132 34 H TYR 4 H TYR 4 -0.012 7.411 2.880 35 HA TYR 4 HA TYR 4 2.314 6.009 4.051 36 HB2 TYR 4 3HB TYR 4 0.535 4.490 5.115 37 HB3 TYR 4 2HB TYR 4 -0.624 5.747 4.693 38 HD1 TYR 4 HD1 TYR 4 0.044 8.189 5.510 39 HD2 TYR 4 HD2 TYR 4 1.555 4.581 7.193 40 HE1 TYR 4 HE1 TYR 4 0.620 9.395 7.574 41 HE2 TYR 4 HE2 TYR 4 2.132 5.782 9.254 42 HH TYR 4 HH TYR 4 2.555 7.958 10.063 43 H VAL 5 H VAL 5 2.553 3.755 3.566 44 HA VAL 5 HA VAL 5 1.268 2.928 1.037 45 HB VAL 5 HB VAL 5 4.180 2.507 1.768 46 HG11 VAL 5 1HG1 VAL 5 4.424 1.626 -0.506 47 HG12 VAL 5 2HG1 VAL 5 2.690 1.820 -0.772 48 HG13 VAL 5 3HG1 VAL 5 3.274 0.668 0.430 49 HG21 VAL 5 3HG2 VAL 5 3.751 4.838 1.205 50 HG22 VAL 5 1HG2 VAL 5 2.948 4.348 -0.287 51 HG23 VAL 5 2HG2 VAL 5 4.675 4.055 -0.079 52 H LEU 6 H LEU 6 0.729 0.802 0.837 53 HA LEU 6 HA LEU 6 1.386 -1.069 3.024 54 HB2 LEU 6 3HB LEU 6 -0.859 -2.106 2.634 55 HB3 LEU 6 2HB LEU 6 -1.240 -0.792 1.538 56 HG LEU 6 HG LEU 6 -1.083 0.812 3.405 57 HD11 LEU 6 1HD1 LEU 6 -2.943 -1.520 3.887 58 HD12 LEU 6 2HD1 LEU 6 -3.252 -0.110 2.871 59 HD13 LEU 6 3HD1 LEU 6 -3.105 0.080 4.617 60 HD21 LEU 6 3HD2 LEU 6 -0.924 -0.023 5.714 61 HD22 LEU 6 1HD2 LEU 6 0.543 -0.345 4.792 62 HD23 LEU 6 2HD2 LEU 6 -0.608 -1.646 5.100 63 H ILE 7 H ILE 7 2.135 -3.053 2.357 64 HA ILE 7 HA ILE 7 1.898 -3.688 -0.518 65 HB ILE 7 HB ILE 7 4.145 -2.808 -0.105 66 HG12 ILE 7 3HG1 ILE 7 3.826 -4.557 -1.817 67 HG13 ILE 7 2HG1 ILE 7 4.134 -5.801 -0.611 68 HG21 ILE 7 1HG2 ILE 7 4.345 -3.396 2.261 69 HG22 ILE 7 2HG2 ILE 7 5.732 -3.971 1.334 70 HG23 ILE 7 3HG2 ILE 7 4.473 -5.103 1.831 71 HD11 ILE 7 3HD1 ILE 7 6.104 -3.724 -1.540 72 HD12 ILE 7 1HD1 ILE 7 6.080 -5.427 -2.002 73 HD13 ILE 7 2HD1 ILE 7 6.411 -4.973 -0.331 74 H ILE 8 H ILE 8 1.060 -5.613 -0.910 75 HA ILE 8 HA ILE 8 1.164 -7.707 1.170 76 HB ILE 8 HB ILE 8 -0.691 -7.483 -1.224 77 HG12 ILE 8 3HG1 ILE 8 -1.047 -5.745 0.550 78 HG13 ILE 8 2HG1 ILE 8 -1.307 -7.040 1.710 79 HG21 ILE 8 1HG2 ILE 8 -1.945 -9.311 -0.176 80 HG22 ILE 8 2HG2 ILE 8 -0.739 -9.409 1.108 81 HG23 ILE 8 3HG2 ILE 8 -0.293 -9.803 -0.552 82 HD11 ILE 8 3HD1 ILE 8 -3.246 -7.795 0.415 83 HD12 ILE 8 1HD1 ILE 8 -3.003 -6.445 -0.694 84 HD13 ILE 8 2HD1 ILE 8 -3.410 -6.137 0.993 85 H SER 9 H SER 9 2.984 -8.876 0.789 86 HA SER 9 HA SER 9 3.182 -10.444 -1.609 87 HB2 SER 9 3HB SER 9 5.353 -8.390 -1.072 88 HB3 SER 9 2HB SER 9 4.231 -8.383 -2.433 89 HG SER 9 HG SER 9 5.818 -9.450 -3.346 90 H ASN 10 H ASN 10 4.887 -12.033 -1.523 91 HA ASN 10 HA ASN 10 5.546 -12.789 1.236 92 HB2 ASN 10 3HB ASN 10 5.947 -15.013 0.348 93 HB3 ASN 10 2HB ASN 10 5.835 -14.414 -1.305 94 HD21 ASN 10 2HD2 ASN 10 2.560 -15.574 -1.240 95 HD22 ASN 10 1HD2 ASN 10 4.165 -15.768 -1.851 96 H ASP 11 H ASP 11 7.041 -12.047 -1.856 97 HA ASP 11 HA ASP 11 9.666 -12.915 -1.224 98 HB2 ASP 11 3HB ASP 11 10.323 -11.736 -3.269 99 HB3 ASP 11 2HB ASP 11 8.772 -10.901 -3.306 100 H LYS 12 H LYS 12 10.599 -12.056 0.558 101 HA LYS 12 HA LYS 12 10.430 -9.500 1.581 102 HB2 LYS 12 3HB LYS 12 12.854 -10.037 2.435 103 HB3 LYS 12 2HB LYS 12 12.556 -11.610 1.712 104 HG2 LYS 12 3HG LYS 12 11.621 -12.192 3.650 105 HG3 LYS 12 2HG LYS 12 10.269 -11.150 3.210 106 HD2 LYS 12 3HD LYS 12 12.676 -10.401 4.875 107 HD3 LYS 12 2HD LYS 12 11.011 -10.573 5.431 108 HE2 LYS 12 3HE LYS 12 10.331 -8.671 4.071 109 HE3 LYS 12 2HE LYS 12 11.969 -8.515 3.437 110 HZ1 LYS 12 3HZ LYS 12 11.742 -6.926 5.137 111 HZ2 LYS 12 1HZ LYS 12 12.686 -8.165 5.794 112 HZ3 LYS 12 2HZ LYS 12 11.054 -8.036 6.211 113 H LYS 13 H LYS 13 12.701 -10.668 -0.903 114 HA LYS 13 HA LYS 13 14.311 -8.392 -1.095 115 HB2 LYS 13 3HB LYS 13 14.792 -9.153 -3.426 116 HB3 LYS 13 2HB LYS 13 13.505 -10.342 -3.267 117 HG2 LYS 13 3HG LYS 13 15.682 -11.364 -2.905 118 HG3 LYS 13 2HG LYS 13 14.714 -11.417 -1.430 119 HD2 LYS 13 3HD LYS 13 15.926 -9.415 -0.602 120 HD3 LYS 13 2HD LYS 13 16.939 -9.462 -2.046 121 HE2 LYS 13 3HE LYS 13 17.762 -11.675 -1.414 122 HE3 LYS 13 2HE LYS 13 16.729 -11.660 0.015 123 HZ1 LYS 13 3HZ LYS 13 19.011 -9.847 -0.538 124 HZ2 LYS 13 1HZ LYS 13 18.932 -11.052 0.643 125 HZ3 LYS 13 2HZ LYS 13 17.959 -9.675 0.774 126 H LEU 14 H LEU 14 11.284 -9.128 -2.824 127 HA LEU 14 HA LEU 14 11.195 -6.749 -4.352 128 HB2 LEU 14 3HB LEU 14 8.921 -8.516 -3.406 129 HB3 LEU 14 2HB LEU 14 9.875 -8.773 -4.851 130 HG LEU 14 HG LEU 14 8.976 -6.378 -5.520 131 HD11 LEU 14 1HD1 LEU 14 7.233 -8.844 -5.621 132 HD12 LEU 14 2HD1 LEU 14 8.540 -8.455 -6.740 133 HD13 LEU 14 3HD1 LEU 14 7.105 -7.432 -6.672 134 HD21 LEU 14 3HD2 LEU 14 6.691 -5.978 -4.726 135 HD22 LEU 14 1HD2 LEU 14 7.849 -5.900 -3.399 136 HD23 LEU 14 2HD2 LEU 14 6.837 -7.330 -3.601 137 H ILE 15 H ILE 15 9.922 -7.584 -1.160 138 HA ILE 15 HA ILE 15 8.484 -5.216 -0.662 139 HB ILE 15 HB ILE 15 9.846 -7.056 1.321 140 HG12 ILE 15 3HG1 ILE 15 8.196 -8.188 -0.140 141 HG13 ILE 15 2HG1 ILE 15 6.982 -7.000 0.320 142 HG21 ILE 15 1HG2 ILE 15 7.671 -5.005 1.770 143 HG22 ILE 15 2HG2 ILE 15 9.336 -4.899 2.339 144 HG23 ILE 15 3HG2 ILE 15 8.268 -6.150 2.972 145 HD11 ILE 15 3HD1 ILE 15 8.299 -8.987 2.160 146 HD12 ILE 15 1HD1 ILE 15 6.654 -9.063 1.526 147 HD13 ILE 15 2HD1 ILE 15 7.110 -7.774 2.639 148 H GLU 16 H GLU 16 11.858 -6.072 0.132 149 HA GLU 16 HA GLU 16 12.488 -3.692 1.500 150 HB2 GLU 16 3HB GLU 16 14.856 -4.309 1.107 151 HB3 GLU 16 2HB GLU 16 14.330 -5.554 -0.018 152 HG2 GLU 16 3HG GLU 16 14.921 -6.435 2.208 153 HG3 GLU 16 2HG GLU 16 13.257 -6.782 1.745 154 H GLU 17 H GLU 17 12.956 -4.573 -1.938 155 HA GLU 17 HA GLU 17 14.182 -2.265 -2.852 156 HB2 GLU 17 3HB GLU 17 13.029 -2.719 -5.042 157 HB3 GLU 17 2HB GLU 17 12.096 -3.971 -4.232 158 HG2 GLU 17 3HG GLU 17 13.965 -4.915 -5.471 159 HG3 GLU 17 2HG GLU 17 14.132 -5.205 -3.740 160 H ALA 18 H ALA 18 10.716 -2.829 -2.331 161 HA ALA 18 HA ALA 18 9.835 -0.258 -3.163 162 HB1 ALA 18 3HB ALA 18 8.336 -2.208 -2.961 163 HB2 ALA 18 1HB ALA 18 7.744 -0.817 -2.052 164 HB3 ALA 18 2HB ALA 18 8.524 -2.155 -1.209 165 H ARG 19 H ARG 19 10.586 -1.602 0.046 166 HA ARG 19 HA ARG 19 10.038 0.592 1.652 167 HB2 ARG 19 3HB ARG 19 11.931 -0.368 3.123 168 HB3 ARG 19 2HB ARG 19 12.095 -1.601 1.878 169 HG2 ARG 19 3HG ARG 19 9.658 -2.129 2.219 170 HG3 ARG 19 2HG ARG 19 9.697 -1.053 3.618 171 HD2 ARG 19 3HD ARG 19 11.105 -3.676 3.213 172 HD3 ARG 19 2HD ARG 19 10.055 -3.178 4.539 173 HE ARG 19 HE ARG 19 12.874 -2.505 4.184 174 HH11 ARG 19 1HH1 ARG 19 10.006 -2.208 6.072 175 HH12 ARG 19 2HH1 ARG 19 10.854 -1.625 7.458 176 HH21 ARG 19 2HH2 ARG 19 13.061 -1.384 7.397 177 HH22 ARG 19 1HH2 ARG 19 13.943 -1.778 5.966 178 H LYS 20 H LYS 20 12.963 -0.084 -0.212 179 HA LYS 20 HA LYS 20 14.602 1.963 0.770 180 HB2 LYS 20 3HB LYS 20 15.836 1.716 -1.391 181 HB3 LYS 20 2HB LYS 20 14.532 0.684 -1.972 182 HG2 LYS 20 3HG LYS 20 14.989 -0.846 -0.049 183 HG3 LYS 20 2HG LYS 20 16.402 0.141 0.327 184 HD2 LYS 20 3HD LYS 20 17.328 -0.340 -1.896 185 HD3 LYS 20 2HD LYS 20 15.915 -1.328 -2.268 186 HE2 LYS 20 3HE LYS 20 16.483 -2.836 -0.418 187 HE3 LYS 20 2HE LYS 20 17.904 -1.854 -0.059 188 HZ1 LYS 20 3HZ LYS 20 17.429 -3.277 -2.619 189 HZ2 LYS 20 1HZ LYS 20 18.440 -3.818 -1.378 190 HZ3 LYS 20 2HZ LYS 20 18.810 -2.395 -2.208 191 H MET 21 H MET 21 12.200 2.029 -1.846 192 HA MET 21 HA MET 21 12.731 4.763 -2.558 193 HB2 MET 21 3HB MET 21 10.404 4.513 -3.688 194 HB3 MET 21 2HB MET 21 10.524 2.822 -3.220 195 HG2 MET 21 3HG MET 21 11.276 3.109 -5.495 196 HG3 MET 21 2HG MET 21 12.633 2.641 -4.468 197 HE1 MET 21 3HE MET 21 10.972 6.189 -4.571 198 HE2 MET 21 1HE MET 21 10.843 5.681 -6.255 199 HE3 MET 21 2HE MET 21 11.922 7.004 -5.815 200 H ALA 22 H ALA 22 10.362 3.141 -0.471 201 HA ALA 22 HA ALA 22 8.797 5.349 0.216 202 HB1 ALA 22 3HB ALA 22 9.566 3.049 2.024 203 HB2 ALA 22 1HB ALA 22 8.262 3.017 0.835 204 HB3 ALA 22 2HB ALA 22 8.172 4.113 2.213 205 H GLU 23 H GLU 23 11.873 4.226 1.587 206 HA GLU 23 HA GLU 23 12.225 6.090 3.629 207 HB2 GLU 23 3HB GLU 23 14.697 5.780 3.197 208 HB3 GLU 23 2HB GLU 23 14.270 4.831 1.783 209 HG2 GLU 23 3HG GLU 23 14.803 3.351 3.588 210 HG3 GLU 23 2HG GLU 23 13.079 3.236 3.240 211 H LYS 24 H LYS 24 13.103 6.380 0.178 212 HA LYS 24 HA LYS 24 14.256 8.956 0.369 213 HB2 LYS 24 3HB LYS 24 14.012 9.060 -2.082 214 HB3 LYS 24 2HB LYS 24 12.974 7.645 -2.039 215 HG2 LYS 24 3HG LYS 24 15.292 7.171 -2.759 216 HG3 LYS 24 2HG LYS 24 14.783 6.242 -1.350 217 HD2 LYS 24 3HD LYS 24 17.097 7.127 -1.168 218 HD3 LYS 24 2HD LYS 24 16.028 7.667 0.124 219 HE2 LYS 24 3HE LYS 24 17.462 9.485 -0.708 220 HE3 LYS 24 2HE LYS 24 15.753 9.826 -0.953 221 HZ1 LYS 24 3HZ LYS 24 15.995 9.149 -3.272 222 HZ2 LYS 24 1HZ LYS 24 17.642 8.860 -3.032 223 HZ3 LYS 24 2HZ LYS 24 17.034 10.428 -2.892 224 H ALA 25 H ALA 25 10.969 7.906 -0.456 225 HA ALA 25 HA ALA 25 10.031 10.610 -0.870 226 HB1 ALA 25 3HB ALA 25 8.461 8.035 -0.670 227 HB2 ALA 25 1HB ALA 25 9.120 8.725 -2.156 228 HB3 ALA 25 2HB ALA 25 7.861 9.584 -1.267 229 H ASN 26 H ASN 26 10.698 8.847 1.870 230 HA ASN 26 HA ASN 26 10.323 9.152 4.087 231 HB2 ASN 26 3HB ASN 26 9.312 11.303 4.846 232 HB3 ASN 26 2HB ASN 26 8.945 11.690 3.167 233 HD21 ASN 26 2HD2 ASN 26 12.225 12.565 2.324 234 HD22 ASN 26 1HD2 ASN 26 10.656 12.139 1.747 235 H LEU 27 H LEU 27 8.406 7.699 2.382 236 HA LEU 27 HA LEU 27 5.842 8.090 3.757 237 HB2 LEU 27 3HB LEU 27 4.876 6.678 2.080 238 HB3 LEU 27 2HB LEU 27 6.453 6.134 1.541 239 HG LEU 27 HG LEU 27 6.933 8.286 0.562 240 HD11 LEU 27 1HD1 LEU 27 5.205 8.394 -1.165 241 HD12 LEU 27 2HD1 LEU 27 4.150 7.379 -0.181 242 HD13 LEU 27 3HD1 LEU 27 5.663 6.729 -0.814 243 HD21 LEU 27 3HD2 LEU 27 4.295 9.180 1.719 244 HD22 LEU 27 1HD2 LEU 27 5.276 10.114 0.589 245 HD23 LEU 27 2HD2 LEU 27 5.899 9.736 2.194 246 H GLU 28 H GLU 28 4.977 6.593 5.178 247 HA GLU 28 HA GLU 28 6.745 4.517 6.151 248 HB2 GLU 28 3HB GLU 28 3.942 5.256 7.017 249 HB3 GLU 28 2HB GLU 28 5.439 5.801 7.761 250 HG2 GLU 28 3HG GLU 28 5.942 3.340 8.191 251 HG3 GLU 28 2HG GLU 28 4.264 3.029 7.752 252 H LEU 29 H LEU 29 6.919 2.712 5.017 253 HA LEU 29 HA LEU 29 4.613 1.585 3.621 254 HB2 LEU 29 3HB LEU 29 7.523 0.750 3.629 255 HB3 LEU 29 2HB LEU 29 6.760 1.786 2.443 256 HG LEU 29 HG LEU 29 5.203 -0.297 2.028 257 HD11 LEU 29 1HD1 LEU 29 6.706 0.670 0.371 258 HD12 LEU 29 2HD1 LEU 29 6.759 -1.091 0.311 259 HD13 LEU 29 3HD1 LEU 29 8.070 -0.195 1.081 260 HD21 LEU 29 3HD2 LEU 29 7.665 -1.596 3.213 261 HD22 LEU 29 1HD2 LEU 29 6.399 -2.431 2.315 262 HD23 LEU 29 2HD2 LEU 29 6.028 -1.676 3.861 263 H ARG 30 H ARG 30 3.304 0.351 4.815 264 HA ARG 30 HA ARG 30 4.440 -1.444 6.843 265 HB2 ARG 30 3HB ARG 30 1.862 -1.762 7.319 266 HB3 ARG 30 2HB ARG 30 1.721 -0.259 6.419 267 HG2 ARG 30 3HG ARG 30 1.835 0.446 8.630 