NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24525 | 2k33 | 15737 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H ASP 1 1.806 0.000 0.856 2 HA ASP 1 HA ASP 1 2.995 -0.570 -1.075 3 HB2 ASP 1 HB2 ASP 1 1.805 -0.524 -3.299 4 HB3 ASP 1 HB3 ASP 1 1.200 -1.720 -2.156 5 H VAL 2 H VAL 2 2.889 1.880 0.256 6 HA VAL 2 HA VAL 2 3.491 3.700 -1.964 7 HB VAL 2 HB VAL 2 1.856 4.465 0.459 8 HG11 VAL 2 HG11 VAL 2 3.147 6.081 -1.707 9 HG12 VAL 2 HG12 VAL 2 1.692 6.658 -0.891 10 HG13 VAL 2 HG13 VAL 2 3.159 6.343 0.037 11 HG21 VAL 2 HG21 VAL 2 1.134 4.331 -2.467 12 HG22 VAL 2 HG22 VAL 2 0.542 3.265 -1.192 13 HG23 VAL 2 HG23 VAL 2 0.099 4.972 -1.190 14 H ILE 3 H ILE 3 5.109 5.211 -1.549 15 HA ILE 3 HA ILE 3 6.598 4.778 0.959 16 HB ILE 3 HB ILE 3 7.748 5.564 -1.720 17 HG12 ILE 3 HG12 ILE 3 7.789 2.915 -0.259 18 HG13 ILE 3 HG13 ILE 3 6.966 3.258 -1.776 19 HG21 ILE 3 HG21 ILE 3 9.898 5.311 -0.698 20 HG22 ILE 3 HG22 ILE 3 8.940 6.402 0.301 21 HG23 ILE 3 HG23 ILE 3 9.172 4.727 0.799 22 HD11 ILE 3 HD11 ILE 3 9.666 2.433 -1.318 23 HD12 ILE 3 HD12 ILE 3 8.780 2.579 -2.837 24 HD13 ILE 3 HD13 ILE 3 9.640 3.971 -2.180 25 H ILE 4 H ILE 4 7.156 6.511 2.154 26 HA ILE 4 HA ILE 4 5.944 9.033 1.567 27 HB ILE 4 HB ILE 4 7.850 8.223 3.764 28 HG12 ILE 4 HG12 ILE 4 4.880 8.776 3.883 29 HG13 ILE 4 HG13 ILE 4 5.566 7.163 3.714 30 HG21 ILE 4 HG21 ILE 4 6.528 10.439 4.663 31 HG22 ILE 4 HG22 ILE 4 8.168 10.424 4.016 32 HG23 ILE 4 HG23 ILE 4 6.811 10.836 2.969 33 HD11 ILE 4 HD11 ILE 4 4.887 8.165 6.057 34 HD12 ILE 4 HD12 ILE 4 6.274 7.092 5.868 35 HD13 ILE 4 HD13 ILE 4 6.515 8.836 5.967 36 H LYS 5 H LYS 5 6.757 10.589 0.344 37 HA LYS 5 HA LYS 5 9.678 10.900 0.194 38 HB2 LYS 5 HB2 LYS 5 7.919 11.418 -2.186 39 HB3 LYS 5 HB3 LYS 5 9.659 11.167 -2.137 40 HG2 LYS 5 HG2 LYS 5 7.677 9.013 -1.459 41 HG3 LYS 5 HG3 LYS 5 8.295 9.282 -3.091 42 HD2 LYS 5 HD2 LYS 5 10.527 9.231 -1.364 43 HD3 LYS 5 HD3 LYS 5 9.500 7.867 -0.914 44 HE2 LYS 5 HE2 LYS 5 10.266 8.456 -3.763 45 HE3 LYS 5 HE3 LYS 5 11.246 7.439 -2.707 46 HZ1 LYS 5 HZ1 LYS 5 9.502 5.883 -2.510 47 HZ2 LYS 5 HZ2 LYS 5 9.616 6.241 -4.159 48 HZ3 LYS 5 HZ3 LYS 5 8.376 6.919 -3.231 49 HA PRO 6 HA PRO 6 8.879 15.110 1.201 50 HB2 PRO 6 HB2 PRO 6 11.165 16.224 0.252 51 HB3 PRO 6 HB3 PRO 6 11.111 15.252 1.727 52 HG2 PRO 6 HG2 PRO 6 11.947 14.456 -1.035 53 HG3 PRO 6 HG3 PRO 6 12.705 14.066 0.519 54 HD2 PRO 6 HD2 PRO 6 11.114 12.320 -0.804 55 HD3 PRO 6 HD3 PRO 6 11.208 12.373 0.968 56 H GLN 7 H GLN 7 9.579 17.358 -0.087 57 HA GLN 7 HA GLN 7 8.302 17.116 -2.732 58 HB2 GLN 7 HB2 GLN 7 6.859 18.207 -1.034 59 HB3 GLN 7 HB3 GLN 7 8.094 19.438 -0.808 60 HG2 GLN 7 HG2 GLN 7 7.427 20.579 -2.592 61 HG3 GLN 7 HG3 GLN 7 7.346 19.129 -3.592 62 HE21 GLN 7 HE21 GLN 7 5.599 20.114 -0.669 63 HE22 GLN 7 HE22 GLN 7 4.020 19.969 -1.355 64 H VAL 8 H VAL 8 11.125 17.816 -1.173 65 HA VAL 8 HA VAL 8 12.222 19.094 -3.531 66 HB VAL 8 HB VAL 8 13.353 20.874 -2.145 67 HG11 VAL 8 HG11 VAL 8 10.347 21.040 -2.332 68 HG12 VAL 8 HG12 VAL 8 11.469 22.400 -2.249 69 HG13 VAL 8 HG13 VAL 8 11.470 21.339 -3.658 70 HG21 VAL 8 HG21 VAL 8 13.082 20.103 0.066 71 HG22 VAL 8 HG22 VAL 8 12.040 21.520 -0.068 72 HG23 VAL 8 HG23 VAL 8 11.341 19.902 -0.132 73 H SER 9 H SER 9 14.687 19.675 -2.894 74 HA SER 9 HA SER 9 15.747 17.265 -1.567 75 HB2 SER 9 HB2 SER 9 17.709 18.359 -3.309 76 HB3 SER 9 HB3 SER 9 16.866 16.816 -3.453 77 HG SER 9 HG SER 9 16.638 18.333 -5.263 78 H GLY 10 H GLY 10 16.984 17.591 0.161 79 HA2 GLY 10 HA2 GLY 10 18.768 19.833 0.371 80 HA3 GLY 10 HA3 GLY 10 17.377 19.974 1.435 81 H VAL 11 H VAL 11 17.823 19.369 3.435 82 HA VAL 11 HA VAL 11 19.325 16.898 3.877 83 HB VAL 11 HB VAL 11 19.993 19.430 5.376 84 HG11 VAL 11 HG11 VAL 11 20.595 16.631 5.757 85 HG12 VAL 11 HG12 VAL 11 22.067 17.586 5.573 86 HG13 VAL 11 HG13 VAL 11 20.895 18.002 6.824 87 HG21 VAL 11 HG21 VAL 11 22.087 19.462 4.120 88 HG22 VAL 11 HG22 VAL 11 21.543 18.083 3.165 89 HG23 VAL 11 HG23 VAL 11 20.700 19.627 3.044 90 H ILE 12 H ILE 12 18.612 15.724 5.580 91 HA ILE 12 HA ILE 12 16.099 16.184 6.675 92 HB ILE 12 HB ILE 12 18.303 14.507 7.879 93 HG12 ILE 12 HG12 ILE 12 17.801 13.959 5.505 94 HG13 ILE 12 HG13 ILE 12 17.385 12.655 6.611 95 HG21 ILE 12 HG21 ILE 12 16.399 13.214 8.829 96 HG22 ILE 12 HG22 ILE 12 16.547 14.849 9.470 97 HG23 ILE 12 HG23 ILE 12 15.315 14.483 8.262 98 HD11 ILE 12 HD11 ILE 12 15.771 13.611 4.660 99 HD12 ILE 12 HD12 ILE 12 15.213 12.757 6.099 100 HD13 ILE 12 HD13 ILE 12 15.200 14.520 6.058 101 H VAL 13 H VAL 13 15.347 17.128 8.506 102 HA VAL 13 HA VAL 13 17.311 18.609 10.128 103 HB VAL 13 HB VAL 13 14.389 19.297 9.951 104 HG11 VAL 13 HG11 VAL 13 16.495 20.231 11.515 105 HG12 VAL 13 HG12 VAL 13 16.265 21.467 10.276 106 HG13 VAL 13 HG13 VAL 13 14.915 20.983 11.303 107 HG21 VAL 13 HG21 VAL 13 14.979 19.460 7.700 108 HG22 VAL 13 HG22 VAL 13 15.222 21.096 8.312 109 HG23 VAL 13 HG23 VAL 13 16.606 20.031 8.069 110 H ASN 14 H ASN 14 14.405 16.619 10.230 111 HA ASN 14 HA ASN 14 15.089 15.525 12.759 112 HB2 ASN 14 HB2 ASN 14 14.009 17.917 13.160 113 HB3 ASN 14 HB3 ASN 14 12.511 17.019 12.936 114 HD21 ASN 14 HD21 ASN 14 11.854 17.275 15.044 115 HD22 ASN 14 HD22 ASN 14 12.617 16.467 16.367 116 H LYS 15 H LYS 15 13.101 14.229 13.642 117 HA LYS 15 HA LYS 15 11.356 13.305 11.494 118 HB2 LYS 15 HB2 LYS 15 11.934 10.928 11.984 119 HB3 LYS 15 HB3 LYS 15 13.244 11.838 11.242 120 HG2 LYS 15 HG2 LYS 15 13.948 12.218 13.751 121 HG3 LYS 15 HG3 LYS 15 13.011 10.741 13.992 122 HD2 LYS 15 HD2 LYS 15 15.117 10.934 11.860 123 HD3 LYS 15 HD3 LYS 15 15.527 10.514 13.525 124 HE2 LYS 15 HE2 LYS 15 13.468 8.828 13.099 125 HE3 LYS 15 HE3 LYS 15 14.108 8.953 11.461 126 HZ1 LYS 15 HZ1 LYS 15 16.139 8.074 12.102 127 HZ2 LYS 15 HZ2 LYS 15 15.038 7.149 12.993 128 HZ3 LYS 15 HZ3 LYS 15 15.895 8.400 13.744 129 H LEU 16 H LEU 16 9.412 13.566 12.381 130 HA LEU 16 HA LEU 16 9.036 12.949 15.222 131 HB2 LEU 16 HB2 LEU 16 6.863 14.121 13.576 132 HB3 LEU 16 HB3 LEU 16 7.292 14.420 15.259 133 HG LEU 16 HG LEU 16 8.711 15.520 12.833 134 HD11 LEU 16 HD11 LEU 16 7.433 17.246 14.867 135 HD12 LEU 16 HD12 LEU 16 6.364 16.378 13.766 136 HD13 LEU 16 HD13 LEU 16 7.593 17.467 13.124 137 HD21 LEU 16 HD21 LEU 16 10.181 15.010 14.794 138 HD22 LEU 16 HD22 LEU 16 9.211 16.141 15.739 139 HD23 LEU 16 HD23 LEU 16 10.121 16.713 14.339 140 H PHE 17 H PHE 17 9.357 10.654 14.039 141 HA PHE 17 HA PHE 17 6.679 9.501 14.005 142 HB2 PHE 17 HB2 PHE 17 6.778 8.556 11.915 143 HB3 PHE 17 HB3 PHE 17 7.697 10.027 11.610 144 HD1 PHE 17 HD1 PHE 17 10.264 9.854 11.909 145 HD2 PHE 17 HD2 PHE 17 7.691 6.503 11.392 146 HE1 PHE 17 HE1 PHE 17 12.180 8.504 11.161 147 HE2 PHE 17 HE2 PHE 17 9.603 5.147 10.644 148 HZ PHE 17 HZ PHE 17 11.851 6.146 10.529 149 H LYS 18 H LYS 18 6.880 7.013 13.891 150 HA LYS 18 HA LYS 18 9.253 6.140 15.399 151 HB2 LYS 18 HB2 LYS 18 6.347 5.656 15.998 152 HB3 LYS 18 HB3 LYS 18 7.584 4.540 16.564 153 HG2 LYS 18 HG2 LYS 18 7.756 7.474 17.142 154 HG3 LYS 18 HG3 LYS 18 6.797 6.387 18.150 155 HD2 LYS 18 HD2 LYS 18 8.798 5.011 18.538 156 HD3 LYS 18 HD3 LYS 18 9.748 6.134 17.562 157 HE2 LYS 18 HE2 LYS 18 9.779 7.725 19.182 158 HE3 LYS 18 HE3 LYS 18 8.180 7.296 19.786 159 HZ1 LYS 18 HZ1 LYS 18 10.535 6.686 20.982 160 HZ2 LYS 18 HZ2 LYS 18 10.135 5.237 20.207 161 HZ3 LYS 18 HZ3 LYS 18 9.052 5.937 21.302 162 H ALA 19 H ALA 19 9.679 3.825 15.277 163 HA ALA 19 HA ALA 19 9.144 2.822 12.604 164 HB1 ALA 19 HB1 ALA 19 10.696 1.068 14.318 165 HB2 ALA 19 HB2 ALA 19 11.123 1.812 12.776 166 HB3 ALA 19 HB3 ALA 19 11.339 2.710 14.279 167 H GLY 20 H GLY 20 7.268 1.785 12.327 168 HA2 GLY 20 HA2 GLY 20 6.052 -0.257 12.515 169 HA3 GLY 20 HA3 GLY 20 6.651 -0.426 14.159 170 H ASP 21 H ASP 21 5.660 2.728 13.522 171 HA ASP 21 HA ASP 21 3.208 2.283 15.060 172 HB2 ASP 21 HB2 ASP 21 5.222 4.193 15.267 173 HB3 ASP 21 HB3 ASP 21 3.878 5.064 14.532 174 H LYS 22 H LYS 22 1.507 4.132 14.485 175 HA LYS 22 HA LYS 22 0.873 3.707 11.658 176 HB2 LYS 22 HB2 LYS 22 -0.742 4.326 14.100 177 HB3 LYS 22 HB3 LYS 22 -1.382 4.752 12.518 178 HG2 LYS 22 HG2 LYS 22 -0.817 2.279 11.929 179 HG3 LYS 22 HG3 LYS 22 -0.841 2.060 13.680 180 HD2 LYS 22 HD2 LYS 22 -3.111 3.582 12.617 181 HD3 LYS 22 HD3 LYS 22 -3.026 1.912 12.053 182 HE2 LYS 22 HE2 LYS 22 -4.249 1.672 13.987 183 HE3 LYS 22 HE3 LYS 22 -2.613 1.388 14.579 184 HZ1 LYS 22 HZ1 LYS 22 -2.647 3.910 15.035 185 HZ2 LYS 22 HZ2 LYS 22 -3.456 2.877 16.101 186 HZ3 LYS 22 HZ3 LYS 22 -4.329 3.753 14.946 187 H VAL 23 H VAL 23 -0.175 5.510 10.479 188 HA VAL 23 HA VAL 23 0.953 8.117 11.271 189 HB VAL 23 HB VAL 23 1.157 8.633 8.839 190 HG11 VAL 23 HG11 VAL 23 3.076 7.894 10.205 191 HG12 VAL 23 HG12 VAL 23 2.747 6.228 9.726 192 HG13 VAL 23 HG13 VAL 23 3.220 7.419 8.513 193 HG21 VAL 23 HG21 VAL 23 1.262 6.589 7.331 194 HG22 VAL 23 HG22 VAL 23 0.385 5.737 8.601 195 HG23 VAL 23 HG23 VAL 23 -0.345 7.135 7.812 196 H LYS 24 H LYS 24 -0.143 9.915 9.857 197 HA LYS 24 HA LYS 24 -3.012 9.395 9.566 198 HB2 LYS 24 HB2 LYS 24 -3.088 10.313 11.698 199 HB3 LYS 24 HB3 LYS 24 -1.721 11.378 11.399 200 HG2 LYS 24 HG2 LYS 24 -3.654 12.737 11.539 201 HG3 LYS 24 HG3 LYS 24 -3.188 12.675 9.837 202 HD2 LYS 24 HD2 LYS 24 -4.869 10.616 9.853 203 HD3 LYS 24 HD3 LYS 24 -5.552 11.512 11.212 204 HE2 LYS 24 HE2 LYS 24 -5.007 12.723 8.507 205 HE3 LYS 24 HE3 LYS 24 -6.562 12.037 8.977 206 HZ1 LYS 24 HZ1 LYS 24 -6.034 13.713 11.014 207 HZ2 LYS 24 HZ2 LYS 24 -6.995 14.100 9.677 208 HZ3 LYS 24 HZ3 LYS 24 -5.366 14.557 9.709 209 H LYS 25 H LYS 25 -4.070 10.709 8.081 210 HA LYS 25 HA LYS 25 -2.600 11.614 5.893 211 HB2 LYS 25 HB2 LYS 25 -5.167 11.057 6.216 212 HB3 LYS 25 HB3 LYS 25 -5.286 12.795 6.452 213 HG2 LYS 25 HG2 LYS 25 -3.972 12.952 4.234 214 HG3 LYS 25 HG3 LYS 25 -4.471 11.274 4.011 215 HD2 LYS 25 HD2 LYS 25 -6.600 13.144 4.825 216 HD3 LYS 25 HD3 LYS 25 -5.929 13.405 3.213 217 HE2 LYS 25 HE2 LYS 25 -7.009 11.635 2.404 218 HE3 LYS 25 HE3 LYS 25 -6.392 10.600 3.691 219 HZ1 LYS 25 HZ1 LYS 25 -8.180 11.304 5.111 220 HZ2 LYS 25 HZ2 LYS 25 -8.828 10.732 3.658 221 HZ3 LYS 25 HZ3 LYS 25 -8.742 12.397 3.948 222 H GLY 26 H GLY 26 -1.021 13.098 6.313 223 HA2 GLY 26 HA2 GLY 26 -0.489 15.420 6.150 224 HA3 GLY 26 HA3 GLY 26 -1.970 15.787 7.023 225 H GLN 27 H GLN 27 -0.190 13.193 8.320 226 HA GLN 27 HA GLN 27 0.496 14.804 10.637 227 HB2 GLN 27 HB2 GLN 27 -0.395 12.215 10.334 228 HB3 GLN 27 HB3 GLN 27 1.315 11.995 10.677 229 HG2 GLN 27 HG2 GLN 27 0.710 13.775 12.582 230 HG3 GLN 27 HG3 GLN 27 -0.856 12.984 12.407 231 HE21 GLN 27 HE21 GLN 27 -0.082 10.415 11.825 232 HE22 GLN 27 HE22 GLN 27 0.723 9.732 13.192 233 H THR 28 H THR 28 2.463 15.554 11.076 234 HA THR 28 HA THR 28 4.581 15.385 9.238 235 HB THR 28 HB THR 28 5.121 16.031 12.109 236 HG1 THR 28 HG1 THR 28 3.308 17.209 11.936 237 HG21 THR 28 HG21 THR 28 6.217 16.683 9.458 238 HG22 THR 28 HG22 THR 28 7.020 16.586 11.026 239 HG23 THR 28 HG23 THR 28 6.127 18.040 10.580 240 H LEU 29 H LEU 29 6.377 14.130 9.114 241 HA LEU 29 HA LEU 29 6.834 12.132 11.213 242 HB2 LEU 29 HB2 LEU 29 6.840 11.504 8.266 243 HB3 LEU 29 HB3 LEU 29 7.142 10.376 9.586 244 HG LEU 29 HG LEU 29 4.505 11.784 9.308 245 HD11 LEU 29 HD11 LEU 29 4.354 10.755 7.301 246 HD12 LEU 29 HD12 LEU 29 3.958 9.364 8.309 247 HD13 LEU 29 HD13 LEU 29 5.597 9.566 7.691 248 HD21 LEU 29 HD21 LEU 29 4.751 9.035 10.333 249 HD22 LEU 29 HD22 LEU 29 3.787 10.388 10.925 250 HD23 LEU 29 HD23 LEU 29 5.504 10.289 11.319 251 H PHE 30 H PHE 30 8.052 13.865 8.398 252 HA PHE 30 HA PHE 30 10.752 13.663 9.531 253 HB2 PHE 30 HB2 PHE 30 9.855 12.890 6.796 254 HB3 PHE 30 HB3 PHE 30 11.424 13.670 6.956 255 HD1 PHE 30 HD1 PHE 30 9.439 10.705 7.788 256 HD2 PHE 30 HD2 PHE 30 13.268 12.552 8.007 257 HE1 PHE 30 HE1 PHE 30 10.440 8.548 8.418 258 HE2 PHE 30 HE2 PHE 30 14.275 10.397 8.637 259 HZ PHE 30 HZ PHE 30 12.861 8.391 8.842 260 H ILE 31 H ILE 31 12.251 15.255 8.276 261 HA ILE 31 HA ILE 31 10.891 17.644 7.346 262 HB ILE 31 HB ILE 31 12.678 17.748 9.779 263 HG12 ILE 31 HG12 ILE 31 9.701 18.197 9.473 264 HG13 ILE 31 HG13 ILE 31 10.476 16.883 10.351 265 HG21 ILE 31 HG21 ILE 31 12.935 19.674 8.287 266 HG22 ILE 31 HG22 ILE 31 11.196 19.951 8.350 267 HG23 ILE 31 HG23 ILE 31 12.170 20.127 9.809 268 HD11 ILE 31 HD11 ILE 31 11.526 19.201 11.467 269 HD12 ILE 31 HD12 ILE 31 9.811 19.538 11.229 270 HD13 ILE 31 HD13 ILE 31 10.311 18.132 12.168 271 H ILE 32 H ILE 32 12.115 18.843 5.973 272 HA ILE 32 HA ILE 32 14.990 18.302 5.812 273 HB ILE 32 HB ILE 32 13.014 17.955 3.576 274 HG12 ILE 32 HG12 ILE 32 15.373 16.210 3.859 275 HG13 ILE 32 HG13 ILE 32 14.246 16.152 5.211 276 HG21 ILE 32 HG21 ILE 32 15.315 17.721 2.254 277 HG22 ILE 32 HG22 ILE 32 14.435 19.244 2.366 278 HG23 ILE 32 HG23 ILE 32 15.803 18.937 3.435 279 HD11 ILE 32 HD11 ILE 32 12.730 16.028 2.829 280 HD12 ILE 32 HD12 ILE 32 14.062 14.881 2.687 281 HD13 ILE 32 HD13 ILE 32 12.958 14.783 4.058 282 H GLU 33 H GLU 33 16.177 20.081 5.464 283 HA GLU 33 HA GLU 33 14.750 22.591 4.986 284 HB2 GLU 33 HB2 GLU 33 16.083 22.786 6.903 285 HB3 GLU 33 HB3 GLU 33 17.422 21.910 6.175 286 HG2 GLU 33 HG2 GLU 33 16.726 24.381 4.781 287 HG3 GLU 33 HG3 GLU 33 17.261 24.616 6.444 288 H GLN 34 H GLN 34 15.042 23.815 3.210 289 HA GLN 34 HA GLN 34 17.280 23.293 1.423 290 HB2 GLN 34 HB2 GLN 34 15.925 22.911 -0.520 291 HB3 GLN 34 HB3 GLN 34 15.438 21.762 0.718 292 HG2 GLN 34 HG2 GLN 34 13.997 24.329 0.093 293 HG3 GLN 34 HG3 GLN 34 13.542 22.738 -0.516 294 HE21 GLN 34 HE21 GLN 34 13.863 21.155 1.659 295 HE22 GLN 34 HE22 GLN 34 12.767 21.626 2.909 296 H ASP 35 H ASP 35 17.291 24.885 -0.424 297 HA ASP 35 HA ASP 35 16.629 27.515 0.642 298 HB2 ASP 35 HB2 ASP 35 18.478 26.490 -1.473 299 HB3 ASP 35 HB3 ASP 35 17.943 28.166 -1.554 300 H GLN 36 H GLN 36 14.357 26.192 -0.061 301 HA GLN 36 HA GLN 36 13.146 27.977 -1.878 302 HB2 GLN 36 HB2 GLN 36 12.484 26.125 -3.549 303 HB3 GLN 36 HB3 GLN 36 14.079 26.852 -3.696 304 HG2 GLN 36 HG2 GLN 36 13.932 24.469 -1.983 305 HG3 GLN 36 HG3 GLN 36 13.609 24.200 -3.695 306 HE21 GLN 36 HE21 GLN 36 15.783 23.073 -2.456 307 HE22 GLN 36 HE22 GLN 36 17.231 23.798 -3.059 308 H ALA 37 H ALA 37 11.601 28.192 -0.299 309 HA ALA 37 HA ALA 37 10.089 25.803 0.481 310 HB1 ALA 37 HB1 ALA 37 9.431 26.907 2.398 311 HB2 ALA 37 HB2 ALA 37 11.047 27.565 2.139 312 HB3 ALA 37 HB3 ALA 37 9.628 28.503 1.674 313 H SER 38 H SER 38 9.769 26.840 -2.154 314 HA SER 38 HA SER 38 8.090 27.234 -3.641 315 HB2 SER 38 HB2 SER 38 5.990 27.343 -1.528 316 HB3 SER 38 HB3 SER 38 5.963 26.549 -3.103 317 HG SER 38 HG SER 38 6.705 25.567 -0.668 318 H LYS 39 H LYS 39 6.427 28.884 -4.243 319 HA LYS 39 HA LYS 39 7.121 31.451 -2.995 320 HB2 LYS 39 HB2 LYS 39 6.330 30.636 -5.759 321 HB3 LYS 39 HB3 LYS 39 5.968 32.272 -5.224 322 HG2 LYS 39 HG2 LYS 39 8.112 32.034 -6.464 323 HG3 LYS 39 HG3 LYS 39 8.271 32.748 -4.857 324 HD2 LYS 39 HD2 LYS 39 8.943 30.547 -3.974 325 HD3 LYS 39 HD3 LYS 39 8.836 29.877 -5.603 326 HE2 LYS 39 HE2 LYS 39 10.506 32.294 -5.278 327 HE3 LYS 39 HE3 LYS 39 11.112 30.817 -4.529 328 HZ1 LYS 39 HZ1 LYS 39 10.161 30.360 -7.181 329 HZ2 LYS 39 HZ2 LYS 39 11.665 29.994 -6.502 330 HZ3 LYS 39 HZ3 LYS 39 11.383 31.529 -7.153 331 H ASP 40 H ASP 40 4.805 29.231 -2.696 332 HA ASP 40 HA ASP 40 2.898 31.121 -1.667 333 HB2 ASP 40 HB2 ASP 40 2.434 30.868 -4.193 334 HB3 ASP 40 HB3 ASP 40 1.857 29.254 -3.785 335 H PHE 41 H PHE 41 4.451 29.112 -0.480 336 HA PHE 41 HA PHE 41 2.331 27.316 0.475 337 HB2 PHE 41 HB2 PHE 41 4.251 26.349 -1.121 338 HB3 PHE 41 HB3 PHE 41 5.108 26.256 0.414 339 HD1 PHE 41 HD2 PHE 41 1.742 25.429 -0.973 340 HD2 PHE 41 HD1 PHE 41 4.956 24.288 1.573 341 HE1 PHE 41 HE2 PHE 41 0.582 23.321 -0.459 342 HE2 PHE 41 HE1 PHE 41 3.802 22.177 2.090 343 HZ PHE 41 HZ PHE 41 1.611 21.692 1.075 344 H ASN 42 H ASN 42 5.748 28.040 1.208 345 HA ASN 42 HA ASN 42 5.463 27.710 3.990 346 HB2 ASN 42 HB2 ASN 42 7.689 28.434 4.168 347 HB3 ASN 42 HB3 ASN 42 7.611 27.720 2.560 348 HD21 ASN 42 HD21 ASN 42 8.140 30.557 4.392 349 H ARG 43 H ARG 43 5.132 29.142 5.647 350 HA ARG 43 HA ARG 43 4.049 31.755 4.863 351 HB2 ARG 43 HB2 ARG 43 2.571 31.608 6.590 352 HB3 ARG 43 HB3 ARG 43 2.852 29.889 6.353 353 HG2 ARG 43 HG2 ARG 43 4.512 29.916 8.150 354 HG3 ARG 43 HG3 ARG 43 4.211 31.638 8.392 355 HD2 ARG 43 HD2 ARG 43 2.518 31.156 9.743 356 HD3 ARG 43 HD3 ARG 43 1.711 30.299 8.430 357 HE ARG 43 HE ARG 43 3.703 28.674 9.628 358 HH11 ARG 43 HH11 ARG 43 0.492 29.924 10.126 359 HH12 ARG 43 HH12 ARG 43 -0.005 28.607 11.136 360 HH21 ARG 43 HH21 ARG 43 3.060 26.934 10.956 361 HH22 ARG 43 HH22 ARG 43 1.457 26.907 11.608 362 H SER 44 H SER 44 6.881 30.504 5.885 363 HA SER 44 HA SER 44 8.764 31.369 6.823 364 HB2 SER 44 HB2 SER 44 8.658 33.270 5.455 365 HB3 SER 44 HB3 SER 44 7.204 33.875 6.248 366 HG SER 44 HG SER 44 8.504 34.998 7.440 367 H LYS 45 H LYS 45 9.637 32.325 8.808 368 HA LYS 45 HA LYS 45 8.361 31.457 11.096 369 HB2 LYS 45 HB2 LYS 45 10.306 33.764 11.014 370 HB3 LYS 45 HB3 LYS 45 10.021 32.656 12.349 371 HG2 LYS 45 HG2 LYS 45 11.777 31.523 11.598 372 HG3 LYS 45 HG3 LYS 45 10.733 30.981 10.282 373 HD2 LYS 45 HD2 LYS 45 11.442 33.152 9.101 374 HD3 LYS 45 HD3 LYS 45 12.736 33.217 10.300 375 HE2 LYS 45 HE2 LYS 45 13.489 32.143 8.241 376 HE3 LYS 45 HE3 LYS 45 13.510 31.013 9.594 377 HZ1 LYS 45 HZ1 LYS 45 12.484 30.358 7.289 378 HZ2 LYS 45 HZ2 LYS 45 11.111 31.119 7.919 379 HZ3 LYS 45 HZ3 LYS 45 11.799 29.807 8.735 380 H ALA 46 H ALA 46 8.666 34.850 10.033 381 HA ALA 46 HA ALA 46 6.035 35.399 11.182 382 HB1 ALA 46 HB1 ALA 46 7.775 35.911 12.907 383 HB2 ALA 46 HB2 ALA 46 8.405 37.146 11.816 384 HB3 ALA 46 HB3 ALA 46 6.764 37.282 12.448 385 H LEU 47 H LEU 47 5.613 37.922 10.747 386 HA LEU 47 HA LEU 47 6.381 38.424 7.947 387 HB2 LEU 47 HB2 LEU 47 3.760 39.138 9.248 388 HB3 LEU 47 HB3 LEU 47 4.197 39.372 7.557 389 HG LEU 47 HG LEU 47 4.465 36.760 7.590 390 HD11 LEU 47 HD11 LEU 47 2.760 37.340 9.988 391 HD12 LEU 47 HD12 LEU 47 4.135 36.246 9.846 392 HD13 LEU 47 HD13 LEU 47 2.601 35.839 9.076 393 HD21 LEU 47 HD21 LEU 47 1.642 37.162 7.578 394 HD22 LEU 47 HD22 LEU 47 2.740 36.963 6.212 395 HD23 LEU 47 HD23 LEU 47 2.424 38.572 6.864 396 H PHE 48 H PHE 48 5.359 40.908 7.581 397 HA PHE 48 HA PHE 48 6.728 42.540 9.617 398 HB2 PHE 48 HB2 PHE 48 7.208 44.126 7.671 399 HB3 PHE 48 HB3 PHE 48 8.131 42.627 7.717 400 HD1 PHE 48 HD2 PHE 48 7.449 40.735 6.220 401 HD2 PHE 48 HD1 PHE 48 5.834 44.655 5.845 402 HE1 PHE 48 HE2 PHE 48 6.704 40.206 3.935 403 HE2 PHE 48 HE1 PHE 48 5.086 44.133 3.560 404 HZ PHE 48 HZ PHE 48 5.522 41.906 2.602 405 H SER 49 H SER 49 4.373 42.404 10.401 406 HA SER 49 HA SER 49 2.279 43.704 9.107 407 HB2 SER 49 HB2 SER 49 2.813 42.684 11.750 408 HB3 SER 49 HB3 SER 49 1.965 44.226 11.860 409 HG SER 49 HG SER 49 0.336 42.850 11.601 410 H GLN 50 H GLN 50 5.088 44.990 10.612 411 HA GLN 50 HA GLN 50 4.674 47.585 9.644 412 HB2 GLN 50 HB2 GLN 50 3.137 47.156 11.884 413 HB3 GLN 50 HB3 GLN 50 4.586 47.891 12.556 414 HG2 GLN 50 HG2 GLN 50 3.898 49.890 11.924 415 HG3 GLN 50 HG3 GLN 50 3.820 49.358 10.245 416 HE21 GLN 50 HE21 GLN 50 1.950 49.980 9.440 417 HE22 GLN 50 HE22 GLN 50 0.407 49.804 10.198 418 H SER 51 H SER 51 6.069 49.086 11.547 419 HA SER 51 HA SER 51 8.737 48.198 11.031 420 HB2 SER 51 HB2 SER 51 8.011 50.425 12.924 421 HB3 SER 51 HB3 SER 51 9.443 50.269 11.906 422 HG SER 51 HG SER 51 8.162 51.681 10.845 423 H ALA 52 H ALA 52 8.026 46.104 12.283 424 HA ALA 52 HA ALA 52 8.645 46.399 15.139 425 HB1 ALA 52 HB1 ALA 52 6.903 45.032 15.360 426 HB2 ALA 52 HB2 ALA 52 6.878 44.666 13.634 427 HB3 ALA 52 HB3 ALA 52 7.936 43.756 14.713 428 H ILE 53 H ILE 53 9.865 45.179 12.156 429 HA ILE 53 HA ILE 53 12.152 44.000 13.594 430 HB ILE 53 HB ILE 53 12.387 42.615 11.393 431 HG12 ILE 53 HG12 ILE 53 9.398 42.760 11.393 432 HG13 ILE 53 HG13 ILE 53 10.311 43.977 10.507 433 HG21 ILE 53 HG21 ILE 53 11.944 41.758 13.688 434 HG22 ILE 53 HG22 ILE 53 10.218 41.902 13.359 435 HG23 ILE 53 HG23 ILE 53 11.207 40.793 12.410 436 HD11 ILE 53 HD11 ILE 53 10.748 42.569 8.847 437 HD12 ILE 53 HD12 ILE 53 11.223 41.280 9.953 438 HD13 ILE 53 HD13 ILE 53 9.521 41.524 9.561 439 H SER 54 H SER 54 11.154 46.466 11.647 440 HA SER 54 HA SER 54 12.172 47.943 10.239 441 HB2 SER 54 HB2 SER 54 14.232 47.162 12.232 442 HB3 SER 54 HB3 SER 54 14.794 48.050 10.816 443 HG SER 54 HG SER 54 12.853 49.465 11.425 444 H GLN 55 H GLN 55 11.665 46.173 8.594 445 HA GLN 55 HA GLN 55 13.572 44.428 7.583 446 HB2 GLN 55 HB2 GLN 55 11.272 44.304 6.866 447 HB3 GLN 55 HB3 GLN 55 11.361 45.910 6.156 448 HG2 GLN 55 HG2 GLN 55 12.884 45.133 4.466 449 HG3 GLN 55 HG3 GLN 55 12.966 43.543 5.223 450 HE21 GLN 55 HE21 GLN 55 12.368 43.257 2.787 451 HE22 GLN 55 HE22 GLN 55 10.680 43.056 2.482 452 H LYS 56 H LYS 56 13.414 47.854 7.389 453 HA LYS 56 HA LYS 56 14.710 48.490 5.059 454 HB2 LYS 56 HB2 LYS 56 15.500 50.502 6.164 455 HB3 LYS 56 HB3 LYS 56 13.860 50.141 6.687 456 HG2 LYS 56 HG2 LYS 56 15.134 48.905 8.642 457 HG3 LYS 56 HG3 LYS 56 16.405 50.051 8.210 458 HD2 LYS 56 HD2 LYS 56 13.620 51.054 8.567 459 HD3 LYS 56 HD3 LYS 56 14.576 50.665 9.999 460 HE2 LYS 56 HE2 LYS 56 15.186 52.842 9.750 461 HE3 LYS 56 HE3 LYS 56 16.394 52.100 8.701 462 HZ1 LYS 56 HZ1 LYS 56 13.854 52.811 7.466 463 HZ2 LYS 56 HZ2 LYS 56 15.425 52.922 6.851 464 HZ3 LYS 56 HZ3 LYS 56 14.852 54.098 7.923 465 H GLU 57 H GLU 57 16.081 47.156 8.003 466 HA GLU 57 HA GLU 57 18.484 46.434 6.551 467 HB2 GLU 57 HB2 GLU 57 18.641 48.110 9.063 468 HB3 GLU 57 HB3 GLU 57 20.007 47.410 8.206 469 HG2 GLU 57 HG2 GLU 57 19.286 48.767 6.204 470 HG3 GLU 57 HG3 GLU 57 18.180 49.607 7.290 471 H TYR 58 H TYR 58 16.118 45.269 8.076 472 HA TYR 58 HA TYR 58 16.914 44.069 10.447 473 HB2 TYR 58 HB2 TYR 58 15.071 42.647 10.213 474 HB3 TYR 58 HB3 TYR 58 14.610 44.063 9.274 475 HD1 TYR 58 HD2 TYR 58 16.115 43.617 6.774 476 HD2 TYR 58 HD1 TYR 58 13.941 40.878 9.198 477 HE1 TYR 58 HE2 TYR 58 15.730 42.191 4.807 478 HE2 TYR 58 HE1 TYR 58 13.551 39.444 7.239 479 HH TYR 58 HH TYR 58 13.791 40.368 4.207 480 H ASP 59 H ASP 59 17.061 41.523 10.564 481 HA ASP 59 HA ASP 59 19.528 40.842 9.215 482 HB2 ASP 59 HB2 ASP 59 18.057 39.912 11.571 483 HB3 ASP 59 HB3 ASP 59 18.783 38.604 10.640 484 H SER 60 H SER 60 19.852 38.969 7.944 485 HA SER 60 HA SER 60 17.500 38.252 6.368 486 HB2 SER 60 HB2 SER 60 19.722 37.001 5.235 487 HB3 SER 60 HB3 SER 60 18.985 38.513 4.704 488 HG SER 60 HG SER 60 20.888 39.290 5.174 489 H SER 61 H SER 61 19.722 36.909 8.655 490 HA SER 61 HA SER 61 19.471 34.182 8.104 491 HB2 SER 61 HB2 SER 61 20.496 35.818 10.248 492 HB3 SER 61 HB3 SER 61 19.629 34.430 10.907 493 HG SER 61 HG SER 61 21.497 34.117 8.818 494 H LEU 62 H LEU 62 17.249 36.413 9.524 495 HA LEU 62 HA LEU 62 15.566 34.331 10.647 496 HB2 LEU 62 HB2 LEU 62 14.263 36.045 11.564 497 HB3 LEU 62 HB3 LEU 62 15.926 36.618 11.678 498 HG LEU 62 HG LEU 62 14.961 37.623 9.252 499 HD11 LEU 62 HD11 LEU 62 12.694 37.195 9.808 500 HD12 LEU 62 HD12 LEU 62 12.973 38.915 10.073 501 HD13 LEU 62 HD13 LEU 62 12.911 37.811 11.447 502 HD21 LEU 62 HD21 LEU 62 15.001 39.191 11.803 503 HD22 LEU 62 HD22 LEU 62 15.480 39.688 10.180 504 HD23 LEU 62 HD23 LEU 62 16.495 38.573 11.097 505 H ALA 63 H ALA 63 16.142 35.127 7.623 506 HA ALA 63 HA ALA 63 13.428 34.467 6.766 507 HB1 ALA 63 HB1 ALA 63 13.241 36.760 6.474 508 HB2 ALA 63 HB2 ALA 63 14.925 36.937 5.980 509 HB3 ALA 63 HB3 ALA 63 13.756 36.205 4.881 510 H THR 64 H THR 64 15.059 32.513 6.707 511 HA THR 64 HA THR 64 15.389 31.782 4.031 512 HB THR 64 HB THR 64 18.103 31.622 4.595 513 HG1 THR 64 HG1 THR 64 17.497 34.339 4.925 514 HG21 THR 64 HG21 THR 64 17.782 32.096 2.415 515 HG22 THR 64 HG22 THR 64 17.948 33.773 2.935 516 HG23 THR 64 HG23 THR 64 16.345 33.067 2.735 517 H LEU 65 H LEU 65 17.237 29.876 4.005 518 HA LEU 65 HA LEU 65 17.492 27.681 4.579 519 HB2 LEU 65 HB2 LEU 65 17.610 28.324 7.455 520 HB3 LEU 65 HB3 LEU 65 18.738 27.419 6.447 521 HG LEU 65 HG LEU 65 19.189 29.889 5.502 522 HD11 LEU 65 HD11 LEU 65 17.634 30.313 7.851 523 HD12 LEU 65 HD12 LEU 65 18.354 31.503 6.767 524 HD13 LEU 65 HD13 LEU 65 19.276 30.889 8.140 525 HD21 LEU 65 HD21 LEU 65 20.570 29.287 8.047 526 HD22 LEU 65 HD22 LEU 65 21.231 29.658 6.454 527 HD23 LEU 65 HD23 LEU 65 20.620 28.039 6.801 528 H ASP 66 H ASP 66 14.760 28.646 4.515 529 HA ASP 66 HA ASP 66 13.151 27.879 6.615 530 HB2 ASP 66 HB2 ASP 66 12.732 28.708 4.018 531 HB3 ASP 66 HB3 ASP 66 12.062 27.079 4.018 532 H HIS 67 H HIS 67 11.668 25.939 6.665 533 HA HIS 67 HA HIS 67 13.137 23.493 5.935 534 HB2 HIS 67 HB2 HIS 67 11.463 23.745 8.429 535 HB3 HIS 67 HB3 HIS 67 12.624 22.486 8.019 536 HD1 HIS 67 HD1 HIS 67 12.522 24.594 10.545 537 HD2 HIS 67 HD2 HIS 67 15.176 24.491 7.349 538 HE1 HIS 67 HE1 HIS 67 14.587 25.783 11.347 539 H THR 68 H THR 68 11.907 21.698 5.345 540 HA THR 68 HA THR 68 9.059 22.260 4.824 541 HB THR 68 HB THR 68 10.964 20.613 3.148 542 HG1 THR 68 HG1 THR 68 10.158 22.363 1.605 543 HG21 THR 68 HG21 THR 68 8.095 20.556 3.366 544 HG22 THR 68 HG22 THR 68 9.158 19.561 2.371 545 HG23 THR 68 HG23 THR 68 8.575 21.110 1.762 546 H GLU 69 H GLU 69 7.948 21.158 6.321 547 HA GLU 69 HA GLU 69 8.853 18.694 7.446 548 HB2 GLU 69 HB2 GLU 69 6.032 19.730 7.608 549 HB3 GLU 69 HB3 GLU 69 6.905 18.750 8.778 550 HG2 GLU 69 HG2 GLU 69 8.394 20.675 9.215 551 HG3 GLU 69 HG3 GLU 69 7.401 21.646 8.130 552 H ILE 70 H ILE 70 8.423 16.654 6.862 553 HA ILE 70 HA ILE 70 6.813 16.244 4.452 554 HB ILE 70 HB ILE 70 8.748 14.395 5.851 555 HG12 ILE 70 HG12 ILE 70 9.863 14.771 3.477 556 HG13 ILE 70 HG13 ILE 70 8.940 16.269 3.532 557 HG21 ILE 70 HG21 ILE 70 6.902 14.004 3.544 558 HG22 ILE 70 HG22 ILE 70 8.465 13.189 3.544 559 HG23 ILE 70 HG23 ILE 70 7.319 12.899 4.852 560 HD11 ILE 70 HD11 ILE 70 10.069 16.971 5.508 561 HD12 ILE 70 HD12 ILE 70 10.854 15.401 5.679 562 HD13 ILE 70 HD13 ILE 70 11.282 16.459 4.335 563 H LYS 71 H LYS 71 4.715 16.061 5.031 564 HA LYS 71 HA LYS 71 3.974 14.413 7.318 565 HB2 LYS 71 HB2 LYS 71 1.653 15.200 6.767 566 HB3 LYS 71 HB3 LYS 71 2.789 16.483 7.163 567 HG2 LYS 71 HG2 LYS 71 2.935 16.134 4.380 568 HG3 LYS 71 HG3 LYS 71 1.220 16.116 4.801 569 HD2 LYS 71 HD2 LYS 71 1.921 18.384 4.340 570 HD3 LYS 71 HD3 LYS 71 1.540 18.220 6.056 571 HE2 LYS 71 HE2 LYS 71 3.971 17.903 6.495 572 HE3 LYS 71 HE3 LYS 71 4.279 18.250 4.794 573 HZ1 LYS 71 HZ1 LYS 71 4.440 20.141 6.516 574 HZ2 LYS 71 HZ2 LYS 71 2.751 20.160 6.433 575 HZ3 LYS 71 HZ3 LYS 71 3.669 20.443 5.041 576 H ALA 72 H ALA 72 2.805 12.527 7.196 577 HA ALA 72 HA ALA 72 3.224 10.818 5.047 578 HB1 ALA 72 HB1 ALA 72 1.801 10.732 7.560 579 HB2 ALA 72 HB2 ALA 72 0.944 9.842 6.301 580 HB3 ALA 72 HB3 ALA 72 2.618 9.438 6.682 581 HA PRO 73 HA PRO 73 0.202 11.862 2.031 582 HB2 PRO 73 HB2 PRO 73 -0.193 9.434 0.884 583 HB3 PRO 73 HB3 PRO 73 1.278 10.384 0.640 584 HG2 PRO 73 HG2 PRO 73 0.794 8.084 2.494 585 HG3 PRO 73 HG3 PRO 73 2.199 8.414 1.464 586 HD2 PRO 73 HD2 PRO 73 2.183 8.944 4.119 587 HD3 PRO 73 HD3 PRO 73 3.095 9.926 2.955 588 H PHE 74 H PHE 74 -0.465 9.062 4.091 589 HA PHE 74 HA PHE 74 -3.112 9.957 4.647 590 HB2 PHE 74 HB2 PHE 74 -4.229 7.876 3.721 591 HB3 PHE 74 HB3 PHE 74 -3.712 9.062 2.527 592 HD1 PHE 74 HD1 PHE 74 -3.005 5.770 3.994 593 HD2 PHE 74 HD2 PHE 74 -2.004 8.561 0.940 594 HE1 PHE 74 HE1 PHE 74 -1.724 4.026 2.824 595 HE2 PHE 74 HE2 PHE 74 -0.722 6.821 -0.235 596 HZ PHE 74 HZ PHE 74 -0.581 4.549 0.706 597 H ASP 75 H ASP 75 -4.131 8.741 6.299 598 HA ASP 75 HA ASP 75 -2.496 7.738 8.276 599 HB2 ASP 75 HB2 ASP 75 -4.744 8.414 8.793 600 HB3 ASP 75 HB3 ASP 75 -5.415 7.177 7.734 601 H GLY 76 H GLY 76 -1.967 5.668 9.021 602 HA2 GLY 76 HA2 GLY 76 -2.743 3.215 8.122 603 HA3 GLY 76 HA3 GLY 76 -1.557 3.732 6.933 604 H THR 77 H THR 77 0.182 2.509 7.332 605 HA THR 77 HA THR 77 1.273 2.567 10.069 606 HB THR 77 HB THR 77 1.321 0.246 8.132 607 HG1 THR 77 HG1 THR 77 0.097 -0.761 9.759 608 HG21 THR 77 HG21 THR 77 2.441 -0.916 10.110 609 HG22 THR 77 HG22 THR 77 2.764 0.703 10.732 610 HG23 THR 77 HG23 THR 77 3.433 0.205 9.178 611 H ILE 78 H ILE 78 3.451 2.903 10.284 612 HA ILE 78 HA ILE 78 4.925 3.466 7.794 613 HB ILE 78 HB ILE 78 4.514 5.501 9.077 614 HG12 ILE 78 HG12 ILE 78 7.396 5.028 9.622 615 HG13 ILE 78 HG13 ILE 78 6.849 4.776 7.968 616 HG21 ILE 78 HG21 ILE 78 6.195 5.192 11.314 617 HG22 ILE 78 HG22 ILE 78 4.449 5.434 11.293 618 HG23 ILE 78 HG23 ILE 78 5.112 3.800 11.295 619 HD11 ILE 78 HD11 ILE 78 7.583 6.992 8.050 620 HD12 ILE 78 HD12 ILE 78 5.823 7.094 8.129 621 HD13 ILE 78 HD13 ILE 78 6.785 7.291 9.594 622 H GLY 79 H GLY 79 7.030 2.753 7.594 623 HA2 GLY 79 HA2 GLY 79 7.747 0.541 9.340 624 HA3 GLY 79 HA3 GLY 79 8.534 0.977 7.830 625 H ASP 80 H ASP 80 10.609 0.871 8.663 626 HA ASP 80 HA ASP 80 11.289 2.576 10.928 627 HB2 ASP 80 HB2 ASP 80 13.606 1.561 10.534 628 HB3 ASP 80 HB3 ASP 80 12.335 0.466 11.072 629 H ALA 81 H ALA 81 13.719 3.507 10.495 630 HA ALA 81 HA ALA 81 13.371 5.321 8.208 631 HB1 ALA 81 HB1 ALA 81 15.341 6.460 9.687 632 HB2 ALA 81 HB2 ALA 81 13.623 6.820 9.859 633 HB3 ALA 81 HB3 ALA 81 14.392 5.656 10.938 634 H LEU 82 H LEU 82 14.734 5.238 6.542 635 HA LEU 82 HA LEU 82 16.852 3.294 6.519 636 HB2 LEU 82 HB2 LEU 82 15.582 5.109 4.537 637 HB3 LEU 82 HB3 LEU 82 17.199 4.501 4.187 638 HG LEU 82 HG LEU 82 16.467 2.315 3.954 639 HD11 LEU 82 HD11 LEU 82 14.134 3.153 5.639 640 HD12 LEU 82 HD12 LEU 82 15.314 1.876 5.930 641 HD13 LEU 82 HD13 LEU 82 14.091 1.676 4.675 642 HD21 LEU 82 HD21 LEU 82 15.170 4.302 2.523 643 HD22 LEU 82 HD22 LEU 82 13.876 3.210 3.015 644 HD23 LEU 82 HD23 LEU 82 15.255 2.591 2.106 645 H VAL 83 H VAL 83 16.651 6.832 6.280 646 HA VAL 83 HA VAL 83 19.563 6.981 6.641 647 HB VAL 83 HB VAL 83 19.418 9.287 5.885 648 HG11 VAL 83 HG11 VAL 83 18.606 8.878 3.566 649 HG12 VAL 83 HG12 VAL 83 19.713 7.641 4.166 650 HG13 VAL 83 HG13 VAL 83 17.979 7.322 4.110 651 HG21 VAL 83 HG21 VAL 83 17.217 10.120 4.993 652 HG22 VAL 83 HG22 VAL 83 16.452 8.766 5.824 653 HG23 VAL 83 HG23 VAL 83 17.319 9.993 6.749 654 H ASN 84 H ASN 84 20.015 9.324 7.764 655 HA ASN 84 HA ASN 84 18.452 9.374 10.257 656 HB2 ASN 84 HB2 ASN 84 21.450 9.366 9.927 657 HB3 ASN 84 HB3 ASN 84 20.669 9.932 11.401 658 HD21 ASN 84 HD21 ASN 84 21.694 7.238 9.595 659 HD22 ASN 84 HD22 ASN 84 21.127 6.008 10.668 660 H ILE 85 H ILE 85 19.139 11.431 11.568 661 HA ILE 85 HA ILE 85 18.428 13.675 9.967 662 HB ILE 85 HB ILE 85 19.512 13.769 12.779 663 HG12 ILE 85 HG12 ILE 85 17.693 12.129 12.671 664 HG13 ILE 85 HG13 ILE 85 17.181 13.572 13.539 665 HG21 ILE 85 HG21 ILE 85 18.204 15.672 10.957 666 HG22 ILE 85 HG22 ILE 85 17.599 15.669 12.613 667 HG23 ILE 85 HG23 ILE 85 19.310 15.959 12.300 668 HD11 ILE 85 HD11 ILE 85 16.437 12.713 10.764 669 HD12 ILE 85 HD12 ILE 85 15.384 12.966 12.157 670 HD13 ILE 85 HD13 ILE 85 16.149 14.345 11.367 671 H GLY 86 H GLY 86 19.637 15.575 9.565 672 HA2 GLY 86 HA2 GLY 86 21.533 16.837 9.176 673 HA3 GLY 86 HA3 GLY 86 22.436 15.715 10.184 674 H ASP 87 H ASP 87 20.645 14.235 7.697 675 HA ASP 87 HA ASP 87 23.109 13.921 6.113 676 HB2 ASP 87 HB2 ASP 87 21.396 11.981 7.241 677 HB3 ASP 87 HB3 ASP 87 21.124 11.929 5.501 678 H TYR 88 H TYR 88 23.120 14.702 4.113 679 HA TYR 88 HA TYR 88 20.968 16.149 3.038 680 HB2 TYR 88 HB2 TYR 88 23.375 16.495 2.465 681 HB3 TYR 88 HB3 TYR 88 23.327 15.007 1.527 682 HD1 TYR 88 HD2 TYR 88 21.644 14.890 -0.409 683 HD2 TYR 88 HD1 TYR 88 22.769 18.529 1.487 684 HE1 TYR 88 HE2 TYR 88 20.861 16.148 -2.372 685 HE2 TYR 88 HE1 TYR 88 21.988 19.797 -0.471 686 HH TYR 88 HH TYR 88 20.424 19.511 -2.345 687 H VAL 89 H VAL 89 19.390 15.663 1.598 688 HA VAL 89 HA VAL 89 19.331 12.962 0.446 689 HB VAL 89 HB VAL 89 16.798 13.017 0.896 690 HG11 VAL 89 HG11 VAL 89 17.548 11.343 2.162 691 HG12 VAL 89 HG12 VAL 89 19.031 12.212 2.565 692 HG13 VAL 89 HG13 VAL 89 17.561 12.491 3.501 693 HG21 VAL 89 HG21 VAL 89 17.672 14.890 3.089 694 HG22 VAL 89 HG22 VAL 89 16.801 15.396 1.642 695 HG23 VAL 89 HG23 VAL 89 16.043 14.287 2.784 696 H SER 90 H SER 90 18.031 12.746 -1.441 697 HA SER 90 HA SER 90 17.952 15.172 -3.016 698 HB2 SER 90 HB2 SER 90 18.260 12.393 -3.555 699 HB3 SER 90 HB3 SER 90 16.839 12.956 -4.434 700 HG SER 90 HG SER 90 18.304 14.757 -5.100 701 H ALA 91 H ALA 91 15.902 14.897 -4.720 702 HA ALA 91 HA ALA 91 13.708 15.921 -3.315 703 HB1 ALA 91 HB1 ALA 91 12.575 16.000 -5.376 704 HB2 ALA 91 HB2 ALA 91 14.280 16.227 -5.770 705 HB3 ALA 91 HB3 ALA 91 13.515 14.660 -6.035 706 H SER 92 H SER 92 11.571 14.487 -4.676 707 HA SER 92 HA SER 92 10.703 12.790 -2.707 708 HB2 SER 92 HB2 SER 92 10.013 13.173 -5.567 709 HB3 SER 92 HB3 SER 92 9.448 11.680 -4.817 710 HG SER 92 HG SER 92 8.701 14.310 -4.338 711 H THR 93 H THR 93 12.969 12.139 -5.246 712 HA THR 93 HA THR 93 12.905 9.422 -5.549 713 HB THR 93 HB THR 93 15.417 11.083 -5.265 714 HG1 THR 93 HG1 THR 93 14.114 11.928 -6.892 715 HG21 THR 93 HG21 THR 93 14.920 8.279 -5.948 716 HG22 THR 93 HG22 THR 93 16.411 9.075 -5.443 717 HG23 THR 93 HG23 THR 93 15.905 9.139 -7.131 718 H THR 94 H THR 94 14.144 11.248 -2.817 719 HA THR 94 HA THR 94 15.479 9.136 -1.510 720 HB THR 94 HB THR 94 15.823 11.503 -0.911 721 HG1 THR 94 HG1 THR 94 15.658 11.121 1.431 722 HG21 THR 94 HG21 THR 94 13.087 11.680 -0.888 723 HG22 THR 94 HG22 THR 94 14.191 12.885 -0.224 724 HG23 THR 94 HG23 THR 94 13.477 11.666 0.831 725 H GLU 95 H GLU 95 14.493 7.275 -1.029 726 HA GLU 95 HA GLU 95 11.750 7.338 0.006 727 HB2 GLU 95 HB2 GLU 95 11.873 4.836 -0.360 728 HB3 GLU 95 HB3 GLU 95 11.945 5.827 -1.810 729 HG2 GLU 95 HG2 GLU 95 13.893 4.955 -2.384 730 HG3 GLU 95 HG3 GLU 95 14.591 5.355 -0.816 731 H LEU 96 H LEU 96 13.381 8.300 1.861 732 HA LEU 96 HA LEU 96 14.828 6.694 3.532 733 HB2 LEU 96 HB2 LEU 96 13.794 8.191 5.396 734 HB3 LEU 96 HB3 LEU 96 14.844 8.894 4.168 735 HG LEU 96 HG LEU 96 12.110 9.023 3.301 736 HD11 LEU 96 HD11 LEU 96 12.442 10.725 5.696 737 HD12 LEU 96 HD12 LEU 96 12.060 9.026 5.970 738 HD13 LEU 96 HD13 LEU 96 10.985 10.024 4.991 739 HD21 LEU 96 HD21 LEU 96 14.051 10.395 2.550 740 HD22 LEU 96 HD22 LEU 96 14.005 11.224 4.106 741 HD23 LEU 96 HD23 LEU 96 12.632 11.339 3.005 742 H VAL 97 H VAL 97 11.351 7.379 3.965 743 HA VAL 97 HA VAL 97 11.091 4.724 5.222 744 HB VAL 97 HB VAL 97 10.890 6.618 6.851 745 HG11 VAL 97 HG11 VAL 97 9.777 8.172 5.245 746 HG12 VAL 97 HG12 VAL 97 8.307 7.211 5.417 747 HG13 VAL 97 HG13 VAL 97 8.979 8.054 6.813 748 HG21 VAL 97 HG21 VAL 97 8.251 5.220 6.616 749 HG22 VAL 97 HG22 VAL 97 9.723 4.318 6.974 750 HG23 VAL 97 HG23 VAL 97 9.186 5.597 8.063 751 H ARG 98 H ARG 98 9.007 3.704 5.000 752 HA ARG 98 HA ARG 98 7.426 4.705 2.728 753 HB2 ARG 98 HB2 ARG 98 7.222 2.495 1.828 754 HB3 ARG 98 HB3 ARG 98 8.933 2.810 2.086 755 HG2 ARG 98 HG2 ARG 98 7.290 1.357 4.126 756 HG3 ARG 98 HG3 ARG 98 8.012 0.521 2.750 757 HD2 ARG 98 HD2 ARG 98 10.167 1.829 3.571 758 HD3 ARG 98 HD3 ARG 98 9.305 1.784 5.108 759 HE ARG 98 HE ARG 98 9.242 -0.789 4.099 760 HH11 ARG 98 HH11 ARG 98 11.656 1.513 5.095 761 HH12 ARG 98 HH12 ARG 98 12.792 0.303 5.593 762 HH21 ARG 98 HH21 ARG 98 10.728 -2.392 4.752 763 HH22 ARG 98 HH22 ARG 98 12.263 -1.918 5.397 764 H VAL 99 H VAL 99 5.207 4.020 2.688 765 HA VAL 99 HA VAL 99 4.182 3.373 5.374 766 HB VAL 99 HB VAL 99 2.925 4.984 3.153 767 HG11 VAL 99 HG11 VAL 99 1.186 3.642 4.113 768 HG12 VAL 99 HG12 VAL 99 1.726 4.028 5.748 769 HG13 VAL 99 HG13 VAL 99 1.023 5.286 4.730 770 HG21 VAL 99 HG21 VAL 99 3.508 6.816 4.299 771 HG22 VAL 99 HG22 VAL 99 3.068 6.099 5.849 772 HG23 VAL 99 HG23 VAL 99 4.647 5.763 5.138 773 H THR 100 H THR 100 2.798 1.702 5.643 774 HA THR 100 HA THR 100 2.009 0.203 3.229 775 HB THR 100 HB THR 100 3.740 -1.004 4.486 776 HG1 THR 100 HG1 THR 100 2.632 -2.934 4.499 777 HG21 THR 100 HG21 THR 100 3.115 -0.024 6.717 778 HG22 THR 100 HG22 THR 100 3.413 -1.763 6.727 779 HG23 THR 100 HG23 THR 100 1.759 -1.151 6.755 780 H ASN 101 H ASN 101 0.146 -1.349 3.721 781 HA ASN 101 HA ASN 101 -2.006 -1.718 4.370 782 HB2 ASN 101 HB2 ASN 101 -0.742 -0.869 6.705 783 HB3 ASN 101 HB3 ASN 101 -2.179 0.144 6.597 784 HD21 ASN 101 HD21 ASN 101 -1.718 -1.788 8.583 785 HD22 ASN 101 HD22 ASN 101 -2.918 -3.021 8.421 786 H LEU 102 H LEU 102 -4.136 -0.582 4.606 787 HA LEU 102 HA LEU 102 -5.660 0.946 3.890 788 HB2 LEU 102 HB2 LEU 102 -3.564 2.449 5.075 789 HB3 LEU 102 HB3 LEU 102 -4.095 3.308 3.631 790 HG LEU 102 HG LEU 102 -6.461 2.651 4.904 791 HD11 LEU 102 HD11 LEU 102 -4.418 3.497 6.954 792 HD12 LEU 102 HD12 LEU 102 -5.278 1.958 6.904 793 HD13 LEU 102 HD13 LEU 102 -6.164 3.454 7.204 794 HD21 LEU 102 HD21 LEU 102 -5.964 5.207 5.721 795 HD22 LEU 102 HD22 LEU 102 -6.570 4.750 4.129 796 HD23 LEU 102 HD23 LEU 102 -4.845 5.032 4.369 797 H ASN 103 H ASN 103 -6.181 2.441 2.059 798 HA ASN 103 HA ASN 103 -4.866 1.468 -0.341 799 HB2 ASN 103 HB2 ASN 103 -7.419 2.937 0.226 800 HB3 ASN 103 HB3 ASN 103 -6.759 2.927 -1.406 801 HD21 ASN 103 HD21 ASN 103 -7.704 0.799 1.248 802 HD22 ASN 103 HD22 ASN 103 -8.217 -0.513 0.247 803 HA PRO 104 HA PRO 104 -2.493 5.050 -1.237 804 HB2 PRO 104 HB2 PRO 104 -2.686 5.174 -3.942 805 HB3 PRO 104 HB3 PRO 104 -1.733 3.945 -3.102 806 HG2 PRO 104 HG2 PRO 104 -4.484 3.741 -4.265 807 HG3 PRO 104 HG3 PRO 104 -3.146 2.581 -4.348 808 HD2 PRO 104 HD2 PRO 104 -5.207 2.305 -2.614 809 HD3 PRO 104 HD3 PRO 104 -3.561 1.758 -2.235 810 H ILE 105 H ILE 105 -3.692 6.720 -0.295 811 HA ILE 105 HA ILE 105 -5.859 7.935 -1.809 812 HB ILE 105 HB ILE 105 -4.695 8.902 0.799 813 HG12 ILE 105 HG12 ILE 105 -5.379 6.583 1.087 814 HG13 ILE 105 HG13 ILE 105 -6.527 7.646 1.893 815 HG21 ILE 105 HG21 ILE 105 -7.252 9.420 -0.688 816 HG22 ILE 105 HG22 ILE 105 -7.075 9.772 1.030 817 HG23 ILE 105 HG23 ILE 105 -6.040 10.581 -0.146 818 HD11 ILE 105 HD11 ILE 105 -6.914 6.349 -0.794 819 HD12 ILE 105 HD12 ILE 105 -7.656 5.843 0.725 820 HD13 ILE 105 HD13 ILE 105 -8.067 7.407 0.020 821 H TYR 106 H TYR 106 -5.867 10.124 -2.468 822 HA TYR 106 HA TYR 106 -3.480 11.716 -2.325 823 HB2 TYR 106 HB2 TYR 106 -3.379 11.857 -4.905 824 HB3 TYR 106 HB3 TYR 106 -2.647 10.464 -4.116 825 HD1 TYR 106 HD1 TYR 106 -3.722 8.259 -4.240 826 HD2 TYR 106 HD2 TYR 106 -5.320 11.618 -6.305 827 HE1 TYR 106 HE1 TYR 106 -5.096 6.752 -5.616 828 HE2 TYR 106 HE2 TYR 106 -6.699 10.121 -7.686 829 HH TYR 106 HH TYR 106 -6.211 7.133 -8.208 830 H ALA 107 H ALA 107 -4.025 13.802 -2.349 831 HA ALA 107 HA ALA 107 -5.971 14.961 -4.022 832 HB1 ALA 107 HB1 ALA 107 -7.846 15.213 -2.721 833 HB2 ALA 107 HB2 ALA 107 -7.320 13.600 -2.238 834 HB3 ALA 107 HB3 ALA 107 -6.962 14.989 -1.211 835 H ASP 108 H ASP 108 -3.861 16.126 -4.078 836 HA ASP 108 HA ASP 108 -3.657 18.103 -1.904 837 HB2 ASP 108 HB2 ASP 108 -1.347 18.308 -2.335 838 HB3 ASP 108 HB3 ASP 108 -1.665 16.577 -2.421 839 H GLY 109 H GLY 109 -2.188 20.052 -3.106 840 HA2 GLY 109 HA2 GLY 109 -3.039 20.840 -5.671 841 HA3 GLY 109 HA3 GLY 109 -4.122 21.545 -4.480 842 H SER 110 H SER 110 -0.599 21.015 -4.619 843 HA SER 110 HA SER 110 -0.209 23.735 -3.627 844 HB2 SER 110 HB2 SER 110 2.048 21.828 -4.128 845 HB3 SER 110 HB3 SER 110 1.888 23.068 -2.884 846 HG SER 110 HG SER 110 1.223 20.457 -2.781 847 H HIS 111 H HIS 111 1.364 21.685 -6.090 848 HA HIS 111 HA HIS 111 1.041 23.567 -8.178 849 HB2 HIS 111 HB2 HIS 111 3.221 24.078 -6.415 850 HB3 HIS 111 HB3 HIS 111 3.883 23.533 -7.953 851 HD1 HIS 111 HD1 HIS 111 1.892 24.860 -9.880 852 HD2 HIS 111 HD2 HIS 111 3.584 26.767 -6.600 853 HE1 HIS 111 HE1 HIS 111 1.766 27.319 -10.393 854 H HIS 112 H HIS 112 2.967 23.009 -9.915 855 HA HIS 112 HA HIS 112 3.655 21.458 -11.432 856 HB2 HIS 112 HB2 HIS 112 4.176 20.142 -8.803 857 HB3 HIS 112 HB3 HIS 112 4.340 19.176 -10.267 858 HD1 HIS 112 HD1 HIS 112 6.116 20.113 -12.054 859 HD2 HIS 112 HD2 HIS 112 6.313 21.744 -8.238 860 HE1 HIS 112 HE1 HIS 112 8.371 21.217 -11.911 861 H HIS 113 H HIS 113 1.192 21.616 -11.866 862 HA HIS 113 HA HIS 113 0.114 18.876 -11.816 863 HB2 HIS 113 HB2 HIS 113 -2.174 19.940 -11.737 864 HB3 HIS 113 HB3 HIS 113 -1.223 20.105 -10.264 865 HD1 HIS 113 HD1 HIS 113 -2.547 22.094 -13.157 866 HD2 HIS 113 HD2 HIS 113 -0.555 22.710 -9.564 867 HE1 HIS 113 HE1 HIS 113 -2.599 24.580 -12.777 868 H HIS 114 H HIS 114 -0.830 18.135 -13.678 869 HA HIS 114 HA HIS 114 -0.851 19.971 -15.980 870 HB2 HIS 114 HB2 HIS 114 1.045 18.132 -15.778 871 HB3 HIS 114 HB3 HIS 114 -0.226 17.081 -16.395 872 HD1 HIS 114 HD1 HIS 114 -1.339 17.981 -18.732 873 HD2 HIS 114 HD2 HIS 114 2.402 19.467 -17.707 874 HE1 HIS 114 HE1 HIS 114 -0.380 18.916 -20.861 875 H HIS 115 H HIS 115 -2.998 19.076 -14.176 876 HA HIS 115 HA HIS 115 -4.664 17.582 -16.091 877 HB2 HIS 115 HB2 HIS 115 -4.392 16.422 -13.958 878 HB3 HIS 115 HB3 HIS 115 -4.958 17.847 -13.091 879 HD1 HIS 115 HD1 HIS 115 -6.297 15.482 -15.761 880 HD2 HIS 115 HD2 HIS 115 -7.595 17.739 -12.523 881 HE1 HIS 115 HE1 HIS 115 -8.744 14.960 -15.515 882 H HIS 116 H HIS 116 -5.176 19.492 -17.267 883 HA HIS 116 HA HIS 116 -7.240 21.110 -15.946 884 HB2 HIS 116 HB2 HIS 116 -4.700 22.044 -16.943 885 HB3 HIS 116 HB3 HIS 116 -6.016 22.790 -17.844 886 HD1 HIS 116 HD1 HIS 116 -7.634 24.336 -16.516 887 HD2 HIS 116 HD2 HIS 116 -4.443 22.867 -14.297 888 HE1 HIS 116 HE1 HIS 116 -7.580 25.721 -14.417 889 H2 B6D 117 H2 B6D 117 7.422 33.288 3.966 890 H1 B6D 117 H1 B6D 117 9.328 31.721 2.126 891 H3 B6D 117 H3 B6D 117 9.105 34.209 1.583 892 HN2 B6D 117 HN2 B6D 117 5.893 32.693 2.432 893 H5 B6D 117 H5 B6D 117 11.243 33.291 2.838 894 H8 B6D 117 H22 B6D 117 4.888 32.664 0.093 895 H8A B6D 117 H21 B6D 117 5.550 31.016 0.207 896 H8B B6D 117 H23 B6D 117 5.987 32.061 -1.172 897 H4 B6D 117 H4 B6D 117 9.271 34.874 4.562 898 HN4 B6D 117 HN4 B6D 117 10.521 36.074 2.223 899 H9 B6D 117 H43 B6D 117 12.295 38.542 4.176 900 H9A B6D 117 H41 B6D 117 13.016 37.355 3.056 901 H9B B6D 117 H42 B6D 117 11.524 38.212 2.597 902 H6 B6D 117 H62 B6D 117 12.083 32.641 5.220 903 H6A B6D 117 H63 B6D 117 12.547 34.237 4.598 904 H6B B6D 117 H61 B6D 117 11.233 34.095 5.776 905 H1 A2G 118 H1 A2G 118 9.006 36.590 1.177 906 H2 A2G 118 H2 A2G 118 7.398 38.462 0.825 907 H3 A2G 118 H3 A2G 118 5.670 36.863 2.777 908 H4 A2G 118 H4 A2G 118 4.067 36.774 0.958 909 H5 A2G 118 H5 A2G 118 5.623 35.038 0.995 910 H61 A2G 118 H61 A2G 118 4.880 35.833 -1.757 911 H62 A2G 118 H62 A2G 118 4.499 34.380 -0.822 912 H81 A2G 118 H81 A2G 118 9.183 41.101 4.046 913 H82 A2G 118 H82 A2G 118 10.603 40.042 3.850 914 H83 A2G 118 H83 A2G 118 9.197 39.471 4.784 915 HO3 A2G 118 HO3 A2G 118 4.426 38.588 2.978 916 HO6 A2G 118 HO6 A2G 118 7.132 34.911 -1.767 917 HN2 A2G 118 HN2 A2G 118 7.766 38.129 3.731 918 H1 A2G 119 H1 A2G 119 3.425 37.150 -1.328 919 H2 A2G 119 H2 A2G 119 3.378 38.800 -3.196 920 H3 A2G 119 H3 A2G 119 5.851 39.919 -1.787 921 H4 A2G 119 H4 A2G 119 4.554 41.960 -1.586 922 H5 A2G 119 H5 A2G 119 4.302 40.447 0.171 923 H61 A2G 119 H61 A2G 119 1.415 41.219 -0.169 924 H62 A2G 119 H62 A2G 119 2.687 42.386 0.219 925 H81 A2G 119 H81 A2G 119 5.965 35.520 -4.556 926 H82 A2G 119 H82 A2G 119 6.916 36.755 -5.419 927 H83 A2G 119 H83 A2G 119 5.518 35.998 -6.222 928 HO3 A2G 119 HO3 A2G 119 6.068 39.860 -4.082 929 HO6 A2G 119 HO6 A2G 119 3.241 40.955 2.025 930 HN2 A2G 119 HN2 A2G 119 5.804 37.189 -2.791 931 H1 A2G 120 H1 A2G 120 2.669 43.295 -1.955 932 H2 A2G 120 H2 A2G 120 0.752 43.862 -3.444 933 H3 A2G 120 H3 A2G 120 1.107 40.976 -4.393 934 H4 A2G 120 H4 A2G 120 1.502 41.964 -6.575 935 H5 A2G 120 H5 A2G 120 3.400 41.705 -5.244 936 H61 A2G 120 H61 A2G 120 3.975 44.463 -6.295 937 H62 A2G 120 H62 A2G 120 3.766 43.057 -7.348 938 H81 A2G 120 H81 A2G 120 -0.433 42.415 1.028 939 H82 A2G 120 H82 A2G 120 -1.261 41.490 -0.249 940 H83 A2G 120 H83 A2G 120 -1.845 43.117 0.183 941 HO6 A2G 120 HO6 A2G 120 5.901 43.033 -6.900 942 HN2 A2G 120 HN2 A2G 120 -0.326 41.500 -2.264 943 H1 A2G 121 H1 A2G 121 2.065 43.938 -7.932 944 H2 A2G 121 H2 A2G 121 1.301 46.223 -8.572 945 H3 A2G 121 H3 A2G 121 0.012 46.174 -5.799 946 H4 A2G 121 H4 A2G 121 -2.077 46.476 -6.996 947 H5 A2G 121 H5 A2G 121 -1.428 44.259 -6.675 948 H61 A2G 121 H61 A2G 121 -3.319 44.712 -8.516 949 H62 A2G 121 H62 A2G 121 -2.861 43.107 -7.928 950 H81 A2G 121 H81 A2G 121 4.593 47.426 -5.834 951 H82 A2G 121 H82 A2G 121 5.088 48.478 -7.185 952 H83 A2G 121 H83 A2G 121 5.629 46.781 -7.143 953 HO3 A2G 121 HO3 A2G 121 0.590 48.207 -5.912 954 HO6 A2G 121 HO6 A2G 121 -1.167 43.420 -9.794 955 HN2 A2G 121 HN2 A2G 121 2.715 46.197 -5.968 956 H1 A2G 122 H1 A2G 122 -3.370 46.712 -8.989 957 H2 A2G 122 H2 A2G 122 -3.487 47.776 -11.240 958 H3 A2G 122 H3 A2G 122 -0.436 47.639 -11.062 959 H4 A2G 122 H4 A2G 122 -0.526 50.055 -11.271 960 H5 A2G 122 H5 A2G 122 -0.637 49.243 -9.088 961 H61 A2G 122 H61 A2G 122 -0.993 51.146 -8.011 962 H62 A2G 122 H62 A2G 122 -2.729 51.081 -8.346 963 H81 A2G 122 H81 A2G 122 -2.101 43.964 -13.710 964 H82 A2G 122 H82 A2G 122 -3.875 43.806 -13.661 965 H83 A2G 122 H83 A2G 122 -2.919 43.475 -12.195 966 HO3 A2G 122 HO3 A2G 122 -2.162 48.064 -13.253 967 HO6 A2G 122 HO6 A2G 122 -1.586 52.892 -9.342 968 HN2 A2G 122 HN2 A2G 122 -2.277 45.183 -10.818 969 H2 BGC 123 H2 BGC 123 -3.024 41.720 -5.724 970 H3 BGC 123 H3 BGC 123 -3.008 38.825 -6.665 971 H4 BGC 123 H4 BGC 123 -2.887 41.213 -8.582 972 H5 BGC 123 H5 BGC 123 -0.673 39.217 -7.867 973 H6C1 BGC 123 H61 BGC 123 0.199 39.704 -9.919 974 H6C2 BGC 123 H62 BGC 123 -1.013 40.961 -10.227 975 H1 BGC 123 H1 BGC 123 -0.554 39.928 -5.487 976 HB BGC 123 HO2 BGC 123 -2.695 39.150 -4.550 977 HC BGC 123 HO3 BGC 123 -4.965 39.664 -7.654 978 HD BGC 123 HO4 BGC 123 -2.466 38.427 -9.059 979 H6 BGC 123 HO6 BGC 123 1.021 41.943 -10.039 Start of MODEL 2 1 H1 ASP 1 H ASP 1 1.926 -1.191 -3.066 2 HA ASP 1 HA ASP 1 2.280 -0.236 -0.328 3 HB2 ASP 1 HB2 ASP 1 3.613 -2.142 -0.803 4 HB3 ASP 1 HB3 ASP 1 4.152 -1.475 -2.341 5 H VAL 2 H VAL 2 2.586 1.844 0.061 6 HA VAL 2 HA VAL 2 3.553 3.570 -2.112 7 HB VAL 2 HB VAL 2 2.272 4.493 0.454 8 HG11 VAL 2 HG11 VAL 2 1.654 6.331 -1.409 9 HG12 VAL 2 HG12 VAL 2 3.104 6.410 -0.406 10 HG13 VAL 2 HG13 VAL 2 3.197 5.760 -2.044 11 HG21 VAL 2 HG21 VAL 2 1.055 3.157 -1.808 12 HG22 VAL 2 HG22 VAL 2 0.355 3.604 -0.252 13 HG23 VAL 2 HG23 VAL 2 0.396 4.775 -1.569 14 H ILE 3 H ILE 3 5.079 5.252 -1.624 15 HA ILE 3 HA ILE 3 6.771 4.671 0.718 16 HB ILE 3 HB ILE 3 7.703 5.422 -2.055 17 HG12 ILE 3 HG12 ILE 3 8.171 2.909 -0.434 18 HG13 ILE 3 HG13 ILE 3 7.024 3.051 -1.762 19 HG21 ILE 3 HG21 ILE 3 9.986 5.077 -1.044 20 HG22 ILE 3 HG22 ILE 3 9.129 6.527 -0.521 21 HG23 ILE 3 HG23 ILE 3 9.201 5.116 0.535 22 HD11 ILE 3 HD11 ILE 3 8.879 2.041 -2.718 23 HD12 ILE 3 HD12 ILE 3 9.050 3.737 -3.170 24 HD13 ILE 3 HD13 ILE 3 10.012 3.076 -1.850 25 H ILE 4 H ILE 4 7.122 6.350 2.012 26 HA ILE 4 HA ILE 4 6.090 8.945 1.329 27 HB ILE 4 HB ILE 4 7.571 7.980 3.777 28 HG12 ILE 4 HG12 ILE 4 4.650 8.643 3.345 29 HG13 ILE 4 HG13 ILE 4 5.318 7.015 3.420 30 HG21 ILE 4 HG21 ILE 4 6.158 10.293 4.412 31 HG22 ILE 4 HG22 ILE 4 7.907 10.119 4.274 32 HG23 ILE 4 HG23 ILE 4 6.962 10.655 2.885 33 HD11 ILE 4 HD11 ILE 4 5.334 7.018 5.643 34 HD12 ILE 4 HD12 ILE 4 6.013 8.644 5.727 35 HD13 ILE 4 HD13 ILE 4 4.276 8.423 5.519 36 H LYS 5 H LYS 5 7.235 10.106 -0.098 37 HA LYS 5 HA LYS 5 10.120 10.440 0.409 38 HB2 LYS 5 HB2 LYS 5 8.589 10.235 -2.165 39 HB3 LYS 5 HB3 LYS 5 10.126 11.089 -2.110 40 HG2 LYS 5 HG2 LYS 5 11.325 9.195 -1.921 41 HG3 LYS 5 HG3 LYS 5 10.120 8.406 -0.900 42 HD2 LYS 5 HD2 LYS 5 8.762 7.879 -2.804 43 HD3 LYS 5 HD3 LYS 5 9.785 8.850 -3.864 44 HE2 LYS 5 HE2 LYS 5 11.646 7.199 -2.922 45 HE3 LYS 5 HE3 LYS 5 10.244 6.151 -2.718 46 HZ1 LYS 5 HZ1 LYS 5 9.999 7.229 -5.237 47 HZ2 LYS 5 HZ2 LYS 5 10.455 5.647 -4.851 48 HZ3 LYS 5 HZ3 LYS 5 11.637 6.832 -5.095 49 HA PRO 6 HA PRO 6 9.366 14.732 0.991 50 HB2 PRO 6 HB2 PRO 6 11.789 15.729 0.280 51 HB3 PRO 6 HB3 PRO 6 11.515 14.857 1.793 52 HG2 PRO 6 HG2 PRO 6 12.674 13.864 -0.782 53 HG3 PRO 6 HG3 PRO 6 13.214 13.559 0.879 54 HD2 PRO 6 HD2 PRO 6 11.752 11.768 -0.530 55 HD3 PRO 6 HD3 PRO 6 11.619 11.933 1.232 56 H GLN 7 H GLN 7 8.676 16.485 -0.149 57 HA GLN 7 HA GLN 7 8.447 16.202 -3.007 58 HB2 GLN 7 HB2 GLN 7 7.047 18.187 -2.899 59 HB3 GLN 7 HB3 GLN 7 6.572 17.045 -1.649 60 HG2 GLN 7 HG2 GLN 7 6.820 18.607 -0.111 61 HG3 GLN 7 HG3 GLN 7 8.520 18.783 -0.547 62 HE21 GLN 7 HE21 GLN 7 6.191 20.651 0.171 63 HE22 GLN 7 HE22 GLN 7 6.299 21.895 -1.023 64 H VAL 8 H VAL 8 10.898 17.230 -1.139 65 HA VAL 8 HA VAL 8 11.991 18.878 -3.283 66 HB VAL 8 HB VAL 8 12.742 20.641 -1.814 67 HG11 VAL 8 HG11 VAL 8 10.554 21.626 -1.177 68 HG12 VAL 8 HG12 VAL 8 10.585 20.986 -2.821 69 HG13 VAL 8 HG13 VAL 8 9.794 20.075 -1.535 70 HG21 VAL 8 HG21 VAL 8 13.125 19.976 0.303 71 HG22 VAL 8 HG22 VAL 8 11.456 20.483 0.563 72 HG23 VAL 8 HG23 VAL 8 11.826 18.783 0.274 73 H SER 9 H SER 9 14.358 19.396 -2.804 74 HA SER 9 HA SER 9 15.597 17.060 -1.501 75 HB2 SER 9 HB2 SER 9 16.944 18.634 -3.679 76 HB3 SER 9 HB3 SER 9 17.239 16.973 -3.167 77 HG SER 9 HG SER 9 14.804 17.806 -4.347 78 H GLY 10 H GLY 10 16.779 17.495 0.234 79 HA2 GLY 10 HA2 GLY 10 18.524 19.778 0.349 80 HA3 GLY 10 HA3 GLY 10 17.143 19.919 1.425 81 H VAL 11 H VAL 11 17.527 19.294 3.433 82 HA VAL 11 HA VAL 11 19.116 16.901 3.930 83 HB VAL 11 HB VAL 11 19.770 19.514 5.295 84 HG11 VAL 11 HG11 VAL 11 20.354 17.959 6.861 85 HG12 VAL 11 HG12 VAL 11 20.637 16.695 5.662 86 HG13 VAL 11 HG13 VAL 11 21.829 17.973 5.894 87 HG21 VAL 11 HG21 VAL 11 20.502 19.511 2.955 88 HG22 VAL 11 HG22 VAL 11 21.871 19.459 4.066 89 HG23 VAL 11 HG23 VAL 11 21.359 17.994 3.230 90 H ILE 12 H ILE 12 18.419 15.759 5.655 91 HA ILE 12 HA ILE 12 15.919 16.241 6.779 92 HB ILE 12 HB ILE 12 18.152 14.566 7.935 93 HG12 ILE 12 HG12 ILE 12 17.535 13.959 5.616 94 HG13 ILE 12 HG13 ILE 12 17.110 12.700 6.769 95 HG21 ILE 12 HG21 ILE 12 16.354 13.346 9.076 96 HG22 ILE 12 HG22 ILE 12 16.429 15.033 9.581 97 HG23 ILE 12 HG23 ILE 12 15.182 14.506 8.451 98 HD11 ILE 12 HD11 ILE 12 14.933 14.554 6.368 99 HD12 ILE 12 HD12 ILE 12 15.465 13.820 4.855 100 HD13 ILE 12 HD13 ILE 12 14.971 12.798 6.204 101 H VAL 13 H VAL 13 15.216 17.060 8.728 102 HA VAL 13 HA VAL 13 17.214 18.553 10.300 103 HB VAL 13 HB VAL 13 14.354 19.431 10.118 104 HG11 VAL 13 HG11 VAL 13 16.601 20.294 11.532 105 HG12 VAL 13 HG12 VAL 13 16.367 21.485 10.252 106 HG13 VAL 13 HG13 VAL 13 15.055 21.125 11.375 107 HG21 VAL 13 HG21 VAL 13 15.245 21.081 8.356 108 HG22 VAL 13 HG22 VAL 13 16.534 19.901 8.115 109 HG23 VAL 13 HG23 VAL 13 14.855 19.440 7.840 110 H ASN 14 H ASN 14 14.209 16.718 10.338 111 HA ASN 14 HA ASN 14 14.764 15.701 12.950 112 HB2 ASN 14 HB2 ASN 14 13.415 18.120 12.932 113 HB3 ASN 14 HB3 ASN 14 12.121 16.935 13.080 114 HD21 ASN 14 HD21 ASN 14 11.600 17.370 15.170 115 HD22 ASN 14 HD22 ASN 14 12.651 17.052 16.503 116 H LYS 15 H LYS 15 12.893 14.293 13.723 117 HA LYS 15 HA LYS 15 11.153 13.342 11.593 118 HB2 LYS 15 HB2 LYS 15 11.893 10.977 11.968 119 HB3 LYS 15 HB3 LYS 15 13.087 11.994 11.173 120 HG2 LYS 15 HG2 LYS 15 13.669 12.254 13.867 121 HG3 LYS 15 HG3 LYS 15 13.252 10.550 13.673 122 HD2 LYS 15 HD2 LYS 15 15.108 11.864 11.730 123 HD3 LYS 15 HD3 LYS 15 15.710 11.337 13.304 124 HE2 LYS 15 HE2 LYS 15 14.568 9.091 12.720 125 HE3 LYS 15 HE3 LYS 15 14.577 9.699 11.065 126 HZ1 LYS 15 HZ1 LYS 15 16.800 9.476 10.900 127 HZ2 LYS 15 HZ2 LYS 15 16.579 8.320 12.114 128 HZ3 LYS 15 HZ3 LYS 15 17.090 9.881 12.517 129 H LEU 16 H LEU 16 9.275 13.613 12.645 130 HA LEU 16 HA LEU 16 9.047 12.761 15.431 131 HB2 LEU 16 HB2 LEU 16 6.755 13.936 13.957 132 HB3 LEU 16 HB3 LEU 16 7.249 14.154 15.635 133 HG LEU 16 HG LEU 16 8.569 15.432 13.241 134 HD11 LEU 16 HD11 LEU 16 7.206 17.041 15.303 135 HD12 LEU 16 HD12 LEU 16 6.166 16.120 14.217 136 HD13 LEU 16 HD13 LEU 16 7.319 17.282 13.560 137 HD21 LEU 16 HD21 LEU 16 9.576 14.930 15.807 138 HD22 LEU 16 HD22 LEU 16 9.129 16.636 15.788 139 HD23 LEU 16 HD23 LEU 16 10.246 16.002 14.578 140 H PHE 17 H PHE 17 9.406 10.599 13.903 141 HA PHE 17 HA PHE 17 6.751 9.348 13.921 142 HB2 PHE 17 HB2 PHE 17 6.877 8.549 11.791 143 HB3 PHE 17 HB3 PHE 17 7.879 9.980 11.568 144 HD1 PHE 17 HD1 PHE 17 10.424 9.660 11.956 145 HD2 PHE 17 HD2 PHE 17 7.702 6.474 11.212 146 HE1 PHE 17 HE1 PHE 17 12.294 8.239 11.224 147 HE2 PHE 17 HE2 PHE 17 9.567 5.047 10.480 148 HZ PHE 17 HZ PHE 17 11.867 5.928 10.486 149 H LYS 18 H LYS 18 7.045 6.862 13.687 150 HA LYS 18 HA LYS 18 9.397 6.007 15.236 151 HB2 LYS 18 HB2 LYS 18 6.493 5.459 15.748 152 HB3 LYS 18 HB3 LYS 18 7.708 4.290 16.247 153 HG2 LYS 18 HG2 LYS 18 8.110 7.121 17.035 154 HG3 LYS 18 HG3 LYS 18 6.851 6.198 17.858 155 HD2 LYS 18 HD2 LYS 18 8.908 4.429 17.909 156 HD3 LYS 18 HD3 LYS 18 9.779 5.962 18.008 157 HE2 LYS 18 HE2 LYS 18 7.803 6.409 19.789 158 HE3 LYS 18 HE3 LYS 18 7.984 4.664 19.954 159 HZ1 LYS 18 HZ1 LYS 18 9.680 5.109 21.292 160 HZ2 LYS 18 HZ2 LYS 18 9.690 6.749 20.881 161 HZ3 LYS 18 HZ3 LYS 18 10.544 5.636 19.936 162 H ALA 19 H ALA 19 9.890 3.704 15.043 163 HA ALA 19 HA ALA 19 9.487 2.802 12.312 164 HB1 ALA 19 HB1 ALA 19 11.004 1.007 14.011 165 HB2 ALA 19 HB2 ALA 19 11.481 1.833 12.528 166 HB3 ALA 19 HB3 ALA 19 11.609 2.662 14.079 167 H GLY 20 H GLY 20 7.616 1.777 11.938 168 HA2 GLY 20 HA2 GLY 20 6.368 -0.233 11.959 169 HA3 GLY 20 HA3 GLY 20 7.026 -0.595 13.548 170 H ASP 21 H ASP 21 5.848 2.592 13.022 171 HA ASP 21 HA ASP 21 3.508 1.966 14.693 172 HB2 ASP 21 HB2 ASP 21 5.511 3.926 14.963 173 HB3 ASP 21 HB3 ASP 21 4.052 4.790 14.484 174 H LYS 22 H LYS 22 1.971 4.172 14.320 175 HA LYS 22 HA LYS 22 1.215 3.949 11.483 176 HB2 LYS 22 HB2 LYS 22 -0.390 4.233 13.997 177 HB3 LYS 22 HB3 LYS 22 -1.052 4.813 12.473 178 HG2 LYS 22 HG2 LYS 22 -0.322 2.387 11.678 179 HG3 LYS 22 HG3 LYS 22 -0.543 2.045 13.396 180 HD2 LYS 22 HD2 LYS 22 -2.654 3.570 11.941 181 HD3 LYS 22 HD3 LYS 22 -2.544 1.823 11.706 182 HE2 LYS 22 HE2 LYS 22 -2.372 1.977 14.399 183 HE3 LYS 22 HE3 LYS 22 -3.391 3.376 14.063 184 HZ1 LYS 22 HZ1 LYS 22 -4.115 0.938 12.671 185 HZ2 LYS 22 HZ2 LYS 22 -5.098 2.087 13.428 186 HZ3 LYS 22 HZ3 LYS 22 -4.324 0.899 14.349 187 H VAL 23 H VAL 23 -0.045 5.904 10.681 188 HA VAL 23 HA VAL 23 0.985 8.408 11.819 189 HB VAL 23 HB VAL 23 1.397 9.255 9.506 190 HG11 VAL 23 HG11 VAL 23 3.203 8.430 10.996 191 HG12 VAL 23 HG12 VAL 23 3.063 6.848 10.226 192 HG13 VAL 23 HG13 VAL 23 3.568 8.248 9.281 193 HG21 VAL 23 HG21 VAL 23 1.878 6.852 8.139 194 HG22 VAL 23 HG22 VAL 23 0.261 6.707 8.828 195 HG23 VAL 23 HG23 VAL 23 0.653 8.069 7.779 196 H LYS 24 H LYS 24 -0.144 10.338 10.915 197 HA LYS 24 HA LYS 24 -2.971 9.695 10.389 198 HB2 LYS 24 HB2 LYS 24 -1.709 11.445 12.298 199 HB3 LYS 24 HB3 LYS 24 -2.760 12.376 11.238 200 HG2 LYS 24 HG2 LYS 24 -3.972 9.903 12.206 201 HG3 LYS 24 HG3 LYS 24 -3.547 11.043 13.486 202 HD2 LYS 24 HD2 LYS 24 -5.783 11.524 12.798 203 HD3 LYS 24 HD3 LYS 24 -4.747 12.816 12.187 204 HE2 LYS 24 HE2 LYS 24 -5.110 12.259 10.031 205 HE3 LYS 24 HE3 LYS 24 -5.114 10.529 10.372 206 HZ1 LYS 24 HZ1 LYS 24 -7.358 10.712 11.201 207 HZ2 LYS 24 HZ2 LYS 24 -7.283 11.332 9.630 208 HZ3 LYS 24 HZ3 LYS 24 -7.358 12.386 10.951 209 H LYS 25 H LYS 25 -4.051 10.721 8.749 210 HA LYS 25 HA LYS 25 -2.630 11.530 6.494 211 HB2 LYS 25 HB2 LYS 25 -4.848 10.750 6.189 212 HB3 LYS 25 HB3 LYS 25 -5.500 11.931 7.318 213 HG2 LYS 25 HG2 LYS 25 -5.146 13.714 5.785 214 HG3 LYS 25 HG3 LYS 25 -4.215 12.675 4.703 215 HD2 LYS 25 HD2 LYS 25 -6.881 11.642 5.279 216 HD3 LYS 25 HD3 LYS 25 -6.905 13.225 4.498 217 HE2 LYS 25 HE2 LYS 25 -5.189 12.184 2.869 218 HE3 LYS 25 HE3 LYS 25 -5.760 10.641 3.502 219 HZ1 LYS 25 HZ1 LYS 25 -7.156 10.941 1.737 220 HZ2 LYS 25 HZ2 LYS 25 -7.186 12.625 1.879 221 HZ3 LYS 25 HZ3 LYS 25 -8.076 11.669 2.955 222 H GLY 26 H GLY 26 -1.140 13.140 6.930 223 HA2 GLY 26 HA2 GLY 26 -0.823 15.491 6.484 224 HA3 GLY 26 HA3 GLY 26 -2.317 15.809 7.352 225 H GLN 27 H GLN 27 -0.409 13.475 8.878 226 HA GLN 27 HA GLN 27 0.273 15.376 10.974 227 HB2 GLN 27 HB2 GLN 27 -0.796 13.033 11.303 228 HB3 GLN 27 HB3 GLN 27 0.841 12.430 11.084 229 HG2 GLN 27 HG2 GLN 27 0.954 14.548 12.955 230 HG3 GLN 27 HG3 GLN 27 -0.373 13.484 13.421 231 HE21 GLN 27 HE21 GLN 27 0.519 11.042 12.689 232 HE22 GLN 27 HE22 GLN 27 1.937 10.624 13.584 233 H THR 28 H THR 28 2.296 15.990 11.513 234 HA THR 28 HA THR 28 4.375 15.799 9.643 235 HB THR 28 HB THR 28 4.958 16.344 12.531 236 HG1 THR 28 HG1 THR 28 3.383 17.764 12.493 237 HG21 THR 28 HG21 THR 28 6.001 18.331 10.884 238 HG22 THR 28 HG22 THR 28 6.192 16.843 9.957 239 HG23 THR 28 HG23 THR 28 6.879 16.969 11.576 240 H LEU 29 H LEU 29 5.993 14.385 9.342 241 HA LEU 29 HA LEU 29 6.448 12.328 11.395 242 HB2 LEU 29 HB2 LEU 29 6.567 11.764 8.448 243 HB3 LEU 29 HB3 LEU 29 6.565 10.612 9.781 244 HG LEU 29 HG LEU 29 4.202 12.338 9.057 245 HD11 LEU 29 HD11 LEU 29 3.376 9.968 8.286 246 HD12 LEU 29 HD12 LEU 29 5.099 9.691 8.035 247 HD13 LEU 29 HD13 LEU 29 4.287 11.012 7.195 248 HD21 LEU 29 HD21 LEU 29 4.002 11.647 11.293 249 HD22 LEU 29 HD22 LEU 29 4.643 10.043 10.945 250 HD23 LEU 29 HD23 LEU 29 3.038 10.495 10.371 251 H PHE 30 H PHE 30 7.727 14.139 8.656 252 HA PHE 30 HA PHE 30 10.414 13.821 9.787 253 HB2 PHE 30 HB2 PHE 30 9.678 13.462 6.876 254 HB3 PHE 30 HB3 PHE 30 11.328 13.612 7.468 255 HD1 PHE 30 HD1 PHE 30 12.348 11.831 8.780 256 HD2 PHE 30 HD2 PHE 30 8.420 11.445 7.188 257 HE1 PHE 30 HE1 PHE 30 12.430 9.404 9.176 258 HE2 PHE 30 HE2 PHE 30 8.495 9.017 7.582 259 HZ PHE 30 HZ PHE 30 10.501 7.994 8.578 260 H ILE 31 H ILE 31 11.964 15.378 8.519 261 HA ILE 31 HA ILE 31 10.671 17.830 7.658 262 HB ILE 31 HB ILE 31 12.500 17.820 10.063 263 HG12 ILE 31 HG12 ILE 31 9.542 18.403 9.810 264 HG13 ILE 31 HG13 ILE 31 10.270 17.039 10.649 265 HG21 ILE 31 HG21 ILE 31 12.103 20.216 10.143 266 HG22 ILE 31 HG22 ILE 31 12.815 19.759 8.596 267 HG23 ILE 31 HG23 ILE 31 11.090 20.113 8.703 268 HD11 ILE 31 HD11 ILE 31 10.066 19.883 11.463 269 HD12 ILE 31 HD12 ILE 31 9.832 18.411 12.407 270 HD13 ILE 31 HD13 ILE 31 11.462 18.951 12.006 271 H ILE 32 H ILE 32 11.864 18.905 6.192 272 HA ILE 32 HA ILE 32 14.741 18.372 6.025 273 HB ILE 32 HB ILE 32 12.750 17.943 3.812 274 HG12 ILE 32 HG12 ILE 32 15.079 16.171 4.202 275 HG13 ILE 32 HG13 ILE 32 13.922 16.186 5.528 276 HG21 ILE 32 HG21 ILE 32 15.690 18.539 3.589 277 HG22 ILE 32 HG22 ILE 32 14.778 17.717 2.322 278 HG23 ILE 32 HG23 ILE 32 14.346 19.360 2.795 279 HD11 ILE 32 HD11 ILE 32 12.388 15.983 3.207 280 HD12 ILE 32 HD12 ILE 32 13.757 14.895 2.975 281 HD13 ILE 32 HD13 ILE 32 12.722 14.721 4.392 282 H GLU 33 H GLU 33 15.938 20.106 5.459 283 HA GLU 33 HA GLU 33 14.493 22.608 4.972 284 HB2 GLU 33 HB2 GLU 33 16.436 23.753 5.757 285 HB3 GLU 33 HB3 GLU 33 16.122 22.434 6.876 286 HG2 GLU 33 HG2 GLU 33 17.816 21.188 5.242 287 HG3 GLU 33 HG3 GLU 33 18.372 22.844 5.007 288 H GLN 34 H GLN 34 14.641 23.704 3.109 289 HA GLN 34 HA GLN 34 16.828 23.242 1.267 290 HB2 GLN 34 HB2 GLN 34 15.559 22.440 -0.553 291 HB3 GLN 34 HB3 GLN 34 15.058 21.465 0.822 292 HG2 GLN 34 HG2 GLN 34 13.563 23.808 -0.334 293 HG3 GLN 34 HG3 GLN 34 13.152 22.104 -0.527 294 HE21 GLN 34 HE21 GLN 34 13.392 21.076 1.922 295 HE22 GLN 34 HE22 GLN 34 12.304 21.837 3.028 296 H ASP 35 H ASP 35 15.873 24.437 -0.976 297 HA ASP 35 HA ASP 35 14.460 26.862 -0.397 298 HB2 ASP 35 HB2 ASP 35 17.445 26.851 -0.554 299 HB3 ASP 35 HB3 ASP 35 16.567 28.215 -1.240 300 H GLN 36 H GLN 36 14.483 24.578 -2.283 301 HA GLN 36 HA GLN 36 14.503 26.150 -4.769 302 HB2 GLN 36 HB2 GLN 36 15.322 24.214 -6.002 303 HB3 GLN 36 HB3 GLN 36 16.461 24.664 -4.740 304 HG2 GLN 36 HG2 GLN 36 16.400 22.367 -4.578 305 HG3 GLN 36 HG3 GLN 36 15.263 22.873 -3.330 306 HE21 GLN 36 HE21 GLN 36 13.425 21.812 -3.296 307 HE22 GLN 36 HE22 GLN 36 12.677 21.016 -4.635 308 H ALA 37 H ALA 37 12.628 24.644 -2.613 309 HA ALA 37 HA ALA 37 10.984 22.862 -3.906 310 HB1 ALA 37 HB1 ALA 37 10.955 23.985 -1.472 311 HB2 ALA 37 HB2 ALA 37 9.604 24.847 -2.210 312 HB3 ALA 37 HB3 ALA 37 9.593 23.084 -2.139 313 H SER 38 H SER 38 10.174 26.319 -3.540 314 HA SER 38 HA SER 38 9.357 26.492 -6.307 315 HB2 SER 38 HB2 SER 38 7.436 25.743 -4.401 316 HB3 SER 38 HB3 SER 38 7.138 27.452 -4.717 317 HG SER 38 HG SER 38 6.145 25.732 -6.148 318 H LYS 39 H LYS 39 8.972 28.643 -7.003 319 HA LYS 39 HA LYS 39 10.599 30.582 -5.814 320 HB2 LYS 39 HB2 LYS 39 8.310 30.979 -7.749 321 HB3 LYS 39 HB3 LYS 39 9.562 32.162 -7.395 322 HG2 LYS 39 HG2 LYS 39 9.862 29.519 -8.792 323 HG3 LYS 39 HG3 LYS 39 10.138 31.135 -9.445 324 HD2 LYS 39 HD2 LYS 39 11.825 31.082 -7.289 325 HD3 LYS 39 HD3 LYS 39 11.901 29.415 -7.863 326 HE2 LYS 39 HE2 LYS 39 12.072 31.544 -9.912 327 HE3 LYS 39 HE3 LYS 39 13.454 31.370 -8.830 328 HZ1 LYS 39 HZ1 LYS 39 12.679 29.738 -11.018 329 HZ2 LYS 39 HZ2 LYS 39 12.793 28.813 -9.607 330 HZ3 LYS 39 HZ3 LYS 39 14.120 29.723 -10.132 331 H ASP 40 H ASP 40 7.368 29.650 -5.133 332 HA ASP 40 HA ASP 40 6.575 32.122 -3.897 333 HB2 ASP 40 HB2 ASP 40 5.369 29.470 -4.370 334 HB3 ASP 40 HB3 ASP 40 4.829 30.289 -2.907 335 H PHE 41 H PHE 41 8.749 29.827 -3.018 336 HA PHE 41 HA PHE 41 8.150 30.004 -0.152 337 HB2 PHE 41 HB2 PHE 41 9.934 28.175 -1.752 338 HB3 PHE 41 HB3 PHE 41 10.017 28.265 0.003 339 HD1 PHE 41 HD2 PHE 41 7.469 27.844 -2.690 340 HD2 PHE 41 HD1 PHE 41 8.789 26.749 1.206 341 HE1 PHE 41 HE2 PHE 41 5.627 26.221 -2.526 342 HE2 PHE 41 HE1 PHE 41 6.949 25.124 1.376 343 HZ PHE 41 HZ PHE 41 5.365 24.859 -0.491 344 H ASN 42 H ASN 42 11.279 29.674 -1.772 345 HA ASN 42 HA ASN 42 12.222 32.271 -1.405 346 HB2 ASN 42 HB2 ASN 42 11.897 31.124 1.051 347 HB3 ASN 42 HB3 ASN 42 13.573 30.714 0.700 348 HD21 ASN 42 HD21 ASN 42 14.358 32.920 -0.743 349 H ARG 43 H ARG 43 14.133 32.506 -2.438 350 HA ARG 43 HA ARG 43 15.687 30.072 -3.012 351 HB2 ARG 43 HB2 ARG 43 16.167 31.052 -5.262 352 HB3 ARG 43 HB3 ARG 43 14.486 30.596 -5.019 353 HG2 ARG 43 HG2 ARG 43 14.479 33.206 -4.227 354 HG3 ARG 43 HG3 ARG 43 15.671 33.215 -5.529 355 HD2 ARG 43 HD2 ARG 43 13.530 31.637 -6.431 356 HD3 ARG 43 HD3 ARG 43 12.808 33.059 -5.679 357 HE ARG 43 HE ARG 43 14.965 33.659 -7.486 358 HH11 ARG 43 HH11 ARG 43 11.544 33.091 -7.184 359 HH12 ARG 43 HH12 ARG 43 11.140 33.964 -8.625 360 HH21 ARG 43 HH21 ARG 43 14.447 34.810 -9.386 361 HH22 ARG 43 HH22 ARG 43 12.791 34.940 -9.877 362 H SER 44 H SER 44 15.695 33.582 -2.667 363 HA SER 44 HA SER 44 18.374 34.135 -3.034 364 HB2 SER 44 HB2 SER 44 16.892 35.478 -0.801 365 HB3 SER 44 HB3 SER 44 17.979 36.178 -2.000 366 HG SER 44 HG SER 44 16.245 36.655 -3.067 367 H LYS 45 H LYS 45 16.806 32.543 -0.375 368 HA LYS 45 HA LYS 45 18.618 32.850 1.681 369 HB2 LYS 45 HB2 LYS 45 16.960 30.457 0.889 370 HB3 LYS 45 HB3 LYS 45 17.894 30.518 2.378 371 HG2 LYS 45 HG2 LYS 45 16.615 32.532 3.042 372 HG3 LYS 45 HG3 LYS 45 15.623 32.334 1.596 373 HD2 LYS 45 HD2 LYS 45 14.536 30.508 2.426 374 HD3 LYS 45 HD3 LYS 45 15.922 29.984 3.385 375 HE2 LYS 45 HE2 LYS 45 15.042 30.928 5.190 376 HE3 LYS 45 HE3 LYS 45 15.039 32.495 4.384 377 HZ1 LYS 45 HZ1 LYS 45 12.853 32.390 4.049 378 HZ2 LYS 45 HZ2 LYS 45 12.838 31.139 5.189 379 HZ3 LYS 45 HZ3 LYS 45 12.899 30.777 3.537 380 H ALA 46 H ALA 46 18.906 30.960 -1.231 381 HA ALA 46 HA ALA 46 21.719 30.607 -0.804 382 HB1 ALA 46 HB1 ALA 46 20.628 27.962 -1.290 383 HB2 ALA 46 HB2 ALA 46 21.842 28.489 -0.124 384 HB3 ALA 46 HB3 ALA 46 20.127 28.621 0.267 385 H LEU 47 H LEU 47 22.333 31.316 -2.751 386 HA LEU 47 HA LEU 47 21.108 30.065 -5.121 387 HB2 LEU 47 HB2 LEU 47 22.325 32.813 -5.066 388 HB3 LEU 47 HB3 LEU 47 21.350 32.083 -6.340 389 HG LEU 47 HG LEU 47 20.213 32.664 -3.621 390 HD11 LEU 47 HD11 LEU 47 19.324 34.635 -5.377 391 HD12 LEU 47 HD12 LEU 47 21.072 34.569 -5.604 392 HD13 LEU 47 HD13 LEU 47 20.401 34.842 -3.997 393 HD21 LEU 47 HD21 LEU 47 18.948 32.408 -6.347 394 HD22 LEU 47 HD22 LEU 47 18.107 32.635 -4.813 395 HD23 LEU 47 HD23 LEU 47 18.991 31.140 -5.123 396 H PHE 48 H PHE 48 22.448 29.053 -6.481 397 HA PHE 48 HA PHE 48 25.255 29.774 -6.618 398 HB2 PHE 48 HB2 PHE 48 26.049 27.497 -6.167 399 HB3 PHE 48 HB3 PHE 48 25.202 28.158 -4.771 400 HD1 PHE 48 HD1 PHE 48 22.773 27.479 -4.428 401 HD2 PHE 48 HD2 PHE 48 25.407 25.465 -7.098 402 HE1 PHE 48 HE1 PHE 48 21.300 25.510 -4.391 403 HE2 PHE 48 HE2 PHE 48 23.936 23.492 -7.066 404 HZ PHE 48 HZ PHE 48 21.879 23.514 -5.712 405 H SER 49 H SER 49 25.866 29.734 -8.672 406 HA SER 49 HA SER 49 25.339 27.640 -10.475 407 HB2 SER 49 HB2 SER 49 23.247 29.613 -10.266 408 HB3 SER 49 HB3 SER 49 23.968 29.671 -11.874 409 HG SER 49 HG SER 49 22.709 27.507 -10.574 410 H GLN 50 H GLN 50 25.781 31.167 -10.336 411 HA GLN 50 HA GLN 50 28.366 31.033 -11.502 412 HB2 GLN 50 HB2 GLN 50 27.743 32.388 -13.559 413 HB3 GLN 50 HB3 GLN 50 27.319 30.682 -13.590 414 HG2 GLN 50 HG2 GLN 50 25.017 31.251 -12.979 415 HG3 GLN 50 HG3 GLN 50 25.449 32.961 -12.983 416 HE21 GLN 50 HE21 GLN 50 25.458 34.050 -14.858 417 HE22 GLN 50 HE22 GLN 50 25.126 33.351 -16.402 418 H SER 51 H SER 51 28.430 32.191 -9.404 419 HA SER 51 HA SER 51 28.664 34.084 -8.163 420 HB2 SER 51 HB2 SER 51 28.627 35.654 -10.734 421 HB3 SER 51 HB3 SER 51 29.531 35.985 -9.257 422 HG SER 51 HG SER 51 30.049 34.125 -11.288 423 H ALA 52 H ALA 52 26.089 33.236 -8.287 424 HA ALA 52 HA ALA 52 24.179 35.068 -9.193 425 HB1 ALA 52 HB1 ALA 52 24.152 32.636 -7.843 426 HB2 ALA 52 HB2 ALA 52 23.349 33.766 -6.753 427 HB3 ALA 52 HB3 ALA 52 22.754 33.557 -8.400 428 H ILE 53 H ILE 53 25.460 34.666 -5.885 429 HA ILE 53 HA ILE 53 24.914 37.524 -5.433 430 HB ILE 53 HB ILE 53 24.524 36.812 -2.983 431 HG12 ILE 53 HG12 ILE 53 23.415 34.279 -4.053 432 HG13 ILE 53 HG13 ILE 53 25.164 34.343 -3.865 433 HG21 ILE 53 HG21 ILE 53 22.844 37.694 -4.665 434 HG22 ILE 53 HG22 ILE 53 22.371 36.015 -4.923 435 HG23 ILE 53 HG23 ILE 53 22.193 36.746 -3.329 436 HD11 ILE 53 HD11 ILE 53 24.563 35.235 -1.480 437 HD12 ILE 53 HD12 ILE 53 23.028 34.424 -1.801 438 HD13 ILE 53 HD13 ILE 53 24.535 33.508 -1.837 439 H SER 54 H SER 54 26.780 38.533 -5.141 440 HA SER 54 HA SER 54 29.231 37.297 -4.614 441 HB2 SER 54 HB2 SER 54 28.273 39.970 -5.044 442 HB3 SER 54 HB3 SER 54 29.403 39.970 -3.690 443 HG SER 54 HG SER 54 30.283 40.190 -5.918 444 H GLN 55 H GLN 55 29.709 36.202 -2.828 445 HA GLN 55 HA GLN 55 28.459 36.624 -0.320 446 HB2 GLN 55 HB2 GLN 55 30.921 35.060 -1.103 447 HB3 GLN 55 HB3 GLN 55 30.247 35.059 0.522 448 HG2 GLN 55 HG2 GLN 55 28.220 34.479 -1.443 449 HG3 GLN 55 HG3 GLN 55 29.582 33.368 -1.577 450 HE21 GLN 55 HE21 GLN 55 30.077 32.012 0.147 451 HE22 GLN 55 HE22 GLN 55 28.953 31.704 1.423 452 H LYS 56 H LYS 56 31.050 38.172 -1.882 453 HA LYS 56 HA LYS 56 32.594 38.930 0.373 454 HB2 LYS 56 HB2 LYS 56 33.478 40.709 -1.170 455 HB3 LYS 56 HB3 LYS 56 33.613 39.065 -1.779 456 HG2 LYS 56 HG2 LYS 56 32.476 39.606 -3.598 457 HG3 LYS 56 HG3 LYS 56 31.120 40.177 -2.623 458 HD2 LYS 56 HD2 LYS 56 31.684 42.093 -3.767 459 HD3 LYS 56 HD3 LYS 56 32.635 42.286 -2.292 460 HE2 LYS 56 HE2 LYS 56 34.604 41.425 -3.422 461 HE3 LYS 56 HE3 LYS 56 33.663 41.134 -4.884 462 HZ1 LYS 56 HZ1 LYS 56 34.885 43.170 -5.106 463 HZ2 LYS 56 HZ2 LYS 56 34.252 43.774 -3.658 464 HZ3 LYS 56 HZ3 LYS 56 33.237 43.541 -4.992 465 H GLU 57 H GLU 57 29.672 40.146 -1.052 466 HA GLU 57 HA GLU 57 29.674 42.352 0.902 467 HB2 GLU 57 HB2 GLU 57 27.904 43.276 -0.852 468 HB3 GLU 57 HB3 GLU 57 29.629 43.569 -1.031 469 HG2 GLU 57 HG2 GLU 57 29.789 41.687 -2.579 470 HG3 GLU 57 HG3 GLU 57 28.060 41.395 -2.400 471 H TYR 58 H TYR 58 28.293 39.448 0.061 472 HA TYR 58 HA TYR 58 25.886 40.062 1.639 473 HB2 TYR 58 HB2 TYR 58 25.955 39.293 -1.085 474 HB3 TYR 58 HB3 TYR 58 25.365 37.904 -0.179 475 HD1 TYR 58 HD1 TYR 58 24.857 41.582 0.256 476 HD2 TYR 58 HD2 TYR 58 23.071 37.780 -0.419 477 HE1 TYR 58 HE1 TYR 58 22.628 42.615 0.374 478 HE2 TYR 58 HE2 TYR 58 20.837 38.803 -0.304 479 HH TYR 58 HH TYR 58 19.728 40.819 -0.401 480 H ASP 59 H ASP 59 24.789 37.783 2.166 481 HA ASP 59 HA ASP 59 26.376 35.513 2.529 482 HB2 ASP 59 HB2 ASP 59 27.279 37.467 4.199 483 HB3 ASP 59 HB3 ASP 59 26.095 36.667 5.228 484 H SER 60 H SER 60 25.434 34.339 4.746 485 HA SER 60 HA SER 60 22.572 34.189 4.191 486 HB2 SER 60 HB2 SER 60 23.392 32.274 6.149 487 HB3 SER 60 HB3 SER 60 22.879 31.992 4.484 488 HG SER 60 HG SER 60 25.444 32.189 5.555 489 H SER 61 H SER 61 24.599 35.718 6.348 490 HA SER 61 HA SER 61 23.206 35.435 8.787 491 HB2 SER 61 HB2 SER 61 24.327 37.874 9.061 492 HB3 SER 61 HB3 SER 61 25.238 36.374 9.224 493 HG SER 61 HG SER 61 25.599 38.324 7.466 494 H LEU 62 H LEU 62 22.589 37.292 5.944 495 HA LEU 62 HA LEU 62 20.756 39.112 7.254 496 HB2 LEU 62 HB2 LEU 62 20.351 39.975 4.999 497 HB3 LEU 62 HB3 LEU 62 22.067 39.929 5.399 498 HG LEU 62 HG LEU 62 21.507 37.511 4.081 499 HD11 LEU 62 HD11 LEU 62 19.442 38.423 3.238 500 HD12 LEU 62 HD12 LEU 62 20.618 38.330 1.928 501 HD13 LEU 62 HD13 LEU 62 20.270 39.881 2.691 502 HD21 LEU 62 HD21 LEU 62 23.611 38.689 3.986 503 HD22 LEU 62 HD22 LEU 62 22.851 40.046 3.155 504 HD23 LEU 62 HD23 LEU 62 22.980 38.481 2.352 505 H ALA 63 H ALA 63 20.637 36.156 5.395 506 HA ALA 63 HA ALA 63 17.695 36.220 5.478 507 HB1 ALA 63 HB1 ALA 63 19.238 34.226 3.875 508 HB2 ALA 63 HB2 ALA 63 17.625 34.883 3.597 509 HB3 ALA 63 HB3 ALA 63 19.049 35.877 3.284 510 H THR 64 H THR 64 17.085 33.588 5.267 511 HA THR 64 HA THR 64 18.378 32.261 7.545 512 HB THR 64 HB THR 64 16.275 31.641 8.539 513 HG1 THR 64 HG1 THR 64 14.871 33.230 6.666 514 HG21 THR 64 HG21 THR 64 16.284 34.592 7.891 515 HG22 THR 64 HG22 THR 64 17.170 33.817 9.203 516 HG23 THR 64 HG23 THR 64 15.406 33.833 9.218 517 H LEU 65 H LEU 65 16.921 29.999 7.723 518 HA LEU 65 HA LEU 65 16.880 28.852 5.017 519 HB2 LEU 65 HB2 LEU 65 18.084 27.510 7.431 520 HB3 LEU 65 HB3 LEU 65 18.024 26.873 5.789 521 HG LEU 65 HG LEU 65 19.628 29.257 6.711 522 HD11 LEU 65 HD11 LEU 65 20.391 26.955 7.430 523 HD12 LEU 65 HD12 LEU 65 21.547 27.902 6.494 524 HD13 LEU 65 HD13 LEU 65 20.637 26.605 5.719 525 HD21 LEU 65 HD21 LEU 65 20.367 28.193 4.156 526 HD22 LEU 65 HD22 LEU 65 19.879 29.832 4.583 527 HD23 LEU 65 HD23 LEU 65 18.660 28.634 4.151 528 H ASP 66 H ASP 66 14.586 29.017 5.162 529 HA ASP 66 HA ASP 66 12.941 28.072 7.157 530 HB2 ASP 66 HB2 ASP 66 12.679 28.641 4.307 531 HB3 ASP 66 HB3 ASP 66 11.599 27.355 4.839 532 H HIS 67 H HIS 67 11.519 26.088 7.037 533 HA HIS 67 HA HIS 67 13.010 23.734 6.104 534 HB2 HIS 67 HB2 HIS 67 11.583 23.754 8.755 535 HB3 HIS 67 HB3 HIS 67 12.761 22.590 8.153 536 HD1 HIS 67 HD1 HIS 67 12.574 25.043 10.602 537 HD2 HIS 67 HD2 HIS 67 15.359 24.242 7.625 538 HE1 HIS 67 HE1 HIS 67 14.701 26.154 11.354 539 H THR 68 H THR 68 11.775 22.001 5.431 540 HA THR 68 HA THR 68 8.895 22.553 5.165 541 HB THR 68 HB THR 68 10.684 20.841 3.430 542 HG1 THR 68 HG1 THR 68 9.351 23.318 2.954 543 HG21 THR 68 HG21 THR 68 8.206 21.349 2.185 544 HG22 THR 68 HG22 THR 68 7.845 20.781 3.814 545 HG23 THR 68 HG23 THR 68 8.840 19.800 2.739 546 H GLU 69 H GLU 69 7.901 21.532 6.809 547 HA GLU 69 HA GLU 69 8.796 19.017 7.846 548 HB2 GLU 69 HB2 GLU 69 6.081 20.210 8.348 549 HB3 GLU 69 HB3 GLU 69 7.048 19.197 9.412 550 HG2 GLU 69 HG2 GLU 69 8.653 21.034 9.678 551 HG3 GLU 69 HG3 GLU 69 7.643 22.047 8.648 552 H ILE 70 H ILE 70 8.339 17.059 7.104 553 HA ILE 70 HA ILE 70 6.417 16.746 4.954 554 HB ILE 70 HB ILE 70 8.207 14.671 6.224 555 HG12 ILE 70 HG12 ILE 70 9.352 15.080 3.859 556 HG13 ILE 70 HG13 ILE 70 8.628 16.673 4.050 557 HG21 ILE 70 HG21 ILE 70 7.029 13.217 5.030 558 HG22 ILE 70 HG22 ILE 70 6.091 14.510 4.284 559 HG23 ILE 70 HG23 ILE 70 7.625 14.009 3.572 560 HD11 ILE 70 HD11 ILE 70 10.329 15.453 6.191 561 HD12 ILE 70 HD12 ILE 70 11.021 16.356 4.844 562 HD13 ILE 70 HD13 ILE 70 9.897 17.145 5.950 563 H LYS 71 H LYS 71 4.456 15.844 5.113 564 HA LYS 71 HA LYS 71 3.705 14.635 7.694 565 HB2 LYS 71 HB2 LYS 71 2.198 16.474 5.862 566 HB3 LYS 71 HB3 LYS 71 1.331 15.391 6.944 567 HG2 LYS 71 HG2 LYS 71 1.876 16.574 8.785 568 HG3 LYS 71 HG3 LYS 71 3.469 17.014 8.166 569 HD2 LYS 71 HD2 LYS 71 1.427 18.234 6.561 570 HD3 LYS 71 HD3 LYS 71 1.156 18.611 8.265 571 HE2 LYS 71 HE2 LYS 71 3.316 19.560 8.490 572 HE3 LYS 71 HE3 LYS 71 3.837 18.918 6.932 573 HZ1 LYS 71 HZ1 LYS 71 2.725 20.526 5.790 574 HZ2 LYS 71 HZ2 LYS 71 3.099 21.399 7.189 575 HZ3 LYS 71 HZ3 LYS 71 1.551 20.749 6.987 576 H ALA 72 H ALA 72 1.824 13.116 7.523 577 HA ALA 72 HA ALA 72 2.412 11.063 5.673 578 HB1 ALA 72 HB1 ALA 72 1.213 9.838 7.085 579 HB2 ALA 72 HB2 ALA 72 0.919 11.304 8.020 580 HB3 ALA 72 HB3 ALA 72 -0.232 10.802 6.783 581 HA PRO 73 HA PRO 73 0.064 12.255 2.145 582 HB2 PRO 73 HB2 PRO 73 -0.302 9.809 1.023 583 HB3 PRO 73 HB3 PRO 73 1.250 10.654 1.002 584 HG2 PRO 73 HG2 PRO 73 0.306 8.469 2.818 585 HG3 PRO 73 HG3 PRO 73 1.882 8.665 2.030 586 HD2 PRO 73 HD2 PRO 73 1.461 9.307 4.627 587 HD3 PRO 73 HD3 PRO 73 2.620 10.180 3.604 588 H PHE 74 H PHE 74 -1.150 9.308 3.756 589 HA PHE 74 HA PHE 74 -3.805 10.481 3.897 590 HB2 PHE 74 HB2 PHE 74 -4.526 8.016 3.018 591 HB3 PHE 74 HB3 PHE 74 -4.419 9.436 1.983 592 HD1 PHE 74 HD2 PHE 74 -2.185 6.765 3.328 593 HD2 PHE 74 HD1 PHE 74 -3.263 9.215 0.019 594 HE1 PHE 74 HE2 PHE 74 -0.509 5.619 1.939 595 HE2 PHE 74 HE1 PHE 74 -1.590 8.072 -1.377 596 HZ PHE 74 HZ PHE 74 -0.209 6.273 -0.416 597 H ASP 75 H ASP 75 -1.433 9.172 5.490 598 HA ASP 75 HA ASP 75 -1.308 8.284 7.596 599 HB2 ASP 75 HB2 ASP 75 -3.112 8.641 8.868 600 HB3 ASP 75 HB3 ASP 75 -4.011 9.035 7.406 601 H GLY 76 H GLY 76 -1.573 6.142 8.710 602 HA2 GLY 76 HA2 GLY 76 -2.563 3.817 7.991 603 HA3 GLY 76 HA3 GLY 76 -1.409 4.035 6.683 604 H THR 77 H THR 77 0.433 2.996 6.982 605 HA THR 77 HA THR 77 1.492 2.770 9.722 606 HB THR 77 HB THR 77 0.497 0.622 8.521 607 HG1 THR 77 HG1 THR 77 1.349 0.055 10.380 608 HG21 THR 77 HG21 THR 77 3.350 0.305 7.696 609 HG22 THR 77 HG22 THR 77 2.226 1.122 6.610 610 HG23 THR 77 HG23 THR 77 1.912 -0.538 7.118 611 H ILE 78 H ILE 78 3.734 2.844 9.954 612 HA ILE 78 HA ILE 78 5.232 3.623 7.539 613 HB ILE 78 HB ILE 78 4.741 5.547 9.077 614 HG12 ILE 78 HG12 ILE 78 7.696 5.143 9.122 615 HG13 ILE 78 HG13 ILE 78 6.884 5.108 7.561 616 HG21 ILE 78 HG21 ILE 78 4.942 4.208 11.169 617 HG22 ILE 78 HG22 ILE 78 6.688 4.185 10.927 618 HG23 ILE 78 HG23 ILE 78 5.854 5.717 11.188 619 HD11 ILE 78 HD11 ILE 78 6.091 7.361 9.227 620 HD12 ILE 78 HD12 ILE 78 7.808 7.340 8.827 621 HD13 ILE 78 HD13 ILE 78 6.604 7.315 7.540 622 H GLY 79 H GLY 79 7.227 2.742 7.258 623 HA2 GLY 79 HA2 GLY 79 7.903 0.486 8.940 624 HA3 GLY 79 HA3 GLY 79 8.713 0.964 7.455 625 H ASP 80 H ASP 80 10.775 0.750 8.310 626 HA ASP 80 HA ASP 80 11.472 2.443 10.597 627 HB2 ASP 80 HB2 ASP 80 12.212 0.092 10.650 628 HB3 ASP 80 HB3 ASP 80 13.116 0.347 9.160 629 H ALA 81 H ALA 81 13.262 3.885 10.504 630 HA ALA 81 HA ALA 81 13.397 5.354 8.053 631 HB1 ALA 81 HB1 ALA 81 13.836 6.979 9.497 632 HB2 ALA 81 HB2 ALA 81 14.039 5.809 10.801 633 HB3 ALA 81 HB3 ALA 81 15.417 6.259 9.795 634 H LEU 82 H LEU 82 14.933 5.354 6.513 635 HA LEU 82 HA LEU 82 16.974 3.292 6.639 636 HB2 LEU 82 HB2 LEU 82 15.742 4.960 4.521 637 HB3 LEU 82 HB3 LEU 82 17.394 4.408 4.251 638 HG LEU 82 HG LEU 82 16.768 2.198 4.064 639 HD11 LEU 82 HD11 LEU 82 15.652 1.721 6.039 640 HD12 LEU 82 HD12 LEU 82 14.407 1.474 4.814 641 HD13 LEU 82 HD13 LEU 82 14.426 2.960 5.764 642 HD21 LEU 82 HD21 LEU 82 14.138 2.818 3.092 643 HD22 LEU 82 HD22 LEU 82 15.595 2.400 2.191 644 HD23 LEU 82 HD23 LEU 82 15.276 4.080 2.622 645 H VAL 83 H VAL 83 16.791 6.812 6.232 646 HA VAL 83 HA VAL 83 19.698 6.978 6.619 647 HB VAL 83 HB VAL 83 19.532 9.280 5.824 648 HG11 VAL 83 HG11 VAL 83 17.964 7.655 3.861 649 HG12 VAL 83 HG12 VAL 83 19.287 8.786 3.572 650 HG13 VAL 83 HG13 VAL 83 19.617 7.204 4.279 651 HG21 VAL 83 HG21 VAL 83 17.345 10.059 4.871 652 HG22 VAL 83 HG22 VAL 83 16.580 8.694 5.685 653 HG23 VAL 83 HG23 VAL 83 17.389 9.944 6.631 654 H ASN 84 H ASN 84 20.139 9.348 7.686 655 HA ASN 84 HA ASN 84 18.640 9.358 10.225 656 HB2 ASN 84 HB2 ASN 84 21.573 10.016 9.877 657 HB3 ASN 84 HB3 ASN 84 20.686 9.917 11.396 658 HD21 ASN 84 HD21 ASN 84 22.685 8.299 9.315 659 HD22 ASN 84 HD22 ASN 84 22.421 6.686 9.874 660 H ILE 85 H ILE 85 19.667 11.586 11.392 661 HA ILE 85 HA ILE 85 18.507 13.686 9.742 662 HB ILE 85 HB ILE 85 19.387 13.702 12.631 663 HG12 ILE 85 HG12 ILE 85 16.650 13.649 11.342 664 HG13 ILE 85 HG13 ILE 85 17.406 12.336 12.236 665 HG21 ILE 85 HG21 ILE 85 17.999 15.839 11.020 666 HG22 ILE 85 HG22 ILE 85 18.243 15.877 12.765 667 HG23 ILE 85 HG23 ILE 85 19.632 15.916 11.680 668 HD11 ILE 85 HD11 ILE 85 16.580 14.999 13.363 669 HD12 ILE 85 HD12 ILE 85 15.745 13.462 13.587 670 HD13 ILE 85 HD13 ILE 85 17.358 13.697 14.264 671 H GLY 86 H GLY 86 19.551 15.613 9.207 672 HA2 GLY 86 HA2 GLY 86 21.337 17.071 8.915 673 HA3 GLY 86 HA3 GLY 86 22.321 16.022 9.924 674 H ASP 87 H ASP 87 20.669 14.426 7.409 675 HA ASP 87 HA ASP 87 23.148 14.359 5.817 676 HB2 ASP 87 HB2 ASP 87 21.762 12.238 7.013 677 HB3 ASP 87 HB3 ASP 87 21.370 12.135 5.298 678 H TYR 88 H TYR 88 23.042 14.718 3.657 679 HA TYR 88 HA TYR 88 20.895 16.165 2.598 680 HB2 TYR 88 HB2 TYR 88 23.167 16.347 1.711 681 HB3 TYR 88 HB3 TYR 88 23.095 14.685 1.140 682 HD1 TYR 88 HD2 TYR 88 21.740 14.094 -0.808 683 HD2 TYR 88 HD1 TYR 88 22.030 18.123 0.529 684 HE1 TYR 88 HE2 TYR 88 20.822 14.866 -2.955 685 HE2 TYR 88 HE1 TYR 88 21.113 18.907 -1.614 686 HH TYR 88 HH TYR 88 21.096 17.390 -4.272 687 H VAL 89 H VAL 89 19.292 15.649 1.104 688 HA VAL 89 HA VAL 89 18.895 12.853 0.383 689 HB VAL 89 HB VAL 89 16.529 12.898 1.139 690 HG11 VAL 89 HG11 VAL 89 18.639 12.085 2.496 691 HG12 VAL 89 HG12 VAL 89 18.149 13.383 3.586 692 HG13 VAL 89 HG13 VAL 89 17.029 12.073 3.213 693 HG21 VAL 89 HG21 VAL 89 17.337 15.352 2.691 694 HG22 VAL 89 HG22 VAL 89 16.339 15.375 1.238 695 HG23 VAL 89 HG23 VAL 89 15.759 14.564 2.693 696 H SER 90 H SER 90 17.567 12.547 -1.414 697 HA SER 90 HA SER 90 17.233 14.920 -3.062 698 HB2 SER 90 HB2 SER 90 17.921 12.239 -3.580 699 HB3 SER 90 HB3 SER 90 16.348 12.488 -4.336 700 HG SER 90 HG SER 90 18.342 14.425 -4.684 701 H ALA 91 H ALA 91 15.184 14.516 -4.658 702 HA ALA 91 HA ALA 91 12.921 15.116 -3.065 703 HB1 ALA 91 HB1 ALA 91 12.916 16.145 -5.145 704 HB2 ALA 91 HB2 ALA 91 13.342 14.659 -5.993 705 HB3 ALA 91 HB3 ALA 91 11.719 14.864 -5.335 706 H SER 92 H SER 92 12.708 12.702 -5.619 707 HA SER 92 HA SER 92 11.206 10.981 -3.785 708 HB2 SER 92 HB2 SER 92 9.909 11.331 -5.697 709 HB3 SER 92 HB3 SER 92 11.303 11.258 -6.774 710 HG SER 92 HG SER 92 9.654 9.307 -6.162 711 H THR 93 H THR 93 14.296 11.299 -4.844 712 HA THR 93 HA THR 93 14.930 8.545 -5.368 713 HB THR 93 HB THR 93 17.120 10.351 -4.549 714 HG1 THR 93 HG1 THR 93 15.463 10.877 -6.805 715 HG21 THR 93 HG21 THR 93 17.367 9.348 -7.191 716 HG22 THR 93 HG22 THR 93 16.715 8.055 -6.186 717 HG23 THR 93 HG23 THR 93 18.232 8.837 -5.743 718 H THR 94 H THR 94 14.755 10.591 -2.577 719 HA THR 94 HA THR 94 16.216 8.674 -0.925 720 HB THR 94 HB THR 94 15.109 11.420 -0.343 721 HG1 THR 94 HG1 THR 94 17.682 10.284 -0.661 722 HG21 THR 94 HG21 THR 94 14.947 10.838 1.807 723 HG22 THR 94 HG22 THR 94 16.700 10.643 1.807 724 HG23 THR 94 HG23 THR 94 15.658 9.255 1.497 725 H GLU 95 H GLU 95 14.862 6.924 -0.722 726 HA GLU 95 HA GLU 95 12.140 7.378 0.253 727 HB2 GLU 95 HB2 GLU 95 11.922 4.884 -0.103 728 HB3 GLU 95 HB3 GLU 95 12.197 5.840 -1.552 729 HG2 GLU 95 HG2 GLU 95 14.137 4.835 -1.991 730 HG3 GLU 95 HG3 GLU 95 14.653 4.882 -0.307 731 H LEU 96 H LEU 96 13.450 8.161 2.257 732 HA LEU 96 HA LEU 96 14.820 6.593 4.001 733 HB2 LEU 96 HB2 LEU 96 13.407 7.889 5.804 734 HB3 LEU 96 HB3 LEU 96 14.593 8.712 4.793 735 HG LEU 96 HG LEU 96 11.911 8.694 3.640 736 HD11 LEU 96 HD11 LEU 96 11.192 8.798 5.934 737 HD12 LEU 96 HD12 LEU 96 11.028 10.394 5.203 738 HD13 LEU 96 HD13 LEU 96 12.377 10.056 6.288 739 HD21 LEU 96 HD21 LEU 96 13.217 10.205 2.579 740 HD22 LEU 96 HD22 LEU 96 14.215 10.508 4.001 741 HD23 LEU 96 HD23 LEU 96 12.629 11.267 3.859 742 H VAL 97 H VAL 97 11.269 6.962 4.126 743 HA VAL 97 HA VAL 97 11.077 4.160 4.978 744 HB VAL 97 HB VAL 97 10.979 5.679 6.980 745 HG11 VAL 97 HG11 VAL 97 9.131 7.103 7.345 746 HG12 VAL 97 HG12 VAL 97 9.712 7.478 5.721 747 HG13 VAL 97 HG13 VAL 97 8.273 6.479 5.936 748 HG21 VAL 97 HG21 VAL 97 9.275 4.445 8.038 749 HG22 VAL 97 HG22 VAL 97 8.372 4.247 6.537 750 HG23 VAL 97 HG23 VAL 97 9.895 3.388 6.770 751 H ARG 98 H ARG 98 9.094 3.141 4.502 752 HA ARG 98 HA ARG 98 7.528 4.534 2.437 753 HB2 ARG 98 HB2 ARG 98 6.992 2.384 1.518 754 HB3 ARG 98 HB3 ARG 98 8.731 2.446 1.774 755 HG2 ARG 98 HG2 ARG 98 8.447 1.168 3.857 756 HG3 ARG 98 HG3 ARG 98 6.715 1.064 3.532 757 HD2 ARG 98 HD2 ARG 98 7.275 -0.048 1.363 758 HD3 ARG 98 HD3 ARG 98 8.959 -0.085 1.882 759 HE ARG 98 HE ARG 98 6.860 -1.823 2.737 760 HH11 ARG 98 HH11 ARG 98 9.847 -0.324 3.711 761 HH12 ARG 98 HH12 ARG 98 10.235 -1.550 4.872 762 HH21 ARG 98 HH21 ARG 98 7.360 -3.444 4.262 763 HH22 ARG 98 HH22 ARG 98 8.820 -3.325 5.183 764 H VAL 99 H VAL 99 5.229 4.172 2.364 765 HA VAL 99 HA VAL 99 4.078 3.524 5.001 766 HB VAL 99 HB VAL 99 3.951 5.938 4.509 767 HG11 VAL 99 HG11 VAL 99 1.982 5.402 2.335 768 HG12 VAL 99 HG12 VAL 99 2.954 6.842 2.644 769 HG13 VAL 99 HG13 VAL 99 3.705 5.399 1.961 770 HG21 VAL 99 HG21 VAL 99 2.176 5.704 5.839 771 HG22 VAL 99 HG22 VAL 99 1.194 5.727 4.374 772 HG23 VAL 99 HG23 VAL 99 1.706 4.188 5.068 773 H THR 100 H THR 100 2.591 1.968 5.032 774 HA THR 100 HA THR 100 1.090 1.361 2.588 775 HB THR 100 HB THR 100 3.018 -0.202 2.693 776 HG1 THR 100 HG1 THR 100 1.082 -0.920 1.736 777 HG21 THR 100 HG21 THR 100 3.075 -1.922 4.432 778 HG22 THR 100 HG22 THR 100 1.708 -1.157 5.241 779 HG23 THR 100 HG23 THR 100 3.252 -0.313 5.131 780 H ASN 101 H ASN 101 -0.672 -0.316 3.098 781 HA ASN 101 HA ASN 101 -2.566 -0.871 4.228 782 HB2 ASN 101 HB2 ASN 101 -0.472 -0.890 6.216 783 HB3 ASN 101 HB3 ASN 101 -1.991 -0.361 6.935 784 HD21 ASN 101 HD21 ASN 101 -3.866 -1.742 6.603 785 HD22 ASN 101 HD22 ASN 101 -3.636 -3.450 6.493 786 H LEU 102 H LEU 102 -3.900 0.751 3.532 787 HA LEU 102 HA LEU 102 -4.533 2.799 5.492 788 HB2 LEU 102 HB2 LEU 102 -4.656 4.439 3.447 789 HB3 LEU 102 HB3 LEU 102 -3.159 4.210 4.348 790 HG LEU 102 HG LEU 102 -2.965 4.297 1.826 791 HD11 LEU 102 HD11 LEU 102 -1.027 3.251 2.120 792 HD12 LEU 102 HD12 LEU 102 -1.825 1.706 2.405 793 HD13 LEU 102 HD13 LEU 102 -1.585 2.832 3.741 794 HD21 LEU 102 HD21 LEU 102 -5.042 2.678 1.704 795 HD22 LEU 102 HD22 LEU 102 -3.791 1.438 1.791 796 HD23 LEU 102 HD23 LEU 102 -3.767 2.627 0.487 797 H ASN 103 H ASN 103 -6.547 3.998 4.873 798 HA ASN 103 HA ASN 103 -8.496 2.098 3.907 799 HB2 ASN 103 HB2 ASN 103 -9.163 4.934 4.616 800 HB3 ASN 103 HB3 ASN 103 -10.116 3.473 4.858 801 HD21 ASN 103 HD21 ASN 103 -9.017 1.850 6.362 802 HD22 ASN 103 HD22 ASN 103 -8.340 2.508 7.809 803 HA PRO 104 HA PRO 104 -8.936 3.557 -0.210 804 HB2 PRO 104 HB2 PRO 104 -11.594 3.183 -0.620 805 HB3 PRO 104 HB3 PRO 104 -10.439 1.847 -0.527 806 HG2 PRO 104 HG2 PRO 104 -12.285 2.904 1.579 807 HG3 PRO 104 HG3 PRO 104 -11.916 1.222 1.155 808 HD2 PRO 104 HD2 PRO 104 -10.791 2.469 3.279 809 HD3 PRO 104 HD3 PRO 104 -9.941 1.224 2.343 810 H ILE 105 H ILE 105 -8.493 5.758 -0.093 811 HA ILE 105 HA ILE 105 -10.749 7.545 0.501 812 HB ILE 105 HB ILE 105 -7.839 8.290 0.196 813 HG12 ILE 105 HG12 ILE 105 -8.098 6.805 2.109 814 HG13 ILE 105 HG13 ILE 105 -7.826 8.452 2.667 815 HG21 ILE 105 HG21 ILE 105 -9.039 10.185 1.756 816 HG22 ILE 105 HG22 ILE 105 -8.744 10.330 0.024 817 HG23 ILE 105 HG23 ILE 105 -10.316 9.787 0.607 818 HD11 ILE 105 HD11 ILE 105 -9.509 7.678 4.051 819 HD12 ILE 105 HD12 ILE 105 -10.389 8.586 2.821 820 HD13 ILE 105 HD13 ILE 105 -10.330 6.826 2.743 821 H TYR 106 H TYR 106 -11.344 9.184 -0.933 822 HA TYR 106 HA TYR 106 -10.048 9.546 -3.456 823 HB2 TYR 106 HB2 TYR 106 -12.188 8.843 -4.733 824 HB3 TYR 106 HB3 TYR 106 -11.070 7.587 -4.215 825 HD1 TYR 106 HD2 TYR 106 -11.661 6.066 -2.400 826 HD2 TYR 106 HD1 TYR 106 -14.378 9.060 -3.725 827 HE1 TYR 106 HE2 TYR 106 -13.488 4.925 -1.213 828 HE2 TYR 106 HE1 TYR 106 -16.213 7.928 -2.540 829 HH TYR 106 HH TYR 106 -16.290 6.278 -0.418 830 H ALA 107 H ALA 107 -11.052 11.083 -1.162 831 HA ALA 107 HA ALA 107 -12.144 13.279 -2.587 832 HB1 ALA 107 HB1 ALA 107 -14.119 11.627 -2.208 833 HB2 ALA 107 HB2 ALA 107 -14.082 12.254 -0.559 834 HB3 ALA 107 HB3 ALA 107 -14.348 13.351 -1.914 835 H ASP 108 H ASP 108 -13.037 14.959 -0.854 836 HA ASP 108 HA ASP 108 -10.875 15.271 1.047 837 HB2 ASP 108 HB2 ASP 108 -12.845 17.010 -0.243 838 HB3 ASP 108 HB3 ASP 108 -12.589 17.393 1.457 839 H GLY 109 H GLY 109 -11.345 15.982 3.294 840 HA2 GLY 109 HA2 GLY 109 -13.878 15.123 4.419 841 HA3 GLY 109 HA3 GLY 109 -12.494 14.137 4.867 842 H SER 110 H SER 110 -10.561 15.481 5.670 843 HA SER 110 HA SER 110 -11.342 16.815 8.012 844 HB2 SER 110 HB2 SER 110 -9.038 15.699 7.211 845 HB3 SER 110 HB3 SER 110 -8.644 17.390 6.902 846 HG SER 110 HG SER 110 -9.105 17.846 9.063 847 H HIS 111 H HIS 111 -9.619 18.210 5.213 848 HA HIS 111 HA HIS 111 -9.591 20.308 4.335 849 HB2 HIS 111 HB2 HIS 111 -12.121 19.649 4.249 850 HB3 HIS 111 HB3 HIS 111 -12.290 20.849 5.527 851 HD1 HIS 111 HD1 HIS 111 -10.203 22.893 4.334 852 HD2 HIS 111 HD2 HIS 111 -13.326 21.112 2.253 853 HE1 HIS 111 HE1 HIS 111 -10.685 24.429 2.402 854 H HIS 112 H HIS 112 -7.952 21.112 5.654 855 HA HIS 112 HA HIS 112 -8.724 22.483 8.117 856 HB2 HIS 112 HB2 HIS 112 -6.518 20.970 7.489 857 HB3 HIS 112 HB3 HIS 112 -5.903 22.611 7.315 858 HD1 HIS 112 HD1 HIS 112 -5.212 23.754 9.413 859 HD2 HIS 112 HD2 HIS 112 -7.684 20.495 10.146 860 HE1 HIS 112 HE1 HIS 112 -5.257 23.493 11.914 861 H HIS 113 H HIS 113 -8.169 24.675 8.510 862 HA HIS 113 HA HIS 113 -7.966 26.275 6.046 863 HB2 HIS 113 HB2 HIS 113 -9.664 26.469 8.399 864 HB3 HIS 113 HB3 HIS 113 -8.813 27.977 8.081 865 HD1 HIS 113 HD1 HIS 113 -10.266 25.560 5.540 866 HD2 HIS 113 HD2 HIS 113 -10.746 29.463 6.879 867 HE1 HIS 113 HE1 HIS 113 -11.945 26.603 3.985 868 H HIS 114 H HIS 114 -7.108 26.450 9.505 869 HA HIS 114 HA HIS 114 -5.285 27.285 10.580 870 HB2 HIS 114 HB2 HIS 114 -4.291 26.039 8.227 871 HB3 HIS 114 HB3 HIS 114 -3.388 27.533 8.454 872 HD1 HIS 114 HD1 HIS 114 -2.394 24.484 8.893 873 HD2 HIS 114 HD2 HIS 114 -3.317 27.293 11.811 874 HE1 HIS 114 HE1 HIS 114 -1.141 23.755 10.947 875 H HIS 115 H HIS 115 -3.779 29.175 10.662 876 HA HIS 115 HA HIS 115 -4.974 31.448 9.223 877 HB2 HIS 115 HB2 HIS 115 -4.003 31.079 11.996 878 HB3 HIS 115 HB3 HIS 115 -3.634 32.631 11.250 879 HD1 HIS 115 HD1 HIS 115 -6.307 30.785 12.913 880 HD2 HIS 115 HD2 HIS 115 -6.017 34.067 10.380 881 HE1 HIS 115 HE1 HIS 115 -8.513 31.978 13.101 882 H HIS 116 H HIS 116 -3.762 32.021 7.541 883 HA HIS 116 HA HIS 116 -1.100 32.938 7.884 884 HB2 HIS 116 HB2 HIS 116 0.101 31.345 6.528 885 HB3 HIS 116 HB3 HIS 116 -0.700 30.473 7.832 886 HD1 HIS 116 HD1 HIS 116 -2.359 28.685 7.188 887 HD2 HIS 116 HD2 HIS 116 -1.099 30.963 3.950 888 HE1 HIS 116 HE1 HIS 116 -3.251 27.509 5.152 889 H2 B6D 117 H2 B6D 117 12.288 35.374 0.546 890 H1 B6D 117 H1 B6D 117 15.020 34.927 -0.799 891 H3 B6D 117 H3 B6D 117 13.993 37.236 -1.181 892 HN2 B6D 117 HN2 B6D 117 12.957 35.170 -2.344 893 H5 B6D 117 H5 B6D 117 15.964 36.908 0.551 894 H8 B6D 117 H22 B6D 117 9.790 34.196 -3.330 895 H8A B6D 117 H21 B6D 117 10.787 32.775 -2.938 896 H8B B6D 117 H23 B6D 117 11.524 34.190 -3.740 897 H4 B6D 117 H4 B6D 117 13.192 37.368 1.767 898 HN4 B6D 117 HN4 B6D 117 14.450 39.317 -0.014 899 H9 B6D 117 H43 B6D 117 14.310 41.916 2.427 900 H9A B6D 117 H41 B6D 117 15.866 41.293 1.816 901 H9B B6D 117 H42 B6D 117 14.500 41.515 0.695 902 H6 B6D 117 H62 B6D 117 16.734 36.503 2.811 903 H6A B6D 117 H63 B6D 117 15.902 38.070 2.833 904 H6B B6D 117 H61 B6D 117 15.090 36.628 3.466 905 H1 A2G 118 H1 A2G 118 13.087 39.203 -1.795 906 H2 A2G 118 H2 A2G 118 11.075 40.606 -2.244 907 H3 A2G 118 H3 A2G 118 9.691 38.550 -0.451 908 H4 A2G 118 H4 A2G 118 8.298 38.110 -2.389 909 H5 A2G 118 H5 A2G 118 10.247 36.835 -2.257 910 H61 A2G 118 H61 A2G 118 9.516 37.501 -5.045 911 H62 A2G 118 H62 A2G 118 9.464 35.969 -4.163 912 H81 A2G 118 H81 A2G 118 11.713 41.767 2.103 913 H82 A2G 118 H82 A2G 118 10.752 43.233 1.785 914 H83 A2G 118 H83 A2G 118 12.444 43.149 1.231 915 HO3 A2G 118 HO3 A2G 118 8.586 40.921 -1.551 916 HO6 A2G 118 HO6 A2G 118 11.291 36.641 -5.871 917 HN2 A2G 118 HN2 A2G 118 12.157 40.232 0.403 918 H1 A2G 119 H1 A2G 119 7.749 38.378 -4.712 919 H2 A2G 119 H2 A2G 119 7.414 40.012 -6.566 920 H3 A2G 119 H3 A2G 119 9.397 41.693 -4.954 921 H4 A2G 119 H4 A2G 119 7.601 43.322 -4.841 922 H5 A2G 119 H5 A2G 119 7.621 41.745 -3.122 923 H61 A2G 119 H61 A2G 119 4.667 41.776 -3.703 924 H62 A2G 119 H62 A2G 119 5.571 43.197 -3.160 925 H81 A2G 119 H81 A2G 119 10.427 37.979 -9.447 926 H82 A2G 119 H82 A2G 119 10.827 37.508 -7.775 927 H83 A2G 119 H83 A2G 119 11.530 38.992 -8.466 928 HO3 A2G 119 HO3 A2G 119 9.855 41.831 -7.163 929 HO6 A2G 119 HO6 A2G 119 5.072 40.791 -1.770 930 HN2 A2G 119 HN2 A2G 119 10.142 39.082 -5.982 931 H1 A2G 120 H1 A2G 120 5.486 44.147 -5.369 932 H2 A2G 120 H2 A2G 120 3.602 44.241 -6.999 933 H3 A2G 120 H3 A2G 120 4.740 41.551 -7.911 934 H4 A2G 120 H4 A2G 120 5.032 42.642 -10.060 935 H5 A2G 120 H5 A2G 120 6.831 42.845 -8.589 936 H61 A2G 120 H61 A2G 120 6.919 45.697 -9.449 937 H62 A2G 120 H62 A2G 120 6.839 44.423 -10.674 938 H81 A2G 120 H81 A2G 120 2.450 42.528 -2.612 939 H82 A2G 120 H82 A2G 120 2.075 41.378 -3.921 940 H83 A2G 120 H83 A2G 120 0.997 42.765 -3.629 941 HO6 A2G 120 HO6 A2G 120 8.971 45.182 -9.267 942 HN2 A2G 120 HN2 A2G 120 3.072 41.663 -5.894 943 H1 A2G 121 H1 A2G 121 4.609 44.178 -11.592 944 H2 A2G 121 H2 A2G 121 3.630 46.340 -12.353 945 H3 A2G 121 H3 A2G 121 3.002 46.684 -9.380 946 H4 A2G 121 H4 A2G 121 0.687 46.795 -10.098 947 H5 A2G 121 H5 A2G 121 1.479 44.652 -9.628 948 H61 A2G 121 H61 A2G 121 -0.462 44.656 -11.870 949 H62 A2G 121 H62 A2G 121 -0.619 44.101 -10.197 950 H81 A2G 121 H81 A2G 121 8.067 47.725 -12.656 951 H82 A2G 121 H82 A2G 121 7.973 46.736 -11.176 952 H83 A2G 121 H83 A2G 121 7.437 48.434 -11.139 953 HO3 A2G 121 HO3 A2G 121 3.201 48.711 -9.769 954 HO6 A2G 121 HO6 A2G 121 0.417 42.738 -12.418 955 HN2 A2G 121 HN2 A2G 121 5.525 46.869 -10.149 956 H1 A2G 122 H1 A2G 122 -1.020 46.810 -11.721 957 H2 A2G 122 H2 A2G 122 -1.702 47.483 -14.023 958 H3 A2G 122 H3 A2G 122 1.299 47.282 -14.578 959 H4 A2G 122 H4 A2G 122 1.133 49.630 -15.169 960 H5 A2G 122 H5 A2G 122 1.574 49.201 -12.919 961 H61 A2G 122 H61 A2G 122 0.757 51.664 -13.534 962 H62 A2G 122 H62 A2G 122 1.344 51.188 -11.934 963 H81 A2G 122 H81 A2G 122 -2.102 42.920 -13.207 964 H82 A2G 122 H82 A2G 122 -1.151 43.119 -14.701 965 H83 A2G 122 H83 A2G 122 -2.929 43.079 -14.784 966 HO3 A2G 122 HO3 A2G 122 0.777 46.888 -16.541 967 HO6 A2G 122 HO6 A2G 122 -0.769 52.328 -12.031 968 HN2 A2G 122 HN2 A2G 122 -0.067 45.073 -14.367 969 H2 BGC 123 H2 BGC 123 0.670 41.294 -9.592 970 H3 BGC 123 H3 BGC 123 1.452 38.498 -10.506 971 H4 BGC 123 H4 BGC 123 1.186 40.877 -12.421 972 H5 BGC 123 H5 BGC 123 3.732 39.445 -11.488 973 H6C1 BGC 123 H61 BGC 123 3.204 41.126 -13.868 974 H6C2 BGC 123 H62 BGC 123 4.492 41.778 -12.837 975 H1 BGC 123 H1 BGC 123 3.460 40.129 -9.113 976 HB BGC 123 HO2 BGC 123 1.431 38.834 -8.399 977 HC BGC 123 HO3 BGC 123 -0.546 38.869 -11.679 978 HD BGC 123 HO4 BGC 123 2.313 38.290 -12.856 979 H6 BGC 123 HO6 BGC 123 4.666 39.738 -14.515 Start of MODEL 3 1 H1 ASP 1 H ASP 1 0.218 -0.596 -0.528 2 HA ASP 1 HA ASP 1 2.318 -0.054 0.201 3 HB2 ASP 1 HB2 ASP 1 2.985 -1.216 -2.512 4 HB3 ASP 1 HB3 ASP 1 4.135 -0.991 -1.197 5 H VAL 2 H VAL 2 2.863 2.007 0.455 6 HA VAL 2 HA VAL 2 3.726 3.523 -1.916 7 HB VAL 2 HB VAL 2 2.234 4.770 0.389 8 HG11 VAL 2 HG11 VAL 2 3.097 5.757 -2.322 9 HG12 VAL 2 HG12 VAL 2 1.946 6.613 -1.294 10 HG13 VAL 2 HG13 VAL 2 3.601 6.354 -0.741 11 HG21 VAL 2 HG21 VAL 2 0.293 4.892 -1.120 12 HG22 VAL 2 HG22 VAL 2 1.166 3.917 -2.303 13 HG23 VAL 2 HG23 VAL 2 0.734 3.227 -0.738 14 H ILE 3 H ILE 3 5.312 5.142 -1.529 15 HA ILE 3 HA ILE 3 6.810 4.738 0.978 16 HB ILE 3 HB ILE 3 7.916 5.509 -1.726 17 HG12 ILE 3 HG12 ILE 3 8.036 2.911 -0.182 18 HG13 ILE 3 HG13 ILE 3 7.229 3.184 -1.722 19 HG21 ILE 3 HG21 ILE 3 10.102 5.262 -0.688 20 HG22 ILE 3 HG22 ILE 3 9.149 6.481 0.157 21 HG23 ILE 3 HG23 ILE 3 9.342 4.873 0.855 22 HD11 ILE 3 HD11 ILE 3 9.244 2.052 -2.189 23 HD12 ILE 3 HD12 ILE 3 9.489 3.730 -2.676 24 HD13 ILE 3 HD13 ILE 3 10.177 3.142 -1.163 25 H ILE 4 H ILE 4 7.418 6.484 2.147 26 HA ILE 4 HA ILE 4 6.308 9.057 1.346 27 HB ILE 4 HB ILE 4 7.555 8.195 3.958 28 HG12 ILE 4 HG12 ILE 4 4.656 8.817 3.413 29 HG13 ILE 4 HG13 ILE 4 5.310 7.193 3.239 30 HG21 ILE 4 HG21 ILE 4 6.240 10.773 3.132 31 HG22 ILE 4 HG22 ILE 4 6.510 10.311 4.812 32 HG23 ILE 4 HG23 ILE 4 7.882 10.540 3.729 33 HD11 ILE 4 HD11 ILE 4 5.363 6.852 5.446 34 HD12 ILE 4 HD12 ILE 4 5.935 8.486 5.788 35 HD13 ILE 4 HD13 ILE 4 4.219 8.192 5.504 36 H LYS 5 H LYS 5 7.539 10.420 0.246 37 HA LYS 5 HA LYS 5 10.376 10.665 0.979 38 HB2 LYS 5 HB2 LYS 5 9.288 10.726 -1.842 39 HB3 LYS 5 HB3 LYS 5 10.966 10.966 -1.377 40 HG2 LYS 5 HG2 LYS 5 11.344 8.787 -1.414 41 HG3 LYS 5 HG3 LYS 5 10.002 8.487 -0.306 42 HD2 LYS 5 HD2 LYS 5 8.715 7.721 -1.958 43 HD3 LYS 5 HD3 LYS 5 9.049 9.138 -2.957 44 HE2 LYS 5 HE2 LYS 5 10.392 7.941 -4.260 45 HE3 LYS 5 HE3 LYS 5 11.373 7.478 -2.871 46 HZ1 LYS 5 HZ1 LYS 5 8.830 6.089 -3.337 47 HZ2 LYS 5 HZ2 LYS 5 10.249 5.519 -2.613 48 HZ3 LYS 5 HZ3 LYS 5 10.165 5.684 -4.294 49 HA PRO 6 HA PRO 6 9.707 14.998 1.174 50 HB2 PRO 6 HB2 PRO 6 12.084 15.968 0.289 51 HB3 PRO 6 HB3 PRO 6 11.889 15.195 1.867 52 HG2 PRO 6 HG2 PRO 6 12.942 14.044 -0.688 53 HG3 PRO 6 HG3 PRO 6 13.561 13.854 0.963 54 HD2 PRO 6 HD2 PRO 6 12.058 11.960 -0.256 55 HD3 PRO 6 HD3 PRO 6 12.003 12.242 1.496 56 H GLN 7 H GLN 7 9.157 16.801 -0.046 57 HA GLN 7 HA GLN 7 8.742 16.287 -2.874 58 HB2 GLN 7 HB2 GLN 7 6.936 17.212 -1.409 59 HB3 GLN 7 HB3 GLN 7 7.886 18.683 -1.244 60 HG2 GLN 7 HG2 GLN 7 7.386 19.407 -3.320 61 HG3 GLN 7 HG3 GLN 7 7.341 17.781 -3.999 62 HE21 GLN 7 HE21 GLN 7 5.571 19.172 -1.273 63 HE22 GLN 7 HE22 GLN 7 3.996 18.900 -1.929 64 H VAL 8 H VAL 8 11.282 17.358 -1.222 65 HA VAL 8 HA VAL 8 12.300 18.869 -3.476 66 HB VAL 8 HB VAL 8 13.163 20.692 -1.940 67 HG11 VAL 8 HG11 VAL 8 10.166 20.592 -2.251 68 HG12 VAL 8 HG12 VAL 8 11.189 22.029 -2.175 69 HG13 VAL 8 HG13 VAL 8 11.287 20.946 -3.566 70 HG21 VAL 8 HG21 VAL 8 11.932 19.076 0.008 71 HG22 VAL 8 HG22 VAL 8 12.724 20.636 0.237 72 HG23 VAL 8 HG23 VAL 8 10.992 20.566 -0.081 73 H SER 9 H SER 9 14.659 19.593 -2.913 74 HA SER 9 HA SER 9 15.954 17.300 -1.597 75 HB2 SER 9 HB2 SER 9 17.899 17.771 -3.045 76 HB3 SER 9 HB3 SER 9 16.445 17.458 -3.992 77 HG SER 9 HG SER 9 17.922 19.430 -4.399 78 H GLY 10 H GLY 10 16.970 17.685 0.251 79 HA2 GLY 10 HA2 GLY 10 18.504 20.099 0.647 80 HA3 GLY 10 HA3 GLY 10 17.070 19.998 1.659 81 H VAL 11 H VAL 11 17.579 19.382 3.643 82 HA VAL 11 HA VAL 11 19.262 17.026 4.013 83 HB VAL 11 HB VAL 11 19.801 19.576 5.538 84 HG11 VAL 11 HG11 VAL 11 20.681 16.786 5.784 85 HG12 VAL 11 HG12 VAL 11 21.976 17.983 5.851 86 HG13 VAL 11 HG13 VAL 11 20.630 18.073 6.988 87 HG21 VAL 11 HG21 VAL 11 21.861 19.760 4.273 88 HG22 VAL 11 HG22 VAL 11 21.455 18.310 3.354 89 HG23 VAL 11 HG23 VAL 11 20.480 19.768 3.176 90 H ILE 12 H ILE 12 18.584 15.753 5.642 91 HA ILE 12 HA ILE 12 16.085 16.048 6.795 92 HB ILE 12 HB ILE 12 18.400 14.475 7.931 93 HG12 ILE 12 HG12 ILE 12 17.910 13.935 5.564 94 HG13 ILE 12 HG13 ILE 12 17.538 12.597 6.645 95 HG21 ILE 12 HG21 ILE 12 16.491 13.032 8.791 96 HG22 ILE 12 HG22 ILE 12 16.741 14.582 9.592 97 HG23 ILE 12 HG23 ILE 12 15.438 14.396 8.420 98 HD11 ILE 12 HD11 ILE 12 15.884 13.659 4.717 99 HD12 ILE 12 HD12 ILE 12 15.408 12.578 6.028 100 HD13 ILE 12 HD13 ILE 12 15.254 14.325 6.224 101 H VAL 13 H VAL 13 15.305 16.850 8.694 102 HA VAL 13 HA VAL 13 17.190 18.440 10.308 103 HB VAL 13 HB VAL 13 14.221 18.909 10.204 104 HG11 VAL 13 HG11 VAL 13 15.947 21.198 10.573 105 HG12 VAL 13 HG12 VAL 13 14.638 20.599 11.594 106 HG13 VAL 13 HG13 VAL 13 16.268 19.947 11.774 107 HG21 VAL 13 HG21 VAL 13 15.278 20.902 8.671 108 HG22 VAL 13 HG22 VAL 13 16.237 19.511 8.165 109 HG23 VAL 13 HG23 VAL 13 14.478 19.460 8.043 110 H ASN 14 H ASN 14 14.521 16.162 10.393 111 HA ASN 14 HA ASN 14 15.312 15.025 12.835 112 HB2 ASN 14 HB2 ASN 14 14.248 17.344 13.475 113 HB3 ASN 14 HB3 ASN 14 12.730 16.491 13.220 114 HD21 ASN 14 HD21 ASN 14 12.040 16.400 15.286 115 HD22 ASN 14 HD22 ASN 14 12.858 15.546 16.545 116 H LYS 15 H LYS 15 13.392 13.650 13.773 117 HA LYS 15 HA LYS 15 11.677 12.709 11.583 118 HB2 LYS 15 HB2 LYS 15 12.165 10.350 12.347 119 HB3 LYS 15 HB3 LYS 15 13.483 11.166 11.517 120 HG2 LYS 15 HG2 LYS 15 14.404 11.743 13.790 121 HG3 LYS 15 HG3 LYS 15 13.201 10.640 14.461 122 HD2 LYS 15 HD2 LYS 15 15.180 9.827 12.342 123 HD3 LYS 15 HD3 LYS 15 15.491 9.656 14.070 124 HE2 LYS 15 HE2 LYS 15 12.993 8.535 13.757 125 HE3 LYS 15 HE3 LYS 15 13.843 8.040 12.296 126 HZ1 LYS 15 HZ1 LYS 15 15.674 7.272 13.787 127 HZ2 LYS 15 HZ2 LYS 15 14.234 6.397 13.933 128 HZ3 LYS 15 HZ3 LYS 15 14.648 7.543 15.106 129 H LEU 16 H LEU 16 9.712 13.196 12.351 130 HA LEU 16 HA LEU 16 9.107 12.704 15.171 131 HB2 LEU 16 HB2 LEU 16 7.110 13.867 13.303 132 HB3 LEU 16 HB3 LEU 16 7.408 14.225 15.004 133 HG LEU 16 HG LEU 16 9.135 15.139 12.705 134 HD11 LEU 16 HD11 LEU 16 7.760 17.159 14.280 135 HD12 LEU 16 HD12 LEU 16 6.653 16.094 13.412 136 HD13 LEU 16 HD13 LEU 16 7.896 16.982 12.530 137 HD21 LEU 16 HD21 LEU 16 10.664 15.447 14.292 138 HD22 LEU 16 HD22 LEU 16 9.518 15.062 15.576 139 HD23 LEU 16 HD23 LEU 16 9.610 16.704 14.939 140 H PHE 17 H PHE 17 9.457 10.367 13.885 141 HA PHE 17 HA PHE 17 6.739 9.284 13.827 142 HB2 PHE 17 HB2 PHE 17 6.963 8.185 11.795 143 HB3 PHE 17 HB3 PHE 17 7.780 9.711 11.471 144 HD1 PHE 17 HD1 PHE 17 10.305 9.777 11.648 145 HD2 PHE 17 HD2 PHE 17 8.078 6.152 11.551 146 HE1 PHE 17 HE1 PHE 17 12.335 8.552 10.991 147 HE2 PHE 17 HE2 PHE 17 10.105 4.920 10.895 148 HZ PHE 17 HZ PHE 17 12.237 6.119 10.615 149 H LYS 18 H LYS 18 6.838 6.806 13.834 150 HA LYS 18 HA LYS 18 9.124 5.889 15.448 151 HB2 LYS 18 HB2 LYS 18 6.185 5.584 15.980 152 HB3 LYS 18 HB3 LYS 18 7.329 4.402 16.600 153 HG2 LYS 18 HG2 LYS 18 7.929 7.250 17.124 154 HG3 LYS 18 HG3 LYS 18 6.565 6.538 17.988 155 HD2 LYS 18 HD2 LYS 18 8.000 4.774 18.846 156 HD3 LYS 18 HD3 LYS 18 9.367 5.417 17.931 157 HE2 LYS 18 HE2 LYS 18 9.372 7.427 19.236 158 HE3 LYS 18 HE3 LYS 18 7.870 6.968 20.039 159 HZ1 LYS 18 HZ1 LYS 18 8.929 5.387 21.308 160 HZ2 LYS 18 HZ2 LYS 18 10.113 6.592 21.228 161 HZ3 LYS 18 HZ3 LYS 18 10.232 5.223 20.241 162 H ALA 19 H ALA 19 9.368 3.516 15.479 163 HA ALA 19 HA ALA 19 8.950 2.451 12.808 164 HB1 ALA 19 HB1 ALA 19 10.234 0.657 14.695 165 HB2 ALA 19 HB2 ALA 19 10.824 1.298 13.161 166 HB3 ALA 19 HB3 ALA 19 11.004 2.243 14.640 167 H GLY 20 H GLY 20 6.994 1.589 12.451 168 HA2 GLY 20 HA2 GLY 20 5.591 -0.327 12.596 169 HA3 GLY 20 HA3 GLY 20 6.105 -0.540 14.263 170 H ASP 21 H ASP 21 5.455 2.685 13.682 171 HA ASP 21 HA ASP 21 2.958 2.495 15.163 172 HB2 ASP 21 HB2 ASP 21 5.021 4.542 14.738 173 HB3 ASP 21 HB3 ASP 21 3.377 5.174 14.735 174 H LYS 22 H LYS 22 1.322 4.335 14.474 175 HA LYS 22 HA LYS 22 0.698 3.811 11.654 176 HB2 LYS 22 HB2 LYS 22 -1.593 4.267 12.189 177 HB3 LYS 22 HB3 LYS 22 -0.967 3.164 13.408 178 HG2 LYS 22 HG2 LYS 22 -0.491 5.413 14.700 179 HG3 LYS 22 HG3 LYS 22 -1.786 6.006 13.658 180 HD2 LYS 22 HD2 LYS 22 -3.169 4.058 14.430 181 HD3 LYS 22 HD3 LYS 22 -1.903 3.712 15.609 182 HE2 LYS 22 HE2 LYS 22 -2.617 5.322 16.976 183 HE3 LYS 22 HE3 LYS 22 -2.695 6.497 15.664 184 HZ1 LYS 22 HZ1 LYS 22 -4.876 6.018 15.239 185 HZ2 LYS 22 HZ2 LYS 22 -4.843 5.770 16.912 186 HZ3 LYS 22 HZ3 LYS 22 -4.786 4.446 15.860 187 H VAL 23 H VAL 23 -0.241 5.546 10.375 188 HA VAL 23 HA VAL 23 0.836 8.180 11.146 189 HB VAL 23 HB VAL 23 1.013 8.693 8.752 190 HG11 VAL 23 HG11 VAL 23 2.965 7.430 8.313 191 HG12 VAL 23 HG12 VAL 23 2.872 7.593 10.068 192 HG13 VAL 23 HG13 VAL 23 2.399 6.078 9.295 193 HG21 VAL 23 HG21 VAL 23 -0.820 7.188 8.019 194 HG22 VAL 23 HG22 VAL 23 0.648 7.024 7.057 195 HG23 VAL 23 HG23 VAL 23 0.253 5.813 8.278 196 H LYS 24 H LYS 24 -0.319 10.021 9.978 197 HA LYS 24 HA LYS 24 -3.202 9.505 9.747 198 HB2 LYS 24 HB2 LYS 24 -3.204 10.389 11.885 199 HB3 LYS 24 HB3 LYS 24 -1.812 11.418 11.575 200 HG2 LYS 24 HG2 LYS 24 -3.643 12.868 11.782 201 HG3 LYS 24 HG3 LYS 24 -3.318 12.764 10.050 202 HD2 LYS 24 HD2 LYS 24 -5.080 10.795 10.208 203 HD3 LYS 24 HD3 LYS 24 -5.606 11.702 11.628 204 HE2 LYS 24 HE2 LYS 24 -5.127 13.368 9.275 205 HE3 LYS 24 HE3 LYS 24 -6.398 12.170 9.044 206 HZ1 LYS 24 HZ1 LYS 24 -7.592 13.865 9.947 207 HZ2 LYS 24 HZ2 LYS 24 -6.305 14.453 10.873 208 HZ3 LYS 24 HZ3 LYS 24 -7.147 13.073 11.374 209 H LYS 25 H LYS 25 -4.344 10.943 8.406 210 HA LYS 25 HA LYS 25 -3.020 11.821 6.120 211 HB2 LYS 25 HB2 LYS 25 -5.673 12.803 7.189 212 HB3 LYS 25 HB3 LYS 25 -5.111 12.945 5.529 213 HG2 LYS 25 HG2 LYS 25 -5.212 10.582 5.215 214 HG3 LYS 25 HG3 LYS 25 -5.529 10.316 6.931 215 HD2 LYS 25 HD2 LYS 25 -7.716 10.573 6.616 216 HD3 LYS 25 HD3 LYS 25 -7.464 12.141 5.846 217 HE2 LYS 25 HE2 LYS 25 -6.985 9.596 4.339 218 HE3 LYS 25 HE3 LYS 25 -8.614 10.251 4.506 219 HZ1 LYS 25 HZ1 LYS 25 -6.298 11.722 3.368 220 HZ2 LYS 25 HZ2 LYS 25 -7.887 12.289 3.470 221 HZ3 LYS 25 HZ3 LYS 25 -7.520 10.982 2.461 222 H GLY 26 H GLY 26 -1.311 13.186 6.458 223 HA2 GLY 26 HA2 GLY 26 -0.609 15.453 6.308 224 HA3 GLY 26 HA3 GLY 26 -2.030 15.924 7.229 225 H GLN 27 H GLN 27 -0.375 13.206 8.453 226 HA GLN 27 HA GLN 27 0.442 14.722 10.781 227 HB2 GLN 27 HB2 GLN 27 -0.544 12.207 10.479 228 HB3 GLN 27 HB3 GLN 27 1.178 11.871 10.606 229 HG2 GLN 27 HG2 GLN 27 1.237 13.138 12.719 230 HG3 GLN 27 HG3 GLN 27 -0.507 13.369 12.600 231 HE21 GLN 27 HE21 GLN 27 1.463 10.525 11.881 232 HE22 GLN 27 HE22 GLN 27 0.704 9.488 13.036 233 H THR 28 H THR 28 2.451 15.353 11.262 234 HA THR 28 HA THR 28 4.509 15.239 9.328 235 HB THR 28 HB THR 28 5.090 15.825 12.210 236 HG1 THR 28 HG1 THR 28 3.756 17.594 10.410 237 HG21 THR 28 HG21 THR 28 7.005 16.140 10.954 238 HG22 THR 28 HG22 THR 28 6.301 17.758 10.925 239 HG23 THR 28 HG23 THR 28 6.111 16.687 9.536 240 H LEU 29 H LEU 29 6.296 13.971 9.143 241 HA LEU 29 HA LEU 29 6.753 11.908 11.179 242 HB2 LEU 29 HB2 LEU 29 6.813 11.342 8.223 243 HB3 LEU 29 HB3 LEU 29 6.976 10.186 9.543 244 HG LEU 29 HG LEU 29 4.441 11.745 9.175 245 HD11 LEU 29 HD11 LEU 29 4.356 10.819 7.110 246 HD12 LEU 29 HD12 LEU 29 3.794 9.426 8.032 247 HD13 LEU 29 HD13 LEU 29 5.478 9.521 7.520 248 HD21 LEU 29 HD21 LEU 29 4.885 8.967 10.242 249 HD22 LEU 29 HD22 LEU 29 3.462 9.993 10.426 250 HD23 LEU 29 HD23 LEU 29 4.962 10.408 11.257 251 H PHE 30 H PHE 30 7.976 13.698 8.397 252 HA PHE 30 HA PHE 30 10.674 13.468 9.526 253 HB2 PHE 30 HB2 PHE 30 9.759 12.616 6.845 254 HB3 PHE 30 HB3 PHE 30 11.257 13.538 6.882 255 HD1 PHE 30 HD2 PHE 30 13.175 12.700 8.243 256 