268 HG3 ARG 30 2HG ARG 30 3.489 0.656 8.056 269 HD2 ARG 30 3HD ARG 30 2.421 -1.616 9.740 270 HD3 ARG 30 2HD ARG 30 3.542 -0.355 10.247 271 HE ARG 30 HE ARG 30 5.123 -1.358 8.576 272 HH11 ARG 30 1HH1 ARG 30 2.700 -3.237 10.163 273 HH12 ARG 30 2HH1 ARG 30 3.516 -4.732 9.883 274 HH21 ARG 30 2HH2 ARG 30 5.458 -4.769 8.803 275 HH22 ARG 30 1HH2 ARG 30 6.163 -3.298 8.224 276 H THR 31 H THR 31 4.341 -3.605 6.717 277 HA THR 31 HA THR 31 3.653 -4.785 4.147 278 HB THR 31 HB THR 31 4.712 -6.839 5.084 279 HG1 THR 31 HG1 THR 31 4.271 -6.476 7.299 280 HG21 THR 31 3HG2 THR 31 6.055 -5.150 3.869 281 HG22 THR 31 1HG2 THR 31 6.993 -5.990 5.102 282 HG23 THR 31 2HG2 THR 31 6.408 -4.353 5.401 283 H VAL 32 H VAL 32 1.825 -5.831 3.751 284 HA VAL 32 HA VAL 32 0.108 -6.700 5.988 285 HB VAL 32 HB VAL 32 -0.575 -6.202 3.078 286 HG11 VAL 32 1HG1 VAL 32 -1.973 -7.986 3.945 287 HG12 VAL 32 2HG1 VAL 32 -2.929 -6.513 3.775 288 HG13 VAL 32 3HG1 VAL 32 -2.369 -7.022 5.369 289 HG21 VAL 32 3HG2 VAL 32 -1.842 -4.292 3.893 290 HG22 VAL 32 1HG2 VAL 32 -0.148 -4.154 4.368 291 HG23 VAL 32 2HG2 VAL 32 -1.359 -4.659 5.550 292 H LYS 33 H LYS 33 -0.771 -8.812 6.012 293 HA LYS 33 HA LYS 33 0.405 -10.719 4.090 294 HB2 LYS 33 3HB LYS 33 0.549 -12.369 5.963 295 HB3 LYS 33 2HB LYS 33 0.108 -11.078 7.077 296 HG2 LYS 33 3HG LYS 33 2.108 -9.835 6.458 297 HG3 LYS 33 2HG LYS 33 2.537 -11.083 5.287 298 HD2 LYS 33 3HD LYS 33 2.663 -12.722 7.157 299 HD3 LYS 33 2HD LYS 33 2.403 -11.389 8.287 300 HE2 LYS 33 3HE LYS 33 4.786 -11.922 8.063 301 HE3 LYS 33 2HE LYS 33 4.435 -10.294 7.483 302 HZ1 LYS 33 3HZ LYS 33 4.732 -12.686 5.745 303 HZ2 LYS 33 1HZ LYS 33 5.932 -11.523 6.000 304 HZ3 LYS 33 2HZ LYS 33 4.492 -11.096 5.223 305 H THR 34 H THR 34 -2.314 -10.172 6.338 306 HA THR 34 HA THR 34 -3.866 -12.173 4.799 307 HB THR 34 HB THR 34 -5.163 -12.699 6.752 308 HG1 THR 34 HG1 THR 34 -4.465 -11.590 8.810 309 HG21 THR 34 3HG2 THR 34 -2.239 -12.566 7.526 310 HG22 THR 34 1HG2 THR 34 -3.010 -13.865 6.614 311 HG23 THR 34 2HG2 THR 34 -3.460 -13.580 8.295 312 H GLU 35 H GLU 35 -6.237 -11.836 4.857 313 HA GLU 35 HA GLU 35 -7.168 -9.384 3.949 314 HB2 GLU 35 3HB GLU 35 -8.636 -11.606 5.401 315 HB3 GLU 35 2HB GLU 35 -8.377 -11.494 3.669 316 HG2 GLU 35 3HG GLU 35 -10.002 -9.510 5.242 317 HG3 GLU 35 2HG GLU 35 -10.677 -10.920 4.430 318 H ASP 36 H ASP 36 -7.173 -10.710 7.239 319 HA ASP 36 HA ASP 36 -8.500 -8.571 8.513 320 HB2 ASP 36 3HB ASP 36 -6.523 -10.571 9.642 321 HB3 ASP 36 2HB ASP 36 -8.264 -10.796 9.523 322 H GLU 37 H GLU 37 -5.038 -9.200 7.939 323 HA GLU 37 HA GLU 37 -3.964 -7.060 9.396 324 HB2 GLU 37 3HB GLU 37 -2.011 -7.230 7.823 325 HB3 GLU 37 2HB GLU 37 -2.943 -8.375 6.869 326 HG2 GLU 37 3HG GLU 37 -1.374 -9.533 8.296 327 HG3 GLU 37 2HG GLU 37 -3.028 -9.907 8.768 328 H LEU 38 H LEU 38 -4.923 -7.164 5.953 329 HA LEU 38 HA LEU 38 -4.271 -4.569 5.217 330 HB2 LEU 38 3HB LEU 38 -6.777 -5.968 4.271 331 HB3 LEU 38 2HB LEU 38 -5.185 -6.528 3.811 332 HG LEU 38 HG LEU 38 -6.026 -5.233 1.999 333 HD11 LEU 38 1HD1 LEU 38 -7.761 -3.990 3.205 334 HD12 LEU 38 2HD1 LEU 38 -6.784 -2.946 2.173 335 HD13 LEU 38 3HD1 LEU 38 -6.516 -2.959 3.915 336 HD21 LEU 38 3HD2 LEU 38 -4.374 -3.452 1.800 337 HD22 LEU 38 1HD2 LEU 38 -3.657 -4.903 2.499 338 HD23 LEU 38 2HD2 LEU 38 -4.059 -3.530 3.534 339 H LYS 39 H LYS 39 -7.445 -5.706 6.425 340 HA LYS 39 HA LYS 39 -8.699 -3.251 6.802 341 HB2 LYS 39 3HB LYS 39 -8.896 -5.822 8.380 342 HB3 LYS 39 2HB LYS 39 -9.908 -5.327 7.031 343 HG2 LYS 39 3HG LYS 39 -11.090 -3.781 8.310 344 HG3 LYS 39 2HG LYS 39 -9.836 -3.697 9.551 345 HD2 LYS 39 3HD LYS 39 -11.658 -6.051 9.014 346 HD3 LYS 39 2HD LYS 39 -11.774 -4.931 10.373 347 HE2 LYS 39 3HE LYS 39 -9.511 -5.638 11.103 348 HE3 LYS 39 2HE LYS 39 -9.484 -6.818 9.793 349 HZ1 LYS 39 3HZ LYS 39 -11.528 -7.785 10.802 350 HZ2 LYS 39 1HZ LYS 39 -11.288 -6.777 12.138 351 HZ3 LYS 39 2HZ LYS 39 -10.131 -7.949 11.740 352 H LYS 40 H LYS 40 -6.584 -5.035 9.001 353 HA LYS 40 HA LYS 40 -6.831 -3.609 11.346 354 HB2 LYS 40 3HB LYS 40 -4.421 -4.987 10.147 355 HB3 LYS 40 2HB LYS 40 -5.628 -5.702 11.202 356 HG2 LYS 40 3HG LYS 40 -4.862 -4.380 13.066 357 HG3 LYS 40 2HG LYS 40 -3.732 -3.509 12.024 358 HD2 LYS 40 3HD LYS 40 -2.541 -5.613 11.562 359 HD3 LYS 40 2HD LYS 40 -3.667 -6.478 12.609 360 HE2 LYS 40 3HE LYS 40 -1.793 -4.279 13.474 361 HE3 LYS 40 2HE LYS 40 -1.563 -6.002 13.754 362 HZ1 LYS 40 3HZ LYS 40 -2.446 -5.051 15.715 363 HZ2 LYS 40 1HZ LYS 40 -3.677 -5.972 15.015 364 HZ3 LYS 40 2HZ LYS 40 -3.700 -4.287 14.875 365 H TYR 41 H TYR 41 -4.414 -3.038 8.771 366 HA TYR 41 HA TYR 41 -3.294 -0.746 10.018 367 HB2 TYR 41 3HB TYR 41 -2.178 -0.361 7.837 368 HB3 TYR 41 2HB TYR 41 -3.193 -1.604 7.111 369 HD1 TYR 41 HD1 TYR 41 -0.873 -1.188 10.026 370 HD2 TYR 41 HD2 TYR 41 -2.292 -3.734 6.924 371 HE1 TYR 41 HE1 TYR 41 0.759 -2.900 10.690 372 HE2 TYR 41 HE2 TYR 41 -0.659 -5.450 7.578 373 HH TYR 41 HH TYR 41 0.980 -5.410 10.490 374 H LEU 42 H LEU 42 -5.880 -1.149 7.623 375 HA LEU 42 HA LEU 42 -6.250 1.569 6.991 376 HB2 LEU 42 3HB LEU 42 -8.612 0.885 6.436 377 HB3 LEU 42 2HB LEU 42 -8.233 -0.708 7.060 378 HG LEU 42 HG LEU 42 -6.581 -1.050 5.309 379 HD11 LEU 42 1HD1 LEU 42 -9.195 -0.017 4.200 380 HD12 LEU 42 2HD1 LEU 42 -8.897 -1.642 4.819 381 HD13 LEU 42 3HD1 LEU 42 -8.069 -1.086 3.365 