HD2 PHE 30 HD1 PHE 30 9.687 10.366 7.531 257 HE1 PHE 30 HE2 PHE 30 14.410 10.668 8.871 258 HE2 PHE 30 HE1 PHE 30 10.917 8.330 8.159 259 HZ PHE 30 HZ PHE 30 13.282 8.479 8.829 260 H ILE 31 H ILE 31 12.178 15.114 8.560 261 HA ILE 31 HA ILE 31 10.824 17.511 7.574 262 HB ILE 31 HB ILE 31 12.718 17.647 9.918 263 HG12 ILE 31 HG12 ILE 31 10.417 18.418 11.015 264 HG13 ILE 31 HG13 ILE 31 9.754 17.336 9.796 265 HG21 ILE 31 HG21 ILE 31 12.174 19.936 10.032 266 HG22 ILE 31 HG22 ILE 31 12.470 19.605 8.326 267 HG23 ILE 31 HG23 ILE 31 10.817 19.750 8.921 268 HD11 ILE 31 HD11 ILE 31 11.981 16.267 11.396 269 HD12 ILE 31 HD12 ILE 31 10.464 16.549 12.249 270 HD13 ILE 31 HD13 ILE 31 10.500 15.490 10.839 271 H ILE 32 H ILE 32 12.026 18.699 6.183 272 HA ILE 32 HA ILE 32 14.908 18.273 6.035 273 HB ILE 32 HB ILE 32 13.015 17.713 3.758 274 HG12 ILE 32 HG12 ILE 32 15.325 16.055 4.766 275 HG13 ILE 32 HG13 ILE 32 13.702 15.906 5.431 276 HG21 ILE 32 HG21 ILE 32 15.741 18.769 3.710 277 HG22 ILE 32 HG22 ILE 32 15.517 17.315 2.738 278 HG23 ILE 32 HG23 ILE 32 14.513 18.735 2.444 279 HD11 ILE 32 HD11 ILE 32 12.989 14.705 3.698 280 HD12 ILE 32 HD12 ILE 32 13.787 15.751 2.523 281 HD13 ILE 32 HD13 ILE 32 14.700 14.480 3.334 282 H GLU 33 H GLU 33 15.943 20.130 5.689 283 HA GLU 33 HA GLU 33 14.375 22.483 4.964 284 HB2 GLU 33 HB2 GLU 33 16.213 23.786 5.805 285 HB3 GLU 33 HB3 GLU 33 15.847 22.524 6.972 286 HG2 GLU 33 HG2 GLU 33 17.723 21.240 5.618 287 HG3 GLU 33 HG3 GLU 33 18.230 22.888 5.250 288 H GLN 34 H GLN 34 14.432 23.354 3.003 289 HA GLN 34 HA GLN 34 16.763 22.847 1.288 290 HB2 GLN 34 HB2 GLN 34 15.498 22.160 -0.523 291 HB3 GLN 34 HB3 GLN 34 14.637 21.413 0.816 292 HG2 GLN 34 HG2 GLN 34 13.881 23.956 -0.605 293 HG3 GLN 34 HG3 GLN 34 13.080 22.393 -0.744 294 HE21 GLN 34 HE21 GLN 34 12.993 21.600 1.877 295 HE22 GLN 34 HE22 GLN 34 11.968 22.664 2.771 296 H ASP 35 H ASP 35 17.070 24.410 -0.412 297 HA ASP 35 HA ASP 35 15.539 26.687 -0.836 298 HB2 ASP 35 HB2 ASP 35 16.916 26.777 1.661 299 HB3 ASP 35 HB3 ASP 35 17.663 27.952 0.582 300 H GLN 36 H GLN 36 17.254 24.826 -2.208 301 HA GLN 36 HA GLN 36 18.897 24.727 -3.788 302 HB2 GLN 36 HB2 GLN 36 18.234 27.660 -4.100 303 HB3 GLN 36 HB3 GLN 36 19.005 26.632 -5.301 304 HG2 GLN 36 HG2 GLN 36 16.164 26.755 -4.446 305 HG3 GLN 36 HG3 GLN 36 16.855 26.649 -6.064 306 HE21 GLN 36 HE21 GLN 36 15.002 25.031 -4.026 307 HE22 GLN 36 HE22 GLN 36 15.405 23.401 -4.430 308 H ALA 37 H ALA 37 20.810 26.442 -4.701 309 HA ALA 37 HA ALA 37 22.779 26.280 -2.679 310 HB1 ALA 37 HB1 ALA 37 24.170 27.600 -4.320 311 HB2 ALA 37 HB2 ALA 37 23.496 26.086 -4.926 312 HB3 ALA 37 HB3 ALA 37 22.754 27.622 -5.371 313 H SER 38 H SER 38 22.295 29.293 -4.436 314 HA SER 38 HA SER 38 21.256 30.861 -2.375 315 HB2 SER 38 HB2 SER 38 23.128 31.885 -1.357 316 HB3 SER 38 HB3 SER 38 23.507 30.162 -1.355 317 HG SER 38 HG SER 38 24.963 30.463 -2.939 318 H LYS 39 H LYS 39 20.932 30.678 -5.126 319 HA LYS 39 HA LYS 39 22.122 33.166 -6.147 320 HB2 LYS 39 HB2 LYS 39 20.939 32.066 -8.322 321 HB3 LYS 39 HB3 LYS 39 22.609 31.769 -7.855 322 HG2 LYS 39 HG2 LYS 39 21.588 29.675 -8.356 323 HG3 LYS 39 HG3 LYS 39 21.840 29.757 -6.611 324 HD2 LYS 39 HD2 LYS 39 19.642 28.841 -7.125 325 HD3 LYS 39 HD3 LYS 39 19.492 30.399 -6.310 326 HE2 LYS 39 HE2 LYS 39 18.681 31.446 -8.168 327 HE3 LYS 39 HE3 LYS 39 19.559 30.395 -9.278 328 HZ1 LYS 39 HZ1 LYS 39 17.670 28.872 -7.853 329 HZ2 LYS 39 HZ2 LYS 39 17.754 29.161 -9.517 330 HZ3 LYS 39 HZ3 LYS 39 16.890 30.218 -8.517 331 H ASP 40 H ASP 40 19.221 31.755 -5.052 332 HA ASP 40 HA ASP 40 17.757 34.173 -5.817 333 HB2 ASP 40 HB2 ASP 40 17.189 31.440 -6.725 334 HB3 ASP 40 HB3 ASP 40 15.799 32.258 -6.015 335 H PHE 41 H PHE 41 18.161 31.406 -3.731 336 HA PHE 41 HA PHE 41 16.053 32.257 -1.928 337 HB2 PHE 41 HB2 PHE 41 17.806 29.879 -2.195 338 HB3 PHE 41 HB3 PHE 41 17.282 30.287 -0.566 339 HD1 PHE 41 HD2 PHE 41 14.647 30.961 -0.523 340 HD2 PHE 41 HD1 PHE 41 16.534 28.321 -3.277 341 HE1 PHE 41 HE2 PHE 41 12.487 29.857 -0.940 342 HE2 PHE 41 HE1 PHE 41 14.378 27.214 -3.699 343 HZ PHE 41 HZ PHE 41 12.351 27.981 -2.529 344 H ASN 42 H ASN 42 19.218 31.119 -0.895 345 HA ASN 42 HA ASN 42 20.398 33.503 -0.128 346 HB2 ASN 42 HB2 ASN 42 18.130 33.126 1.399 347 HB3 ASN 42 HB3 ASN 42 19.405 32.485 2.432 348 HD21 ASN 42 HD21 ASN 42 21.404 34.289 1.254 349 H ARG 43 H ARG 43 21.599 32.899 2.271 350 HA ARG 43 HA ARG 43 22.438 30.314 2.734 351 HB2 ARG 43 HB2 ARG 43 23.370 30.015 0.618 352 HB3 ARG 43 HB3 ARG 43 23.934 31.677 0.523 353 HG2 ARG 43 HG2 ARG 43 25.712 31.236 2.054 354 HG3 ARG 43 HG3 ARG 43 25.078 29.627 2.403 355 HD2 ARG 43 HD2 ARG 43 26.285 28.799 0.734 356 HD3 ARG 43 HD3 ARG 43 25.407 29.823 -0.401 357 HE ARG 43 HE ARG 43 27.404 31.351 0.843 358 HH11 ARG 43 HH11 ARG 43 27.065 28.721 -1.413 359 HH12 ARG 43 HH12 ARG 43 28.535 29.083 -2.256 360 HH21 ARG 43 HH21 ARG 43 29.341 31.837 -0.259 361 HH22 ARG 43 HH22 ARG 43 29.829 30.855 -1.598 362 H SER 44 H SER 44 23.238 33.702 2.595 363 HA SER 44 HA SER 44 25.468 33.821 4.235 364 HB2 SER 44 HB2 SER 44 24.041 35.688 2.975 365 HB3 SER 44 HB3 SER 44 23.370 35.909 4.591 366 HG SER 44 HG SER 44 26.060 36.161 3.754 367 H LYS 45 H LYS 45 22.055 33.611 5.105 368 HA LYS 45 HA LYS 45 22.172 34.090 7.817 369 HB2 LYS 45 HB2 LYS 45 20.320 32.908 5.990 370 HB3 LYS 45 HB3 LYS 45 20.401 31.899 7.429 371 HG2 LYS 45 HG2 LYS 45 18.850 33.308 8.214 372 HG3 LYS 45 HG3 LYS 45 20.230 34.358 8.544 373 HD2 LYS 45 HD2 LYS 45 18.813 35.778 7.398 374 HD3 LYS 45 HD3 LYS 45 19.847 35.175 6.101 375 HE2 LYS 45 HE2 LYS 45 17.925 34.685 5.060 376 HE3 LYS 45 HE3 LYS 45 17.858 33.306 6.156 377 HZ1 LYS 45 HZ1 LYS 45 16.044 34.134 7.085 378 HZ2 LYS 45 HZ2 LYS 45 16.038 35.385 5.948 379 HZ3 LYS 45 HZ3 LYS 45 16.818 35.597 7.434 380 H ALA 46 H ALA 46 22.290 30.854 6.314 381 HA ALA 46 HA ALA 46 23.609 29.849 8.735 382 HB1 ALA 46 HB1 ALA 46 22.997 27.784 6.846 383 HB2 ALA 46 HB2 ALA 46 22.369 28.027 8.475 384 HB3 ALA 46 HB3 ALA 46 21.579 28.800 7.101 385 H LEU 47 H LEU 47 25.758 30.000 8.630 386 HA LEU 47 HA LEU 47 27.086 29.274 6.103 387 HB2 LEU 47 HB2 LEU 47 28.173 30.993 8.326 388 HB3 LEU 47 HB3 LEU 47 28.944 30.665 6.775 389 HG LEU 47 HG LEU 47 26.275 31.946 6.690 390 HD11 LEU 47 HD11 LEU 47 28.707 33.575 7.377 391 HD12 LEU 47 HD12 LEU 47 27.535 33.048 8.584 392 HD13 LEU 47 HD13 LEU 47 27.028 34.105 7.267 393 HD21 LEU 47 HD21 LEU 47 27.499 31.438 4.653 394 HD22 LEU 47 HD22 LEU 47 28.878 32.378 5.225 395 HD23 LEU 47 HD23 LEU 47 27.350 33.183 4.864 396 H PHE 48 H PHE 48 29.154 28.169 6.293 397 HA PHE 48 HA PHE 48 29.548 26.726 8.814 398 HB2 PHE 48 HB2 PHE 48 29.676 24.592 7.739 399 HB3 PHE 48 HB3 PHE 48 28.169 25.342 7.224 400 HD1 PHE 48 HD2 PHE 48 28.413 26.790 4.999 401 HD2 PHE 48 HD1 PHE 48 30.955 23.571 6.140 402 HE1 PHE 48 HE2 PHE 48 29.059 26.470 2.647 403 HE2 PHE 48 HE1 PHE 48 31.605 23.248 3.789 404 HZ PHE 48 HZ PHE 48 30.656 24.698 2.038 405 H SER 49 H SER 49 30.939 28.907 7.329 406 HA SER 49 HA SER 49 33.251 28.087 6.055 407 HB2 SER 49 HB2 SER 49 32.294 30.511 7.323 408 HB3 SER 49 HB3 SER 49 34.025 30.301 7.585 409 HG SER 49 HG SER 49 32.612 30.526 5.158 410 H GLN 50 H GLN 50 34.569 26.540 6.775 411 HA GLN 50 HA GLN 50 36.069 25.421 8.068 412 HB2 GLN 50 HB2 GLN 50 36.470 28.131 8.634 413 HB3 GLN 50 HB3 GLN 50 36.413 27.343 10.206 414 HG2 GLN 50 HG2 GLN 50 38.431 26.465 9.939 415 HG3 GLN 50 HG3 GLN 50 38.036 25.860 8.331 416 HE21 GLN 50 HE21 GLN 50 38.038 27.531 6.589 417 HE22 GLN 50 HE22 GLN 50 39.282 28.728 6.640 418 H SER 51 H SER 51 36.510 25.199 10.739 419 HA SER 51 HA SER 51 34.137 23.829 11.601 420 HB2 SER 51 HB2 SER 51 36.697 24.288 13.148 421 HB3 SER 51 HB3 SER 51 35.472 23.058 13.463 422 HG SER 51 HG SER 51 36.828 21.927 12.273 423 H ALA 52 H ALA 52 33.102 26.155 11.445 424 HA ALA 52 HA ALA 52 33.329 27.502 14.046 425 HB1 ALA 52 HB1 ALA 52 32.075 29.350 12.935 426 HB2 ALA 52 HB2 ALA 52 33.647 29.003 12.212 427 HB3 ALA 52 HB3 ALA 52 32.172 28.439 11.427 428 H ILE 53 H ILE 53 30.963 26.141 11.787 429 HA ILE 53 HA ILE 53 29.171 25.647 14.041 430 HB ILE 53 HB ILE 53 28.227 26.983 11.502 431 HG12 ILE 53 HG12 ILE 53 28.503 28.059 14.317 432 HG13 ILE 53 HG13 ILE 53 29.444 28.554 12.913 433 HG21 ILE 53 HG21 ILE 53 26.855 25.366 13.338 434 HG22 ILE 53 HG22 ILE 53 26.365 27.024 13.682 435 HG23 ILE 53 HG23 ILE 53 26.168 26.366 12.059 436 HD11 ILE 53 HD11 ILE 53 26.712 28.870 12.263 437 HD12 ILE 53 HD12 ILE 53 26.978 29.581 13.855 438 HD13 ILE 53 HD13 ILE 53 27.944 30.113 12.480 439 H SER 54 H SER 54 30.125 23.502 13.523 440 HA SER 54 HA SER 54 29.822 22.102 11.176 441 HB2 SER 54 HB2 SER 54 29.227 20.289 13.283 442 HB3 SER 54 HB3 SER 54 30.768 20.532 12.461 443 HG SER 54 HG SER 54 29.889 21.481 14.917 444 H GLN 55 H GLN 55 28.032 22.052 9.975 445 HA GLN 55 HA GLN 55 25.409 22.313 10.909 446 HB2 GLN 55 HB2 GLN 55 26.435 21.073 8.352 447 HB3 GLN 55 HB3 GLN 55 24.747 21.458 8.661 448 HG2 GLN 55 HG2 GLN 55 25.644 23.850 9.111 449 HG3 GLN 55 HG3 GLN 55 27.053 23.295 8.208 450 HE21 GLN 55 HE21 GLN 55 26.530 22.242 6.083 451 HE22 GLN 55 HE22 GLN 55 25.293 22.978 5.128 452 H LYS 56 H LYS 56 27.513 19.658 11.039 453 HA LYS 56 HA LYS 56 25.419 17.650 11.102 454 HB2 LYS 56 HB2 LYS 56 27.308 16.086 11.577 455 HB3 LYS 56 HB3 LYS 56 27.488 16.990 10.080 456 HG2 LYS 56 HG2 LYS 56 29.212 18.279 10.905 457 HG3 LYS 56 HG3 LYS 56 28.744 18.014 12.586 458 HD2 LYS 56 HD2 LYS 56 30.322 16.442 12.674 459 HD3 LYS 56 HD3 LYS 56 29.309 15.472 11.603 460 HE2 LYS 56 HE2 LYS 56 30.430 16.815 9.704 461 HE3 LYS 56 HE3 LYS 56 31.635 17.236 10.921 462 HZ1 LYS 56 HZ1 LYS 56 32.451 15.146 10.969 463 HZ2 LYS 56 HZ2 LYS 56 31.831 15.091 9.397 464 HZ3 LYS 56 HZ3 LYS 56 30.954 14.414 10.675 465 H GLU 57 H GLU 57 26.508 19.897 13.230 466 HA GLU 57 HA GLU 57 25.453 18.401 15.492 467 HB2 GLU 57 HB2 GLU 57 28.273 18.990 15.132 468 HB3 GLU 57 HB3 GLU 57 27.645 19.716 16.605 469 HG2 GLU 57 HG2 GLU 57 26.946 17.611 17.447 470 HG3 GLU 57 HG3 GLU 57 27.254 16.822 15.901 471 H TYR 58 H TYR 58 25.149 20.958 13.690 472 HA TYR 58 HA TYR 58 25.058 23.028 15.724 473 HB2 TYR 58 HB2 TYR 58 24.766 24.553 13.995 474 HB3 TYR 58 HB3 TYR 58 25.732 23.301 13.221 475 HD1 TYR 58 HD2 TYR 58 23.600 21.256 12.750 476 HD2 TYR 58 HD1 TYR 58 23.595 25.472 12.181 477 HE1 TYR 58 HE2 TYR 58 21.887 21.012 11.001 478 HE2 TYR 58 HE1 TYR 58 21.881 25.241 10.432 479 HH TYR 58 HH TYR 58 20.604 22.050 9.523 480 H ASP 59 H ASP 59 22.933 24.506 15.317 481 HA ASP 59 HA ASP 59 20.672 22.710 15.885 482 HB2 ASP 59 HB2 ASP 59 21.682 25.038 17.224 483 HB3 ASP 59 HB3 ASP 59 20.040 25.354 16.672 484 H SER 60 H SER 60 18.517 23.512 15.243 485 HA SER 60 HA SER 60 18.646 24.604 12.538 486 HB2 SER 60 HB2 SER 60 17.026 22.639 13.849 487 HB3 SER 60 HB3 SER 60 15.979 23.915 13.230 488 HG SER 60 HG SER 60 16.850 23.593 11.186 489 H SER 61 H SER 61 17.634 25.451 15.725 490 HA SER 61 HA SER 61 15.676 27.357 15.242 491 HB2 SER 61 HB2 SER 61 17.625 26.839 17.413 492 HB3 SER 61 HB3 SER 61 16.937 28.462 17.360 493 HG SER 61 HG SER 61 15.421 26.061 17.345 494 H LEU 62 H LEU 62 19.127 27.526 14.797 495 HA LEU 62 HA LEU 62 19.128 30.396 14.413 496 HB2 LEU 62 HB2 LEU 62 21.479 30.188 14.053 497 HB3 LEU 62 HB3 LEU 62 21.035 29.195 15.440 498 HG LEU 62 HG LEU 62 20.957 27.512 13.176 499 HD11 LEU 62 HD11 LEU 62 23.137 29.519 13.093 500 HD12 LEU 62 HD12 LEU 62 22.329 28.664 11.779 501 HD13 LEU 62 HD13 LEU 62 23.553 27.841 12.745 502 HD21 LEU 62 HD21 LEU 62 23.114 27.705 15.269 503 HD22 LEU 62 HD22 LEU 62 22.606 26.276 14.367 504 HD23 LEU 62 HD23 LEU 62 21.526 26.995 15.563 505 H ALA 63 H ALA 63 18.736 27.562 12.510 506 HA ALA 63 HA ALA 63 19.387 28.896 10.009 507 HB1 ALA 63 HB1 ALA 63 19.723 26.361 10.698 508 HB2 ALA 63 HB2 ALA 63 18.089 26.227 10.046 509 HB3 ALA 63 HB3 ALA 63 19.396 26.839 9.031 510 H THR 64 H THR 64 17.926 29.461 8.427 511 HA THR 64 HA THR 64 15.106 28.934 8.742 512 HB THR 64 HB THR 64 15.646 31.838 8.512 513 HG1 THR 64 HG1 THR 64 16.085 32.105 10.649 514 HG21 THR 64 HG21 THR 64 13.603 31.947 9.890 515 HG22 THR 64 HG22 THR 64 13.599 30.187 9.998 516 HG23 THR 64 HG23 THR 64 13.374 30.976 8.437 517 H LEU 65 H LEU 65 15.288 27.988 6.701 518 HA LEU 65 HA LEU 65 15.350 29.915 4.500 519 HB2 LEU 65 HB2 LEU 65 16.620 27.336 3.892 520 HB3 LEU 65 HB3 LEU 65 17.037 28.961 3.354 521 HG LEU 65 HG LEU 65 17.919 29.213 5.813 522 HD11 LEU 65 HD11 LEU 65 18.028 27.385 7.062 523 HD12 LEU 65 HD12 LEU 65 18.852 26.501 5.779 524 HD13 LEU 65 HD13 LEU 65 17.090 26.537 5.834 525 HD21 LEU 65 HD21 LEU 65 19.098 28.977 3.438 526 HD22 LEU 65 HD22 LEU 65 19.668 27.475 4.167 527 HD23 LEU 65 HD23 LEU 65 20.010 29.020 4.947 528 H ASP 66 H ASP 66 13.057 28.945 5.547 529 HA ASP 66 HA ASP 66 11.115 27.869 5.046 530 HB2 ASP 66 HB2 ASP 66 12.397 27.808 2.308 531 HB3 ASP 66 HB3 ASP 66 10.713 27.399 2.625 532 H HIS 67 H HIS 67 11.236 26.028 6.259 533 HA HIS 67 HA HIS 67 12.629 23.702 5.176 534 HB2 HIS 67 HB2 HIS 67 11.184 23.989 7.818 535 HB3 HIS 67 HB3 HIS 67 12.265 22.681 7.347 536 HD1 HIS 67 HD1 HIS 67 12.666 24.605 9.837 537 HD2 HIS 67 HD2 HIS 67 14.592 24.904 6.168 538 HE1 HIS 67 HE1 HIS 67 14.793 25.868 10.295 539 H THR 68 H THR 68 11.638 21.878 4.464 540 HA THR 68 HA THR 68 8.710 22.004 4.204 541 HB THR 68 HB THR 68 10.746 20.497 2.552 542 HG1 THR 68 HG1 THR 68 9.570 21.974 0.940 543 HG21 THR 68 HG21 THR 68 7.736 20.487 2.498 544 HG22 THR 68 HG22 THR 68 8.835 19.111 2.589 545 HG23 THR 68 HG23 THR 68 8.705 20.039 1.096 546 H GLU 69 H GLU 69 7.777 20.891 5.807 547 HA GLU 69 HA GLU 69 9.014 18.572 6.981 548 HB2 GLU 69 HB2 GLU 69 7.012 18.494 8.403 549 HB3 GLU 69 HB3 GLU 69 7.728 20.099 8.378 550 HG2 GLU 69 HG2 GLU 69 5.876 20.144 6.317 551 HG3 GLU 69 HG3 GLU 69 5.082 19.242 7.607 552 H ILE 70 H ILE 70 8.652 16.489 6.523 553 HA ILE 70 HA ILE 70 6.931 15.855 4.274 554 HB ILE 70 HB ILE 70 8.791 14.096 5.875 555 HG12 ILE 70 HG12 ILE 70 9.968 14.197 3.516 556 HG13 ILE 70 HG13 ILE 70 9.076 15.706 3.369 557 HG21 ILE 70 HG21 ILE 70 6.755 13.477 3.906 558 HG22 ILE 70 HG22 ILE 70 8.352 12.913 3.416 559 HG23 ILE 70 HG23 ILE 70 7.672 12.400 4.960 560 HD11 ILE 70 HD11 ILE 70 11.445 15.847 4.241 561 HD12 ILE 70 HD12 ILE 70 10.204 16.667 5.188 562 HD13 ILE 70 HD13 ILE 70 10.836 15.110 5.722 563 H LYS 71 H LYS 71 4.828 15.863 4.908 564 HA LYS 71 HA LYS 71 4.056 14.381 7.306 565 HB2 LYS 71 HB2 LYS 71 1.826 15.364 6.935 566 HB3 LYS 71 HB3 LYS 71 3.080 16.593 7.036 567 HG2 LYS 71 HG2 LYS 71 2.977 16.097 4.351 568 HG3 LYS 71 HG3 LYS 71 1.290 15.909 4.836 569 HD2 LYS 71 HD2 LYS 71 1.145 18.134 4.717 570 HD3 LYS 71 HD3 LYS 71 2.115 18.176 6.190 571 HE2 LYS 71 HE2 LYS 71 3.191 19.608 4.647 572 HE3 LYS 71 HE3 LYS 71 4.153 18.131 4.701 573 HZ1 LYS 71 HZ1 LYS 71 2.111 18.719 2.629 574 HZ2 LYS 71 HZ2 LYS 71 3.181 17.409 2.655 575 HZ3 LYS 71 HZ3 LYS 71 3.772 18.978 2.431 576 H ALA 72 H ALA 72 2.786 12.569 7.286 577 HA ALA 72 HA ALA 72 2.976 10.767 5.203 578 HB1 ALA 72 HB1 ALA 72 1.875 10.775 7.765 579 HB2 ALA 72 HB2 ALA 72 0.553 10.310 6.694 580 HB3 ALA 72 HB3 ALA 72 2.058 9.391 6.687 581 HA PRO 73 HA PRO 73 0.050 12.054 2.177 582 HB2 PRO 73 HB2 PRO 73 -0.420 9.665 0.976 583 HB3 PRO 73 HB3 PRO 73 1.084 10.568 0.762 584 HG2 PRO 73 HG2 PRO 73 0.507 8.249 2.564 585 HG3 PRO 73 HG3 PRO 73 1.930 8.551 1.551 586 HD2 PRO 73 HD2 PRO 73 1.913 9.026 4.216 587 HD3 PRO 73 HD3 PRO 73 2.868 9.999 3.079 588 H PHE 74 H PHE 74 -0.710 9.370 4.320 589 HA PHE 74 HA PHE 74 -3.297 10.295 4.894 590 HB2 PHE 74 HB2 PHE 74 -4.372 8.104 3.821 591 HB3 PHE 74 HB3 PHE 74 -4.256 9.618 2.929 592 HD1 PHE 74 HD2 PHE 74 -1.903 6.813 3.667 593 HD2 PHE 74 HD1 PHE 74 -3.732 9.290 0.729 594 HE1 PHE 74 HE2 PHE 74 -0.612 5.673 1.910 595 HE2 PHE 74 HE1 PHE 74 -2.446 8.153 -1.035 596 HZ PHE 74 HZ PHE 74 -0.882 6.343 -0.444 597 H ASP 75 H ASP 75 -4.494 8.821 6.308 598 HA ASP 75 HA ASP 75 -3.011 7.736 8.327 599 HB2 ASP 75 HB2 ASP 75 -5.807 7.273 7.384 600 HB3 ASP 75 HB3 ASP 75 -5.161 6.222 8.642 601 H GLY 76 H GLY 76 -2.222 5.724 8.889 602 HA2 GLY 76 HA2 GLY 76 -2.655 3.286 7.708 603 HA3 GLY 76 HA3 GLY 76 -1.426 4.047 6.709 604 H THR 77 H THR 77 0.176 2.575 7.245 605 HA THR 77 HA THR 77 1.130 2.735 10.031 606 HB THR 77 HB THR 77 1.297 0.387 8.134 607 HG1 THR 77 HG1 THR 77 -0.685 0.812 9.416 608 HG21 THR 77 HG21 THR 77 2.320 -0.727 10.208 609 HG22 THR 77 HG22 THR 77 2.640 0.915 10.771 610 HG23 THR 77 HG23 THR 77 3.354 0.343 9.262 611 H ILE 78 H ILE 78 3.308 3.033 10.374 612 HA ILE 78 HA ILE 78 4.890 3.693 7.979 613 HB ILE 78 HB ILE 78 4.512 5.642 9.370 614 HG12 ILE 78 HG12 ILE 78 7.324 5.027 10.087 615 HG13 ILE 78 HG13 ILE 78 6.899 4.874 8.386 616 HG21 ILE 78 HG21 ILE 78 4.194 5.301 11.549 617 HG22 ILE 78 HG22 ILE 78 5.040 3.755 11.510 618 HG23 ILE 78 HG23 ILE 78 5.950 5.254 11.694 619 HD11 ILE 78 HD11 ILE 78 7.817 7.086 9.010 620 HD12 ILE 78 HD12 ILE 78 6.205 7.160 8.297 621 HD13 ILE 78 HD13 ILE 78 6.408 7.337 10.040 622 H GLY 79 H GLY 79 6.980 2.942 7.781 623 HA2 GLY 79 HA2 GLY 79 7.609 0.620 9.436 624 HA3 GLY 79 HA3 GLY 79 8.384 1.059 7.921 625 H ASP 80 H ASP 80 10.464 0.830 8.735 626 HA ASP 80 HA ASP 80 11.254 2.467 11.013 627 HB2 ASP 80 HB2 ASP 80 13.516 1.365 10.570 628 HB3 ASP 80 HB3 ASP 80 12.207 0.306 11.088 629 H ALA 81 H ALA 81 13.717 3.299 10.551 630 HA ALA 81 HA ALA 81 13.354 5.311 8.469 631 HB1 ALA 81 HB1 ALA 81 15.729 5.892 9.740 632 HB2 ALA 81 HB2 ALA 81 14.151 6.583 10.119 633 HB3 ALA 81 HB3 ALA 81 14.742 5.186 11.020 634 H LEU 82 H LEU 82 15.037 5.822 6.965 635 HA LEU 82 HA LEU 82 16.761 3.516 6.335 636 HB2 LEU 82 HB2 LEU 82 15.119 5.316 4.633 637 HB3 LEU 82 HB3 LEU 82 16.638 4.713 3.975 638 HG LEU 82 HG LEU 82 15.886 2.449 4.128 639 HD11 LEU 82 HD11 LEU 82 13.417 2.132 4.883 640 HD12 LEU 82 HD12 LEU 82 13.691 3.631 5.770 641 HD13 LEU 82 HD13 LEU 82 14.700 2.221 6.090 642 HD21 LEU 82 HD21 LEU 82 13.642 2.685 2.831 643 HD22 LEU 82 HD22 LEU 82 15.135 3.297 2.116 644 HD23 LEU 82 HD23 LEU 82 14.004 4.411 2.887 645 H VAL 83 H VAL 83 16.514 7.033 6.397 646 HA VAL 83 HA VAL 83 19.427 7.214 6.021 647 HB VAL 83 HB VAL 83 19.115 9.540 5.427 648 HG11 VAL 83 HG11 VAL 83 18.311 9.199 3.303 649 HG12 VAL 83 HG12 VAL 83 18.620 7.537 3.808 650 HG13 VAL 83 HG13 VAL 83 16.979 8.183 3.851 651 HG21 VAL 83 HG21 VAL 83 17.388 10.432 6.632 652 HG22 VAL 83 HG22 VAL 83 16.583 10.196 5.081 653 HG23 VAL 83 HG23 VAL 83 16.344 9.032 6.384 654 H ASN 84 H ASN 84 20.120 9.502 7.136 655 HA ASN 84 HA ASN 84 19.222 9.343 9.938 656 HB2 ASN 84 HB2 ASN 84 22.013 9.494 8.824 657 HB3 ASN 84 HB3 ASN 84 21.656 10.058 10.454 658 HD21 ASN 84 HD21 ASN 84 21.553 7.276 8.317 659 HD22 ASN 84 HD22 ASN 84 21.611 6.082 9.565 660 H ILE 85 H ILE 85 19.756 11.338 11.198 661 HA ILE 85 HA ILE 85 18.752 13.625 9.827 662 HB ILE 85 HB ILE 85 20.037 13.608 12.554 663 HG12 ILE 85 HG12 ILE 85 18.341 11.833 12.432 664 HG13 ILE 85 HG13 ILE 85 17.810 13.153 13.469 665 HG21 ILE 85 HG21 ILE 85 18.330 15.486 11.017 666 HG22 ILE 85 HG22 ILE 85 18.068 15.373 12.757 667 HG23 ILE 85 HG23 ILE 85 19.657 15.814 12.131 668 HD11 ILE 85 HD11 ILE 85 16.895 12.516 10.682 669 HD12 ILE 85 HD12 ILE 85 15.951 12.497 12.172 670 HD13 ILE 85 HD13 ILE 85 16.516 14.028 11.505 671 H GLY 86 H GLY 86 19.782 15.640 9.488 672 HA2 GLY 86 HA2 GLY 86 21.524 17.053 8.972 673 HA3 GLY 86 HA3 GLY 86 22.564 16.035 9.958 674 H ASP 87 H ASP 87 20.862 14.379 7.515 675 HA ASP 87 HA ASP 87 23.324 14.245 5.907 676 HB2 ASP 87 HB2 ASP 87 21.705 12.211 6.990 677 HB3 ASP 87 HB3 ASP 87 21.412 12.190 5.254 678 H TYR 88 H TYR 88 23.308 14.853 3.827 679 HA TYR 88 HA TYR 88 21.224 16.401 2.783 680 HB2 TYR 88 HB2 TYR 88 23.547 16.618 2.033 681 HB3 TYR 88 HB3 TYR 88 23.476 15.016 1.309 682 HD1 TYR 88 HD2 TYR 88 22.402 18.508 1.002 683 HD2 TYR 88 HD1 TYR 88 22.299 14.645 -0.777 684 HE1 TYR 88 HE2 TYR 88 21.596 19.503 -1.098 685 HE2 TYR 88 HE1 TYR 88 21.493 15.628 -2.882 686 HH TYR 88 HH TYR 88 20.094 18.066 -3.356 687 H VAL 89 H VAL 89 19.665 16.018 1.222 688 HA VAL 89 HA VAL 89 19.304 13.305 0.220 689 HB VAL 89 HB VAL 89 16.851 13.400 0.881 690 HG11 VAL 89 HG11 VAL 89 17.330 12.006 2.576 691 HG12 VAL 89 HG12 VAL 89 19.008 12.285 2.107 692 HG13 VAL 89 HG13 VAL 89 18.294 13.211 3.428 693 HG21 VAL 89 HG21 VAL 89 17.292 14.932 3.267 694 HG22 VAL 89 HG22 VAL 89 17.622 15.923 1.846 695 HG23 VAL 89 HG23 VAL 89 16.055 15.131 2.026 696 H SER 90 H SER 90 17.881 13.162 -1.572 697 HA SER 90 HA SER 90 17.635 15.687 -3.018 698 HB2 SER 90 HB2 SER 90 18.277 13.023 -3.766 699 HB3 SER 90 HB3 SER 90 16.770 13.446 -4.577 700 HG SER 90 HG SER 90 17.789 15.242 -5.461 701 H ALA 91 H ALA 91 15.604 15.225 -4.747 702 HA ALA 91 HA ALA 91 13.328 15.954 -3.307 703 HB1 ALA 91 HB1 ALA 91 13.221 14.675 -6.023 704 HB2 ALA 91 HB2 ALA 91 12.164 15.915 -5.346 705 HB3 ALA 91 HB3 ALA 91 13.828 16.313 -5.777 706 H SER 92 H SER 92 11.363 14.265 -4.658 707 HA SER 92 HA SER 92 10.812 12.438 -2.648 708 HB2 SER 92 HB2 SER 92 9.518 13.309 -4.924 709 HB3 SER 92 HB3 SER 92 9.803 11.603 -5.269 710 HG SER 92 HG SER 92 7.809 12.140 -4.101 711 H THR 93 H THR 93 13.103 12.225 -5.148 712 HA THR 93 HA THR 93 13.194 9.459 -5.613 713 HB THR 93 HB THR 93 15.445 11.477 -5.712 714 HG1 THR 93 HG1 THR 93 14.877 11.703 -7.829 715 HG21 THR 93 HG21 THR 93 16.150 9.590 -7.490 716 HG22 THR 93 HG22 THR 93 15.320 8.580 -6.304 717 HG23 THR 93 HG23 THR 93 16.687 9.579 -5.810 718 H THR 94 H THR 94 14.372 11.408 -2.984 719 HA THR 94 HA THR 94 16.004 9.259 -1.904 720 HB THR 94 HB THR 94 15.428 12.062 -0.946 721 HG1 THR 94 HG1 THR 94 17.900 10.835 -1.637 722 HG21 THR 94 HG21 THR 94 16.380 9.754 0.562 723 HG22 THR 94 HG22 THR 94 15.848 11.336 1.132 724 HG23 THR 94 HG23 THR 94 17.509 11.107 0.591 725 H GLU 95 H GLU 95 14.574 7.636 -1.347 726 HA GLU 95 HA GLU 95 12.297 8.222 0.346 727 HB2 GLU 95 HB2 GLU 95 12.047 5.684 0.291 728 HB3 GLU 95 HB3 GLU 95 11.866 6.534 -1.238 729 HG2 GLU 95 HG2 GLU 95 13.811 5.702 -2.096 730 HG3 GLU 95 HG3 GLU 95 14.551 5.493 -0.511 731 H LEU 96 H LEU 96 12.476 8.415 2.469 732 HA LEU 96 HA LEU 96 14.713 7.084 3.834 733 HB2 LEU 96 HB2 LEU 96 13.893 8.715 5.719 734 HB3 LEU 96 HB3 LEU 96 14.934 9.277 4.411 735 HG LEU 96 HG LEU 96 13.058 10.819 5.029 736 HD11 LEU 96 HD11 LEU 96 13.325 11.618 2.980 737 HD12 LEU 96 HD12 LEU 96 12.325 10.333 2.305 738 HD13 LEU 96 HD13 LEU 96 14.059 10.085 2.509 739 HD21 LEU 96 HD21 LEU 96 11.218 9.012 3.529 740 HD22 LEU 96 HD22 LEU 96 10.847 10.297 4.680 741 HD23 LEU 96 HD23 LEU 96 11.473 8.750 5.255 742 H VAL 97 H VAL 97 11.293 7.137 3.528 743 HA VAL 97 HA VAL 97 11.048 4.869 5.291 744 HB VAL 97 HB VAL 97 10.862 6.824 6.841 745 HG11 VAL 97 HG11 VAL 97 9.394 7.970 4.845 746 HG12 VAL 97 HG12 VAL 97 8.140 7.464 5.979 747 HG13 VAL 97 HG13 VAL 97 9.442 8.526 6.518 748 HG21 VAL 97 HG21 VAL 97 9.534 4.502 6.880 749 HG22 VAL 97 HG22 VAL 97 9.358 5.727 8.137 750 HG23 VAL 97 HG23 VAL 97 8.163 5.611 6.845 751 H ARG 98 H ARG 98 9.027 3.780 5.085 752 HA ARG 98 HA ARG 98 7.405 4.680 2.797 753 HB2 ARG 98 HB2 ARG 98 7.163 2.395 2.066 754 HB3 ARG 98 HB3 ARG 98 8.876 2.763 2.221 755 HG2 ARG 98 HG2 ARG 98 7.392 1.451 4.462 756 HG3 ARG 98 HG3 ARG 98 7.994 0.508 3.098 757 HD2 ARG 98 HD2 ARG 98 10.178 1.995 3.712 758 HD3 ARG 98 HD3 ARG 98 9.450 1.791 5.304 759 HE ARG 98 HE ARG 98 10.808 -0.192 3.790 760 HH11 ARG 98 HH11 ARG 98 8.167 0.278 6.010 761 HH12 ARG 98 HH12 ARG 98 8.232 -1.337 6.633 762 HH21 ARG 98 HH21 ARG 98 10.904 -2.321 4.603 763 HH22 ARG 98 HH22 ARG 98 9.790 -2.815 5.833 764 H VAL 99 H VAL 99 5.183 4.001 2.806 765 HA VAL 99 HA VAL 99 4.172 3.450 5.521 766 HB VAL 99 HB VAL 99 3.639 5.725 4.613 767 HG11 VAL 99 HG11 VAL 99 3.377 5.065 2.260 768 HG12 VAL 99 HG12 VAL 99 1.908 4.183 2.682 769 HG13 VAL 99 HG13 VAL 99 1.969 5.937 2.864 770 HG21 VAL 99 HG21 VAL 99 1.188 5.567 5.144 771 HG22 VAL 99 HG22 VAL 99 1.392 3.818 5.234 772 HG23 VAL 99 HG23 VAL 99 2.263 4.865 6.354 773 H THR 100 H THR 100 2.526 1.970 5.783 774 HA THR 100 HA THR 100 1.681 0.483 3.388 775 HB THR 100 HB THR 100 1.741 -1.607 4.796 776 HG1 THR 100 HG1 THR 100 2.821 -1.561 6.716 777 HG21 THR 100 HG21 THR 100 4.288 -1.789 4.679 778 HG22 THR 100 HG22 THR 100 4.262 -0.131 4.077 779 HG23 THR 100 HG23 THR 100 3.442 -1.409 3.180 780 H ASN 101 H ASN 101 -0.225 -0.989 3.912 781 HA ASN 101 HA ASN 101 -2.427 -1.141 4.466 782 HB2 ASN 101 HB2 ASN 101 -1.071 -1.331 6.772 783 HB3 ASN 101 HB3 ASN 101 -1.998 0.125 7.121 784 HD21 ASN 101 HD21 ASN 101 -3.185 -0.912 8.715 785 HD22 ASN 101 HD22 ASN 101 -4.419 -2.062 8.342 786 H LEU 102 H LEU 102 -3.296 0.351 3.054 787 HA LEU 102 HA LEU 102 -4.243 2.815 4.297 788 HB2 LEU 102 HB2 LEU 102 -3.688 3.692 1.767 789 HB3 LEU 102 HB3 LEU 102 -2.732 4.036 3.208 790 HG LEU 102 HG LEU 102 -2.123 1.595 1.598 791 HD11 LEU 102 HD11 LEU 102 -2.267 4.019 0.341 792 HD12 LEU 102 HD12 LEU 102 -1.238 2.673 -0.147 793 HD13 LEU 102 HD13 LEU 102 -0.582 3.963 0.860 794 HD21 LEU 102 HD21 LEU 102 0.018 3.288 2.638 795 HD22 LEU 102 HD22 LEU 102 -0.248 1.553 2.816 796 HD23 LEU 102 HD23 LEU 102 -1.079 2.688 3.881 797 H ASN 103 H ASN 103 -5.727 3.977 2.555 798 HA ASN 103 HA ASN 103 -7.750 2.032 1.886 799 HB2 ASN 103 HB2 ASN 103 -7.940 4.931 1.148 800 HB3 ASN 103 HB3 ASN 103 -9.214 3.826 1.655 801 HD21 ASN 103 HD21 ASN 103 -6.596 5.861 2.701 802 HD22 ASN 103 HD22 ASN 103 -7.037 5.909 4.371 803 HA PRO 104 HA PRO 104 -6.894 1.524 -2.389 804 HB2 PRO 104 HB2 PRO 104 -9.398 1.268 -3.406 805 HB3 PRO 104 HB3 PRO 104 -8.623 0.012 -2.435 806 HG2 PRO 104 HG2 PRO 104 -10.625 2.078 -1.608 807 HG3 PRO 104 HG3 PRO 104 -10.552 0.357 -1.183 808 HD2 PRO 104 HD2 PRO 104 -9.703 2.308 0.490 809 HD3 PRO 104 HD3 PRO 104 -8.957 0.697 0.445 810 H ILE 105 H ILE 105 -6.013 3.538 -2.953 811 HA ILE 105 HA ILE 105 -7.820 5.688 -3.724 812 HB ILE 105 HB ILE 105 -4.811 5.667 -3.930 813 HG12 ILE 105 HG12 ILE 105 -5.435 5.202 -1.619 814 HG13 ILE 105 HG13 ILE 105 -4.815 6.844 -1.756 815 HG21 ILE 105 HG21 ILE 105 -5.535 7.469 -5.172 816 HG22 ILE 105 HG22 ILE 105 -6.939 7.749 -4.143 817 HG23 ILE 105 HG23 ILE 105 -5.330 8.196 -3.578 818 HD11 ILE 105 HD11 ILE 105 -7.481 5.885 -1.008 819 HD12 ILE 105 HD12 ILE 105 -6.622 7.353 -0.540 820 HD13 ILE 105 HD13 ILE 105 -7.459 7.276 -2.090 821 H TYR 106 H TYR 106 -7.851 6.617 -5.808 822 HA TYR 106 HA TYR 106 -6.434 5.430 -7.995 823 HB2 TYR 106 HB2 TYR 106 -8.649 4.796 -9.168 824 HB3 TYR 106 HB3 TYR 106 -7.993 3.685 -7.972 825 HD1 TYR 106 HD2 TYR 106 -9.062 3.446 -5.779 826 HD2 TYR 106 HD1 TYR 106 -10.706 5.989 -8.767 827 HE1 TYR 106 HE2 TYR 106 -11.185 3.521 -4.539 828 HE2 TYR 106 HE1 TYR 106 -12.833 6.072 -7.535 829 HH TYR 106 HH TYR 106 -13.965 4.269 -5.695 830 H ALA 107 H ALA 107 -6.965 8.054 -6.791 831 HA ALA 107 HA ALA 107 -7.558 9.467 -9.243 832 HB1 ALA 107 HB1 ALA 107 -9.138 10.935 -7.562 833 HB2 ALA 107 HB2 ALA 107 -9.721 9.767 -8.751 834 HB3 ALA 107 HB3 ALA 107 -9.503 9.280 -7.069 835 H ASP 108 H ASP 108 -7.554 10.328 -5.783 836 HA ASP 108 HA ASP 108 -6.264 11.759 -4.570 837 HB2 ASP 108 HB2 ASP 108 -4.475 10.212 -5.707 838 HB3 ASP 108 HB3 ASP 108 -4.106 11.656 -6.645 839 H GLY 109 H GLY 109 -5.015 13.913 -4.739 840 HA2 GLY 109 HA2 GLY 109 -6.647 15.695 -6.291 841 HA3 GLY 109 HA3 GLY 109 -5.334 16.151 -5.216 842 H SER 110 H SER 110 -4.648 17.697 -6.770 843 HA SER 110 HA SER 110 -3.599 16.637 -9.287 844 HB2 SER 110 HB2 SER 110 -4.704 18.587 -9.824 845 HB3 SER 110 HB3 SER 110 -4.319 19.355 -8.284 846 HG SER 110 HG SER 110 -3.180 20.063 -10.319 847 H HIS 111 H HIS 111 -2.467 18.850 -6.724 848 HA HIS 111 HA HIS 111 -0.005 17.491 -6.370 849 HB2 HIS 111 HB2 HIS 111 0.126 18.843 -8.656 850 HB3 HIS 111 HB3 HIS 111 0.485 20.178 -7.565 851 HD1 HIS 111 HD1 HIS 111 2.898 20.483 -7.179 852 HD2 HIS 111 HD2 HIS 111 1.963 16.517 -7.986 853 HE1 HIS 111 HE1 HIS 111 5.094 19.259 -7.165 854 H HIS 112 H HIS 112 -1.092 20.892 -6.362 855 HA HIS 112 HA HIS 112 -0.924 22.502 -4.741 856 HB2 HIS 112 HB2 HIS 112 -2.122 21.972 -2.708 857 HB3 HIS 112 HB3 HIS 112 -2.932 21.195 -4.066 858 HD1 HIS 112 HD1 HIS 112 -0.594 20.343 -1.212 859 HD2 HIS 112 HD2 HIS 112 -3.252 18.495 -3.816 860 HE1 HIS 112 HE1 HIS 112 -0.789 17.969 -0.401 861 H HIS 113 H HIS 113 -0.393 22.415 -2.029 862 HA HIS 113 HA HIS 113 1.965 20.944 -1.418 863 HB2 HIS 113 HB2 HIS 113 3.484 22.944 -1.277 864 HB3 HIS 113 HB3 HIS 113 3.077 22.447 -2.916 865 HD1 HIS 113 HD1 HIS 113 1.080 23.925 -4.049 866 HD2 HIS 113 HD2 HIS 113 3.015 25.567 -0.759 867 HE1 HIS 113 HE1 HIS 113 0.555 26.383 -4.118 868 H HIS 114 H HIS 114 0.117 23.896 -0.763 869 HA HIS 114 HA HIS 114 -0.572 24.874 1.174 870 HB2 HIS 114 HB2 HIS 114 -0.480 21.973 1.987 871 HB3 HIS 114 HB3 HIS 114 -1.047 23.233 3.080 872 HD1 HIS 114 HD1 HIS 114 -2.419 24.722 0.452 873 HD2 HIS 114 HD2 HIS 114 -3.130 20.932 1.995 874 HE1 HIS 114 HE1 HIS 114 -4.723 24.096 -0.338 875 H HIS 115 H HIS 115 1.880 25.576 0.889 876 HA HIS 115 HA HIS 115 3.696 24.661 2.891 877 HB2 HIS 115 HB2 HIS 115 5.161 26.402 2.129 878 HB3 HIS 115 HB3 HIS 115 4.373 25.712 0.714 879 HD1 HIS 115 HD1 HIS 115 5.311 28.852 1.982 880 HD2 HIS 115 HD2 HIS 115 1.879 27.416 0.134 881 HE1 HIS 115 HE1 HIS 115 4.130 30.883 1.087 882 H HIS 116 H HIS 116 4.653 26.158 4.528 883 HA HIS 116 HA HIS 116 2.695 28.049 5.625 884 HB2 HIS 116 HB2 HIS 116 2.960 25.564 6.692 885 HB3 HIS 116 HB3 HIS 116 4.169 26.446 7.622 886 HD1 HIS 116 HD1 HIS 116 1.453 25.299 8.774 887 HD2 HIS 116 HD2 HIS 116 2.178 29.243 7.690 888 HE1 HIS 116 HE1 HIS 116 -0.203 26.670 10.080 889 H2 B6D 117 H2 B6D 117 19.667 36.968 0.383 890 H1 B6D 117 H1 B6D 117 22.369 36.196 1.638 891 H3 B6D 117 H3 B6D 117 22.394 38.346 0.255 892 HN2 B6D 117 HN2 B6D 117 22.169 36.092 -0.961 893 H5 B6D 117 H5 B6D 117 22.381 38.444 2.897 894 H8 B6D 117 H22 B6D 117 21.030 35.168 -3.742 895 H8A B6D 117 H21 B6D 117 20.386 33.729 -2.916 896 H8B B6D 117 H23 B6D 117 21.987 34.376 -2.466 897 H4 B6D 117 H4 B6D 117 19.749 39.197 1.528 898 HN4 B6D 117 HN4 B6D 117 22.228 40.650 1.006 899 H9 B6D 117 H43 B6D 117 22.326 42.943 2.829 900 H9A B6D 117 H41 B6D 117 22.018 43.020 1.075 901 H9B B6D 117 H42 B6D 117 20.866 43.767 2.209 902 H6 B6D 117 H62 B6D 117 21.143 38.571 4.992 903 H6A B6D 117 H63 B6D 117 20.934 40.121 4.153 904 H6B B6D 117 H61 B6D 117 19.628 38.925 4.140 905 H1 A2G 118 H1 A2G 118 22.603 40.115 -1.104 906 H2 A2G 118 H2 A2G 118 21.848 41.440 -3.076 907 H3 A2G 118 H3 A2G 118 19.251 39.873 -2.676 908 H4 A2G 118 H4 A2G 118 19.646 39.053 -4.926 909 H5 A2G 118 H5 A2G 118 20.612 37.786 -3.224 910 H61 A2G 118 H61 A2G 118 22.401 37.866 -5.612 911 H62 A2G 118 H62 A2G 118 21.267 36.623 -5.063 912 H81 A2G 118 H81 A2G 118 19.636 45.106 -0.950 913 H82 A2G 118 H82 A2G 118 21.026 44.486 -0.023 914 H83 A2G 118 H83 A2G 118 19.444 43.680 0.114 915 HO3 A2G 118 HO3 A2G 118 19.230 41.460 -4.822 916 HO6 A2G 118 HO6 A2G 118 23.407 37.200 -3.352 917 HN2 A2G 118 HN2 A2G 118 20.532 41.622 -0.503 918 H1 A2G 119 H1 A2G 119 21.064 38.790 -6.877 919 H2 A2G 119 H2 A2G 119 22.450 40.012 -8.551 920 H3 A2G 119 H3 A2G 119 22.839 41.986 -6.247 921 H4 A2G 119 H4 A2G 119 21.815 43.603 -7.740 922 H5 A2G 119 H5 A2G 119 20.327 42.410 -6.397 923 H61 A2G 119 H61 A2G 119 18.806 42.328 -8.993 924 H62 A2G 119 H62 A2G 119 19.218 43.827 -8.147 925 H81 A2G 119 H81 A2G 119 26.427 38.527 -6.659 926 H82 A2G 119 H82 A2G 119 26.119 37.279 -7.893 927 H83 A2G 119 H83 A2G 119 25.151 37.300 -6.397 928 HO3 A2G 119 HO3 A2G 119 24.022 42.970 -8.267 929 HO6 A2G 119 HO6 A2G 119 17.617 43.447 -6.840 930 HN2 A2G 119 HN2 A2G 119 23.707 39.249 -5.998 931 H1 A2G 120 H1 A2G 120 20.940 44.309 -9.773 932 H2 A2G 120 H2 A2G 120 20.880 44.067 -12.254 933 H3 A2G 120 H3 A2G 120 21.876 41.241 -11.636 934 H4 A2G 120 H4 A2G 120 23.806 41.855 -12.974 935 H5 A2G 120 H5 A2G 120 23.972 42.354 -10.701 936 H61 A2G 120 H61 A2G 120 25.124 44.885 -11.859 937 H62 A2G 120 H62 A2G 120 25.842 43.282 -12.078 938 H81 A2G 120 H81 A2G 120 16.503 43.568 -10.251 939 H82 A2G 120 H82 A2G 120 17.159 41.971 -10.693 940 H83 A2G 120 H83 A2G 120 16.588 43.074 -11.969 941 HO6 A2G 120 HO6 A2G 120 25.386 44.631 -9.607 942 HN2 A2G 120 HN2 A2G 120 19.313 41.781 -11.573 943 H1 A2G 121 H1 A2G 121 25.181 43.590 -14.043 944 H2 A2G 121 H2 A2G 121 25.147 45.403 -15.754 945 H3 A2G 121 H3 A2G 121 22.196 45.588 -14.967 946 H4 A2G 121 H4 A2G 121 21.759 45.065 -17.297 947 H5 A2G 121 H5 A2G 121 21.965 43.219 -15.887 948 H61 A2G 121 H61 A2G 121 23.221 41.411 -17.435 949 H62 A2G 121 H62 A2G 121 23.000 42.729 -18.594 950 H81 A2G 121 H81 A2G 121 25.606 47.428 -11.761 951 H82 A2G 121 H82 A2G 121 25.720 48.793 -12.902 952 H83 A2G 121 H83 A2G 121 27.198 47.934 -12.402 953 HO3 A2G 121 HO3 A2G 121 22.322 47.574 -15.535 954 HO6 A2G 121 HO6 A2G 121 21.190 41.086 -18.186 955 HN2 A2G 121 HN2 A2G 121 24.020 46.392 -13.203 956 H1 A2G 122 H1 A2G 122 22.438 44.549 -19.519 957 H2 A2G 122 H2 A2G 122 24.070 45.042 -21.339 958 H3 A2G 122 H3 A2G 122 25.914 45.735 -18.998 959 H4 A2G 122 H4 A2G 122 26.003 47.946 -19.997 960 H5 A2G 122 H5 A2G 122 24.274 47.617 -18.467 961 H61 A2G 122 H61 A2G 122 22.331 49.105 -19.223 962 H62 A2G 122 H62 A2G 122 23.241 49.278 -20.731 963 H81 A2G 122 H81 A2G 122 26.303 41.121 -20.397 964 H82 A2G 122 H82 A2G 122 25.559 40.658 -21.949 965 H83 A2G 122 H83 A2G 122 24.554 40.749 -20.481 966 HO3 A2G 122 HO3 A2G 122 27.548 45.710 -20.370 967 HO6 A2G 122 HO6 A2G 122 23.784 50.336 -18.237 968 HN2 A2G 122 HN2 A2G 122 24.799 43.068 -19.284 969 H2 BGC 123 H2 BGC 123 20.134 40.520 -15.577 970 H3 BGC 123 H3 BGC 123 21.064 37.648 -15.187 971 H4 BGC 123 H4 BGC 123 22.338 39.564 -17.212 972 H5 BGC 123 H5 BGC 123 23.501 38.509 -14.579 973 H6C1 BGC 123 H61 BGC 123 24.818 39.645 -16.980 974 H6C2 BGC 123 H62 BGC 123 25.176 40.551 -15.498 975 H1 BGC 123 H1 BGC 123 21.803 39.646 -13.164 976 HB BGC 123 HO2 BGC 123 18.655 39.210 -14.608 977 HC BGC 123 HO3 BGC 123 20.370 37.650 -17.429 978 HD BGC 123 HO4 BGC 123 23.306 37.749 -17.831 979 H6 BGC 123 HO6 BGC 123 25.832 37.923 -16.196 Start of MODEL 4 1 H1 ASP 1 H ASP 1 1.135 -1.013 0.825 2 HA ASP 1 HA ASP 1 3.451 -0.668 0.252 3 HB2 ASP 1 HB2 ASP 1 2.069 -2.331 -1.137 4 HB3 ASP 1 HB3 ASP 1 2.078 -1.097 -2.393 5 H VAL 2 H VAL 2 3.252 1.787 0.694 6 HA VAL 2 HA VAL 2 3.967 3.172 -1.800 7 HB VAL 2 HB VAL 2 2.307 4.381 0.416 8 HG11 VAL 2 HG11 VAL 2 2.051 6.176 -1.444 9 HG12 VAL 2 HG12 VAL 2 3.506 6.160 -0.445 10 HG13 VAL 2 HG13 VAL 2 3.544 5.480 -2.073 11 HG21 VAL 2 HG21 VAL 2 0.821 4.530 -1.871 12 HG22 VAL 2 HG22 VAL 2 1.593 2.953 -2.036 13 HG23 VAL 2 HG23 VAL 2 0.621 3.315 -0.609 14 H ILE 3 H ILE 3 5.574 4.729 -1.631 15 HA ILE 3 HA ILE 3 7.144 4.593 0.843 16 HB ILE 3 HB ILE 3 7.893 5.363 -1.972 17 HG12 ILE 3 HG12 ILE 3 7.759 2.910 -0.941 18 HG13 ILE 3 HG13 ILE 3 9.026 3.373 -2.072 19 HG21 ILE 3 HG21 ILE 3 9.047 6.923 -0.600 20 HG22 ILE 3 HG22 ILE 3 9.476 5.674 0.569 21 HG23 ILE 3 HG23 ILE 3 10.206 5.667 -1.036 22 HD11 ILE 3 HD11 ILE 3 9.425 3.622 0.881 23 HD12 ILE 3 HD12 ILE 3 9.684 2.092 0.041 24 HD13 ILE 3 HD13 ILE 3 10.631 3.513 -0.401 25 H ILE 4 H ILE 4 7.742 6.394 1.977 26 HA ILE 4 HA ILE 4 6.259 8.838 1.353 27 HB ILE 4 HB ILE 4 7.726 8.052 3.874 28 HG12 ILE 4 HG12 ILE 4 4.754 8.239 3.341 29 HG13 ILE 4 HG13 ILE 4 5.667 6.734 3.359 30 HG21 ILE 4 HG21 ILE 4 5.898 10.090 4.413 31 HG22 ILE 4 HG22 ILE 4 7.656 10.211 4.394 32 HG23 ILE 4 HG23 ILE 4 6.732 10.588 2.941 33 HD11 ILE 4 HD11 ILE 4 5.784 8.517 5.736 34 HD12 ILE 4 HD12 ILE 4 4.348 7.529 5.464 35 HD13 ILE 4 HD13 ILE 4 5.927 6.763 5.630 36 H LYS 5 H LYS 5 7.270 10.400 0.295 37 HA LYS 5 HA LYS 5 10.099 10.919 0.894 38 HB2 LYS 5 HB2 LYS 5 8.902 10.988 -1.880 39 HB3 LYS 5 HB3 LYS 5 10.575 11.316 -1.455 40 HG2 LYS 5 HG2 LYS 5 11.099 9.167 -1.565 41 HG3 LYS 5 HG3 LYS 5 9.770 8.727 -0.488 42 HD2 LYS 5 HD2 LYS 5 8.356 8.246 -2.210 43 HD3 LYS 5 HD3 LYS 5 9.081 9.445 -3.284 44 HE2 LYS 5 HE2 LYS 5 11.106 7.604 -2.872 45 HE3 LYS 5 HE3 LYS 5 9.654 6.612 -2.993 46 HZ1 LYS 5 HZ1 LYS 5 9.152 7.600 -5.104 47 HZ2 LYS 5 HZ2 LYS 5 10.736 7.013 -5.149 48 HZ3 LYS 5 HZ3 LYS 5 10.454 8.672 -4.977 49 HA PRO 6 HA PRO 6 8.932 15.131 1.296 50 HB2 PRO 6 HB2 PRO 6 11.183 16.390 0.450 51 HB3 PRO 6 HB3 PRO 6 11.083 15.539 1.995 52 HG2 PRO 6 HG2 PRO 6 12.243 14.614 -0.605 53 HG3 PRO 6 HG3 PRO 6 12.887 14.427 1.037 54 HD2 PRO 6 HD2 PRO 6 11.594 12.430 -0.256 55 HD3 PRO 6 HD3 PRO 6 11.518 12.633 1.505 56 H GLN 7 H GLN 7 9.478 17.331 -0.101 57 HA GLN 7 HA GLN 7 8.502 16.751 -2.820 58 HB2 GLN 7 HB2 GLN 7 7.355 18.959 -2.708 59 HB3 GLN 7 HB3 GLN 7 6.742 17.787 -1.549 60 HG2 GLN 7 HG2 GLN 7 8.213 18.860 0.171 61 HG3 GLN 7 HG3 GLN 7 8.553 20.123 -1.010 62 HE21 GLN 7 HE21 GLN 7 5.833 18.447 0.521 63 HE22 GLN 7 HE22 GLN 7 4.817 19.841 0.641 64 H VAL 8 H VAL 8 11.111 17.807 -1.130 65 HA VAL 8 HA VAL 8 12.214 19.128 -3.480 66 HB VAL 8 HB VAL 8 13.167 20.975 -2.111 67 HG11 VAL 8 HG11 VAL 8 10.217 21.199 -1.814 68 HG12 VAL 8 HG12 VAL 8 11.377 22.349 -2.481 69 HG13 VAL 8 HG13 VAL 8 10.880 20.946 -3.427 70 HG21 VAL 8 HG21 VAL 8 11.328 19.836 -0.018 71 HG22 VAL 8 HG22 VAL 8 13.070 20.088 0.092 72 HG23 VAL 8 HG23 VAL 8 11.979 21.473 0.051 73 H SER 9 H SER 9 14.624 19.819 -2.805 74 HA SER 9 HA SER 9 15.791 17.442 -1.511 75 HB2 SER 9 HB2 SER 9 17.515 17.418 -3.066 76 HB3 SER 9 HB3 SER 9 16.163 17.965 -4.057 77 HG SER 9 HG SER 9 17.263 19.704 -4.419 78 H GLY 10 H GLY 10 17.076 17.726 0.205 79 HA2 GLY 10 HA2 GLY 10 18.639 20.085 0.619 80 HA3 GLY 10 HA3 GLY 10 17.214 20.065 1.648 81 H VAL 11 H VAL 11 17.742 19.462 3.633 82 HA VAL 11 HA VAL 11 19.328 17.030 3.990 83 HB VAL 11 HB VAL 11 19.919 19.576 5.506 84 HG11 VAL 11 HG11 VAL 11 21.207 16.849 5.560 85 HG12 VAL 11 HG12 VAL 11 21.846 18.283 6.368 86 HG13 VAL 11 HG13 VAL 11 20.289 17.612 6.857 87 HG21 VAL 11 HG21 VAL 11 20.900 20.034 3.485 88 HG22 VAL 11 HG22 VAL 11 22.203 19.148 4.276 89 HG23 VAL 11 HG23 VAL 11 21.168 18.333 3.104 90 H ILE 12 H ILE 12 18.593 15.754 5.590 91 HA ILE 12 HA ILE 12 16.096 16.105 6.731 92 HB ILE 12 HB ILE 12 18.376 14.443 7.811 93 HG12 ILE 12 HG12 ILE 12 17.811 13.885 5.495 94 HG13 ILE 12 HG13 ILE 12 17.303 12.597 6.583 95 HG21 ILE 12 HG21 ILE 12 16.667 14.770 9.494 96 HG22 ILE 12 HG22 ILE 12 15.414 14.298 8.349 97 HG23 ILE 12 HG23 ILE 12 16.604 13.115 8.889 98 HD11 ILE 12 HD11 ILE 12 15.284 12.712 5.701 99 HD12 ILE 12 HD12 ILE 12 15.121 14.349 6.337 100 HD13 ILE 12 HD13 ILE 12 15.759 14.092 4.713 101 H VAL 13 H VAL 13 15.316 17.073 8.512 102 HA VAL 13 HA VAL 13 17.231 18.544 10.193 103 HB VAL 13 HB VAL 13 14.284 19.092 10.177 104 HG11 VAL 13 HG11 VAL 13 14.828 20.916 11.353 105 HG12 VAL 13 HG12 VAL 13 16.384 20.123 11.605 106 HG13 VAL 13 HG13 VAL 13 16.192 21.298 10.302 107 HG21 VAL 13 HG21 VAL 13 14.834 19.131 7.845 108 HG22 VAL 13 HG22 VAL 13 14.707 20.798 8.406 109 HG23 VAL 13 HG23 VAL 13 16.294 20.071 8.154 110 H ASN 14 H ASN 14 14.537 16.299 10.259 111 HA ASN 14 HA ASN 14 15.299 15.162 12.713 112 HB2 ASN 14 HB2 ASN 14 14.236 17.487 13.333 113 HB3 ASN 14 HB3 ASN 14 12.717 16.638 13.064 114 HD21 ASN 14 HD21 ASN 14 12.051 15.096 14.498 115 HD22 ASN 14 HD22 ASN 14 12.834 14.808 16.011 116 H LYS 15 H LYS 15 13.384 13.778 13.624 117 HA LYS 15 HA LYS 15 11.677 12.850 11.422 118 HB2 LYS 15 HB2 LYS 15 13.445 11.125 13.162 119 HB3 LYS 15 HB3 LYS 15 12.161 10.492 12.141 120 HG2 LYS 15 HG2 LYS 15 13.318 10.855 10.215 121 HG3 LYS 15 HG3 LYS 15 14.202 12.233 10.876 122 HD2 LYS 15 HD2 LYS 15 15.769 10.463 10.597 123 HD3 LYS 15 HD3 LYS 15 15.451 10.604 12.327 124 HE2 LYS 15 HE2 LYS 15 13.971 8.711 12.262 125 HE3 LYS 15 HE3 LYS 15 14.082 8.632 10.504 126 HZ1 LYS 15 HZ1 LYS 15 15.485 6.971 11.528 127 HZ2 LYS 15 HZ2 LYS 15 16.307 8.155 12.411 128 HZ3 LYS 15 HZ3 LYS 15 16.441 8.114 10.726 129 H LEU 16 H LEU 16 9.796 13.599 12.304 130 HA LEU 16 HA LEU 16 9.154 13.026 15.078 131 HB2 LEU 16 HB2 LEU 16 7.181 14.175 13.168 132 HB3 LEU 16 HB3 LEU 16 7.424 14.523 14.878 133 HG LEU 16 HG LEU 16 9.225 15.455 12.643 134 HD11 LEU 16 HD11 LEU 16 7.805 17.476 14.162 135 HD12 LEU 16 HD12 LEU 16 6.713 16.400 13.291 136 HD13 LEU 16 HD13 LEU 16 7.969 17.278 12.417 137 HD21 LEU 16 HD21 LEU 16 10.599 16.347 14.189 138 HD22 LEU 16 HD22 LEU 16 9.930 15.081 15.219 139 HD23 LEU 16 HD23 LEU 16 9.281 16.720 15.302 140 H PHE 17 H PHE 17 9.497 10.665 13.862 141 HA PHE 17 HA PHE 17 6.804 9.556 13.900 142 HB2 PHE 17 HB2 PHE 17 6.793 8.669 11.798 143 HB3 PHE 17 HB3 PHE 17 7.820 10.062 11.473 144 HD1 PHE 17 HD1 PHE 17 10.367 9.690 11.706 145 HD2 PHE 17 HD2 PHE 17 7.532 6.543 11.281 146 HE1 PHE 17 HE1 PHE 17 12.154 8.189 10.926 147 HE2 PHE 17 HE2 PHE 17 9.315 5.038 10.502 148 HZ PHE 17 HZ PHE 17 11.630 5.860 10.324 149 H LYS 18 H LYS 18 6.930 7.084 13.839 150 HA LYS 18 HA LYS 18 9.359 6.151 15.217 151 HB2 LYS 18 HB2 LYS 18 6.510 5.445 15.946 152 HB3 LYS 18 HB3 LYS 18 7.955 4.788 16.702 153 HG2 LYS 18 HG2 LYS 18 7.475 6.399 18.215 154 HG3 LYS 18 HG3 LYS 18 8.448 7.366 17.104 155 HD2 LYS 18 HD2 LYS 18 6.666 8.751 17.174 156 HD3 LYS 18 HD3 LYS 18 6.013 7.635 15.973 157 HE2 LYS 18 HE2 LYS 18 4.269 7.539 17.398 158 HE3 LYS 18 HE3 LYS 18 5.287 6.373 18.241 159 HZ1 LYS 18 HZ1 LYS 18 6.157 8.634 19.319 160 HZ2 LYS 18 HZ2 LYS 18 4.880 7.735 19.968 161 HZ3 LYS 18 HZ3 LYS 18 4.558 9.082 18.996 162 H ALA 19 H ALA 19 9.753 3.857 15.064 163 HA ALA 19 HA ALA 19 8.964 2.815 12.471 164 HB1 ALA 19 HB1 ALA 19 10.909 1.711 12.493 165 HB2 ALA 19 HB2 ALA 19 11.308 2.723 13.880 166 HB3 ALA 19 HB3 ALA 19 10.652 1.104 14.129 167 H GLY 20 H GLY 20 7.055 1.806 12.380 168 HA2 GLY 20 HA2 GLY 20 5.881 -0.261 12.725 169 HA3 GLY 20 HA3 GLY 20 6.551 -0.325 14.348 170 H ASP 21 H ASP 21 5.493 2.772 13.483 171 HA ASP 21 HA ASP 21 3.089 2.412 15.134 172 HB2 ASP 21 HB2 ASP 21 5.105 4.502 14.915 173 HB3 ASP 21 HB3 ASP 21 3.471 5.145 14.784 174 H LYS 22 H LYS 22 1.464 4.367 14.523 175 HA LYS 22 HA LYS 22 0.850 3.950 11.675 176 HB2 LYS 22 HB2 LYS 22 -0.783 4.029 14.119 177 HB3 LYS 22 HB3 LYS 22 -1.453 4.942 12.773 178 HG2 LYS 22 HG2 LYS 22 -0.599 2.476 11.723 179 HG3 LYS 22 HG3 LYS 22 -1.461 2.124 13.222 180 HD2 LYS 22 HD2 LYS 22 -2.533 3.893 11.027 181 HD3 LYS 22 HD3 LYS 22 -2.911 2.176 11.192 182 HE2 LYS 22 HE2 LYS 22 -4.126 2.503 13.141 183 HE3 LYS 22 HE3 LYS 22 -3.341 4.042 13.491 184 HZ1 LYS 22 HZ1 LYS 22 -5.149 3.650 11.176 185 HZ2 LYS 22 HZ2 LYS 22 -4.585 5.111 11.815 186 HZ3 LYS 22 HZ3 LYS 22 -5.696 4.180 12.687 187 H VAL 23 H VAL 23 -0.002 5.710 10.452 188 HA VAL 23 HA VAL 23 0.773 8.352 11.507 189 HB VAL 23 HB VAL 23 1.319 9.053 9.259 190 HG11 VAL 23 HG11 VAL 23 2.617 6.384 9.786 191 HG12 VAL 23 HG12 VAL 23 3.298 7.743 8.889 192 HG13 VAL 23 HG13 VAL 23 3.031 7.876 10.628 193 HG21 VAL 23 HG21 VAL 23 1.415 6.989 7.571 194 HG22 VAL 23 HG22 VAL 23 0.035 6.480 8.545 195 HG23 VAL 23 HG23 VAL 23 0.003 8.035 7.713 196 H LYS 24 H LYS 24 -0.311 10.111 9.955 197 HA LYS 24 HA LYS 24 -3.132 9.406 9.547 198 HB2 LYS 24 HB2 LYS 24 -2.013 11.572 11.283 199 HB3 LYS 24 HB3 LYS 24 -3.550 11.831 10.469 200 HG2 LYS 24 HG2 LYS 24 -3.747 9.301 11.633 201 HG3 LYS 24 HG3 LYS 24 -2.967 10.322 12.843 202 HD2 LYS 24 HD2 LYS 24 -5.347 10.445 13.153 203 HD3 LYS 24 HD3 LYS 24 -4.782 11.992 12.518 204 HE2 LYS 24 HE2 LYS 24 -5.394 11.083 10.218 205 HE3 LYS 24 HE3 LYS 24 -6.249 9.801 11.073 206 HZ1 LYS 24 HZ1 LYS 24 -6.861 12.671 10.939 207 HZ2 LYS 24 HZ2 LYS 24 -7.335 11.794 12.306 208 HZ3 LYS 24 HZ3 LYS 24 -7.897 11.344 10.775 209 H LYS 25 H LYS 25 -4.291 11.296 8.406 210 HA LYS 25 HA LYS 25 -2.860 11.829 5.987 211 HB2 LYS 25 HB2 LYS 25 -5.613 12.427 7.005 212 HB3 LYS 25 HB3 LYS 25 -5.027 13.247 5.564 213 HG2 LYS 25 HG2 LYS 25 -4.688 11.135 4.448 214 HG3 LYS 25 HG3 LYS 25 -5.144 10.259 5.911 215 HD2 LYS 25 HD2 LYS 25 -7.390 11.008 5.766 216 HD3 LYS 25 HD3 LYS 25 -6.985 12.201 4.531 217 HE2 LYS 25 HE2 LYS 25 -7.231 10.711 2.893 218 HE3 LYS 25 HE3 LYS 25 -6.225 9.528 3.725 219 HZ1 LYS 25 HZ1 LYS 25 -8.657 8.945 3.280 220 HZ2 LYS 25 HZ2 LYS 25 -9.017 9.995 4.556 221 HZ3 LYS 25 HZ3 LYS 25 -8.045 8.638 4.827 222 H GLY 26 H GLY 26 -1.134 13.177 6.427 223 HA2 GLY 26 HA2 GLY 26 -0.450 15.456 6.135 224 HA3 GLY 26 HA3 GLY 26 -1.883 15.961 7.018 225 H GLN 27 H GLN 27 -0.277 13.291 8.384 226 HA GLN 27 HA GLN 27 0.515 14.891 10.660 227 HB2 GLN 27 HB2 GLN 27 -0.471 12.374 10.444 228 HB3 GLN 27 HB3 GLN 27 1.248 12.031 10.583 229 HG2 GLN 27 HG2 GLN 27 0.868 13.862 12.571 230 HG3 GLN 27 HG3 GLN 27 -0.651 12.968 12.589 231 HE21 GLN 27 HE21 GLN 27 -0.699 10.953 13.407 232 HE22 GLN 27 HE22 GLN 27 0.675 10.127 14.053 233 H THR 28 H THR 28 2.501 15.594 11.099 234 HA THR 28 HA THR 28 4.589 15.432 9.225 235 HB THR 28 HB THR 28 5.146 16.028 12.109 236 HG1 THR 28 HG1 THR 28 4.337 18.193 11.611 237 HG21 THR 28 HG21 THR 28 7.067 16.348 10.867 238 HG22 THR 28 HG22 THR 28 6.358 17.963 10.825 239 HG23 THR 28 HG23 THR 28 6.182 16.885 9.441 240 H LEU 29 H LEU 29 6.380 14.168 9.065 241 HA LEU 29 HA LEU 29 6.825 12.116 11.114 242 HB2 LEU 29 HB2 LEU 29 6.846 11.547 8.156 243 HB3 LEU 29 HB3 LEU 29 7.087 10.390 9.464 244 HG LEU 29 HG LEU 29 4.499 11.874 9.232 245 HD11 LEU 29 HD11 LEU 29 5.553 9.874 7.368 246 HD12 LEU 29 HD12 LEU 29 4.230 11.024 7.176 247 HD13 LEU 29 HD13 LEU 29 3.960 9.503 8.028 248 HD21 LEU 29 HD21 LEU 29 3.623 10.022 10.424 249 HD22 LEU 29 HD22 LEU 29 5.124 10.474 11.229 250 HD23 LEU 29 HD23 LEU 29 5.085 9.072 10.160 251 H PHE 30 H PHE 30 8.054 13.876 8.316 252 HA PHE 30 HA PHE 30 10.749 13.669 9.457 253 HB2 PHE 30 HB2 PHE 30 10.096 13.292 6.527 254 HB3 PHE 30 HB3 PHE 30 11.713 13.329 7.223 255 HD1 PHE 30 HD2 PHE 30 8.591 11.404 6.982 256 HD2 PHE 30 HD1 PHE 30 12.628 11.432 8.330 257 HE1 PHE 30 HE2 PHE 30 8.480 8.974 7.354 258 HE2 PHE 30 HE1 PHE 30 12.524 9.002 8.702 259 HZ PHE 30 HZ PHE 30 10.448 7.770 8.216 260 H ILE 31 H ILE 31 12.259 15.287 8.427 261 HA ILE 31 HA ILE 31 10.905 17.659 7.389 262 HB ILE 31 HB ILE 31 12.785 17.861 9.737 263 HG12 ILE 31 HG12 ILE 31 10.480 18.646 10.808 264 HG13 ILE 31 HG13 ILE 31 9.822 17.538 9.610 265 HG21 ILE 31 HG21 ILE 31 10.916 19.897 8.535 266 HG22 ILE 31 HG22 ILE 31 12.081 20.160 9.833 267 HG23 ILE 31 HG23 ILE 31 12.645 19.799 8.201 268 HD11 ILE 31 HD11 ILE 31 10.572 16.828 12.098 269 HD12 ILE 31 HD12 ILE 31 10.524 15.726 10.722 270 HD13 ILE 31 HD13 ILE 31 12.047 16.476 11.200 271 H ILE 32 H ILE 32 12.165 18.934 6.085 272 HA ILE 32 HA ILE 32 15.017 18.306 5.861 273 HB ILE 32 HB ILE 32 13.017 18.145 3.620 274 HG12 ILE 32 HG12 ILE 32 15.265 16.246 3.863 275 HG13 ILE 32 HG13 ILE 32 14.104 16.202 5.185 276 HG21 ILE 32 HG21 ILE 32 15.305 17.817 2.296 277 HG22 ILE 32 HG22 ILE 32 14.527 19.390 2.470 278 HG23 ILE 32 HG23 ILE 32 15.866 18.947 3.529 279 HD11 ILE 32 HD11 ILE 32 12.895 16.236 2.524 280 HD12 ILE 32 HD12 ILE 32 13.882 14.815 2.868 281 HD13 ILE 32 HD13 ILE 32 12.535 15.232 3.928 282 H GLU 33 H GLU 33 16.274 20.042 5.473 283 HA GLU 33 HA GLU 33 14.917 22.621 5.155 284 HB2 GLU 33 HB2 GLU 33 16.280 22.780 7.025 285 HB3 GLU 33 HB3 GLU 33 17.538 21.773 6.321 286 HG2 GLU 33 HG2 GLU 33 16.963 24.414 5.083 287 HG3 GLU 33 HG3 GLU 33 17.857 24.359 6.601 288 H GLN 34 H GLN 34 15.056 23.749 3.328 289 HA GLN 34 HA GLN 34 17.312 23.341 1.524 290 HB2 GLN 34 HB2 GLN 34 15.953 22.917 -0.403 291 HB3 GLN 34 HB3 GLN 34 15.504 21.754 0.837 292 HG2 GLN 34 HG2 GLN 34 13.993 24.286 0.239 293 HG3 GLN 34 HG3 GLN 34 13.580 22.692 -0.391 294 HE21 GLN 34 HE21 GLN 34 13.919 21.076 1.738 295 HE22 GLN 34 HE22 GLN 34 12.826 21.504 3.007 296 H ASP 35 H ASP 35 16.409 24.800 -0.627 297 HA ASP 35 HA ASP 35 15.640 27.406 0.485 298 HB2 ASP 35 HB2 ASP 35 18.017 27.568 0.335 299 HB3 ASP 35 HB3 ASP 35 18.031 26.827 -1.263 300 H GLN 36 H GLN 36 13.703 27.675 -0.454 301 HA GLN 36 HA GLN 36 13.611 27.940 -3.337 302 HB2 GLN 36 HB2 GLN 36 11.905 26.375 -3.760 303 HB3 GLN 36 HB3 GLN 36 13.061 25.516 -2.751 304 HG2 GLN 36 HG2 GLN 36 11.654 25.916 -0.795 305 HG3 GLN 36 HG3 GLN 36 10.493 26.770 -1.810 306 HE21 GLN 36 HE21 GLN 36 10.291 24.301 -0.167 307 HE22 GLN 36 HE22 GLN 36 9.684 23.094 -1.244 308 H ALA 37 H ALA 37 13.209 29.447 -0.705 309 HA ALA 37 HA ALA 37 10.479 30.211 -0.578 310 HB1 ALA 37 HB1 ALA 37 12.409 32.210 0.334 311 HB2 ALA 37 HB2 ALA 37 11.105 31.406 1.209 312 HB3 ALA 37 HB3 ALA 37 12.662 30.602 1.012 313 H SER 38 H SER 38 13.310 32.056 -1.736 314 HA SER 38 HA SER 38 12.174 32.903 -4.138 315 HB2 SER 38 HB2 SER 38 11.061 34.249 -1.908 316 HB3 SER 38 HB3 SER 38 12.126 35.398 -2.720 317 HG SER 38 HG SER 38 10.869 35.371 -4.443 318 H LYS 39 H LYS 39 13.342 34.910 -5.015 319 HA LYS 39 HA LYS 39 16.157 34.682 -4.234 320 HB2 LYS 39 HB2 LYS 39 14.730 35.425 -6.749 321 HB3 LYS 39 HB3 LYS 39 16.341 36.078 -6.476 322 HG2 LYS 39 HG2 LYS 39 16.336 34.005 -7.813 323 HG3 LYS 39 HG3 LYS 39 17.272 33.871 -6.321 324 HD2 LYS 39 HD2 LYS 39 15.961 31.867 -6.622 325 HD3 LYS 39 HD3 LYS 39 15.325 32.777 -5.249 326 HE2 LYS 39 HE2 LYS 39 13.322 32.693 -6.209 327 HE3 LYS 39 HE3 LYS 39 13.947 33.733 -7.487 328 HZ1 LYS 39 HZ1 LYS 39 13.163 31.031 -7.641 329 HZ2 LYS 39 HZ2 LYS 39 14.799 31.152 -8.051 330 HZ3 LYS 39 HZ3 LYS 39 13.647 32.065 -8.890 331 H ASP 40 H ASP 40 13.663 36.559 -3.404 332 HA ASP 40 HA ASP 40 15.404 38.793 -2.736 333 HB2 ASP 40 HB2 ASP 40 13.398 40.330 -3.457 334 HB3 ASP 40 HB3 ASP 40 14.591 39.812 -4.644 335 H PHE 41 H PHE 41 13.979 36.598 -1.341 336 HA PHE 41 HA PHE 41 12.053 38.101 0.278 337 HB2 PHE 41 HB2 PHE 41 12.325 35.323 -0.515 338 HB3 PHE 41 HB3 PHE 41 12.151 35.477 1.231 339 HD1 PHE 41 HD1 PHE 41 10.664 37.450 -1.556 340 HD2 PHE 41 HD2 PHE 41 9.993 34.860 1.754 341 HE1 PHE 41 HE1 PHE 41 8.236 37.736 -1.829 342 HE2 PHE 41 HE2 PHE 41 7.564 35.140 1.486 343 HZ PHE 41 HZ PHE 41 6.682 36.580 -0.307 344 H ASN 42 H ASN 42 14.315 35.502 1.145 345 HA ASN 42 HA ASN 42 14.769 36.480 3.741 346 HB2 ASN 42 HB2 ASN 42 16.351 34.742 3.976 347 HB3 ASN 42 HB3 ASN 42 15.156 34.113 2.845 348 HD21 ASN 42 HD21 ASN 42 18.419 34.952 3.347 349 H ARG 43 H ARG 43 16.367 37.716 4.630 350 HA ARG 43 HA ARG 43 17.968 39.277 2.738 351 HB2 ARG 43 HB2 ARG 43 16.423 40.055 4.879 352 HB3 ARG 43 HB3 ARG 43 18.047 40.075 5.556 353 HG2 ARG 43 HG2 ARG 43 17.997 41.322 2.957 354 HG3 ARG 43 HG3 ARG 43 16.827 42.065 4.049 355 HD2 ARG 43 HD2 ARG 43 18.532 42.495 5.679 356 HD3 ARG 43 HD3 ARG 43 19.714 41.572 4.754 357 HE ARG 43 HE ARG 43 18.829 43.584 3.083 358 HH11 ARG 43 HH11 ARG 43 20.436 43.348 6.163 359 HH12 ARG 43 HH12 ARG 43 21.301 44.837 5.972 360 HH21 ARG 43 HH21 ARG 43 19.963 45.545 2.821 361 HH22 ARG 43 HH22 ARG 43 21.030 46.086 4.072 362 H SER 44 H SER 44 18.331 36.573 4.535 363 HA SER 44 HA SER 44 20.117 35.369 5.269 364 HB2 SER 44 HB2 SER 44 21.243 35.645 3.239 365 HB3 SER 44 HB3 SER 44 21.454 37.380 3.480 366 HG SER 44 HG SER 44 23.405 36.293 3.837 367 H LYS 45 H LYS 45 21.990 35.420 6.741 368 HA LYS 45 HA LYS 45 21.679 37.595 8.669 369 HB2 LYS 45 HB2 LYS 45 23.380 35.188 9.173 370 HB3 LYS 45 HB3 LYS 45 22.431 36.139 10.308 371 HG2 LYS 45 HG2 LYS 45 21.045 34.381 10.231 372 HG3 LYS 45 HG3 LYS 45 20.469 35.142 8.746 373 HD2 LYS 45 HD2 LYS 45 22.595 33.708 7.832 374 HD3 LYS 45 HD3 LYS 45 22.004 32.669 9.132 375 HE2 LYS 45 HE2 LYS 45 20.156 32.106 7.995 376 HE3 LYS 45 HE3 LYS 45 19.887 33.755 7.433 377 HZ1 LYS 45 HZ1 LYS 45 20.413 32.828 5.464 378 HZ2 LYS 45 HZ2 LYS 45 21.306 31.566 6.149 379 HZ3 LYS 45 HZ3 LYS 45 22.002 33.099 5.978 380 H ALA 46 H ALA 46 23.587 36.976 6.089 381 HA ALA 46 HA ALA 46 25.450 38.081 5.331 382 HB1 ALA 46 HB1 ALA 46 26.449 39.215 7.793 383 HB2 ALA 46 HB2 ALA 46 25.927 40.020 6.311 384 HB3 ALA 46 HB3 ALA 46 24.744 39.600 7.551 385 H LEU 47 H LEU 47 26.639 36.277 4.907 386 HA LEU 47 HA LEU 47 28.486 35.404 7.029 387 HB2 LEU 47 HB2 LEU 47 27.608 33.543 4.865 388 HB3 LEU 47 HB3 LEU 47 28.249 33.174 6.465 389 HG LEU 47 HG LEU 47 25.489 34.265 5.921 390 HD11 LEU 47 HD11 LEU 47 25.603 31.610 7.028 391 HD12 LEU 47 HD12 LEU 47 26.447 31.682 5.482 392 HD13 LEU 47 HD13 LEU 47 24.762 32.194 5.592 393 HD21 LEU 47 HD21 LEU 47 26.923 34.462 8.217 394 HD22 LEU 47 HD22 LEU 47 26.112 32.914 8.452 395 HD23 LEU 47 HD23 LEU 47 25.163 34.370 8.141 396 H PHE 48 H PHE 48 30.545 35.732 6.539 397 HA PHE 48 HA PHE 48 31.577 35.233 3.902 398 HB2 PHE 48 HB2 PHE 48 32.438 37.473 3.486 399 HB3 PHE 48 HB3 PHE 48 30.685 37.524 3.644 400 HD1 PHE 48 HD2 PHE 48 29.786 38.089 6.025 401 HD2 PHE 48 HD1 PHE 48 33.725 38.967 4.674 402 HE1 PHE 48 HE2 PHE 48 29.993 39.817 7.764 403 HE2 PHE 48 HE1 PHE 48 33.939 40.697 6.411 404 HZ PHE 48 HZ PHE 48 32.071 41.125 7.958 405 H SER 49 H SER 49 32.113 34.051 6.349 406 HA SER 49 HA SER 49 34.470 35.187 7.532 407 HB2 SER 49 HB2 SER 49 32.822 33.749 8.771 408 HB3 SER 49 HB3 SER 49 33.411 32.370 7.844 409 HG SER 49 HG SER 49 35.010 32.250 9.186 410 H GLN 50 H GLN 50 35.210 35.214 5.054 411 HA GLN 50 HA GLN 50 36.944 34.628 3.693 412 HB2 GLN 50 HB2 GLN 50 37.958 33.942 5.987 413 HB3 GLN 50 HB3 GLN 50 37.607 32.300 5.465 414 HG2 GLN 50 HG2 GLN 50 39.483 32.263 4.306 415 HG3 GLN 50 HG3 GLN 50 38.916 33.616 3.331 416 HE21 GLN 50 HE21 GLN 50 41.605 32.918 4.311 417 HE22 GLN 50 HE22 GLN 50 42.156 34.307 5.178 418 H SER 51 H SER 51 35.897 31.494 5.029 419 HA SER 51 HA SER 51 35.854 30.256 2.466 420 HB2 SER 51 HB2 SER 51 36.288 28.940 4.472 421 HB3 SER 51 HB3 SER 51 34.696 29.345 5.113 422 HG SER 51 HG SER 51 34.934 27.245 4.007 423 H ALA 52 H ALA 52 33.380 31.600 4.593 424 HA ALA 52 HA ALA 52 31.084 30.722 3.328 425 HB1 ALA 52 HB1 ALA 52 31.585 33.386 4.648 426 HB2 ALA 52 HB2 ALA 52 29.996 32.737 4.244 427 HB3 ALA 52 HB3 ALA 52 31.008 31.913 5.428 428 H ILE 53 H ILE 53 33.164 33.460 2.507 429 HA ILE 53 HA ILE 53 33.106 34.945 0.759 430 HB ILE 53 HB ILE 53 33.193 33.914 -1.418 431 HG12 ILE 53 HG12 ILE 53 32.166 31.382 -0.122 432 HG13 ILE 53 HG13 ILE 53 31.173 32.469 -1.086 433 HG21 ILE 53 HG21 ILE 53 34.393 32.007 0.583 434 HG22 ILE 53 HG22 ILE 53 34.947 32.318 -1.062 435 HG23 ILE 53 HG23 ILE 53 35.079 33.578 0.165 436 HD11 ILE 53 HD11 ILE 53 33.666 31.447 -2.310 437 HD12 ILE 53 HD12 ILE 53 32.322 30.324 -2.111 438 HD13 ILE 53 HD13 ILE 53 32.102 31.804 -3.043 439 H SER 54 H SER 54 31.703 34.955 -1.643 440 HA SER 54 HA SER 54 29.033 35.678 -0.682 441 HB2 SER 54 HB2 SER 54 30.874 36.855 -2.532 442 HB3 SER 54 HB3 SER 54 29.387 36.456 -3.393 443 HG SER 54 HG SER 54 29.829 38.487 -1.751 444 H GLN 55 H GLN 55 27.488 35.582 -2.860 445 HA GLN 55 HA GLN 55 26.967 32.786 -3.144 446 HB2 GLN 55 HB2 GLN 55 24.965 33.399 -4.162 447 HB3 GLN 55 HB3 GLN 55 25.282 34.747 -3.077 448 HG2 GLN 55 HG2 GLN 55 25.684 34.646 -6.052 449 HG3 GLN 55 HG3 GLN 55 24.552 35.646 -5.143 450 HE21 GLN 55 HE21 GLN 55 27.083 35.981 -6.956 451 HE22 GLN 55 HE22 GLN 55 27.949 37.237 -6.146 452 H LYS 56 H LYS 56 29.060 34.847 -4.710 453 HA LYS 56 HA LYS 56 28.929 34.372 -7.386 454 HB2 LYS 56 HB2 LYS 56 31.584 34.181 -7.098 455 HB3 LYS 56 HB3 LYS 56 30.718 35.703 -6.938 456 HG2 LYS 56 HG2 LYS 56 31.065 35.829 -4.707 457 HG3 LYS 56 HG3 LYS 56 31.006 34.078 -4.487 458 HD2 LYS 56 HD2 LYS 56 33.229 33.805 -4.973 459 HD3 LYS 56 HD3 LYS 56 33.290 35.235 -6.005 460 HE2 LYS 56 HE2 LYS 56 33.036 36.626 -3.939 461 HE3 LYS 56 HE3 LYS 56 33.212 35.149 -2.994 462 HZ1 LYS 56 HZ1 LYS 56 35.359 35.841 -3.043 463 HZ2 LYS 56 HZ2 LYS 56 35.214 36.614 -4.541 464 HZ3 LYS 56 HZ3 LYS 56 35.361 34.930 -4.468 465 H GLU 57 H GLU 57 31.084 32.404 -5.340 466 HA GLU 57 HA GLU 57 30.468 30.108 -7.081 467 HB2 GLU 57 HB2 GLU 57 33.000 30.952 -5.704 468 HB3 GLU 57 HB3 GLU 57 32.744 29.273 -6.155 469 HG2 GLU 57 HG2 GLU 57 33.226 29.670 -8.282 470 HG3 GLU 57 HG3 GLU 57 32.161 31.073 -8.342 471 H TYR 58 H TYR 58 28.816 29.175 -5.944 472 HA TYR 58 HA TYR 58 29.462 27.506 -3.778 473 HB2 TYR 58 HB2 TYR 58 28.815 30.172 -3.018 474 HB3 TYR 58 HB3 TYR 58 27.475 29.137 -2.534 475 HD1 TYR 58 HD1 TYR 58 28.823 26.644 -1.809 476 HD2 TYR 58 HD2 TYR 58 29.973 30.673 -1.068 477 HE1 TYR 58 HE1 TYR 58 30.097 25.911 0.163 478 HE2 TYR 58 HE2 TYR 58 31.251 29.952 0.905 479 HH TYR 58 HH TYR 58 31.847 28.248 2.191 480 H ASP 59 H ASP 59 27.098 27.028 -2.581 481 HA ASP 59 HA ASP 59 25.314 26.398 -4.840 482 HB2 ASP 59 HB2 ASP 59 25.273 24.873 -2.258 483 HB3 ASP 59 HB3 ASP 59 24.790 24.346 -3.868 484 H SER 60 H SER 60 23.015 25.769 -3.791 485 HA SER 60 HA SER 60 22.144 28.232 -2.482 486 HB2 SER 60 HB2 SER 60 21.033 26.521 -4.483 487 HB3 SER 60 HB3 SER 60 19.934 26.546 -3.104 488 HG SER 60 HG SER 60 20.292 28.944 -3.242 489 H SER 61 H SER 61 22.690 24.925 -1.807 490 HA SER 61 HA SER 61 20.833 24.348 0.165 491 HB2 SER 61 HB2 SER 61 23.031 23.079 1.130 492 HB3 SER 61 HB3 SER 61 22.063 22.475 -0.214 493 HG SER 61 HG SER 61 24.164 22.501 -0.898 494 H LEU 62 H LEU 62 23.675 26.368 0.300 495 HA LEU 62 HA LEU 62 23.619 26.606 3.180 496 HB2 LEU 62 HB2 LEU 62 25.497 28.028 2.954 497 HB3 LEU 62 HB3 LEU 62 25.706 26.710 1.803 498 HG LEU 62 HG LEU 62 24.424 28.833 0.435 499 HD11 LEU 62 HD11 LEU 62 26.278 30.532 0.675 500 HD12 LEU 62 HD12 LEU 62 26.733 29.693 2.157 501 HD13 LEU 62 HD13 LEU 62 25.138 30.431 2.017 502 HD21 LEU 62 HD21 LEU 62 26.271 28.655 -1.022 503 HD22 LEU 62 HD22 LEU 62 26.009 27.034 -0.379 504 HD23 LEU 62 HD23 LEU 62 27.318 28.034 0.254 505 H ALA 63 H ALA 63 22.277 28.248 0.449 506 HA ALA 63 HA ALA 63 21.792 30.758 1.689 507 HB1 ALA 63 HB1 ALA 63 20.056 29.713 -0.504 508 HB2 ALA 63 HB2 ALA 63 20.673 31.344 -0.238 509 HB3 ALA 63 HB3 ALA 63 21.751 30.078 -0.829 510 H THR 64 H THR 64 20.169 31.433 2.962 511 HA THR 64 HA THR 64 18.404 31.337 4.400 512 HB THR 64 HB THR 64 16.322 30.771 3.510 513 HG1 THR 64 HG1 THR 64 16.169 29.224 1.737 514 HG21 THR 64 HG21 THR 64 17.583 31.009 0.846 515 HG22 THR 64 HG22 THR 64 17.976 32.271 2.014 516 HG23 THR 64 HG23 THR 64 16.295 31.962 1.580 517 H LEU 65 H LEU 65 16.691 29.621 5.347 518 HA LEU 65 HA LEU 65 17.950 27.016 5.715 519 HB2 LEU 65 HB2 LEU 65 17.068 28.031 8.265 520 HB3 LEU 65 HB3 LEU 65 18.614 27.315 7.812 521 HG LEU 65 HG LEU 65 19.146 29.669 6.863 522 HD11 LEU 65 HD11 LEU 65 17.760 31.360 7.270 523 HD12 LEU 65 HD12 LEU 65 17.551 30.883 8.955 524 HD13 LEU 65 HD13 LEU 65 16.554 30.148 7.700 525 HD21 LEU 65 HD21 LEU 65 20.424 29.956 8.689 526 HD22 LEU 65 HD22 LEU 65 19.783 28.380 9.160 527 HD23 LEU 65 HD23 LEU 65 19.052 29.856 9.793 528 H ASP 66 H ASP 66 15.458 28.151 4.524 529 HA ASP 66 HA ASP 66 13.274 27.421 6.203 530 HB2 ASP 66 HB2 ASP 66 13.649 28.494 3.530 531 HB3 ASP 66 HB3 ASP 66 12.368 27.285 3.567 532 H HIS 67 H HIS 67 12.310 25.507 6.503 533 HA HIS 67 HA HIS 67 13.193 23.250 4.825 534 HB2 HIS 67 HB2 HIS 67 12.361 22.033 7.104 535 HB3 HIS 67 HB3 HIS 67 14.031 22.493 6.788 536 HD1 HIS 67 HD1 HIS 67 11.062 23.396 8.857 537 HD2 HIS 67 HD2 HIS 67 14.970 24.684 8.275 538 HE1 HIS 67 HE1 HIS 67 11.540 24.970 10.759 539 H THR 68 H THR 68 11.543 21.317 5.246 540 HA THR 68 HA THR 68 8.800 22.363 5.102 541 HB THR 68 HB THR 68 10.071 20.461 3.127 542 HG1 THR 68 HG1 THR 68 9.159 22.169 1.689 543 HG21 THR 68 HG21 THR 68 8.000 19.494 3.275 544 HG22 THR 68 HG22 THR 68 7.642 20.773 2.114 545 HG23 THR 68 HG23 THR 68 7.223 20.982 3.815 546 H GLU 69 H GLU 69 7.321 21.179 6.169 547 HA GLU 69 HA GLU 69 8.232 18.935 7.729 548 HB2 GLU 69 HB2 GLU 69 5.511 20.236 7.517 549 HB3 GLU 69 HB3 GLU 69 5.933 18.976 8.668 550 HG2 GLU 69 HG2 GLU 69 7.438 20.391 9.813 551 HG3 GLU 69 HG3 GLU 69 7.382 21.601 8.534 552 H ILE 70 H ILE 70 8.420 17.016 6.770 553 HA ILE 70 HA ILE 70 6.869 16.235 4.506 554 HB ILE 70 HB ILE 70 8.750 14.691 6.284 555 HG12 ILE 70 HG12 ILE 70 9.913 14.680 3.886 556 HG13 ILE 70 HG13 ILE 70 8.947 16.138 3.685 557 HG21 ILE 70 HG21 ILE 70 8.604 13.085 4.197 558 HG22 ILE 70 HG22 ILE 70 7.482 12.940 5.549 559 HG23 ILE 70 HG23 ILE 70 6.985 13.774 4.076 560 HD11 ILE 70 HD11 ILE 70 11.195 16.647 4.459 561 HD12 ILE 70 HD12 ILE 70 9.987 17.106 5.660 562 HD13 ILE 70 HD13 ILE 70 10.940 15.640 5.884 563 H LYS 71 H LYS 71 4.711 16.121 4.931 564 HA LYS 71 HA LYS 71 3.774 14.595 7.231 565 HB2 LYS 71 HB2 LYS 71 1.541 15.389 6.584 566 HB3 LYS 71 HB3 LYS 71 2.676 16.722 6.755 567 HG2 LYS 71 HG2 LYS 71 2.961 16.285 4.144 568 HG3 LYS 71 HG3 LYS 71 1.315 15.682 4.345 569 HD2 LYS 71 HD2 LYS 71 1.178 17.999 3.778 570 HD3 LYS 71 HD3 LYS 71 0.752 17.838 5.484 571 HE2 LYS 71 HE2 LYS 71 3.606 18.273 4.990 572 HE3 LYS 71 HE3 LYS 71 2.574 19.605 4.471 573 HZ1 LYS 71 HZ1 LYS 71 3.329 18.846 7.098 574 HZ2 LYS 71 HZ2 LYS 71 1.645 18.863 6.955 575 HZ3 LYS 71 HZ3 LYS 71 2.540 20.248 6.577 576 H ALA 72 H ALA 72 2.397 12.794 7.059 577 HA ALA 72 HA ALA 72 3.039 10.997 4.959 578 HB1 ALA 72 HB1 ALA 72 0.801 9.972 6.270 579 HB2 ALA 72 HB2 ALA 72 2.494 9.604 6.600 580 HB3 ALA 72 HB3 ALA 72 1.681 10.887 7.496 581 HA PRO 73 HA PRO 73 -0.052 11.915 1.968 582 HB2 PRO 73 HB2 PRO 73 -0.302 9.479 0.796 583 HB3 PRO 73 HB3 PRO 73 1.104 10.522 0.553 584 HG2 PRO 73 HG2 PRO 73 0.779 8.176 2.385 585 HG3 PRO 73 HG3 PRO 73 2.154 8.605 1.350 586 HD2 PRO 73 HD2 PRO 73 2.123 9.104 4.011 587 HD3 PRO 73 HD3 PRO 73 2.964 10.155 2.852 588 H PHE 74 H PHE 74 -0.526 9.066 4.013 589 HA PHE 74 HA PHE 74 -3.234 9.785 4.560 590 HB2 PHE 74 HB2 PHE 74 -4.165 7.579 3.677 591 HB3 PHE 74 HB3 PHE 74 -3.787 8.809 2.476 592 HD1 PHE 74 HD2 PHE 74 -2.707 5.618 3.944 593 HD2 PHE 74 HD1 PHE 74 -2.085 8.472 0.849 594 HE1 PHE 74 HE2 PHE 74 -1.273 4.010 2.755 595 HE2 PHE 74 HE1 PHE 74 -0.651 6.869 -0.346 596 HZ PHE 74 HZ PHE 74 -0.242 4.635 0.608 597 H ASP 75 H ASP 75 -4.072 8.696 6.331 598 HA ASP 75 HA ASP 75 -2.345 7.754 8.251 599 HB2 ASP 75 HB2 ASP 75 -4.248 7.070 9.500 600 HB3 ASP 75 HB3 ASP 75 -4.762 8.460 8.547 601 H GLY 76 H GLY 76 -1.749 5.721 9.027 602 HA2 GLY 76 HA2 GLY 76 -2.513 3.227 8.387 603 HA3 GLY 76 HA3 GLY 76 -1.575 3.681 6.972 604 H THR 77 H THR 77 -0.685 1.552 8.265 605 HA THR 77 HA THR 77 1.080 2.039 10.420 606 HB THR 77 HB THR 77 1.337 -0.188 8.397 607 HG1 THR 77 HG1 THR 77 -0.269 -0.094 10.754 608 HG21 THR 77 HG21 THR 77 2.156 0.092 11.288 609 HG22 THR 77 HG22 THR 77 3.218 -0.065 9.889 610 HG23 THR 77 HG23 THR 77 2.205 -1.421 10.385 611 H ILE 78 H ILE 78 3.347 2.186 10.453 612 HA ILE 78 HA ILE 78 4.608 2.920 7.897 613 HB ILE 78 HB ILE 78 4.075 4.930 9.303 614 HG12 ILE 78 HG12 ILE 78 7.054 4.612 9.100 615 HG13 ILE 78 HG13 ILE 78 6.061 4.620 7.647 616 HG21 ILE 78 HG21 ILE 78 4.655 5.077 11.446 617 HG22 ILE 78 HG22 ILE 78 5.057 3.363 11.364 618 HG23 ILE 78 HG23 ILE 78 6.311 4.575 11.106 619 HD11 ILE 78 HD11 ILE 78 5.990 6.826 7.674 620 HD12 ILE 78 HD12 ILE 78 5.325 6.821 9.307 621 HD13 ILE 78 HD13 ILE 78 7.073 6.816 9.066 622 H GLY 79 H GLY 79 6.799 2.417 7.672 623 HA2 GLY 79 HA2 GLY 79 7.700 0.282 9.452 624 HA3 GLY 79 HA3 GLY 79 8.365 0.665 7.871 625 H ASP 80 H ASP 80 10.489 0.674 8.611 626 HA ASP 80 HA ASP 80 11.202 2.638 10.659 627 HB2 ASP 80 HB2 ASP 80 13.524 1.581 10.328 628 HB3 ASP 80 HB3 ASP 80 12.278 0.594 11.086 629 H ALA 81 H ALA 81 13.101 4.028 10.271 630 HA ALA 81 HA ALA 81 12.827 5.388 7.751 631 HB1 ALA 81 HB1 ALA 81 13.451 7.127 8.975 632 HB2 ALA 81 HB2 ALA 81 13.713 6.059 10.355 633 HB3 ALA 81 HB3 ALA 81 15.034 6.395 9.236 634 H LEU 82 H LEU 82 14.614 5.904 6.338 635 HA LEU 82 HA LEU 82 16.566 3.707 6.192 636 HB2 LEU 82 HB2 LEU 82 15.243 5.398 4.104 637 HB3 LEU 82 HB3 LEU 82 16.754 4.557 3.761 638 HG LEU 82 HG LEU 82 14.208 3.199 4.640 639 HD11 LEU 82 HD11 LEU 82 14.638 2.402 2.087 640 HD12 LEU 82 HD12 LEU 82 15.154 4.086 2.006 641 HD13 LEU 82 HD13 LEU 82 13.527 3.688 2.558 642 HD21 LEU 82 HD21 LEU 82 15.351 1.165 3.928 643 HD22 LEU 82 HD22 LEU 82 16.251 1.984 5.204 644 HD23 LEU 82 HD23 LEU 82 16.790 2.103 3.529 645 H VAL 83 H VAL 83 16.172 7.200 5.999 646 HA VAL 83 HA VAL 83 19.088 7.529 5.880 647 HB VAL 83 HB VAL 83 18.731 9.793 5.219 648 HG11 VAL 83 HG11 VAL 83 16.782 7.978 3.806 649 HG12 VAL 83 HG12 VAL 83 17.367 9.520 3.178 650 HG13 VAL 83 HG13 VAL 83 18.492 8.185 3.432 651 HG21 VAL 83 HG21 VAL 83 16.999 10.575 6.577 652 HG22 VAL 83 HG22 VAL 83 16.311 10.608 4.953 653 HG23 VAL 83 HG23 VAL 83 15.895 9.301 6.061 654 H ASN 84 H ASN 84 19.957 9.394 7.192 655 HA ASN 84 HA ASN 84 18.707 9.388 9.861 656 HB2 ASN 84 HB2 ASN 84 21.598 9.346 9.024 657 HB3 ASN 84 HB3 ASN 84 21.122 9.900 10.626 658 HD21 ASN 84 HD21 ASN 84 21.019 7.178 8.410 659 HD22 ASN 84 HD22 ASN 84 20.873 5.958 9.623 660 H ILE 85 H ILE 85 19.534 11.332 11.206 661 HA ILE 85 HA ILE 85 18.688 13.701 9.851 662 HB ILE 85 HB ILE 85 19.986 13.606 12.568 663 HG12 ILE 85 HG12 ILE 85 18.241 11.905 12.536 664 HG13 ILE 85 HG13 ILE 85 17.712 13.285 13.492 665 HG21 ILE 85 HG21 ILE 85 19.678 15.818 12.198 666 HG22 ILE 85 HG22 ILE 85 18.389 15.556 11.025 667 HG23 ILE 85 HG23 ILE 85 18.047 15.440 12.751 668 HD11 ILE 85 HD11 ILE 85 16.811 12.447 10.763 669 HD12 ILE 85 HD12 ILE 85 15.853 12.678 12.225 670 HD13 ILE 85 HD13 ILE 85 16.526 14.073 11.382 671 H GLY 86 H GLY 86 19.897 15.675 9.654 672 HA2 GLY 86 HA2 GLY 86 21.745 16.930 9.109 673 HA3 GLY 86 HA3 GLY 86 22.696 15.814 10.078 674 H ASP 87 H ASP 87 20.877 14.312 7.632 675 HA ASP 87 HA ASP 87 23.310 14.037 5.998 676 HB2 ASP 87 HB2 ASP 87 21.512 12.105 7.061 677 HB3 ASP 87 HB3 ASP 87 21.341 12.083 5.308 678 H TYR 88 H TYR 88 23.318 14.867 4.018 679 HA TYR 88 HA TYR 88 21.132 16.335 2.999 680 HB2 TYR 88 HB2 TYR 88 23.453 16.896 2.452 681 HB3 TYR 88 HB3 TYR 88 23.631 15.373 1.590 682 HD1 TYR 88 HD2 TYR 88 22.300 14.996 -0.508 683 HD2 TYR 88 HD1 TYR 88 22.507 18.793 1.401 684 HE1 TYR 88 HE2 TYR 88 21.523 16.072 -2.578 685 HE2 TYR 88 HE1 TYR 88 21.730 19.879 -0.664 686 HH TYR 88 HH TYR 88 20.243 18.956 -2.782 687 H VAL 89 H VAL 89 19.437 15.721 1.832 688 HA VAL 89 HA VAL 89 19.545 13.117 0.455 689 HB VAL 89 HB VAL 89 17.016 13.066 0.872 690 HG11 VAL 89 HG11 VAL 89 17.653 12.471 3.449 691 HG12 VAL 89 HG12 VAL 89 17.919 11.398 2.075 692 HG13 VAL 89 HG13 VAL 89 19.235 12.409 2.673 693 HG21 VAL 89 HG21 VAL 89 16.092 14.345 2.595 694 HG22 VAL 89 HG22 VAL 89 17.674 14.818 3.218 695 HG23 VAL 89 HG23 VAL 89 17.084 15.497 1.701 696 H SER 90 H SER 90 18.348 12.925 -1.481 697 HA SER 90 HA SER 90 18.215 15.379 -2.989 698 HB2 SER 90 HB2 SER 90 18.472 12.578 -3.574 699 HB3 SER 90 HB3 SER 90 17.137 13.249 -4.511 700 HG SER 90 HG SER 90 18.495 14.550 -5.554 701 H ALA 91 H ALA 91 16.178 15.113 -4.716 702 HA ALA 91 HA ALA 91 13.971 16.114 -3.326 703 HB1 ALA 91 HB1 ALA 91 13.766 14.836 -6.035 704 HB2 ALA 91 HB2 ALA 91 12.857 16.202 -5.388 705 HB3 ALA 91 HB3 ALA 91 14.564 16.390 -5.791 706 H SER 92 H SER 92 11.858 14.646 -4.711 707 HA SER 92 HA SER 92 10.995 12.952 -2.726 708 HB2 SER 92 HB2 SER 92 9.649 13.852 -4.674 709 HB3 SER 92 HB3 SER 92 10.334 12.552 -5.649 710 HG SER 92 HG SER 92 8.207 12.233 -4.489 711 H THR 93 H THR 93 13.337 12.347 -5.177 712 HA THR 93 HA THR 93 13.239 9.586 -5.443 713 HB THR 93 HB THR 93 15.736 11.293 -5.387 714 HG1 THR 93 HG1 THR 93 15.359 11.595 -7.562 715 HG21 THR 93 HG21 THR 93 16.184 9.336 -7.207 716 HG22 THR 93 HG22 THR 93 15.199 8.467 -6.029 717 HG23 THR 93 HG23 THR 93 16.695 9.252 -5.522 718 H THR 94 H THR 94 14.318 11.526 -2.781 719 HA THR 94 HA THR 94 15.914 9.559 -1.490 720 HB THR 94 HB THR 94 16.104 11.963 -0.965 721 HG1 THR 94 HG1 THR 94 16.419 10.063 0.632 722 HG21 THR 94 HG21 THR 94 14.422 13.238 -0.147 723 HG22 THR 94 HG22 THR 94 13.754 11.923 0.820 724 HG23 THR 94 HG23 THR 94 13.403 12.016 -0.905 725 H GLU 95 H GLU 95 15.119 7.663 -0.851 726 HA GLU 95 HA GLU 95 12.368 7.498 0.123 727 HB2 GLU 95 HB2 GLU 95 14.216 5.154 -0.206 728 HB3 GLU 95 HB3 GLU 95 12.460 5.191 -0.279 729 HG2 GLU 95 HG2 GLU 95 12.783 6.641 -2.373 730 HG3 GLU 95 HG3 GLU 95 14.444 6.051 -2.344 731 H LEU 96 H LEU 96 12.039 7.753 2.225 732 HA LEU 96 HA LEU 96 14.174 7.047 4.107 733 HB2 LEU 96 HB2 LEU 96 11.659 8.501 4.832 734 HB3 LEU 96 HB3 LEU 96 13.228 8.534 5.634 735 HG LEU 96 HG LEU 96 13.092 10.629 4.657 736 HD11 LEU 96 HD11 LEU 96 15.031 8.969 3.819 737 HD12 LEU 96 HD12 LEU 96 14.946 10.674 3.376 738 HD13 LEU 96 HD13 LEU 96 14.343 9.443 2.266 739 HD21 LEU 96 HD21 LEU 96 12.266 9.633 1.972 740 HD22 LEU 96 HD22 LEU 96 11.983 11.200 2.729 741 HD23 LEU 96 HD23 LEU 96 11.051 9.791 3.240 742 H VAL 97 H VAL 97 10.607 6.966 4.181 743 HA VAL 97 HA VAL 97 10.729 4.188 5.101 744 HB VAL 97 HB VAL 97 10.581 5.774 7.080 745 HG11 VAL 97 HG11 VAL 97 8.925 7.270 5.809 746 HG12 VAL 97 HG12 VAL 97 7.704 6.094 6.297 747 HG13 VAL 97 HG13 VAL 97 8.626 6.969 7.520 748 HG21 VAL 97 HG21 VAL 97 9.579 3.293 6.700 749 HG22 VAL 97 HG22 VAL 97 9.532 4.150 8.242 750 HG23 VAL 97 HG23 VAL 97 8.121 4.160 7.184 751 H ARG 98 H ARG 98 8.799 2.995 4.776 752 HA ARG 98 HA ARG 98 6.984 4.228 2.811 753 HB2 ARG 98 HB2 ARG 98 6.654 2.061 1.849 754 HB3 ARG 98 HB3 ARG 98 8.386 2.309 2.019 755 HG2 ARG 98 HG2 ARG 98 6.938 0.913 4.206 756 HG3 ARG 98 HG3 ARG 98 7.248 0.042 2.702 757 HD2 ARG 98 HD2 ARG 98 9.461 -0.096 3.090 758 HD3 ARG 98 HD3 ARG 98 9.545 1.527 3.774 759 HE ARG 98 HE ARG 98 8.278 0.147 5.704 760 HH11 ARG 98 HH11 ARG 98 11.197 -0.460 3.908 761 HH12 ARG 98 HH12 ARG 98 11.963 -1.331 5.196 762 HH21 ARG 98 HH21 ARG 98 9.275 -0.997 7.406 763 HH22 ARG 98 HH22 ARG 98 10.868 -1.636 7.185 764 H VAL 99 H VAL 99 4.753 3.779 2.933 765 HA VAL 99 HA VAL 99 3.852 3.091 5.643 766 HB VAL 99 HB VAL 99 3.189 5.310 4.768 767 HG11 VAL 99 HG11 VAL 99 2.892 4.149 2.377 768 HG12 VAL 99 HG12 VAL 99 1.213 4.110 2.921 769 HG13 VAL 99 HG13 VAL 99 2.075 5.646 2.823 770 HG21 VAL 99 HG21 VAL 99 1.285 3.223 5.622 771 HG22 VAL 99 HG22 VAL 99 1.667 4.782 6.355 772 HG23 VAL 99 HG23 VAL 99 0.576 4.701 4.971 773 H THR 100 H THR 100 2.591 1.370 6.030 774 HA THR 100 HA THR 100 1.446 -0.069 3.730 775 HB THR 100 HB THR 100 3.495 -1.229 4.482 776 HG1 THR 100 HG1 THR 100 1.376 -2.868 5.332 777 HG21 THR 100 HG21 THR 100 2.008 -1.564 7.090 778 HG22 THR 100 HG22 THR 100 3.439 -0.563 6.842 779 HG23 THR 100 HG23 THR 100 3.547 -2.315 6.673 780 H ASN 101 H ASN 101 -0.201 -1.733 4.473 781 HA ASN 101 HA ASN 101 -2.272 -2.072 5.360 782 HB2 ASN 101 HB2 ASN 101 -0.375 -2.163 7.430 783 HB3 ASN 101 HB3 ASN 101 -1.729 -1.239 8.073 784 HD21 ASN 101 HD21 ASN 101 -3.345 -2.344 8.907 785 HD22 ASN 101 HD22 ASN 101 -3.684 -4.014 8.627 786 H LEU 102 H LEU 102 -3.746 -0.915 7.339 787 HA LEU 102 HA LEU 102 -3.708 1.963 7.037 788 HB2 LEU 102 HB2 LEU 102 -5.017 0.704 5.097 789 HB3 LEU 102 HB3 LEU 102 -6.293 0.697 6.312 790 HG LEU 102 HG LEU 102 -6.652 2.574 4.896 791 HD11 LEU 102 HD11 LEU 102 -5.329 3.939 7.178 792 HD12 LEU 102 HD12 LEU 102 -6.617 2.787 7.528 793 HD13 LEU 102 HD13 LEU 102 -6.936 4.176 6.491 794 HD21 LEU 102 HD21 LEU 102 -4.815 4.369 4.810 795 HD22 LEU 102 HD22 LEU 102 -4.632 2.939 3.793 796 HD23 LEU 102 HD23 LEU 102 -3.724 3.073 5.300 797 H ASN 103 H ASN 103 -5.512 -0.872 8.169 798 HA ASN 103 HA ASN 103 -6.892 0.565 10.220 799 HB2 ASN 103 HB2 ASN 103 -6.528 -2.368 9.625 800 HB3 ASN 103 HB3 ASN 103 -7.399 -1.808 11.049 801 HD21 ASN 103 HD21 ASN 103 -8.381 -3.337 8.799 802 HD22 ASN 103 HD22 ASN 103 -9.661 -2.411 8.100 803 HA PRO 104 HA PRO 104 -3.942 0.539 13.471 804 HB2 PRO 104 HB2 PRO 104 -5.545 0.224 15.639 805 HB3 PRO 104 HB3 PRO 104 -5.470 1.725 14.709 806 HG2 PRO 104 HG2 PRO 104 -7.485 -0.485 14.581 807 HG3 PRO 104 HG3 PRO 104 -7.746 1.269 14.562 808 HD2 PRO 104 HD2 PRO 104 -7.796 -0.236 12.311 809 HD3 PRO 104 HD3 PRO 104 -7.232 1.447 12.322 810 H ILE 105 H ILE 105 -3.402 -0.732 15.569 811 HA ILE 105 HA ILE 105 -4.063 -3.570 15.352 812 HB ILE 105 HB ILE 105 -1.206 -2.594 15.444 813 HG12 ILE 105 HG12 ILE 105 -2.345 -2.299 13.228 814 HG13 ILE 105 HG13 ILE 105 -0.975 -3.402 13.190 815 HG21 ILE 105 HG21 ILE 105 -0.997 -4.588 16.489 816 HG22 ILE 105 HG22 ILE 105 -2.501 -5.219 15.821 817 HG23 ILE 105 HG23 ILE 105 -1.038 -5.200 14.836 818 HD11 ILE 105 HD11 ILE 105 -3.529 -3.876 12.233 819 HD12 ILE 105 HD12 ILE 105 -2.242 -5.062 12.455 820 HD13 ILE 105 HD13 ILE 105 -3.434 -4.805 13.729 821 H TYR 106 H TYR 106 -3.929 -4.697 17.269 822 HA TYR 106 HA TYR 106 -2.670 -3.612 19.602 823 HB2 TYR 106 HB2 TYR 106 -4.923 -3.591 20.876 824 HB3 TYR 106 HB3 TYR 106 -4.516 -2.203 19.872 825 HD1 TYR 106 HD2 TYR 106 -5.710 -1.779 17.790 826 HD2 TYR 106 HD1 TYR 106 -6.717 -5.099 20.254 827 HE1 TYR 106 HE2 TYR 106 -7.825 -2.042 16.563 828 HE2 TYR 106 HE1 TYR 106 -8.834 -5.372 19.031 829 HH TYR 106 HH TYR 106 -9.942 -4.782 17.114 830 H ALA 107 H ALA 107 -2.616 -6.059 18.088 831 HA ALA 107 HA ALA 107 -2.651 -7.925 20.203 832 HB1 ALA 107 HB1 ALA 107 -4.703 -8.731 18.213 833 HB2 ALA 107 HB2 ALA 107 -4.549 -9.154 19.919 834 HB3 ALA 107 HB3 ALA 107 -5.165 -7.568 19.456 835 H ASP 108 H ASP 108 -0.561 -8.226 19.345 836 HA ASP 108 HA ASP 108 -0.339 -10.345 17.482 837 HB2 ASP 108 HB2 ASP 108 -0.692 -8.770 15.744 838 HB3 ASP 108 HB3 ASP 108 0.345 -7.573 16.516 839 H GLY 109 H GLY 109 1.653 -7.501 18.327 840 HA2 GLY 109 HA2 GLY 109 3.665 -7.345 19.423 841 HA3 GLY 109 HA3 GLY 109 3.288 -8.893 20.163 842 H SER 110 H SER 110 4.932 -7.273 17.563 843 HA SER 110 HA SER 110 5.940 -9.791 16.487 844 HB2 SER 110 HB2 SER 110 5.227 -7.541 15.201 845 HB3 SER 110 HB3 SER 110 6.939 -7.194 15.444 846 HG SER 110 HG SER 110 6.726 -8.293 13.519 847 H HIS 111 H HIS 111 7.338 -6.706 17.611 848 HA HIS 111 HA HIS 111 9.282 -6.219 18.687 849 HB2 HIS 111 HB2 HIS 111 8.377 -7.965 20.275 850 HB3 HIS 111 HB3 HIS 111 9.394 -9.141 19.446 851 HD1 HIS 111 HD1 HIS 111 9.449 -6.614 22.085 852 HD2 HIS 111 HD2 HIS 111 12.234 -8.588 19.717 853 HE1 HIS 111 HE1 HIS 111 11.665 -6.265 23.221 854 H HIS 112 H HIS 112 10.127 -5.915 16.493 855 HA HIS 112 HA HIS 112 11.702 -8.001 15.300 856 HB2 HIS 112 HB2 HIS 112 10.852 -5.290 14.599 857 HB3 HIS 112 HB3 HIS 112 12.499 -5.650 14.092 858 HD1 HIS 112 HD1 HIS 112 12.803 -7.239 12.138 859 HD2 HIS 112 HD2 HIS 112 8.854 -6.923 13.387 860 HE1 HIS 112 HE1 HIS 112 11.444 -8.398 10.369 861 H HIS 113 H HIS 113 14.033 -7.282 14.584 862 HA HIS 113 HA HIS 113 15.460 -5.953 16.756 863 HB2 HIS 113 HB2 HIS 113 17.141 -7.872 16.743 864 HB3 HIS 113 HB3 HIS 113 15.601 -8.182 17.539 865 HD1 HIS 113 HD1 HIS 113 17.455 -8.976 14.348 866 HD2 HIS 113 HD2 HIS 113 14.147 -10.270 16.503 867 HE1 HIS 113 HE1 HIS 113 16.705 -11.096 13.222 868 H HIS 114 H HIS 114 17.857 -5.773 16.191 869 HA HIS 114 HA HIS 114 18.774 -6.044 13.556 870 HB2 HIS 114 HB2 HIS 114 16.938 -4.028 13.663 871 HB3 HIS 114 HB3 HIS 114 18.433 -3.145 13.958 872 HD1 HIS 114 HD1 HIS 114 16.640 -5.115 11.334 873 HD2 HIS 114 HD2 HIS 114 20.168 -2.967 11.774 874 HE1 HIS 114 HE1 HIS 114 17.554 -4.841 9.008 875 H HIS 115 H HIS 115 20.857 -4.943 13.200 876 HA HIS 115 HA HIS 115 22.164 -3.524 15.270 877 HB2 HIS 115 HB2 HIS 115 23.731 -5.229 16.034 878 HB3 HIS 115 HB3 HIS 115 22.078 -5.726 16.381 879 HD1 HIS 115 HD1 HIS 115 21.074 -7.594 14.758 880 HD2 HIS 115 HD2 HIS 115 25.174 -6.975 14.492 881 HE1 HIS 115 HE1 HIS 115 21.982 -9.609 13.560 882 H HIS 116 H HIS 116 24.740 -3.890 14.871 883 HA HIS 116 HA HIS 116 26.482 -3.492 13.463 884 HB2 HIS 116 HB2 HIS 116 25.680 -5.743 12.560 885 HB3 HIS 116 HB3 HIS 116 24.883 -4.829 11.284 886 HD1 HIS 116 HD1 HIS 116 28.222 -3.693 12.484 887 HD2 HIS 116 HD2 HIS 116 26.627 -5.928 9.367 888 HE1 HIS 116 HE1 HIS 116 30.088 -3.951 10.820 889 H2 B6D 117 H2 B6D 117 20.264 36.386 1.739 890 H1 B6D 117 H1 B6D 117 19.120 33.639 0.951 891 H3 B6D 117 H3 B6D 117 20.935 34.539 -0.607 892 HN2 B6D 117 HN2 B6D 117 18.582 37.135 0.450 893 H5 B6D 117 H5 B6D 117 21.487 32.640 1.147 894 H8 B6D 117 H22 B6D 117 17.509 37.232 -2.220 895 H8A B6D 117 H21 B6D 117 16.511 36.738 -0.833 896 H8B B6D 117 H23 B6D 117 16.631 35.683 -2.267 897 H4 B6D 117 H4 B6D 117 22.577 35.420 1.817 898 HN4 B6D 117 HN4 B6D 117 24.303 34.817 0.487 899 H9 B6D 117 H43 B6D 117 25.450 32.250 -0.470 900 H9A B6D 117 H41 B6D 117 24.786 32.383 -2.120 901 H9B B6D 117 H42 B6D 117 25.459 33.824 -1.319 902 H6 B6D 117 H62 B6D 117 22.349 31.895 3.237 903 H6A B6D 117 H63 B6D 117 23.684 32.843 2.552 904 H6B B6D 117 H61 B6D 117 22.653 33.546 3.809 905 H1 A2G 118 H1 A2G 118 22.875 35.308 -1.884 906 H2 A2G 118 H2 A2G 118 23.721 37.280 -3.155 907 H3 A2G 118 H3 A2G 118 22.144 38.850 -1.056 908 H4 A2G 118 H4 A2G 118 20.895 39.716 -2.948 909 H5 A2G 118 H5 A2G 118 20.059 37.744 -2.025 910 H61 A2G 118 H61 A2G 118 19.718 37.771 -4.983 911 H62 A2G 118 H62 A2G 118 18.558 38.075 -3.682 912 H81 A2G 118 H81 A2G 118 26.236 37.889 0.638 913 H82 A2G 118 H82 A2G 118 27.390 38.809 -0.361 914 H83 A2G 118 H83 A2G 118 27.333 37.033 -0.489 915 HO3 A2G 118 HO3 A2G 118 24.142 39.654 -2.879 916 HO6 A2G 118 HO6 A2G 118 18.039 36.067 -4.378 917 HN2 A2G 118 HN2 A2G 118 24.419 36.721 -0.443 918 H1 A2G 119 H1 A2G 119 20.308 39.700 -5.298 919 H2 A2G 119 H2 A2G 119 21.223 39.777 -7.616 920 H3 A2G 119 H3 A2G 119 23.642 38.429 -6.317 921 H4 A2G 119 H4 A2G 119 24.872 40.375 -7.084 922 H5 A2G 119 H5 A2G 119 23.914 40.577 -4.966 923 H61 A2G 119 H61 A2G 119 23.231 43.297 -6.059 924 H62 A2G 119 H62 A2G 119 24.889 42.713 -5.861 925 H81 A2G 119 H81 A2G 119 19.004 36.025 -7.302 926 H82 A2G 119 H82 A2G 119 20.374 35.250 -8.138 927 H83 A2G 119 H83 A2G 119 19.034 35.940 -9.088 928 HO3 A2G 119 HO3 A2G 119 24.419 38.535 -8.553 929 HO6 A2G 119 HO6 A2G 119 24.270 42.252 -3.603 930 HN2 A2G 119 HN2 A2G 119 21.031 37.169 -6.267 931 H1 A2G 120 H1 A2G 120 25.108 42.380 -8.220 932 H2 A2G 120 H2 A2G 120 24.354 43.895 -10.050 933 H3 A2G 120 H3 A2G 120 21.762 42.287 -9.818 934 H4 A2G 120 H4 A2G 120 22.165 41.699 -12.139 935 H5 A2G 120 H5 A2G 120 23.131 40.269 -10.570 936 H61 A2G 120 H61 A2G 120 25.547 40.344 -12.311 937 H62 A2G 120 H62 A2G 120 23.964 40.037 -13.040 938 H81 A2G 120 H81 A2G 120 24.158 46.049 -5.746 939 H82 A2G 120 H82 A2G 120 22.549 45.391 -6.140 940 H83 A2G 120 H83 A2G 120 23.129 46.860 -6.965 941 HO6 A2G 120 HO6 A2G 120 23.816 38.162 -12.021 942 HN2 A2G 120 HN2 A2G 120 22.199 44.286 -8.198 943 H1 A2G 121 H1 A2G 121 23.108 41.926 -14.140 944 H2 A2G 121 H2 A2G 121 24.732 42.977 -15.714 945 H3 A2G 121 H3 A2G 121 25.779 44.310 -13.167 946 H4 A2G 121 H4 A2G 121 25.229 46.394 -14.284 947 H5 A2G 121 H5 A2G 121 23.505 45.458 -13.022 948 H61 A2G 121 H61 A2G 121 22.693 47.073 -15.255 949 H62 A2G 121 H62 A2G 121 22.143 47.077 -13.573 950 H81 A2G 121 H81 A2G 121 26.391 38.635 -15.315 951 H82 A2G 121 H82 A2G 121 26.669 39.434 -13.746 952 H83 A2G 121 H83 A2G 121 27.810 39.701 -15.088 953 HO3 A2G 121 HO3 A2G 121 27.457 43.582 -14.583 954 HO6 A2G 121 HO6 A2G 121 21.233 44.969 -15.175 955 HN2 A2G 121 HN2 A2G 121 26.260 41.746 -13.511 956 H1 A2G 122 H1 A2G 122 24.399 47.664 -16.198 957 H2 A2G 122 H2 A2G 122 24.598 47.807 -18.678 958 H3 A2G 122 H3 A2G 122 24.891 44.769 -18.465 959 H4 A2G 122 H4 A2G 122 27.059 45.117 -19.501 960 H5 A2G 122 H5 A2G 122 27.043 45.226 -17.172 961 H61 A2G 122 H61 A2G 122 28.803 47.363 -16.825 962 H62 A2G 122 H62 A2G 122 29.042 46.813 -18.489 963 H81 A2G 122 H81 A2G 122 20.406 46.684 -17.431 964 H82 A2G 122 H82 A2G 122 20.279 44.927 -17.152 965 H83 A2G 122 H83 A2G 122 20.257 45.560 -18.817 966 HO3 A2G 122 HO3 A2G 122 24.699 46.351 -20.815 967 HO6 A2G 122 HO6 A2G 122 30.282 45.655 -16.821 968 HN2 A2G 122 HN2 A2G 122 22.381 47.580 -18.450 969 H2 BGC 123 H2 BGC 123 20.277 45.874 -11.908 970 H3 BGC 123 H3 BGC 123 17.520 44.599 -11.695 971 H4 BGC 123 H4 BGC 123 19.100 44.752 -14.317 972 H5 BGC 123 H5 BGC 123 18.506 42.298 -12.580 973 H6C1 BGC 123 H61 BGC 123 19.042 42.456 -15.428 974 H6C2 BGC 123 H62 BGC 123 20.448 41.734 -14.622 975 H1 BGC 123 H1 BGC 123 19.832 43.122 -10.646 976 HB BGC 123 HO2 BGC 123 19.289 46.512 -10.104 977 HC BGC 123 HO3 BGC 123 17.148 46.349 -13.214 978 HD BGC 123 HO4 BGC 123 17.236 44.009 -15.113 979 H6 BGC 123 HO6 BGC 123 19.092 40.177 -13.714 Start of MODEL 5 1 H1 ASP 1 H ASP 1 0.788 -0.566 0.054 2 HA ASP 1 HA ASP 1 3.211 -0.384 -0.230 3 HB2 ASP 1 HB2 ASP 1 3.334 -1.010 -2.733 4 HB3 ASP 1 HB3 ASP 1 2.420 -2.064 -1.657 5 H VAL 2 H VAL 2 3.148 2.082 0.263 6 HA VAL 2 HA VAL 2 4.189 3.455 -2.124 7 HB VAL 2 HB VAL 2 2.567 4.820 0.024 8 HG11 VAL 2 HG11 VAL 2 3.965 5.701 -2.451 9 HG12 VAL 2 HG12 VAL 2 2.464 6.509 -1.997 10 HG13 VAL 2 HG13 VAL 2 3.832 6.498 -0.884 11 HG21 VAL 2 HG21 VAL 2 0.949 5.041 -2.031 12 HG22 VAL 2 HG22 VAL 2 1.758 3.565 -2.557 13 HG23 VAL 2 HG23 VAL 2 0.914 3.604 -1.009 14 H ILE 3 H ILE 3 5.814 5.021 -1.735 15 HA ILE 3 HA ILE 3 7.196 4.648 0.838 16 HB ILE 3 HB ILE 3 8.326 5.438 -1.848 17 HG12 ILE 3 HG12 ILE 3 8.583 2.926 -0.185 18 HG13 ILE 3 HG13 ILE 3 7.794 3.078 -1.750 19 HG21 ILE 3 HG21 ILE 3 10.514 5.347 -0.759 20 HG22 ILE 3 HG22 ILE 3 9.484 6.580 -0.033 21 HG23 ILE 3 HG23 ILE 3 9.731 5.041 0.791 22 HD11 ILE 3 HD11 ILE 3 10.244 3.939 -2.400 23 HD12 ILE 3 HD12 ILE 3 10.648 2.839 -1.081 24 HD13 ILE 3 HD13 ILE 3 9.751 2.248 -2.478 25 H ILE 4 H ILE 4 7.486 6.339 2.144 26 HA ILE 4 HA ILE 4 6.450 8.924 1.340 27 HB ILE 4 HB ILE 4 7.522 7.926 3.979 28 HG12 ILE 4 HG12 ILE 4 4.722 8.663 3.100 29 HG13 ILE 4 HG13 ILE 4 5.331 7.020 3.268 30 HG21 ILE 4 HG21 ILE 4 6.096 10.260 4.441 31 HG22 ILE 4 HG22 ILE 4 7.845 10.059 4.525 32 HG23 ILE 4 HG23 ILE 4 7.093 10.627 3.035 33 HD11 ILE 4 HD11 ILE 4 5.823 8.360 5.706 34 HD12 ILE 4 HD12 ILE 4 4.157 8.693 5.231 35 HD13 ILE 4 HD13 ILE 4 4.714 7.026 5.385 36 H LYS 5 H LYS 5 7.722 10.295 0.293 37 HA LYS 5 HA LYS 5 10.494 10.623 1.220 38 HB2 LYS 5 HB2 LYS 5 9.594 10.654 -1.667 39 HB3 LYS 5 HB3 LYS 5 11.230 10.950 -1.093 40 HG2 LYS 5 HG2 LYS 5 11.683 8.784 -1.085 41 HG3 LYS 5 HG3 LYS 5 10.265 8.436 -0.093 42 HD2 LYS 5 HD2 LYS 5 9.062 7.744 -1.857 43 HD3 LYS 5 HD3 LYS 5 9.633 9.065 -2.879 44 HE2 LYS 5 HE2 LYS 5 11.879 7.533 -2.622 45 HE3 LYS 5 HE3 LYS 5 10.606 6.313 -2.630 46 HZ1 LYS 5 HZ1 LYS 5 9.878 6.993 -4.729 47 HZ2 LYS 5 HZ2 LYS 5 11.565 6.995 -4.856 48 HZ3 LYS 5 HZ3 LYS 5 10.729 8.454 -4.668 49 HA PRO 6 HA PRO 6 9.676 14.931 1.382 50 HB2 PRO 6 HB2 PRO 6 12.088 15.972 0.698 51 HB3 PRO 6 HB3 PRO 6 11.787 15.186 2.253 52 HG2 PRO 6 HG2 PRO 6 13.080 14.079 -0.210 53 HG3 PRO 6 HG3 PRO 6 13.565 13.899 1.487 54 HD2 PRO 6 HD2 PRO 6 12.223 11.969 0.142 55 HD3 PRO 6 HD3 PRO 6 12.015 12.240 1.885 56 H GLN 7 H GLN 7 8.888 16.516 0.097 57 HA GLN 7 HA GLN 7 9.005 16.099 -2.777 58 HB2 GLN 7 HB2 GLN 7 7.289 17.910 -2.840 59 HB3 GLN 7 HB3 GLN 7 6.823 16.519 -1.870 60 HG2 GLN 7 HG2 GLN 7 6.934 17.672 0.095 61 HG3 GLN 7 HG3 GLN 7 8.141 18.806 -0.509 62 HE21 GLN 7 HE21 GLN 7 7.427 20.783 -0.787 63 HE22 GLN 7 HE22 GLN 7 5.806 21.243 -1.166 64 H VAL 8 H VAL 8 11.176 17.332 -0.925 65 HA VAL 8 HA VAL 8 11.984 19.353 -2.849 66 HB VAL 8 HB VAL 8 12.442 21.067 -1.185 67 HG11 VAL 8 HG11 VAL 8 10.239 21.859 -0.881 68 HG12 VAL 8 HG12 VAL 8 10.198 20.885 -2.352 69 HG13 VAL 8 HG13 VAL 8 9.576 20.225 -0.838 70 HG21 VAL 8 HG21 VAL 8 12.857 20.024 0.830 71 HG22 VAL 8 HG22 VAL 8 11.247 20.688 1.102 72 HG23 VAL 8 HG23 VAL 8 11.442 18.981 0.705 73 H SER 9 H SER 9 14.208 19.758 -2.861 74 HA SER 9 HA SER 9 15.792 17.665 -1.602 75 HB2 SER 9 HB2 SER 9 17.023 19.737 -3.365 76 HB3 SER 9 HB3 SER 9 17.362 18.009 -3.255 77 HG SER 9 HG SER 9 16.124 18.923 -5.165 78 H GLY 10 H GLY 10 17.537 18.024 -0.238 79 HA2 GLY 10 HA2 GLY 10 18.749 20.387 0.456 80 HA3 GLY 10 HA3 GLY 10 17.310 20.317 1.462 81 H VAL 11 H VAL 11 17.745 19.608 3.431 82 HA VAL 11 HA VAL 11 19.369 17.213 3.772 83 HB VAL 11 HB VAL 11 19.988 19.769 5.262 84 HG11 VAL 11 HG11 VAL 11 20.667 16.947 5.711 85 HG12 VAL 11 HG12 VAL 11 22.031 18.064 5.783 86 HG13 VAL 11 HG13 VAL 11 20.637 18.303 6.838 87 HG21 VAL 11 HG21 VAL 11 20.882 19.972 3.075 88 HG22 VAL 11 HG22 VAL 11 22.223 19.506 4.123 89 HG23 VAL 11 HG23 VAL 11 21.459 18.305 3.080 90 H ILE 12 H ILE 12 18.676 15.943 5.406 91 HA ILE 12 HA ILE 12 16.167 16.316 6.549 92 HB ILE 12 HB ILE 12 18.440 14.567 7.493 93 HG12 ILE 12 HG12 ILE 12 17.520 14.168 5.187 94 HG13 ILE 12 HG13 ILE 12 17.349 12.803 6.285 95 HG21 ILE 12 HG21 ILE 12 17.049 14.759 9.366 96 HG22 ILE 12 HG22 ILE 12 15.583 14.758 8.388 97 HG23 ILE 12 HG23 ILE 12 16.517 13.275 8.575 98 HD11 ILE 12 HD11 ILE 12 15.109 12.889 6.242 99 HD12 ILE 12 HD12 ILE 12 15.069 14.652 6.206 100 HD13 ILE 12 HD13 ILE 12 15.375 13.746 4.724 101 H VAL 13 H VAL 13 15.445 16.999 8.539 102 HA VAL 13 HA VAL 13 17.409 18.456 10.186 103 HB VAL 13 HB VAL 13 14.488 19.139 10.167 104 HG11 VAL 13 HG11 VAL 13 16.721 20.051 11.573 105 HG12 VAL 13 HG12 VAL 13 16.364 21.315 10.395 106 HG13 VAL 13 HG13 VAL 13 15.118 20.783 11.525 107 HG21 VAL 13 HG21 VAL 13 15.210 20.979 8.512 108 HG22 VAL 13 HG22 VAL 13 16.555 19.902 8.133 109 HG23 VAL 13 HG23 VAL 13 14.896 19.361 7.884 110 H ASN 14 H ASN 14 14.526 16.431 10.195 111 HA ASN 14 HA ASN 14 15.253 15.191 12.645 112 HB2 ASN 14 HB2 ASN 14 14.184 17.514 13.251 113 HB3 ASN 14 HB3 ASN 14 12.670 16.685 12.899 114 HD21 ASN 14 HD21 ASN 14 12.245 17.147 15.167 115 HD22 ASN 14 HD22 ASN 14 12.830 16.048 16.366 116 H LYS 15 H LYS 15 13.289 13.814 13.463 117 HA LYS 15 HA LYS 15 11.583 12.970 11.242 118 HB2 LYS 15 HB2 LYS 15 12.906 10.813 12.812 119 HB3 LYS 15 HB3 LYS 15 12.319 10.793 11.155 120 HG2 LYS 15 HG2 LYS 15 14.229 12.158 10.466 121 HG3 LYS 15 HG3 LYS 15 14.821 12.159 12.128 122 HD2 LYS 15 HD2 LYS 15 14.451 9.733 10.372 123 HD3 LYS 15 HD3 LYS 15 15.990 10.488 10.794 124 HE2 LYS 15 HE2 LYS 15 14.896 10.069 13.250 125 HE3 LYS 15 HE3 LYS 15 14.273 8.686 12.351 126 HZ1 LYS 15 HZ1 LYS 15 16.255 7.858 13.055 127 HZ2 LYS 15 HZ2 LYS 15 17.036 9.358 13.045 128 HZ3 LYS 15 HZ3 LYS 15 16.762 8.538 11.592 129 H LEU 16 H LEU 16 9.699 13.526 12.215 130 HA LEU 16 HA LEU 16 9.198 12.696 14.965 131 HB2 LEU 16 HB2 LEU 16 7.153 14.060 13.284 132 HB3 LEU 16 HB3 LEU 16 7.464 14.203 15.013 133 HG LEU 16 HG LEU 16 9.125 15.420 12.806 134 HD11 LEU 16 HD11 LEU 16 8.012 17.356 13.090 135 HD12 LEU 16 HD12 LEU 16 7.771 17.091 14.816 136 HD13 LEU 16 HD13 LEU 16 6.719 16.294 13.647 137 HD21 LEU 16 HD21 LEU 16 9.486 15.198 15.756 138 HD22 LEU 16 HD22 LEU 16 10.011 16.669 14.936 139 HD23 LEU 16 HD23 LEU 16 10.681 15.108 14.462 140 H PHE 17 H PHE 17 9.424 10.424 13.833 141 HA PHE 17 HA PHE 17 6.713 9.400 13.633 142 HB2 PHE 17 HB2 PHE 17 6.819 8.536 11.510 143 HB3 PHE 17 HB3 PHE 17 7.812 9.972 11.284 144 HD1 PHE 17 HD2 PHE 17 10.238 9.790 11.097 145 HD2 PHE 17 HD1 PHE 17 7.772 6.340 11.464 146 HE1 PHE 17 HE2 PHE 17 12.105 8.379 10.339 147 HE2 PHE 17 HE1 PHE 17 9.637 4.922 10.708 148 HZ PHE 17 HZ PHE 17 11.806 5.942 10.143 149 H LYS 18 H LYS 18 6.661 7.009 13.711 150 HA LYS 18 HA LYS 18 9.060 5.881 14.993 151 HB2 LYS 18 HB2 LYS 18 6.187 5.655 15.887 152 HB3 LYS 18 HB3 LYS 18 7.451 4.572 16.456 153 HG2 LYS 18 HG2 LYS 18 7.317 6.172 18.125 154 HG3 LYS 18 HG3 LYS 18 8.686 6.715 17.153 155 HD2 LYS 18 HD2 LYS 18 7.630 8.590 16.497 156 HD3 LYS 18 HD3 LYS 18 6.086 7.761 16.285 157 HE2 LYS 18 HE2 LYS 18 7.056 8.132 19.060 158 HE3 LYS 18 HE3 LYS 18 6.508 9.571 18.202 159 HZ1 LYS 18 HZ1 LYS 18 4.938 7.711 19.487 160 HZ2 LYS 18 HZ2 LYS 18 4.690 7.423 17.839 161 HZ3 LYS 18 HZ3 LYS 18 4.409 8.963 18.480 162 H ALA 19 H ALA 19 9.045 3.470 15.021 163 HA ALA 19 HA ALA 19 8.219 2.496 12.410 164 HB1 ALA 19 HB1 ALA 19 10.449 2.064 13.978 165 HB2 ALA 19 HB2 ALA 19 9.539 0.558 14.123 166 HB3 ALA 19 HB3 ALA 19 10.000 1.160 12.531 167 H GLY 20 H GLY 20 6.386 1.424 12.099 168 HA2 GLY 20 HA2 GLY 20 4.690 -0.109 12.454 169 HA3 GLY 20 HA3 GLY 20 5.467 -0.565 13.962 170 H ASP 21 H ASP 21 4.772 2.772 13.390 171 HA ASP 21 HA ASP 21 2.772 2.681 15.525 172 HB2 ASP 21 HB2 ASP 21 4.915 4.340 15.168 173 HB3 ASP 21 HB3 ASP 21 3.605 5.313 14.505 174 H LYS 22 H LYS 22 1.141 4.663 15.222 175 HA LYS 22 HA LYS 22 -0.210 4.133 12.673 176 HB2 LYS 22 HB2 LYS 22 -1.276 5.297 15.252 177 HB3 LYS 22 HB3 LYS 22 -2.229 5.018 13.801 178 HG2 LYS 22 HG2 LYS 22 -2.305 2.767 14.113 179 HG3 LYS 22 HG3 LYS 22 -0.744 2.715 14.935 180 HD2 LYS 22 HD2 LYS 22 -2.451 4.254 16.560 181 HD3 LYS 22 HD3 LYS 22 -3.383 2.842 16.054 182 HE2 LYS 22 HE2 LYS 22 -1.367 1.455 16.738 183 HE3 LYS 22 HE3 LYS 22 -0.751 2.916 17.511 184 HZ1 LYS 22 HZ1 LYS 22 -3.149 1.339 18.199 185 HZ2 LYS 22 HZ2 LYS 22 -3.009 2.955 18.679 186 HZ3 LYS 22 HZ3 LYS 22 -1.871 1.817 19.200 187 H VAL 23 H VAL 23 -0.236 5.634 11.141 188 HA VAL 23 HA VAL 23 0.523 8.382 11.851 189 HB VAL 23 HB VAL 23 1.686 6.890 9.995 190 HG11 VAL 23 HG11 VAL 23 -0.319 8.326 8.291 191 HG12 VAL 23 HG12 VAL 23 0.793 7.030 7.847 192 HG13 VAL 23 HG13 VAL 23 -0.613 6.681 8.853 193 HG21 VAL 23 HG21 VAL 23 2.243 9.219 10.665 194 HG22 VAL 23 HG22 VAL 23 2.470 8.905 8.944 195 HG23 VAL 23 HG23 VAL 23 1.052 9.796 9.498 196 H LYS 24 H LYS 24 -0.520 10.131 10.581 197 HA LYS 24 HA LYS 24 -3.339 9.508 9.993 198 HB2 LYS 24 HB2 LYS 24 -3.000 10.727 12.160 199 HB3 LYS 24 HB3 LYS 24 -2.319 12.065 11.242 200 HG2 LYS 24 HG2 LYS 24 -4.452 12.804 11.408 201 HG3 LYS 24 HG3 LYS 24 -4.619 11.841 9.938 202 HD2 LYS 24 HD2 LYS 24 -5.115 10.671 12.661 203 HD3 LYS 24 HD3 LYS 24 -6.378 11.527 11.775 204 HE2 LYS 24 HE2 LYS 24 -5.662 9.910 9.833 205 HE3 LYS 24 HE3 LYS 24 -5.047 8.929 11.163 206 HZ1 LYS 24 HZ1 LYS 24 -7.780 9.485 10.384 207 HZ2 LYS 24 HZ2 LYS 24 -7.490 9.545 12.049 208 HZ3 LYS 24 HZ3 LYS 24 -7.132 8.139 11.179 209 H LYS 25 H LYS 25 -4.356 10.783 8.385 210 HA LYS 25 HA LYS 25 -2.838 11.296 6.111 211 HB2 LYS 25 HB2 LYS 25 -5.441 12.704 6.636 212 HB3 LYS 25 HB3 LYS 25 -4.810 12.091 5.113 213 HG2 LYS 25 HG2 LYS 25 -4.990 9.793 6.497 214 HG3 LYS 25 HG3 LYS 25 -6.302 10.709 7.241 215 HD2 LYS 25 HD2 LYS 25 -7.390 9.698 5.477 216 HD3 LYS 25 HD3 LYS 25 -6.942 11.250 4.766 217 HE2 LYS 25 HE2 LYS 25 -4.972 10.216 3.751 218 HE3 LYS 25 HE3 LYS 25 -5.412 8.667 4.470 219 HZ1 LYS 25 HZ1 LYS 25 -7.658 9.310 3.168 220 HZ2 LYS 25 HZ2 LYS 25 -6.429 8.349 2.514 221 HZ3 LYS 25 HZ3 LYS 25 -6.501 9.998 2.145 222 H GLY 26 H GLY 26 -1.096 12.640 6.459 223 HA2 GLY 26 HA2 GLY 26 -0.361 14.878 5.984 224 HA3 GLY 26 HA3 GLY 26 -1.786 15.479 6.818 225 H GLN 27 H GLN 27 -0.223 12.885 8.378 226 HA GLN 27 HA GLN 27 0.510 14.575 10.584 227 HB2 GLN 27 HB2 GLN 27 -0.438 12.219 10.750 228 HB3 GLN 27 HB3 GLN 27 1.154 11.647 10.270 229 HG2 GLN 27 HG2 GLN 27 1.738 13.356 12.326 230 HG3 GLN 27 HG3 GLN 27 0.212 12.639 12.841 231 HE21 GLN 27 HE21 GLN 27 0.137 10.507 13.403 232 HE22 GLN 27 HE22 GLN 27 1.542 9.512 13.554 233 H THR 28 H THR 28 2.573 14.930 11.415 234 HA THR 28 HA THR 28 4.643 15.153 9.454 235 HB THR 28 HB THR 28 5.254 15.478 12.356 236 HG1 THR 28 HG1 THR 28 3.347 16.949 10.896 237 HG21 THR 28 HG21 THR 28 6.010 17.734 10.957 238 HG22 THR 28 HG22 THR 28 6.231 16.436 9.784 239 HG23 THR 28 HG23 THR 28 7.046 16.362 11.345 240 H LEU 29 H LEU 29 6.454 13.949 9.173 241 HA LEU 29 HA LEU 29 6.987 11.755 11.044 242 HB2 LEU 29 HB2 LEU 29 7.174 11.275 8.099 243 HB3 LEU 29 HB3 LEU 29 7.044 10.107 9.412 244 HG LEU 29 HG LEU 29 4.794 11.915 8.538 245 HD11 LEU 29 HD11 LEU 29 5.838 9.506 7.330 246 HD12 LEU 29 HD12 LEU 29 4.579 10.601 6.759 247 HD13 LEU 29 HD13 LEU 29 4.172 9.293 7.869 248 HD21 LEU 29 HD21 LEU 29 5.067 10.657 10.897 249 HD22 LEU 29 HD22 LEU 29 4.333 9.364 9.949 250 HD23 LEU 29 HD23 LEU 29 3.513 10.918 10.107 251 H PHE 30 H PHE 30 8.116 13.667 8.288 252 HA PHE 30 HA PHE 30 10.842 13.462 9.369 253 HB2 PHE 30 HB2 PHE 30 9.880 12.762 6.659 254 HB3 PHE 30 HB3 PHE 30 11.365 13.705 6.726 255 HD1 PHE 30 HD2 PHE 30 13.344 12.806 7.901 256 HD2 PHE 30 HD1 PHE 30 9.832 10.480 7.292 257 HE1 PHE 30 HE2 PHE 30 14.623 10.757 8.374 258 HE2 PHE 30 HE1 PHE 30 11.105 8.428 7.765 259 HZ PHE 30 HZ PHE 30 13.503 8.565 8.306 260 H ILE 31 H ILE 31 12.290 15.170 8.256 261 HA ILE 31 HA ILE 31 10.884 17.589 7.480 262 HB ILE 31 HB ILE 31 12.652 17.559 9.929 263 HG12 ILE 31 HG12 ILE 31 9.670 17.969 9.620 264 HG13 ILE 31 HG13 ILE 31 10.467 16.625 10.432 265 HG21 ILE 31 HG21 ILE 31 12.120 19.920 10.116 266 HG22 ILE 31 HG22 ILE 31 12.885 19.585 8.563 267 HG23 ILE 31 HG23 ILE 31 11.141 19.835 8.652 268 HD11 ILE 31 HD11 ILE 31 10.227 17.772 12.310 269 HD12 ILE 31 HD12 ILE 31 11.455 18.882 11.700 270 HD13 ILE 31 HD13 ILE 31 9.746 19.227 11.440 271 H ILE 32 H ILE 32 12.077 18.866 6.163 272 HA ILE 32 HA ILE 32 14.972 18.527 6.055 273 HB ILE 32 HB ILE 32 13.132 17.996 3.730 274 HG12 ILE 32 HG12 ILE 32 15.513 16.403 4.672 275 HG13 ILE 32 HG13 ILE 32 13.901 16.155 5.336 276 HG21 ILE 32 HG21 ILE 32 14.736 19.497 2.846 277 HG22 ILE 32 HG22 ILE 32 16.054 18.708 3.712 278 HG23 ILE 32 HG23 ILE 32 15.256 17.879 2.376 279 HD11 ILE 32 HD11 ILE 32 13.263 14.958 3.580 280 HD12 ILE 32 HD12 ILE 32 13.927 16.126 2.436 281 HD13 ILE 32 HD13 ILE 32 14.971 14.894 3.145 282 H GLU 33 H GLU 33 16.046 20.353 5.494 283 HA GLU 33 HA GLU 33 14.403 22.728 4.979 284 HB2 GLU 33 HB2 GLU 33 16.084 24.025 5.962 285 HB3 GLU 33 HB3 GLU 33 16.048 22.568 6.947 286 HG2 GLU 33 HG2 GLU 33 17.905 21.815 5.206 287 HG3 GLU 33 HG3 GLU 33 18.132 23.559 5.094 288 H GLN 34 H GLN 34 14.616 23.937 3.174 289 HA GLN 34 HA GLN 34 16.817 23.344 1.330 290 HB2 GLN 34 HB2 GLN 34 15.378 23.094 -0.549 291 HB3 GLN 34 HB3 GLN 34 14.762 22.026 0.705 292 HG2 GLN 34 HG2 GLN 34 13.663 24.748 0.036 293 HG3 GLN 34 HG3 GLN 34 12.974 23.207 -0.473 294 HE21 GLN 34 HE21 GLN 34 13.185 21.710 1.788 295 HE22 GLN 34 HE22 GLN 34 12.200 22.384 3.038 296 H ASP 35 H ASP 35 16.093 24.947 -0.762 297 HA ASP 35 HA ASP 35 15.099 27.477 -0.170 298 HB2 ASP 35 HB2 ASP 35 17.830 27.017 0.764 299 HB3 ASP 35 HB3 ASP 35 17.702 28.397 -0.324 300 H GLN 36 H GLN 36 17.284 25.476 -1.996 301 HA GLN 36 HA GLN 36 17.694 25.329 -4.231 302 HB2 GLN 36 HB2 GLN 36 15.666 27.503 -4.700 303 HB3 GLN 36 HB3 GLN 36 16.140 26.202 -5.783 304 HG2 GLN 36 HG2 GLN 36 14.627 25.855 -3.204 305 HG3 GLN 36 HG3 GLN 36 13.917 25.859 -4.818 306 HE21 GLN 36 HE21 GLN 36 13.726 23.752 -2.946 307 HE22 GLN 36 HE22 GLN 36 14.519 22.373 -3.619 308 H ALA 37 H ALA 37 18.913 27.386 -2.405 309 HA ALA 37 HA ALA 37 19.719 29.420 -4.358 310 HB1 ALA 37 HB1 ALA 37 18.983 29.772 -1.808 311 HB2 ALA 37 HB2 ALA 37 20.719 29.562 -1.581 312 HB3 ALA 37 HB3 ALA 37 20.117 30.837 -2.640 313 H SER 38 H SER 38 20.632 26.507 -4.114 314 HA SER 38 HA SER 38 22.544 25.335 -4.503 315 HB2 SER 38 HB2 SER 38 22.886 27.494 -5.989 316 HB3 SER 38 HB3 SER 38 24.145 27.845 -4.805 317 HG SER 38 HG SER 38 23.966 25.747 -6.654 318 H LYS 39 H LYS 39 22.701 24.547 -2.402 319 HA LYS 39 HA LYS 39 23.718 25.872 -0.182 320 HB2 LYS 39 HB2 LYS 39 24.055 22.933 -0.801 321 HB3 LYS 39 HB3 LYS 39 24.086 23.683 0.790 322 HG2 LYS 39 HG2 LYS 39 21.748 23.264 -1.038 323 HG3 LYS 39 HG3 LYS 39 21.970 22.711 0.624 324 HD2 LYS 39 HD2 LYS 39 22.178 25.403 0.930 325 HD3 LYS 39 HD3 LYS 39 21.022 25.297 -0.401 326 HE2 LYS 39 HE2 LYS 39 20.459 23.398 1.728 327 HE3 LYS 39 HE3 LYS 39 20.449 25.068 2.293 328 HZ1 LYS 39 HZ1 LYS 39 19.058 25.224 -0.009 329 HZ2 LYS 39 HZ2 LYS 39 18.365 25.075 1.527 330 HZ3 LYS 39 HZ3 LYS 39 18.591 23.702 0.565 331 H ASP 40 H ASP 40 25.357 24.573 -2.934 332 HA ASP 40 HA ASP 40 27.935 24.285 -1.805 333 HB2 ASP 40 HB2 ASP 40 26.845 24.498 -4.579 334 HB3 ASP 40 HB3 ASP 40 28.580 24.682 -4.338 335 H PHE 41 H PHE 41 26.083 27.021 -2.468 336 HA PHE 41 HA PHE 41 28.452 28.745 -2.688 337 HB2 PHE 41 HB2 PHE 41 26.815 29.128 -4.432 338 HB3 PHE 41 HB3 PHE 41 25.534 29.313 -3.238 339 HD1 PHE 41 HD1 PHE 41 28.936 30.761 -3.779 340 HD2 PHE 41 HD2 PHE 41 24.814 31.466 -2.983 341 HE1 PHE 41 HE1 PHE 41 29.369 33.182 -3.700 342 HE2 PHE 41 HE2 PHE 41 25.241 33.888 -2.903 343 HZ PHE 41 HZ PHE 41 27.520 34.748 -3.263 344 H ASN 42 H ASN 42 25.307 29.688 -1.440 345 HA ASN 42 HA ASN 42 25.788 29.522 1.292 346 HB2 ASN 42 HB2 ASN 42 27.594 31.256 0.373 347 HB3 ASN 42 HB3 ASN 42 26.240 32.369 0.541 348 HD21 ASN 42 HD21 ASN 42 25.019 31.197 2.775 349 H ARG 43 H ARG 43 23.910 29.873 2.307 350 HA ARG 43 HA ARG 43 21.923 31.606 0.997 351 HB2 ARG 43 HB2 ARG 43 21.656 28.958 0.951 352 HB3 ARG 43 HB3 ARG 43 20.999 29.243 2.557 353 HG2 ARG 43 HG2 ARG 43 20.012 30.722 0.140 354 HG3 ARG 43 HG3 ARG 43 19.351 29.163 0.635 355 HD2 ARG 43 HD2 ARG 43 18.638 30.050 2.733 356 HD3 ARG 43 HD3 ARG 43 19.505 31.559 2.451 357 HE ARG 43 HE ARG 43 17.484 30.965 0.485 358 HH11 ARG 43 HH11 ARG 43 18.175 32.467 3.549 359 HH12 ARG 43 HH12 ARG 43 16.819 33.543 3.473 360 HH21 ARG 43 HH21 ARG 43 15.697 32.377 0.374 361 HH22 ARG 43 HH22 ARG 43 15.410 33.491 1.668 362 H SER 44 H SER 44 21.945 29.735 4.021 363 HA SER 44 HA SER 44 21.281 30.360 6.127 364 HB2 SER 44 HB2 SER 44 23.704 30.979 6.003 365 HB3 SER 44 HB3 SER 44 23.218 32.622 5.586 366 HG SER 44 HG SER 44 23.481 32.631 7.760 367 H LYS 45 H LYS 45 21.392 33.103 7.166 368 HA LYS 45 HA LYS 45 18.793 33.876 7.057 369 HB2 LYS 45 HB2 LYS 45 20.952 35.968 7.061 370 HB3 LYS 45 HB3 LYS 45 19.433 35.953 7.948 371 HG2 LYS 45 HG2 LYS 45 21.879 34.286 8.487 372 HG3 LYS 45 HG3 LYS 45 21.208 35.573 9.492 373 HD2 LYS 45 HD2 LYS 45 20.003 34.046 10.570 374 HD3 LYS 45 HD3 LYS 45 19.130 33.721 9.070 375 HE2 LYS 45 HE2 LYS 45 20.418 31.882 8.563 376 HE3 LYS 45 HE3 LYS 45 21.794 32.454 9.504 377 HZ1 LYS 45 HZ1 LYS 45 20.739 31.844 11.507 378 HZ2 LYS 45 HZ2 LYS 45 20.549 30.525 10.467 379 HZ3 LYS 45 HZ3 LYS 45 19.252 31.573 10.746 380 H ALA 46 H ALA 46 21.290 35.558 5.139 381 HA ALA 46 HA ALA 46 19.938 35.404 2.687 382 HB1 ALA 46 HB1 ALA 46 18.701 37.201 4.414 383 HB2 ALA 46 HB2 ALA 46 19.647 38.206 3.316 384 HB3 ALA 46 HB3 ALA 46 18.464 37.068 2.671 385 H LEU 47 H LEU 47 22.604 35.293 3.816 386 HA LEU 47 HA LEU 47 24.736 35.889 3.297 387 HB2 LEU 47 HB2 LEU 47 23.444 37.259 0.944 388 HB3 LEU 47 HB3 LEU 47 25.150 36.844 1.100 389 HG LEU 47 HG LEU 47 23.929 34.411 1.408 390 HD11 LEU 47 HD11 LEU 47 21.780 34.793 0.785 391 HD12 LEU 47 HD12 LEU 47 22.483 34.537 -0.812 392 HD13 LEU 47 HD13 LEU 47 22.199 36.176 -0.227 393 HD21 LEU 47 HD21 LEU 47 25.901 34.851 0.073 394 HD22 LEU 47 HD22 LEU 47 24.933 35.721 -1.117 395 HD23 LEU 47 HD23 LEU 47 24.702 33.987 -0.890 396 H PHE 48 H PHE 48 26.187 37.855 2.819 397 HA PHE 48 HA PHE 48 25.008 40.261 4.042 398 HB2 PHE 48 HB2 PHE 48 27.066 40.638 5.272 399 HB3 PHE 48 HB3 PHE 48 26.451 39.031 5.644 400 HD1 PHE 48 HD2 PHE 48 27.478 37.052 4.419 401 HD2 PHE 48 HD1 PHE 48 29.232 40.929 4.476 402 HE1 PHE 48 HE2 PHE 48 29.646 36.076 3.791 403 HE2 PHE 48 HE1 PHE 48 31.404 39.960 3.847 404 HZ PHE 48 HZ PHE 48 31.613 37.530 3.505 405 H SER 49 H SER 49 26.161 42.269 3.548 406 HA SER 49 HA SER 49 28.146 42.509 1.595 407 HB2 SER 49 HB2 SER 49 25.771 41.689 0.432 408 HB3 SER 49 HB3 SER 49 25.756 43.435 0.191 409 HG SER 49 HG SER 49 27.314 43.243 -1.206 410 H GLN 50 H GLN 50 27.920 44.820 0.481 411 HA GLN 50 HA GLN 50 28.099 46.715 2.499 412 HB2 GLN 50 HB2 GLN 50 28.070 48.399 0.719 413 HB3 GLN 50 HB3 GLN 50 29.088 47.031 0.286 414 HG2 GLN 50 HG2 GLN 50 27.433 46.175 -1.201 415 HG3 GLN 50 HG3 GLN 50 26.248 47.354 -0.645 416 HE21 GLN 50 HE21 GLN 50 26.733 47.129 -3.292 417 HE22 GLN 50 HE22 GLN 50 27.594 48.513 -3.868 418 H SER 51 H SER 51 25.320 45.554 0.779 419 HA SER 51 HA SER 51 23.484 46.625 2.607 420 HB2 SER 51 HB2 SER 51 22.350 48.267 1.059 421 HB3 SER 51 HB3 SER 51 23.916 48.792 1.677 422 HG SER 51 HG SER 51 23.457 47.601 -0.860 423 H ALA 52 H ALA 52 23.700 44.138 1.730 424 HA ALA 52 HA ALA 52 22.415 43.313 -0.566 425 HB1 ALA 52 HB1 ALA 52 22.012 41.834 2.005 426 HB2 ALA 52 HB2 ALA 52 22.285 41.200 0.381 427 HB3 ALA 52 HB3 ALA 52 23.613 41.945 1.272 428 H ILE 53 H ILE 53 20.908 43.643 2.654 429 HA ILE 53 HA ILE 53 18.362 44.226 1.294 430 HB ILE 53 HB ILE 53 17.281 43.085 3.338 431 HG12 ILE 53 HG12 ILE 53 19.640 41.292 3.408 432 HG13 ILE 53 HG13 ILE 53 19.819 42.839 4.227 433 HG21 ILE 53 HG21 ILE 53 18.695 41.352 1.317 434 HG22 ILE 53 HG22 ILE 53 17.218 40.964 2.199 435 HG23 ILE 53 HG23 ILE 53 17.216 42.261 1.004 436 HD11 ILE 53 HD11 ILE 53 17.359 41.913 5.078 437 HD12 ILE 53 HD12 ILE 53 18.378 40.474 5.036 438 HD13 ILE 53 HD13 ILE 53 18.872 41.879 5.982 439 H SER 54 H SER 54 17.408 46.043 1.941 440 HA SER 54 HA SER 54 18.571 47.893 3.625 441 HB2 SER 54 HB2 SER 54 16.125 47.668 2.151 442 HB3 SER 54 HB3 SER 54 15.766 48.323 3.749 443 HG SER 54 HG SER 54 17.723 49.723 3.202 444 H GLN 55 H GLN 55 17.978 48.685 5.719 445 HA GLN 55 HA GLN 55 17.201 46.517 7.526 446 HB2 GLN 55 HB2 GLN 55 19.196 48.501 7.630 447 HB3 GLN 55 HB3 GLN 55 18.030 48.919 8.879 448 HG2 GLN 55 HG2 GLN 55 18.265 46.746 9.890 449 HG3 GLN 55 HG3 GLN 55 19.328 46.221 8.586 450 HE21 GLN 55 HE21 GLN 55 19.019 48.467 11.271 451 HE22 GLN 55 HE22 GLN 55 20.713 48.655 11.551 452 H LYS 56 H LYS 56 15.751 49.017 5.966 453 HA LYS 56 HA LYS 56 14.039 49.866 8.160 454 HB2 LYS 56 HB2 LYS 56 13.756 50.628 5.257 455 HB3 LYS 56 HB3 LYS 56 13.160 51.492 6.667 456 HG2 LYS 56 HG2 LYS 56 15.412 52.078 7.310 457 HG3 LYS 56 HG3 LYS 56 16.067 51.123 5.978 458 HD2 LYS 56 HD2 LYS 56 14.996 52.594 4.367 459 HD3 LYS 56 HD3 LYS 56 14.260 53.522 5.676 460 HE2 LYS 56 HE2 LYS 56 16.697 53.857 6.480 461 HE3 LYS 56 HE3 LYS 56 17.133 53.374 4.842 462 HZ1 LYS 56 HZ1 LYS 56 15.115 55.473 5.209 463 HZ2 LYS 56 HZ2 LYS 56 16.215 55.248 3.944 464 HZ3 LYS 56 HZ3 LYS 56 16.746 55.867 5.426 465 H GLU 57 H GLU 57 12.337 48.688 8.711 466 HA GLU 57 HA GLU 57 10.512 47.334 8.610 467 HB2 GLU 57 HB2 GLU 57 10.374 48.141 5.701 468 HB3 GLU 57 HB3 GLU 57 9.061 47.510 6.685 469 HG2 GLU 57 HG2 GLU 57 10.192 49.847 7.913 470 HG3 GLU 57 HG3 GLU 57 9.732 50.183 6.245 471 H TYR 58 H TYR 58 13.280 46.433 7.690 472 HA TYR 58 HA TYR 58 12.381 43.905 6.481 473 HB2 TYR 58 HB2 TYR 58 14.437 45.782 5.547 474 HB3 TYR 58 HB3 TYR 58 14.984 44.112 5.642 475 HD1 TYR 58 HD1 TYR 58 13.504 42.336 4.485 476 HD2 TYR 58 HD2 TYR 58 13.229 46.508 3.692 477 HE1 TYR 58 HE1 TYR 58 12.407 41.850 2.338 478 HE2 TYR 58 HE2 TYR 58 12.131 46.033 1.543 479 HH TYR 58 HH TYR 58 11.368 44.469 0.172 480 H ASP 59 H ASP 59 12.858 42.183 7.663 481 HA ASP 59 HA ASP 59 15.127 42.342 9.536 482 HB2 ASP 59 HB2 ASP 59 12.410 42.109 10.208 483 HB3 ASP 59 HB3 ASP 59 13.092 40.501 10.439 484 H SER 60 H SER 60 15.164 39.793 10.474 485 HA SER 60 HA SER 60 16.018 38.322 8.103 486 HB2 SER 60 HB2 SER 60 16.522 36.876 10.521 487 HB3 SER 60 HB3 SER 60 17.684 37.631 9.430 488 HG SER 60 HG SER 60 18.032 38.896 11.075 489 H SER 61 H SER 61 13.505 38.342 10.454 490 HA SER 61 HA SER 61 12.695 35.708 10.570 491 HB2 SER 61 HB2 SER 61 10.801 36.509 11.548 492 HB3 SER 61 HB3 SER 61 11.691 38.031 11.530 493 HG SER 61 HG SER 61 10.217 38.777 10.251 494 H LEU 62 H LEU 62 12.253 38.040 7.990 495 HA LEU 62 HA LEU 62 10.526 36.271 6.479 496 HB2 LEU 62 HB2 LEU 62 10.496 38.029 4.815 497 HB3 LEU 62 HB3 LEU 62 10.161 38.683 6.417 498 HG LEU 62 HG LEU 62 12.892 39.019 6.133 499 HD11 LEU 62 HD11 LEU 62 13.179 38.689 3.894 500 HD12 LEU 62 HD12 LEU 62 12.747 40.398 3.890 501 HD13 LEU 62 HD13 LEU 62 11.533 39.182 3.496 502 HD21 LEU 62 HD21 