382 HD21 LEU 42 3HD2 LEU 42 -7.297 1.737 4.375 383 HD22 LEU 42 1HD2 LEU 42 -6.255 0.599 3.518 384 HD23 LEU 42 2HD2 LEU 42 -5.758 1.239 5.086 385 H GLU 43 H GLU 43 -7.650 -0.395 9.615 386 HA GLU 43 HA GLU 43 -9.355 1.575 10.677 387 HB2 GLU 43 3HB GLU 43 -9.296 0.271 12.769 388 HB3 GLU 43 2HB GLU 43 -7.920 -0.645 12.165 389 HG2 GLU 43 3HG GLU 43 -9.240 -1.684 10.481 390 HG3 GLU 43 2HG GLU 43 -10.592 -0.596 10.778 391 H GLU 44 H GLU 44 -5.936 0.903 11.249 392 HA GLU 44 HA GLU 44 -5.517 2.814 13.292 393 HB2 GLU 44 3HB GLU 44 -3.553 1.767 11.235 394 HB3 GLU 44 2HB GLU 44 -3.947 0.973 12.753 395 HG2 GLU 44 3HG GLU 44 -3.038 2.872 13.995 396 HG3 GLU 44 2HG GLU 44 -2.654 3.684 12.477 397 H PHE 45 H PHE 45 -5.137 3.015 9.754 398 HA PHE 45 HA PHE 45 -4.160 5.657 9.658 399 HB2 PHE 45 3HB PHE 45 -4.836 5.615 7.266 400 HB3 PHE 45 2HB PHE 45 -5.702 4.110 7.562 401 HD1 PHE 45 HD1 PHE 45 -4.497 2.700 6.083 402 HD2 PHE 45 HD2 PHE 45 -2.413 4.987 9.014 403 HE1 PHE 45 HE1 PHE 45 -2.449 1.419 5.628 404 HE2 PHE 45 HE2 PHE 45 -0.363 3.708 8.557 405 HZ PHE 45 HZ PHE 45 -0.378 1.920 6.862 406 H ARG 46 H ARG 46 -7.423 4.428 9.928 407 HA ARG 46 HA ARG 46 -8.912 6.644 9.124 408 HB2 ARG 46 3HB ARG 46 -10.597 5.744 10.898 409 HB3 ARG 46 2HB ARG 46 -9.424 4.451 11.115 410 HG2 ARG 46 3HG ARG 46 -9.577 4.040 8.631 411 HG3 ARG 46 2HG ARG 46 -10.938 5.163 8.610 412 HD2 ARG 46 3HD ARG 46 -10.743 2.511 10.022 413 HD3 ARG 46 2HD ARG 46 -11.860 2.985 8.744 414 HE ARG 46 HE ARG 46 -12.322 4.683 10.896 415 HH11 ARG 46 1HH1 ARG 46 -12.599 1.308 10.195 416 HH12 ARG 46 2HH1 ARG 46 -13.869 1.074 11.339 417 HH21 ARG 46 2HH2 ARG 46 -14.628 2.771 12.535 418 HH22 ARG 46 1HH2 ARG 46 -13.946 4.352 12.348 419 H LYS 47 H LYS 47 -6.998 6.258 11.998 420 HA LYS 47 HA LYS 47 -8.136 8.225 13.657 421 HB2 LYS 47 3HB LYS 47 -5.821 8.402 14.627 422 HB3 LYS 47 2HB LYS 47 -5.260 7.337 13.346 423 HG2 LYS 47 3HG LYS 47 -6.876 5.617 14.180 424 HG3 LYS 47 2HG LYS 47 -7.197 6.678 15.552 425 HD2 LYS 47 3HD LYS 47 -4.551 5.419 14.811 426 HD3 LYS 47 2HD LYS 47 -5.566 5.012 16.192 427 HE2 LYS 47 3HE LYS 47 -3.904 6.347 17.128 428 HE3 LYS 47 2HE LYS 47 -5.244 7.468 16.901 429 HZ1 LYS 47 3HZ LYS 47 -4.195 8.353 14.949 430 HZ2 LYS 47 1HZ LYS 47 -2.977 7.181 15.002 431 HZ3 LYS 47 2HZ LYS 47 -3.069 8.363 16.205 432 H GLU 48 H GLU 48 -5.497 8.512 11.284 433 HA GLU 48 HA GLU 48 -5.560 11.430 11.491 434 HB2 GLU 48 3HB GLU 48 -3.549 11.201 9.906 435 HB3 GLU 48 2HB GLU 48 -3.656 9.473 10.204 436 HG2 GLU 48 3HG GLU 48 -3.159 11.623 12.265 437 HG3 GLU 48 2HG GLU 48 -1.974 10.487 11.627 438 H SER 49 H SER 49 -7.802 10.097 10.264 439 HA SER 49 HA SER 49 -7.660 10.036 7.441 440 HB2 SER 49 3HB SER 49 -9.382 8.796 8.566 441 HB3 SER 49 2HB SER 49 -10.169 10.008 7.557 442 HG SER 49 HG SER 49 -10.118 9.745 10.305 443 H GLN 50 H GLN 50 -7.264 12.727 9.212 444 HA GLN 50 HA GLN 50 -8.935 14.619 7.896 445 HB2 GLN 50 3HB GLN 50 -7.394 16.310 8.843 446 HB3 GLN 50 2HB GLN 50 -6.283 15.032 9.307 447 HG2 GLN 50 3HG GLN 50 -7.512 15.746 11.233 448 HG3 GLN 50 2HG GLN 50 -8.006 14.108 10.811 449 HE21 GLN 50 2HE2 GLN 50 -11.247 15.292 11.288 450 HE22 GLN 50 1HE2 GLN 50 -9.947 14.345 11.919 451 H ASN 51 H ASN 51 -5.468 13.823 7.487 452 HA ASN 51 HA ASN 51 -5.582 14.910 4.741 453 HB2 ASN 51 3HB ASN 51 -3.517 16.118 5.047 454 HB3 ASN 51 2HB ASN 51 -3.295 15.441 6.657 455 HD21 ASN 51 2HD2 ASN 51 -5.278 17.802 8.256 456 HD22 ASN 51 1HD2 ASN 51 -4.369 16.341 8.378 457 H ILE 52 H ILE 52 -5.601 12.127 5.588 458 HA ILE 52 HA ILE 52 -2.871 11.247 4.895 459 HB ILE 52 HB ILE 52 -3.825 10.405 7.042 460 HG12 ILE 52 3HG1 ILE 52 -2.047 9.184 5.821 461 HG13 ILE 52 2HG1 ILE 52 -3.277 8.266 4.959 462 HG21 ILE 52 1HG2 ILE 52 -5.730 8.882 5.258 463 HG22 ILE 52 2HG2 ILE 52 -6.162 10.195 6.353 464 HG23 ILE 52 3HG2 ILE 52 -5.550 8.674 7.001 465 HD11 ILE 52 3HD1 ILE 52 -4.031 7.296 7.070 466 HD12 ILE 52 1HD1 ILE 52 -2.789 8.211 7.927 467 HD13 ILE 52 2HD1 ILE 52 -2.326 6.969 6.764 468 H LYS 53 H LYS 53 -2.446 10.025 3.152 469 HA LYS 53 HA LYS 53 -4.695 8.957 1.550 470 HB2 LYS 53 3HB LYS 53 -3.443 9.396 -0.479 471 HB3 LYS 53 2HB LYS 53 -2.053 9.952 0.445 472 HG2 LYS 53 3HG LYS 53 -3.309 11.885 1.220 473 HG3 LYS 53 2HG LYS 53 -4.739 11.324 0.347 474 HD2 LYS 53 3HD LYS 53 -2.092 12.087 -0.901 475 HD3 LYS 53 2HD LYS 53 -3.548 13.082 -0.887 476 HE2 LYS 53 3HE LYS 53 -3.215 10.403 -2.240 477 HE3 LYS 53 2HE LYS 53 -3.331 11.977 -3.029 478 HZ1 LYS 53 3HZ LYS 53 -5.577 12.198 -2.110 479 HZ2 LYS 53 1HZ LYS 53 -5.459 10.650 -1.446 480 HZ3 LYS 53 2HZ LYS 53 -5.438 10.853 -3.120 481 H VAL 54 H VAL 54 -4.451 6.836 0.804 482 HA VAL 54 HA VAL 54 -2.095 5.413 1.889 483 HB VAL 54 HB VAL 54 -4.893 4.336 1.482 484 HG11 VAL 54 1HG1 VAL 54 -3.226 2.589 1.183 485 HG12 VAL 54 2HG1 VAL 54 -4.082 2.357 2.708 486 HG13 VAL 54 3HG1 VAL 54 -2.454 3.036 2.704 487 HG21 VAL 54 3HG2 VAL 54 -5.024 4.292 3.930 488 HG22 VAL 54 1HG2 VAL 54 -4.780 5.933 3.332 489 HG23 VAL 54 2HG2 VAL 54 -3.429 5.039 4.032 490 H LEU 55 H LEU 55 -0.878 4.209 0.585 491 HA LEU 55 HA LEU 55 -1.756 3.684 -2.187 492 HB2 LEU 55 3HB LEU 55 1.010 3.771 -0.963 493 HB3 LEU 55 2HB LEU 55 0.298 5.001 -1.989 494 HG LEU 55 HG LEU 55 0.942 2.181 -2.880 495 HD11 LEU 55 1HD1 LEU 55 0.573 3.043 -5.136 496 HD12 LEU 55 2HD1 LEU 55 0.099 