LEU 62 11.643 40.685 7.171 503 HD22 LEU 62 HD22 LEU 62 10.515 40.817 5.821 504 HD23 LEU 62 HD23 LEU 62 12.158 41.440 5.662 505 H ALA 63 H ALA 63 13.881 37.263 6.535 506 HA ALA 63 HA ALA 63 14.419 35.548 4.203 507 HB1 ALA 63 HB1 ALA 63 15.410 37.483 3.571 508 HB2 ALA 63 HB2 ALA 63 15.661 38.027 5.229 509 HB3 ALA 63 HB3 ALA 63 16.744 36.829 4.520 510 H THR 64 H THR 64 14.550 33.553 5.183 511 HA THR 64 HA THR 64 16.987 33.056 6.679 512 HB THR 64 HB THR 64 14.821 31.619 7.972 513 HG1 THR 64 HG1 THR 64 14.107 33.587 9.114 514 HG21 THR 64 HG21 THR 64 15.956 32.312 9.973 515 HG22 THR 64 HG22 THR 64 16.822 33.578 9.100 516 HG23 THR 64 HG23 THR 64 17.174 31.881 8.772 517 H LEU 65 H LEU 65 16.581 30.467 7.433 518 HA LEU 65 HA LEU 65 16.312 29.139 4.834 519 HB2 LEU 65 HB2 LEU 65 17.303 27.220 6.422 520 HB3 LEU 65 HB3 LEU 65 18.302 28.383 5.554 521 HG LEU 65 HG LEU 65 18.420 29.758 7.606 522 HD11 LEU 65 HD11 LEU 65 17.613 28.970 9.693 523 HD12 LEU 65 HD12 LEU 65 17.145 27.417 9.001 524 HD13 LEU 65 HD13 LEU 65 16.267 28.879 8.554 525 HD21 LEU 65 HD21 LEU 65 19.782 28.040 8.930 526 HD22 LEU 65 HD22 LEU 65 20.281 28.385 7.274 527 HD23 LEU 65 HD23 LEU 65 19.375 26.914 7.636 528 H ASP 66 H ASP 66 13.986 29.167 4.905 529 HA ASP 66 HA ASP 66 12.357 28.145 6.877 530 HB2 ASP 66 HB2 ASP 66 12.121 28.734 4.060 531 HB3 ASP 66 HB3 ASP 66 11.220 27.274 4.459 532 H HIS 67 H HIS 67 11.078 26.053 6.727 533 HA HIS 67 HA HIS 67 12.785 23.804 5.912 534 HB2 HIS 67 HB2 HIS 67 11.237 23.737 8.491 535 HB3 HIS 67 HB3 HIS 67 12.553 22.689 7.972 536 HD1 HIS 67 HD1 HIS 67 11.982 25.177 10.339 537 HD2 HIS 67 HD2 HIS 67 15.014 24.549 7.570 538 HE1 HIS 67 HE1 HIS 67 13.950 26.495 11.186 539 H THR 68 H THR 68 11.719 21.985 5.196 540 HA THR 68 HA THR 68 8.805 22.277 4.865 541 HB THR 68 HB THR 68 10.784 20.830 3.094 542 HG1 THR 68 HG1 THR 68 9.257 23.212 2.781 543 HG21 THR 68 HG21 THR 68 8.287 21.112 1.824 544 HG22 THR 68 HG22 THR 68 7.957 20.463 3.430 545 HG23 THR 68 HG23 THR 68 9.068 19.621 2.349 546 H GLU 69 H GLU 69 7.898 21.095 6.451 547 HA GLU 69 HA GLU 69 9.030 18.670 7.444 548 HB2 GLU 69 HB2 GLU 69 6.167 19.514 7.833 549 HB3 GLU 69 HB3 GLU 69 7.190 18.579 8.916 550 HG2 GLU 69 HG2 GLU 69 8.568 20.589 9.297 551 HG3 GLU 69 HG3 GLU 69 7.456 21.510 8.286 552 H ILE 70 H ILE 70 8.820 16.673 6.683 553 HA ILE 70 HA ILE 70 7.123 16.191 4.386 554 HB ILE 70 HB ILE 70 9.054 14.371 5.828 555 HG12 ILE 70 HG12 ILE 70 10.215 14.715 3.488 556 HG13 ILE 70 HG13 ILE 70 9.250 16.187 3.455 557 HG21 ILE 70 HG21 ILE 70 7.218 13.931 3.526 558 HG22 ILE 70 HG22 ILE 70 8.796 13.145 3.519 559 HG23 ILE 70 HG23 ILE 70 7.666 12.840 4.838 560 HD11 ILE 70 HD11 ILE 70 11.614 16.373 4.337 561 HD12 ILE 70 HD12 ILE 70 10.336 17.065 5.336 562 HD13 ILE 70 HD13 ILE 70 11.039 15.505 5.761 563 H LYS 71 H LYS 71 5.023 15.933 4.875 564 HA LYS 71 HA LYS 71 4.249 14.348 7.198 565 HB2 LYS 71 HB2 LYS 71 1.949 15.092 6.636 566 HB3 LYS 71 HB3 LYS 71 3.061 16.430 6.891 567 HG2 LYS 71 HG2 LYS 71 3.215 15.936 4.171 568 HG3 LYS 71 HG3 LYS 71 1.505 15.732 4.556 569 HD2 LYS 71 HD2 LYS 71 1.680 18.005 4.086 570 HD3 LYS 71 HD3 LYS 71 1.761 17.951 5.849 571 HE2 LYS 71 HE2 LYS 71 3.445 19.461 4.950 572 HE3 LYS 71 HE3 LYS 71 4.201 18.077 5.739 573 HZ1 LYS 71 HZ1 LYS 71 5.268 17.637 3.867 574 HZ2 LYS 71 HZ2 LYS 71 4.552 18.970 3.115 575 HZ3 LYS 71 HZ3 LYS 71 3.807 17.453 3.036 576 H ALA 72 H ALA 72 2.543 12.703 6.958 577 HA ALA 72 HA ALA 72 3.217 10.869 4.851 578 HB1 ALA 72 HB1 ALA 72 1.948 10.735 7.422 579 HB2 ALA 72 HB2 ALA 72 0.975 9.891 6.215 580 HB3 ALA 72 HB3 ALA 72 2.663 9.443 6.458 581 HA PRO 73 HA PRO 73 0.087 11.935 1.949 582 HB2 PRO 73 HB2 PRO 73 -0.176 9.550 0.679 583 HB3 PRO 73 HB3 PRO 73 1.223 10.607 0.458 584 HG2 PRO 73 HG2 PRO 73 0.935 8.184 2.194 585 HG3 PRO 73 HG3 PRO 73 2.291 8.662 1.154 586 HD2 PRO 73 HD2 PRO 73 2.303 9.048 3.835 587 HD3 PRO 73 HD3 PRO 73 3.120 10.149 2.708 588 H PHE 74 H PHE 74 -0.347 8.990 3.864 589 HA PHE 74 HA PHE 74 -3.129 9.671 4.297 590 HB2 PHE 74 HB2 PHE 74 -3.743 7.215 3.699 591 HB3 PHE 74 HB3 PHE 74 -3.581 8.394 2.401 592 HD1 PHE 74 HD2 PHE 74 -1.992 5.537 4.076 593 HD2 PHE 74 HD1 PHE 74 -1.852 8.217 0.774 594 HE1 PHE 74 HE2 PHE 74 -0.326 4.095 2.981 595 HE2 PHE 74 HE1 PHE 74 -0.186 6.780 -0.328 596 HZ PHE 74 HZ PHE 74 0.580 4.716 0.777 597 H ASP 75 H ASP 75 -4.153 8.204 5.902 598 HA ASP 75 HA ASP 75 -2.338 7.734 8.070 599 HB2 ASP 75 HB2 ASP 75 -4.303 7.186 9.363 600 HB3 ASP 75 HB3 ASP 75 -4.655 8.603 8.378 601 H GLY 76 H GLY 76 -2.437 5.653 9.331 602 HA2 GLY 76 HA2 GLY 76 -3.144 3.208 8.868 603 HA3 GLY 76 HA3 GLY 76 -2.144 3.420 7.439 604 H THR 77 H THR 77 -0.517 2.021 7.869 605 HA THR 77 HA THR 77 0.887 2.283 10.436 606 HB THR 77 HB THR 77 1.023 0.079 8.370 607 HG1 THR 77 HG1 THR 77 0.159 -1.029 10.408 608 HG21 THR 77 HG21 THR 77 2.419 0.386 11.029 609 HG22 THR 77 HG22 THR 77 3.171 0.278 9.438 610 HG23 THR 77 HG23 THR 77 2.338 -1.121 10.115 611 H ILE 78 H ILE 78 2.967 2.941 10.551 612 HA ILE 78 HA ILE 78 4.229 3.784 8.033 613 HB ILE 78 HB ILE 78 3.906 5.619 9.558 614 HG12 ILE 78 HG12 ILE 78 6.801 5.122 10.005 615 HG13 ILE 78 HG13 ILE 78 6.236 5.065 8.338 616 HG21 ILE 78 HG21 ILE 78 3.682 4.486 11.647 617 HG22 ILE 78 HG22 ILE 78 5.338 3.887 11.563 618 HG23 ILE 78 HG23 ILE 78 5.034 5.609 11.791 619 HD11 ILE 78 HD11 ILE 78 5.436 7.308 8.465 620 HD12 ILE 78 HD12 ILE 78 5.753 7.376 10.198 621 HD13 ILE 78 HD13 ILE 78 7.096 7.276 9.059 622 H GLY 79 H GLY 79 6.330 3.223 7.537 623 HA2 GLY 79 HA2 GLY 79 7.280 0.780 8.732 624 HA3 GLY 79 HA3 GLY 79 8.012 1.637 7.383 625 H ASP 80 H ASP 80 10.073 1.231 8.336 626 HA ASP 80 HA ASP 80 10.633 2.763 10.779 627 HB2 ASP 80 HB2 ASP 80 12.879 1.456 10.577 628 HB3 ASP 80 HB3 ASP 80 11.441 0.613 11.148 629 H ALA 81 H ALA 81 13.156 3.434 10.679 630 HA ALA 81 HA ALA 81 13.264 5.387 8.533 631 HB1 ALA 81 HB1 ALA 81 15.492 5.884 9.951 632 HB2 ALA 81 HB2 ALA 81 13.902 6.517 10.380 633 HB3 ALA 81 HB3 ALA 81 14.522 5.074 11.182 634 H LEU 82 H LEU 82 15.064 5.664 7.147 635 HA LEU 82 HA LEU 82 16.647 3.211 6.754 636 HB2 LEU 82 HB2 LEU 82 15.288 5.048 4.860 637 HB3 LEU 82 HB3 LEU 82 16.817 4.334 4.352 638 HG LEU 82 HG LEU 82 15.920 2.130 4.482 639 HD11 LEU 82 HD11 LEU 82 13.626 3.457 5.881 640 HD12 LEU 82 HD12 LEU 82 14.611 2.094 6.411 641 HD13 LEU 82 HD13 LEU 82 13.447 1.884 5.103 642 HD21 LEU 82 HD21 LEU 82 14.297 4.180 3.058 643 HD22 LEU 82 HD22 LEU 82 13.740 2.506 3.061 644 HD23 LEU 82 HD23 LEU 82 15.330 2.906 2.409 645 H VAL 83 H VAL 83 16.702 6.742 6.359 646 HA VAL 83 HA VAL 83 19.639 6.658 6.437 647 HB VAL 83 HB VAL 83 19.607 8.924 5.546 648 HG11 VAL 83 HG11 VAL 83 19.237 6.745 4.124 649 HG12 VAL 83 HG12 VAL 83 17.673 7.492 3.792 650 HG13 VAL 83 HG13 VAL 83 19.162 8.340 3.375 651 HG21 VAL 83 HG21 VAL 83 17.047 9.422 4.691 652 HG22 VAL 83 HG22 VAL 83 16.795 8.767 6.309 653 HG23 VAL 83 HG23 VAL 83 17.830 10.176 6.079 654 H ASN 84 H ASN 84 20.383 9.016 7.353 655 HA ASN 84 HA ASN 84 19.236 9.145 10.063 656 HB2 ASN 84 HB2 ASN 84 22.045 9.853 9.184 657 HB3 ASN 84 HB3 ASN 84 21.436 9.880 10.837 658 HD21 ASN 84 HD21 ASN 84 22.150 7.800 8.100 659 HD22 ASN 84 HD22 ASN 84 22.389 6.358 9.021 660 H ILE 85 H ILE 85 20.175 11.426 11.043 661 HA ILE 85 HA ILE 85 18.767 13.428 9.472 662 HB ILE 85 HB ILE 85 19.915 13.548 12.261 663 HG12 ILE 85 HG12 ILE 85 17.077 13.339 11.235 664 HG13 ILE 85 HG13 ILE 85 17.975 12.086 12.086 665 HG21 ILE 85 HG21 ILE 85 18.288 15.588 10.751 666 HG22 ILE 85 HG22 ILE 85 18.681 15.671 12.467 667 HG23 ILE 85 HG23 ILE 85 19.966 15.752 11.264 668 HD11 ILE 85 HD11 ILE 85 16.397 13.158 13.566 669 HD12 ILE 85 HD12 ILE 85 18.049 13.517 14.074 670 HD13 ILE 85 HD13 ILE 85 17.105 14.735 13.216 671 H GLY 86 H GLY 86 19.649 15.403 8.820 672 HA2 GLY 86 HA2 GLY 86 21.319 16.942 8.326 673 HA3 GLY 86 HA3 GLY 86 22.451 15.966 9.250 674 H ASP 87 H ASP 87 20.654 14.227 6.940 675 HA ASP 87 HA ASP 87 23.042 14.026 5.252 676 HB2 ASP 87 HB2 ASP 87 21.244 12.111 6.261 677 HB3 ASP 87 HB3 ASP 87 20.932 12.193 4.528 678 H TYR 88 H TYR 88 23.089 14.739 3.208 679 HA TYR 88 HA TYR 88 21.132 16.496 2.237 680 HB2 TYR 88 HB2 TYR 88 23.444 16.645 1.504 681 HB3 TYR 88 HB3 TYR 88 23.344 15.052 0.763 682 HD1 TYR 88 HD2 TYR 88 21.946 18.491 0.565 683 HD2 TYR 88 HD1 TYR 88 22.655 14.818 -1.463 684 HE1 TYR 88 HE2 TYR 88 21.229 19.526 -1.547 685 HE2 TYR 88 HE1 TYR 88 21.940 15.843 -3.581 686 HH TYR 88 HH TYR 88 20.745 17.654 -4.440 687 H VAL 89 H VAL 89 19.242 16.136 1.296 688 HA VAL 89 HA VAL 89 18.706 13.459 0.194 689 HB VAL 89 HB VAL 89 16.268 14.179 0.422 690 HG11 VAL 89 HG11 VAL 89 16.210 12.988 2.318 691 HG12 VAL 89 HG12 VAL 89 17.960 12.874 2.125 692 HG13 VAL 89 HG13 VAL 89 17.265 14.114 3.169 693 HG21 VAL 89 HG21 VAL 89 16.888 15.988 2.610 694 HG22 VAL 89 HG22 VAL 89 17.398 16.621 1.044 695 HG23 VAL 89 HG23 VAL 89 15.716 16.156 1.303 696 H SER 90 H SER 90 17.318 13.329 -1.698 697 HA SER 90 HA SER 90 17.502 15.709 -3.425 698 HB2 SER 90 HB2 SER 90 18.578 13.029 -3.834 699 HB3 SER 90 HB3 SER 90 17.532 13.539 -5.158 700 HG SER 90 HG SER 90 19.523 14.308 -5.657 701 H ALA 91 H ALA 91 15.344 16.241 -2.914 702 HA ALA 91 HA ALA 91 13.063 16.160 -3.051 703 HB1 ALA 91 HB1 ALA 91 14.100 16.145 -5.528 704 HB2 ALA 91 HB2 ALA 91 13.151 14.659 -5.590 705 HB3 ALA 91 HB3 ALA 91 12.367 16.191 -5.199 706 H SER 92 H SER 92 11.478 14.203 -4.492 707 HA SER 92 HA SER 92 10.992 12.379 -2.409 708 HB2 SER 92 HB2 SER 92 9.715 13.137 -4.794 709 HB3 SER 92 HB3 SER 92 9.996 11.402 -4.942 710 HG SER 92 HG SER 92 8.406 12.807 -3.133 711 H THR 93 H THR 93 13.331 12.364 -4.853 712 HA THR 93 HA THR 93 13.617 9.650 -5.443 713 HB THR 93 HB THR 93 16.008 11.446 -5.157 714 HG1 THR 93 HG1 THR 93 15.410 12.587 -6.904 715 HG21 THR 93 HG21 THR 93 15.857 10.044 -7.624 716 HG22 THR 93 HG22 THR 93 15.468 8.910 -6.331 717 HG23 THR 93 HG23 THR 93 16.988 9.801 -6.293 718 H THR 94 H THR 94 14.564 11.493 -2.638 719 HA THR 94 HA THR 94 16.229 9.368 -1.579 720 HB THR 94 HB THR 94 15.407 12.064 -0.510 721 HG1 THR 94 HG1 THR 94 17.683 10.917 -1.656 722 HG21 THR 94 HG21 THR 94 16.402 9.720 0.953 723 HG22 THR 94 HG22 THR 94 15.598 11.172 1.549 724 HG23 THR 94 HG23 THR 94 17.329 11.197 1.216 725 H GLU 95 H GLU 95 15.132 7.599 -0.956 726 HA GLU 95 HA GLU 95 12.604 7.893 0.477 727 HB2 GLU 95 HB2 GLU 95 12.621 5.343 0.313 728 HB3 GLU 95 HB3 GLU 95 12.451 6.241 -1.190 729 HG2 GLU 95 HG2 GLU 95 14.598 5.730 -1.891 730 HG3 GLU 95 HG3 GLU 95 15.145 5.343 -0.261 731 H LEU 96 H LEU 96 12.733 8.177 2.601 732 HA LEU 96 HA LEU 96 14.897 6.853 4.085 733 HB2 LEU 96 HB2 LEU 96 13.961 8.490 5.918 734 HB3 LEU 96 HB3 LEU 96 15.091 9.038 4.683 735 HG LEU 96 HG LEU 96 13.202 10.604 5.156 736 HD11 LEU 96 HD11 LEU 96 13.590 11.371 3.114 737 HD12 LEU 96 HD12 LEU 96 12.624 10.081 2.399 738 HD13 LEU 96 HD13 LEU 96 14.341 9.828 2.710 739 HD21 LEU 96 HD21 LEU 96 11.421 8.821 3.568 740 HD22 LEU 96 HD22 LEU 96 11.010 10.096 4.714 741 HD23 LEU 96 HD23 LEU 96 11.589 8.535 5.300 742 H VAL 97 H VAL 97 11.493 6.921 3.613 743 HA VAL 97 HA VAL 97 11.155 4.646 5.352 744 HB VAL 97 HB VAL 97 10.906 6.658 6.864 745 HG11 VAL 97 HG11 VAL 97 9.200 8.173 6.630 746 HG12 VAL 97 HG12 VAL 97 9.581 7.856 4.936 747 HG13 VAL 97 HG13 VAL 97 8.197 7.066 5.694 748 HG21 VAL 97 HG21 VAL 97 8.267 5.355 6.905 749 HG22 VAL 97 HG22 VAL 97 9.652 4.264 6.887 750 HG23 VAL 97 HG23 VAL 97 9.497 5.471 8.164 751 H ARG 98 H ARG 98 9.051 3.644 5.125 752 HA ARG 98 HA ARG 98 7.573 4.537 2.741 753 HB2 ARG 98 HB2 ARG 98 7.348 2.266 1.982 754 HB3 ARG 98 HB3 ARG 98 9.055 2.595 2.241 755 HG2 ARG 98 HG2 ARG 98 7.413 1.305 4.381 756 HG3 ARG 98 HG3 ARG 98 8.072 0.356 3.046 757 HD2 ARG 98 HD2 ARG 98 10.288 1.641 3.716 758 HD3 ARG 98 HD3 ARG 98 9.468 1.746 5.273 759 HE ARG 98 HE ARG 98 9.437 -0.905 4.222 760 HH11 ARG 98 HH11 ARG 98 11.410 1.423 5.897 761 HH12 ARG 98 HH12 ARG 98 12.388 0.226 6.679 762 HH21 ARG 98 HH21 ARG 98 10.718 -2.491 5.246 763 HH22 ARG 98 HH22 ARG 98 11.995 -2.000 6.308 764 H VAL 99 H VAL 99 5.345 3.972 2.676 765 HA VAL 99 HA VAL 99 4.211 3.459 5.345 766 HB VAL 99 HB VAL 99 3.692 5.677 4.318 767 HG11 VAL 99 HG11 VAL 99 2.064 4.062 2.359 768 HG12 VAL 99 HG12 VAL 99 2.182 5.821 2.447 769 HG13 VAL 99 HG13 VAL 99 3.588 4.864 1.977 770 HG21 VAL 99 HG21 VAL 99 1.039 4.472 4.388 771 HG22 VAL 99 HG22 VAL 99 2.066 3.971 5.732 772 HG23 VAL 99 HG23 VAL 99 1.761 5.684 5.447 773 H THR 100 H THR 100 2.834 1.800 5.651 774 HA THR 100 HA THR 100 1.812 0.363 3.302 775 HB THR 100 HB THR 100 3.840 -0.814 4.112 776 HG1 THR 100 HG1 THR 100 2.634 -2.359 3.292 777 HG21 THR 100 HG21 THR 100 3.665 -0.213 6.487 778 HG22 THR 100 HG22 THR 100 3.791 -1.958 6.270 779 HG23 THR 100 HG23 THR 100 2.229 -1.225 6.634 780 H ASN 101 H ASN 101 0.142 -1.313 3.988 781 HA ASN 101 HA ASN 101 -1.923 -1.711 4.859 782 HB2 ASN 101 HB2 ASN 101 -0.107 -1.598 7.005 783 HB3 ASN 101 HB3 ASN 101 -1.524 -0.696 7.533 784 HD21 ASN 101 HD21 ASN 101 -2.470 -2.067 8.901 785 HD22 ASN 101 HD22 ASN 101 -2.983 -3.668 8.504 786 H LEU 102 H LEU 102 -3.515 -0.488 6.700 787 HA LEU 102 HA LEU 102 -3.555 2.349 6.458 788 HB2 LEU 102 HB2 LEU 102 -4.434 1.129 4.208 789 HB3 LEU 102 HB3 LEU 102 -5.936 1.242 5.124 790 HG LEU 102 HG LEU 102 -5.848 3.135 3.704 791 HD11 LEU 102 HD11 LEU 102 -5.749 5.003 5.300 792 HD12 LEU 102 HD12 LEU 102 -4.992 3.936 6.482 793 HD13 LEU 102 HD13 LEU 102 -6.640 3.621 5.941 794 HD21 LEU 102 HD21 LEU 102 -3.855 4.748 3.986 795 HD22 LEU 102 HD22 LEU 102 -3.647 3.312 2.985 796 HD23 LEU 102 HD23 LEU 102 -3.006 3.342 4.628 797 H ASN 103 H ASN 103 -5.971 -0.276 6.605 798 HA ASN 103 HA ASN 103 -7.511 0.983 8.618 799 HB2 ASN 103 HB2 ASN 103 -8.588 -1.290 8.833 800 HB3 ASN 103 HB3 ASN 103 -8.590 -0.617 7.205 801 HD21 ASN 103 HD21 ASN 103 -8.998 -2.952 6.768 802 HD22 ASN 103 HD22 ASN 103 -7.620 -3.963 6.514 803 HA PRO 104 HA PRO 104 -5.444 -0.075 12.342 804 HB2 PRO 104 HB2 PRO 104 -7.539 -0.458 14.026 805 HB3 PRO 104 HB3 PRO 104 -7.054 1.139 13.444 806 HG2 PRO 104 HG2 PRO 104 -9.252 -0.646 12.470 807 HG3 PRO 104 HG3 PRO 104 -9.271 1.107 12.741 808 HD2 PRO 104 HD2 PRO 104 -8.984 0.017 10.279 809 HD3 PRO 104 HD3 PRO 104 -8.225 1.556 10.736 810 H ILE 105 H ILE 105 -4.475 -2.058 11.830 811 HA ILE 105 HA ILE 105 -6.041 -4.475 12.418 812 HB ILE 105 HB ILE 105 -3.352 -4.304 11.057 813 HG12 ILE 105 HG12 ILE 105 -5.030 -3.199 9.684 814 HG13 ILE 105 HG13 ILE 105 -4.608 -4.751 8.969 815 HG21 ILE 105 HG21 ILE 105 -5.318 -6.552 11.439 816 HG22 ILE 105 HG22 ILE 105 -3.956 -6.618 10.322 817 HG23 ILE 105 HG23 ILE 105 -3.668 -6.447 12.053 818 HD11 ILE 105 HD11 ILE 105 -6.780 -5.240 10.668 819 HD12 ILE 105 HD12 ILE 105 -7.161 -3.765 9.780 820 HD13 ILE 105 HD13 ILE 105 -6.758 -5.243 8.906 821 H TYR 106 H TYR 106 -5.257 -6.048 13.837 822 HA TYR 106 HA TYR 106 -2.786 -5.724 15.245 823 HB2 TYR 106 HB2 TYR 106 -4.044 -5.570 17.510 824 HB3 TYR 106 HB3 TYR 106 -3.801 -4.098 16.575 825 HD1 TYR 106 HD2 TYR 106 -5.672 -2.993 15.485 826 HD2 TYR 106 HD1 TYR 106 -6.255 -6.545 17.753 827 HE1 TYR 106 HE2 TYR 106 -8.096 -2.568 15.516 828 HE2 TYR 106 HE1 TYR 106 -8.680 -6.132 17.789 829 HH TYR 106 HH TYR 106 -10.357 -4.925 16.765 830 H ALA 107 H ALA 107 -3.297 -7.858 13.906 831 HA ALA 107 HA ALA 107 -3.655 -9.911 15.906 832 HB1 ALA 107 HB1 ALA 107 -5.847 -10.149 15.469 833 HB2 ALA 107 HB2 ALA 107 -5.736 -9.316 13.918 834 HB3 ALA 107 HB3 ALA 107 -5.279 -11.015 14.041 835 H ASP 108 H ASP 108 -1.646 -10.710 15.533 836 HA ASP 108 HA ASP 108 -1.067 -11.650 12.800 837 HB2 ASP 108 HB2 ASP 108 0.452 -9.848 13.671 838 HB3 ASP 108 HB3 ASP 108 0.966 -10.968 14.930 839 H GLY 109 H GLY 109 -0.332 -13.731 12.511 840 HA2 GLY 109 HA2 GLY 109 -0.539 -15.464 14.891 841 HA3 GLY 109 HA3 GLY 109 -0.927 -15.970 13.254 842 H SER 110 H SER 110 1.553 -14.427 12.360 843 HA SER 110 HA SER 110 3.304 -16.656 12.316 844 HB2 SER 110 HB2 SER 110 3.329 -15.090 10.479 845 HB3 SER 110 HB3 SER 110 3.742 -13.759 11.560 846 HG SER 110 HG SER 110 5.748 -14.686 11.895 847 H HIS 111 H HIS 111 3.051 -13.825 14.345 848 HA HIS 111 HA HIS 111 5.572 -13.750 15.495 849 HB2 HIS 111 HB2 HIS 111 3.485 -12.214 15.831 850 HB3 HIS 111 HB3 HIS 111 3.125 -13.300 17.170 851 HD1 HIS 111 HD1 HIS 111 4.188 -10.163 17.084 852 HD2 HIS 111 HD2 HIS 111 6.178 -13.576 18.369 853 HE1 HIS 111 HE1 HIS 111 5.966 -9.350 18.667 854 H HIS 112 H HIS 112 6.686 -15.217 16.587 855 HA HIS 112 HA HIS 112 5.580 -17.677 17.440 856 HB2 HIS 112 HB2 HIS 112 8.194 -16.476 17.259 857 HB3 HIS 112 HB3 HIS 112 8.013 -17.296 18.807 858 HD1 HIS 112 HD1 HIS 112 6.974 -19.875 18.471 859 HD2 HIS 112 HD2 HIS 112 9.034 -18.137 15.309 860 HE1 HIS 112 HE1 HIS 112 7.666 -21.785 16.988 861 H HIS 113 H HIS 113 5.090 -18.453 19.470 862 HA HIS 113 HA HIS 113 4.177 -16.522 21.371 863 HB2 HIS 113 HB2 HIS 113 3.846 -19.357 20.894 864 HB3 HIS 113 HB3 HIS 113 4.138 -19.041 22.601 865 HD1 HIS 113 HD1 HIS 113 1.440 -19.416 20.392 866 HD2 HIS 113 HD2 HIS 113 2.307 -16.697 23.411 867 HE1 HIS 113 HE1 HIS 113 -0.772 -18.414 21.049 868 H HIS 114 H HIS 114 5.156 -15.768 23.145 869 HA HIS 114 HA HIS 114 7.895 -16.558 23.656 870 HB2 HIS 114 HB2 HIS 114 6.572 -14.160 23.816 871 HB3 HIS 114 HB3 HIS 114 6.660 -14.640 25.509 872 HD1 HIS 114 HD1 HIS 114 9.243 -14.937 22.724 873 HD2 HIS 114 HD2 HIS 114 8.778 -13.301 26.515 874 HE1 HIS 114 HE1 HIS 114 11.478 -13.945 23.307 875 H HIS 115 H HIS 115 8.236 -16.224 26.318 876 HA HIS 115 HA HIS 115 7.324 -18.709 27.364 877 HB2 HIS 115 HB2 HIS 115 9.340 -16.837 27.989 878 HB3 HIS 115 HB3 HIS 115 8.325 -16.959 29.423 879 HD1 HIS 115 HD1 HIS 115 8.097 -19.388 30.477 880 HD2 HIS 115 HD2 HIS 115 11.019 -18.965 27.554 881 HE1 HIS 115 HE1 HIS 115 9.584 -21.403 30.716 882 H HIS 116 H HIS 116 6.508 -15.325 28.019 883 HA HIS 116 HA HIS 116 4.609 -15.974 30.066 884 HB2 HIS 116 HB2 HIS 116 5.899 -13.781 29.816 885 HB3 HIS 116 HB3 HIS 116 4.751 -13.375 28.545 886 HD1 HIS 116 HD1 HIS 116 4.244 -11.351 30.299 887 HD2 HIS 116 HD2 HIS 116 2.968 -15.153 31.384 888 HE1 HIS 116 HE1 HIS 116 2.534 -10.995 32.107 889 H2 B6D 117 H2 B6D 117 28.026 30.425 4.534 890 H1 B6D 117 H1 B6D 117 24.969 30.665 4.791 891 H3 B6D 117 H3 B6D 117 26.092 29.216 6.571 892 HN2 B6D 117 HN2 B6D 117 26.080 28.212 4.293 893 H5 B6D 117 H5 B6D 117 25.284 31.667 7.143 894 H8 B6D 117 H22 B6D 117 27.770 26.475 2.038 895 H8A B6D 117 H21 B6D 117 26.786 27.538 1.005 896 H8B B6D 117 H23 B6D 117 26.103 26.879 2.516 897 H4 B6D 117 H4 B6D 117 28.310 31.299 6.867 898 HN4 B6D 117 HN4 B6D 117 26.648 29.895 8.852 899 H9 B6D 117 H43 B6D 117 27.214 31.602 11.441 900 H9A B6D 117 H41 B6D 117 27.294 29.875 11.007 901 H9B B6D 117 H42 B6D 117 28.772 30.728 11.517 902 H6 B6D 117 H62 B6D 117 25.664 33.786 7.900 903 H6A B6D 117 H63 B6D 117 27.312 33.241 8.268 904 H6B B6D 117 H61 B6D 117 26.973 34.056 6.734 905 H1 A2G 118 H1 A2G 118 26.922 27.698 8.015 906 H2 A2G 118 H2 A2G 118 28.636 25.979 8.583 907 H3 A2G 118 H3 A2G 118 30.305 27.485 6.508 908 H4 A2G 118 H4 A2G 118 30.356 25.368 5.321 909 H5 A2G 118 H5 A2G 118 28.554 26.755 4.801 910 H61 A2G 118 H61 A2G 118 27.837 23.886 4.721 911 H62 A2G 118 H62 A2G 118 28.028 25.075 3.424 912 H81 A2G 118 H81 A2G 118 29.543 28.836 11.958 913 H82 A2G 118 H82 A2G 118 30.638 29.436 10.687 914 H83 A2G 118 H83 A2G 118 31.222 28.227 11.856 915 HO3 A2G 118 HO3 A2G 118 31.829 25.723 7.146 916 HO6 A2G 118 HO6 A2G 118 25.795 24.715 5.143 917 HN2 A2G 118 HN2 A2G 118 29.251 28.822 8.925 918 H1 A2G 119 H1 A2G 119 29.656 23.093 5.010 919 H2 A2G 119 H2 A2G 119 29.298 20.887 6.116 920 H3 A2G 119 H3 A2G 119 28.828 22.617 8.596 921 H4 A2G 119 H4 A2G 119 30.704 21.401 9.540 922 H5 A2G 119 H5 A2G 119 31.266 23.334 8.361 923 H61 A2G 119 H61 A2G 119 33.437 21.580 7.260 924 H62 A2G 119 H62 A2G 119 33.232 21.833 8.999 925 H81 A2G 119 H81 A2G 119 24.705 21.507 6.175 926 H82 A2G 119 H82 A2G 119 24.874 20.442 4.756 927 H83 A2G 119 H83 A2G 119 25.353 22.154 4.638 928 HO3 A2G 119 HO3 A2G 119 27.326 20.907 8.471 929 HO6 A2G 119 HO6 A2G 119 33.509 24.041 8.714 930 HN2 A2G 119 HN2 A2G 119 27.149 22.893 6.243 931 H1 A2G 120 H1 A2G 120 32.477 19.704 9.402 932 H2 A2G 120 H2 A2G 120 32.821 17.321 8.758 933 H3 A2G 120 H3 A2G 120 30.700 17.963 6.650 934 H4 A2G 120 H4 A2G 120 29.409 16.208 7.717 935 H5 A2G 120 H5 A2G 120 29.102 18.344 8.602 936 H61 A2G 120 H61 A2G 120 29.258 16.882 11.217 937 H62 A2G 120 H62 A2G 120 28.088 16.436 9.967 938 H81 A2G 120 H81 A2G 120 35.241 19.934 6.086 939 H82 A2G 120 H82 A2G 120 34.204 20.867 4.978 940 H83 A2G 120 H83 A2G 120 34.708 19.217 4.536 941 HO6 A2G 120 HO6 A2G 120 26.936 18.042 10.687 942 HN2 A2G 120 HN2 A2G 120 34.358 18.302 7.460 943 H1 A2G 121 H1 A2G 121 29.017 14.698 9.559 944 H2 A2G 121 H2 A2G 121 29.999 12.933 11.021 945 H3 A2G 121 H3 A2G 121 32.627 14.336 10.328 946 H4 A2G 121 H4 A2G 121 33.280 12.194 9.392 947 H5 A2G 121 H5 A2G 121 32.186 13.631 7.916 948 H61 A2G 121 H61 A2G 121 30.638 11.870 6.503 949 H62 A2G 121 H62 A2G 121 31.690 10.801 7.441 950 H81 A2G 121 H81 A2G 121 30.218 16.030 14.157 951 H82 A2G 121 H82 A2G 121 28.719 15.294 14.778 952 H83 A2G 121 H83 A2G 121 28.627 16.578 13.546 953 HO3 A2G 121 HO3 A2G 121 32.960 13.796 12.361 954 HO6 A2G 121 HO6 A2G 121 32.695 11.430 5.478 955 HN2 A2G 121 HN2 A2G 121 30.986 15.536 11.988 956 H1 A2G 122 H1 A2G 122 32.881 9.906 8.837 957 H2 A2G 122 H2 A2G 122 31.907 7.750 9.626 958 H3 A2G 122 H3 A2G 122 30.031 9.591 11.190 959 H4 A2G 122 H4 A2G 122 30.930 8.490 13.157 960 H5 A2G 122 H5 A2G 122 32.107 10.375 12.451 961 H61 A2G 122 H61 A2G 122 34.479 8.626 13.023 962 H62 A2G 122 H62 A2G 122 33.260 8.990 14.252 963 H81 A2G 122 H81 A2G 122 28.777 7.863 6.594 964 H82 A2G 122 H82 A2G 122 30.037 7.729 5.339 965 H83 A2G 122 H83 A2G 122 29.568 9.335 5.953 966 HO3 A2G 122 HO3 A2G 122 29.268 7.389 11.885 967 HO6 A2G 122 HO6 A2G 122 34.049 10.935 14.434 968 HN2 A2G 122 HN2 A2G 122 29.613 9.276 8.642 969 H2 BGC 123 H2 BGC 123 32.500 14.347 4.882 970 H3 BGC 123 H3 BGC 123 30.599 14.795 2.546 971 H4 BGC 123 H4 BGC 123 30.214 12.571 4.619 972 H5 BGC 123 H5 BGC 123 28.583 15.139 4.239 973 H6C1 BGC 123 H61 BGC 123 26.871 14.161 5.371 974 H6C2 BGC 123 H62 BGC 123 27.731 12.610 5.329 975 H1 BGC 123 H1 BGC 123 30.474 16.640 4.828 976 HB BGC 123 HO2 BGC 123 33.394 16.144 4.073 977 HC BGC 123 HO3 BGC 123 31.398 12.627 2.134 978 HD BGC 123 HO4 BGC 123 29.243 11.934 2.793 979 H6 BGC 123 HO6 BGC 123 27.813 14.646 7.321 Start of MODEL 6 1 H1 ASP 1 H ASP 1 3.718 -0.879 -0.021 2 HA ASP 1 HA ASP 1 1.811 -0.078 -1.018 3 HB2 ASP 1 HB2 ASP 1 1.363 0.561 1.705 4 HB3 ASP 1 HB3 ASP 1 0.980 2.003 0.769 5 H VAL 2 H VAL 2 3.783 2.326 0.684 6 HA VAL 2 HA VAL 2 4.305 3.696 -1.805 7 HB VAL 2 HB VAL 2 2.106 4.607 -0.588 8 HG11 VAL 2 HG11 VAL 2 4.084 6.544 0.515 9 HG12 VAL 2 HG12 VAL 2 2.424 6.217 1.017 10 HG13 VAL 2 HG13 VAL 2 3.712 5.086 1.435 11 HG21 VAL 2 HG21 VAL 2 3.364 6.958 -1.468 12 HG22 VAL 2 HG22 VAL 2 4.044 5.647 -2.432 13 HG23 VAL 2 HG23 VAL 2 2.299 5.895 -2.390 14 H ILE 3 H ILE 3 5.800 5.596 -1.430 15 HA ILE 3 HA ILE 3 7.537 5.075 0.894 16 HB ILE 3 HB ILE 3 8.379 5.802 -1.912 17 HG12 ILE 3 HG12 ILE 3 8.704 3.314 -0.232 18 HG13 ILE 3 HG13 ILE 3 7.870 3.466 -1.775 19 HG21 ILE 3 HG21 ILE 3 9.737 6.961 -0.239 20 HG22 ILE 3 HG22 ILE 3 10.074 5.421 0.553 21 HG23 ILE 3 HG23 ILE 3 10.668 5.721 -1.081 22 HD11 ILE 3 HD11 ILE 3 10.748 3.194 -1.189 23 HD12 ILE 3 HD12 ILE 3 9.791 2.557 -2.527 24 HD13 ILE 3 HD13 ILE 3 10.304 4.244 -2.534 25 H ILE 4 H ILE 4 7.071 6.738 2.221 26 HA ILE 4 HA ILE 4 6.299 9.313 1.472 27 HB ILE 4 HB ILE 4 7.758 8.527 3.997 28 HG12 ILE 4 HG12 ILE 4 4.777 8.713 3.530 29 HG13 ILE 4 HG13 ILE 4 5.678 7.202 3.483 30 HG21 ILE 4 HG21 ILE 4 6.559 11.019 3.038 31 HG22 ILE 4 HG22 ILE 4 6.029 10.532 4.647 32 HG23 ILE 4 HG23 ILE 4 7.747 10.746 4.312 33 HD11 ILE 4 HD11 ILE 4 5.455 7.008 5.669 34 HD12 ILE 4 HD12 ILE 4 6.320 8.529 5.902 35 HD13 ILE 4 HD13 ILE 4 4.565 8.530 5.716 36 H LYS 5 H LYS 5 7.398 10.815 0.418 37 HA LYS 5 HA LYS 5 10.267 11.131 0.976 38 HB2 LYS 5 HB2 LYS 5 8.965 11.184 -1.752 39 HB3 LYS 5 HB3 LYS 5 10.631 11.641 -1.430 40 HG2 LYS 5 HG2 LYS 5 10.813 9.257 -0.415 41 HG3 LYS 5 HG3 LYS 5 9.365 8.940 -1.372 42 HD2 LYS 5 HD2 LYS 5 10.528 9.637 -3.394 43 HD3 LYS 5 HD3 LYS 5 11.969 10.022 -2.449 44 HE2 LYS 5 HE2 LYS 5 12.581 7.937 -3.066 45 HE3 LYS 5 HE3 LYS 5 11.589 7.476 -1.684 46 HZ1 LYS 5 HZ1 LYS 5 11.105 6.204 -3.728 47 HZ2 LYS 5 HZ2 LYS 5 10.586 7.631 -4.473 48 HZ3 LYS 5 HZ3 LYS 5 9.756 7.030 -3.127 49 HA PRO 6 HA PRO 6 9.431 15.415 1.441 50 HB2 PRO 6 HB2 PRO 6 11.730 16.522 0.512 51 HB3 PRO 6 HB3 PRO 6 11.632 15.664 2.053 52 HG2 PRO 6 HG2 PRO 6 12.616 14.687 -0.600 53 HG3 PRO 6 HG3 PRO 6 13.312 14.438 1.012 54 HD2 PRO 6 HD2 PRO 6 11.831 12.550 -0.242 55 HD3 PRO 6 HD3 PRO 6 11.840 12.739 1.524 56 H GLN 7 H GLN 7 9.760 17.587 0.150 57 HA GLN 7 HA GLN 7 8.777 17.100 -2.581 58 HB2 GLN 7 HB2 GLN 7 7.166 18.176 -1.032 59 HB3 GLN 7 HB3 GLN 7 8.296 19.507 -0.816 60 HG2 GLN 7 HG2 GLN 7 7.762 20.452 -2.775 61 HG3 GLN 7 HG3 GLN 7 7.619 18.903 -3.604 62 HE21 GLN 7 HE21 GLN 7 5.950 20.286 -0.799 63 HE22 GLN 7 HE22 GLN 7 4.357 20.110 -1.443 64 H VAL 8 H VAL 8 11.447 18.105 -0.918 65 HA VAL 8 HA VAL 8 12.521 19.424 -3.288 66 HB VAL 8 HB VAL 8 13.568 21.213 -1.892 67 HG11 VAL 8 HG11 VAL 8 10.552 21.187 -1.930 68 HG12 VAL 8 HG12 VAL 8 11.574 22.618 -1.791 69 HG13 VAL 8 HG13 VAL 8 11.598 21.656 -3.270 70 HG21 VAL 8 HG21 VAL 8 13.510 20.936 0.319 71 HG22 VAL 8 HG22 VAL 8 11.820 21.435 0.246 72 HG23 VAL 8 HG23 VAL 8 12.237 19.722 0.208 73 H SER 9 H SER 9 14.959 19.973 -2.793 74 HA SER 9 HA SER 9 16.107 17.566 -1.547 75 HB2 SER 9 HB2 SER 9 17.818 19.156 -3.352 76 HB3 SER 9 HB3 SER 9 17.595 17.409 -3.254 77 HG SER 9 HG SER 9 16.559 19.081 -5.019 78 H GLY 10 H GLY 10 17.278 17.814 0.236 79 HA2 GLY 10 HA2 GLY 10 19.023 20.050 0.637 80 HA3 GLY 10 HA3 GLY 10 17.589 20.144 1.648 81 H VAL 11 H VAL 11 18.082 19.548 3.646 82 HA VAL 11 HA VAL 11 19.522 17.022 4.034 83 HB VAL 11 HB VAL 11 20.142 19.547 5.572 84 HG11 VAL 11 HG11 VAL 11 20.791 16.699 5.965 85 HG12 VAL 11 HG12 VAL 11 22.131 17.829 6.163 86 HG13 VAL 11 HG13 VAL 11 20.673 18.012 7.138 87 HG21 VAL 11 HG21 VAL 11 21.497 18.178 3.288 88 HG22 VAL 11 HG22 VAL 11 21.223 19.899 3.562 89 HG23 VAL 11 HG23 VAL 11 22.460 19.044 4.485 90 H ILE 12 H ILE 12 18.733 15.770 5.638 91 HA ILE 12 HA ILE 12 16.189 16.158 6.660 92 HB ILE 12 HB ILE 12 18.396 14.480 7.856 93 HG12 ILE 12 HG12 ILE 12 17.872 13.964 5.487 94 HG13 ILE 12 HG13 ILE 12 17.446 12.646 6.574 95 HG21 ILE 12 HG21 ILE 12 16.472 13.154 8.775 96 HG22 ILE 12 HG22 ILE 12 16.697 14.747 9.496 97 HG23 ILE 12 HG23 ILE 12 15.421 14.490 8.307 98 HD11 ILE 12 HD11 ILE 12 15.387 12.660 5.783 99 HD12 ILE 12 HD12 ILE 12 15.184 14.334 6.301 100 HD13 ILE 12 HD13 ILE 12 15.816 13.978 4.693 101 H VAL 13 H VAL 13 15.342 16.977 8.524 102 HA VAL 13 HA VAL 13 17.200 18.487 10.243 103 HB VAL 13 HB VAL 13 14.262 19.062 9.875 104 HG11 VAL 13 HG11 VAL 13 14.521 20.670 11.396 105 HG12 VAL 13 HG12 VAL 13 16.063 19.909 11.796 106 HG13 VAL 13 HG13 VAL 13 16.009 21.245 10.644 107 HG21 VAL 13 HG21 VAL 13 15.692 21.105 8.666 108 HG22 VAL 13 HG22 VAL 13 16.495 19.633 8.118 109 HG23 VAL 13 HG23 VAL 13 14.765 19.847 7.850 110 H ASN 14 H ASN 14 14.361 16.398 10.190 111 HA ASN 14 HA ASN 14 14.999 15.217 12.682 112 HB2 ASN 14 HB2 ASN 14 13.955 17.559 13.238 113 HB3 ASN 14 HB3 ASN 14 12.434 16.758 12.853 114 HD21 ASN 14 HD21 ASN 14 12.052 17.340 15.144 115 HD22 ASN 14 HD22 ASN 14 12.543 16.209 16.353 116 H LYS 15 H LYS 15 13.021 13.864 13.478 117 HA LYS 15 HA LYS 15 11.347 13.007 11.235 118 HB2 LYS 15 HB2 LYS 15 12.735 10.935 12.905 119 HB3 LYS 15 HB3 LYS 15 11.982 10.757 11.326 120 HG2 LYS 15 HG2 LYS 15 13.796 12.108 10.342 121 HG3 LYS 15 HG3 LYS 15 14.566 12.180 11.928 122 HD2 LYS 15 HD2 LYS 15 13.984 9.675 10.348 123 HD3 LYS 15 HD3 LYS 15 15.565 10.434 10.544 124 HE2 LYS 15 HE2 LYS 15 14.634 10.123 13.136 125 HE3 LYS 15 HE3 LYS 15 14.129 8.645 12.319 126 HZ1 LYS 15 HZ1 LYS 15 16.517 8.565 11.477 127 HZ2 LYS 15 HZ2 LYS 15 16.252 8.179 13.102 128 HZ3 LYS 15 HZ3 LYS 15 16.863 9.700 12.683 129 H LEU 16 H LEU 16 9.491 13.713 12.218 130 HA LEU 16 HA LEU 16 8.902 13.016 14.959 131 HB2 LEU 16 HB2 LEU 16 6.866 14.104 13.072 132 HB3 LEU 16 HB3 LEU 16 7.068 14.405 14.796 133 HG LEU 16 HG LEU 16 8.705 15.563 12.544 134 HD11 LEU 16 HD11 LEU 16 6.290 16.373 13.622 135 HD12 LEU 16 HD12 LEU 16 7.407 17.363 12.682 136 HD13 LEU 16 HD13 LEU 16 7.485 17.377 14.444 137 HD21 LEU 16 HD21 LEU 16 9.246 15.300 15.426 138 HD22 LEU 16 HD22 LEU 16 9.482 16.911 14.748 139 HD23 LEU 16 HD23 LEU 16 10.357 15.534 14.076 140 H PHE 17 H PHE 17 9.290 10.659 14.024 141 HA PHE 17 HA PHE 17 6.699 9.412 14.053 142 HB2 PHE 17 HB2 PHE 17 6.580 8.559 11.933 143 HB3 PHE 17 HB3 PHE 17 7.451 10.046 11.572 144 HD1 PHE 17 HD2 PHE 17 9.938 9.965 11.306 145 HD2 PHE 17 HD1 PHE 17 7.543 6.455 11.543 146 HE1 PHE 17 HE2 PHE 17 11.771 8.652 10.320 147 HE2 PHE 17 HE1 PHE 17 9.373 5.136 10.558 148 HZ PHE 17 HZ PHE 17 11.488 6.234 9.944 149 H LYS 18 H LYS 18 6.896 7.002 14.063 150 HA LYS 18 HA LYS 18 9.513 6.140 15.102 151 HB2 LYS 18 HB2 LYS 18 6.805 5.894 16.306 152 HB3 LYS 18 HB3 LYS 18 7.891 4.523 16.486 153 HG2 LYS 18 HG2 LYS 18 8.878 7.252 17.158 154 HG3 LYS 18 HG3 LYS 18 7.814 6.411 18.288 155 HD2 LYS 18 HD2 LYS 18 10.004 4.767 17.240 156 HD3 LYS 18 HD3 LYS 18 10.531 6.153 18.198 157 HE2 LYS 18 HE2 LYS 18 10.278 4.441 19.766 158 HE3 LYS 18 HE3 LYS 18 8.795 5.383 19.917 159 HZ1 LYS 18 HZ1 LYS 18 9.031 2.668 19.389 160 HZ2 LYS 18 HZ2 LYS 18 8.449 3.376 17.968 161 HZ3 LYS 18 HZ3 LYS 18 7.615 3.593 19.423 162 H ALA 19 H ALA 19 9.615 3.660 15.199 163 HA ALA 19 HA ALA 19 8.903 2.678 12.562 164 HB1 ALA 19 HB1 ALA 19 11.095 2.318 14.178 165 HB2 ALA 19 HB2 ALA 19 10.234 0.788 14.334 166 HB3 ALA 19 HB3 ALA 19 10.707 1.374 12.740 167 H GLY 20 H GLY 20 6.875 1.944 12.356 168 HA2 GLY 20 HA2 GLY 20 5.305 0.201 12.573 169 HA3 GLY 20 HA3 GLY 20 6.030 -0.229 14.116 170 H ASP 21 H ASP 21 5.314 3.093 13.519 171 HA ASP 21 HA ASP 21 3.243 2.986 15.578 172 HB2 ASP 21 HB2 ASP 21 5.338 4.687 15.281 173 HB3 ASP 21 HB3 ASP 21 4.061 5.606 14.488 174 H LYS 22 H LYS 22 1.349 4.462 15.302 175 HA LYS 22 HA LYS 22 0.091 3.905 12.768 176 HB2 LYS 22 HB2 LYS 22 -0.845 5.185 15.328 177 HB3 LYS 22 HB3 LYS 22 -1.853 5.155 13.886 178 HG2 LYS 22 HG2 LYS 22 -1.989 2.801 13.908 179 HG3 LYS 22 HG3 LYS 22 -0.691 2.665 15.097 180 HD2 LYS 22 HD2 LYS 22 -2.052 3.202 16.846 181 HD3 LYS 22 HD3 LYS 22 -3.088 4.239 15.863 182 HE2 LYS 22 HE2 LYS 22 -3.667 1.898 14.731 183 HE3 LYS 22 HE3 LYS 22 -3.209 1.311 16.329 184 HZ1 LYS 22 HZ1 LYS 22 -5.345 1.747 16.793 185 HZ2 LYS 22 HZ2 LYS 22 -5.531 2.840 15.516 186 HZ3 LYS 22 HZ3 LYS 22 -4.816 3.345 16.964 187 H VAL 23 H VAL 23 -0.334 5.294 11.143 188 HA VAL 23 HA VAL 23 0.675 8.044 11.442 189 HB VAL 23 HB VAL 23 0.358 6.349 8.964 190 HG11 VAL 23 HG11 VAL 23 -0.205 8.582 8.347 191 HG12 VAL 23 HG12 VAL 23 1.151 9.240 9.265 192 HG13 VAL 23 HG13 VAL 23 1.448 8.287 7.811 193 HG21 VAL 23 HG21 VAL 23 2.308 5.675 10.086 194 HG22 VAL 23 HG22 VAL 23 2.865 6.810 8.856 195 HG23 VAL 23 HG23 VAL 23 2.724 7.330 10.535 196 H LYS 24 H LYS 24 -0.501 9.775 10.502 197 HA LYS 24 HA LYS 24 -3.371 9.201 10.162 198 HB2 LYS 24 HB2 LYS 24 -1.913 11.417 11.533 199 HB3 LYS 24 HB3 LYS 24 -3.464 11.775 10.783 200 HG2 LYS 24 HG2 LYS 24 -3.676 9.379 12.335 201 HG3 LYS 24 HG3 LYS 24 -2.986 10.674 13.316 202 HD2 LYS 24 HD2 LYS 24 -5.362 10.771 13.547 203 HD3 LYS 24 HD3 LYS 24 -4.865 12.140 12.550 204 HE2 LYS 24 HE2 LYS 24 -5.341 10.518 10.570 205 HE3 LYS 24 HE3 LYS 24 -6.294 9.634 11.760 206 HZ1 LYS 24 HZ1 LYS 24 -7.567 11.291 10.446 207 HZ2 LYS 24 HZ2 LYS 24 -6.661 12.519 11.174 208 HZ3 LYS 24 HZ3 LYS 24 -7.659 11.531 12.118 209 H LYS 25 H LYS 25 -4.458 11.156 8.958 210 HA LYS 25 HA LYS 25 -3.230 11.245 6.352 211 HB2 LYS 25 HB2 LYS 25 -5.871 11.911 7.512 212 HB3 LYS 25 HB3 LYS 25 -5.395 12.844 6.098 213 HG2 LYS 25 HG2 LYS 25 -5.144 10.845 4.794 214 HG3 LYS 25 HG3 LYS 25 -5.432 9.835 6.214 215 HD2 LYS 25 HD2 LYS 25 -7.699 10.843 6.395 216 HD3 LYS 25 HD3 LYS 25 -7.395 11.699 4.882 217 HE2 LYS 25 HE2 LYS 25 -8.035 9.913 3.731 218 HE3 LYS 25 HE3 LYS 25 -6.768 8.954 4.494 219 HZ1 LYS 25 HZ1 LYS 25 -8.256 8.435 6.297 220 HZ2 LYS 25 HZ2 LYS 25 -8.991 8.017 4.832 221 HZ3 LYS 25 HZ3 LYS 25 -9.465 9.423 5.645 222 H GLY 26 H GLY 26 -1.358 12.500 6.708 223 HA2 GLY 26 HA2 GLY 26 -0.563 14.682 6.048 224 HA3 GLY 26 HA3 GLY 26 -1.931 15.386 6.897 225 H GLN 27 H GLN 27 -0.422 12.819 8.548 226 HA GLN 27 HA GLN 27 0.461 14.594 10.628 227 HB2 GLN 27 HB2 GLN 27 -0.382 11.966 10.540 228 HB3 GLN 27 HB3 GLN 27 1.343 11.816 10.841 229 HG2 GLN 27 HG2 GLN 27 0.546 13.807 12.579 230 HG3 GLN 27 HG3 GLN 27 -0.789 12.657 12.612 231 HE21 GLN 27 HE21 GLN 27 0.421 10.273 12.330 232 HE22 GLN 27 HE22 GLN 27 1.493 9.971 13.650 233 H THR 28 H THR 28 2.459 15.322 11.019 234 HA THR 28 HA THR 28 4.486 15.115 9.074 235 HB THR 28 HB THR 28 5.083 15.901 11.908 236 HG1 THR 28 HG1 THR 28 3.437 17.237 10.036 237 HG21 THR 28 HG21 THR 28 7.003 16.204 10.699 238 HG22 THR 28 HG22 THR 28 6.235 17.765 10.414 239 HG23 THR 28 HG23 THR 28 6.138 16.498 9.192 240 H LEU 29 H LEU 29 6.320 13.901 8.946 241 HA LEU 29 HA LEU 29 6.865 11.975 11.089 242 HB2 LEU 29 HB2 LEU 29 6.916 11.200 8.185 243 HB3 LEU 29 HB3 LEU 29 7.059 10.148 9.592 244 HG LEU 29 HG LEU 29 4.529 11.671 9.245 245 HD11 LEU 29 HD11 LEU 29 4.155 10.878 7.203 246 HD12 LEU 29 HD12 LEU 29 4.072 9.275 7.935 247 HD13 LEU 29 HD13 LEU 29 5.593 9.857 7.254 248 HD21 LEU 29 HD21 LEU 29 4.862 8.789 9.979 249 HD22 LEU 29 HD22 LEU 29 3.599 9.926 10.453 250 HD23 LEU 29 HD23 LEU 29 5.213 10.058 11.153 251 H PHE 30 H PHE 30 7.979 13.611 8.170 252 HA PHE 30 HA PHE 30 10.728 13.410 9.203 253 HB2 PHE 30 HB2 PHE 30 9.671 12.712 6.522 254 HB3 PHE 30 HB3 PHE 30 11.196 13.591 6.555 255 HD1 PHE 30 HD1 PHE 30 13.141 12.625 7.770 256 HD2 PHE 30 HD2 PHE 30 9.555 10.431 7.104 257 HE1 PHE 30 HE1 PHE 30 14.341 10.528 8.236 258 HE2 PHE 30 HE2 PHE 30 10.749 8.332 7.570 259 HZ PHE 30 HZ PHE 30 13.145 8.378 8.138 260 H ILE 31 H ILE 31 12.182 15.093 8.191 261 HA ILE 31 HA ILE 31 10.844 17.508 7.292 262 HB ILE 31 HB ILE 31 12.507 17.541 9.814 263 HG12 ILE 31 HG12 ILE 31 9.529 17.881 9.407 264 HG13 ILE 31 HG13 ILE 31 10.325 16.559 10.253 265 HG21 ILE 31 HG21 ILE 31 12.708 19.544 8.377 266 HG22 ILE 31 HG22 ILE 31 10.962 19.761 8.483 267 HG23 ILE 31 HG23 ILE 31 11.954 19.886 9.935 268 HD11 ILE 31 HD11 ILE 31 9.817 19.344 11.127 269 HD12 ILE 31 HD12 ILE 31 9.687 17.829 12.022 270 HD13 ILE 31 HD13 ILE 31 11.272 18.540 11.715 271 H ILE 32 H ILE 32 12.138 18.812 6.078 272 HA ILE 32 HA ILE 32 15.022 18.317 6.057 273 HB ILE 32 HB ILE 32 13.192 18.005 3.696 274 HG12 ILE 32 HG12 ILE 32 15.617 16.351 4.238 275 HG13 ILE 32 HG13 ILE 32 14.211 16.128 5.273 276 HG21 ILE 32 HG21 ILE 32 16.103 18.758 3.680 277 HG22 ILE 32 HG22 ILE 32 15.298 18.006 2.303 278 HG23 ILE 32 HG23 ILE 32 14.760 19.581 2.888 279 HD11 ILE 32 HD11 ILE 32 13.077 15.041 3.689 280 HD12 ILE 32 HD12 ILE 32 13.600 16.145 2.417 281 HD13 ILE 32 HD13 ILE 32 14.655 14.830 2.931 282 H GLU 33 H GLU 33 16.205 20.120 5.783 283 HA GLU 33 HA GLU 33 14.745 22.615 5.280 284 HB2 GLU 33 HB2 GLU 33 15.842 22.869 7.310 285 HB3 GLU 33 HB3 GLU 33 17.240 21.939 6.787 286 HG2 GLU 33 HG2 GLU 33 16.777 24.432 5.308 287 HG3 GLU 33 HG3 GLU 33 17.187 24.628 7.012 288 H GLN 34 H GLN 34 15.064 23.743 3.474 289 HA GLN 34 HA GLN 34 16.691 22.728 1.383 290 HB2 GLN 34 HB2 GLN 34 14.980 25.147 1.759 291 HB3 GLN 34 HB3 GLN 34 16.102 25.109 0.406 292 HG2 GLN 34 HG2 GLN 34 14.299 24.224 -0.623 293 HG3 GLN 34 HG3 GLN 34 14.979 22.736 0.036 294 HE21 GLN 34 HE21 GLN 34 14.185 22.208 2.289 295 HE22 GLN 34 HE22 GLN 34 12.496 22.420 2.579 296 H ASP 35 H ASP 35 18.542 23.613 0.428 297 HA ASP 35 HA ASP 35 19.876 25.926 1.195 298 HB2 ASP 35 HB2 ASP 35 20.003 24.068 3.249 299 HB3 ASP 35 HB3 ASP 35 21.540 23.863 2.413 300 H GLN 36 H GLN 36 19.340 24.246 -1.098 301 HA GLN 36 HA GLN 36 21.675 22.895 -1.948 302 HB2 GLN 36 HB2 GLN 36 19.656 24.165 -3.787 303 HB3 GLN 36 HB3 GLN 36 20.640 22.736 -4.074 304 HG2 GLN 36 HG2 GLN 36 19.137 21.392 -3.145 305 HG3 GLN 36 HG3 GLN 36 18.940 22.446 -1.746 306 HE21 GLN 36 HE21 GLN 36 16.969 20.958 -3.355 307 HE22 GLN 36 HE22 GLN 36 15.823 22.137 -3.886 308 H ALA 37 H ALA 37 20.846 26.216 -1.780 309 HA ALA 37 HA ALA 37 22.232 27.393 -3.841 310 HB1 ALA 37 HB1 ALA 37 21.608 29.233 -2.774 311 HB2 ALA 37 HB2 ALA 37 21.094 28.239 -1.410 312 HB3 ALA 37 HB3 ALA 37 22.732 28.892 -1.457 313 H SER 38 H SER 38 23.609 27.063 -0.565 314 HA SER 38 HA SER 38 25.990 25.813 -1.315 315 HB2 SER 38 HB2 SER 38 25.914 28.679 -1.853 316 HB3 SER 38 HB3 SER 38 27.229 28.238 -0.764 317 HG SER 38 HG SER 38 26.720 26.889 -3.202 318 H LYS 39 H LYS 39 27.347 25.429 0.439 319 HA LYS 39 HA LYS 39 26.130 25.674 3.002 320 HB2 LYS 39 HB2 LYS 39 28.979 24.866 2.412 321 HB3 LYS 39 HB3 LYS 39 28.032 24.467 3.838 322 HG2 LYS 39 HG2 LYS 39 27.742 23.406 1.049 323 HG3 LYS 39 HG3 LYS 39 28.058 22.517 2.541 324 HD2 LYS 39 HD2 LYS 39 25.696 23.711 3.138 325 HD3 LYS 39 HD3 LYS 39 25.517 23.460 1.399 326 HE2 LYS 39 HE2 LYS 39 24.641 21.532 2.479 327 HE3 LYS 39 HE3 LYS 39 26.191 21.073 1.776 328 HZ1 LYS 39 HZ1 LYS 39 26.778 20.365 3.776 329 HZ2 LYS 39 HZ2 LYS 39 25.371 20.983 4.483 330 HZ3 LYS 39 HZ3 LYS 39 26.742 21.964 4.331 331 H ASP 40 H ASP 40 29.160 26.999 1.665 332 HA ASP 40 HA ASP 40 29.829 28.590 3.862 333 HB2 ASP 40 HB2 ASP 40 31.064 27.997 1.544 334 HB3 ASP 40 HB3 ASP 40 30.512 29.627 1.167 335 H PHE 41 H PHE 41 27.491 29.053 1.356 336 HA PHE 41 HA PHE 41 27.190 31.795 1.285 337 HB2 PHE 41 HB2 PHE 41 25.952 30.273 -0.184 338 HB3 PHE 41 HB3 PHE 41 25.008 29.701 1.189 339 HD1 PHE 41 HD1 PHE 41 25.975 33.087 -0.051 340 HD2 PHE 41 HD2 PHE 41 22.840 30.426 1.051 341 HE1 PHE 41 HE1 PHE 41 24.326 34.869 -0.450 342 HE2 PHE 41 HE2 PHE 41 21.187 32.203 0.653 343 HZ PHE 41 HZ PHE 41 21.928 34.428 -0.100 344 H ASN 42 H ASN 42 24.847 29.819 3.072 345 HA ASN 42 HA ASN 42 23.825 30.103 5.085 346 HB2 ASN 42 HB2 ASN 42 26.195 30.200 5.913 347 HB3 ASN 42 HB3 ASN 42 26.115 31.954 5.776 348 HD21 ASN 42 HD21 ASN 42 23.498 29.853 6.792 349 H ARG 43 H ARG 43 25.303 33.311 5.050 350 HA ARG 43 HA ARG 43 24.372 35.390 5.152 351 HB2 ARG 43 HB2 ARG 43 23.693 34.209 2.729 352 HB3 ARG 43 HB3 ARG 43 22.175 34.873 3.315 353 HG2 ARG 43 HG2 ARG 43 24.504 36.662 3.504 354 HG3 ARG 43 HG3 ARG 43 23.965 36.262 1.872 355 HD2 ARG 43 HD2 ARG 43 22.422 37.849 2.099 356 HD3 ARG 43 HD3 ARG 43 21.623 36.792 3.264 357 HE ARG 43 HE ARG 43 22.308 38.187 4.943 358 HH11 ARG 43 HH11 ARG 43 24.147 38.878 2.069 359 HH12 ARG 43 HH12 ARG 43 24.904 40.286 2.735 360 HH21 ARG 43 HH21 ARG 43 23.298 40.041 5.830 361 HH22 ARG 43 HH22 ARG 43 24.421 40.947 4.875 362 H SER 44 H SER 44 23.332 33.402 7.009 363 HA SER 44 HA SER 44 20.523 34.187 7.287 364 HB2 SER 44 HB2 SER 44 21.867 31.768 7.729 365 HB3 SER 44 HB3 SER 44 21.479 32.377 9.337 366 HG SER 44 HG SER 44 19.476 31.885 8.983 367 H LYS 45 H LYS 45 19.836 34.452 9.678 368 HA LYS 45 HA LYS 45 21.603 36.481 10.842 369 HB2 LYS 45 HB2 LYS 45 18.714 35.905 11.510 370 HB3 LYS 45 HB3 LYS 45 19.653 37.304 12.010 371 HG2 LYS 45 HG2 LYS 45 18.326 38.092 10.269 372 HG3 LYS 45 HG3 LYS 45 19.899 37.806 9.517 373 HD2 LYS 45 HD2 LYS 45 17.837 36.992 8.254 374 HD3 LYS 45 HD3 LYS 45 19.158 35.840 8.463 375 HE2 LYS 45 HE2 LYS 45 16.869 34.912 8.889 376 HE3 LYS 45 HE3 LYS 45 18.007 34.722 10.223 377 HZ1 LYS 45 HZ1 LYS 45 16.492 37.157 10.364 378 HZ2 LYS 45 HZ2 LYS 45 16.757 35.980 11.550 379 HZ3 LYS 45 HZ3 LYS 45 15.518 35.774 10.416 380 H ALA 46 H ALA 46 19.262 34.172 12.221 381 HA ALA 46 HA ALA 46 21.087 32.651 13.684 382 HB1 ALA 46 HB1 ALA 46 21.722 34.448 15.015 383 HB2 ALA 46 HB2 ALA 46 20.084 35.097 15.091 384 HB3 ALA 46 HB3 ALA 46 20.496 33.636 15.988 385 H LEU 47 H LEU 47 19.818 31.829 15.855 386 HA LEU 47 HA LEU 47 16.975 31.545 15.356 387 HB2 LEU 47 HB2 LEU 47 18.864 29.199 15.280 388 HB3 LEU 47 HB3 LEU 47 17.113 29.059 15.426 389 HG LEU 47 HG LEU 47 18.475 30.370 13.080 390 HD11 LEU 47 HD11 LEU 47 18.625 28.394 11.969 391 HD12 LEU 47 HD12 LEU 47 17.295 27.659 12.863 392 HD13 LEU 47 HD13 LEU 47 18.886 27.802 13.610 393 HD21 LEU 47 HD21 LEU 47 16.421 30.830 12.371 394 HD22 LEU 47 HD22 LEU 47 15.813 30.308 13.943 395 HD23 LEU 47 HD23 LEU 47 15.910 29.159 12.609 396 H PHE 48 H PHE 48 16.188 32.042 17.292 397 HA PHE 48 HA PHE 48 16.021 32.264 19.568 398 HB2 PHE 48 HB2 PHE 48 15.856 30.101 20.734 399 HB3 PHE 48 HB3 PHE 48 15.013 30.069 19.190 400 HD1 PHE 48 HD1 PHE 48 17.937 28.873 21.047 401 HD2 PHE 48 HD2 PHE 48 15.766 28.677 17.390 402 HE1 PHE 48 HE1 PHE 48 19.223 26.879 20.393 403 HE2 PHE 48 HE2 PHE 48 17.049 26.683 16.731 404 HZ PHE 48 HZ PHE 48 18.779 25.782 18.234 405 H SER 49 H SER 49 17.202 30.877 21.674 406 HA SER 49 HA SER 49 19.086 30.729 22.959 407 HB2 SER 49 HB2 SER 49 20.055 30.238 20.360 408 HB3 SER 49 HB3 SER 49 21.148 31.429 21.067 409 HG SER 49 HG SER 49 20.368 29.030 22.365 410 H GLN 50 H GLN 50 20.105 33.109 20.515 411 HA GLN 50 HA GLN 50 20.511 35.047 22.676 412 HB2 GLN 50 HB2 GLN 50 22.373 34.474 21.060 413 HB3 GLN 50 HB3 GLN 50 21.433 35.278 19.811 414 HG2 GLN 50 HG2 GLN 50 21.569 37.067 21.970 415 HG3 GLN 50 HG3 GLN 50 23.189 36.402 21.765 416 HE21 GLN 50 HE21 GLN 50 24.009 36.398 19.499 417 HE22 GLN 50 HE22 GLN 50 23.646 37.773 18.519 418 H SER 51 H SER 51 17.889 34.724 22.173 419 HA SER 51 HA SER 51 15.956 35.742 21.512 420 HB2 SER 51 HB2 SER 51 17.505 38.320 21.431 421 HB3 SER 51 HB3 SER 51 15.850 38.043 21.970 422 HG SER 51 HG SER 51 16.562 37.318 23.861 423 H ALA 52 H ALA 52 17.595 34.720 19.385 424 HA ALA 52 HA ALA 52 18.017 36.354 17.219 425 HB1 ALA 52 HB1 ALA 52 16.771 33.754 16.589 426 HB2 ALA 52 HB2 ALA 52 18.291 34.455 16.029 427 HB3 ALA 52 HB3 ALA 52 18.202 33.702 17.621 428 H ILE 53 H ILE 53 15.020 34.510 17.830 429 HA ILE 53 HA ILE 53 13.482 36.694 16.645 430 HB ILE 53 HB ILE 53 13.191 33.831 15.725 431 HG12 ILE 53 HG12 ILE 53 14.119 36.253 14.168 432 HG13 ILE 53 HG13 ILE 53 15.198 35.030 14.833 433 HG21 ILE 53 HG21 ILE 53 11.505 36.227 15.484 434 HG22 ILE 53 HG22 ILE 53 11.759 35.330 13.988 435 HG23 ILE 53 HG23 ILE 53 11.074 34.518 15.396 436 HD11 ILE 53 HD11 ILE 53 13.027 34.012 13.134 437 HD12 ILE 53 HD12 ILE 53 14.243 34.999 12.322 438 HD13 ILE 53 HD13 ILE 53 14.729 33.554 13.209 439 H SER 54 H SER 54 11.632 37.068 17.703 440 HA SER 54 HA SER 54 11.037 35.731 20.105 441 HB2 SER 54 HB2 SER 54 10.139 38.058 18.748 442 HB3 SER 54 HB3 SER 54 8.713 37.097 19.137 443 HG SER 54 HG SER 54 10.000 38.660 20.756 444 H GLN 55 H GLN 55 10.730 33.546 19.782 445 HA GLN 55 HA GLN 55 9.310 32.236 17.853 446 HB2 GLN 55 HB2 GLN 55 8.777 30.537 19.703 447 HB3 GLN 55 HB3 GLN 55 10.470 30.889 19.380 448 HG2 GLN 55 HG2 GLN 55 9.221 32.573 21.432 449 HG3 GLN 55 HG3 GLN 55 9.346 30.862 21.836 450 HE21 GLN 55 HE21 GLN 55 10.737 33.305 22.845 451 HE22 GLN 55 HE22 GLN 55 12.420 32.938 22.718 452 H LYS 56 H LYS 56 8.061 34.122 20.496 453 HA LYS 56 HA LYS 56 5.447 33.185 20.644 454 HB2 LYS 56 HB2 LYS 56 4.919 35.597 21.333 455 HB3 LYS 56 HB3 LYS 56 6.093 34.715 22.301 456 HG2 LYS 56 HG2 LYS 56 7.909 35.887 21.333 457 HG3 LYS 56 HG3 LYS 56 6.878 36.581 20.079 458 HD2 LYS 56 HD2 LYS 56 7.174 38.321 21.619 459 HD3 LYS 56 HD3 LYS 56 5.582 37.664 22.004 460 HE2 LYS 56 HE2 LYS 56 6.232 37.204 24.078 461 HE3 LYS 56 HE3 LYS 56 7.585 36.247 23.478 462 HZ1 LYS 56 HZ1 LYS 56 8.675 37.862 24.638 463 HZ2 LYS 56 HZ2 LYS 56 7.522 39.057 24.315 464 HZ3 LYS 56 HZ3 LYS 56 8.626 38.599 23.116 465 H GLU 57 H GLU 57 4.528 32.698 18.681 466 HA GLU 57 HA GLU 57 3.521 33.015 16.659 467 HB2 GLU 57 HB2 GLU 57 2.943 35.808 17.628 468 HB3 GLU 57 HB3 GLU 57 1.972 34.810 16.554 469 HG2 GLU 57 HG2 GLU 57 1.730 33.227 18.547 470 HG3 GLU 57 HG3 GLU 57 2.333 34.570 19.516 471 H TYR 58 H TYR 58 6.318 33.570 16.709 472 HA TYR 58 HA TYR 58 7.164 35.919 15.559 473 HB2 TYR 58 HB2 TYR 58 9.129 34.819 15.011 474 HB3 TYR 58 HB3 TYR 58 8.481 33.773 16.268 475 HD1 TYR 58 HD1 TYR 58 6.601 32.061 15.057 476 HD2 TYR 58 HD2 TYR 58 10.183 33.609 13.362 477 HE1 TYR 58 HE1 TYR 58 6.693 30.145 13.516 478 HE2 TYR 58 HE2 TYR 58 10.284 31.699 11.816 479 HH TYR 58 HH TYR 58 8.345 28.930 12.188 480 H ASP 59 H ASP 59 7.991 36.137 13.240 481 HA ASP 59 HA ASP 59 5.837 35.319 11.405 482 HB2 ASP 59 HB2 ASP 59 7.043 37.882 11.943 483 HB3 ASP 59 HB3 ASP 59 7.270 37.451 10.250 484 H SER 60 H SER 60 6.393 33.855 9.948 485 HA SER 60 HA SER 60 8.947 32.838 9.573 486 HB2 SER 60 HB2 SER 60 7.549 32.435 7.147 487 HB3 SER 60 HB3 SER 60 7.706 31.314 8.500 488 HG SER 60 HG SER 60 5.650 31.593 8.767 489 H SER 61 H SER 61 7.447 35.630 8.189 490 HA SER 61 HA SER 61 9.081 35.910 5.897 491 HB2 SER 61 HB2 SER 61 6.943 37.324 7.087 492 HB3 SER 61 HB3 SER 61 8.273 38.472 6.926 493 HG SER 61 HG SER 61 8.366 37.417 4.676 494 H LEU 62 H LEU 62 9.655 36.432 9.234 495 HA LEU 62 HA LEU 62 12.032 38.061 8.668 496 HB2 LEU 62 HB2 LEU 62 11.885 38.939 10.761 497 HB3 LEU 62 HB3 LEU 62 10.184 38.580 10.468 498 HG LEU 62 HG LEU 62 11.026 36.279 11.659 499 HD11 LEU 62 HD11 LEU 62 12.174 37.499 13.761 500 HD12 LEU 62 HD12 LEU 62 12.857 38.450 12.444 501 HD13 LEU 62 HD13 LEU 62 13.082 36.701 12.477 502 HD21 LEU 62 HD21 LEU 62 10.095 38.666 13.229 503 HD22 LEU 62 HD22 LEU 62 9.734 36.962 13.502 504 HD23 LEU 62 HD23 LEU 62 9.040 37.800 12.114 505 H ALA 63 H ALA 63 11.235 34.907 8.927 506 HA ALA 63 HA ALA 63 13.859 34.196 10.066 507 HB1 ALA 63 HB1 ALA 63 11.774 32.122 10.114 508 HB2 ALA 63 HB2 ALA 63 12.974 32.558 11.331 509 HB3 ALA 63 HB3 ALA 63 11.494 33.503 11.176 510 H THR 64 H THR 64 15.032 33.965 8.223 511 HA THR 64 HA THR 64 14.030 32.753 5.849 512 HB THR 64 HB THR 64 16.916 32.642 6.032 513 HG1 THR 64 HG1 THR 64 15.863 35.249 6.371 514 HG21 THR 64 HG21 THR 64 15.306 32.880 4.020 515 HG22 THR 64 HG22 THR 64 16.822 33.781 4.000 516 HG23 THR 64 HG23 THR 64 15.315 34.598 4.417 517 H LEU 65 H LEU 65 15.939 31.020 4.984 518 HA LEU 65 HA LEU 65 16.437 28.800 4.957 519 HB2 LEU 65 HB2 LEU 65 16.899 29.549 7.816 520 HB3 LEU 65 HB3 LEU 65 17.084 27.876 7.294 521 HG LEU 65 HG LEU 65 18.889 28.446 5.848 522 HD11 LEU 65 HD11 LEU 65 19.668 30.736 5.541 523 HD12 LEU 65 HD12 LEU 65 18.334 31.330 6.531 524 HD13 LEU 65 HD13 LEU 65 18.005 30.549 4.984 525 HD21 LEU 65 HD21 LEU 65 19.866 28.156 7.888 526 HD22 LEU 65 HD22 LEU 65 18.968 29.480 8.632 527 HD23 LEU 65 HD23 LEU 65 20.337 29.828 7.576 528 H ASP 66 H ASP 66 13.830 29.084 4.703 529 HA ASP 66 HA ASP 66 12.074 28.091 6.575 530 HB2 ASP 66 HB2 ASP 66 12.106 28.400 3.678 531 HB3 ASP 66 HB3 ASP 66 11.149 27.012 4.188 532 H HIS 67 H HIS 67 10.938 25.932 6.496 533 HA HIS 67 HA HIS 67 12.822 23.735 5.987 534 HB2 HIS 67 HB2 HIS 67 11.092 23.989 8.455 535 HB3 HIS 67 HB3 HIS 67 12.203 22.672 8.091 536 HD1 HIS 67 HD1 HIS 67 12.218 24.866 10.530 537 HD2 HIS 67 HD2 HIS 67 14.802 24.583 7.289 538 HE1 HIS 67 HE1 HIS 67 14.331 26.025 11.251 539 H THR 68 H THR 68 11.968 22.025 4.970 540 HA THR 68 HA THR 68 9.106 22.093 4.371 541 HB THR 68 HB THR 68 11.343 20.494 3.114 542 HG1 THR 68 HG1 THR 68 10.062 22.912 2.532 543 HG21 THR 68 HG21 THR 68 9.649 19.100 2.564 544 HG22 THR 68 HG22 THR 68 9.289 20.340 1.362 545 HG23 THR 68 HG23 THR 68 8.408 20.310 2.890 546 H GLU 69 H GLU 69 7.899 21.037 5.819 547 HA GLU 69 HA GLU 69 8.910 18.696 7.192 548 HB2 GLU 69 HB2 GLU 69 6.717 18.751 8.363 549 HB3 GLU 69 HB3 GLU 69 7.619 20.255 8.494 550 HG2 GLU 69 HG2 GLU 69 6.020 20.539 6.222 551 HG3 GLU 69 HG3 GLU 69 4.992 19.783 7.437 552 H ILE 70 H ILE 70 8.683 16.693 6.472 553 HA ILE 70 HA ILE 70 6.984 16.141 4.198 554 HB ILE 70 HB ILE 70 8.800 14.315 5.777 555 HG12 ILE 70 HG12 ILE 70 10.044 14.498 3.465 556 HG13 ILE 70 HG13 ILE 70 9.147 16.006 3.330 557 HG21 ILE 70 HG21 ILE 70 7.264 13.857 3.228 558 HG22 ILE 70 HG22 ILE 70 8.568 12.816 3.794 559 HG23 ILE 70 HG23 ILE 70 7.098 12.989 4.752 560 HD11 ILE 70 HD11 ILE 70 11.501 16.108 4.286 561 HD12 ILE 70 HD12 ILE 70 10.226 16.941 5.177 562 HD13 ILE 70 HD13 ILE 70 10.814 15.375 5.736 563 H LYS 71 H LYS 71 4.869 15.986 4.654 564 HA LYS 71 HA LYS 71 4.000 14.564 7.052 565 HB2 LYS 71 HB2 LYS 71 1.736 15.385 6.411 566 HB3 LYS 71 HB3 LYS 71 2.907 16.672 6.665 567 HG2 LYS 71 HG2 LYS 71 3.059 16.035 3.944 568 HG3 LYS 71 HG3 LYS 71 1.340 16.066 4.342 569 HD2 LYS 71 HD2 LYS 71 1.539 18.283 4.015 570 HD3 LYS 71 HD3 LYS 71 2.221 18.281 5.644 571 HE2 LYS 71 HE2 LYS 71 4.172 18.995 4.861 572 HE3 LYS 71 HE3 LYS 71 4.270 17.616 3.768 573 HZ1 LYS 71 HZ1 LYS 71 3.690 20.336 3.178 574 HZ2 LYS 71 HZ2 LYS 71 2.454 19.326 2.617 575 HZ3 LYS 71 HZ3 LYS 71 4.051 19.064 2.122 576 H ALA 72 H ALA 72 2.223 12.991 6.871 577 HA ALA 72 HA ALA 72 2.776 11.109 4.738 578 HB1 ALA 72 HB1 ALA 72 0.756 10.014 6.259 579 HB2 ALA 72 HB2 ALA 72 2.487 9.746 6.479 580 HB3 ALA 72 HB3 ALA 72 1.660 10.988 7.420 581 HA PRO 73 HA PRO 73 -0.655 12.175 2.195 582 HB2 PRO 73 HB2 PRO 73 -0.992 9.809 0.905 583 HB3 PRO 73 HB3 PRO 73 0.351 10.907 0.564 584 HG2 PRO 73 HG2 PRO 73 0.302 8.444 2.265 585 HG3 PRO 73 HG3 PRO 73 1.531 8.977 1.104 586 HD2 PRO 73 HD2 PRO 73 1.813 9.310 3.776 587 HD3 PRO 73 HD3 PRO 73 2.483 10.454 2.596 588 H PHE 74 H PHE 74 -0.906 8.946 3.696 589 HA PHE 74 HA PHE 74 -3.597 9.622 4.609 590 HB2 PHE 74 HB2 PHE 74 -4.444 7.398 3.843 591 HB3 PHE 74 HB3 PHE 74 -4.039 8.495 2.527 592 HD1 PHE 74 HD1 PHE 74 -1.980 8.138 1.210 593 HD2 PHE 74 HD2 PHE 74 -3.298 5.344 4.138 594 HE1 PHE 74 HE1 PHE 74 -0.508 6.426 0.233 595 HE2 PHE 74 HE2 PHE 74 -1.828 3.627 3.166 596 HZ PHE 74 HZ PHE 74 -0.429 4.167 1.212 597 H ASP 75 H ASP 75 -4.381 8.223 6.304 598 HA ASP 75 HA ASP 75 -2.480 7.661 8.266 599 HB2 ASP 75 HB2 ASP 75 -4.348 6.412 9.400 600 HB3 ASP 75 HB3 ASP 75 -4.752 8.056 8.913 601 H GLY 76 H GLY 76 -2.758 5.271 9.372 602 HA2 GLY 76 HA2 GLY 76 -2.886 2.886 8.550 603 HA3 GLY 76 HA3 GLY 76 -1.797 3.422 7.279 604 H THR 77 H THR 77 -0.135 2.035 7.811 605 HA THR 77 HA THR 77 1.155 2.540 10.414 606 HB THR 77 HB THR 77 1.104 0.000 8.780 607 HG1 THR 77 HG1 THR 77 0.165 0.721 11.370 608 HG21 THR 77 HG21 THR 77 2.530 -0.943 10.592 609 HG22 THR 77 HG22 THR 77 2.754 0.694 11.212 610 HG23 THR 77 HG23 THR 77 3.351 0.268 9.608 611 H ILE 78 H ILE 78 3.330 2.951 10.459 612 HA ILE 78 HA ILE 78 4.628 3.295 7.837 613 HB ILE 78 HB ILE 78 4.293 5.417 8.988 614 HG12 ILE 78 HG12 ILE 78 7.219 4.735 9.221 615 HG13 ILE 78 HG13 ILE 78 6.418 4.858 7.659 616 HG21 ILE 78 HG21 ILE 78 5.863 4.140 11.220 617 HG22 ILE 78 HG22 ILE 78 5.495 5.861 11.117 618 HG23 ILE 78 HG23 ILE 78 4.188 4.687 11.272 619 HD11 ILE 78 HD11 ILE 78 6.236 7.113 7.779 620 HD12 ILE 78 HD12 ILE 78 6.105 7.123 9.538 621 HD13 ILE 78 HD13 ILE 78 7.677 6.897 8.772 622 H GLY 79 H GLY 79 6.768 2.652 7.567 623 HA2 GLY 79 HA2 GLY 79 7.602 0.506 9.333 624 HA3 GLY 79 HA3 GLY 79 8.344 0.950 7.802 625 H ASP 80 H ASP 80 10.443 0.968 8.533 626 HA ASP 80 HA ASP 80 11.085 2.876 10.676 627 HB2 ASP 80 HB2 ASP 80 11.898 0.641 11.131 628 HB3 ASP 80 HB3 ASP 80 12.679 0.564 9.553 629 H ALA 81 H ALA 81 12.788 4.370 10.399 630 HA ALA 81 HA ALA 81 12.886 5.610 7.874 631 HB1 ALA 81 HB1 ALA 81 13.253 7.069 9.622 632 HB2 ALA 81 HB2 ALA 81 14.375 5.979 10.438 633 HB3 ALA 81 HB3 ALA 81 14.885 6.846 8.989 634 H LEU 82 H LEU 82 14.586 5.818 6.382 635 HA LEU 82 HA LEU 82 16.407 3.517 6.344 636 HB2 LEU 82 HB2 LEU 82 15.194 5.238 4.227 637 HB3 LEU 82 HB3 LEU 82 16.688 4.367 3.895 638 HG LEU 82 HG LEU 82 14.119 3.055 4.772 639 HD11 LEU 82 HD11 LEU 82 15.284 3.426 2.019 640 HD12 LEU 82 HD12 LEU 82 13.744 4.040 2.619 641 HD13 LEU 82 HD13 LEU 82 13.979 2.305 2.409 642 HD21 LEU 82 HD21 LEU 82 15.201 1.001 4.115 643 HD22 LEU 82 HD22 LEU 82 16.208 1.841 5.295 644 HD23 LEU 82 HD23 LEU 82 16.632 1.886 3.583 645 H VAL 83 H VAL 83 16.313 7.028 6.002 646 HA VAL 83 HA VAL 83 19.248 7.101 5.968 647 HB VAL 83 HB VAL 83 19.128 9.314 5.145 648 HG11 VAL 83 HG11 VAL 83 17.764 9.103 3.130 649 HG12 VAL 83 HG12 VAL 83 18.615 7.598 3.484 650 HG13 VAL 83 HG13 VAL 83 16.897 7.749 3.853 651 HG21 VAL 83 HG21 VAL 83 16.388 9.250 6.274 652 HG22 VAL 83 HG22 VAL 83 17.595 10.535 6.301 653 HG23 VAL 83 HG23 VAL 83 16.651 10.243 4.841 654 H ASN 84 H ASN 84 20.063 9.231 7.121 655 HA ASN 84 HA ASN 84 18.916 9.203 9.835 656 HB2 ASN 84 HB2 ASN 84 21.469 10.202 10.121 657 HB3 ASN 84 HB3 ASN 84 20.984 8.536 10.424 658 HD21 ASN 84 HD21 ASN 84 21.276 6.987 8.739 659 HD22 ASN 84 HD22 ASN 84 22.502 7.223 7.545 660 H ILE 85 H ILE 85 19.859 11.303 11.044 661 HA ILE 85 HA ILE 85 18.722 13.537 9.566 662 HB ILE 85 HB ILE 85 19.600 13.297 12.445 663 HG12 ILE 85 HG12 ILE 85 16.871 13.436 11.145 664 HG13 ILE 85 HG13 ILE 85 17.581 12.033 11.936 665 HG21 ILE 85 HG21 ILE 85 19.919 15.576 11.683 666 HG22 ILE 85 HG22 ILE 85 18.284 15.608 11.024 667 HG23 ILE 85 HG23 ILE 85 18.530 15.489 12.765 668 HD11 ILE 85 HD11 ILE 85 16.806 14.621 13.258 669 HD12 ILE 85 HD12 ILE 85 15.953 13.082 13.374 670 HD13 ILE 85 HD13 ILE 85 17.567 13.250 14.064 671 H GLY 86 H GLY 86 19.787 15.468 9.138 672 HA2 GLY 86 HA2 GLY 86 21.580 16.928 8.925 673 HA3 GLY 86 HA3 GLY 86 22.547 15.835 9.905 674 H ASP 87 H ASP 87 20.936 14.349 7.297 675 HA ASP 87 HA ASP 87 23.445 14.343 5.749 676 HB2 ASP 87 HB2 ASP 87 22.043 12.178 6.827 677 HB3 ASP 87 HB3 ASP 87 21.646 12.158 5.110 678 H TYR 88 H TYR 88 23.375 14.716 3.574 679 HA TYR 88 HA TYR 88 21.190 16.202 2.560 680 HB2 TYR 88 HB2 TYR 88 23.497 16.583 1.815 681 HB3 TYR 88 HB3 TYR 88 23.536 14.980 1.088 682 HD1 TYR 88 HD1 TYR 88 22.046 14.491 -0.870 683 HD2 TYR 88 HD2 TYR 88 22.565 18.427 0.660 684 HE1 TYR 88 HE1 TYR 88 21.173 15.418 -2.975 685 HE2 TYR 88 HE2 TYR 88 21.692 19.365 -1.439 686 HH TYR 88 HH TYR 88 19.945 18.110 -3.429 687 H VAL 89 H VAL 89 19.661 15.698 1.007 688 HA VAL 89 HA VAL 89 19.525 13.024 -0.098 689 HB VAL 89 HB VAL 89 17.083 12.845 0.742 690 HG11 VAL 89 HG11 VAL 89 17.772 11.519 2.605 691 HG12 VAL 89 HG12 VAL 89 19.009 11.371 1.355 692 HG13 VAL 89 HG13 VAL 89 19.285 12.412 2.753 693 HG21 VAL 89 HG21 VAL 89 18.217 14.558 2.947 694 HG22 VAL 89 HG22 VAL 89 17.080 15.136 1.729 695 HG23 VAL 89 HG23 VAL 89 16.597 13.868 2.856 696 H SER 90 H SER 90 17.917 12.805 -1.749 697 HA SER 90 HA SER 90 17.466 15.273 -3.166 698 HB2 SER 90 HB2 SER 90 17.198 12.371 -3.769 699 HB3 SER 90 HB3 SER 90 16.202 13.483 -4.707 700 HG SER 90 HG SER 90 18.481 12.930 -5.427 701 H ALA 91 H ALA 91 15.141 15.116 -4.423 702 HA ALA 91 HA ALA 91 13.234 15.700 -2.339 703 HB1 ALA 91 HB1 ALA 91 11.752 16.150 -4.423 704 HB2 ALA 91 HB2 ALA 91 13.092 17.238 -4.058 705 HB3 ALA 91 HB3 ALA 91 13.270 16.011 -5.311 706 H SER 92 H SER 92 12.514 13.999 -5.355 707 HA SER 92 HA SER 92 10.873 12.115 -3.838 708 HB2 SER 92 HB2 SER 92 9.705 13.140 -5.659 709 HB3 SER 92 HB3 SER 92 11.018 12.787 -6.781 710 HG SER 92 HG SER 92 9.196 11.330 -6.912 711 H THR 93 H THR 93 13.972 12.238 -4.741 712 HA THR 93 HA THR 93 14.178 9.481 -5.693 713 HB THR 93 HB THR 93 16.627 11.090 -5.216 714 HG1 THR 93 HG1 THR 93 16.239 12.178 -7.255 715 HG21 THR 93 HG21 THR 93 17.444 9.453 -6.485 716 HG22 THR 93 HG22 THR 93 16.443 10.011 -7.826 717 HG23 THR 93 HG23 THR 93 15.824 8.795 -6.711 718 H THR 94 H THR 94 14.350 11.258 -2.811 719 HA THR 94 HA THR 94 16.127 9.371 -1.478 720 HB THR 94 HB THR 94 16.243 11.842 -1.012 721 HG1 THR 94 HG1 THR 94 17.041 10.260 0.479 722 HG21 THR 94 HG21 THR 94 13.812 11.442 0.702 723 HG22 THR 94 HG22 THR 94 13.671 12.011 -0.961 724 HG23 THR 94 HG23 THR 94 14.591 12.947 0.216 725 H GLU 95 H GLU 95 15.314 7.532 -0.731 726 HA GLU 95 HA GLU 95 12.497 7.449 0.094 727 HB2 GLU 95 HB2 GLU 95 12.971 4.906 0.050 728 HB3 GLU 95 HB3 GLU 95 12.813 5.761 -1.477 729 HG2 GLU 95 HG2 GLU 95 15.058 5.607 -1.955 730 HG3 GLU 95 HG3 GLU 95 15.512 5.409 -0.262 731 H LEU 96 H LEU 96 12.337 7.960 2.193 732 HA LEU 96 HA LEU 96 14.342 7.035 4.090 733 HB2 LEU 96 HB2 LEU 96 11.876 8.565 4.820 734 HB3 LEU 96 HB3 LEU 96 13.449 8.548 5.616 735 HG LEU 96 HG LEU 96 13.398 10.645 4.655 736 HD11 LEU 96 HD11 LEU 96 14.530 9.392 2.228 737 HD12 LEU 96 HD12 LEU 96 15.258 8.947 3.770 738 HD13 LEU 96 HD13 LEU 96 15.197 10.640 3.281 739 HD21 LEU 96 HD21 LEU 96 12.151 11.293 2.885 740 HD22 LEU 96 HD22 LEU 96 11.309 9.778 3.212 741 HD23 LEU 96 HD23 LEU 96 12.534 9.851 1.945 742 H VAL 97 H VAL 97 10.776 7.088 4.146 743 HA VAL 97 HA VAL 97 10.827 4.328 5.162 744 HB VAL 97 HB VAL 97 10.457 6.074 6.988 745 HG11 VAL 97 HG11 VAL 97 7.615 6.205 6.179 746 HG12 VAL 97 HG12 VAL 97 8.606 7.383 7.041 747 HG13 VAL 97 HG13 VAL 97 8.745 7.226 5.290 748 HG21 VAL 97 HG21 VAL 97 9.809 3.596 6.994 749 HG22 VAL 97 HG22 VAL 97 9.034 4.647 8.178 750 HG23 VAL 97 HG23 VAL 97 8.161 4.160 6.725 751 H ARG 98 H ARG 98 8.757 3.196 4.925 752 HA ARG 98 HA ARG 98 7.197 4.230 2.647 753 HB2 ARG 98 HB2 ARG 98 7.310 2.238 1.568 754 HB3 ARG 98 HB3 ARG 98 8.787 2.066 2.507 755 HG2 ARG 98 HG2 ARG 98 7.123 1.013 4.267 756 HG3 ARG 98 HG3 ARG 98 6.170 0.705 2.814 757 HD2 ARG 98 HD2 ARG 98 8.246 -0.326 1.820 758 HD3 ARG 98 HD3 ARG 98 8.968 -0.224 3.425 759 HE ARG 98 HE ARG 98 7.049 -2.136 2.525 760 HH11 ARG 98 HH11 ARG 98 8.175 -0.382 5.313 761 HH12 ARG 98 HH12 ARG 98 7.622 -1.570 6.446 762 HH21 ARG 98 HH21 ARG 98 6.316 -3.708 4.007 763 HH22 ARG 98 HH22 ARG 98 6.566 -3.462 5.702 764 H VAL 99 H VAL 99 4.965 3.592 2.554 765 HA VAL 99 HA VAL 99 3.812 3.283 5.229 766 HB VAL 99 HB VAL 99 3.175 5.119 3.426 767 HG11 VAL 99 HG11 VAL 99 2.528 3.176 1.849 768 HG12 VAL 99 HG12 VAL 99 1.056 3.093 2.818 769 HG13 VAL 99 HG13 VAL 99 1.463 4.578 1.956 770 HG21 VAL 99 HG21 VAL 99 1.648 3.757 5.545 771 HG22 VAL 99 HG22 VAL 99 2.050 5.464 5.352 772 HG23 VAL 99 HG23 VAL 99 0.705 4.767 4.450 773 H THR 100 H THR 100 2.316 1.703 5.733 774 HA THR 100 HA THR 100 1.804 -0.362 3.706 775 HB THR 100 HB THR 100 3.679 -1.139 5.107 776 HG1 THR 100 HG1 THR 100 2.721 -3.143 5.599 777 HG21 THR 100 HG21 THR 100 3.722 -0.965 7.338 778 HG22 THR 100 HG22 THR 100 2.098 -1.635 7.497 779 HG23 THR 100 HG23 THR 100 2.315 0.086 7.178 780 H ASN 101 H ASN 101 0.119 -1.970 4.560 781 HA ASN 101 HA ASN 101 -1.957 -2.419 5.388 782 HB2 ASN 101 HB2 ASN 101 -0.760 -1.035 7.445 783 HB3 ASN 101 HB3 ASN 101 -2.214 -0.087 7.148 784 HD21 ASN 101 HD21 ASN 101 -3.889 -0.670 8.304 785 HD22 ASN 101 HD22 ASN 101 -4.219 -2.258 8.900 786 H LEU 102 H LEU 102 -4.095 -0.870 6.035 787 HA LEU 102 HA LEU 102 -5.749 0.424 5.163 788 HB2 LEU 102 HB2 LEU 102 -3.506 1.996 5.101 789 HB3 LEU 102 HB3 LEU 102 -4.055 2.055 3.427 790 HG LEU 102 HG LEU 102 -6.344 2.520 4.953 791 HD11 LEU 102 HD11 LEU 102 -5.250 4.684 6.101 792 HD12 LEU 102 HD12 LEU 102 -3.917 3.544 6.283 793 HD13 LEU 102 HD13 LEU 102 -5.504 3.158 6.948 794 HD21 LEU 102 HD21 LEU 102 -4.637 3.901 3.039 795 HD22 LEU 102 HD22 LEU 102 -5.473 4.998 4.138 796 HD23 LEU 102 HD23 LEU 102 -6.396 3.854 3.163 797 H ASN 103 H ASN 103 -6.245 1.540 2.748 798 HA ASN 103 HA ASN 103 -6.041 -0.763 0.927 799 HB2 ASN 103 HB2 ASN 103 -8.147 1.381 1.214 800 HB3 ASN 103 HB3 ASN 103 -8.073 0.303 -0.177 801 HD21 ASN 103 HD21 ASN 103 -9.665 0.769 2.557 802 HD22 ASN 103 HD22 ASN 103 -10.046 -0.856 2.999 803 HA PRO 104 HA PRO 104 -3.746 1.583 -1.990 804 HB2 PRO 104 HB2 PRO 104 -4.622 0.499 -4.320 805 HB3 PRO 104 HB3 PRO 104 -3.549 -0.357 -3.206 806 HG2 PRO 104 HG2 PRO 104 -6.513 -0.602 -3.544 807 HG3 PRO 104 HG3 PRO 104 -5.302 -1.879 -3.329 808 HD2 PRO 104 HD2 PRO 104 -6.859 -0.992 -1.300 809 HD3 PRO 104 HD3 PRO 104 -5.202 -1.573 -1.047 810 H ILE 105 H ILE 105 -4.082 2.785 -4.167 811 HA ILE 105 HA ILE 105 -6.736 3.992 -4.374 812 HB ILE 105 HB ILE 105 -4.238 5.662 -4.076 813 HG12 ILE 105 HG12 ILE 105 -5.032 4.576 -1.958 814 HG13 ILE 105 HG13 ILE 105 -5.075 6.336 -1.925 815 HG21 ILE 105 HG21 ILE 105 -5.542 7.003 -5.367 816 HG22 ILE 105 HG22 ILE 105 -7.042 6.244 -4.836 817 HG23 ILE 105 HG23 ILE 105 -6.226 7.406 -3.791 818 HD11 ILE 105 HD11 ILE 105 -7.574 5.211 -2.850 819 HD12 ILE 105 HD12 ILE 105 -7.126 4.625 -1.248 820 HD13 ILE 105 HD13 ILE 105 -7.259 6.358 -1.548 821 H TYR 106 H TYR 106 -7.242 4.753 -6.400 822 HA TYR 106 HA TYR 106 -5.304 5.165 -8.448 823 HB2 TYR 106 HB2 TYR 106 -6.277 3.268 -9.904 824 HB3 TYR 106 HB3 TYR 106 -5.091 2.845 -8.675 825 HD1 TYR 106 HD1 TYR 106 -5.782 1.665 -6.637 826 HD2 TYR 106 HD2 TYR 106 -8.567 2.542 -9.730 827 HE1 TYR 106 HE1 TYR 106 -7.357 0.042 -5.671 828 HE2 TYR 106 HE2 TYR 106 -10.150 0.923 -8.772 829 HH TYR 106 HH TYR 106 -9.359 -1.405 -6.682 830 H ALA 107 H ALA 107 -7.595 6.492 -7.249 831 HA ALA 107 HA ALA 107 -8.762 7.591 -9.545 832 HB1 ALA 107 HB1 ALA 107 -11.157 6.609 -8.598 833 HB2 ALA 107 HB2 ALA 107 -10.313 6.070 -10.051 834 HB3 ALA 107 HB3 ALA 107 -10.085 5.210 -8.529 835 H ASP 108 H ASP 108 -10.277 9.278 -9.069 836 HA ASP 108 HA ASP 108 -10.925 11.098 -7.860 837 HB2 ASP 108 HB2 ASP 108 -12.538 9.443 -7.001 838 HB3 ASP 108 HB3 ASP 108 -11.404 9.005 -5.727 839 H GLY 109 H GLY 109 -8.475 11.504 -7.951 840 HA2 GLY 109 HA2 GLY 109 -6.987 11.180 -5.524 841 HA3 GLY 109 HA3 GLY 109 -6.507 12.131 -6.922 842 H SER 110 H SER 110 -6.025 14.105 -6.221 843 HA SER 110 HA SER 110 -7.301 15.289 -3.948 844 HB2 SER 110 HB2 SER 110 -4.962 15.781 -4.423 845 HB3 SER 110 HB3 SER 110 -5.397 16.463 -5.990 846 HG SER 110 HG SER 110 -5.544 18.264 -4.922 847 H HIS 111 H HIS 111 -7.743 15.404 -7.392 848 HA HIS 111 HA HIS 111 -9.724 17.556 -7.092 849 HB2 HIS 111 HB2 HIS 111 -9.475 18.011 -9.421 850 HB3 HIS 111 HB3 HIS 111 -7.851 17.839 -8.764 851 HD1 HIS 111 HD1 HIS 111 -10.308 16.162 -11.034 852 HD2 HIS 111 HD2 HIS 111 -6.396 15.660 -9.730 853 HE1 HIS 111 HE1 HIS 111 -9.317 14.410 -12.542 854 H HIS 112 H HIS 112 -11.623 17.337 -8.654 855 HA HIS 112 HA HIS 112 -12.735 14.652 -8.313 856 HB2 HIS 112 HB2 HIS 112 -13.831 17.377 -8.384 857 HB3 HIS 112 HB3 HIS 112 -14.791 16.195 -9.269 858 HD1 HIS 112 HD1 HIS 112 -13.126 16.329 -5.840 859 HD2 HIS 112 HD2 HIS 112 -16.632 15.057 -7.669 860 HE1 HIS 112 HE1 HIS 112 -14.555 15.409 -3.986 861 H HIS 113 H HIS 113 -13.940 13.649 -10.034 862 HA HIS 113 HA HIS 113 -12.568 13.604 -12.482 863 HB2 HIS 113 HB2 HIS 113 -14.208 12.036 -13.217 864 HB3 HIS 113 HB3 HIS 113 -13.972 11.748 -11.496 865 HD1 HIS 113 HD1 HIS 113 -15.833 13.672 -10.186 866 HD2 HIS 113 HD2 HIS 113 -16.839 11.636 -13.665 867 HE1 HIS 113 HE1 HIS 113 -18.347 13.665 -10.258 868 H HIS 114 H HIS 114 -12.985 14.474 -14.475 869 HA HIS 114 HA HIS 114 -15.360 15.861 -15.150 870 HB2 HIS 114 HB2 HIS 114 -13.628 17.356 -13.554 871 HB3 HIS 114 HB3 HIS 114 -13.314 17.921 -15.192 872 HD1 HIS 114 HD1 HIS 114 -14.945 19.301 -12.674 873 HD2 HIS 114 HD2 HIS 114 -16.432 17.861 -16.277 874 HE1 HIS 114 HE1 HIS 114 -17.124 20.506 -13.032 875 H HIS 115 H HIS 115 -15.498 15.473 -17.250 876 HA HIS 115 HA HIS 115 -13.419 14.578 -18.870 877 HB2 HIS 115 HB2 HIS 115 -14.935 14.936 -20.754 878 HB3 HIS 115 HB3 HIS 115 -15.801 14.233 -19.392 879 HD1 HIS 115 HD1 HIS 115 -17.583 15.694 -18.236 880 HD2 HIS 115 HD2 HIS 115 -15.697 17.545 -21.441 881 HE1 HIS 115 HE1 HIS 115 -18.964 17.734 -18.742 882 H HIS 116 H HIS 116 -12.808 15.714 -20.998 883 HA HIS 116 HA HIS 116 -12.611 18.577 -20.924 884 HB2 HIS 116 HB2 HIS 116 -10.695 17.331 -19.450 885 HB3 HIS 116 HB3 HIS 116 -9.910 17.390 -21.025 886 HD1 HIS 116 HD1 HIS 116 -12.065 20.017 -19.314 887 HD2 HIS 116 HD2 HIS 116 -8.231 19.504 -20.828 888 HE1 HIS 116 HE1 HIS 116 -10.955 22.263 -19.104 889 H2 B6D 117 H2 B6D 117 25.297 29.326 9.517 890 H1 B6D 117 H1 B6D 117 22.369 29.567 8.601 891 H3 B6D 117 H3 B6D 117 22.763 27.956 10.545 892 HN2 B6D 117 HN2 B6D 117 25.369 27.439 8.263 893 H5 B6D 117 H5 B6D 117 21.733 30.352 10.972 894 H8 B6D 117 H22 B6D 117 24.678 25.715 6.766 895 H8A B6D 117 H21 B6D 117 24.036 26.894 5.598 896 H8B B6D 117 H23 B6D 117 22.968 25.636 6.277 897 H4 B6D 117 H4 B6D 117 24.643 29.985 11.846 898 HN4 B6D 117 HN4 B6D 117 23.741 29.130 13.736 899 H9 B6D 117 H43 B6D 117 22.283 28.274 15.212 900 H9A B6D 117 H41 B6D 117 20.877 29.359 15.055 901 H9B B6D 117 H42 B6D 117 20.706 27.629 14.670 902 H6 B6D 117 H62 B6D 117 21.868 32.592 11.682 903 H6A B6D 117 H63 B6D 117 22.747 31.759 12.980 904 H6B B6D 117 H61 B6D 117 23.641 32.593 11.698 905 H1 A2G 118 H1 A2G 118 23.122 26.442 12.386 906 H2 A2G 118 H2 A2G 118 24.546 24.520 13.087 907 H3 A2G 118 H3 A2G 118 26.697 26.005 11.499 908 H4 A2G 118 H4 A2G 118 26.791 23.993 10.147 909 H5 A2G 118 H5 A2G 118 25.243 25.590 9.444 910 H61 A2G 118 H61 A2G 118 24.290 22.823 8.976 911 H62 A2G 118 H62 A2G 118 24.861 24.063 7.850 912 H81 A2G 118 H81 A2G 118 25.646 26.544 16.861 913 H82 A2G 118 H82 A2G 118 24.122 27.468 16.818 914 H83 A2G 118 H83 A2G 118 25.511 28.009 15.843 915 HO3 A2G 118 HO3 A2G 118 28.137 24.606 12.341 916 HO6 A2G 118 HO6 A2G 118 22.295 23.790 9.007 917 HN2 A2G 118 HN2 A2G 118 26.147 26.794 13.912 918 H1 A2G 119 H1 A2G 119 26.001 21.819 9.517 919 H2 A2G 119 H2 A2G 119 25.278 19.580 10.344 920 H3 A2G 119 H3 A2G 119 24.456 21.168 12.826 921 H4 A2G 119 H4 A2G 119 26.021 19.732 14.002 922 H5 A2G 119 H5 A2G 119 26.937 21.688 13.121 923 H61 A2G 119 H61 A2G 119 29.123 19.768 12.352 924 H62 A2G 119 H62 A2G 119 28.635 20.061 14.027 925 H81 A2G 119 H81 A2G 119 21.313 19.692 7.993 926 H82 A2G 119 H82 A2G 119 21.789 21.366 8.373 927 H83 A2G 119 H83 A2G 119 20.768 20.459 9.515 928 HO3 A2G 119 HO3 A2G 119 23.847 18.931 13.488 929 HO6 A2G 119 HO6 A2G 119 30.236 21.532 13.588 930 HN2 A2G 119 HN2 A2G 119 23.291 21.748 10.236 931 H1 A2G 120 H1 A2G 120 27.527 17.968 14.162 932 H2 A2G 120 H2 A2G 120 28.288 15.746 13.323 933 H3 A2G 120 H3 A2G 120 26.840 16.620 10.774 934 H4 A2G 120 H4 A2G 120 25.475 14.646 11.124 935 H5 A2G 120 H5 A2G 120 24.701 16.585 12.164 936 H61 A2G 120 H61 A2G 120 24.121 15.002 14.581 937 H62 A2G 120 H62 A2G 120 23.726 14.239 13.034 938 H81 A2G 120 H81 A2G 120 31.128 19.313 12.114 939 H82 A2G 120 H82 A2G 120 31.754 17.727 11.598 940 H83 A2G 120 H83 A2G 120 32.212 18.382 13.189 941 HO6 A2G 120 HO6 A2G 120 22.766 16.704 14.061 942 HN2 A2G 120 HN2 A2G 120 29.299 17.391 11.211 943 H1 A2G 121 H1 A2G 121 24.816 12.758 12.239 944 H2 A2G 121 H2 A2G 121 25.271 10.908 13.846 945 H3 A2G 121 H3 A2G 121 27.676 12.643 14.601 946 H4 A2G 121 H4 A2G 121 29.003 10.729 13.920 947 H5 A2G 121 H5 A2G 121 28.508 12.247 12.221 948 H61 A2G 121 H61 A2G 121 28.201 10.737 10.061 949 H62 A2G 121 H62 A2G 121 28.531 9.457 11.237 950 H81 A2G 121 H81 A2G 121 23.509 13.841 16.697 951 H82 A2G 121 H82 A2G 121 22.229 12.617 16.900 952 H83 A2G 121 H83 A2G 121 22.131 13.784 15.557 953 HO3 A2G 121 HO3 A2G 121 26.792 11.795 16.466 954 HO6 A2G 121 HO6 A2G 121 30.176 11.708 10.650 955 HN2 A2G 121 HN2 A2G 121 25.262 13.481 15.300 956 H1 A2G 122 H1 A2G 122 29.215 8.414 13.095 957 H2 A2G 122 H2 A2G 122 28.298 6.139 13.537 958 H3 A2G 122 H3 A2G 122 25.719 7.686 14.100 959 H4 A2G 122 H4 A2G 122 25.869 6.716 16.319 960 H5 A2G 122 H5 A2G 122 26.971 8.754 16.049 961 H61 A2G 122 H61 A2G 122 29.267 7.731 17.560 962 H62 A2G 122 H62 A2G 122 27.685 7.209 18.158 963 H81 A2G 122 H81 A2G 122 26.431 6.732 9.483 964 H82 A2G 122 H82 A2G 122 26.990 5.072 9.156 965 H83 A2G 122 H83 A2G 122 28.149 6.422 9.089 966 HO3 A2G 122 HO3 A2G 122 26.175 5.019 13.426 967 HO6 A2G 122 HO6 A2G 122 28.740 9.495 18.665 968 HN2 A2G 122 HN2 A2G 122 26.903 7.778 11.515 969 H2 BGC 123 H2 BGC 123 29.463 13.474 9.145 970 H3 BGC 123 H3 BGC 123 28.237 14.145 6.440 971 H4 BGC 123 H4 BGC 123 27.585 11.582 7.989 972 H5 BGC 123 H5 BGC 123 25.806 14.029 7.501 973 H6C1 BGC 123 H61 BGC 123 24.001 12.705 7.889 974 H6C2 BGC 123 H62 BGC 123 25.043 11.275 7.996 975 H1 BGC 123 H1 BGC 123 27.252 15.566 8.814 976 HB BGC 123 HO2 BGC 123 29.820 15.823 8.938 977 HC BGC 123 HO3 BGC 123 29.390 12.150 5.989 978 HD BGC 123 HO4 BGC 123 27.489 12.285 5.441 979 H6 BGC 123 HO6 BGC 123 24.823 11.352 10.113 Start of MODEL 7 1 H1 ASP 1 H ASP 1 1.734 -0.507 -2.971 2 HA ASP 1 HA ASP 1 1.914 -0.167 -0.347 3 HB2 ASP 1 HB2 ASP 1 4.184 -0.422 0.413 4 HB3 ASP 1 HB3 ASP 1 3.679 -1.942 -0.319 5 H VAL 2 H VAL 2 2.807 1.862 0.345 6 HA VAL 2 HA VAL 2 3.525 3.620 -1.910 7 HB VAL 2 HB VAL 2 1.270 4.013 -0.808 8 HG11 VAL 2 HG11 VAL 2 1.087 4.435 1.373 9 HG12 VAL 2 HG12 VAL 2 2.752 3.868 1.522 10 HG13 VAL 2 HG13 VAL 2 2.418 5.591 1.339 11 HG21 VAL 2 HG21 VAL 2 3.121 6.373 -0.611 12 HG22 VAL 2 HG22 VAL 2 2.634 5.678 -2.157 13 HG23 VAL 2 HG23 VAL 2 1.420 6.353 -1.071 14 H ILE 3 H ILE 3 4.981 5.357 -1.478 15 HA ILE 3 HA ILE 3 6.711 4.880 0.861 16 HB ILE 3 HB ILE 3 7.621 6.035 -1.771 17 HG12 ILE 3 HG12 ILE 3 7.719 3.186 -0.769 18 HG13 ILE 3 HG13 ILE 3 6.928 3.777 -2.225 19 HG21 ILE 3 HG21 ILE 3 9.178 4.886 0.542 20 HG22 ILE 3 HG22 ILE 3 9.847 5.606 -0.921 21 HG23 ILE 3 HG23 ILE 3 8.951 6.605 0.222 22 HD11 ILE 3 HD11 ILE 3 9.796 3.248 -1.702 23 HD12 ILE 3 HD12 ILE 3 8.817 2.899 -3.127 24 HD13 ILE 3 HD13 ILE 3 9.376 4.543 -2.822 25 H ILE 4 H ILE 4 7.352 6.605 2.071 26 HA ILE 4 HA ILE 4 6.039 9.158 1.472 27 HB ILE 4 HB ILE 4 7.069 7.950 4.022 28 HG12 ILE 4 HG12 ILE 4 4.404 9.058 3.122 29 HG13 ILE 4 HG13 ILE 4 4.799 7.372 3.433 30 HG21 ILE 4 HG21 ILE 4 6.488 10.110 5.123 31 HG22 ILE 4 HG22 ILE 4 7.905 10.191 4.076 32 HG23 ILE 4 HG23 ILE 4 6.359 10.835 3.521 33 HD11 ILE 4 HD11 ILE 4 5.207 8.000 5.815 34 HD12 ILE 4 HD12 ILE 4 4.564 9.597 5.434 35 HD13 ILE 4 HD13 ILE 4 3.538 8.172 5.272 36 H LYS 5 H LYS 5 7.258 10.603 0.463 37 HA LYS 5 HA LYS 5 10.038 10.959 1.350 38 HB2 LYS 5 HB2 LYS 5 10.260 11.678 -1.238 39 HB3 LYS 5 HB3 LYS 5 10.614 10.058 -0.650 40 HG2 LYS 5 HG2 LYS 5 7.815 10.605 -1.421 41 HG3 LYS 5 HG3 LYS 5 9.006 10.540 -2.721 42 HD2 LYS 5 HD2 LYS 5 8.742 8.393 -0.625 43 HD3 LYS 5 HD3 LYS 5 7.862 8.357 -2.154 44 HE2 LYS 5 HE2 LYS 5 10.860 8.430 -1.821 45 HE3 LYS 5 HE3 LYS 5 9.899 7.029 -2.291 46 HZ1 LYS 5 HZ1 LYS 5 9.126 8.765 -4.133 47 HZ2 LYS 5 HZ2 LYS 5 10.454 7.739 -4.341 48 HZ3 LYS 5 HZ3 LYS 5 10.692 9.344 -3.861 49 HA PRO 6 HA PRO 6 9.236 15.268 1.546 50 HB2 PRO 6 HB2 PRO 6 11.501 16.368 0.531 51 HB3 PRO 6 HB3 PRO 6 11.442 15.575 2.110 52 HG2 PRO 6 HG2 PRO 6 12.399 14.501 -0.515 53 HG3 PRO 6 HG3 PRO 6 13.125 14.332 1.094 54 HD2 PRO 6 HD2 PRO 6 11.654 12.371 -0.054 55 HD3 PRO 6 HD3 PRO 6 11.689 12.635 1.701 56 H GLN 7 H GLN 7 9.730 17.392 0.079 57 HA GLN 7 HA GLN 7 8.680 16.771 -2.603 58 HB2 GLN 7 HB2 GLN 7 7.658 19.144 -2.384 59 HB3 GLN 7 HB3 GLN 7 6.874 17.801 -1.562 60 HG2 GLN 7 HG2 GLN 7 8.909 19.331 -0.049 61 HG3 GLN 7 HG3 GLN 7 7.361 20.113 -0.368 62 HE21 GLN 7 HE21 GLN 7 9.035 18.131 1.703 63 HE22 GLN 7 HE22 GLN 7 7.703 17.451 2.568 64 H VAL 8 H VAL 8 11.328 17.823 -1.018 65 HA VAL 8 HA VAL 8 12.393 19.097 -3.390 66 HB VAL 8 HB VAL 8 13.319 21.017 -1.971 67 HG11 VAL 8 HG11 VAL 8 10.363 21.276 -2.272 68 HG12 VAL 8 HG12 VAL 8 11.645 22.404 -2.717 69 HG13 VAL 8 HG13 VAL 8 11.350 20.971 -3.701 70 HG21 VAL 8 HG21 VAL 8 10.957 21.026 -0.277 71 HG22 VAL 8 HG22 VAL 8 12.032 19.670 0.067 72 HG23 VAL 8 HG23 VAL 8 12.646 21.322 0.136 73 H SER 9 H SER 9 14.749 19.553 -3.153 74 HA SER 9 HA SER 9 15.984 17.392 -1.633 75 HB2 SER 9 HB2 SER 9 17.587 17.339 -3.240 76 HB3 SER 9 HB3 SER 9 16.405 18.247 -4.182 77 HG SER 9 HG SER 9 18.727 19.063 -3.816 78 H GLY 10 H GLY 10 17.756 17.702 -0.237 79 HA2 GLY 10 HA2 GLY 10 19.069 20.026 0.403 80 HA3 GLY 10 HA3 GLY 10 17.586 20.081 1.346 81 H VAL 11 H VAL 11 17.940 19.484 3.369 82 HA VAL 11 HA VAL 11 19.426 17.021 3.883 83 HB VAL 11 HB VAL 11 20.026 19.559 5.404 84 HG11 VAL 11 HG11 VAL 11 22.050 17.989 6.015 85 HG12 VAL 11 HG12 VAL 11 20.521 17.888 6.890 86 HG13 VAL 11 HG13 VAL 11 20.893 16.720 5.621 87 HG21 VAL 11 HG21 VAL 11 21.028 19.969 3.352 88 HG22 VAL 11 HG22 VAL 11 22.324 19.198 4.266 89 HG23 VAL 11 HG23 VAL 11 21.405 18.268 3.081 90 H ILE 12 H ILE 12 18.656 15.858 5.580 91 HA ILE 12 HA ILE 12 16.078 16.340 6.543 92 HB ILE 12 HB ILE 12 18.254 14.554 7.628 93 HG12 ILE 12 HG12 ILE 12 17.335 14.076 5.345 94 HG13 ILE 12 HG13 ILE 12 17.074 12.781 6.508 95 HG21 ILE 12 HG21 ILE 12 16.872 14.891 9.486 96 HG22 ILE 12 HG22 ILE 12 15.408 14.916 8.503 97 HG23 ILE 12 HG23 ILE 12 16.271 13.400 8.761 98 HD11 ILE 12 HD11 ILE 12 14.854 14.598 6.526 99 HD12 ILE 12 HD12 ILE 12 15.177 14.022 4.891 100 HD13 ILE 12 HD13 ILE 12 14.890 12.867 6.192 101 H VAL 13 H VAL 13 15.268 17.138 8.451 102 HA VAL 13 HA VAL 13 17.175 18.645 10.117 103 HB VAL 13 HB VAL 13 14.249 19.287 9.991 104 HG11 VAL 13 HG11 VAL 13 16.348 20.255 11.489 105 HG12 VAL 13 HG12 VAL 13 16.184 21.450 10.200 106 HG13 VAL 13 HG13 VAL 13 14.802 21.063 11.227 107 HG21 VAL 13 HG21 VAL 13 15.163 21.115 8.311 108 HG22 VAL 13 HG22 VAL 13 16.321 19.840 7.933 109 HG23 VAL 13 HG23 VAL 13 14.593 19.544 7.747 110 H ASN 14 H ASN 14 14.454 16.447 10.100 111 HA ASN 14 HA ASN 14 15.089 15.351 12.612 112 HB2 ASN 14 HB2 ASN 14 14.034 17.661 13.184 113 HB3 ASN 14 HB3 ASN 14 12.512 16.887 12.754 114 HD21 ASN 14 HD21 ASN 14 12.029 17.400 15.018 115 HD22 ASN 14 HD22 ASN 14 12.498 16.266 16.235 116 H LYS 15 H LYS 15 13.218 13.915 13.421 117 HA LYS 15 HA LYS 15 11.510 13.020 11.214 118 HB2 LYS 15 HB2 LYS 15 13.294 11.191 12.832 119 HB3 LYS 15 HB3 LYS 15 12.111 10.671 11.639 120 HG2 LYS 15 HG2 LYS 15 13.578 10.917 10.002 121 HG3 LYS 15 HG3 LYS 15 13.883 12.593 10.467 122 HD2 LYS 15 HD2 LYS 15 15.953 11.355 10.548 123 HD3 LYS 15 HD3 LYS 15 15.466 11.779 12.191 124 HE2 LYS 15 HE2 LYS 15 14.662 9.560 12.591 125 HE3 LYS 15 HE3 LYS 15 14.888 9.118 10.899 126 HZ1 LYS 15 HZ1 LYS 15 17.290 10.087 12.125 127 HZ2 LYS 15 HZ2 LYS 15 17.025 8.665 11.248 128 HZ3 LYS 15 HZ3 LYS 15 16.680 8.714 12.903 129 H LEU 16 H LEU 16 9.647 13.665 12.217 130 HA LEU 16 HA LEU 16 9.127 12.869 14.963 131 HB2 LEU 16 HB2 LEU 16 7.084 14.151 13.209 132 HB3 LEU 16 HB3 LEU 16 7.346 14.331 14.943 133 HG LEU 16 HG LEU 16 9.047 15.535 12.761 134 HD11 LEU 16 HD11 LEU 16 7.822 17.396 12.893 135 HD12 LEU 16 HD12 LEU 16 7.684 17.293 14.648 136 HD13 LEU 16 HD13 LEU 16 6.586 16.369 13.623 137 HD21 LEU 16 HD21 LEU 16 9.666 16.826 15.076 138 HD22 LEU 16 HD22 LEU 16 10.612 15.518 14.366 139 HD23 LEU 16 HD23 LEU 16 9.442 15.171 15.641 140 H PHE 17 H PHE 17 9.403 10.567 13.895 141 HA PHE 17 HA PHE 17 6.714 9.483 13.730 142 HB2 PHE 17 HB2 PHE 17 6.813 8.599 11.623 143 HB3 PHE 17 HB3 PHE 17 7.829 10.013 11.362 144 HD1 PHE 17 HD2 PHE 17 10.379 9.658 11.780 145 HD2 PHE 17 HD1 PHE 17 7.604 6.517 11.043 146 HE1 PHE 17 HE2 PHE 17 12.226 8.199 11.065 147 HE2 PHE 17 HE1 PHE 17 9.446 5.053 10.327 148 HZ PHE 17 HZ PHE 17 11.761 5.893 10.337 149 H LYS 18 H LYS 18 6.805 7.024 13.684 150 HA LYS 18 HA LYS 18 9.171 6.044 15.134 151 HB2 LYS 18 HB2 LYS 18 6.268 5.759 15.846 152 HB3 LYS 18 HB3 LYS 18 7.435 4.548 16.363 153 HG2 LYS 18 HG2 LYS 18 7.959 7.432 16.921 154 HG3 LYS 18 HG3 LYS 18 6.823 6.531 17.927 155 HD2 LYS 18 HD2 LYS 18 8.490 5.007 18.616 156 HD3 LYS 18 HD3 LYS 18 9.605 5.540 17.356 157 HE2 LYS 18 HE2 LYS 18 9.391 7.851 18.564 158 HE3 LYS 18 HE3 LYS 18 8.862 6.867 19.927 159 HZ1 LYS 18 HZ1 LYS 18 11.273 5.965 18.591 160 HZ2 LYS 18 HZ2 LYS 18 10.915 6.044 20.242 161 HZ3 LYS 18 HZ3 LYS 18 11.412 7.435 19.417 162 H ALA 19 H ALA 19 9.481 3.715 15.025 163 HA ALA 19 HA ALA 19 8.786 2.703 12.393 164 HB1 ALA 19 HB1 ALA 19 10.319 0.898 14.070 165 HB2 ALA 19 HB2 ALA 19 10.718 1.598 12.501 166 HB3 ALA 19 HB3 ALA 19 11.040 2.505 13.978 167 H GLY 20 H GLY 20 6.824 1.796 12.236 168 HA2 GLY 20 HA2 GLY 20 5.451 -0.114 12.482 169 HA3 GLY 20 HA3 GLY 20 6.214 -0.434 14.033 170 H ASP 21 H ASP 21 5.172 2.786 13.347 171 HA ASP 21 HA ASP 21 3.013 2.459 15.314 172 HB2 ASP 21 HB2 ASP 21 5.090 4.301 15.196 173 HB3 ASP 21 HB3 ASP 21 3.689 5.206 14.628 174 H LYS 22 H LYS 22 1.203 4.153 14.985 175 HA LYS 22 HA LYS 22 0.148 3.722 12.313 176 HB2 LYS 22 HB2 LYS 22 -1.948 4.661 13.267 177 HB3 LYS 22 HB3 LYS 22 -1.343 3.266 14.151 178 HG2 LYS 22 HG2 LYS 22 -0.230 5.598 15.324 179 HG3 LYS 22 HG3 LYS 22 -1.967 5.848 15.130 180 HD2 LYS 22 HD2 LYS 22 -2.251 3.539 16.171 181 HD3 LYS 22 HD3 LYS 22 -0.549 3.655 16.623 182 HE2 LYS 22 HE2 LYS 22 -1.137 5.862 17.721 183 HE3 LYS 22 HE3 LYS 22 -2.827 5.421 17.486 184 HZ1 LYS 22 HZ1 LYS 22 -2.147 4.783 19.673 185 HZ2 LYS 22 HZ2 LYS 22 -0.811 3.933 19.077 186 HZ3 LYS 22 HZ3 LYS 22 -2.378 3.376 18.764 187 H VAL 23 H VAL 23 -0.275 5.280 10.819 188 HA VAL 23 HA VAL 23 0.823 7.946 11.383 189 HB VAL 23 HB VAL 23 0.117 7.066 8.618 190 HG11 VAL 23 HG11 VAL 23 0.854 9.281 8.717 191 HG12 VAL 23 HG12 VAL 23 2.121 8.904 9.887 192 HG13 VAL 23 HG13 VAL 23 2.281 8.377 8.211 193 HG21 VAL 23 HG21 VAL 23 1.310 5.149 9.438 194 HG22 VAL 23 HG22 VAL 23 2.386 6.073 8.390 195 HG23 VAL 23 HG23 VAL 23 2.561 6.174 10.142 196 H LYS 24 H LYS 24 -0.262 9.776 10.228 197 HA LYS 24 HA LYS 24 -3.171 9.395 10.028 198 HB2 LYS 24 HB2 LYS 24 -3.056 10.381 12.130 199 HB3 LYS 24 HB3 LYS 24 -1.659 11.361 11.706 200 HG2 LYS 24 HG2 LYS 24 -3.482 12.841 11.904 201 HG3 LYS 24 HG3 LYS 24 -3.175 12.662 10.175 202 HD2 LYS 24 HD2 LYS 24 -4.960 10.706 10.473 203 HD3 LYS 24 HD3 LYS 24 -5.473 11.739 11.809 204 HE2 LYS 24 HE2 LYS 24 -4.986 12.938 9.117 205 HE3 LYS 24 HE3 LYS 24 -6.484 12.059 9.416 206 HZ1 LYS 24 HZ1 LYS 24 -5.822 14.684 10.159 207 HZ2 LYS 24 HZ2 LYS 24 -6.067 13.782 11.569 208 HZ3 LYS 24 HZ3 LYS 24 -7.282 13.861 10.393 209 H LYS 25 H LYS 25 -4.252 10.786 8.604 210 HA LYS 25 HA LYS 25 -2.876 11.505 6.282 211 HB2 LYS 25 HB2 LYS 25 -5.526 12.612 7.225 212 HB3 LYS 25 HB3 LYS 25 -4.939 12.567 5.568 213 HG2 LYS 25 HG2 LYS 25 -5.176 10.234 5.434 214 HG3 LYS 25 HG3 LYS 25 -5.353 10.072 7.183 215 HD2 LYS 25 HD2 LYS 25 -7.536 9.856 6.433 216 HD3 LYS 25 HD3 LYS 25 -7.447 11.566 6.858 217 HE2 LYS 25 HE2 LYS 25 -7.467 12.250 4.666 218 HE3 LYS 25 HE3 LYS 25 -6.770 10.743 4.077 219 HZ1 LYS 25 HZ1 LYS 25 -9.324 10.331 5.274 220 HZ2 LYS 25 HZ2 LYS 25 -8.781 9.903 3.731 221 HZ3 LYS 25 HZ3 LYS 25 -9.413 11.448 4.007 222 H GLY 26 H GLY 26 -1.169 12.879 6.548 223 HA2 GLY 26 HA2 GLY 26 -0.456 15.133 6.289 224 HA3 GLY 26 HA3 GLY 26 -1.872 15.654 7.190 225 H GLN 27 H GLN 27 -0.229 12.987 8.534 226 HA GLN 27 HA GLN 27 0.576 14.585 10.803 227 HB2 GLN 27 HB2 GLN 27 -0.362 12.047 10.580 228 HB3 GLN 27 HB3 GLN 27 1.365 11.744 10.706 229 HG2 GLN 27 HG2 GLN 27 0.960 13.556 12.704 230 HG3 GLN 27 HG3 GLN 27 -0.541 12.632 12.727 231 HE21 GLN 27 HE21 GLN 27 0.277 10.140 12.068 232 HE22 GLN 27 HE22 GLN 27 1.353 9.522 13.269 233 H THR 28 H THR 28 2.547 15.353 11.183 234 HA THR 28 HA THR 28 4.609 15.222 9.285 235 HB THR 28 HB THR 28 5.201 15.836 12.158 236 HG1 THR 28 HG1 THR 28 4.364 18.016 11.576 237 HG21 THR 28 HG21 THR 28 6.392 16.334 9.568 238 HG22 THR 28 HG22 THR 28 7.085 16.527 11.178 239 HG23 THR 28 HG23 THR 28 6.143 17.834 10.461 240 H LEU 29 H LEU 29 6.400 13.975 9.078 241 HA LEU 29 HA LEU 29 6.943 11.954 11.134 242 HB2 LEU 29 HB2 LEU 29 6.872 11.355 8.184 243 HB3 LEU 29 HB3 LEU 29 7.189 10.216 9.490 244 HG LEU 29 HG LEU 29 4.565 11.633 9.411 245 HD11 LEU 29 HD11 LEU 29 5.563 9.806 7.367 246 HD12 LEU 29 HD12 LEU 29 4.156 10.868 7.354 247 HD13 LEU 29 HD13 LEU 29 4.055 9.280 8.114 248 HD21 LEU 29 HD21 LEU 29 3.797 9.746 10.586 249 HD22 LEU 29 HD22 LEU 29 5.375 10.116 11.282 250 HD23 LEU 29 HD23 LEU 29 5.205 8.787 10.132 251 H PHE 30 H PHE 30 8.049 13.766 8.330 252 HA PHE 30 HA PHE 30 10.778 13.615 9.380 253 HB2 PHE 30 HB2 PHE 30 10.079 13.150 6.473 254 HB3 PHE 30 HB3 PHE 30 11.704 13.216 7.148 255 HD1 PHE 30 HD2 PHE 30 8.599 11.258 6.981 256 HD2 PHE 30 HD1 PHE 30 12.646 11.354 8.296 257 HE1 PHE 30 HE2 PHE 30 8.515 8.836 7.409 258 HE2 PHE 30 HE1 PHE 30 12.568 8.933 8.725 259 HZ PHE 30 HZ PHE 30 10.500 7.671 8.283 260 H ILE 31 H ILE 31 12.217 15.257 8.350 261 HA ILE 31 HA ILE 31 10.831 17.535 7.172 262 HB ILE 31 HB ILE 31 12.541 17.901 9.629 263 HG12 ILE 31 HG12 ILE 31 9.527 17.892 9.369 264 HG13 ILE 31 HG13 ILE 31 10.501 16.739 10.272 265 HG21 ILE 31 HG21 ILE 31 10.717 19.807 8.168 266 HG22 ILE 31 HG22 ILE 31 11.697 20.177 9.587 267 HG23 ILE 31 HG23 ILE 31 12.477 19.784 8.055 268 HD11 ILE 31 HD11 ILE 31 9.448 18.337 11.753 269 HD12 ILE 31 HD12 ILE 31 11.202 18.528 11.782 270 HD13 ILE 31 HD13 ILE 31 10.205 19.670 10.881 271 H ILE 32 H ILE 32 12.139 18.864 5.948 272 HA ILE 32 HA ILE 32 15.014 18.333 5.912 273 HB ILE 32 HB ILE 32 13.165 17.991 3.569 274 HG12 ILE 32 HG12 ILE 32 15.539 16.278 4.072 275 HG13 ILE 32 HG13 ILE 32 14.215 16.153 5.225 276 HG21 ILE 32 HG21 ILE 32 16.096 18.666 3.528 277 HG22 ILE 32 HG22 ILE 32 15.265 17.903 2.173 278 HG23 ILE 32 HG23 ILE 32 14.773 19.505 2.718 279 HD11 ILE 32 HD11 ILE 32 12.817 15.191 3.721 280 HD12 ILE 32 HD12 ILE 32 13.545 16.019 2.344 281 HD13 ILE 32 HD13 ILE 32 14.360 14.634 3.071 282 H GLU 33 H GLU 33 16.256 20.074 5.375 283 HA GLU 33 HA GLU 33 14.809 22.593 4.921 284 HB2 GLU 33 HB2 GLU 33 16.037 22.750 6.932 285 HB3 GLU 33 HB3 GLU 33 17.448 21.974 6.227 286 HG2 GLU 33 HG2 GLU 33 16.754 24.391 4.808 287 HG3 GLU 33 HG3 GLU 33 17.011 24.694 6.526 288 H GLN 34 H GLN 34 14.862 23.345 2.918 289 HA GLN 34 HA GLN 34 16.273 22.355 0.790 290 HB2 GLN 34 HB2 GLN 34 15.186 25.115 1.301 291 HB3 GLN 34 HB3 GLN 34 15.940 24.684 -0.228 292 HG2 GLN 34 HG2 GLN 34 13.839 24.178 -0.818 293 HG3 GLN 34 HG3 GLN 34 14.189 22.661 0.008 294 HE21 GLN 34 HE21 GLN 34 13.129 22.165 1.860 295 HE22 GLN 34 HE22 GLN 34 11.882 23.140 2.550 296 H ASP 35 H ASP 35 17.993 23.414 -0.512 297 HA ASP 35 HA ASP 35 19.839 25.193 0.716 298 HB2 ASP 35 HB2 ASP 35 21.613 23.781 1.294 299 HB3 ASP 35 HB3 ASP 35 20.200 22.926 1.905 300 H GLN 36 H GLN 36 18.408 24.756 -1.802 301 HA GLN 36 HA GLN 36 20.069 23.852 -3.856 302 HB2 GLN 36 HB2 GLN 36 18.041 26.084 -4.038 303 HB3 GLN 36 HB3 GLN 36 18.638 25.095 -5.364 304 HG2 GLN 36 HG2 GLN 36 17.599 23.126 -4.380 305 HG3 GLN 36 HG3 GLN 36 17.020 24.099 -3.029 306 HE21 GLN 36 HE21 GLN 36 14.870 23.822 -3.370 307 HE22 GLN 36 HE22 GLN 36 14.030 24.420 -4.756 308 H ALA 37 H ALA 37 20.403 25.824 -5.698 309 HA ALA 37 HA ALA 37 22.854 26.940 -5.060 310 HB1 ALA 37 HB1 ALA 37 22.807 27.363 -7.234 311 HB2 ALA 37 HB2 ALA 37 21.088 26.969 -7.277 312 HB3 ALA 37 HB3 ALA 37 21.605 28.627 -6.972 313 H SER 38 H SER 38 19.681 28.049 -4.280 314 HA SER 38 HA SER 38 20.094 30.783 -3.954 315 HB2 SER 38 HB2 SER 38 18.354 30.222 -1.929 316 HB3 SER 38 HB3 SER 38 17.885 30.398 -3.620 317 HG SER 38 HG SER 38 17.749 28.248 -3.827 318 H LYS 39 H LYS 39 21.312 28.138 -2.142 319 HA LYS 39 HA LYS 39 21.877 29.687 0.236 320 HB2 LYS 39 HB2 LYS 39 22.201 26.857 -0.608 321 HB3 LYS 39 HB3 LYS 39 23.314 27.455 0.615 322 HG2 LYS 39 HG2 LYS 39 21.271 26.339 1.507 323 HG3 LYS 39 HG3 LYS 39 21.534 27.981 2.098 324 HD2 LYS 39 HD2 LYS 39 19.968 28.742 0.253 325 HD3 LYS 39 HD3 LYS 39 19.557 27.040 0.032 326 HE2 LYS 39 HE2 LYS 39 19.030 28.832 2.371 327 HE3 LYS 39 HE3 LYS 39 17.909 27.801 1.482 328 HZ1 LYS 39 HZ1 LYS 39 19.188 25.873 2.407 329 HZ2 LYS 39 HZ2 LYS 39 18.306 26.760 3.545 330 HZ3 LYS 39 HZ3 LYS 39 19.981 26.963 3.428 331 H ASP 40 H ASP 40 23.661 28.356 -2.509 332 HA ASP 40 HA ASP 40 26.252 28.966 -1.693 333 HB2 ASP 40 HB2 ASP 40 24.910 28.490 -4.295 334 HB3 ASP 40 HB3 ASP 40 26.467 29.312 -4.358 335 H PHE 41 H PHE 41 23.702 31.046 -2.665 336 HA PHE 41 HA PHE 41 25.528 33.278 -3.156 337 HB2 PHE 41 HB2 PHE 41 23.708 32.982 -4.760 338 HB3 PHE 41 HB3 PHE 41 22.524 33.084 -3.460 339 HD1 PHE 41 HD2 PHE 41 25.503 35.125 -4.408 340 HD2 PHE 41 HD1 PHE 41 21.327 35.029 -3.591 341 HE1 PHE 41 HE2 PHE 41 25.393 37.565 -4.704 342 HE2 PHE 41 HE1 PHE 41 21.210 37.469 -3.886 343 HZ PHE 41 HZ PHE 41 23.245 38.740 -4.442 344 H ASN 42 H ASN 42 22.332 33.464 -1.687 345 HA ASN 42 HA ASN 42 23.115 33.834 0.976 346 HB2 ASN 42 HB2 ASN 42 24.180 35.875 -0.177 347 HB3 ASN 42 HB3 ASN 42 22.535 36.481 -0.337 348 HD21 ASN 42 HD21 ASN 42 21.353 35.845 1.965 349 H ARG 43 H ARG 43 20.937 35.797 -1.044 350 HA ARG 43 HA ARG 43 18.657 35.867 -1.189 351 HB2 ARG 43 HB2 ARG 43 19.170 33.190 -0.515 352 HB3 ARG 43 HB3 ARG 43 17.921 33.724 0.602 353 HG2 ARG 43 HG2 ARG 43 16.976 32.715 -1.409 354 HG3 ARG 43 HG3 ARG 43 16.520 34.413 -1.255 355 HD2 ARG 43 HD2 ARG 43 17.458 34.907 -3.210 356 HD3 ARG 43 HD3 ARG 43 18.978 34.153 -2.729 357 HE ARG 43 HE ARG 43 17.102 32.168 -3.432 358 HH11 ARG 43 HH11 ARG 43 19.109 34.633 -4.850 359 HH12 ARG 43 HH12 ARG 43 19.263 33.817 -6.371 360 HH21 ARG 43 HH21 ARG 43 17.297 31.083 -5.429 361 HH22 ARG 43 HH22 ARG 43 18.231 31.798 -6.699 362 H SER 44 H SER 44 19.536 34.722 2.076 363 HA SER 44 HA SER 44 19.052 35.520 4.151 364 HB2 SER 44 HB2 SER 44 19.589 37.706 4.478 365 HB3 SER 44 HB3 SER 44 20.062 37.630 2.781 366 HG SER 44 HG SER 44 18.376 39.280 3.751 367 H LYS 45 H LYS 45 17.338 37.229 5.247 368 HA LYS 45 HA LYS 45 14.762 36.102 4.524 369 HB2 LYS 45 HB2 LYS 45 15.675 37.817 6.834 370 HB3 LYS 45 HB3 LYS 45 14.002 37.328 6.602 371 HG2 LYS 45 HG2 LYS 45 14.537 35.584 7.884 372 HG3 LYS 45 HG3 LYS 45 15.308 34.940 6.432 373 HD2 LYS 45 HD2 LYS 45 16.935 36.808 8.035 374 HD3 LYS 45 HD3 LYS 45 16.576 35.255 8.792 375 HE2 LYS 45 HE2 LYS 45 17.276 34.424 6.332 376 HE3 LYS 45 HE3 LYS 45 18.253 35.887 6.444 377 HZ1 LYS 45 HZ1 LYS 45 19.677 34.454 7.421 378 HZ2 LYS 45 HZ2 LYS 45 18.463 33.394 7.935 379 HZ3 LYS 45 HZ3 LYS 45 18.769 34.815 8.803 380 H ALA 46 H ALA 46 16.309 39.275 4.726 381 HA ALA 46 HA ALA 46 13.961 40.459 3.407 382 HB1 ALA 46 HB1 ALA 46 16.083 42.220 4.470 383 HB2 ALA 46 HB2 ALA 46 14.328 42.398 4.514 384 HB3 ALA 46 HB3 ALA 46 15.134 41.320 5.655 385 H LEU 47 H LEU 47 15.051 42.702 2.311 386 HA LEU 47 HA LEU 47 16.108 43.502 0.463 387 HB2 LEU 47 HB2 LEU 47 18.124 41.302 0.656 388 HB3 LEU 47 HB3 LEU 47 18.340 42.965 0.115 389 HG LEU 47 HG LEU 47 17.953 42.059 2.968 390 HD11 LEU 47 HD11 LEU 47 20.234 41.989 1.397 391 HD12 LEU 47 HD12 LEU 47 20.166 41.949 3.158 392 HD13 LEU 47 HD13 LEU 47 20.389 43.484 2.320 393 HD21 LEU 47 HD21 LEU 47 16.969 44.199 2.781 394 HD22 LEU 47 HD22 LEU 47 18.259 44.785 1.732 395 HD23 LEU 47 HD23 LEU 47 18.585 44.462 3.436 396 H PHE 48 H PHE 48 14.556 43.023 -1.047 397 HA PHE 48 HA PHE 48 15.214 40.870 -2.880 398 HB2 PHE 48 HB2 PHE 48 12.910 40.793 -1.075 399 HB3 PHE 48 HB3 PHE 48 12.472 40.591 -2.769 400 HD1 PHE 48 HD1 PHE 48 14.482 39.212 -0.008 401 HD2 PHE 48 HD2 PHE 48 12.986 38.600 -3.946 402 HE1 PHE 48 HE1 PHE 48 15.162 36.850 0.104 403 HE2 PHE 48 HE2 PHE 48 13.663 36.237 -3.840 404 HZ PHE 48 HZ PHE 48 14.752 35.358 -1.812 405 H SER 49 H SER 49 15.779 42.729 -4.159 406 HA SER 49 HA SER 49 13.561 44.409 -5.053 407 HB2 SER 49 HB2 SER 49 16.250 44.937 -4.583 408 HB3 SER 49 HB3 SER 49 16.129 44.900 -6.343 409 HG SER 49 HG SER 49 14.885 46.630 -6.312 410 H GLN 50 H GLN 50 12.826 44.482 -7.149 411 HA GLN 50 HA GLN 50 12.798 42.133 -8.635 412 HB2 GLN 50 HB2 GLN 50 11.065 43.773 -8.929 413 HB3 GLN 50 HB3 GLN 50 12.227 44.978 -9.469 414 HG2 GLN 50 HG2 GLN 50 12.398 44.085 -11.557 415 HG3 GLN 50 HG3 GLN 50 12.018 42.453 -11.011 416 HE21 GLN 50 HE21 GLN 50 10.889 45.045 -12.696 417 HE22 GLN 50 HE22 GLN 50 9.195 44.710 -12.638 418 H SER 51 H SER 51 15.079 44.739 -8.618 419 HA SER 51 HA SER 51 16.248 44.340 -11.150 420 HB2 SER 51 HB2 SER 51 16.582 46.184 -9.199 421 HB3 SER 51 HB3 SER 51 18.027 45.205 -8.944 422 HG SER 51 HG SER 51 18.311 46.936 -10.466 423 H ALA 52 H ALA 52 16.526 42.626 -8.155 424 HA ALA 52 HA ALA 52 18.974 41.271 -8.855 425 HB1 ALA 52 HB1 ALA 52 18.527 41.690 -6.528 426 HB2 ALA 52 HB2 ALA 52 17.004 40.802 -6.622 427 HB3 ALA 52 HB3 ALA 52 18.536 39.948 -6.810 428 H ILE 53 H ILE 53 15.614 40.183 -8.328 429 HA ILE 53 HA ILE 53 16.072 38.101 -10.358 430 HB ILE 53 HB ILE 53 14.417 36.703 -8.960 431 HG12 ILE 53 HG12 ILE 53 15.528 38.034 -6.559 432 HG13 ILE 53 HG13 ILE 53 14.261 38.911 -7.408 433 HG21 ILE 53 HG21 ILE 53 16.955 36.879 -7.466 434 HG22 ILE 53 HG22 ILE 53 16.181 35.494 -8.235 435 HG23 ILE 53 HG23 ILE 53 17.091 36.648 -9.210 436 HD11 ILE 53 HD11 ILE 53 14.127 36.392 -5.872 437 HD12 ILE 53 HD12 ILE 53 12.970 37.718 -5.992 438 HD13 ILE 53 HD13 ILE 53 13.089 36.531 -7.290 439 H SER 54 H SER 54 13.985 37.182 -11.196 440 HA SER 54 HA SER 54 12.134 39.390 -11.696 441 HB2 SER 54 HB2 SER 54 13.188 37.235 -13.278 442 HB3 SER 54 HB3 SER 54 11.427 37.137 -13.257 443 HG SER 54 HG SER 54 13.095 39.115 -14.296 444 H GLN 55 H GLN 55 10.897 39.364 -9.818 445 HA GLN 55 HA GLN 55 9.795 37.185 -8.531 446 HB2 GLN 55 HB2 GLN 55 9.714 39.480 -7.654 447 HB3 GLN 55 HB3 GLN 55 8.549 39.915 -8.896 448 HG2 GLN 55 HG2 GLN 55 6.871 38.572 -7.945 449 HG3 GLN 55 HG3 GLN 55 8.022 37.737 -6.904 450 HE21 GLN 55 HE21 GLN 55 6.200 40.651 -7.412 451 HE22 GLN 55 HE22 GLN 55 6.424 41.308 -5.830 452 H LYS 56 H LYS 56 8.814 38.716 -11.501 453 HA LYS 56 HA LYS 56 6.199 37.803 -11.739 454 HB2 LYS 56 HB2 LYS 56 6.624 37.917 -14.223 455 HB3 LYS 56 HB3 LYS 56 7.009 39.381 -13.327 456 HG2 LYS 56 HG2 LYS 56 9.314 39.029 -13.515 457 HG3 LYS 56 HG3 LYS 56 9.104 37.338 -13.976 458 HD2 LYS 56 HD2 LYS 56 9.669 38.488 -15.963 459 HD3 LYS 56 HD3 LYS 56 7.931 38.189 -16.053 460 HE2 LYS 56 HE2 LYS 56 7.593 40.364 -16.333 461 HE3 LYS 56 HE3 LYS 56 8.281 40.662 -14.737 462 HZ1 LYS 56 HZ1 LYS 56 9.607 41.926 -16.112 463 HZ2 LYS 56 HZ2 LYS 56 9.591 40.797 -17.371 464 HZ3 LYS 56 HZ3 LYS 56 10.514 40.502 -15.985 465 H GLU 57 H GLU 57 9.197 36.086 -12.010 466 HA GLU 57 HA GLU 57 7.690 33.630 -12.593 467 HB2 GLU 57 HB2 GLU 57 10.429 34.290 -13.688 468 HB3 GLU 57 HB3 GLU 57 9.520 32.813 -13.978 469 HG2 GLU 57 HG2 GLU 57 7.744 34.676 -14.812 470 HG3 GLU 57 HG3 GLU 57 9.271 35.459 -15.215 471 H TYR 58 H TYR 58 8.896 35.005 -10.153 472 HA TYR 58 HA TYR 58 10.123 32.591 -9.068 473 HB2 TYR 58 HB2 TYR 58 11.551 35.082 -9.590 474 HB3 TYR 58 HB3 TYR 58 11.659 34.581 -7.907 475 HD1 TYR 58 HD1 TYR 58 12.414 32.159 -7.455 476 HD2 TYR 58 HD2 TYR 58 12.943 34.119 -11.194 477 HE1 TYR 58 HE1 TYR 58 14.171 30.543 -8.046 478 HE2 TYR 58 HE2 TYR 58 14.702 32.508 -11.796 479 HH TYR 58 HH TYR 58 15.132 29.773 -10.737 480 H ASP 59 H ASP 59 10.552 32.987 -6.609 481 HA ASP 59 HA ASP 59 8.680 34.816 -5.369 482 HB2 ASP 59 HB2 ASP 59 7.923 32.122 -5.903 483 HB3 ASP 59 HB3 ASP 59 8.145 32.287 -4.162 484 H SER 60 H SER 60 8.811 34.701 -2.964 485 HA SER 60 HA SER 60 11.585 34.424 -2.188 486 HB2 SER 60 HB2 SER 60 9.357 36.001 -1.341 487 HB3 SER 60 HB3 SER 60 9.958 35.097 0.049 488 HG SER 60 HG SER 60 11.582 36.411 0.102 489 H SER 61 H SER 61 8.598 32.714 -1.771 490 HA SER 61 HA SER 61 9.201 31.235 0.536 491 HB2 SER 61 HB2 SER 61 7.302 30.954 -1.735 492 HB3 SER 61 HB3 SER 61 7.619 29.508 -0.777 493 HG SER 61 HG SER 61 6.410 31.920 -0.029 494 H LEU 62 H LEU 62 10.191 30.869 -2.784 495 HA LEU 62 HA LEU 62 11.456 28.293 -2.176 496 HB2 LEU 62 HB2 LEU 62 11.536 27.863 -4.462 497 HB3 LEU 62 HB3 LEU 62 9.980 28.654 -4.223 498 HG LEU 62 HG LEU 62 11.801 30.698 -4.853 499 HD11 LEU 62 HD11 LEU 62 13.421 29.269 -5.756 500 HD12 LEU 62 HD12 LEU 62 12.494 29.828 -7.148 501 HD13 LEU 62 HD13 LEU 62 12.211 28.216 -6.489 502 HD21 LEU 62 HD21 LEU 62 10.370 31.053 -6.712 503 HD22 LEU 62 HD22 LEU 62 9.359 30.443 -5.402 504 HD23 LEU 62 HD23 LEU 62 9.845 29.369 -6.715 505 H ALA 63 H ALA 63 12.222 31.418 -1.890 506 HA ALA 63 HA ALA 63 15.041 30.973 -2.631 507 HB1 ALA 63 HB1 ALA 63 13.754 32.735 -3.946 508 HB2 ALA 63 HB2 ALA 63 13.772 33.689 -2.463 509 HB3 ALA 63 HB3 ALA 63 15.290 33.227 -3.232 510 H THR 64 H THR 64 14.942 29.988 -0.381 511 HA THR 64 HA THR 64 16.281 31.636 1.433 512 HB THR 64 HB THR 64 14.127 31.225 3.134 513 HG1 THR 64 HG1 THR 64 12.468 32.436 1.868 514 HG21 THR 64 HG21 THR 64 14.297 33.873 1.840 515 HG22 THR 64 HG22 THR 64 15.802 33.249 2.517 516 HG23 THR 64 HG23 THR 64 14.382 33.437 3.546 517 H LEU 65 H LEU 65 15.815 30.541 3.847 518 HA LEU 65 HA LEU 65 16.660 27.792 3.437 519 HB2 LEU 65 HB2 LEU 65 17.492 27.841 5.607 520 HB3 LEU 65 HB3 LEU 65 17.765 29.476 5.007 521 HG LEU 65 HG LEU 65 15.354 28.814 6.667 522 HD11 LEU 65 HD11 LEU 65 17.563 28.121 7.766 523 HD12 LEU 65 HD12 LEU 65 16.495 29.200 8.664 524 HD13 LEU 65 HD13 LEU 65 17.913 29.848 7.838 525 HD21 LEU 65 HD21 LEU 65 16.880 31.304 5.958 526 HD22 LEU 65 HD22 LEU 65 15.731 31.250 7.295 527 HD23 LEU 65 HD23 LEU 65 15.185 30.926 5.647 528 H ASP 66 H ASP 66 13.814 28.759 3.125 529 HA ASP 66 HA ASP 66 12.104 27.999 5.111 530 HB2 ASP 66 HB2 ASP 66 11.957 27.949 2.143 531 HB3 ASP 66 HB3 ASP 66 10.720 27.049 3.018 532 H HIS 67 H HIS 67 11.540 26.169 6.115 533 HA HIS 67 HA HIS 67 12.916 23.716 5.378 534 HB2 HIS 67 HB2 HIS 67 11.290 24.544 7.778 535 HB3 HIS 67 HB3 HIS 67 11.817 22.882 7.535 536 HD1 HIS 67 HD1 HIS 67 12.976 23.747 9.960 537 HD2 HIS 67 HD2 HIS 67 14.668 24.971 6.368 538 HE1 HIS 67 HE1 HIS 67 15.329 24.432 10.525 539 H THR 68 H THR 68 11.803 21.680 5.200 540 HA THR 68 HA THR 68 9.064 21.982 4.152 541 HB THR 68 HB THR 68 11.070 21.237 2.613 542 HG1 THR 68 HG1 THR 68 8.988 21.278 1.820 543 HG21 THR 68 HG21 THR 68 11.430 18.873 2.519 544 HG22 THR 68 HG22 THR 68 10.199 18.581 3.747 545 HG23 THR 68 HG23 THR 68 11.708 19.384 4.183 546 H GLU 69 H GLU 69 7.489 20.838 5.088 547 HA GLU 69 HA GLU 69 8.232 18.931 7.182 548 HB2 GLU 69 HB2 GLU 69 5.483 20.040 6.630 549 HB3 GLU 69 HB3 GLU 69 6.055 19.261 8.097 550 HG2 GLU 69 HG2 GLU 69 6.618 21.221 8.937 551 HG3 GLU 69 HG3 GLU 69 7.721 21.497 7.589 552 H ILE 70 H ILE 70 8.418 16.909 6.463 553 HA ILE 70 HA ILE 70 6.910 15.928 4.219 554 HB ILE 70 HB ILE 70 8.794 14.537 6.123 555 HG12 ILE 70 HG12 ILE 70 10.030 14.417 3.774 556 HG13 ILE 70 HG13 ILE 70 9.042 15.837 3.448 557 HG21 ILE 70 HG21 ILE 70 7.828 12.643 5.441 558 HG22 ILE 70 HG22 ILE 70 6.937 13.458 4.157 559 HG23 ILE 70 HG23 ILE 70 8.605 12.953 3.889 560 HD11 ILE 70 HD11 ILE 70 10.005 16.979 5.344 561 HD12 ILE 70 HD12 ILE 70 10.934 15.541 5.767 562 HD13 ILE 70 HD13 ILE 70 11.279 16.404 4.268 563 H LYS 71 H LYS 71 4.748 15.934 4.758 564 HA LYS 71 HA LYS 71 3.900 14.433 7.121 565 HB2 LYS 71 HB2 LYS 71 1.665 15.347 6.647 566 HB3 LYS 71 HB3 LYS 71 2.872 16.619 6.794 567 HG2 LYS 71 HG2 LYS 71 2.928 16.154 4.122 568 HG3 LYS 71 HG3 LYS 71 1.235 15.825 4.498 569 HD2 LYS 71 HD2 LYS 71 0.826 18.007 4.600 570 HD3 LYS 71 HD3 LYS 71 2.015 18.178 5.892 571 HE2 LYS 71 HE2 LYS 71 3.784 18.468 4.260 572 HE3 LYS 71 HE3 LYS 71 2.644 18.204 2.942 573 HZ1 LYS 71 HZ1 LYS 71 1.729 20.255 3.196 574 HZ2 LYS 71 HZ2 LYS 71 3.298 20.606 3.720 575 HZ3 LYS 71 HZ3 LYS 71 2.068 20.347 4.851 576 H ALA 72 H ALA 72 2.613 12.615 7.025 577 HA ALA 72 HA ALA 72 2.960 10.891 4.830 578 HB1 ALA 72 HB1 ALA 72 1.624 10.796 7.426 579 HB2 ALA 72 HB2 ALA 72 0.845 9.810 6.187 580 HB3 ALA 72 HB3 ALA 72 2.546 9.555 6.576 581 HA PRO 73 HA PRO 73 -0.275 12.054 2.083 582 HB2 PRO 73 HB2 PRO 73 -0.635 9.692 0.795 583 HB3 PRO 73 HB3 PRO 73 0.772 10.729 0.525 584 HG2 PRO 73 HG2 PRO 73 0.518 8.288 2.239 585 HG3 PRO 73 HG3 PRO 73 1.835 8.757 1.149 586 HD2 PRO 73 HD2 PRO 73 1.972 9.105 3.831 587 HD3 PRO 73 HD3 PRO 73 2.759 10.208 2.683 588 H PHE 74 H PHE 74 -0.658 9.203 4.113 589 HA PHE 74 HA PHE 74 -3.330 9.897 4.793 590 HB2 PHE 74 HB2 PHE 74 -4.296 7.687 3.907 591 HB3 PHE 74 HB3 PHE 74 -4.040 8.984 2.744 592 HD1 PHE 74 HD2 PHE 74 -2.702 5.788 4.004 593 HD2 PHE 74 HD1 PHE 74 -2.541 8.734 0.936 594 HE1 PHE 74 HE2 PHE 74 -1.332 4.276 2.629 595 HE2 PHE 74 HE1 PHE 74 -1.171 7.227 -0.444 596 HZ PHE 74 HZ PHE 74 -0.563 4.995 0.403 597 H ASP 75 H ASP 75 -4.101 8.734 6.558 598 HA ASP 75 HA ASP 75 -2.269 7.736 8.361 599 HB2 ASP 75 HB2 ASP 75 -4.162 6.889 9.636 600 HB3 ASP 75 HB3 ASP 75 -4.557 8.462 8.951 601 H GLY 76 H GLY 76 -1.811 5.619 9.141 602 HA2 GLY 76 HA2 GLY 76 -2.672 3.195 8.257 603 HA3 GLY 76 HA3 GLY 76 -1.530 3.692 7.018 604 H THR 77 H THR 77 0.055 2.213 7.396 605 HA THR 77 HA THR 77 1.284 2.249 10.075 606 HB THR 77 HB THR 77 1.294 0.036 8.016 607 HG1 THR 77 HG1 THR 77 -0.602 0.428 9.474 608 HG21 THR 77 HG21 THR 77 2.329 -1.116 10.200 609 HG22 THR 77 HG22 THR 77 2.942 0.522 10.430 610 HG23 THR 77 HG23 THR 77 3.327 -0.365 8.956 611 H ILE 78 H ILE 78 3.404 2.740 10.268 612 HA ILE 78 HA ILE 78 4.857 3.361 7.782 613 HB ILE 78 HB ILE 78 4.445 5.330 9.173 614 HG12 ILE 78 HG12 ILE 78 7.317 5.029 9.690 615 HG13 ILE 78 HG13 ILE 78 6.842 4.563 8.060 616 HG21 ILE 78 HG21 ILE 78 5.642 5.483 11.382 617 HG22 ILE 78 HG22 ILE 78 4.244 4.409 11.348 618 HG23 ILE 78 HG23 ILE 78 5.874 3.738 11.288 619 HD11 ILE 78 HD11 ILE 78 6.313 6.678 7.464 620 HD12 ILE 78 HD12 ILE 78 5.789 7.126 9.088 621 HD13 ILE 78 HD13 ILE 78 7.508 7.046 8.707 622 H GLY 79 H GLY 79 6.950 2.655 7.504 623 HA2 GLY 79 HA2 GLY 79 7.717 0.383 9.146 624 HA3 GLY 79 HA3 GLY 79 8.470 0.885 7.640 625 H ASP 80 H ASP 80 10.539 0.626 8.570 626 HA ASP 80 HA ASP 80 11.236 2.443 10.755 627 HB2 ASP 80 HB2 ASP 80 13.484 1.208 10.565 628 HB3 ASP 80 HB3 ASP 80 12.103 0.299 11.173 629 H ALA 81 H ALA 81 12.907 3.963 10.586 630 HA ALA 81 HA ALA 81 13.029 5.409 8.195 631 HB1 ALA 81 HB1 ALA 81 13.597 6.809 9.861 632 HB2 ALA 81 HB2 ALA 81 14.349 5.533 10.819 633 HB3 ALA 81 HB3 ALA 81 15.237 6.278 9.490 634 H LEU 82 H LEU 82 14.794 5.788 6.759 635 HA LEU 82 HA LEU 82 16.538 3.437 6.449 636 HB2 LEU 82 HB2 LEU 82 15.157 5.230 4.523 637 HB3 LEU 82 HB3 LEU 82 16.711 4.546 4.049 638 HG LEU 82 HG LEU 82 15.877 2.352 4.069 639 HD11 LEU 82 HD11 LEU 82 13.462 1.956 4.849 640 HD12 LEU 82 HD12 LEU 82 13.636 3.490 5.701 641 HD13 LEU 82 HD13 LEU 82 14.716 2.146 6.075 642 HD21 LEU 82 HD21 LEU 82 14.118 4.388 2.828 643 HD22 LEU 82 HD22 LEU 82 13.533 2.725 2.862 644 HD23 LEU 82 HD23 LEU 82 15.070 3.105 2.083 645 H VAL 83 H VAL 83 16.438 6.965 6.303 646 HA VAL 83 HA VAL 83 19.381 7.007 6.293 647 HB VAL 83 HB VAL 83 19.106 9.434 5.670 648 HG11 VAL 83 HG11 VAL 83 17.758 7.987 3.496 649 HG12 VAL 83 HG12 VAL 83 19.284 8.874 3.498 650 HG13 VAL 83 HG13 VAL 83 19.221 7.222 4.113 651 HG21 VAL 83 HG21 VAL 83 16.482 9.142 4.531 652 HG22 VAL 83 HG22 VAL 83 16.423 8.913 6.278 653 HG23 VAL 83 HG23 VAL 83 17.101 10.396 5.606 654 H ASN 84 H ASN 84 20.074 9.296 7.348 655 HA ASN 84 HA ASN 84 18.865 9.320 10.036 656 HB2 ASN 84 HB2 ASN 84 21.740 9.934 9.319 657 HB3 ASN 84 HB3 ASN 84 21.055 9.868 10.941 658 HD21 ASN 84 HD21 ASN 84 22.229 8.061 8.252 659 HD22 ASN 84 HD22 ASN 84 22.200 6.508 9.009 660 H ILE 85 H ILE 85 19.807 11.490 11.175 661 HA ILE 85 HA ILE 85 18.596 13.635 9.642 662 HB ILE 85 HB ILE 85 19.657 13.578 12.469 663 HG12 ILE 85 HG12 ILE 85 16.845 13.545 11.350 664 HG13 ILE 85 HG13 ILE 85 17.659 12.216 12.171 665 HG21 ILE 85 HG21 ILE 85 18.504 15.746 12.727 666 HG22 ILE 85 HG22 ILE 85 19.841 15.817 11.580 667 HG23 ILE 85 HG23 ILE 85 18.180 15.754 10.994 668 HD11 ILE 85 HD11 ILE 85 16.091 13.288 13.655 669 HD12 ILE 85 HD12 ILE 85 17.739 13.564 14.220 670 HD13 ILE 85 HD13 ILE 85 16.865 14.850 13.389 671 H GLY 86 H GLY 86 19.601 15.592 9.116 672 HA2 GLY 86 HA2 GLY 86 21.347 17.042 8.672 673 HA3 GLY 86 HA3 GLY 86 22.379 16.050 9.691 674 H ASP 87 H ASP 87 20.710 14.328 7.273 675 HA ASP 87 HA ASP 87 23.200 14.111 5.727 676 HB2 ASP 87 HB2 ASP 87 21.418 12.166 6.737 677 HB3 ASP 87 HB3 ASP 87 21.230 12.151 4.986 678 H TYR 88 H TYR 88 23.284 14.644 3.617 679 HA TYR 88 HA TYR 88 21.341 16.331 2.502 680 HB2 TYR 88 HB2 TYR 88 23.662 16.439 1.796 681 HB3 TYR 88 HB3 TYR 88 23.580 14.798 1.163 682 HD1 TYR 88 HD1 TYR 88 22.556 18.284 0.621 683 HD2 TYR 88 HD2 TYR 88 22.544 14.336 -0.963 684 HE1 TYR 88 HE1 TYR 88 21.871 19.171 -1.568 685 HE2 TYR 88 HE2 TYR 88 21.859 15.211 -3.157 686 HH TYR 88 HH TYR 88 20.907 17.081 -4.177 687 H VAL 89 H VAL 89 19.402 15.828 1.755 688 HA VAL 89 HA VAL 89 18.863 13.099 0.846 689 HB VAL 89 HB VAL 89 16.455 13.901 0.841 690 HG11 VAL 89 HG11 VAL 89 17.924 14.011 3.473 691 HG12 VAL 89 HG12 VAL 89 16.215 13.642 3.239 692 HG13 VAL 89 HG13 VAL 89 17.447 12.535 2.635 693 HG21 VAL 89 HG21 VAL 89 16.971 16.031 2.734 694 HG22 VAL 89 HG22 VAL 89 17.645 16.391 1.144 695 HG23 VAL 89 HG23 VAL 89 15.930 16.016 1.311 696 H SER 90 H SER 90 17.898 12.645 -1.150 697 HA SER 90 HA SER 90 18.384 14.696 -3.194 698 HB2 SER 90 HB2 SER 90 18.697 11.786 -3.094 699 HB3 SER 90 HB3 SER 90 17.877 12.347 -4.552 700 HG SER 90 HG SER 90 20.477 12.872 -3.649 701 H ALA 91 H ALA 91 16.397 15.801 -2.742 702 HA ALA 91 HA ALA 91 14.149 16.222 -2.901 703 HB1 ALA 91 HB1 ALA 91 15.155 15.958 -5.319 704 HB2 ALA 91 HB2 ALA 91 14.067 14.571 -5.375 705 HB3 ALA 91 HB3 ALA 91 13.424 16.185 -5.070 706 H SER 92 H SER 92 12.192 14.585 -4.299 707 HA SER 92 HA SER 92 11.235 13.064 -2.145 708 HB2 SER 92 HB2 SER 92 9.490 12.318 -3.645 709 HB3 SER 92 HB3 SER 92 9.828 14.016 -3.982 710 HG SER 92 HG SER 92 10.206 13.412 -5.947 711 H THR 93 H THR 93 13.530 12.327 -4.564 712 HA THR 93 HA THR 93 13.192 9.504 -4.652 713 HB THR 93 HB THR 93 15.675 11.119 -5.268 714 HG1 THR 93 HG1 THR 93 14.289 11.815 -6.762 715 HG21 THR 93 HG21 THR 93 16.430 8.931 -5.154 716 HG22 THR 93 HG22 THR 93 15.971 9.067 -6.852 717 HG23 THR 93 HG23 THR 93 14.895 8.264 -5.709 718 H THR 94 H THR 94 14.213 11.498 -2.197 719 HA THR 94 HA THR 94 16.251 9.761 -1.104 720 HB THR 94 HB THR 94 16.185 12.298 -0.817 721 HG1 THR 94 HG1 THR 94 17.362 10.610 0.522 722 HG21 THR 94 HG21 THR 94 13.663 11.834 0.154 723 HG22 THR 94 HG22 THR 94 14.600 13.304 0.419 724 HG23 THR 94 HG23 THR 94 14.604 12.025 1.632 725 H GLU 95 H GLU 95 13.892 8.357 -1.513 726 HA GLU 95 HA GLU 95 12.005 8.146 0.417 727 HB2 GLU 95 HB2 GLU 95 12.150 5.617 0.044 728 HB3 GLU 95 HB3 GLU 95 11.856 6.625 -1.366 729 HG2 GLU 95 HG2 GLU 95 14.680 6.060 -0.789 730 HG3 GLU 95 HG3 GLU 95 13.703 4.668 -1.254 731 H LEU 96 H LEU 96 12.235 8.299 2.548 732 HA LEU 96 HA LEU 96 14.531 7.014 3.842 733 HB2 LEU 96 HB2 LEU 96 13.591 8.357 5.852 734 HB3 LEU 96 HB3 LEU 96 14.489 9.186 4.582 735 HG LEU 96 HG LEU 96 12.386 10.318 5.476 736 HD11 LEU 96 HD11 LEU 96 12.001 10.043 2.576 737 HD12 LEU 96 HD12 LEU 96 13.641 10.447 3.084 738 HD13 LEU 96 HD13 LEU 96 12.292 11.481 3.556 739 HD21 LEU 96 HD21 LEU 96 10.943 8.467 3.611 740 HD22 LEU 96 HD22 LEU 96 10.280 9.574 4.813 741 HD23 LEU 96 HD23 LEU 96 11.098 8.098 5.329 742 H VAL 97 H VAL 97 11.184 6.653 3.347 743 HA VAL 97 HA VAL 97 11.080 4.195 4.745 744 HB VAL 97 HB VAL 97 10.927 6.011 6.603 745 HG11 VAL 97 HG11 VAL 97 9.198 7.324 5.367 746 HG12 VAL 97 HG12 VAL 97 8.059 6.012 5.679 747 HG13 VAL 97 HG13 VAL 97 8.757 6.915 7.025 748 HG21 VAL 97 HG21 VAL 97 8.638 4.183 6.891 749 HG22 VAL 97 HG22 VAL 97 10.167 3.420 6.453 750 HG23 VAL 97 HG23 VAL 97 10.057 4.398 7.918 751 H ARG 98 H ARG 98 8.871 3.245 4.720 752 HA