4.606 -4.467 497 HD13 LEU 55 3HD1 LEU 55 -0.882 3.173 -4.148 498 HD21 LEU 55 3HD2 LEU 55 2.811 3.183 -4.101 499 HD22 LEU 55 1HD2 LEU 55 2.978 3.414 -2.360 500 HD23 LEU 55 2HD2 LEU 55 2.446 4.752 -3.381 501 H ILE 56 H ILE 56 -1.818 1.550 -2.949 502 HA ILE 56 HA ILE 56 -1.071 -0.572 -1.028 503 HB ILE 56 HB ILE 56 -3.569 -0.519 -2.741 504 HG12 ILE 56 3HG1 ILE 56 -3.713 0.947 -0.761 505 HG13 ILE 56 2HG1 ILE 56 -3.230 -0.392 0.275 506 HG21 ILE 56 1HG2 ILE 56 -2.610 -2.628 -0.797 507 HG22 ILE 56 2HG2 ILE 56 -2.622 -2.773 -2.555 508 HG23 ILE 56 3HG2 ILE 56 -4.143 -2.641 -1.673 509 HD11 ILE 56 3HD1 ILE 56 -5.626 0.013 0.376 510 HD12 ILE 56 1HD1 ILE 56 -5.273 -1.586 -0.281 511 HD13 ILE 56 2HD1 ILE 56 -5.755 -0.274 -1.358 512 H LEU 57 H LEU 57 0.277 -2.046 -1.835 513 HA LEU 57 HA LEU 57 0.414 -2.436 -4.766 514 HB2 LEU 57 3HB LEU 57 2.818 -3.197 -4.290 515 HB3 LEU 57 2HB LEU 57 2.631 -2.458 -2.714 516 HG LEU 57 HG LEU 57 3.846 -1.053 -4.378 517 HD11 LEU 57 1HD1 LEU 57 1.161 -0.877 -5.742 518 HD12 LEU 57 2HD1 LEU 57 2.596 -1.687 -6.370 519 HD13 LEU 57 3HD1 LEU 57 2.599 0.061 -6.147 520 HD21 LEU 57 3HD2 LEU 57 2.692 1.029 -3.875 521 HD22 LEU 57 1HD2 LEU 57 2.746 -0.019 -2.458 522 HD23 LEU 57 2HD2 LEU 57 1.255 0.132 -3.387 523 H VAL 58 H VAL 58 -0.343 -4.361 -5.347 524 HA VAL 58 HA VAL 58 0.103 -6.687 -3.566 525 HB VAL 58 HB VAL 58 -2.064 -7.600 -4.291 526 HG11 VAL 58 1HG1 VAL 58 -3.517 -6.111 -3.022 527 HG12 VAL 58 2HG1 VAL 58 -2.332 -4.811 -3.156 528 HG13 VAL 58 3HG1 VAL 58 -1.949 -6.262 -2.227 529 HG21 VAL 58 3HG2 VAL 58 -2.386 -4.954 -5.717 530 HG22 VAL 58 1HG2 VAL 58 -3.658 -6.154 -5.500 531 HG23 VAL 58 2HG2 VAL 58 -2.239 -6.544 -6.469 532 H SER 59 H SER 59 0.328 -8.736 -4.615 533 HA SER 59 HA SER 59 1.455 -8.582 -7.303 534 HB2 SER 59 3HB SER 59 2.705 -9.828 -5.616 535 HB3 SER 59 2HB SER 59 2.147 -10.938 -6.866 536 HG SER 59 HG SER 59 0.905 -11.911 -5.459 537 H ASN 60 H ASN 60 -1.175 -10.256 -5.619 538 HA ASN 60 HA ASN 60 -2.052 -11.586 -8.068 539 HB2 ASN 60 3HB ASN 60 -3.696 -12.692 -6.562 540 HB3 ASN 60 2HB ASN 60 -3.070 -11.732 -5.229 541 HD21 ASN 60 2HD2 ASN 60 -1.498 -15.088 -5.252 542 HD22 ASN 60 1HD2 ASN 60 -3.131 -14.529 -5.297 543 H ASP 61 H ASP 61 -3.965 -11.199 -9.136 544 HA ASP 61 HA ASP 61 -5.138 -8.633 -8.986 545 HB2 ASP 61 3HB ASP 61 -5.151 -9.755 -11.080 546 HB3 ASP 61 2HB ASP 61 -6.834 -9.613 -10.585 547 H GLU 62 H GLU 62 -6.230 -11.771 -7.713 548 HA GLU 62 HA GLU 62 -8.755 -10.879 -6.799 549 HB2 GLU 62 3HB GLU 62 -8.683 -12.874 -5.304 550 HB3 GLU 62 2HB GLU 62 -7.014 -13.138 -5.791 551 HG2 GLU 62 3HG GLU 62 -7.700 -13.510 -8.081 552 HG3 GLU 62 2HG GLU 62 -9.372 -13.132 -7.667 553 H GLU 63 H GLU 63 -5.586 -11.038 -5.175 554 HA GLU 63 HA GLU 63 -6.457 -10.038 -2.676 555 HB2 GLU 63 3HB GLU 63 -4.104 -9.597 -2.215 556 HB3 GLU 63 2HB GLU 63 -3.715 -9.714 -3.925 557 HG2 GLU 63 3HG GLU 63 -3.075 -11.717 -2.637 558 HG3 GLU 63 2HG GLU 63 -4.203 -12.057 -3.946 559 H LEU 64 H LEU 64 -5.463 -8.470 -5.664 560 HA LEU 64 HA LEU 64 -5.469 -5.784 -4.862 561 HB2 LEU 64 3HB LEU 64 -6.390 -6.991 -7.482 562 HB3 LEU 64 2HB LEU 64 -4.739 -6.561 -7.087 563 HG LEU 64 HG LEU 64 -7.008 -4.568 -7.296 564 HD11 LEU 64 1HD1 LEU 64 -4.020 -4.193 -7.081 565 HD12 LEU 64 2HD1 LEU 64 -5.217 -3.818 -5.840 566 HD13 LEU 64 3HD1 LEU 64 -5.200 -2.909 -7.350 567 HD21 LEU 64 3HD2 LEU 64 -6.558 -5.616 -9.464 568 HD22 LEU 64 1HD2 LEU 64 -4.846 -5.224 -9.304 569 HD23 LEU 64 2HD2 LEU 64 -6.039 -3.931 -9.445 570 H ASP 65 H ASP 65 -8.119 -7.838 -6.034 571 HA ASP 65 HA ASP 65 -10.170 -5.926 -5.844 572 HB2 ASP 65 3HB ASP 65 -10.413 -8.934 -5.594 573 HB3 ASP 65 2HB ASP 65 -10.329 -8.053 -7.118 574 H LYS 66 H LYS 66 -9.020 -8.346 -3.495 575 HA LYS 66 HA LYS 66 -10.911 -7.883 -1.483 576 HB2 LYS 66 3HB LYS 66 -9.225 -8.785 0.090 577 HB3 LYS 66 2HB LYS 66 -8.002 -8.657 -1.165 578 HG2 LYS 66 3HG LYS 66 -8.859 -10.947 -0.872 579 HG3 LYS 66 2HG LYS 66 -9.107 -10.319 -2.499 580 HD2 LYS 66 3HD LYS 66 -11.083 -11.516 -1.784 581 HD3 LYS 66 2HD LYS 66 -11.456 -9.797 -1.926 582 HE2 LYS 66 3HE LYS 66 -10.728 -11.074 0.698 583 HE3 LYS 66 2HE LYS 66 -12.384 -11.023 0.100 584 HZ1 LYS 66 3HZ LYS 66 -12.105 -9.177 1.507 585 HZ2 LYS 66 1HZ LYS 66 -12.096 -8.556 -0.067 586 HZ3 LYS 66 2HZ LYS 66 -10.644 -8.731 0.799 587 H ALA 67 H ALA 67 -7.804 -6.264 -2.079 588 HA ALA 67 HA ALA 67 -7.796 -4.573 0.159 589 HB1 ALA 67 3HB ALA 67 -6.619 -4.057 -2.577 590 HB2 ALA 67 1HB ALA 67 -5.837 -4.932 -1.258 591 HB3 ALA 67 2HB ALA 67 -6.191 -3.212 -1.087 592 H LYS 68 H LYS 68 -8.989 -3.898 -3.161 593 HA LYS 68 HA LYS 68 -9.940 -1.297 -2.545 594 HB2 LYS 68 3HB LYS 68 -9.552 -1.750 -4.834 595 HB3 LYS 68 2HB LYS 68 -11.290 -1.549 -4.676 596 HG2 LYS 68 3HG LYS 68 -11.605 -3.956 -4.735 597 HG3 LYS 68 2HG LYS 68 -9.860 -4.194 -4.811 598 HD2 LYS 68 3HD LYS 68 -10.486 -4.415 -7.035 599 HD3 LYS 68 2HD LYS 68 -9.979 -2.729 -6.949 600 HE2 LYS 68 3HE LYS 68 -12.025 -2.837 -8.194 601 HE3 LYS 68 2HE LYS 68 -12.366 -2.087 -6.636 602 HZ1 LYS 68 3HZ LYS 68 -14.019 -3.780 -7.350 603 HZ2 LYS 68 1HZ LYS 68 -13.322 -4.104 -5.844 604 HZ3 LYS 68 2HZ LYS 68 -12.821 -4.966 -7.207 605 H GLU 69 H GLU 69 -11.448 -4.471 -2.200 606 HA GLU 69 HA GLU 69 -14.094 -3.596 -1.749 607 HB2 GLU 69 3HB GLU 69 -14.317 -5.719 -0.370 608 HB3 GLU 69 