ARG 98 HA ARG 98 7.171 4.460 2.646 753 HB2 ARG 98 HB2 ARG 98 6.807 2.318 1.622 754 HB3 ARG 98 HB3 ARG 98 8.543 2.576 1.746 755 HG2 ARG 98 HG2 ARG 98 7.105 1.058 3.877 756 HG3 ARG 98 HG3 ARG 98 7.534 0.270 2.358 757 HD2 ARG 98 HD2 ARG 98 9.890 1.309 2.841 758 HD3 ARG 98 HD3 ARG 98 9.299 1.362 4.501 759 HE ARG 98 HE ARG 98 9.512 -0.915 4.614 760 HH11 ARG 98 HH11 ARG 98 9.655 0.086 1.283 761 HH12 ARG 98 HH12 ARG 98 10.105 -1.481 0.695 762 HH21 ARG 98 HH21 ARG 98 10.104 -2.983 3.853 763 HH22 ARG 98 HH22 ARG 98 10.359 -3.225 2.158 764 H VAL 99 H VAL 99 4.930 3.835 2.719 765 HA VAL 99 HA VAL 99 4.077 3.065 5.431 766 HB VAL 99 HB VAL 99 2.834 4.898 3.399 767 HG11 VAL 99 HG11 VAL 99 1.497 3.339 5.560 768 HG12 VAL 99 HG12 VAL 99 0.949 4.981 5.219 769 HG13 VAL 99 HG13 VAL 99 0.917 3.758 3.948 770 HG21 VAL 99 HG21 VAL 99 3.630 5.160 6.292 771 HG22 VAL 99 HG22 VAL 99 4.333 5.985 4.900 772 HG23 VAL 99 HG23 VAL 99 2.695 6.377 5.424 773 H THR 100 H THR 100 2.607 1.455 5.719 774 HA THR 100 HA THR 100 1.726 0.022 3.297 775 HB THR 100 HB THR 100 1.840 -2.062 4.517 776 HG1 THR 100 HG1 THR 100 1.903 -2.082 6.632 777 HG21 THR 100 HG21 THR 100 4.355 -0.422 4.840 778 HG22 THR 100 HG22 THR 100 3.895 -1.386 3.437 779 HG23 THR 100 HG23 THR 100 4.276 -2.178 4.965 780 H ASN 101 H ASN 101 -0.207 -1.457 3.802 781 HA ASN 101 HA ASN 101 -2.380 -1.717 4.433 782 HB2 ASN 101 HB2 ASN 101 -1.097 -0.953 6.771 783 HB3 ASN 101 HB3 ASN 101 -2.442 0.177 6.652 784 HD21 ASN 101 HD21 ASN 101 -1.967 -2.003 8.535 785 HD22 ASN 101 HD22 ASN 101 -3.339 -3.046 8.410 786 H LEU 102 H LEU 102 -4.397 -0.219 5.099 787 HA LEU 102 HA LEU 102 -5.761 1.536 4.574 788 HB2 LEU 102 HB2 LEU 102 -3.504 2.805 5.099 789 HB3 LEU 102 HB3 LEU 102 -3.537 3.098 3.362 790 HG LEU 102 HG LEU 102 -4.469 4.998 4.486 791 HD11 LEU 102 HD11 LEU 102 -6.895 3.572 3.484 792 HD12 LEU 102 HD12 LEU 102 -5.572 3.953 2.383 793 HD13 LEU 102 HD13 LEU 102 -6.400 5.247 3.247 794 HD21 LEU 102 HD21 LEU 102 -5.082 3.770 6.569 795 HD22 LEU 102 HD22 LEU 102 -6.504 3.155 5.727 796 HD23 LEU 102 HD23 LEU 102 -6.320 4.888 5.995 797 H ASN 103 H ASN 103 -3.208 1.538 2.077 798 HA ASN 103 HA ASN 103 -5.233 1.612 -0.003 799 HB2 ASN 103 HB2 ASN 103 -3.284 1.800 -1.540 800 HB3 ASN 103 HB3 ASN 103 -3.302 3.044 -0.294 801 HD21 ASN 103 HD21 ASN 103 -1.891 2.777 1.529 802 HD22 ASN 103 HD22 ASN 103 -0.415 1.898 1.350 803 HA PRO 104 HA PRO 104 -5.244 -2.663 -0.999 804 HB2 PRO 104 HB2 PRO 104 -5.542 -2.585 -3.696 805 HB3 PRO 104 HB3 PRO 104 -6.843 -2.173 -2.574 806 HG2 PRO 104 HG2 PRO 104 -4.996 -0.361 -4.079 807 HG3 PRO 104 HG3 PRO 104 -6.744 -0.210 -3.816 808 HD2 PRO 104 HD2 PRO 104 -4.927 1.186 -2.373 809 HD3 PRO 104 HD3 PRO 104 -6.478 0.649 -1.694 810 H ILE 105 H ILE 105 -3.243 -3.510 -0.552 811 HA ILE 105 HA ILE 105 -1.188 -3.282 -2.649 812 HB ILE 105 HB ILE 105 -0.841 -4.039 0.255 813 HG12 ILE 105 HG12 ILE 105 0.633 -1.724 -0.441 814 HG13 ILE 105 HG13 ILE 105 -0.998 -1.491 -1.064 815 HG21 ILE 105 HG21 ILE 105 1.635 -3.440 -0.658 816 HG22 ILE 105 HG22 ILE 105 0.978 -5.073 -0.568 817 HG23 ILE 105 HG23 ILE 105 0.924 -4.184 -2.091 818 HD11 ILE 105 HD11 ILE 105 -1.525 -2.418 1.422 819 HD12 ILE 105 HD12 ILE 105 -0.020 -1.540 1.694 820 HD13 ILE 105 HD13 ILE 105 -1.407 -0.712 0.989 821 H TYR 106 H TYR 106 -1.204 -4.973 -3.971 822 HA TYR 106 HA TYR 106 -1.374 -7.662 -2.795 823 HB2 TYR 106 HB2 TYR 106 -2.595 -7.131 -5.479 824 HB3 TYR 106 HB3 TYR 106 -2.942 -8.422 -4.332 825 HD1 TYR 106 HD1 TYR 106 -3.683 -7.245 -1.899 826 HD2 TYR 106 HD2 TYR 106 -4.408 -5.759 -5.819 827 HE1 TYR 106 HE1 TYR 106 -5.617 -5.980 -1.056 828 HE2 TYR 106 HE2 TYR 106 -6.344 -4.490 -4.987 829 HH TYR 106 HH TYR 106 -7.106 -4.345 -1.551 830 H ALA 107 H ALA 107 -0.406 -5.670 -5.551 831 HA ALA 107 HA ALA 107 0.983 -7.511 -7.061 832 HB1 ALA 107 HB1 ALA 107 1.508 -5.721 -8.272 833 HB2 ALA 107 HB2 ALA 107 0.680 -4.748 -7.055 834 HB3 ALA 107 HB3 ALA 107 2.420 -5.008 -6.942 835 H ASP 108 H ASP 108 2.948 -8.475 -6.981 836 HA ASP 108 HA ASP 108 4.471 -8.139 -4.493 837 HB2 ASP 108 HB2 ASP 108 5.527 -10.349 -5.243 838 HB3 ASP 108 HB3 ASP 108 3.845 -10.399 -4.725 839 H GLY 109 H GLY 109 5.192 -6.083 -5.720 840 HA2 GLY 109 HA2 GLY 109 7.480 -5.362 -6.147 841 HA3 GLY 109 HA3 GLY 109 7.663 -6.770 -7.182 842 H SER 110 H SER 110 5.872 -3.726 -6.862 843 HA SER 110 HA SER 110 4.744 -3.613 -9.390 844 HB2 SER 110 HB2 SER 110 5.287 -1.743 -7.236 845 HB3 SER 110 HB3 SER 110 5.451 -0.974 -8.814 846 HG SER 110 HG SER 110 3.365 -1.482 -9.284 847 H HIS 111 H HIS 111 8.031 -3.069 -8.392 848 HA HIS 111 HA HIS 111 9.022 -1.589 -10.522 849 HB2 HIS 111 HB2 HIS 111 10.458 -3.824 -9.076 850 HB3 HIS 111 HB3 HIS 111 11.207 -2.499 -9.961 851 HD1 HIS 111 HD1 HIS 111 10.265 -3.475 -6.638 852 HD2 HIS 111 HD2 HIS 111 10.530 0.122 -8.699 853 HE1 HIS 111 HE1 HIS 111 10.344 -1.691 -4.867 854 H HIS 112 H HIS 112 10.676 -2.570 -12.139 855 HA HIS 112 HA HIS 112 11.033 -3.769 -14.040 856 HB2 HIS 112 HB2 HIS 112 10.686 -5.648 -12.069 857 HB3 HIS 112 HB3 HIS 112 9.485 -6.139 -13.259 858 HD1 HIS 112 HD1 HIS 112 13.071 -4.907 -13.649 859 HD2 HIS 112 HD2 HIS 112 10.622 -8.080 -14.744 860 HE1 HIS 112 HE1 HIS 112 14.499 -6.391 -15.093 861 H HIS 113 H HIS 113 9.857 -2.656 -15.524 862 HA HIS 113 HA HIS 113 7.052 -3.467 -15.907 863 HB2 HIS 113 HB2 HIS 113 6.908 -1.288 -17.228 864 HB3 HIS 113 HB3 HIS 113 7.080 -1.141 -15.482 865 HD1 HIS 113 HD1 HIS 113 8.930 -0.572 -18.686 866 HD2 HIS 113 HD2 HIS 113 9.457 0.030 -14.609 867 HE1 HIS 113 HE1 HIS 113 10.944 0.920 -18.481 868 H HIS 114 H HIS 114 10.151 -2.977 -17.475 869 HA HIS 114 HA HIS 114 10.992 -3.676 -19.469 870 HB2 HIS 114 HB2 HIS 114 10.081 -5.864 -18.607 871 HB3 HIS 114 HB3 HIS 114 8.637 -5.566 -19.569 872 HD1 HIS 114 HD1 HIS 114 12.138 -4.874 -20.783 873 HD2 HIS 114 HD2 HIS 114 9.044 -7.574 -21.409 874 HE1 HIS 114 HE1 HIS 114 12.822 -6.228 -22.789 875 H HIS 115 H HIS 115 10.134 -1.437 -20.047 876 HA HIS 115 HA HIS 115 7.933 -1.533 -21.972 877 HB2 HIS 115 HB2 HIS 115 9.346 0.676 -20.515 878 HB3 HIS 115 HB3 HIS 115 8.443 1.034 -21.985 879 HD1 HIS 115 HD1 HIS 115 7.589 2.170 -19.238 880 HD2 HIS 115 HD2 HIS 115 6.061 -1.305 -20.928 881 HE1 HIS 115 HE1 HIS 115 5.341 1.832 -18.164 882 H HIS 116 H HIS 116 8.622 -2.270 -23.895 883 HA HIS 116 HA HIS 116 10.275 -0.664 -25.524 884 HB2 HIS 116 HB2 HIS 116 11.728 -2.395 -23.883 885 HB3 HIS 116 HB3 HIS 116 11.684 -3.202 -25.448 886 HD1 HIS 116 HD1 HIS 116 14.139 -1.654 -23.935 887 HD2 HIS 116 HD2 HIS 116 12.000 -0.438 -27.283 888 HE1 HIS 116 HE1 HIS 116 15.649 -0.054 -25.154 889 H2 B6D 117 H2 B6D 117 24.221 35.892 4.063 890 H1 B6D 117 H1 B6D 117 21.151 35.671 4.014 891 H3 B6D 117 H3 B6D 117 22.269 34.708 6.099 892 HN2 B6D 117 HN2 B6D 117 24.213 33.774 3.287 893 H5 B6D 117 H5 B6D 117 21.056 37.055 6.184 894 H8 B6D 117 H22 B6D 117 22.291 32.155 1.585 895 H8A B6D 117 H21 B6D 117 21.749 31.173 2.966 896 H8B B6D 117 H23 B6D 117 23.474 31.595 2.792 897 H4 B6D 117 H4 B6D 117 24.115 37.141 6.234 898 HN4 B6D 117 HN4 B6D 117 22.649 35.698 8.284 899 H9 B6D 117 H43 B6D 117 23.543 38.055 10.915 900 H9A B6D 117 H41 B6D 117 21.980 37.346 10.434 901 H9B B6D 117 H42 B6D 117 23.414 36.303 10.586 902 H6 B6D 117 H62 B6D 117 21.213 39.509 5.885 903 H6A B6D 117 H63 B6D 117 21.956 39.033 7.424 904 H6B B6D 117 H61 B6D 117 22.978 39.433 6.034 905 H1 A2G 118 H1 A2G 118 23.312 33.850 8.094 906 H2 A2G 118 H2 A2G 118 25.138 32.338 8.864 907 H3 A2G 118 H3 A2G 118 26.560 33.382 6.365 908 H4 A2G 118 H4 A2G 118 26.598 31.057 5.670 909 H5 A2G 118 H5 A2G 118 24.702 32.254 5.029 910 H61 A2G 118 H61 A2G 118 24.085 29.426 5.656 911 H62 A2G 118 H62 A2G 118 24.146 30.288 4.113 912 H81 A2G 118 H81 A2G 118 25.501 35.958 11.787 913 H82 A2G 118 H82 A2G 118 26.057 36.528 10.194 914 H83 A2G 118 H83 A2G 118 27.173 35.620 11.244 915 HO3 A2G 118 HO3 A2G 118 28.007 31.554 7.531 916 HO6 A2G 118 HO6 A2G 118 21.979 29.724 4.828 917 HN2 A2G 118 HN2 A2G 118 26.304 35.009 8.415 918 H1 A2G 119 H1 A2G 119 25.968 28.753 5.932 919 H2 A2G 119 H2 A2G 119 25.803 26.842 7.524 920 H3 A2G 119 H3 A2G 119 25.476 29.068 9.596 921 H4 A2G 119 H4 A2G 119 27.478 28.137 10.604 922 H5 A2G 119 H5 A2G 119 27.851 29.771 8.982 923 H61 A2G 119 H61 A2G 119 29.984 27.802 8.186 924 H62 A2G 119 H62 A2G 119 29.933 28.611 9.759 925 H81 A2G 119 H81 A2G 119 21.750 27.289 5.930 926 H82 A2G 119 H82 A2G 119 21.308 27.716 7.602 927 H83 A2G 119 H83 A2G 119 21.200 26.020 7.067 928 HO3 A2G 119 HO3 A2G 119 24.586 27.668 10.853 929 HO6 A2G 119 HO6 A2G 119 29.901 29.995 7.263 930 HN2 A2G 119 HN2 A2G 119 23.589 28.776 7.411 931 H1 A2G 120 H1 A2G 120 29.183 26.568 10.802 932 H2 A2G 120 H2 A2G 120 29.960 24.227 10.440 933 H3 A2G 120 H3 A2G 120 27.792 24.228 8.282 934 H4 A2G 120 H4 A2G 120 26.820 22.405 9.555 935 H5 A2G 120 H5 A2G 120 26.120 24.538 10.185 936 H61 A2G 120 H61 A2G 120 26.491 23.468 12.959 937 H62 A2G 120 H62 A2G 120 25.464 22.638 11.781 938 H81 A2G 120 H81 A2G 120 32.135 27.659 7.884 939 H82 A2G 120 H82 A2G 120 32.137 26.068 7.081 940 H83 A2G 120 H83 A2G 120 33.406 26.458 8.268 941 HO6 A2G 120 HO6 A2G 120 25.188 25.422 12.306 942 HN2 A2G 120 HN2 A2G 120 30.172 25.173 7.751 943 H1 A2G 121 H1 A2G 121 26.711 20.982 11.461 944 H2 A2G 121 H2 A2G 121 27.983 19.582 13.086 945 H3 A2G 121 H3 A2G 121 30.274 21.475 12.367 946 H4 A2G 121 H4 A2G 121 31.419 19.469 11.621 947 H5 A2G 121 H5 A2G 121 30.109 20.524 10.005 948 H61 A2G 121 H61 A2G 121 30.796 17.934 9.549 949 H62 A2G 121 H62 A2G 121 30.197 19.078 8.340 950 H81 A2G 121 H81 A2G 121 25.413 22.118 16.061 951 H82 A2G 121 H82 A2G 121 26.271 23.299 15.037 952 H83 A2G 121 H83 A2G 121 27.127 22.513 16.389 953 HO3 A2G 121 HO3 A2G 121 31.373 20.624 14.028 954 HO6 A2G 121 HO6 A2G 121 28.002 18.284 9.138 955 HN2 A2G 121 HN2 A2G 121 28.352 22.388 13.894 956 H1 A2G 122 H1 A2G 122 31.585 17.142 11.267 957 H2 A2G 122 H2 A2G 122 31.035 14.862 12.114 958 H3 A2G 122 H3 A2G 122 28.686 16.315 13.428 959 H4 A2G 122 H4 A2G 122 29.636 15.523 15.516 960 H5 A2G 122 H5 A2G 122 30.435 17.587 14.783 961 H61 A2G 122 H61 A2G 122 33.067 17.439 15.474 962 H62 A2G 122 H62 A2G 122 32.398 15.989 16.237 963 H81 A2G 122 H81 A2G 122 29.598 15.208 7.611 964 H82 A2G 122 H82 A2G 122 28.203 15.455 8.692 965 H83 A2G 122 H83 A2G 122 28.788 13.804 8.369 966 HO3 A2G 122 HO3 A2G 122 29.201 13.538 13.157 967 HO6 A2G 122 HO6 A2G 122 31.255 17.188 17.571 968 HN2 A2G 122 HN2 A2G 122 28.549 15.785 10.887 969 H2 BGC 123 H2 BGC 123 30.239 20.821 6.928 970 H3 BGC 123 H3 BGC 123 28.337 20.674 4.556 971 H4 BGC 123 H4 BGC 123 28.305 18.651 6.859 972 H5 BGC 123 H5 BGC 123 26.258 20.834 6.201 973 H6C1 BGC 123 H61 BGC 123 25.913 19.521 8.792 974 H6C2 BGC 123 H62 BGC 123 24.723 19.755 7.497 975 H1 BGC 123 H1 BGC 123 27.843 22.701 6.624 976 HB BGC 123 HO2 BGC 123 29.517 22.411 4.703 977 HC BGC 123 HO3 BGC 123 29.511 18.648 4.383 978 HD BGC 123 HO4 BGC 123 26.522 19.099 4.658 979 H6 BGC 123 HO6 BGC 123 25.554 17.478 8.133 Start of MODEL 8 1 H1 ASP 1 H ASP 1 -0.424 2.385 0.425 2 HA ASP 1 HA ASP 1 1.948 0.822 -0.316 3 HB2 ASP 1 HB2 ASP 1 -0.605 1.470 -1.784 4 HB3 ASP 1 HB3 ASP 1 0.796 0.781 -2.597 5 H VAL 2 H VAL 2 2.288 3.501 0.534 6 HA VAL 2 HA VAL 2 3.389 4.646 -1.932 7 HB VAL 2 HB VAL 2 1.802 6.205 0.113 8 HG11 VAL 2 HG11 VAL 2 3.638 7.045 -2.083 9 HG12 VAL 2 HG12 VAL 2 2.225 8.035 -1.712 10 HG13 VAL 2 HG13 VAL 2 3.433 7.718 -0.466 11 HG21 VAL 2 HG21 VAL 2 1.272 5.805 -2.828 12 HG22 VAL 2 HG22 VAL 2 0.486 4.887 -1.544 13 HG23 VAL 2 HG23 VAL 2 0.240 6.629 -1.659 14 H ILE 3 H ILE 3 5.329 5.690 -1.698 15 HA ILE 3 HA ILE 3 6.686 5.275 0.845 16 HB ILE 3 HB ILE 3 7.785 6.221 -1.803 17 HG12 ILE 3 HG12 ILE 3 7.863 3.512 -0.457 18 HG13 ILE 3 HG13 ILE 3 6.982 3.922 -1.925 19 HG21 ILE 3 HG21 ILE 3 9.117 7.012 0.073 20 HG22 ILE 3 HG22 ILE 3 9.208 5.374 0.715 21 HG23 ILE 3 HG23 ILE 3 9.982 5.762 -0.821 22 HD11 ILE 3 HD11 ILE 3 9.270 4.527 -2.895 23 HD12 ILE 3 HD12 ILE 3 9.931 3.636 -1.523 24 HD13 ILE 3 HD13 ILE 3 8.880 2.820 -2.680 25 H ILE 4 H ILE 4 7.356 6.854 2.189 26 HA ILE 4 HA ILE 4 6.390 9.548 1.672 27 HB ILE 4 HB ILE 4 7.566 8.246 4.121 28 HG12 ILE 4 HG12 ILE 4 4.833 9.399 3.521 29 HG13 ILE 4 HG13 ILE 4 5.233 7.687 3.594 30 HG21 ILE 4 HG21 ILE 4 7.073 10.378 5.289 31 HG22 ILE 4 HG22 ILE 4 8.372 10.508 4.105 32 HG23 ILE 4 HG23 ILE 4 6.765 11.123 3.720 33 HD11 ILE 4 HD11 ILE 4 5.362 9.635 5.883 34 HD12 ILE 4 HD12 ILE 4 4.125 8.405 5.620 35 HD13 ILE 4 HD13 ILE 4 5.788 7.926 5.962 36 H LYS 5 H LYS 5 7.692 10.748 0.431 37 HA LYS 5 HA LYS 5 10.516 10.963 1.229 38 HB2 LYS 5 HB2 LYS 5 9.511 11.035 -1.621 39 HB3 LYS 5 HB3 LYS 5 11.185 11.157 -1.097 40 HG2 LYS 5 HG2 LYS 5 11.397 8.959 -1.180 41 HG3 LYS 5 HG3 LYS 5 10.072 8.764 -0.030 42 HD2 LYS 5 HD2 LYS 5 8.633 8.154 -1.634 43 HD3 LYS 5 HD3 LYS 5 9.171 9.435 -2.722 44 HE2 LYS 5 HE2 LYS 5 11.306 7.714 -2.718 45 HE3 LYS 5 HE3 LYS 5 9.932 6.616 -2.610 46 HZ1 LYS 5 HZ1 LYS 5 9.601 6.902 -4.765 47 HZ2 LYS 5 HZ2 LYS 5 10.887 7.997 -4.857 48 HZ3 LYS 5 HZ3 LYS 5 9.325 8.553 -4.523 49 HA PRO 6 HA PRO 6 9.916 15.309 1.337 50 HB2 PRO 6 HB2 PRO 6 12.349 16.212 0.542 51 HB3 PRO 6 HB3 PRO 6 12.068 15.473 2.122 52 HG2 PRO 6 HG2 PRO 6 13.208 14.253 -0.363 53 HG3 PRO 6 HG3 PRO 6 13.749 14.081 1.317 54 HD2 PRO 6 HD2 PRO 6 12.260 12.197 0.066 55 HD3 PRO 6 HD3 PRO 6 12.135 12.511 1.809 56 H GLN 7 H GLN 7 9.164 16.910 0.050 57 HA GLN 7 HA GLN 7 8.995 16.411 -2.782 58 HB2 GLN 7 HB2 GLN 7 7.085 17.308 -1.480 59 HB3 GLN 7 HB3 GLN 7 8.003 18.778 -1.184 60 HG2 GLN 7 HG2 GLN 7 7.795 19.511 -3.349 61 HG3 GLN 7 HG3 GLN 7 7.553 17.887 -3.989 62 HE21 GLN 7 HE21 GLN 7 5.928 19.557 -1.332 63 HE22 GLN 7 HE22 GLN 7 4.343 19.478 -2.016 64 H VAL 8 H VAL 8 11.363 17.682 -0.933 65 HA VAL 8 HA VAL 8 12.431 19.218 -3.181 66 HB VAL 8 HB VAL 8 13.340 20.879 -1.406 67 HG11 VAL 8 HG11 VAL 8 10.935 20.799 -2.977 68 HG12 VAL 8 HG12 VAL 8 10.687 21.769 -1.524 69 HG13 VAL 8 HG13 VAL 8 12.002 22.161 -2.632 70 HG21 VAL 8 HG21 VAL 8 10.828 20.040 0.025 71 HG22 VAL 8 HG22 VAL 8 12.431 19.469 0.489 72 HG23 VAL 8 HG23 VAL 8 12.054 21.191 0.558 73 H SER 9 H SER 9 14.768 19.634 -2.964 74 HA SER 9 HA SER 9 16.067 17.377 -1.618 75 HB2 SER 9 HB2 SER 9 16.904 17.212 -3.723 76 HB3 SER 9 HB3 SER 9 16.585 18.907 -4.091 77 HG SER 9 HG SER 9 18.895 17.794 -3.455 78 H GLY 10 H GLY 10 17.594 17.635 -0.071 79 HA2 GLY 10 HA2 GLY 10 19.153 19.907 0.383 80 HA3 GLY 10 HA3 GLY 10 17.705 20.064 1.366 81 H VAL 11 H VAL 11 17.848 19.294 3.357 82 HA VAL 11 HA VAL 11 19.355 16.862 3.888 83 HB VAL 11 HB VAL 11 19.972 19.408 5.394 84 HG11 VAL 11 HG11 VAL 11 20.767 16.552 5.712 85 HG12 VAL 11 HG12 VAL 11 21.919 17.818 6.142 86 HG13 VAL 11 HG13 VAL 11 20.345 17.748 6.937 87 HG21 VAL 11 HG21 VAL 11 20.959 19.599 3.234 88 HG22 VAL 11 HG22 VAL 11 22.241 19.143 4.356 89 HG23 VAL 11 HG23 VAL 11 21.536 17.933 3.283 90 H ILE 12 H ILE 12 18.777 15.830 5.821 91 HA ILE 12 HA ILE 12 16.109 16.251 6.667 92 HB ILE 12 HB ILE 12 18.287 14.557 7.895 93 HG12 ILE 12 HG12 ILE 12 17.471 14.067 5.521 94 HG13 ILE 12 HG13 ILE 12 17.388 12.741 6.675 95 HG21 ILE 12 HG21 ILE 12 16.376 13.360 8.980 96 HG22 ILE 12 HG22 ILE 12 16.671 14.986 9.592 97 HG23 ILE 12 HG23 ILE 12 15.336 14.692 8.479 98 HD11 ILE 12 HD11 ILE 12 15.386 13.330 5.062 99 HD12 ILE 12 HD12 ILE 12 15.118 12.728 6.699 100 HD13 ILE 12 HD13 ILE 12 14.990 14.454 6.363 101 H VAL 13 H VAL 13 15.270 17.078 8.552 102 HA VAL 13 HA VAL 13 17.127 18.707 10.158 103 HB VAL 13 HB VAL 13 14.165 19.182 10.051 104 HG11 VAL 13 HG11 VAL 13 14.617 21.007 11.255 105 HG12 VAL 13 HG12 VAL 13 16.206 20.291 11.531 106 HG13 VAL 13 HG13 VAL 13 15.976 21.452 10.223 107 HG21 VAL 13 HG21 VAL 13 14.392 19.533 7.838 108 HG22 VAL 13 HG22 VAL 13 15.118 21.056 8.352 109 HG23 VAL 13 HG23 VAL 13 16.146 19.685 7.935 110 H ASN 14 H ASN 14 14.411 16.472 10.282 111 HA ASN 14 HA ASN 14 15.186 15.431 12.794 112 HB2 ASN 14 HB2 ASN 14 14.036 17.733 13.300 113 HB3 ASN 14 HB3 ASN 14 12.548 16.843 12.990 114 HD21 ASN 14 HD21 ASN 14 11.637 15.998 14.706 115 HD22 ASN 14 HD22 ASN 14 12.439 15.518 16.158 116 H LYS 15 H LYS 15 13.329 13.995 13.704 117 HA LYS 15 HA LYS 15 11.667 12.942 11.529 118 HB2 LYS 15 HB2 LYS 15 13.437 11.249 13.303 119 HB3 LYS 15 HB3 LYS 15 12.297 10.638 12.113 120 HG2 LYS 15 HG2 LYS 15 13.619 11.228 10.338 121 HG3 LYS 15 HG3 LYS 15 14.418 12.527 11.225 122 HD2 LYS 15 HD2 LYS 15 15.980 10.721 10.874 123 HD3 LYS 15 HD3 LYS 15 15.584 10.824 12.592 124 HE2 LYS 15 HE2 LYS 15 13.903 9.014 12.235 125 HE3 LYS 15 HE3 LYS 15 14.497 8.856 10.583 126 HZ1 LYS 15 HZ1 LYS 15 16.480 8.727 12.715 127 HZ2 LYS 15 HZ2 LYS 15 16.396 7.866 11.262 128 HZ3 LYS 15 HZ3 LYS 15 15.432 7.407 12.573 129 H LEU 16 H LEU 16 9.764 13.600 12.437 130 HA LEU 16 HA LEU 16 9.198 12.932 15.217 131 HB2 LEU 16 HB2 LEU 16 7.367 14.290 13.256 132 HB3 LEU 16 HB3 LEU 16 7.266 14.300 15.016 133 HG LEU 16 HG LEU 16 9.592 15.508 14.826 134 HD11 LEU 16 HD11 LEU 16 10.253 16.078 12.792 135 HD12 LEU 16 HD12 LEU 16 8.756 16.976 12.546 136 HD13 LEU 16 HD13 LEU 16 8.843 15.272 12.102 137 HD21 LEU 16 HD21 LEU 16 7.509 16.424 15.786 138 HD22 LEU 16 HD22 LEU 16 7.012 16.927 14.170 139 HD23 LEU 16 HD23 LEU 16 8.448 17.633 14.911 140 H PHE 17 H PHE 17 9.470 10.600 14.187 141 HA PHE 17 HA PHE 17 6.782 9.526 14.063 142 HB2 PHE 17 HB2 PHE 17 6.811 8.664 11.951 143 HB3 PHE 17 HB3 PHE 17 7.864 10.047 11.666 144 HD1 PHE 17 HD2 PHE 17 10.430 9.536 12.244 145 HD2 PHE 17 HD1 PHE 17 7.509 6.642 11.144 146 HE1 PHE 17 HE2 PHE 17 12.217 8.021 11.492 147 HE2 PHE 17 HE1 PHE 17 9.292 5.123 10.392 148 HZ PHE 17 HZ PHE 17 11.650 5.812 10.564 149 H LYS 18 H LYS 18 6.967 7.012 13.839 150 HA LYS 18 HA LYS 18 9.299 6.081 15.375 151 HB2 LYS 18 HB2 LYS 18 6.379 5.615 15.913 152 HB3 LYS 18 HB3 LYS 18 7.588 4.461 16.460 153 HG2 LYS 18 HG2 LYS 18 7.945 7.339 17.131 154 HG3 LYS 18 HG3 LYS 18 6.755 6.388 18.023 155 HD2 LYS 18 HD2 LYS 18 8.486 4.773 18.623 156 HD3 LYS 18 HD3 LYS 18 9.678 5.700 17.708 157 HE2 LYS 18 HE2 LYS 18 10.083 6.540 19.785 158 HE3 LYS 18 HE3 LYS 18 8.812 7.651 19.279 159 HZ1 LYS 18 HZ1 LYS 18 7.748 5.295 20.485 160 HZ2 LYS 18 HZ2 LYS 18 7.480 6.918 20.879 161 HZ3 LYS 18 HZ3 LYS 18 8.809 6.098 21.531 162 H ALA 19 H ALA 19 9.756 3.796 15.166 163 HA ALA 19 HA ALA 19 9.249 2.863 12.469 164 HB1 ALA 19 HB1 ALA 19 11.490 2.798 13.795 165 HB2 ALA 19 HB2 ALA 19 10.827 1.310 14.473 166 HB3 ALA 19 HB3 ALA 19 11.058 1.459 12.731 167 H GLY 20 H GLY 20 7.339 1.890 12.150 168 HA2 GLY 20 HA2 GLY 20 6.058 -0.105 12.230 169 HA3 GLY 20 HA3 GLY 20 6.705 -0.426 13.832 170 H ASP 21 H ASP 21 5.750 2.792 13.451 171 HA ASP 21 HA ASP 21 3.413 2.313 15.132 172 HB2 ASP 21 HB2 ASP 21 5.250 4.579 14.656 173 HB3 ASP 21 HB3 ASP 21 3.568 5.013 14.951 174 H LYS 22 H LYS 22 1.694 4.240 14.667 175 HA LYS 22 HA LYS 22 0.813 3.746 11.910 176 HB2 LYS 22 HB2 LYS 22 -0.548 4.001 14.494 177 HB3 LYS 22 HB3 LYS 22 -1.316 4.917 13.202 178 HG2 LYS 22 HG2 LYS 22 -0.715 2.387 12.134 179 HG3 LYS 22 HG3 LYS 22 -1.410 2.111 13.734 180 HD2 LYS 22 HD2 LYS 22 -2.702 4.042 11.848 181 HD3 LYS 22 HD3 LYS 22 -2.975 2.308 11.663 182 HE2 LYS 22 HE2 LYS 22 -3.260 3.329 14.403 183 HE3 LYS 22 HE3 LYS 22 -4.446 3.945 13.254 184 HZ1 LYS 22 HZ1 LYS 22 -5.194 1.914 14.353 185 HZ2 LYS 22 HZ2 LYS 22 -3.865 1.072 13.734 186 HZ3 LYS 22 HZ3 LYS 22 -5.039 1.689 12.684 187 H VAL 23 H VAL 23 -0.044 5.451 10.642 188 HA VAL 23 HA VAL 23 0.855 8.133 11.476 189 HB VAL 23 HB VAL 23 1.320 8.672 9.167 190 HG11 VAL 23 HG11 VAL 23 3.129 7.662 10.420 191 HG12 VAL 23 HG12 VAL 23 2.567 6.048 9.981 192 HG13 VAL 23 HG13 VAL 23 3.196 7.131 8.740 193 HG21 VAL 23 HG21 VAL 23 -0.296 7.484 7.943 194 HG22 VAL 23 HG22 VAL 23 1.246 6.772 7.470 195 HG23 VAL 23 HG23 VAL 23 0.205 5.936 8.621 196 H LYS 24 H LYS 24 -0.266 9.845 9.961 197 HA LYS 24 HA LYS 24 -3.112 9.172 9.672 198 HB2 LYS 24 HB2 LYS 24 -1.874 11.353 11.289 199 HB3 LYS 24 HB3 LYS 24 -3.399 11.681 10.475 200 HG2 LYS 24 HG2 LYS 24 -3.866 9.259 11.677 201 HG3 LYS 24 HG3 LYS 24 -2.847 10.094 12.852 202 HD2 LYS 24 HD2 LYS 24 -5.121 10.614 13.364 203 HD3 LYS 24 HD3 LYS 24 -4.389 12.059 12.663 204 HE2 LYS 24 HE2 LYS 24 -5.405 11.553 10.514 205 HE3 LYS 24 HE3 LYS 24 -6.087 10.064 11.167 206 HZ1 LYS 24 HZ1 LYS 24 -7.277 11.521 12.809 207 HZ2 LYS 24 HZ2 LYS 24 -7.796 11.664 11.205 208 HZ3 LYS 24 HZ3 LYS 24 -6.798 12.851 11.880 209 H LYS 25 H LYS 25 -4.216 11.271 8.630 210 HA LYS 25 HA LYS 25 -2.925 11.561 6.067 211 HB2 LYS 25 HB2 LYS 25 -5.398 13.067 6.821 212 HB3 LYS 25 HB3 LYS 25 -4.958 12.349 5.278 213 HG2 LYS 25 HG2 LYS 25 -5.286 10.104 6.313 214 HG3 LYS 25 HG3 LYS 25 -5.910 10.920 7.748 215 HD2 LYS 25 HD2 LYS 25 -7.807 10.326 6.478 216 HD3 LYS 25 HD3 LYS 25 -7.574 12.054 6.200 217 HE2 LYS 25 HE2 LYS 25 -6.173 10.292 4.313 218 HE3 LYS 25 HE3 LYS 25 -7.931 10.201 4.242 219 HZ1 LYS 25 HZ1 LYS 25 -7.020 12.897 4.390 220 HZ2 LYS 25 HZ2 LYS 25 -8.031 12.167 3.247 221 HZ3 LYS 25 HZ3 LYS 25 -6.350 12.097 3.059 222 H GLY 26 H GLY 26 -1.120 12.841 6.329 223 HA2 GLY 26 HA2 GLY 26 -0.261 15.022 5.971 224 HA3 GLY 26 HA3 GLY 26 -1.687 15.685 6.757 225 H GLN 27 H GLN 27 -0.304 13.049 8.399 226 HA GLN 27 HA GLN 27 0.429 14.722 10.611 227 HB2 GLN 27 HB2 GLN 27 -0.345 12.069 10.305 228 HB3 GLN 27 HB3 GLN 27 1.341 11.966 10.796 229 HG2 GLN 27 HG2 GLN 27 0.489 13.761 12.579 230 HG3 GLN 27 HG3 GLN 27 -1.023 12.898 12.298 231 HE21 GLN 27 HE21 GLN 27 2.395 11.975 12.578 232 HE22 GLN 27 HE22 GLN 27 2.141 10.740 13.759 233 H THR 28 H THR 28 2.356 15.566 11.037 234 HA THR 28 HA THR 28 4.528 15.357 9.263 235 HB THR 28 HB THR 28 5.238 16.164 11.997 236 HG1 THR 28 HG1 THR 28 3.153 17.507 10.587 237 HG21 THR 28 HG21 THR 28 6.115 18.106 10.850 238 HG22 THR 28 HG22 THR 28 5.258 17.662 9.375 239 HG23 THR 28 HG23 THR 28 6.575 16.651 9.968 240 H LEU 29 H LEU 29 6.100 13.901 9.084 241 HA LEU 29 HA LEU 29 6.645 12.132 11.375 242 HB2 LEU 29 HB2 LEU 29 6.670 11.368 8.459 243 HB3 LEU 29 HB3 LEU 29 7.057 10.309 9.812 244 HG LEU 29 HG LEU 29 4.349 11.577 9.517 245 HD11 LEU 29 HD11 LEU 29 5.489 9.209 8.118 246 HD12 LEU 29 HD12 LEU 29 4.347 10.422 7.539 247 HD13 LEU 29 HD13 LEU 29 3.809 9.163 8.652 248 HD21 LEU 29 HD21 LEU 29 5.431 10.294 11.613 249 HD22 LEU 29 HD22 LEU 29 4.775 8.918 10.725 250 HD23 LEU 29 HD23 LEU 29 3.713 10.236 11.220 251 H PHE 30 H PHE 30 7.884 13.901 8.629 252 HA PHE 30 HA PHE 30 10.558 13.767 9.798 253 HB2 PHE 30 HB2 PHE 30 10.042 13.241 6.863 254 HB3 PHE 30 HB3 PHE 30 11.612 13.279 7.658 255 HD1 PHE 30 HD1 PHE 30 8.421 11.430 7.454 256 HD2 PHE 30 HD2 PHE 30 12.480 11.377 8.734 257 HE1 PHE 30 HE1 PHE 30 8.242 9.019 7.908 258 HE2 PHE 30 HE2 PHE 30 12.309 8.967 9.190 259 HZ PHE 30 HZ PHE 30 10.189 7.783 8.776 260 H ILE 31 H ILE 31 12.054 15.358 8.690 261 HA ILE 31 HA ILE 31 10.668 17.621 7.474 262 HB ILE 31 HB ILE 31 12.462 18.039 9.861 263 HG12 ILE 31 HG12 ILE 31 9.444 17.945 9.711 264 HG13 ILE 31 HG13 ILE 31 10.492 16.901 10.665 265 HG21 ILE 31 HG21 ILE 31 11.794 20.301 9.762 266 HG22 ILE 31 HG22 ILE 31 12.190 19.842 8.107 267 HG23 ILE 31 HG23 ILE 31 10.504 19.948 8.613 268 HD11 ILE 31 HD11 ILE 31 10.241 18.288 12.363 269 HD12 ILE 31 HD12 ILE 31 11.081 19.532 11.438 270 HD13 ILE 31 HD13 ILE 31 9.324 19.409 11.357 271 H ILE 32 H ILE 32 11.922 18.806 6.098 272 HA ILE 32 HA ILE 32 14.809 18.386 6.070 273 HB ILE 32 HB ILE 32 12.959 17.602 3.843 274 HG12 ILE 32 HG12 ILE 32 15.511 16.300 4.787 275 HG13 ILE 32 HG13 ILE 32 13.954 15.972 5.539 276 HG21 ILE 32 HG21 ILE 32 15.020 17.532 2.383 277 HG22 ILE 32 HG22 ILE 32 14.374 19.134 2.731 278 HG23 ILE 32 HG23 ILE 32 15.800 18.553 3.590 279 HD11 ILE 32 HD11 ILE 32 14.047 15.698 2.612 280 HD12 ILE 32 HD12 ILE 32 14.980 14.520 3.537 281 HD13 ILE 32 HD13 ILE 32 13.250 14.699 3.827 282 H GLU 33 H GLU 33 15.929 20.146 5.425 283 HA GLU 33 HA GLU 33 14.381 22.532 4.775 284 HB2 GLU 33 HB2 GLU 33 15.864 23.019 6.501 285 HB3 GLU 33 HB3 GLU 33 17.147 22.036 5.810 286 HG2 GLU 33 HG2 GLU 33 16.326 24.321 4.167 287 HG3 GLU 33 HG3 GLU 33 17.052 24.738 5.718 288 H GLN 34 H GLN 34 14.385 23.492 2.836 289 HA GLN 34 HA GLN 34 16.357 22.593 0.844 290 HB2 GLN 34 HB2 GLN 34 14.721 22.416 -0.832 291 HB3 GLN 34 HB3 GLN 34 13.991 21.654 0.574 292 HG2 GLN 34 HG2 GLN 34 13.371 24.308 -0.656 293 HG3 GLN 34 HG3 GLN 34 12.290 22.956 -0.328 294 HE21 GLN 34 HE21 GLN 34 12.187 22.378 2.074 295 HE22 GLN 34 HE22 GLN 34 12.013 23.709 3.160 296 H ASP 35 H ASP 35 15.345 24.274 -1.222 297 HA ASP 35 HA ASP 35 15.285 26.453 -1.957 298 HB2 ASP 35 HB2 ASP 35 14.466 26.779 0.631 299 HB3 ASP 35 HB3 ASP 35 15.947 27.733 0.609 300 H GLN 36 H GLN 36 17.738 24.783 -0.595 301 HA GLN 36 HA GLN 36 20.014 24.987 -0.489 302 HB2 GLN 36 HB2 GLN 36 20.124 26.746 -2.849 303 HB3 GLN 36 HB3 GLN 36 20.881 25.184 -2.569 304 HG2 GLN 36 HG2 GLN 36 18.067 25.729 -3.468 305 HG3 GLN 36 HG3 GLN 36 19.358 24.934 -4.368 306 HE21 GLN 36 HE21 GLN 36 16.567 24.310 -2.976 307 HE22 GLN 36 HE22 GLN 36 16.832 22.708 -2.385 308 H ALA 37 H ALA 37 19.173 26.622 1.346 309 HA ALA 37 HA ALA 37 20.188 29.315 0.844 310 HB1 ALA 37 HB1 ALA 37 18.915 30.035 2.582 311 HB2 ALA 37 HB2 ALA 37 18.002 28.582 2.169 312 HB3 ALA 37 HB3 ALA 37 19.146 28.554 3.511 313 H SER 38 H SER 38 22.008 27.039 0.960 314 HA SER 38 HA SER 38 24.061 26.526 1.797 315 HB2 SER 38 HB2 SER 38 23.849 29.169 3.258 316 HB3 SER 38 HB3 SER 38 25.328 28.270 2.919 317 HG SER 38 HG SER 38 24.332 30.112 1.434 318 H LYS 39 H LYS 39 25.305 26.318 3.985 319 HA LYS 39 HA LYS 39 23.365 25.324 5.961 320 HB2 LYS 39 HB2 LYS 39 26.127 24.447 5.183 321 HB3 LYS 39 HB3 LYS 39 25.489 24.047 6.773 322 HG2 LYS 39 HG2 LYS 39 25.095 22.200 5.320 323 HG3 LYS 39 HG3 LYS 39 23.544 22.975 5.654 324 HD2 LYS 39 HD2 LYS 39 23.728 22.399 3.296 325 HD3 LYS 39 HD3 LYS 39 23.680 24.151 3.505 326 HE2 LYS 39 HE2 LYS 39 25.368 23.388 1.852 327 HE3 LYS 39 HE3 LYS 39 26.054 24.310 3.189 328 HZ1 LYS 39 HZ1 LYS 39 25.969 21.362 3.275 329 HZ2 LYS 39 HZ2 LYS 39 26.984 22.420 4.119 330 HZ3 LYS 39 HZ3 LYS 39 27.217 22.166 2.463 331 H ASP 40 H ASP 40 26.547 26.901 5.730 332 HA ASP 40 HA ASP 40 26.226 27.883 8.472 333 HB2 ASP 40 HB2 ASP 40 28.369 26.733 7.597 334 HB3 ASP 40 HB3 ASP 40 28.681 28.259 6.775 335 H PHE 41 H PHE 41 24.620 28.980 6.365 336 HA PHE 41 HA PHE 41 25.594 31.755 6.439 337 HB2 PHE 41 HB2 PHE 41 25.451 30.261 4.130 338 HB3 PHE 41 HB3 PHE 41 23.914 31.122 4.123 339 HD1 PHE 41 HD2 PHE 41 27.441 31.970 5.019 340 HD2 PHE 41 HD1 PHE 41 23.941 33.003 2.828 341 HE1 PHE 41 HE2 PHE 41 28.575 33.977 4.162 342 HE2 PHE 41 HE1 PHE 41 25.070 35.012 1.966 343 HZ PHE 41 HZ PHE 41 27.389 35.502 2.634 344 H ASN 42 H ASN 42 23.346 32.864 5.139 345 HA ASN 42 HA ASN 42 21.121 33.387 5.407 346 HB2 ASN 42 HB2 ASN 42 19.700 31.811 6.168 347 HB3 ASN 42 HB3 ASN 42 21.129 30.786 6.286 348 HD21 ASN 42 HD21 ASN 42 18.582 30.991 7.856 349 H ARG 43 H ARG 43 23.620 33.756 7.437 350 HA ARG 43 HA ARG 43 24.104 35.300 9.042 351 HB2 ARG 43 HB2 ARG 43 21.802 36.341 7.757 352 HB3 ARG 43 HB3 ARG 43 21.565 36.550 9.487 353 HG2 ARG 43 HG2 ARG 43 24.143 37.380 9.173 354 HG3 ARG 43 HG3 ARG 43 23.397 37.906 7.663 355 HD2 ARG 43 HD2 ARG 43 21.819 39.237 8.780 356 HD3 ARG 43 HD3 ARG 43 22.124 38.446 10.326 357 HE ARG 43 HE ARG 43 24.508 39.600 9.664 358 HH11 ARG 43 HH11 ARG 43 21.242 40.740 10.059 359 HH12 ARG 43 HH12 ARG 43 21.719 42.324 10.576 360 HH21 ARG 43 HH21 ARG 43 25.148 41.681 10.344 361 HH22 ARG 43 HH22 ARG 43 23.941 42.859 10.737 362 H SER 44 H SER 44 20.698 34.385 9.604 363 HA SER 44 HA SER 44 19.663 33.399 11.374 364 HB2 SER 44 HB2 SER 44 20.949 31.489 11.411 365 HB3 SER 44 HB3 SER 44 22.455 32.379 11.631 366 HG SER 44 HG SER 44 22.252 32.044 13.683 367 H LYS 45 H LYS 45 18.797 34.552 12.952 368 HA LYS 45 HA LYS 45 19.829 36.838 14.071 369 HB2 LYS 45 HB2 LYS 45 17.994 35.003 15.601 370 HB3 LYS 45 HB3 LYS 45 18.062 36.759 15.651 371 HG2 LYS 45 HG2 LYS 45 16.318 36.677 14.267 372 HG3 LYS 45 HG3 LYS 45 17.505 36.288 13.021 373 HD2 LYS 45 HD2 LYS 45 17.124 33.834 13.933 374 HD3 LYS 45 HD3 LYS 45 15.576 34.518 14.436 375 HE2 LYS 45 HE2 LYS 45 15.362 33.521 12.242 376 HE3 LYS 45 HE3 LYS 45 15.187 35.272 12.123 377 HZ1 LYS 45 HZ1 LYS 45 16.609 34.260 10.379 378 HZ2 LYS 45 HZ2 LYS 45 17.721 33.827 11.578 379 HZ3 LYS 45 HZ3 LYS 45 17.390 35.459 11.281 380 H ALA 46 H ALA 46 19.541 33.771 15.876 381 HA ALA 46 HA ALA 46 22.209 33.787 16.805 382 HB1 ALA 46 HB1 ALA 46 20.404 35.488 18.238 383 HB2 ALA 46 HB2 ALA 46 20.941 34.169 19.281 384 HB3 ALA 46 HB3 ALA 46 22.127 35.215 18.500 385 H LEU 47 H LEU 47 22.705 31.968 18.077 386 HA LEU 47 HA LEU 47 20.898 29.775 17.745 387 HB2 LEU 47 HB2 LEU 47 23.496 29.922 19.267 388 HB3 LEU 47 HB3 LEU 47 22.641 28.446 18.822 389 HG LEU 47 HG LEU 47 23.025 29.707 16.399 390 HD11 LEU 47 HD11 LEU 47 25.763 29.767 17.347 391 HD12 LEU 47 HD12 LEU 47 24.761 30.988 18.128 392 HD13 LEU 47 HD13 LEU 47 24.878 30.937 16.369 393 HD21 LEU 47 HD21 LEU 47 25.160 27.978 16.648 394 HD22 LEU 47 HD22 LEU 47 23.526 27.551 16.141 395 HD23 LEU 47 HD23 LEU 47 23.999 27.374 17.832 396 H PHE 48 H PHE 48 20.755 28.209 19.760 397 HA PHE 48 HA PHE 48 19.296 29.706 21.778 398 HB2 PHE 48 HB2 PHE 48 19.412 26.865 20.900 399 HB3 PHE 48 HB3 PHE 48 18.950 27.179 22.569 400 HD1 PHE 48 HD1 PHE 48 18.191 29.093 19.471 401 HD2 PHE 48 HD2 PHE 48 16.681 26.752 22.690 402 HE1 PHE 48 HE1 PHE 48 15.892 29.575 18.740 403 HE2 PHE 48 HE2 PHE 48 14.380 27.229 21.962 404 HZ PHE 48 HZ PHE 48 13.983 28.641 19.985 405 H SER 49 H SER 49 19.779 29.778 23.940 406 HA SER 49 HA SER 49 22.137 28.362 24.915 407 HB2 SER 49 HB2 SER 49 22.375 30.979 24.052 408 HB3 SER 49 HB3 SER 49 22.141 31.152 25.791 409 HG SER 49 HG SER 49 24.374 30.835 24.983 410 H GLN 50 H GLN 50 19.248 28.235 25.399 411 HA GLN 50 HA GLN 50 17.828 27.919 27.147 412 HB2 GLN 50 HB2 GLN 50 20.289 27.183 28.095 413 HB3 GLN 50 HB3 GLN 50 19.801 28.395 29.271 414 HG2 GLN 50 HG2 GLN 50 18.471 26.945 30.271 415 HG3 GLN 50 HG3 GLN 50 17.600 26.657 28.766 416 HE21 GLN 50 HE21 GLN 50 17.327 24.483 29.113 417 HE22 GLN 50 HE22 GLN 50 18.631 23.350 29.064 418 H SER 51 H SER 51 16.485 29.632 27.125 419 HA SER 51 HA SER 51 15.588 31.675 27.594 420 HB2 SER 51 HB2 SER 51 15.862 30.589 29.898 421 HB3 SER 51 HB3 SER 51 17.270 31.633 30.099 422 HG SER 51 HG SER 51 14.564 32.275 30.040 423 H ALA 52 H ALA 52 17.672 31.892 25.854 424 HA ALA 52 HA ALA 52 19.261 34.174 26.801 425 HB1 ALA 52 HB1 ALA 52 20.959 33.293 25.679 426 HB2 ALA 52 HB2 ALA 52 19.936 31.914 25.272 427 HB3 ALA 52 HB3 ALA 52 20.022 33.300 24.185 428 H ILE 53 H ILE 53 16.670 33.303 24.732 429 HA ILE 53 HA ILE 53 16.606 36.050 23.681 430 HB ILE 53 HB ILE 53 15.455 34.959 21.624 431 HG12 ILE 53 HG12 ILE 53 17.284 32.664 22.169 432 HG13 ILE 53 HG13 ILE 53 15.699 32.664 22.934 433 HG21 ILE 53 HG21 ILE 53 17.364 36.075 21.078 434 HG22 ILE 53 HG22 ILE 53 18.344 35.203 22.255 435 HG23 ILE 53 HG23 ILE 53 17.893 34.427 20.738 436 HD11 ILE 53 HD11 ILE 53 14.613 32.309 20.986 437 HD12 ILE 53 HD12 ILE 53 15.788 33.217 20.034 438 HD13 ILE 53 HD13 ILE 53 16.157 31.575 20.558 439 H SER 54 H SER 54 15.157 33.971 25.661 440 HA SER 54 HA SER 54 13.095 33.838 26.616 441 HB2 SER 54 HB2 SER 54 13.269 36.504 25.566 442 HB3 SER 54 HB3 SER 54 11.618 35.914 25.377 443 HG SER 54 HG SER 54 11.704 36.753 27.397 444 H GLN 55 H GLN 55 10.865 33.249 26.176 445 HA GLN 55 HA GLN 55 10.607 32.045 23.521 446 HB2 GLN 55 HB2 GLN 55 9.117 31.529 26.099 447 HB3 GLN 55 HB3 GLN 55 8.776 30.715 24.578 448 HG2 GLN 55 HG2 GLN 55 10.838 29.596 24.589 449 HG3 GLN 55 HG3 GLN 55 11.493 30.646 25.843 450 HE21 GLN 55 HE21 GLN 55 11.972 29.139 27.347 451 HE22 GLN 55 HE22 GLN 55 10.802 28.136 28.125 452 H LYS 56 H LYS 56 9.230 34.474 25.562 453 HA LYS 56 HA LYS 56 6.892 34.772 23.832 454 HB2 LYS 56 HB2 LYS 56 6.219 36.509 25.519 455 HB3 LYS 56 HB3 LYS 56 6.376 34.880 26.162 456 HG2 LYS 56 HG2 LYS 56 8.476 35.406 27.172 457 HG3 LYS 56 HG3 LYS 56 8.523 36.978 26.370 458 HD2 LYS 56 HD2 LYS 56 6.166 37.184 27.650 459 HD3 LYS 56 HD3 LYS 56 7.016 36.104 28.758 460 HE2 LYS 56 HE2 LYS 56 8.938 37.781 28.633 461 HE3 LYS 56 HE3 LYS 56 7.777 38.879 27.890 462 HZ1 LYS 56 HZ1 LYS 56 7.861 37.848 30.638 463 HZ2 LYS 56 HZ2 LYS 56 6.365 38.254 29.965 464 HZ3 LYS 56 HZ3 LYS 56 7.580 39.423 30.090 465 H GLU 57 H GLU 57 9.651 35.411 22.964 466 HA GLU 57 HA GLU 57 9.066 38.042 21.894 467 HB2 GLU 57 HB2 GLU 57 11.626 37.527 23.417 468 HB3 GLU 57 HB3 GLU 57 11.227 38.996 22.537 469 HG2 GLU 57 HG2 GLU 57 9.235 39.215 24.083 470 HG3 GLU 57 HG3 GLU 57 9.978 37.945 25.054 471 H TYR 58 H TYR 58 9.503 35.169 21.054 472 HA TYR 58 HA TYR 58 11.352 35.782 18.861 473 HB2 TYR 58 HB2 TYR 58 12.230 34.241 20.870 474 HB3 TYR 58 HB3 TYR 58 11.410 33.005 19.921 475 HD1 TYR 58 HD1 TYR 58 13.484 35.976 18.992 476 HD2 TYR 58 HD2 TYR 58 12.957 31.762 18.746 477 HE1 TYR 58 HE1 TYR 58 15.442 35.824 17.513 478 HE2 TYR 58 HE2 TYR 58 14.914 31.597 17.267 479 HH TYR 58 HH TYR 58 17.191 33.566 17.002 480 H ASP 59 H ASP 59 8.913 36.107 18.218 481 HA ASP 59 HA ASP 59 7.351 33.816 17.648 482 HB2 ASP 59 HB2 ASP 59 7.155 36.372 16.079 483 HB3 ASP 59 HB3 ASP 59 5.868 35.267 16.557 484 H SER 60 H SER 60 6.579 33.946 15.052 485 HA SER 60 HA SER 60 8.913 32.839 13.700 486 HB2 SER 60 HB2 SER 60 6.136 32.223 13.733 487 HB3 SER 60 HB3 SER 60 6.559 32.684 12.085 488 HG SER 60 HG SER 60 6.940 30.494 12.338 489 H SER 61 H SER 61 6.893 35.628 13.647 490 HA SER 61 HA SER 61 7.161 36.478 11.007 491 HB2 SER 61 HB2 SER 61 7.160 38.838 12.370 492 HB3 SER 61 HB3 SER 61 5.712 37.894 12.024 493 HG SER 61 HG SER 61 6.417 38.589 14.348 494 H LEU 62 H LEU 62 9.431 36.504 13.635 495 HA LEU 62 HA LEU 62 11.286 38.216 12.166 496 HB2 LEU 62 HB2 LEU 62 12.503 38.434 14.136 497 HB3 LEU 62 HB3 LEU 62 10.824 38.402 14.670 498 HG LEU 62 HG LEU 62 11.716 35.741 14.766 499 HD11 LEU 62 HD11 LEU 62 13.977 37.265 14.801 500 HD12 LEU 62 HD12 LEU 62 13.814 35.672 15.540 501 HD13 LEU 62 HD13 LEU 62 13.604 37.124 16.519 502 HD21 LEU 62 HD21 LEU 62 10.949 35.849 16.909 503 HD22 LEU 62 HD22 LEU 62 10.197 37.309 16.264 504 HD23 LEU 62 HD23 LEU 62 11.681 37.426 17.211 505 H ALA 63 H ALA 63 10.668 34.901 12.820 506 HA ALA 63 HA ALA 63 13.341 33.971 12.310 507 HB1 ALA 63 HB1 ALA 63 10.928 32.217 12.124 508 HB2 ALA 63 HB2 ALA 63 12.544 31.839 12.718 509 HB3 ALA 63 HB3 ALA 63 11.459 32.833 13.689 510 H THR 64 H THR 64 14.249 33.570 10.400 511 HA THR 64 HA THR 64 12.509 33.496 8.021 512 HB THR 64 HB THR 64 15.374 34.137 7.647 513 HG1 THR 64 HG1 THR 64 14.665 36.438 8.164 514 HG21 THR 64 HG21 THR 64 14.419 35.746 6.040 515 HG22 THR 64 HG22 THR 64 12.800 35.293 6.571 516 HG23 THR 64 HG23 THR 64 13.829 34.107 5.768 517 H LEU 65 H LEU 65 12.262 31.240 8.065 518 HA LEU 65 HA LEU 65 14.423 29.800 6.819 519 HB2 LEU 65 HB2 LEU 65 13.636 29.338 9.645 520 HB3 LEU 65 HB3 LEU 65 13.989 27.928 8.649 521 HG LEU 65 HG LEU 65 15.867 30.197 9.301 522 HD11 LEU 65 HD11 LEU 65 16.326 27.317 9.931 523 HD12 LEU 65 HD12 LEU 65 15.286 28.283 10.977 524 HD13 LEU 65 HD13 LEU 65 16.965 28.760 10.721 525 HD21 LEU 65 HD21 LEU 65 16.098 27.889 7.398 526 HD22 LEU 65 HD22 LEU 65 17.521 28.633 8.126 527 HD23 LEU 65 HD23 LEU 65 16.441 29.596 7.117 528 H ASP 66 H ASP 66 13.410 28.868 5.179 529 HA ASP 66 HA ASP 66 10.651 27.945 5.523 530 HB2 ASP 66 HB2 ASP 66 12.333 28.540 3.094 531 HB3 ASP 66 HB3 ASP 66 10.800 27.682 2.978 532 H HIS 67 H HIS 67 10.668 25.947 6.390 533 HA HIS 67 HA HIS 67 12.426 23.927 5.171 534 HB2 HIS 67 HB2 HIS 67 11.068 23.936 7.874 535 HB3 HIS 67 HB3 HIS 67 12.043 22.613 7.243 536 HD1 HIS 67 HD1 HIS 67 12.867 23.953 9.849 537 HD2 HIS 67 HD2 HIS 67 14.254 25.142 6.117 538 HE1 HIS 67 HE1 HIS 67 15.040 25.141 10.287 539 H THR 68 H THR 68 11.582 21.909 4.579 540 HA THR 68 HA THR 68 8.730 21.978 3.931 541 HB THR 68 HB THR 68 10.982 20.249 2.902 542 HG1 THR 68 HG1 THR 68 9.321 22.241 1.716 543 HG21 THR 68 HG21 THR 68 9.377 18.695 2.582 544 HG22 THR 68 HG22 THR 68 8.889 19.738 1.247 545 HG23 THR 68 HG23 THR 68 8.069 19.857 2.803 546 H GLU 69 H GLU 69 7.460 21.132 5.455 547 HA GLU 69 HA GLU 69 8.370 19.076 7.245 548 HB2 GLU 69 HB2 GLU 69 5.519 19.986 6.913 549 HB3 GLU 69 HB3 GLU 69 6.286 19.310 8.344 550 HG2 GLU 69 HG2 GLU 69 7.601 21.314 8.632 551 HG3 GLU 69 HG3 GLU 69 6.945 21.988 7.141 552 H ILE 70 H ILE 70 8.551 17.039 6.594 553 HA ILE 70 HA ILE 70 7.099 15.981 4.371 554 HB ILE 70 HB ILE 70 8.889 14.659 6.407 555 HG12 ILE 70 HG12 ILE 70 10.181 14.393 4.090 556 HG13 ILE 70 HG13 ILE 70 9.236 15.823 3.684 557 HG21 ILE 70 HG21 ILE 70 8.868 12.808 4.573 558 HG22 ILE 70 HG22 ILE 70 7.581 12.869 5.776 559 HG23 ILE 70 HG23 ILE 70 7.303 13.506 4.155 560 HD11 ILE 70 HD11 ILE 70 11.468 16.368 4.536 561 HD12 ILE 70 HD12 ILE 70 10.183 17.016 5.556 562 HD13 ILE 70 HD13 ILE 70 11.066 15.574 6.059 563 H LYS 71 H LYS 71 4.910 16.113 4.870 564 HA LYS 71 HA LYS 71 3.936 14.662 7.211 565 HB2 LYS 71 HB2 LYS 71 1.957 15.832 7.005 566 HB3 LYS 71 HB3 LYS 71 3.104 16.994 6.354 567 HG2 LYS 71 HG2 LYS 71 1.454 15.111 4.683 568 HG3 LYS 71 HG3 LYS 71 1.029 16.789 5.026 569 HD2 LYS 71 HD2 LYS 71 3.544 15.870 3.632 570 HD3 LYS 71 HD3 LYS 71 2.117 16.534 2.833 571 HE2 LYS 71 HE2 LYS 71 3.732 17.994 4.917 572 HE3 LYS 71 HE3 LYS 71 3.960 18.178 3.178 573 HZ1 LYS 71 HZ1 LYS 71 1.234 18.506 3.814 574 HZ2 LYS 71 HZ2 LYS 71 2.300 19.620 3.120 575 HZ3 LYS 71 HZ3 LYS 71 2.155 19.524 4.803 576 H ALA 72 H ALA 72 2.753 12.810 7.118 577 HA ALA 72 HA ALA 72 3.076 11.095 4.911 578 HB1 ALA 72 HB1 ALA 72 0.986 10.011 6.335 579 HB2 ALA 72 HB2 ALA 72 2.701 9.724 6.630 580 HB3 ALA 72 HB3 ALA 72 1.847 10.966 7.544 581 HA PRO 73 HA PRO 73 -0.249 12.150 2.237 582 HB2 PRO 73 HB2 PRO 73 -0.693 9.742 1.063 583 HB3 PRO 73 HB3 PRO 73 0.721 10.741 0.703 584 HG2 PRO 73 HG2 PRO 73 0.485 8.379 2.527 585 HG3 PRO 73 HG3 PRO 73 1.771 8.777 1.374 586 HD2 PRO 73 HD2 PRO 73 2.005 9.234 4.032 587 HD3 PRO 73 HD3 PRO 73 2.771 10.274 2.814 588 H PHE 74 H PHE 74 -0.723 9.033 3.913 589 HA PHE 74 HA PHE 74 -3.324 9.911 4.843 590 HB2 PHE 74 HB2 PHE 74 -4.376 7.750 3.979 591 HB3 PHE 74 HB3 PHE 74 -4.067 9.009 2.787 592 HD1 PHE 74 HD1 PHE 74 -3.051 5.715 4.019 593 HD2 PHE 74 HD2 PHE 74 -2.404 8.721 1.075 594 HE1 PHE 74 HE1 PHE 74 -1.755 4.114 2.674 595 HE2 PHE 74 HE2 PHE 74 -1.109 7.124 -0.276 596 HZ PHE 74 HZ PHE 74 -0.783 4.817 0.522 597 H ASP 75 H ASP 75 -4.226 8.506 6.473 598 HA ASP 75 HA ASP 75 -2.390 7.612 8.350 599 HB2 ASP 75 HB2 ASP 75 -4.262 6.660 9.543 600 HB3 ASP 75 HB3 ASP 75 -4.772 8.180 8.813 601 H GLY 76 H GLY 76 -1.844 5.502 9.100 602 HA2 GLY 76 HA2 GLY 76 -2.490 3.051 8.177 603 HA3 GLY 76 HA3 GLY 76 -1.410 3.644 6.923 604 H THR 77 H THR 77 0.071 1.970 7.409 605 HA THR 77 HA THR 77 1.397 2.151 10.023 606 HB THR 77 HB THR 77 1.648 0.022 7.887 607 HG1 THR 77 HG1 THR 77 0.476 -0.283 10.448 608 HG21 THR 77 HG21 THR 77 2.800 -1.259 9.676 609 HG22 THR 77 HG22 THR 77 2.785 0.193 10.679 610 HG23 THR 77 HG23 THR 77 3.691 0.175 9.166 611 H ILE 78 H ILE 78 3.612 2.466 10.209 612 HA ILE 78 HA ILE 78 4.956 3.430 7.769 613 HB ILE 78 HB ILE 78 4.397 5.186 9.508 614 HG12 ILE 78 HG12 ILE 78 7.363 5.088 9.249 615 HG13 ILE 78 HG13 ILE 78 6.414 5.058 7.766 616 HG21 ILE 78 HG21 ILE 78 5.049 3.579 11.401 617 HG22 ILE 78 HG22 ILE 78 6.708 4.066 11.053 618 HG23 ILE 78 HG23 ILE 78 5.521 5.272 11.550 619 HD11 ILE 78 HD11 ILE 78 5.736 7.199 7.997 620 HD12 ILE 78 HD12 ILE 78 5.717 7.123 9.759 621 HD13 ILE 78 HD13 ILE 78 7.247 7.308 8.901 622 H GLY 79 H GLY 79 7.038 2.787 7.378 623 HA2 GLY 79 HA2 GLY 79 7.915 0.402 8.731 624 HA3 GLY 79 HA3 GLY 79 8.716 1.191 7.379 625 H ASP 80 H ASP 80 10.685 0.673 8.573 626 HA ASP 80 HA ASP 80 11.160 2.326 10.941 627 HB2 ASP 80 HB2 ASP 80 11.858 0.043 11.197 628 HB3 ASP 80 HB3 ASP 80 12.750 0.088 9.678 629 H ALA 81 H ALA 81 12.719 3.909 11.035 630 HA ALA 81 HA ALA 81 13.211 5.444 8.776 631 HB1 ALA 81 HB1 ALA 81 14.069 5.446 11.558 632 HB2 ALA 81 HB2 ALA 81 15.282 6.109 10.461 633 HB3 ALA 81 HB3 ALA 81 13.657 6.794 10.497 634 H LEU 82 H LEU 82 14.574 5.264 7.124 635 HA LEU 82 HA LEU 82 16.532 3.128 7.114 636 HB2 LEU 82 HB2 LEU 82 15.406 4.987 5.064 637 HB3 LEU 82 HB3 LEU 82 16.903 4.121 4.731 638 HG LEU 82 HG LEU 82 14.311 2.765 5.459 639 HD11 LEU 82 HD11 LEU 82 14.277 4.105 3.302 640 HD12 LEU 82 HD12 LEU 82 13.890 2.389 3.179 641 HD13 LEU 82 HD13 LEU 82 15.485 2.969 2.702 642 HD21 LEU 82 HD21 LEU 82 15.382 0.763 4.731 643 HD22 LEU 82 HD22 LEU 82 16.458 1.553 5.883 644 HD23 LEU 82 HD23 LEU 82 16.788 1.656 4.153 645 H VAL 83 H VAL 83 16.491 6.661 6.848 646 HA VAL 83 HA VAL 83 19.417 6.657 7.204 647 HB VAL 83 HB VAL 83 19.432 8.905 6.242 648 HG11 VAL 83 HG11 VAL 83 19.210 6.581 4.889 649 HG12 VAL 83 HG12 VAL 83 17.856 7.481 4.202 650 HG13 VAL 83 HG13 VAL 83 19.489 8.144 4.121 651 HG21 VAL 83 HG21 VAL 83 16.976 9.200 5.006 652 HG22 VAL 83 HG22 VAL 83 16.566 8.668 6.637 653 HG23 VAL 83 HG23 VAL 83 17.560 10.107 6.402 654 H ASN 84 H ASN 84 19.982 9.067 8.113 655 HA ASN 84 HA ASN 84 18.391 9.376 10.574 656 HB2 ASN 84 HB2 ASN 84 21.379 9.779 10.323 657 HB3 ASN 84 HB3 ASN 84 20.422 9.857 11.801 658 HD21 ASN 84 HD21 ASN 84 22.188 7.885 9.699 659 HD22 ASN 84 HD22 ASN 84 21.845 6.365 10.446 660 H ILE 85 H ILE 85 19.584 11.600 11.619 661 HA ILE 85 HA ILE 85 18.485 13.666 9.955 662 HB ILE 85 HB ILE 85 20.065 14.110 12.477 663 HG12 ILE 85 HG12 ILE 85 18.389 12.383 12.939 664 HG13 ILE 85 HG13 ILE 85 17.953 13.899 13.720 665 HG21 ILE 85 HG21 ILE 85 18.159 15.676 10.826 666 HG22 ILE 85 HG22 ILE 85 18.137 15.920 12.572 667 HG23 ILE 85 HG23 ILE 85 19.623 16.193 11.663 668 HD11 ILE 85 HD11 ILE 85 16.735 12.648 11.283 669 HD12 ILE 85 HD12 ILE 85 15.966 13.041 12.821 670 HD13 ILE 85 HD13 ILE 85 16.460 14.332 11.727 671 H GLY 86 H GLY 86 19.636 15.614 9.334 672 HA2 GLY 86 HA2 GLY 86 21.400 16.763 8.408 673 HA3 GLY 86 HA3 GLY 86 22.472 15.765 9.379 674 H ASP 87 H ASP 87 20.330 14.010 7.400 675 HA ASP 87 HA ASP 87 22.555 13.243 5.674 676 HB2 ASP 87 HB2 ASP 87 20.333 11.870 6.821 677 HB3 ASP 87 HB3 ASP 87 20.191 11.771 5.067 678 H TYR 88 H TYR 88 22.778 14.057 3.706 679 HA TYR 88 HA TYR 88 21.015 15.912 2.574 680 HB2 TYR 88 HB2 TYR 88 23.406 15.787 2.000 681 HB3 TYR 88 HB3 TYR 88 23.131 14.248 1.191 682 HD1 TYR 88 HD2 TYR 88 22.530 17.877 1.027 683 HD2 TYR 88 HD1 TYR 88 22.170 14.155 -1.005 684 HE1 TYR 88 HE2 TYR 88 22.034 19.073 -1.065 685 HE2 TYR 88 HE1 TYR 88 21.674 15.341 -3.101 686 HH TYR 88 HH TYR 88 22.369 18.233 -3.787 687 H VAL 89 H VAL 89 19.222 15.713 1.401 688 HA VAL 89 HA VAL 89 18.535 13.043 0.357 689 HB VAL 89 HB VAL 89 16.131 13.973 0.468 690 HG11 VAL 89 HG11 VAL 89 17.661 12.458 2.195 691 HG12 VAL 89 HG12 VAL 89 16.911 13.658 3.248 692 HG13 VAL 89 HG13 VAL 89 15.907 12.625 2.230 693 HG21 VAL 89 HG21 VAL 89 16.882 15.595 2.782 694 HG22 VAL 89 HG22 VAL 89 17.401 16.269 1.237 695 HG23 VAL 89 HG23 VAL 89 15.697 15.908 1.514 696 H SER 90 H SER 90 17.160 13.024 -1.573 697 HA SER 90 HA SER 90 17.569 15.383 -3.288 698 HB2 SER 90 HB2 SER 90 18.592 12.701 -3.644 699 HB3 SER 90 HB3 SER 90 17.532 13.143 -4.982 700 HG SER 90 HG SER 90 19.907 14.382 -4.113 701 H ALA 91 H ALA 91 15.464 16.099 -3.032 702 HA ALA 91 HA ALA 91 13.183 16.149 -3.245 703 HB1 ALA 91 HB1 ALA 91 14.235 16.132 -5.630 704 HB2 ALA 91 HB2 ALA 91 13.495 14.535 -5.739 705 HB3 ALA 91 HB3 ALA 91 12.490 15.952 -5.435 706 H SER 92 H SER 92 11.496 14.280 -4.631 707 HA SER 92 HA SER 92 10.899 12.521 -2.498 708 HB2 SER 92 HB2 SER 92 9.610 13.410 -4.839 709 HB3 SER 92 HB3 SER 92 9.703 11.654 -4.977 710 HG SER 92 HG SER 92 7.857 12.123 -3.849 711 H THR 93 H THR 93 13.196 12.326 -4.934 712 HA THR 93 HA THR 93 13.177 9.588 -5.575 713 HB THR 93 HB THR 93 15.592 11.404 -5.451 714 HG1 THR 93 HG1 THR 93 13.941 10.861 -7.703 715 HG21 THR 93 HG21 THR 93 16.709 9.579 -6.084 716 HG22 THR 93 HG22 THR 93 15.782 9.607 -7.584 717 HG23 THR 93 HG23 THR 93 15.217 8.647 -6.217 718 H THR 94 H THR 94 14.434 11.345 -2.833 719 HA THR 94 HA THR 94 15.984 9.122 -1.839 720 HB THR 94 HB THR 94 15.324 11.846 -0.752 721 HG1 THR 94 HG1 THR 94 17.831 10.571 -1.194 722 HG21 THR 94 HG21 THR 94 16.181 9.446 0.739 723 HG22 THR 94 HG22 THR 94 15.366 10.903 1.307 724 HG23 THR 94 HG23 THR 94 17.110 10.912 1.046 725 H GLU 95 H GLU 95 14.763 7.386 -1.308 726 HA GLU 95 HA GLU 95 12.349 7.776 0.297 727 HB2 GLU 95 HB2 GLU 95 12.114 5.263 -0.069 728 HB3 GLU 95 HB3 GLU 95 11.953 6.289 -1.488 729 HG2 GLU 95 HG2 GLU 95 13.933 5.586 -2.396 730 HG3 GLU 95 HG3 GLU 95 14.624 5.155 -0.832 731 H LEU 96 H LEU 96 12.541 7.762 2.428 732 HA LEU 96 HA LEU 96 14.722 6.214 3.651 733 HB2 LEU 96 HB2 LEU 96 13.816 7.734 5.674 734 HB3 LEU 96 HB3 LEU 96 15.096 8.229 4.567 735 HG LEU 96 HG LEU 96 13.456 10.012 4.993 736 HD11 LEU 96 HD11 LEU 96 12.814 9.599 2.218 737 HD12 LEU 96 HD12 LEU 96 14.492 9.171 2.546 738 HD13 LEU 96 HD13 LEU 96 13.897 10.778 2.959 739 HD21 LEU 96 HD21 LEU 96 11.560 8.176 5.076 740 HD22 LEU 96 HD22 LEU 96 11.417 8.585 3.366 741 HD23 LEU 96 HD23 LEU 96 11.214 9.837 4.593 742 H VAL 97 H VAL 97 11.265 6.696 3.599 743 HA VAL 97 HA VAL 97 10.853 4.158 4.902 744 HB VAL 97 HB VAL 97 10.120 6.730 6.268 745 HG11 VAL 97 HG11 VAL 97 8.026 5.774 6.341 746 HG12 VAL 97 HG12 VAL 97 8.660 4.126 6.328 747 HG13 VAL 97 HG13 VAL 97 8.763 5.100 7.795 748 HG21 VAL 97 HG21 VAL 97 11.708 4.306 6.882 749 HG22 VAL 97 HG22 VAL 97 12.002 5.992 7.308 750 HG23 VAL 97 HG23 VAL 97 10.821 5.047 8.215 751 H ARG 98 H ARG 98 8.935 3.235 4.339 752 HA ARG 98 HA ARG 98 7.140 4.866 2.665 753 HB2 ARG 98 HB2 ARG 98 6.646 2.913 1.366 754 HB3 ARG 98 HB3 ARG 98 8.395 3.055 1.480 755 HG2 ARG 98 HG2 ARG 98 8.351 1.381 3.316 756 HG3 ARG 98 HG3 ARG 98 6.624 1.172 3.020 757 HD2 ARG 98 HD2 ARG 98 6.977 0.234 0.914 758 HD3 ARG 98 HD3 ARG 98 8.617 0.871 0.803 759 HE ARG 98 HE ARG 98 7.796 -1.586 2.035 760 HH11 ARG 98 HH11 ARG 98 10.208 0.925 2.014 761 HH12 ARG 98 HH12 ARG 98 11.449 -0.082 2.682 762 HH21 ARG 98 HH21 ARG 98 9.423 -2.922 2.914 763 HH22 ARG 98 HH22 ARG 98 11.002 -2.270 3.192 764 H VAL 99 H VAL 99 4.871 4.327 2.717 765 HA VAL 99 HA VAL 99 4.049 3.341 5.362 766 HB VAL 99 HB VAL 99 2.639 5.167 3.417 767 HG11 VAL 99 HG11 VAL 99 1.557 3.464 5.488 768 HG12 VAL 99 HG12 VAL 99 1.229 5.168 5.811 769 HG13 VAL 99 HG13 VAL 99 0.720 4.445 4.284 770 HG21 VAL 99 HG21 VAL 99 3.629 5.641 6.226 771 HG22 VAL 99 HG22 VAL 99 4.441 6.180 4.757 772 HG23 VAL 99 HG23 VAL 99 2.854 6.826 5.174 773 H THR 100 H THR 100 2.952 1.499 5.530 774 HA THR 100 HA THR 100 1.823 0.324 3.074 775 HB THR 100 HB THR 100 3.705 -0.965 4.035 776 HG1 THR 100 HG1 THR 100 1.413 -2.519 4.522 777 HG21 THR 100 HG21 THR 100 1.887 -1.496 6.381 778 HG22 THR 100 HG22 THR 100 3.201 -0.320 6.417 779 HG23 THR 100 HG23 THR 100 3.553 -2.029 6.163 780 H ASN 101 H ASN 101 0.035 -1.311 3.579 781 HA ASN 101 HA ASN 101 -2.046 -1.774 4.379 782 HB2 ASN 101 HB2 ASN 101 -0.527 -1.259 6.661 783 HB3 ASN 101 HB3 ASN 101 -1.966 -0.264 6.861 784 HD21 ASN 101 HD21 ASN 101 -3.677 -1.199 7.710 785 HD22 ASN 101 HD22 ASN 101 -3.965 -2.899 7.798 786 H LEU 102 H LEU 102 -4.096 -0.625 5.238 787 HA LEU 102 HA LEU 102 -5.676 0.982 4.935 788 HB2 LEU 102 HB2 LEU 102 -3.228 2.448 5.590 789 HB3 LEU 102 HB3 LEU 102 -4.420 3.398 4.704 790 HG LEU 102 HG LEU 102 -4.605 3.700 7.131 791 HD11 LEU 102 HD11 LEU 102 -6.700 4.146 6.542 792 HD12 LEU 102 HD12 LEU 102 -7.104 2.507 7.049 793 HD13 LEU 102 HD13 LEU 102 -6.724 2.837 5.359 794 HD21 LEU 102 HD21 LEU 102 -3.835 1.353 7.660 795 HD22 LEU 102 HD22 LEU 102 -5.472 0.821 7.272 796 HD23 LEU 102 HD23 LEU 102 -5.202 1.947 8.603 797 H ASN 103 H ASN 103 -6.481 2.639 3.380 798 HA ASN 103 HA ASN 103 -5.331 2.142 0.718 799 HB2 ASN 103 HB2 ASN 103 -7.724 2.972 0.025 800 HB3 ASN 103 HB3 ASN 103 -7.489 1.316 0.579 801 HD21 ASN 103 HD21 ASN 103 -8.193 0.731 2.643 802 HD22 ASN 103 HD22 ASN 103 -9.349 1.678 3.510 803 HA PRO 104 HA PRO 104 -4.364 6.395 0.208 804 HB2 PRO 104 HB2 PRO 104 -4.693 6.668 -2.474 805 HB3 PRO 104 HB3 PRO 104 -3.335 5.794 -1.756 806 HG2 PRO 104 HG2 PRO 104 -5.879 4.721 -2.914 807 HG3 PRO 104 HG3 PRO 104 -4.221 4.125 -3.112 808 HD2 PRO 104 HD2 PRO 104 -5.982 2.988 -1.398 809 HD3 PRO 104 HD3 PRO 104 -4.235 3.035 -1.082 810 H ILE 105 H ILE 105 -5.697 7.917 0.970 811 HA ILE 105 HA ILE 105 -8.350 8.229 -0.258 812 HB ILE 105 HB ILE 105 -7.486 9.546 2.300 813 HG12 ILE 105 HG12 ILE 105 -8.954 7.446 3.173 814 HG13 ILE 105 HG13 ILE 105 -8.141 6.701 1.800 815 HG21 ILE 105 HG21 ILE 105 -10.037 9.062 0.858 816 HG22 ILE 105 HG22 ILE 105 -10.071 9.084 2.621 817 HG23 ILE 105 HG23 ILE 105 -9.484 10.490 1.733 818 HD11 ILE 105 HD11 ILE 105 -6.976 6.420 3.976 819 HD12 ILE 105 HD12 ILE 105 -5.998 7.184 2.723 820 HD13 ILE 105 HD13 ILE 105 -6.713 8.163 4.004 821 H TYR 106 H TYR 106 -9.154 10.404 -0.609 822 HA TYR 106 HA TYR 106 -7.153 12.516 -0.792 823 HB2 TYR 106 HB2 TYR 106 -8.824 11.816 -3.204 824 HB3 TYR 106 HB3 TYR 106 -7.479 12.948 -3.110 825 HD1 TYR 106 HD1 TYR 106 -8.367 9.355 -3.020 826 HD2 TYR 106 HD2 TYR 106 -5.248 12.220 -3.428 827 HE1 TYR 106 HE1 TYR 106 -6.826 7.569 -3.720 828 HE2 TYR 106 HE2 TYR 106 -3.700 10.443 -4.131 829 HH TYR 106 HH TYR 106 -4.559 7.583 -5.229 830 H ALA 107 H ALA 107 -10.515 11.532 -1.279 831 HA ALA 107 HA ALA 107 -11.758 13.977 -1.489 832 HB1 ALA 107 HB1 ALA 107 -12.788 11.591 0.041 833 HB2 ALA 107 HB2 ALA 107 -13.756 12.912 -0.613 834 HB3 ALA 107 HB3 ALA 107 -12.907 11.817 -1.703 835 H ASP 108 H ASP 108 -13.062 15.137 0.159 836 HA ASP 108 HA ASP 108 -11.403 15.711 2.469 837 HB2 ASP 108 HB2 ASP 108 -12.285 17.582 1.171 838 HB3 ASP 108 HB3 ASP 108 -13.932 17.031 1.462 839 H GLY 109 H GLY 109 -12.246 15.828 4.633 840 HA2 GLY 109 HA2 GLY 109 -14.724 14.353 5.138 841 HA3 GLY 109 HA3 GLY 109 -13.237 13.691 5.801 842 H SER 110 H SER 110 -15.222 14.281 7.525 843 HA SER 110 HA SER 110 -15.257 16.895 8.551 844 HB2 SER 110 HB2 SER 110 -16.486 14.447 9.169 845 HB3 SER 110 HB3 SER 110 -15.628 14.922 10.634 846 HG SER 110 HG SER 110 -17.193 16.799 9.244 847 H HIS 111 H HIS 111 -13.373 14.049 9.546 848 HA HIS 111 HA HIS 111 -11.419 13.840 10.692 849 HB2 HIS 111 HB2 HIS 111 -11.057 16.012 9.010 850 HB3 HIS 111 HB3 HIS 111 -10.567 16.629 10.586 851 HD1 HIS 111 HD1 HIS 111 -9.873 13.511 8.506 852 HD2 HIS 111 HD2 HIS 111 -7.962 16.147 11.087 853 HE1 HIS 111 HE1 HIS 111 -7.478 12.751 8.589 854 H HIS 112 H HIS 112 -10.262 14.544 12.678 855 HA HIS 112 HA HIS 112 -12.162 15.792 14.548 856 HB2 HIS 112 HB2 HIS 112 -9.919 13.831 15.074 857 HB3 HIS 112 HB3 HIS 112 -10.931 14.557 16.319 858 HD1 HIS 112 HD1 HIS 112 -10.845 11.512 15.976 859 HD2 HIS 112 HD2 HIS 112 -13.646 13.975 14.147 860 HE1 HIS 112 HE1 HIS 112 -12.815 10.032 15.473 861 H HIS 113 H HIS 113 -11.363 17.216 16.166 862 HA HIS 113 HA HIS 113 -8.712 18.363 15.609 863 HB2 HIS 113 HB2 HIS 113 -9.584 20.605 15.870 864 HB3 HIS 113 HB3 HIS 113 -10.509 19.775 14.622 865 HD1 HIS 113 HD1 HIS 113 -10.943 21.785 17.561 866 HD2 HIS 113 HD2 HIS 113 -13.061 18.703 15.751 867 HE1 HIS 113 HE1 HIS 113 -13.268 21.921 18.508 868 H HIS 114 H HIS 114 -7.945 19.781 17.431 869 HA HIS 114 HA HIS 114 -9.073 19.460 20.027 870 HB2 HIS 114 HB2 HIS 114 -7.723 17.237 19.260 871 HB3 HIS 114 HB3 HIS 114 -6.415 18.167 19.985 872 HD1 HIS 114 