2HB GLU 69 -12.602 -6.000 -0.649 609 HG2 GLU 69 3HG GLU 69 -12.985 -6.143 -3.038 610 HG3 GLU 69 2HG GLU 69 -14.696 -5.796 -2.800 611 H LEU 70 H LEU 70 -11.588 -4.394 0.685 612 HA LEU 70 HA LEU 70 -13.003 -3.490 2.919 613 HB2 LEU 70 3HB LEU 70 -10.732 -3.253 3.990 614 HB3 LEU 70 2HB LEU 70 -10.026 -3.621 2.428 615 HG LEU 70 HG LEU 70 -11.070 -5.852 2.468 616 HD11 LEU 70 1HD1 LEU 70 -9.712 -6.832 4.225 617 HD12 LEU 70 2HD1 LEU 70 -9.530 -5.254 4.997 618 HD13 LEU 70 3HD1 LEU 70 -8.823 -5.547 3.407 619 HD21 LEU 70 3HD2 LEU 70 -12.061 -5.071 5.215 620 HD22 LEU 70 1HD2 LEU 70 -12.204 -6.664 4.468 621 HD23 LEU 70 2HD2 LEU 70 -13.066 -5.286 3.779 622 H ALA 71 H ALA 71 -10.577 -1.742 0.977 623 HA ALA 71 HA ALA 71 -10.562 0.652 2.402 624 HB1 ALA 71 3HB ALA 71 -9.614 1.650 0.381 625 HB2 ALA 71 1HB ALA 71 -10.109 0.237 -0.551 626 HB3 ALA 71 2HB ALA 71 -8.899 0.075 0.723 627 H GLN 72 H GLN 72 -12.541 -0.177 -0.464 628 HA GLN 72 HA GLN 72 -13.862 2.306 -0.656 629 HB2 GLN 72 3HB GLN 72 -15.613 0.883 -1.943 630 HB3 GLN 72 2HB GLN 72 -14.499 -0.449 -1.682 631 HG2 GLN 72 3HG GLN 72 -12.754 0.701 -2.884 632 HG3 GLN 72 2HG GLN 72 -13.762 2.138 -3.045 633 HE21 GLN 72 2HE2 GLN 72 -14.248 -1.023 -5.527 634 HE22 GLN 72 1HE2 GLN 72 -13.249 -1.121 -4.122 635 H LYS 73 H LYS 73 -14.924 -0.732 0.900 636 HA LYS 73 HA LYS 73 -17.415 0.325 1.770 637 HB2 LYS 73 3HB LYS 73 -17.520 -1.678 3.236 638 HB3 LYS 73 2HB LYS 73 -15.851 -2.049 2.815 639 HG2 LYS 73 3HG LYS 73 -16.448 -2.401 0.512 640 HG3 LYS 73 2HG LYS 73 -18.091 -1.835 0.805 641 HD2 LYS 73 3HD LYS 73 -18.111 -4.232 0.657 642 HD3 LYS 73 2HD LYS 73 -18.457 -3.759 2.319 643 HE2 LYS 73 3HE LYS 73 -15.656 -4.444 1.488 644 HE3 LYS 73 2HE LYS 73 -16.814 -5.714 1.875 645 HZ1 LYS 73 3HZ LYS 73 -15.881 -3.554 3.680 646 HZ2 LYS 73 1HZ LYS 73 -15.587 -5.213 3.826 647 HZ3 LYS 73 2HZ LYS 73 -17.150 -4.604 4.050 648 H MET 74 H MET 74 -14.212 0.587 3.048 649 HA MET 74 HA MET 74 -15.209 1.742 5.559 650 HB2 MET 74 3HB MET 74 -12.794 1.812 6.200 651 HB3 MET 74 2HB MET 74 -12.393 1.100 4.641 652 HG2 MET 74 3HG MET 74 -13.871 -0.833 5.257 653 HG3 MET 74 2HG MET 74 -13.990 -0.141 6.872 654 HE1 MET 74 3HE MET 74 -11.994 0.040 8.571 655 HE2 MET 74 1HE MET 74 -11.060 0.984 7.411 656 HE3 MET 74 2HE MET 74 -10.332 -0.417 8.198 657 H GLU 75 H GLU 75 -14.730 2.783 2.503 658 HA GLU 75 HA GLU 75 -14.685 4.814 1.508 659 HB2 GLU 75 3HB GLU 75 -15.549 6.736 2.882 660 HB3 GLU 75 2HB GLU 75 -15.523 5.667 4.284 661 HG2 GLU 75 3HG GLU 75 -17.116 4.175 3.198 662 HG3 GLU 75 2HG GLU 75 -17.110 5.189 1.757 663 H ILE 76 H ILE 76 -12.156 3.890 2.460 664 HA ILE 76 HA ILE 76 -10.758 6.328 3.317 665 HB ILE 76 HB ILE 76 -9.698 3.506 2.989 666 HG12 ILE 76 3HG1 ILE 76 -11.363 3.703 4.798 667 HG13 ILE 76 2HG1 ILE 76 -10.463 5.049 5.488 668 HG21 ILE 76 1HG2 ILE 76 -7.729 4.294 4.205 669 HG22 ILE 76 2HG2 ILE 76 -8.402 5.924 4.263 670 HG23 ILE 76 3HG2 ILE 76 -7.952 5.210 2.715 671 HD11 ILE 76 3HD1 ILE 76 -8.574 3.564 5.916 672 HD12 ILE 76 1HD1 ILE 76 -9.489 2.216 5.243 673 HD13 ILE 76 2HD1 ILE 76 -10.047 3.012 6.715 674 H ASP 77 H ASP 77 -9.215 7.363 2.071 675 HA ASP 77 HA ASP 77 -9.325 7.033 -0.775 676 HB2 ASP 77 3HB ASP 77 -7.573 8.793 0.965 677 HB3 ASP 77 2HB ASP 77 -9.103 9.251 0.223 678 H VAL 78 H VAL 78 -8.286 5.404 -1.780 679 HA VAL 78 HA VAL 78 -5.534 4.741 -0.938 680 HB VAL 78 HB VAL 78 -5.960 2.354 -1.238 681 HG11 VAL 78 1HG1 VAL 78 -6.211 3.236 1.005 682 HG12 VAL 78 2HG1 VAL 78 -7.407 1.969 0.731 683 HG13 VAL 78 3HG1 VAL 78 -7.891 3.666 0.684 684 HG21 VAL 78 3HG2 VAL 78 -8.840 3.151 -1.707 685 HG22 VAL 78 1HG2 VAL 78 -8.250 1.498 -1.527 686 HG23 VAL 78 2HG2 VAL 78 -7.739 2.470 -2.907 687 H ARG 79 H ARG 79 -4.156 3.885 -2.533 688 HA ARG 79 HA ARG 79 -5.144 3.945 -5.322 689 HB2 ARG 79 3HB ARG 79 -2.581 4.112 -5.825 690 HB3 ARG 79 2HB ARG 79 -2.458 4.648 -4.159 691 HG2 ARG 79 3HG ARG 79 -4.154 5.975 -6.265 692 HG3 ARG 79 2HG ARG 79 -2.538 6.495 -5.792 693 HD2 ARG 79 3HD ARG 79 -3.362 6.843 -3.482 694 HD3 ARG 79 2HD ARG 79 -4.987 6.424 -4.032 695 HE ARG 79 HE ARG 79 -3.525 8.678 -5.238 696 HH11 ARG 79 1HH1 ARG 79 -6.261 7.443 -3.559 697 HH12 ARG 79 2HH1 ARG 79 -7.139 8.926 -3.659 698 HH21 ARG 79 2HH2 ARG 79 -6.259 10.661 -4.758 699 HH22 ARG 79 1HH2 ARG 79 -4.656 10.559 -5.403 700 H THR 80 H THR 80 -5.795 1.797 -5.471 701 HA THR 80 HA THR 80 -4.068 -0.368 -4.660 702 HB THR 80 HB THR 80 -5.801 -1.794 -5.881 703 HG1 THR 80 HG1 THR 80 -6.612 -0.100 -7.236 704 HG21 THR 80 3HG2 THR 80 -7.480 -1.517 -4.117 705 HG22 THR 80 1HG2 THR 80 -6.748 0.022 -3.659 706 HG23 THR 80 2HG2 THR 80 -5.840 -1.482 -3.464 707 H ARG 81 H ARG 81 -2.334 -0.947 -5.778 708 HA ARG 81 HA ARG 81 -2.464 -1.011 -8.736 709 HB2 ARG 81 3HB ARG 81 -0.076 -0.465 -8.807 710 HB3 ARG 81 2HB ARG 81 -0.021 -0.392 -7.053 711 HG2 ARG 81 3HG ARG 81 -0.045 1.835 -7.988 712 HG3 ARG 81 2HG ARG 81 -1.529 1.539 -7.081 713 HD2 ARG 81 3HD ARG 81 -2.788 1.225 -9.089 714 HD3 ARG 81 2HD ARG 81 -1.323 1.225 -10.074 715 HE ARG 81 HE ARG 81 -1.274 3.649 -8.860 716 HH11 ARG 81 1HH1 ARG 81 -3.667 2.012 -10.722 717 HH12 ARG 81 2HH1 ARG 81 -4.293 3.470 -11.405 718 HH21 ARG 81 2HH2 ARG 81 -3.396 5.436 -10.849 719 HH22 ARG 81 1HH2 ARG 81 -2.067 5.508 -9.746 720 H LYS 82 H LYS 82 -1.308 -2.730 -9.770 721 HA LYS 82 HA LYS 82 -0.660 -4.997 -7.977 722 HB2 LYS 82 3HB LYS 82 -1.583 -5.130 -10.859 723 HB3 LYS 82 2HB LYS 82 -2.635 -5.342 -9.466 724 HG2 LYS 82 3HG LYS 82 -1.372 -7.316 -8.789 725 HG3 LYS 82 2HG LYS 82 -0.277 -7.098 -10.155 726 HD2 LYS 82 3HD LYS 82 -3.251 -7.591 -10.386 727 HD3 LYS 82 2HD LYS 82 -2.004 -8.825 -10.572 728 HE2 LYS 82 3HE LYS 82 -1.072 -7.621 -12.477 729 HE3 LYS 82 2HE LYS 82 -2.282 -6.353 -12.284 730 HZ1 LYS 82 3HZ LYS 82 -2.866 -7.927 -14.026 731 HZ2 LYS 82 1HZ LYS 82 -4.007 -7.937 -12.776 732 HZ3 LYS 82 2HZ LYS 82 -2.877 -9.190 -12.904 733 H VAL 83 H VAL 83 1.392 -5.733 -8.007 734 HA VAL 83 HA VAL 83 3.213 -4.650 -10.054 735 HB VAL 83 HB VAL 83 5.033 -5.026 -8.440 736 HG11 VAL 83 1HG1 VAL 83 4.405 -3.257 -6.841 737 HG12 VAL 83 2HG1 VAL 83 2.722 -3.410 -7.349 738 HG13 VAL 83 3HG1 VAL 83 3.944 -2.854 -8.495 739 HG21 VAL 83 3HG2 VAL 83 2.839 -5.867 -6.528 740 HG22 VAL 83 1HG2 VAL 83 4.534 -5.614 -6.107 741 HG23 VAL 83 2HG2 VAL 83 4.084 -6.918 -7.205 742 H THR 84 H THR 84 4.380 -5.960 -11.348 743 HA THR 84 HA THR 84 4.111 -8.872 -11.055 744 HB THR 84 HB THR 84 4.997 -9.049 -13.311 745 HG1 THR 84 HG1 THR 84 6.316 -7.532 -13.950 746 HG21 THR 84 3HG2 THR 84 3.283 -7.800 -14.566 747 HG22 THR 84 1HG2 THR 84 2.935 -6.839 -13.127 748 HG23 THR 84 2HG2 THR 84 2.604 -8.572 -13.133 749 H SER 85 H SER 85 6.602 -6.379 -11.365 750 HA SER 85 HA SER 85 8.556 -8.196 -10.105 751 HB2 SER 85 3HB SER 85 10.329 -7.148 -11.524 752 HB3 SER 85 2HB SER 85 9.072 -6.265 -12.391 753 HG SER 85 HG SER 85 9.430 -9.084 -12.270 754 HA PRO 86 HA PRO 86 9.501 -5.252 -6.966 755 HB2 PRO 86 2HB PRO 86 12.300 -5.131 -8.037 756 HB3 PRO 86 3HB PRO 86 11.738 -5.376 -6.378 757 HG2 PRO 86 3HG PRO 86 11.176 -7.608 -6.757 758 HG3 PRO 86 2HG PRO 86 12.599 -7.441 -7.805 759 HD2 PRO 86 3HD PRO 86 10.194 -8.298 -8.730 760 HD3 PRO 86 2HD PRO 86 11.322 -7.364 -9.734 761 H ASP 87 H ASP 87 10.862 -4.348 -10.147 762 HA ASP 87 HA ASP 87 11.299 -1.629 -9.606 763 HB2 ASP 87 3HB ASP 87 12.291 -2.646 -11.547 764 HB3 ASP 87 2HB ASP 87 11.248 -1.333 -12.083 765 H GLU 88 H GLU 88 8.357 -3.317 -10.574 766 HA GLU 88 HA GLU 88 6.713 -1.141 -11.198 767 HB2 GLU 88 3HB GLU 88 4.842 -2.648 -10.276 768 HB3 GLU 88 2HB GLU 88 6.106 -3.815 -9.929 769 HG2 GLU 88 3HG GLU 88 5.094 -4.420 -11.992 770 HG3 GLU 88 2HG GLU 88 6.708 -3.804 -12.340 771 H ALA 89 H ALA 89 7.073 -2.773 -8.036 772 HA ALA 89 HA ALA 89 5.448 -1.101 -6.525 773 HB1 ALA 89 3HB ALA 89 6.642 -1.934 -4.569 774 HB2 ALA 89 1HB ALA 89 7.945 -2.527 -5.598 775 HB3 ALA 89 2HB ALA 89 6.334 -3.239 -5.715 776 H LYS 90 H LYS 90 8.961 -0.827 -7.066 777 HA LYS 90 HA LYS 90 9.448 1.464 -5.550 778 HB2 LYS 90 3HB LYS 90 11.467 1.747 -6.935 779 HB3 LYS 90 2HB LYS 90 10.813 0.630 -8.128 780 HG2 LYS 90 3HG LYS 90 10.845 -1.164 -6.436 781 HG3 LYS 90 2HG LYS 90 11.556 -0.040 -5.281 782 HD2 LYS 90 3HD LYS 90 12.859 -0.697 -7.921 783 HD3 LYS 90 2HD LYS 90 13.161 -1.619 -6.450 784 HE2 LYS 90 3HE LYS 90 14.926 -0.087 -6.538 785 HE3 LYS 90 2HE LYS 90 13.801 0.609 -5.375 786 HZ1 LYS 90 3HZ LYS 90 12.981 2.087 -7.103 787 HZ2 LYS 90 1HZ LYS 90 14.055 1.414 -8.221 788 HZ3 LYS 90 2HZ LYS 90 14.645 2.275 -6.893 789 H ARG 91 H ARG 91 8.475 1.185 -8.960 790 HA ARG 91 HA ARG 91 8.477 3.952 -9.537 791 HB2 ARG 91 3HB ARG 91 6.823 1.757 -10.813 792 HB3 ARG 91 2HB ARG 91 8.447 2.233 -11.299 793 HG2 ARG 91 3HG ARG 91 7.670 4.405 -11.981 794 HG3 ARG 91 2HG ARG 91 6.062 4.079 -11.336 795 HD2 ARG 91 3HD ARG 91 5.718 2.332 -12.993 796 HD3 ARG 91 2HD ARG 91 7.348 2.583 -13.620 797 HE ARG 91 HE ARG 91 6.648 4.745 -14.404 798 HH11 ARG 91 1HH1 ARG 91 4.097 2.621 -13.442 799 HH12 ARG 91 2HH1 ARG 91 2.884 3.566 -14.233 800 HH21 ARG 91 2HH2 ARG 91 3.439 5.389 -15.363 801 HH22 ARG 91 1HH2 ARG 91 5.088 5.913 -15.429 802 H TRP 92 H TRP 92 5.783 1.782 -8.630 803 HA TRP 92 HA TRP 92 3.746 3.689 -8.767 804 HB2 TRP 92 3HB TRP 92 2.497 2.092 -7.217 805 HB3 TRP 92 2HB TRP 92 3.965 1.119 -7.197 806 HD1 TRP 92 HD1 TRP 92 3.911 -0.785 -8.932 807 HE1 TRP 92 HE1 TRP 92 2.798 -1.171 -11.224 808 HE3 TRP 92 HE3 TRP 92 1.571 3.720 -9.445 809 HZ2 TRP 92 HZ2 TRP 92 1.127 0.259 -13.005 810 HZ3 TRP 92 HZ3 TRP 92 0.234 4.134 -11.454 811 HH2 TRP 92 HH2 TRP 92 0.015 2.442 -13.209 812 H ILE 93 H ILE 93 5.938 2.933 -6.098 813 HA ILE 93 HA ILE 93 4.704 4.584 -4.161 814 HB ILE 93 HB ILE 93 7.617 3.822 -4.479 815 HG12 ILE 93 3HG1 ILE 93 6.097 1.934 -4.070 816 HG13 ILE 93 2HG1 ILE 93 5.413 2.766 -2.677 817 HG21 ILE 93 1HG2 ILE 93 7.480 5.882 -3.186 818 HG22 ILE 93 2HG2 ILE 93 7.893 4.533 -2.128 819 HG23 ILE 93 3HG2 ILE 93 6.250 5.171 -2.142 820 HD11 ILE 93 3HD1 ILE 93 6.981 1.032 -2.019 821 HD12 ILE 93 1HD1 ILE 93 7.540 2.630 -1.525 822 HD13 ILE 93 2HD1 ILE 93 8.260 1.838 -2.927 823 H LYS 94 H LYS 94 7.201 5.296 -6.616 824 HA LYS 94 HA LYS 94 7.477 8.042 -6.026 825 HB2 LYS 94 3HB LYS 94 7.776 6.616 -8.681 826 HB3 LYS 94 2HB LYS 94 9.048 6.896 -7.497 827 HG2 LYS 94 3HG LYS 94 8.825 9.318 -7.838 828 HG3 LYS 94 2HG LYS 94 7.564 9.026 -9.036 829 HD2 LYS 94 3HD LYS 94 9.171 7.798 -10.431 830 HD3 LYS 94 2HD LYS 94 10.437 8.109 -9.239 831 HE2 LYS 94 3HE LYS 94 10.136 10.535 -9.586 832 HE3 LYS 94 2HE LYS 94 8.924 10.192 -10.818 833 HZ1 LYS 94 3HZ LYS 94 11.079 10.665 -11.791 834 HZ2 LYS 94 1HZ LYS 94 10.609 9.076 -12.129 835 HZ3 LYS 94 2HZ LYS 94 11.777 9.380 -10.943 836 H GLU 95 H GLU 95 5.351 6.410 -8.384 837 HA GLU 95 HA GLU 95 4.022 8.544 -9.507 838 HB2 GLU 95 3HB GLU 95 2.115 7.000 -9.851 839 HB3 GLU 95 2HB GLU 95 2.821 5.882 -8.692 840 HG2 GLU 95 3HG GLU 95 3.303 5.053 -10.858 841 HG3 GLU 95 2HG GLU 95 4.807 5.684 -10.191 842 H PHE 96 H PHE 96 3.124 6.822 -6.534 843 HA PHE 96 HA PHE 96 0.903 8.454 -5.867 844 HB2 PHE 96 3HB PHE 96 2.657 6.664 -4.169 845 HB3 PHE 96 2HB PHE 96 1.159 6.213 -4.970 846 HD1 PHE 96 HD1 PHE 96 2.616 7.367 -1.953 847 HD2 PHE 96 HD2 PHE 96 -0.984 7.481 -4.234 848 HE1 PHE 96 HE1 PHE 96 1.351 7.943 0.073 849 HE2 PHE 96 HE2 PHE 96 -2.249 8.059 -2.203 850 HZ PHE 96 HZ PHE 96 -1.079 8.290 -0.050 851 H SER 97 H SER 97 4.334 8.641 -5.054 852 HA SER 97 HA SER 97 4.084 10.681 -3.085 853 HB2 SER 97 3HB SER 97 6.466 9.856 -4.762 854 HB3 SER 97 2HB SER 97 6.061 9.268 -3.151 855 HG SER 97 HG SER 97 6.474 11.313 -2.326 856 H GLU 98 H GLU 98 4.471 10.765 -6.600 857 HA GLU 98 HA GLU 98 5.057 13.614 -6.570 858 HB2 GLU 98 3HB GLU 98 6.246 12.198 -8.159 859 HB3 GLU 98 2HB GLU 98 5.307 13.431 -8.986 860 HG2 GLU 98 3HG GLU 98 3.557 11.727 -9.435 861 HG3 GLU 98 2HG GLU 98 4.611 10.511 -8.716 862 H GLU 99 H GLU 99 2.201 11.654 -6.904 863 HA GLU 99 HA GLU 99 0.672 13.510 -8.427 864 HB2 GLU 99 3HB GLU 99 0.029 11.098 -8.034 865 HB3 GLU 99 2HB GLU 99 -1.270 12.267 -7.855 866 HG2 GLU 99 3HG GLU 99 -0.712 12.178 -5.332 867 HG3 GLU 99 2HG GLU 99 0.148 10.694 -5.733 868 H GLY 100 H GLY 100 1.400 13.239 -5.005 869 HA2 GLY 100 3HA GLY 100 0.525 15.931 -4.495 870 HA3 GLY 100 2HA GLY 100 1.161 14.798 -3.311 871 H GLY 101 H GLY 101 -1.747 15.245 -5.320 872 HA2 GLY 101 3HA GLY 101 -3.589 15.443 -3.234 873 HA3 GLY 101 2HA GLY 101 -3.471 13.739 -3.644 874 H SER 102 H SER 102 -3.960 13.112 -5.876 875 HA SER 102 HA SER 102 -5.060 14.869 -7.776 876 HB2 SER 102 3HB SER 102 -4.308 12.735 -8.537 877 HB3 SER 102 2HB SER 102 -6.051 12.765 -8.794 878 HG SER 102 HG SER 102 -4.539 11.180 -7.132 879 H LEU 103 H LEU 103 -7.056 15.656 -8.161 880 HA LEU 103 HA LEU 103 -8.968 15.537 -5.986 881 HB2 LEU 103 3HB LEU 103 -10.127 17.317 -7.210 882 HB3 LEU 103 2HB LEU 103 -9.076 17.065 -8.593 883 HG LEU 103 HG LEU 103 -7.138 17.805 -7.242 884 HD11 LEU 103 1HD1 LEU 103 -9.423 19.782 -7.277 885 HD12 LEU 103 2HD1 LEU 103 -8.344 19.420 -8.625 886 HD13 LEU 103 3HD1 LEU 103 -7.706 20.175 -7.165 887 HD21 LEU 103 3HD2 LEU 103 -7.954 17.162 -5.027 888 HD22 LEU 103 1HD2 LEU 103 -9.194 18.414 -5.112 889 HD23 LEU 103 2HD2 LEU 103 -7.489 18.861 -5.066 890 H GLU 104 H GLU 104 -8.909 14.704 -9.436 891 HA GLU 104 HA GLU 104 -11.541 13.425 -9.188 892 HB2 GLU 104 3HB GLU 104 -11.339 13.177 -11.699 893 HB3 GLU 104 2HB GLU 104 -9.871 14.138 -11.600 894 HG2 GLU 104 3HG GLU 104 -11.054 16.057 -10.893 895 HG3 GLU 104 2HG GLU 104 -12.521 15.127 -10.582 896 H HIS 105 H HIS 105 -11.883 11.312 -10.142 897 HA HIS 105 HA HIS 105 -9.522 9.566 -9.912 898 HB2 HIS 105 3HB HIS 105 -11.249 8.897 -8.382 899 HB3 HIS 105 2HB HIS 105 -11.177 7.701 -9.669 900 HD1 HIS 105 HD1 HIS 105 -13.338 7.150 -10.790 901 HD2 HIS 105 HD2 HIS 105 -13.530 10.722 -8.672 902 HE1 HIS 105 HE1 HIS 105 -15.745 7.854 -10.865 903 HE2 HIS 105 HE2 HIS 105 -15.862 9.886 -9.397 904 H HIS 106 H HIS 106 -10.476 11.245 -12.246 905 HA HIS 106 HA HIS 106 -11.125 9.408 -14.328 906 HB2 HIS 106 3HB HIS 106 -10.141 11.415 -15.767 907 HB3 HIS 106 2HB HIS 106 -10.279 12.274 -14.237 908 HD1 HIS 106 HD1 HIS 106 -12.148 13.799 -15.164 909 HD2 HIS 106 HD2 HIS 106 -13.090 9.751 -15.231 910 HE1 HIS 106 HE1 HIS 106 -14.595 13.686 -15.686 911 HE2 HIS 106 HE2 HIS 106 -15.176 11.244 -15.556 912 H HIS 107 H HIS 107 -9.516 7.784 -13.736 913 HA HIS 107 HA HIS 107 -7.429 7.836 -15.683 914 HB2 HIS 107 3HB HIS 107 -6.540 7.595 -12.791 915 HB3 HIS 107 2HB HIS 107 -6.306 9.029 -13.783 916 HD1 HIS 107 HD1 HIS 107 -4.261 9.092 -15.236 917 HD2 HIS 107 HD2 HIS 107 -5.016 5.296 -13.729 918 HE1 HIS 107 HE1 HIS 107 -2.282 7.700 -15.891 919 HE2 HIS 107 HE2 HIS 107 -2.666 5.482 -14.786 920 H HIS 108 H HIS 108 -8.810 6.100 -16.346 921 HA HIS 108 HA HIS 108 -8.628 3.667 -14.682 922 HB2 HIS 108 3HB HIS 108 -10.571 2.836 -15.995 923 HB3 HIS 108 2HB HIS 108 -10.615 4.368 -16.861 924 HD1 HIS 108 HD1 HIS 108 -11.929 6.224 -15.810 925 HD2 HIS 108 HD2 HIS 108 -11.196 3.104 -13.165 926 HE1 HIS 108 HE1 HIS 108 -13.244 6.768 -13.749 927 HE2 HIS 108 HE2 HIS 108 -12.937 4.782 -12.245 928 H HIS 109 H HIS 109 -6.668 2.829 -15.347 929 HA HIS 109 HA HIS 109 -6.140 2.305 -18.139 930 HB2 HIS 109 3HB HIS 109 -4.780 1.238 -15.642 931 HB3 HIS 109 2HB HIS 109 -4.274 2.648 -16.566 932 HD1 HIS 109 HD1 HIS 109 -3.220 2.200 -18.937 933 HD2 HIS 109 HD2 HIS 109 -3.903 -1.203 -16.644 934 HE1 HIS 109 HE1 HIS 109 -1.903 0.368 -20.037 935 HE2 HIS 109 HE2 HIS 109 -2.245 -1.651 -18.580 936 H HIS 110 H HIS 110 -8.008 1.200 -18.767 937 HA HIS 110 HA HIS 110 -9.322 -0.590 -19.231 938 HB2 HIS 110 3HB HIS 110 -7.332 -2.152 -17.559 939 HB3 HIS 110 2HB HIS 110 -7.352 -2.011 -19.313 940 HD1 HIS 110 HD1 HIS 110 -9.538 -3.112 -20.495 941 HD2 HIS 110 HD2 HIS 110 -8.737 -4.281 -16.589 942 HE1 HIS 110 HE1 HIS 110 -10.847 -5.218 -20.143 943 HE2 HIS 110 HE2 HIS 110 -10.443 -5.845 -17.744
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