HD1 HIS 114 -9.870 16.882 20.897 873 HD2 HIS 114 HD2 HIS 114 -6.289 17.985 22.693 874 HE1 HIS 114 HE1 HIS 114 -10.134 16.308 23.331 875 H HIS 115 H HIS 115 -7.401 20.200 21.744 876 HA HIS 115 HA HIS 115 -5.219 21.812 20.897 877 HB2 HIS 115 HB2 HIS 115 -7.264 23.171 20.195 878 HB3 HIS 115 HB3 HIS 115 -7.584 23.384 21.913 879 HD1 HIS 115 HD1 HIS 115 -6.137 25.052 23.182 880 HD2 HIS 115 HD2 HIS 115 -4.960 24.520 19.234 881 HE1 HIS 115 HE1 HIS 115 -4.468 26.877 22.726 882 H HIS 116 H HIS 116 -7.733 21.807 23.430 883 HA HIS 116 HA HIS 116 -7.601 21.762 25.702 884 HB2 HIS 116 HB2 HIS 116 -6.325 19.581 24.872 885 HB3 HIS 116 HB3 HIS 116 -4.951 20.397 25.610 886 HD1 HIS 116 HD1 HIS 116 -8.554 19.846 26.738 887 HD2 HIS 116 HD2 HIS 116 -4.653 19.439 28.108 888 HE1 HIS 116 HE1 HIS 116 -8.755 18.986 29.092 889 H2 B6D 117 H2 B6D 117 21.091 29.983 10.129 890 H1 B6D 117 H1 B6D 117 18.070 29.931 9.537 891 H3 B6D 117 H3 B6D 117 18.910 28.039 11.034 892 HN2 B6D 117 HN2 B6D 117 19.467 28.209 8.394 893 H5 B6D 117 H5 B6D 117 17.611 30.096 12.066 894 H8 B6D 117 H22 B6D 117 20.559 26.939 6.735 895 H8A B6D 117 H21 B6D 117 22.337 26.963 6.656 896 H8B B6D 117 H23 B6D 117 21.394 28.322 5.987 897 H4 B6D 117 H4 B6D 117 20.625 30.032 12.592 898 HN4 B6D 117 HN4 B6D 117 20.081 28.662 14.310 899 H9 B6D 117 H43 B6D 117 16.911 27.569 15.552 900 H9A B6D 117 H41 B6D 117 18.232 26.429 15.187 901 H9B B6D 117 H42 B6D 117 18.598 27.989 15.965 902 H6 B6D 117 H62 B6D 117 17.519 31.616 13.751 903 H6A B6D 117 H63 B6D 117 19.269 31.493 14.014 904 H6B B6D 117 H61 B6D 117 18.631 32.648 12.833 905 H1 A2G 118 H1 A2G 118 19.570 26.290 12.343 906 H2 A2G 118 H2 A2G 118 21.319 24.633 12.983 907 H3 A2G 118 H3 A2G 118 23.207 26.689 11.729 908 H4 A2G 118 H4 A2G 118 23.810 24.896 10.208 909 H5 A2G 118 H5 A2G 118 22.009 26.212 9.528 910 H61 A2G 118 H61 A2G 118 21.702 23.379 8.721 911 H62 A2G 118 H62 A2G 118 22.055 24.828 7.769 912 H81 A2G 118 H81 A2G 118 20.051 26.923 16.902 913 H82 A2G 118 H82 A2G 118 21.285 27.909 16.076 914 H83 A2G 118 H83 A2G 118 21.786 26.516 17.068 915 HO3 A2G 118 HO3 A2G 118 24.556 24.594 12.445 916 HO6 A2G 118 HO6 A2G 118 19.763 23.695 7.851 917 HN2 A2G 118 HN2 A2G 118 22.245 27.180 14.098 918 H1 A2G 119 H1 A2G 119 23.542 22.687 9.317 919 H2 A2G 119 H2 A2G 119 23.263 20.273 9.874 920 H3 A2G 119 H3 A2G 119 21.961 21.383 12.410 921 H4 A2G 119 H4 A2G 119 23.717 20.186 13.582 922 H5 A2G 119 H5 A2G 119 24.249 22.370 12.962 923 H61 A2G 119 H61 A2G 119 26.836 21.020 12.224 924 H62 A2G 119 H62 A2G 119 26.189 21.060 13.871 925 H81 A2G 119 H81 A2G 119 19.434 19.721 7.317 926 H82 A2G 119 H82 A2G 119 19.598 21.446 7.736 927 H83 A2G 119 H83 A2G 119 18.731 20.348 8.839 928 HO3 A2G 119 HO3 A2G 119 22.092 18.789 12.542 929 HO6 A2G 119 HO6 A2G 119 27.666 22.861 13.121 930 HN2 A2G 119 HN2 A2G 119 20.874 21.986 9.785 931 H1 A2G 120 H1 A2G 120 25.531 18.762 13.722 932 H2 A2G 120 H2 A2G 120 26.850 16.879 12.757 933 H3 A2G 120 H3 A2G 120 25.444 17.702 10.168 934 H4 A2G 120 H4 A2G 120 24.550 15.446 10.184 935 H5 A2G 120 H5 A2G 120 23.270 17.030 11.320 936 H61 A2G 120 H61 A2G 120 23.122 14.714 13.247 937 H62 A2G 120 H62 A2G 120 22.435 14.713 11.616 938 H81 A2G 120 H81 A2G 120 30.296 19.924 13.036 939 H82 A2G 120 H82 A2G 120 29.049 21.131 12.629 940 H83 A2G 120 H83 A2G 120 29.606 19.983 11.385 941 HO6 A2G 120 HO6 A2G 120 21.510 15.967 13.879 942 HN2 A2G 120 HN2 A2G 120 27.589 18.972 10.934 943 H1 A2G 121 H1 A2G 121 24.156 13.327 11.271 944 H2 A2G 121 H2 A2G 121 25.214 11.432 12.499 945 H3 A2G 121 H3 A2G 121 27.224 13.580 13.342 946 H4 A2G 121 H4 A2G 121 28.868 12.174 12.242 947 H5 A2G 121 H5 A2G 121 27.835 13.753 10.871 948 H61 A2G 121 H61 A2G 121 29.136 11.752 9.650 949 H62 A2G 121 H62 A2G 121 28.517 13.193 8.830 950 H81 A2G 121 H81 A2G 121 23.123 13.332 15.924 951 H82 A2G 121 H82 A2G 121 21.857 12.110 15.644 952 H83 A2G 121 H83 A2G 121 21.784 13.671 14.787 953 HO3 A2G 121 HO3 A2G 121 27.371 12.445 15.077 954 HO6 A2G 121 HO6 A2G 121 26.855 10.918 9.142 955 HN2 A2G 121 HN2 A2G 121 24.923 13.491 14.544 956 H1 A2G 122 H1 A2G 122 29.562 10.154 11.161 957 H2 A2G 122 H2 A2G 122 29.235 7.683 11.112 958 H3 A2G 122 H3 A2G 122 26.382 8.411 11.941 959 H4 A2G 122 H4 A2G 122 26.840 7.076 13.916 960 H5 A2G 122 H5 A2G 122 27.409 9.331 14.089 961 H61 A2G 122 H61 A2G 122 28.086 8.194 16.106 962 H62 A2G 122 H62 A2G 122 29.160 9.557 15.759 963 H81 A2G 122 H81 A2G 122 27.409 9.131 7.298 964 H82 A2G 122 H82 A2G 122 28.470 7.857 6.643 965 H83 A2G 122 H83 A2G 122 29.062 9.535 6.740 966 HO3 A2G 122 HO3 A2G 122 26.663 5.825 11.897 967 HO6 A2G 122 HO6 A2G 122 29.700 6.800 15.259 968 HN2 A2G 122 HN2 A2G 122 27.061 8.684 9.449 969 H2 BGC 123 H2 BGC 123 28.964 15.941 8.408 970 H3 BGC 123 H3 BGC 123 27.597 16.537 5.755 971 H4 BGC 123 H4 BGC 123 28.101 13.693 6.780 972 H5 BGC 123 H5 BGC 123 25.443 15.204 6.551 973 H6C1 BGC 123 H61 BGC 123 25.334 12.687 8.037 974 H6C2 BGC 123 H62 BGC 123 24.332 13.217 6.672 975 H1 BGC 123 H1 BGC 123 26.070 16.923 8.234 976 HB BGC 123 HO2 BGC 123 27.676 18.250 7.335 977 HC BGC 123 HO3 BGC 123 29.503 15.344 5.080 978 HD BGC 123 HO4 BGC 123 26.927 14.910 4.474 979 H6 BGC 123 HO6 BGC 123 26.774 11.776 6.661 Start of MODEL 9 1 H1 ASP 1 H ASP 1 5.163 -2.010 -0.021 2 HA ASP 1 HA ASP 1 4.169 -1.162 -1.962 3 HB2 ASP 1 HB2 ASP 1 2.386 -1.379 0.347 4 HB3 ASP 1 HB3 ASP 1 1.758 -0.318 -0.911 5 H VAL 2 H VAL 2 3.479 1.113 0.700 6 HA VAL 2 HA VAL 2 3.660 3.318 -1.236 7 HB VAL 2 HB VAL 2 2.527 3.426 1.560 8 HG11 VAL 2 HG11 VAL 2 2.418 5.618 1.239 9 HG12 VAL 2 HG12 VAL 2 3.214 5.429 -0.325 10 HG13 VAL 2 HG13 VAL 2 1.454 5.370 -0.216 11 HG21 VAL 2 HG21 VAL 2 0.980 2.054 0.584 12 HG22 VAL 2 HG22 VAL 2 0.341 3.622 0.093 13 HG23 VAL 2 HG23 VAL 2 1.296 2.665 -1.039 14 H ILE 3 H ILE 3 5.103 4.961 -0.980 15 HA ILE 3 HA ILE 3 6.981 4.733 1.282 16 HB ILE 3 HB ILE 3 7.664 5.726 -1.485 17 HG12 ILE 3 HG12 ILE 3 8.144 3.036 -0.190 18 HG13 ILE 3 HG13 ILE 3 7.189 3.364 -1.633 19 HG21 ILE 3 HG21 ILE 3 9.418 5.034 0.867 20 HG22 ILE 3 HG22 ILE 3 9.967 5.595 -0.711 21 HG23 ILE 3 HG23 ILE 3 9.022 6.664 0.326 22 HD11 ILE 3 HD11 ILE 3 10.168 3.499 -1.312 23 HD12 ILE 3 HD12 ILE 3 9.224 2.457 -2.377 24 HD13 ILE 3 HD13 ILE 3 9.322 4.189 -2.697 25 H ILE 4 H ILE 4 7.731 6.628 2.224 26 HA ILE 4 HA ILE 4 6.200 9.045 1.524 27 HB ILE 4 HB ILE 4 7.312 8.124 4.169 28 HG12 ILE 4 HG12 ILE 4 4.521 8.840 3.241 29 HG13 ILE 4 HG13 ILE 4 5.125 7.214 3.543 30 HG21 ILE 4 HG21 ILE 4 7.833 10.453 4.031 31 HG22 ILE 4 HG22 ILE 4 6.227 10.830 3.410 32 HG23 ILE 4 HG23 ILE 4 6.421 10.275 5.072 33 HD11 ILE 4 HD11 ILE 4 4.496 9.379 5.505 34 HD12 ILE 4 HD12 ILE 4 3.901 7.720 5.444 35 HD13 ILE 4 HD13 ILE 4 5.566 8.043 5.928 36 H LYS 5 H LYS 5 7.338 10.561 0.532 37 HA LYS 5 HA LYS 5 10.133 10.989 1.341 38 HB2 LYS 5 HB2 LYS 5 10.208 11.751 -1.257 39 HB3 LYS 5 HB3 LYS 5 10.687 10.158 -0.687 40 HG2 LYS 5 HG2 LYS 5 7.836 10.606 -1.394 41 HG3 LYS 5 HG3 LYS 5 9.019 10.455 -2.695 42 HD2 LYS 5 HD2 LYS 5 8.670 8.458 -0.461 43 HD3 LYS 5 HD3 LYS 5 7.943 8.302 -2.062 44 HE2 LYS 5 HE2 LYS 5 10.746 8.851 -2.313 45 HE3 LYS 5 HE3 LYS 5 10.503 7.479 -1.235 46 HZ1 LYS 5 HZ1 LYS 5 8.864 6.762 -3.132 47 HZ2 LYS 5 HZ2 LYS 5 10.519 6.427 -3.236 48 HZ3 LYS 5 HZ3 LYS 5 9.867 7.740 -4.079 49 HA PRO 6 HA PRO 6 9.214 15.268 1.640 50 HB2 PRO 6 HB2 PRO 6 11.438 16.441 0.616 51 HB3 PRO 6 HB3 PRO 6 11.419 15.619 2.181 52 HG2 PRO 6 HG2 PRO 6 12.367 14.615 -0.475 53 HG3 PRO 6 HG3 PRO 6 13.118 14.436 1.122 54 HD2 PRO 6 HD2 PRO 6 11.679 12.458 -0.041 55 HD3 PRO 6 HD3 PRO 6 11.731 12.693 1.717 56 H GLN 7 H GLN 7 8.901 17.292 0.438 57 HA GLN 7 HA GLN 7 8.125 16.736 -2.334 58 HB2 GLN 7 HB2 GLN 7 6.393 17.576 -0.757 59 HB3 GLN 7 HB3 GLN 7 7.328 19.054 -0.566 60 HG2 GLN 7 HG2 GLN 7 6.777 19.840 -2.633 61 HG3 GLN 7 HG3 GLN 7 6.567 18.226 -3.311 62 HE21 GLN 7 HE21 GLN 7 5.147 19.730 -0.442 63 HE22 GLN 7 HE22 GLN 7 3.504 19.553 -0.946 64 H VAL 8 H VAL 8 10.725 17.907 -0.799 65 HA VAL 8 HA VAL 8 11.518 19.503 -3.104 66 HB VAL 8 HB VAL 8 12.506 21.255 -1.559 67 HG11 VAL 8 HG11 VAL 8 9.559 21.416 -1.283 68 HG12 VAL 8 HG12 VAL 8 10.708 22.601 -1.908 69 HG13 VAL 8 HG13 VAL 8 10.212 21.237 -2.912 70 HG21 VAL 8 HG21 VAL 8 10.724 19.807 0.375 71 HG22 VAL 8 HG22 VAL 8 12.414 20.273 0.567 72 HG23 VAL 8 HG23 VAL 8 11.151 21.504 0.596 73 H SER 9 H SER 9 13.883 20.087 -2.964 74 HA SER 9 HA SER 9 15.339 17.760 -1.962 75 HB2 SER 9 HB2 SER 9 17.041 18.290 -3.519 76 HB3 SER 9 HB3 SER 9 15.532 18.622 -4.369 77 HG SER 9 HG SER 9 15.954 20.708 -4.338 78 H GLY 10 H GLY 10 16.291 17.881 -0.047 79 HA2 GLY 10 HA2 GLY 10 17.883 20.201 0.647 80 HA3 GLY 10 HA3 GLY 10 16.485 19.940 1.679 81 H VAL 11 H VAL 11 17.374 19.298 3.555 82 HA VAL 11 HA VAL 11 18.789 16.743 3.548 83 HB VAL 11 HB VAL 11 20.642 18.240 3.587 84 HG11 VAL 11 HG11 VAL 11 20.858 20.110 5.079 85 HG12 VAL 11 HG12 VAL 11 19.330 20.259 4.208 86 HG13 VAL 11 HG13 VAL 11 19.343 19.701 5.881 87 HG21 VAL 11 HG21 VAL 11 20.230 16.389 5.497 88 HG22 VAL 11 HG22 VAL 11 21.723 17.315 5.343 89 HG23 VAL 11 HG23 VAL 11 20.490 17.815 6.501 90 H ILE 12 H ILE 12 18.348 15.479 5.292 91 HA ILE 12 HA ILE 12 16.052 15.862 6.775 92 HB ILE 12 HB ILE 12 18.446 14.220 7.606 93 HG12 ILE 12 HG12 ILE 12 17.645 13.673 5.337 94 HG13 ILE 12 HG13 ILE 12 17.339 12.361 6.471 95 HG21 ILE 12 HG21 ILE 12 16.903 14.530 9.438 96 HG22 ILE 12 HG22 ILE 12 15.546 14.065 8.412 97 HG23 ILE 12 HG23 ILE 12 16.779 12.877 8.836 98 HD11 ILE 12 HD11 ILE 12 15.516 13.625 4.763 99 HD12 ILE 12 HD12 ILE 12 15.184 12.403 5.991 100 HD13 ILE 12 HD13 ILE 12 15.083 14.116 6.401 101 H VAL 13 H VAL 13 15.528 16.882 8.618 102 HA VAL 13 HA VAL 13 17.704 18.197 10.113 103 HB VAL 13 HB VAL 13 14.901 19.240 10.170 104 HG11 VAL 13 HG11 VAL 13 15.837 20.894 11.321 105 HG12 VAL 13 HG12 VAL 13 17.350 19.985 11.304 106 HG13 VAL 13 HG13 VAL 13 17.022 21.177 10.046 107 HG21 VAL 13 HG21 VAL 13 15.750 20.821 8.294 108 HG22 VAL 13 HG22 VAL 13 16.857 19.500 7.920 109 HG23 VAL 13 HG23 VAL 13 15.113 19.233 7.863 110 H ASN 14 H ASN 14 14.553 16.615 10.349 111 HA ASN 14 HA ASN 14 15.243 15.636 12.987 112 HB2 ASN 14 HB2 ASN 14 13.991 17.952 13.097 113 HB3 ASN 14 HB3 ASN 14 12.570 16.963 12.774 114 HD21 ASN 14 HD21 ASN 14 11.738 15.710 14.360 115 HD22 ASN 14 HD22 ASN 14 12.347 15.666 15.975 116 H LYS 15 H LYS 15 13.276 14.280 13.837 117 HA LYS 15 HA LYS 15 11.798 13.016 11.662 118 HB2 LYS 15 HB2 LYS 15 12.498 10.746 12.490 119 HB3 LYS 15 HB3 LYS 15 13.762 11.662 11.678 120 HG2 LYS 15 HG2 LYS 15 14.446 12.400 14.048 121 HG3 LYS 15 HG3 LYS 15 13.459 11.040 14.589 122 HD2 LYS 15 HD2 LYS 15 15.620 10.741 12.518 123 HD3 LYS 15 HD3 LYS 15 15.943 10.596 14.248 124 HE2 LYS 15 HE2 LYS 15 13.914 8.921 14.141 125 HE3 LYS 15 HE3 LYS 15 14.375 8.815 12.443 126 HZ1 LYS 15 HZ1 LYS 15 15.671 7.183 13.322 127 HZ2 LYS 15 HZ2 LYS 15 15.835 7.941 14.825 128 HZ3 LYS 15 HZ3 LYS 15 16.737 8.484 13.502 129 H LEU 16 H LEU 16 9.860 13.648 12.524 130 HA LEU 16 HA LEU 16 9.268 12.937 15.300 131 HB2 LEU 16 HB2 LEU 16 7.471 14.422 13.405 132 HB3 LEU 16 HB3 LEU 16 7.407 14.386 15.166 133 HG LEU 16 HG LEU 16 9.765 15.529 14.955 134 HD11 LEU 16 HD11 LEU 16 10.393 16.121 12.916 135 HD12 LEU 16 HD12 LEU 16 8.933 17.096 12.746 136 HD13 LEU 16 HD13 LEU 16 8.928 15.405 12.243 137 HD21 LEU 16 HD21 LEU 16 7.079 16.832 14.592 138 HD22 LEU 16 HD22 LEU 16 8.561 17.753 14.855 139 HD23 LEU 16 HD23 LEU 16 7.998 16.616 16.082 140 H PHE 17 H PHE 17 9.512 10.667 14.037 141 HA PHE 17 HA PHE 17 6.750 9.744 13.690 142 HB2 PHE 17 HB2 PHE 17 7.119 8.687 11.680 143 HB3 PHE 17 HB3 PHE 17 8.180 10.080 11.490 144 HD1 PHE 17 HD2 PHE 17 10.643 9.737 12.264 145 HD2 PHE 17 HD1 PHE 17 7.956 6.571 11.332 146 HE1 PHE 17 HE2 PHE 17 12.553 8.232 11.886 147 HE2 PHE 17 HE1 PHE 17 9.861 5.060 10.955 148 HZ PHE 17 HZ PHE 17 12.163 5.891 11.230 149 H LYS 18 H LYS 18 6.792 7.214 13.603 150 HA LYS 18 HA LYS 18 8.738 6.222 15.576 151 HB2 LYS 18 HB2 LYS 18 5.749 6.039 15.606 152 HB3 LYS 18 HB3 LYS 18 6.700 4.746 16.325 153 HG2 LYS 18 HG2 LYS 18 7.403 7.502 17.123 154 HG3 LYS 18 HG3 LYS 18 5.853 6.877 17.691 155 HD2 LYS 18 HD2 LYS 18 8.033 4.961 17.977 156 HD3 LYS 18 HD3 LYS 18 8.302 6.454 18.879 157 HE2 LYS 18 HE2 LYS 18 6.521 6.098 20.263 158 HE3 LYS 18 HE3 LYS 18 5.616 5.199 19.047 159 HZ1 LYS 18 HZ1 LYS 18 7.505 3.469 19.399 160 HZ2 LYS 18 HZ2 LYS 18 6.212 3.543 20.488 161 HZ3 LYS 18 HZ3 LYS 18 7.697 4.249 20.888 162 H ALA 19 H ALA 19 8.995 3.872 15.575 163 HA ALA 19 HA ALA 19 8.940 2.844 12.856 164 HB1 ALA 19 HB1 ALA 19 10.746 2.630 14.939 165 HB2 ALA 19 HB2 ALA 19 10.003 1.033 14.856 166 HB3 ALA 19 HB3 ALA 19 10.775 1.720 13.427 167 H GLY 20 H GLY 20 7.171 1.820 12.186 168 HA2 GLY 20 HA2 GLY 20 5.651 0.054 12.115 169 HA3 GLY 20 HA3 GLY 20 6.115 -0.378 13.755 170 H ASP 21 H ASP 21 5.270 2.904 13.106 171 HA ASP 21 HA ASP 21 2.816 2.539 14.671 172 HB2 ASP 21 HB2 ASP 21 4.896 4.470 14.744 173 HB3 ASP 21 HB3 ASP 21 3.431 5.300 14.227 174 H LYS 22 H LYS 22 0.985 4.025 14.099 175 HA LYS 22 HA LYS 22 0.505 3.840 11.228 176 HB2 LYS 22 HB2 LYS 22 -1.345 4.463 13.536 177 HB3 LYS 22 HB3 LYS 22 -1.850 4.380 11.853 178 HG2 LYS 22 HG2 LYS 22 -1.622 2.095 11.754 179 HG3 LYS 22 HG3 LYS 22 -0.455 2.047 13.077 180 HD2 LYS 22 HD2 LYS 22 -2.498 2.947 14.472 181 HD3 LYS 22 HD3 LYS 22 -3.430 2.210 13.167 182 HE2 LYS 22 HE2 LYS 22 -1.518 0.304 13.823 183 HE3 LYS 22 HE3 LYS 22 -2.028 0.966 15.374 184 HZ1 LYS 22 HZ1 LYS 22 -4.154 0.220 15.100 185 HZ2 LYS 22 HZ2 LYS 22 -3.317 -0.999 14.279 186 HZ3 LYS 22 HZ3 LYS 22 -4.080 0.236 13.409 187 H VAL 23 H VAL 23 0.149 5.555 9.899 188 HA VAL 23 HA VAL 23 0.723 8.207 11.023 189 HB VAL 23 HB VAL 23 1.196 8.883 8.684 190 HG11 VAL 23 HG11 VAL 23 2.999 8.150 10.162 191 HG12 VAL 23 HG12 VAL 23 2.757 6.483 9.636 192 HG13 VAL 23 HG13 VAL 23 3.320 7.698 8.488 193 HG21 VAL 23 HG21 VAL 23 -0.216 7.301 7.514 194 HG22 VAL 23 HG22 VAL 23 1.454 7.122 6.976 195 HG23 VAL 23 HG23 VAL 23 0.761 5.955 8.101 196 H LYS 24 H LYS 24 -0.332 10.027 9.645 197 HA LYS 24 HA LYS 24 -3.140 9.343 9.091 198 HB2 LYS 24 HB2 LYS 24 -2.033 11.430 10.918 199 HB3 LYS 24 HB3 LYS 24 -3.517 11.783 10.042 200 HG2 LYS 24 HG2 LYS 24 -3.957 9.262 11.076 201 HG3 LYS 24 HG3 LYS 24 -3.080 10.100 12.359 202 HD2 LYS 24 HD2 LYS 24 -5.420 10.470 12.699 203 HD3 LYS 24 HD3 LYS 24 -4.707 11.983 12.135 204 HE2 LYS 24 HE2 LYS 24 -5.405 11.017 9.777 205 HE3 LYS 24 HE3 LYS 24 -6.568 10.118 10.752 206 HZ1 LYS 24 HZ1 LYS 24 -7.319 12.339 9.859 207 HZ2 LYS 24 HZ2 LYS 24 -6.264 13.054 10.969 208 HZ3 LYS 24 HZ3 LYS 24 -7.542 12.091 11.518 209 H LYS 25 H LYS 25 -4.203 11.497 8.122 210 HA LYS 25 HA LYS 25 -2.771 11.962 5.666 211 HB2 LYS 25 HB2 LYS 25 -5.493 12.602 6.712 212 HB3 LYS 25 HB3 LYS 25 -4.880 13.536 5.353 213 HG2 LYS 25 HG2 LYS 25 -4.591 11.523 4.050 214 HG3 LYS 25 HG3 LYS 25 -5.088 10.532 5.424 215 HD2 LYS 25 HD2 LYS 25 -7.305 11.438 5.356 216 HD3 LYS 25 HD3 LYS 25 -6.835 12.632 4.144 217 HE2 LYS 25 HE2 LYS 25 -7.128 11.182 2.472 218 HE3 LYS 25 HE3 LYS 25 -6.228 9.919 3.310 219 HZ1 LYS 25 HZ1 LYS 25 -8.114 9.089 4.276 220 HZ2 LYS 25 HZ2 LYS 25 -8.742 9.615 2.796 221 HZ3 LYS 25 HZ3 LYS 25 -8.959 10.553 4.188 222 H GLY 26 H GLY 26 -0.964 13.187 6.206 223 HA2 GLY 26 HA2 GLY 26 -0.116 15.412 5.992 224 HA3 GLY 26 HA3 GLY 26 -1.564 16.004 6.795 225 H GLN 27 H GLN 27 -0.206 13.236 8.234 226 HA GLN 27 HA GLN 27 0.487 14.731 10.592 227 HB2 GLN 27 HB2 GLN 27 -0.426 12.191 10.162 228 HB3 GLN 27 HB3 GLN 27 1.278 11.901 10.481 229 HG2 GLN 27 HG2 GLN 27 0.729 13.579 12.496 230 HG3 GLN 27 HG3 GLN 27 -0.859 12.844 12.280 231 HE21 GLN 27 HE21 GLN 27 2.487 11.665 12.125 232 HE22 GLN 27 HE22 GLN 27 2.253 10.347 13.217 233 H THR 28 H THR 28 2.439 15.413 11.200 234 HA THR 28 HA THR 28 4.640 15.353 9.450 235 HB THR 28 HB THR 28 5.453 15.803 12.193 236 HG1 THR 28 HG1 THR 28 3.609 16.618 12.862 237 HG21 THR 28 HG21 THR 28 6.434 16.689 10.015 238 HG22 THR 28 HG22 THR 28 6.257 17.849 11.331 239 HG23 THR 28 HG23 THR 28 5.096 17.837 10.004 240 H LEU 29 H LEU 29 6.468 14.125 9.372 241 HA LEU 29 HA LEU 29 6.787 11.979 11.346 242 HB2 LEU 29 HB2 LEU 29 7.006 11.564 8.369 243 HB3 LEU 29 HB3 LEU 29 7.208 10.343 9.625 244 HG LEU 29 HG LEU 29 4.602 11.784 9.211 245 HD11 LEU 29 HD11 LEU 29 5.771 9.502 7.695 246 HD12 LEU 29 HD12 LEU 29 4.759 10.832 7.131 247 HD13 LEU 29 HD13 LEU 29 4.043 9.507 8.049 248 HD21 LEU 29 HD21 LEU 29 3.669 10.072 10.501 249 HD22 LEU 29 HD22 LEU 29 5.179 10.461 11.326 250 HD23 LEU 29 HD23 LEU 29 5.077 9.029 10.301 251 H PHE 30 H PHE 30 8.181 13.953 8.792 252 HA PHE 30 HA PHE 30 10.775 13.760 10.121 253 HB2 PHE 30 HB2 PHE 30 10.401 13.303 7.153 254 HB3 PHE 30 HB3 PHE 30 11.948 13.417 7.985 255 HD1 PHE 30 HD2 PHE 30 8.883 11.392 7.638 256 HD2 PHE 30 HD1 PHE 30 12.875 11.560 9.104 257 HE1 PHE 30 HE2 PHE 30 8.826 8.969 8.061 258 HE2 PHE 30 HE1 PHE 30 12.825 9.137 9.529 259 HZ PHE 30 HZ PHE 30 10.798 7.839 9.008 260 H ILE 31 H ILE 31 12.358 15.303 8.776 261 HA ILE 31 HA ILE 31 10.955 17.689 7.857 262 HB ILE 31 HB ILE 31 12.919 17.763 10.152 263 HG12 ILE 31 HG12 ILE 31 9.954 18.357 10.023 264 HG13 ILE 31 HG13 ILE 31 10.718 17.019 10.874 265 HG21 ILE 31 HG21 ILE 31 12.512 20.169 10.175 266 HG22 ILE 31 HG22 ILE 31 13.190 19.654 8.631 267 HG23 ILE 31 HG23 ILE 31 11.468 20.013 8.762 268 HD11 ILE 31 HD11 ILE 31 10.404 18.434 12.613 269 HD12 ILE 31 HD12 ILE 31 11.984 19.008 12.078 270 HD13 ILE 31 HD13 ILE 31 10.524 19.877 11.607 271 H ILE 32 H ILE 32 12.099 18.887 6.402 272 HA ILE 32 HA ILE 32 14.938 18.309 6.010 273 HB ILE 32 HB ILE 32 12.784 17.841 3.979 274 HG12 ILE 32 HG12 ILE 32 15.326 16.287 4.292 275 HG13 ILE 32 HG13 ILE 32 14.033 16.071 5.466 276 HG21 ILE 32 HG21 ILE 32 14.816 17.714 2.349 277 HG22 ILE 32 HG22 ILE 32 14.048 19.264 2.684 278 HG23 ILE 32 HG23 ILE 32 15.555 18.836 3.491 279 HD11 ILE 32 HD11 ILE 32 12.630 15.094 3.939 280 HD12 ILE 32 HD12 ILE 32 13.418 15.863 2.560 281 HD13 ILE 32 HD13 ILE 32 14.203 14.519 3.388 282 H GLU 33 H GLU 33 16.112 20.018 5.270 283 HA GLU 33 HA GLU 33 14.631 22.524 4.854 284 HB2 GLU 33 HB2 GLU 33 16.692 23.671 5.541 285 HB3 GLU 33 HB3 GLU 33 16.118 22.566 6.782 286 HG2 GLU 33 HG2 GLU 33 17.765 20.887 5.892 287 HG3 GLU 33 HG3 GLU 33 18.433 22.188 4.908 288 H GLN 34 H GLN 34 14.571 23.307 2.863 289 HA GLN 34 HA GLN 34 15.642 22.204 0.613 290 HB2 GLN 34 HB2 GLN 34 14.865 25.032 1.253 291 HB3 GLN 34 HB3 GLN 34 15.517 24.624 -0.328 292 HG2 GLN 34 HG2 GLN 34 13.278 24.439 -0.726 293 HG3 GLN 34 HG3 GLN 34 13.670 22.777 -0.285 294 HE21 GLN 34 HE21 GLN 34 13.215 22.101 1.895 295 HE22 GLN 34 HE22 GLN 34 11.915 22.833 2.764 296 H ASP 35 H ASP 35 17.349 22.951 -0.847 297 HA ASP 35 HA ASP 35 19.778 23.578 0.664 298 HB2 ASP 35 HB2 ASP 35 19.404 21.574 -1.047 299 HB3 ASP 35 HB3 ASP 35 19.876 22.808 -2.213 300 H GLN 36 H GLN 36 17.755 24.753 -1.933 301 HA GLN 36 HA GLN 36 19.317 26.566 -3.229 302 HB2 GLN 36 HB2 GLN 36 17.185 28.023 -3.290 303 HB3 GLN 36 HB3 GLN 36 17.123 26.416 -4.001 304 HG2 GLN 36 HG2 GLN 36 16.393 26.465 -1.180 305 HG3 GLN 36 HG3 GLN 36 15.339 27.441 -2.202 306 HE21 GLN 36 HE21 GLN 36 13.588 26.343 -2.687 307 HE22 GLN 36 HE22 GLN 36 13.517 24.676 -3.134 308 H ALA 37 H ALA 37 20.623 28.120 -2.558 309 HA ALA 37 HA ALA 37 20.487 29.158 0.114 310 HB1 ALA 37 HB1 ALA 37 22.494 28.850 -1.738 311 HB2 ALA 37 HB2 ALA 37 22.238 30.595 -1.716 312 HB3 ALA 37 HB3 ALA 37 22.616 29.742 -0.220 313 H SER 38 H SER 38 18.561 29.791 -2.361 314 HA SER 38 HA SER 38 17.143 31.488 -2.896 315 HB2 SER 38 HB2 SER 38 18.187 32.494 -0.255 316 HB3 SER 38 HB3 SER 38 17.038 33.432 -1.208 317 HG SER 38 HG SER 38 16.548 31.389 0.419 318 H LYS 39 H LYS 39 17.427 32.842 -4.533 319 HA LYS 39 HA LYS 39 19.966 33.926 -5.173 320 HB2 LYS 39 HB2 LYS 39 17.206 34.319 -6.311 321 HB3 LYS 39 HB3 LYS 39 18.597 35.195 -6.935 322 HG2 LYS 39 HG2 LYS 39 18.076 33.199 -8.257 323 HG3 LYS 39 HG3 LYS 39 19.683 33.120 -7.532 324 HD2 LYS 39 HD2 LYS 39 19.056 31.498 -6.003 325 HD3 LYS 39 HD3 LYS 39 17.345 31.918 -6.106 326 HE2 LYS 39 HE2 LYS 39 17.643 29.823 -7.205 327 HE3 LYS 39 HE3 LYS 39 17.356 31.040 -8.447 328 HZ1 LYS 39 HZ1 LYS 39 20.138 30.652 -7.812 329 HZ2 LYS 39 HZ2 LYS 39 19.373 30.729 -9.318 330 HZ3 LYS 39 HZ3 LYS 39 19.392 29.275 -8.453 331 H ASP 40 H ASP 40 16.903 35.616 -4.463 332 HA ASP 40 HA ASP 40 18.368 38.047 -3.854 333 HB2 ASP 40 HB2 ASP 40 15.770 37.448 -4.803 334 HB3 ASP 40 HB3 ASP 40 15.570 38.247 -3.246 335 H PHE 41 H PHE 41 17.317 35.328 -2.185 336 HA PHE 41 HA PHE 41 16.857 34.874 0.022 337 HB2 PHE 41 HB2 PHE 41 18.681 35.927 1.524 338 HB3 PHE 41 HB3 PHE 41 19.187 34.847 0.229 339 HD1 PHE 41 HD1 PHE 41 20.228 35.747 -1.802 340 HD2 PHE 41 HD2 PHE 41 19.239 38.243 1.501 341 HE1 PHE 41 HE1 PHE 41 21.699 37.505 -2.695 342 HE2 PHE 41 HE2 PHE 41 20.708 40.006 0.613 343 HZ PHE 41 HZ PHE 41 21.940 39.639 -1.488 344 H ASN 42 H ASN 42 14.813 35.880 0.216 345 HA ASN 42 HA ASN 42 14.853 38.499 1.563 346 HB2 ASN 42 HB2 ASN 42 12.860 39.068 0.553 347 HB3 ASN 42 HB3 ASN 42 13.570 38.057 -0.702 348 HD21 ASN 42 HD21 ASN 42 13.146 35.552 0.394 349 H ARG 43 H ARG 43 12.442 38.593 2.732 350 HA ARG 43 HA ARG 43 12.353 36.242 4.504 351 HB2 ARG 43 HB2 ARG 43 11.577 38.114 6.221 352 HB3 ARG 43 HB3 ARG 43 13.274 37.718 5.985 353 HG2 ARG 43 HG2 ARG 43 13.396 39.597 4.339 354 HG3 ARG 43 HG3 ARG 43 11.761 40.044 4.828 355 HD2 ARG 43 HD2 ARG 43 12.428 40.771 6.890 356 HD3 ARG 43 HD3 ARG 43 13.800 39.665 6.954 357 HE ARG 43 HE ARG 43 13.828 42.347 6.036 358 HH11 ARG 43 HH11 ARG 43 15.200 39.208 5.417 359 HH12 ARG 43 HH12 ARG 43 16.659 39.836 4.726 360 HH21 ARG 43 HH21 ARG 43 15.744 43.187 5.126 361 HH22 ARG 43 HH22 ARG 43 16.967 42.101 4.562 362 H SER 44 H SER 44 10.691 36.106 2.492 363 HA SER 44 HA SER 44 8.147 37.342 3.231 364 HB2 SER 44 HB2 SER 44 8.675 37.499 0.891 365 HB3 SER 44 HB3 SER 44 9.005 35.770 0.795 366 HG SER 44 HG SER 44 6.982 35.801 0.125 367 H LYS 45 H LYS 45 9.375 35.212 4.835 368 HA LYS 45 HA LYS 45 7.993 32.769 4.366 369 HB2 LYS 45 HB2 LYS 45 9.036 33.641 7.048 370 HB3 LYS 45 HB3 LYS 45 8.930 32.015 6.390 371 HG2 LYS 45 HG2 LYS 45 10.585 33.338 4.615 372 HG3 LYS 45 HG3 LYS 45 11.064 33.959 6.197 373 HD2 LYS 45 HD2 LYS 45 11.514 31.769 7.010 374 HD3 LYS 45 HD3 LYS 45 10.755 31.021 5.604 375 HE2 LYS 45 HE2 LYS 45 13.227 30.963 5.523 376 HE3 LYS 45 HE3 LYS 45 12.510 31.831 4.167 377 HZ1 LYS 45 HZ1 LYS 45 13.578 33.673 4.740 378 HZ2 LYS 45 HZ2 LYS 45 14.460 32.759 5.856 379 HZ3 LYS 45 HZ3 LYS 45 13.062 33.574 6.349 380 H ALA 46 H ALA 46 7.612 35.100 7.044 381 HA ALA 46 HA ALA 46 4.817 35.326 6.799 382 HB1 ALA 46 HB1 ALA 46 4.434 33.168 7.509 383 HB2 ALA 46 HB2 ALA 46 5.821 33.166 8.599 384 HB3 ALA 46 HB3 ALA 46 4.363 34.058 9.030 385 H LEU 47 H LEU 47 5.348 37.491 7.158 386 HA LEU 47 HA LEU 47 5.714 38.174 9.976 387 HB2 LEU 47 HB2 LEU 47 7.153 40.138 8.667 388 HB3 LEU 47 HB3 LEU 47 7.809 38.827 9.646 389 HG LEU 47 HG LEU 47 7.307 38.335 6.750 390 HD11 LEU 47 HD11 LEU 47 8.857 39.731 5.982 391 HD12 LEU 47 HD12 LEU 47 9.993 39.280 7.253 392 HD13 LEU 47 HD13 LEU 47 8.793 40.536 7.549 393 HD21 LEU 47 HD21 LEU 47 8.793 36.632 7.012 394 HD22 LEU 47 HD22 LEU 47 8.202 36.737 8.671 395 HD23 LEU 47 HD23 LEU 47 9.735 37.490 8.231 396 H PHE 48 H PHE 48 4.807 40.147 10.589 397 HA PHE 48 HA PHE 48 3.877 42.178 8.979 398 HB2 PHE 48 HB2 PHE 48 2.332 39.842 8.586 399 HB3 PHE 48 HB3 PHE 48 1.337 40.953 9.523 400 HD1 PHE 48 HD2 PHE 48 3.886 41.848 6.994 401 HD2 PHE 48 HD1 PHE 48 -0.257 41.593 7.934 402 HE1 PHE 48 HE2 PHE 48 3.348 43.092 4.942 403 HE2 PHE 48 HE1 PHE 48 -0.802 42.837 5.882 404 HZ PHE 48 HZ PHE 48 1.002 43.589 4.383 405 H SER 49 H SER 49 3.562 40.246 11.824 406 HA SER 49 HA SER 49 1.811 41.559 13.431 407 HB2 SER 49 HB2 SER 49 4.291 40.046 13.883 408 HB3 SER 49 HB3 SER 49 3.878 41.158 15.188 409 HG SER 49 HG SER 49 2.931 39.051 15.411 410 H GLN 50 H GLN 50 1.869 43.320 14.852 411 HA GLN 50 HA GLN 50 2.912 45.688 13.907 412 HB2 GLN 50 HB2 GLN 50 2.525 46.568 16.234 413 HB3 GLN 50 HB3 GLN 50 1.146 45.757 15.503 414 HG2 GLN 50 HG2 GLN 50 2.695 43.845 16.945 415 HG3 GLN 50 HG3 GLN 50 2.367 45.232 17.983 416 HE21 GLN 50 HE21 GLN 50 1.124 42.411 16.580 417 HE22 GLN 50 HE22 GLN 50 -0.511 42.575 17.115 418 H SER 51 H SER 51 4.973 46.190 13.580 419 HA SER 51 HA SER 51 7.234 46.341 13.828 420 HB2 SER 51 HB2 SER 51 6.951 46.337 16.801 421 HB3 SER 51 HB3 SER 51 7.904 47.399 15.765 422 HG SER 51 HG SER 51 5.146 47.488 16.337 423 H ALA 52 H ALA 52 6.382 43.735 13.508 424 HA ALA 52 HA ALA 52 7.546 42.025 15.502 425 HB1 ALA 52 HB1 ALA 52 5.930 41.708 13.121 426 HB2 ALA 52 HB2 ALA 52 7.219 40.505 13.206 427 HB3 ALA 52 HB3 ALA 52 6.072 40.665 14.536 428 H ILE 53 H ILE 53 8.379 42.846 12.134 429 HA ILE 53 HA ILE 53 11.144 42.006 12.720 430 HB ILE 53 HB ILE 53 9.819 42.017 10.007 431 HG12 ILE 53 HG12 ILE 53 10.049 39.921 12.116 432 HG13 ILE 53 HG13 ILE 53 8.740 40.230 10.980 433 HG21 ILE 53 HG21 ILE 53 12.392 40.696 10.831 434 HG22 ILE 53 HG22 ILE 53 11.772 40.955 9.201 435 HG23 ILE 53 HG23 ILE 53 12.320 42.327 10.164 436 HD11 ILE 53 HD11 ILE 53 9.616 38.227 10.242 437 HD12 ILE 53 HD12 ILE 53 10.413 39.406 9.198 438 HD13 ILE 53 HD13 ILE 53 11.279 38.715 10.571 439 H SER 54 H SER 54 12.755 43.424 12.355 440 HA SER 54 HA SER 54 12.179 45.864 10.834 441 HB2 SER 54 HB2 SER 54 12.950 45.672 13.706 442 HB3 SER 54 HB3 SER 54 13.667 46.971 12.753 443 HG SER 54 HG SER 54 11.730 47.673 13.664 444 H GLN 55 H GLN 55 13.545 45.565 9.172 445 HA GLN 55 HA GLN 55 15.911 44.183 9.092 446 HB2 GLN 55 HB2 GLN 55 15.369 46.724 7.553 447 HB3 GLN 55 HB3 GLN 55 16.460 45.424 7.094 448 HG2 GLN 55 HG2 GLN 55 14.750 44.735 5.836 449 HG3 GLN 55 HG3 GLN 55 14.133 44.070 7.348 450 HE21 GLN 55 HE21 GLN 55 14.103 47.031 5.410 451 HE22 GLN 55 HE22 GLN 55 12.477 47.473 5.791 452 H LYS 56 H LYS 56 15.302 47.290 10.480 453 HA LYS 56 HA LYS 56 17.702 48.574 10.468 454 HB2 LYS 56 HB2 LYS 56 15.904 48.262 12.879 455 HB3 LYS 56 HB3 LYS 56 17.099 49.530 12.643 456 HG2 LYS 56 HG2 LYS 56 15.672 49.915 10.433 457 HG3 LYS 56 HG3 LYS 56 14.415 49.199 11.445 458 HD2 LYS 56 HD2 LYS 56 14.146 51.384 12.033 459 HD3 LYS 56 HD3 LYS 56 15.386 50.937 13.207 460 HE2 LYS 56 HE2 LYS 56 17.114 51.831 11.753 461 HE3 LYS 56 HE3 LYS 56 15.910 52.213 10.523 462 HZ1 LYS 56 HZ1 LYS 56 15.579 54.153 11.502 463 HZ2 LYS 56 HZ2 LYS 56 16.735 53.788 12.680 464 HZ3 LYS 56 HZ3 LYS 56 15.111 53.387 12.936 465 H GLU 57 H GLU 57 16.763 45.908 12.610 466 HA GLU 57 HA GLU 57 19.552 45.189 12.932 467 HB2 GLU 57 HB2 GLU 57 17.842 45.816 15.346 468 HB3 GLU 57 HB3 GLU 57 19.482 45.182 15.375 469 HG2 GLU 57 HG2 GLU 57 20.289 47.238 14.319 470 HG3 GLU 57 HG3 GLU 57 18.644 47.874 14.318 471 H TYR 58 H TYR 58 16.983 44.104 11.840 472 HA TYR 58 HA TYR 58 15.875 42.089 13.357 473 HB2 TYR 58 HB2 TYR 58 15.051 41.182 11.367 474 HB3 TYR 58 HB3 TYR 58 15.316 42.872 10.952 475 HD1 TYR 58 HD1 TYR 58 18.211 42.945 10.479 476 HD2 TYR 58 HD2 TYR 58 15.340 40.002 9.384 477 HE1 TYR 58 HE1 TYR 58 19.638 42.261 8.596 478 HE2 TYR 58 HE2 TYR 58 16.760 39.310 7.499 479 HH TYR 58 HH TYR 58 19.854 40.927 6.839 480 H ASP 59 H ASP 59 16.190 39.704 13.078 481 HA ASP 59 HA ASP 59 19.062 39.047 13.000 482 HB2 ASP 59 HB2 ASP 59 17.733 38.963 15.260 483 HB3 ASP 59 HB3 ASP 59 17.115 37.444 14.618 484 H SER 60 H SER 60 19.338 36.558 12.750 485 HA SER 60 HA SER 60 17.931 35.841 10.309 486 HB2 SER 60 HB2 SER 60 20.533 35.337 11.403 487 HB3 SER 60 HB3 SER 60 19.750 33.796 11.051 488 HG SER 60 HG SER 60 20.952 34.820 9.278 489 H SER 61 H SER 61 17.557 35.306 13.583 490 HA SER 61 HA SER 61 16.853 32.620 13.783 491 HB2 SER 61 HB2 SER 61 15.137 33.803 15.549 492 HB3 SER 61 HB3 SER 61 16.834 33.462 15.885 493 HG SER 61 HG SER 61 15.624 35.822 15.781 494 H LEU 62 H LEU 62 15.101 35.328 12.465 495 HA LEU 62 HA LEU 62 12.572 33.959 12.362 496 HB2 LEU 62 HB2 LEU 62 11.808 35.896 11.101 497 HB3 LEU 62 HB3 LEU 62 12.653 36.375 12.572 498 HG LEU 62 HG LEU 62 14.612 36.393 10.590 499 HD11 LEU 62 HD11 LEU 62 11.954 37.093 9.502 500 HD12 LEU 62 HD12 LEU 62 13.390 36.474 8.687 501 HD13 LEU 62 HD13 LEU 62 13.287 38.182 9.116 502 HD21 LEU 62 HD21 LEU 62 14.257 37.929 12.535 503 HD22 LEU 62 HD22 LEU 62 13.022 38.751 11.583 504 HD23 LEU 62 HD23 LEU 62 14.696 38.734 11.028 505 H ALA 63 H ALA 63 15.390 34.085 10.430 506 HA ALA 63 HA ALA 63 13.951 32.997 8.108 507 HB1 ALA 63 HB1 ALA 63 15.310 34.204 6.837 508 HB2 ALA 63 HB2 ALA 63 15.998 34.906 8.302 509 HB3 ALA 63 HB3 ALA 63 16.729 33.471 7.585 510 H THR 64 H THR 64 13.910 30.858 7.986 511 HA THR 64 HA THR 64 16.274 29.349 8.893 512 HB THR 64 HB THR 64 14.656 27.453 9.358 513 HG1 THR 64 HG1 THR 64 12.757 29.579 9.272 514 HG21 THR 64 HG21 THR 64 15.258 29.798 10.920 515 HG22 THR 64 HG22 THR 64 15.119 28.118 11.436 516 HG23 THR 64 HG23 THR 64 13.685 29.141 11.371 517 H LEU 65 H LEU 65 15.819 30.340 6.244 518 HA LEU 65 HA LEU 65 15.782 29.685 4.061 519 HB2 LEU 65 HB2 LEU 65 16.528 26.919 4.531 520 HB3 LEU 65 HB3 LEU 65 17.391 28.193 3.671 521 HG LEU 65 HG LEU 65 17.768 28.897 6.295 522 HD11 LEU 65 HD11 LEU 65 17.653 27.163 7.673 523 HD12 LEU 65 HD12 LEU 65 18.627 26.170 6.589 524 HD13 LEU 65 HD13 LEU 65 16.878 26.247 6.380 525 HD21 LEU 65 HD21 LEU 65 19.659 27.028 4.929 526 HD22 LEU 65 HD22 LEU 65 20.001 28.477 5.875 527 HD23 LEU 65 HD23 LEU 65 19.339 28.622 4.246 528 H ASP 66 H ASP 66 13.401 29.074 5.826 529 HA ASP 66 HA ASP 66 11.373 28.047 5.682 530 HB2 ASP 66 HB2 ASP 66 12.267 28.335 2.847 531 HB3 ASP 66 HB3 ASP 66 10.813 27.396 3.177 532 H HIS 67 H HIS 67 11.651 26.191 6.857 533 HA HIS 67 HA HIS 67 12.820 23.840 5.622 534 HB2 HIS 67 HB2 HIS 67 11.642 24.300 8.369 535 HB3 HIS 67 HB3 HIS 67 12.356 22.780 7.840 536 HD1 HIS 67 HD1 HIS 67 13.511 24.345 10.234 537 HD2 HIS 67 HD2 HIS 67 14.888 24.681 6.329 538 HE1 HIS 67 HE1 HIS 67 15.875 25.182 10.425 539 H THR 68 H THR 68 11.726 22.228 4.697 540 HA THR 68 HA THR 68 8.812 22.399 4.629 541 HB THR 68 HB THR 68 10.753 20.761 2.989 542 HG1 THR 68 HG1 THR 68 9.203 23.091 2.519 543 HG21 THR 68 HG21 THR 68 7.795 20.656 3.236 544 HG22 THR 68 HG22 THR 68 8.944 19.374 2.855 545 HG23 THR 68 HG23 THR 68 8.481 20.540 1.616 546 H GLU 69 H GLU 69 7.851 21.390 6.284 547 HA GLU 69 HA GLU 69 8.959 19.145 7.633 548 HB2 GLU 69 HB2 GLU 69 6.061 19.955 7.731 549 HB3 GLU 69 HB3 GLU 69 7.019 19.176 8.983 550 HG2 GLU 69 HG2 GLU 69 8.357 21.251 9.182 551 HG3 GLU 69 HG3 GLU 69 7.266 22.017 8.029 552 H ILE 70 H ILE 70 8.761 17.033 7.238 553 HA ILE 70 HA ILE 70 7.345 16.179 4.866 554 HB ILE 70 HB ILE 70 9.110 14.717 6.822 555 HG12 ILE 70 HG12 ILE 70 10.322 14.416 4.481 556 HG13 ILE 70 HG13 ILE 70 9.406 15.865 4.081 557 HG21 ILE 70 HG21 ILE 70 8.948 12.852 5.069 558 HG22 ILE 70 HG22 ILE 70 7.612 13.042 6.202 559 HG23 ILE 70 HG23 ILE 70 7.464 13.654 4.554 560 HD11 ILE 70 HD11 ILE 70 10.408 16.958 6.079 561 HD12 ILE 70 HD12 ILE 70 11.431 15.535 6.275 562 HD13 ILE 70 HD13 ILE 70 11.566 16.524 4.823 563 H LYS 71 H LYS 71 5.240 15.781 4.969 564 HA LYS 71 HA LYS 71 4.183 14.432 7.367 565 HB2 LYS 71 HB2 LYS 71 1.987 15.483 6.756 566 HB3 LYS 71 HB3 LYS 71 3.230 16.622 7.255 567 HG2 LYS 71 HG2 LYS 71 3.706 16.941 4.776 568 HG3 LYS 71 HG3 LYS 71 2.183 16.094 4.495 569 HD2 LYS 71 HD2 LYS 71 1.179 18.075 4.706 570 HD3 LYS 71 HD3 LYS 71 1.561 17.984 6.427 571 HE2 LYS 71 HE2 LYS 71 2.488 20.013 5.897 572 HE3 LYS 71 HE3 LYS 71 3.871 18.950 5.641 573 HZ1 LYS 71 HZ1 LYS 71 2.879 18.867 3.230 574 HZ2 LYS 71 HZ2 LYS 71 3.900 20.127 3.711 575 HZ3 LYS 71 HZ3 LYS 71 2.225 20.363 3.676 576 H ALA 72 H ALA 72 3.077 12.573 7.105 577 HA ALA 72 HA ALA 72 3.337 11.008 4.850 578 HB1 ALA 72 HB1 ALA 72 2.730 9.660 6.543 579 HB2 ALA 72 HB2 ALA 72 1.724 10.894 7.303 580 HB3 ALA 72 HB3 ALA 72 1.096 9.955 5.948 581 HA PRO 73 HA PRO 73 0.414 12.525 1.930 582 HB2 PRO 73 HB2 PRO 73 0.025 10.263 0.479 583 HB3 PRO 73 HB3 PRO 73 1.506 11.224 0.384 584 HG2 PRO 73 HG2 PRO 73 0.973 8.713 1.925 585 HG3 PRO 73 HG3 PRO 73 2.400 9.159 0.971 586 HD2 PRO 73 HD2 PRO 73 2.337 9.352 3.671 587 HD3 PRO 73 HD3 PRO 73 3.276 10.464 2.656 588 H PHE 74 H PHE 74 -0.300 9.574 3.721 589 HA PHE 74 HA PHE 74 -2.963 10.397 4.272 590 HB2 PHE 74 HB2 PHE 74 -3.775 8.100 3.106 591 HB3 PHE 74 HB3 PHE 74 -3.851 9.670 2.312 592 HD1 PHE 74 HD2 PHE 74 -1.275 7.025 2.879 593 HD2 PHE 74 HD1 PHE 74 -3.157 9.680 0.136 594 HE1 PHE 74 HE2 PHE 74 0.165 6.175 1.073 595 HE2 PHE 74 HE1 PHE 74 -1.720 8.834 -1.674 596 HZ PHE 74 HZ PHE 74 -0.056 7.081 -1.206 597 H ASP 75 H ASP 75 -4.106 8.871 5.645 598 HA ASP 75 HA ASP 75 -2.602 7.806 7.675 599 HB2 ASP 75 HB2 ASP 75 -4.574 6.791 8.491 600 HB3 ASP 75 HB3 ASP 75 -5.124 8.207 7.600 601 H GLY 76 H GLY 76 -1.559 5.934 8.090 602 HA2 GLY 76 HA2 GLY 76 -2.043 3.497 6.713 603 HA3 GLY 76 HA3 GLY 76 -0.635 4.307 6.041 604 H THR 77 H THR 77 0.690 2.576 6.732 605 HA THR 77 HA THR 77 1.278 2.648 9.618 606 HB THR 77 HB THR 77 1.291 0.215 7.824 607 HG1 THR 77 HG1 THR 77 -0.438 -0.409 9.004 608 HG21 THR 77 HG21 THR 77 3.136 -0.143 9.203 609 HG22 THR 77 HG22 THR 77 1.822 -0.915 10.091 610 HG23 THR 77 HG23 THR 77 2.394 0.682 10.573 611 H ILE 78 H ILE 78 3.060 3.936 9.554 612 HA ILE 78 HA ILE 78 5.102 3.655 7.564 613 HB ILE 78 HB ILE 78 4.526 5.792 8.818 614 HG12 ILE 78 HG12 ILE 78 7.452 5.296 9.104 615 HG13 ILE 78 HG13 ILE 78 6.736 5.091 7.509 616 HG21 ILE 78 HG21 ILE 78 6.464 5.066 10.917 617 HG22 ILE 78 HG22 ILE 78 5.030 6.088 10.998 618 HG23 ILE 78 HG23 ILE 78 4.866 4.333 11.050 619 HD11 ILE 78 HD11 ILE 78 7.380 7.509 8.960 620 HD12 ILE 78 HD12 ILE 78 7.056 7.268 7.244 621 HD13 ILE 78 HD13 ILE 78 5.719 7.503 8.369 622 H GLY 79 H GLY 79 7.094 2.703 7.719 623 HA2 GLY 79 HA2 GLY 79 7.379 0.731 9.860 624 HA3 GLY 79 HA3 GLY 79 8.284 0.767 8.354 625 H ASP 80 H ASP 80 10.340 0.731 9.094 626 HA ASP 80 HA ASP 80 11.124 2.736 11.093 627 HB2 ASP 80 HB2 ASP 80 11.719 0.436 11.658 628 HB3 ASP 80 HB3 ASP 80 12.576 0.263 10.128 629 H ALA 81 H ALA 81 12.884 4.113 10.736 630 HA ALA 81 HA ALA 81 13.163 5.062 8.080 631 HB1 ALA 81 HB1 ALA 81 13.384 6.693 9.731 632 HB2 ALA 81 HB2 ALA 81 14.520 5.724 10.670 633 HB3 ALA 81 HB3 ALA 81 15.033 6.458 9.152 634 H LEU 82 H LEU 82 15.095 5.186 6.809 635 HA LEU 82 HA LEU 82 16.926 2.924 7.273 636 HB2 LEU 82 HB2 LEU 82 16.805 2.320 5.109 637 HB3 LEU 82 HB3 LEU 82 15.247 3.139 5.198 638 HG LEU 82 HG LEU 82 16.697 5.214 4.428 639 HD11 LEU 82 HD11 LEU 82 18.147 3.333 2.736 640 HD12 LEU 82 HD12 LEU 82 18.651 3.295 4.426 641 HD13 LEU 82 HD13 LEU 82 18.699 4.810 3.525 642 HD21 LEU 82 HD21 LEU 82 14.769 3.917 3.295 643 HD22 LEU 82 HD22 LEU 82 16.050 3.161 2.347 644 HD23 LEU 82 HD23 LEU 82 15.831 4.911 2.298 645 H VAL 83 H VAL 83 16.628 6.296 6.825 646 HA VAL 83 HA VAL 83 19.526 6.562 6.366 647 HB VAL 83 HB VAL 83 19.143 8.774 5.539 648 HG11 VAL 83 HG11 VAL 83 16.914 7.197 4.300 649 HG12 VAL 83 HG12 VAL 83 18.067 8.289 3.530 650 HG13 VAL 83 HG13 VAL 83 18.597 6.708 4.104 651 HG21 VAL 83 HG21 VAL 83 17.522 9.881 6.653 652 HG22 VAL 83 HG22 VAL 83 16.507 9.311 5.328 653 HG23 VAL 83 HG23 VAL 83 16.529 8.438 6.861 654 H ASN 84 H ASN 84 20.141 8.954 7.290 655 HA ASN 84 HA ASN 84 19.240 9.031 10.091 656 HB2 ASN 84 HB2 ASN 84 22.058 9.055 9.024 657 HB3 ASN 84 HB3 ASN 84 21.667 9.714 10.611 658 HD21 ASN 84 HD21 ASN 84 21.261 6.805 8.638 659 HD22 ASN 84 HD22 ASN 84 21.397 5.686 9.949 660 H ILE 85 H ILE 85 19.819 11.121 11.174 661 HA ILE 85 HA ILE 85 18.926 13.298 9.542 662 HB ILE 85 HB ILE 85 19.899 13.264 12.401 663 HG12 ILE 85 HG12 ILE 85 17.124 13.294 11.194 664 HG13 ILE 85 HG13 ILE 85 17.864 11.971 12.090 665 HG21 ILE 85 HG21 ILE 85 18.832 15.477 12.578 666 HG22 ILE 85 HG22 ILE 85 20.190 15.471 11.455 667 HG23 ILE 85 HG23 ILE 85 18.538 15.455 10.840 668 HD11 ILE 85 HD11 ILE 85 17.926 13.394 14.090 669 HD12 ILE 85 HD12 ILE 85 17.112 14.669 13.183 670 HD13 ILE 85 HD13 ILE 85 16.289 13.138 13.484 671 H GLY 86 H GLY 86 20.035 15.191 9.002 672 HA2 GLY 86 HA2 GLY 86 21.907 16.592 8.796 673 HA3 GLY 86 HA3 GLY 86 22.889 15.355 9.566 674 H ASP 87 H ASP 87 20.987 13.979 7.187 675 HA ASP 87 HA ASP 87 23.231 14.068 5.282 676 HB2 ASP 87 HB2 ASP 87 21.875 11.873 6.431 677 HB3 ASP 87 HB3 ASP 87 21.391 11.926 4.738 678 H TYR 88 H TYR 88 22.897 14.797 3.269 679 HA TYR 88 HA TYR 88 20.633 16.275 2.601 680 HB2 TYR 88 HB2 TYR 88 22.911 16.473 1.555 681 HB3 TYR 88 HB3 TYR 88 22.552 15.018 0.633 682 HD1 TYR 88 HD2 TYR 88 21.598 18.546 1.152 683 HD2 TYR 88 HD1 TYR 88 21.156 15.094 -1.296 684 HE1 TYR 88 HE2 TYR 88 20.509 19.918 -0.575 685 HE2 TYR 88 HE1 TYR 88 20.068 16.457 -3.031 686 HH TYR 88 HH TYR 88 20.220 19.162 -3.610 687 H VAL 89 H VAL 89 19.042 15.916 0.937 688 HA VAL 89 HA VAL 89 18.554 13.186 0.085 689 HB VAL 89 HB VAL 89 16.238 13.158 0.952 690 HG11 VAL 89 HG11 VAL 89 16.788 12.402 3.109 691 HG12 VAL 89 HG12 VAL 89 18.244 12.141 2.147 692 HG13 VAL 89 HG13 VAL 89 18.146 13.519 3.246 693 HG21 VAL 89 HG21 VAL 89 16.237 14.895 3.080 694 HG22 VAL 89 HG22 VAL 89 16.984 15.848 1.798 695 HG23 VAL 89 HG23 VAL 89 15.389 15.139 1.553 696 H SER 90 H SER 90 17.046 13.019 -1.618 697 HA SER 90 HA SER 90 16.711 15.507 -3.098 698 HB2 SER 90 HB2 SER 90 17.187 12.779 -3.803 699 HB3 SER 90 HB3 SER 90 15.673 13.289 -4.550 700 HG SER 90 HG SER 90 18.262 14.109 -5.050 701 H ALA 91 H ALA 91 14.563 15.247 -4.598 702 HA ALA 91 HA ALA 91 12.419 15.890 -2.903 703 HB1 ALA 91 HB1 ALA 91 11.044 15.693 -5.019 704 HB2 ALA 91 HB2 ALA 91 12.408 16.810 -5.076 705 HB3 ALA 91 HB3 ALA 91 12.535 15.222 -5.833 706 H SER 92 H SER 92 11.889 13.425 -5.346 707 HA SER 92 HA SER 92 10.580 11.772 -3.306 708 HB2 SER 92 HB2 SER 92 9.022 12.163 -4.995 709 HB3 SER 92 HB3 SER 92 10.233 12.072 -6.273 710 HG SER 92 HG SER 92 9.969 9.984 -6.367 711 H THR 93 H THR 93 13.489 11.980 -4.806 712 HA THR 93 HA THR 93 13.940 9.215 -5.434 713 HB THR 93 HB THR 93 16.282 10.944 -4.901 714 HG1 THR 93 HG1 THR 93 15.791 11.941 -7.068 715 HG21 THR 93 HG21 THR 93 16.233 9.967 -7.535 716 HG22 THR 93 HG22 THR 93 15.556 8.688 -6.527 717 HG23 THR 93 HG23 THR 93 17.156 9.337 -6.172 718 H THR 94 H THR 94 13.990 11.096 -2.585 719 HA THR 94 HA THR 94 15.729 9.210 -1.177 720 HB THR 94 HB THR 94 14.598 11.897 -0.425 721 HG1 THR 94 HG1 THR 94 17.279 10.944 -0.380 722 HG21 THR 94 HG21 THR 94 14.631 11.375 1.739 723 HG22 THR 94 HG22 THR 94 16.340 10.960 1.602 724 HG23 THR 94 HG23 THR 94 15.108 9.723 1.349 725 H GLU 95 H GLU 95 14.614 7.393 -0.707 726 HA GLU 95 HA GLU 95 11.923 7.643 0.431 727 HB2 GLU 95 HB2 GLU 95 11.942 5.101 0.144 728 HB3 GLU 95 HB3 GLU 95 11.902 6.075 -1.319 729 HG2 GLU 95 HG2 GLU 95 13.844 5.270 -2.039 730 HG3 GLU 95 HG3 GLU 95 14.607 5.459 -0.460 731 H LEU 96 H LEU 96 13.307 8.559 2.322 732 HA LEU 96 HA LEU 96 14.936 7.154 3.972 733 HB2 LEU 96 HB2 LEU 96 13.503 8.321 5.862 734 HB3 LEU 96 HB3 LEU 96 14.569 9.233 4.796 735 HG LEU 96 HG LEU 96 11.811 8.966 3.825 736 HD11 LEU 96 HD11 LEU 96 10.684 10.086 5.436 737 HD12 LEU 96 HD12 LEU 96 12.109 10.974 5.975 738 HD13 LEU 96 HD13 LEU 96 11.874 9.299 6.474 739 HD21 LEU 96 HD21 LEU 96 12.360 11.580 3.827 740 HD22 LEU 96 HD22 LEU 96 12.939 10.481 2.574 741 HD23 LEU 96 HD23 LEU 96 14.005 10.949 3.899 742 H VAL 97 H VAL 97 11.391 7.188 4.401 743 HA VAL 97 HA VAL 97 11.534 4.380 5.245 744 HB VAL 97 HB VAL 97 11.463 5.918 7.248 745 HG11 VAL 97 HG11 VAL 97 8.649 6.429 6.287 746 HG12 VAL 97 HG12 VAL 97 9.360 6.991 7.801 747 HG13 VAL 97 HG13 VAL 97 9.964 7.604 6.262 748 HG21 VAL 97 HG21 VAL 97 10.426 3.480 6.905 749 HG22 VAL 97 HG22 VAL 97 10.319 4.355 8.433 750 HG23 VAL 97 HG23 VAL 97 8.951 4.352 7.320 751 H ARG 98 H ARG 98 9.700 3.152 4.820 752 HA ARG 98 HA ARG 98 7.666 4.477 3.146 753 HB2 ARG 98 HB2 ARG 98 7.530 2.557 1.773 754 HB3 ARG 98 HB3 ARG 98 9.248 2.860 1.992 755 HG2 ARG 98 HG2 ARG 98 9.353 1.113 3.685 756 HG3 ARG 98 HG3 ARG 98 7.623 0.820 3.496 757 HD2 ARG 98 HD2 ARG 98 7.888 -0.069 1.355 758 HD3 ARG 98 HD3 ARG 98 9.483 0.653 1.152 759 HE ARG 98 HE ARG 98 9.606 -1.150 3.283 760 HH11 ARG 98 HH11 ARG 98 9.135 -1.160 -0.166 761 HH12 ARG 98 HH12 ARG 98 9.814 -2.739 -0.386 762 HH21 ARG 98 HH21 ARG 98 10.501 -3.229 3.008 763 HH22 ARG 98 HH22 ARG 98 10.589 -3.916 1.421 764 H VAL 99 H VAL 99 5.512 3.762 3.323 765 HA VAL 99 HA VAL 99 4.930 2.351 5.844 766 HB VAL 99 HB VAL 99 3.018 3.630 6.153 767 HG11 VAL 99 HG11 VAL 99 3.880 5.697 6.442 768 HG12 VAL 99 HG12 VAL 99 5.374 4.913 5.922 769 HG13 VAL 99 HG13 VAL 99 4.408 5.828 4.764 770 HG21 VAL 99 HG21 VAL 99 2.057 5.083 4.344 771 HG22 VAL 99 HG22 VAL 99 3.169 4.302 3.221 772 HG23 VAL 99 HG23 VAL 99 1.939 3.348 4.048 773 H THR 100 H THR 100 2.996 1.017 5.887 774 HA THR 100 HA THR 100 2.314 -0.100 3.245 775 HB THR 100 HB THR 100 2.473 -2.288 3.986 776 HG1 THR 100 HG1 THR 100 1.903 -2.872 5.951 777 HG21 THR 100 HG21 THR 100 4.650 -2.558 4.709 778 HG22 THR 100 HG22 THR 100 4.551 -1.216 5.848 779 HG23 THR 100 HG23 THR 100 4.687 -0.897 4.120 780 H ASN 101 H ASN 101 0.273 -1.527 3.437 781 HA ASN 101 HA ASN 101 -1.942 -1.763 3.930 782 HB2 ASN 101 HB2 ASN 101 -0.888 -1.377 6.374 783 HB3 ASN 101 HB3 ASN 101 -1.883 0.071 6.264 784 HD21 ASN 101 HD21 ASN 101 -3.726 -0.212 7.269 785 HD22 ASN 101 HD22 ASN 101 -4.691 -1.645 7.252 786 H LEU 102 H LEU 102 -1.677 -0.225 1.944 787 HA LEU 102 HA LEU 102 -3.450 2.052 2.440 788 HB2 LEU 102 HB2 LEU 102 -0.687 2.213 1.664 789 HB3 LEU 102 HB3 LEU 102 -1.715 2.864 0.389 790 HG LEU 102 HG LEU 102 -0.930 4.615 1.897 791 HD11 LEU 102 HD11 LEU 102 -3.881 4.033 2.097 792 HD12 LEU 102 HD12 LEU 102 -3.065 4.940 0.824 793 HD13 LEU 102 HD13 LEU 102 -3.128 5.585 2.464 794 HD21 LEU 102 HD21 LEU 102 -2.588 3.451 4.099 795 HD22 LEU 102 HD22 LEU 102 -1.302 4.655 4.183 796 HD23 LEU 102 HD23 LEU 102 -0.907 2.961 3.890 797 H ASN 103 H ASN 103 -3.834 3.060 0.026 798 HA ASN 103 HA ASN 103 -5.550 1.334 -1.261 799 HB2 ASN 103 HB2 ASN 103 -4.060 3.752 -2.276 800 HB3 ASN 103 HB3 ASN 103 -5.234 2.892 -3.268 801 HD21 ASN 103 HD21 ASN 103 -5.132 5.625 -1.999 802 HD22 ASN 103 HD22 ASN 103 -6.645 5.767 -1.177 803 HA PRO 104 HA PRO 104 -3.174 -1.448 -3.684 804 HB2 PRO 104 HB2 PRO 104 -4.737 -1.720 -5.887 805 HB3 PRO 104 HB3 PRO 104 -5.159 -2.415 -4.318 806 HG2 PRO 104 HG2 PRO 104 -6.132 0.112 -5.596 807 HG3 PRO 104 HG3 PRO 104 -7.051 -1.121 -4.712 808 HD2 PRO 104 HD2 PRO 104 -6.286 1.217 -3.579 809 HD3 PRO 104 HD3 PRO 104 -6.426 -0.292 -2.654 810 H ILE 105 H ILE 105 -1.315 -0.284 -4.206 811 HA ILE 105 HA ILE 105 -1.318 1.599 -6.392 812 HB ILE 105 HB ILE 105 0.914 0.469 -4.708 813 HG12 ILE 105 HG12 ILE 105 -0.609 2.053 -3.588 814 HG13 ILE 105 HG13 ILE 105 1.007 2.727 -3.776 815 HG21 ILE 105 HG21 ILE 105 1.022 2.443 -6.978 816 HG22 ILE 105 HG22 ILE 105 2.307 2.258 -5.785 817 HG23 ILE 105 HG23 ILE 105 1.879 0.909 -6.837 818 HD11 ILE 105 HD11 ILE 105 -0.510 3.458 -6.051 819 HD12 ILE 105 HD12 ILE 105 -1.468 3.805 -4.612 820 HD13 ILE 105 HD13 ILE 105 0.148 4.491 -4.783 821 H TYR 106 H TYR 106 -0.967 1.153 -8.465 822 HA TYR 106 HA TYR 106 0.701 -1.051 -9.284 823 HB2 TYR 106 HB2 TYR 106 -2.279 -1.115 -9.627 824 HB3 TYR 106 HB3 TYR 106 -1.236 -1.891 -10.813 825 HD1 TYR 106 HD1 TYR 106 0.338 -3.708 -10.034 826 HD2 TYR 106 HD2 TYR 106 -2.774 -2.166 -7.577 827 HE1 TYR 106 HE1 TYR 106 0.482 -5.707 -8.607 828 HE2 TYR 106 HE2 TYR 106 -2.639 -4.160 -6.143 829 HH TYR 106 HH TYR 106 -1.618 -6.090 -5.764 830 H ALA 107 H ALA 107 1.938 -0.077 -10.741 831 HA ALA 107 HA ALA 107 0.873 0.976 -13.150 832 HB1 ALA 107 HB1 ALA 107 1.475 2.864 -10.976 833 HB2 ALA 107 HB2 ALA 107 2.148 3.281 -12.552 834 HB3 ALA 107 HB3 ALA 107 0.411 3.037 -12.371 835 H ASP 108 H ASP 108 2.310 -0.332 -14.202 836 HA ASP 108 HA ASP 108 5.119 -0.315 -13.546 837 HB2 ASP 108 HB2 ASP 108 3.331 -1.957 -15.108 838 HB3 ASP 108 HB3 ASP 108 4.764 -1.550 -16.047 839 H GLY 109 H GLY 109 6.658 -0.145 -15.556 840 HA2 GLY 109 HA2 GLY 109 5.869 2.052 -17.323 841 HA3 GLY 109 HA3 GLY 109 7.236 2.323 -16.253 842 H SER 110 H SER 110 8.425 2.676 -18.255 843 HA SER 110 HA SER 110 8.839 0.488 -20.060 844 HB2 SER 110 HB2 SER 110 10.953 2.289 -20.403 845 HB3 SER 110 HB3 SER 110 9.450 2.242 -21.322 846 HG SER 110 HG SER 110 10.273 4.188 -19.818 847 H HIS 111 H HIS 111 10.944 2.133 -17.696 848 HA HIS 111 HA HIS 111 12.720 1.404 -16.477 849 HB2 HIS 111 HB2 HIS 111 10.926 -0.502 -16.099 850 HB3 HIS 111 HB3 HIS 111 12.068 -1.458 -17.038 851 HD1 HIS 111 HD1 HIS 111 11.378 -0.345 -13.663 852 HD2 HIS 111 HD2 HIS 111 14.750 -1.481 -15.809 853 HE1 HIS 111 HE1 HIS 111 13.129 -0.870 -11.936 854 H HIS 112 H HIS 112 14.500 1.964 -17.594 855 HA HIS 112 HA HIS 112 15.342 0.330 -19.869 856 HB2 HIS 112 HB2 HIS 112 15.487 3.095 -19.278 857 HB3 HIS 112 HB3 HIS 112 17.143 2.495 -19.313 858 HD1 HIS 112 HD1 HIS 112 14.484 3.641 -21.479 859 HD2 HIS 112 HD2 HIS 112 17.738 1.082 -21.839 860 HE1 HIS 112 HE1 HIS 112 14.869 3.386 -23.951 861 H HIS 113 H HIS 113 18.024 0.574 -19.878 862 HA HIS 113 HA HIS 113 18.880 -0.700 -17.361 863 HB2 HIS 113 HB2 HIS 113 19.831 -1.389 -20.150 864 HB3 HIS 113 HB3 HIS 113 20.349 -2.160 -18.654 865 HD1 HIS 113 HD1 HIS 113 18.736 -3.854 -17.573 866 HD2 HIS 113 HD2 HIS 113 17.308 -2.172 -21.094 867 HE1 HIS 113 HE1 HIS 113 16.751 -5.253 -18.230 868 H HIS 114 H HIS 114 20.523 0.426 -20.314 869 HA HIS 114 HA HIS 114 21.710 2.695 -19.151 870 HB2 HIS 114 HB2 HIS 114 22.923 0.275 -18.353 871 HB3 HIS 114 HB3 HIS 114 24.009 1.005 -19.532 872 HD1 HIS 114 HD1 HIS 114 23.670 0.874 -16.085 873 HD2 HIS 114 HD2 HIS 114 24.154 4.031 -18.742 874 HE1 HIS 114 HE1 HIS 114 24.578 2.774 -14.712 875 H HIS 115 H HIS 115 23.474 3.594 -20.536 876 HA HIS 115 HA HIS 115 22.912 2.939 -23.334 877 HB2 HIS 115 HB2 HIS 115 23.843 5.132 -23.857 878 HB3 HIS 115 HB3 HIS 115 22.604 5.280 -22.614 879 HD1 HIS 115 HD1 HIS 115 26.339 5.430 -23.069 880 HD2 HIS 115 HD2 HIS 115 23.462 6.333 -20.212 881 HE1 HIS 115 HE1 HIS 115 27.550 6.718 -21.280 882 H HIS 116 H HIS 116 25.070 3.814 -24.661 883 HA HIS 116 HA HIS 116 27.315 2.222 -23.612 884 HB2 HIS 116 HB2 HIS 116 26.208 2.290 -26.420 885 HB3 HIS 116 HB3 HIS 116 27.803 1.649 -26.036 886 HD1 HIS 116 HD1 HIS 116 24.170 0.874 -25.780 887 HD2 HIS 116 HD2 HIS 116 27.799 -0.815 -24.665 888 HE1 HIS 116 HE1 HIS 116 23.636 -1.494 -25.124 889 H2 B6D 117 H2 B6D 117 12.773 33.282 -0.204 890 H1 B6D 117 H1 B6D 117 10.579 35.392 -0.661 891 H3 B6D 117 H3 B6D 117 10.310 33.244 -2.019 892 HN2 B6D 117 HN2 B6D 117 12.206 34.977 -2.579 893 H5 B6D 117 H5 B6D 117 8.822 33.679 0.124 894 H8 B6D 117 H22 B6D 117 15.247 36.082 -2.819 895 H8A B6D 117 H21 B6D 117 13.911 35.622 -3.899 896 H8B B6D 117 H23 B6D 117 15.424 34.675 -3.897 897 H4 B6D 117 H4 B6D 117 11.039 31.594 0.450 898 HN4 B6D 117 HN4 B6D 117 8.845 31.362 -1.497 899 H9 B6D 117 H43 B6D 117 7.929 29.106 -1.635 900 H9A B6D 117 H41 B6D 117 7.790 28.168 -0.124 901 H9B B6D 117 H42 B6D 117 6.852 29.669 -0.324 902 H6 B6D 117 H62 B6D 117 9.425 33.209 2.859 903 H6A B6D 117 H63 B6D 117 7.935 32.766 2.002 904 H6B B6D 117 H61 B6D 117 9.262 31.599 2.130 905 H1 A2G 118 H1 A2G 118 10.108 31.519 -3.456 906 H2 A2G 118 H2 A2G 118 11.158 29.706 -4.807 907 H3 A2G 118 H3 A2G 118 13.427 30.009 -2.778 908 H4 A2G 118 H4 A2G 118 14.796 30.556 -4.707 909 H5 A2G 118 H5 A2G 118 13.726 32.368 -3.702 910 H61 A2G 118 H61 A2G 118 13.926 32.675 -6.643 911 H62 A2G 118 H62 A2G 118 14.784 33.490 -5.328 912 H81 A2G 118 H81 A2G 118 9.793 25.895 -2.463 913 H82 A2G 118 H82 A2G 118 8.501 27.091 -2.188 914 H83 A2G 118 H83 A2G 118 10.018 27.201 -1.259 915 HO3 A2G 118 HO3 A2G 118 14.337 28.234 -3.807 916 HO6 A2G 118 HO6 A2G 118 12.045 33.940 -6.006 917 HN2 A2G 118 HN2 A2G 118 10.793 29.241 -1.920 918 H1 A2G 119 H1 A2G 119 15.058 31.098 -7.027 919 H2 A2G 119 H2 A2G 119 14.470 30.486 -9.373 920 H3 A2G 119 H3 A2G 119 11.989 29.282 -8.050 921 H4 A2G 119 H4 A2G 119 12.760 27.185 -9.000 922 H5 A2G 119 H5 A2G 119 13.587 27.678 -6.875 923 H61 A2G 119 H61 A2G 119 16.138 26.677 -8.113 924 H62 A2G 119 H62 A2G 119 14.675 25.689 -7.997 925 H81 A2G 119 H81 A2G 119 12.725 34.547 -8.791 926 H82 A2G 119 H82 A2G 119 11.296 33.761 -9.510 927 H83 A2G 119 H83 A2G 119 12.488 34.561 -10.565 928 HO3 A2G 119 HO3 A2G 119 11.037 29.638 -9.854 929 HO6 A2G 119 HO6 A2G 119 14.774 26.501 -5.635 930 HN2 A2G 119 HN2 A2G 119 12.520 32.089 -7.847 931 H1 A2G 120 H1 A2G 120 14.276 25.871 -10.372 932 H2 A2G 120 H2 A2G 120 15.477 25.913 -12.556 933 H3 A2G 120 H3 A2G 120 15.638 28.915 -11.997 934 H4 A2G 120 H4 A2G 120 14.399 29.155 -14.071 935 H5 A2G 120 H5 A2G 120 13.091 28.922 -12.155 936 H61 A2G 120 H61 A2G 120 11.638 27.171 -14.137 937 H62 A2G 120 H62 A2G 120 11.728 28.937 -14.183 938 H81 A2G 120 H81 A2G 120 19.106 26.166 -10.044 939 H82 A2G 120 H82 A2G 120 19.263 24.420 -10.365 940 H83 A2G 120 H83 A2G 120 18.312 24.979 -8.966 941 HO6 A2G 120 HO6 A2G 120 9.836 27.998 -13.069 942 HN2 A2G 120 HN2 A2G 120 17.220 27.327 -10.666 943 H1 A2G 121 H1 A2G 121 12.935 28.080 -15.823 944 H2 A2G 121 H2 A2G 121 13.074 26.407 -17.666 945 H3 A2G 121 H3 A2G 121 15.114 25.077 -15.814 946 H4 A2G 121 H4 A2G 121 16.672 25.400 -17.646 947 H5 A2G 121 H5 A2G 121 16.535 27.172 -16.135 948 H61 A2G 121 H61 A2G 121 17.229 29.214 -17.291 949 H62 A2G 121 H62 A2G 121 16.654 28.528 -18.816 950 H81 A2G 121 H81 A2G 121 9.469 24.897 -15.375 951 H82 A2G 121 H82 A2G 121 10.743 23.742 -14.904 952 H83 A2G 121 H83 A2G 121 9.734 23.411 -16.334 953 HO3 A2G 121 HO3 A2G 121 13.514 24.043 -17.805 954 HO6 A2G 121 HO6 A2G 121 19.017 28.121 -17.633 955 HN2 A2G 121 HN2 A2G 121 12.416 25.385 -14.975 956 H1 A2G 122 H1 A2G 122 17.247 26.558 -19.769 957 H2 A2G 122 H2 A2G 122 16.530 26.787 -22.145 958 H3 A2G 122 H3 A2G 122 13.751 26.278 -20.976 959 H4 A2G 122 H4 A2G 122 13.721 24.341 -22.439 960 H5 A2G 122 H5 A2G 122 14.622 23.971 -20.320 961 H61 A2G 122 H61 A2G 122 15.468 22.244 -22.384 962 H62 A2G 122 H62 A2G 122 15.158 21.886 -20.679 963 H81 A2G 122 H81 A2G 122 16.511 31.398 -22.071 964 H82 A2G 122 H82 A2G 122 16.688 31.014 -20.339 965 H83 A2G 122 H83 A2G 122 15.093 30.862 -21.118 966 HO3 A2G 122 HO3 A2G 122 13.193 27.592 -22.510 967 HO6 A2G 122 HO6 A2G 122 17.628 22.654 -21.865 968 HN2 A2G 122 HN2 A2G 122 14.966 28.591 -20.394 969 H2 BGC 123 H2 BGC 123 18.762 28.573 -15.083 970 H3 BGC 123 H3 BGC 123 19.711 31.297 -14.110 971 H4 BGC 123 H4 BGC 123 18.044 30.912 -16.653 972 H5 BGC 123 H5 BGC 123 17.196 32.138 -13.975 973 H6C1 BGC 123 H61 BGC 123 14.920 32.303 -15.032 974 H6C2 BGC 123 H62 BGC 123 16.097 33.366 -15.827 975 H1 BGC 123 H1 BGC 123 17.470 30.014 -12.712 976 HB BGC 123 HO2 BGC 123 20.534 28.672 -13.678 977 HC BGC 123 HO3 BGC 123 20.754 31.121 -16.206 978 HD BGC 123 HO4 BGC 123 19.517 32.661 -16.635 979 H6 BGC 123 HO6 BGC 123 14.650 31.451 -16.950 Start of MODEL 10 1 H1 ASP 1 H ASP 1 1.733 -1.012 -0.100 2 HA ASP 1 HA ASP 1 4.145 -0.758 -1.040 3 HB2 ASP 1 HB2 ASP 1 2.134 -1.820 -2.224 4 HB3 ASP 1 HB3 ASP 1 1.928 -0.263 -3.020 5 H VAL 2 H VAL 2 3.852 1.675 0.227 6 HA VAL 2 HA VAL 2 4.583 3.521 -1.938 7 HB VAL 2 HB VAL 2 3.409 5.360 -0.925 8 HG11 VAL 2 HG11 VAL 2 1.246 3.349 -0.827 9 HG12 VAL 2 HG12 VAL 2 1.368 4.844 -1.756 10 HG13 VAL 2 HG13 VAL 2 2.212 3.395 -2.302 11 HG21 VAL 2 HG21 VAL 2 3.149 5.317 1.290 12 HG22 VAL 2 HG22 VAL 2 1.726 4.315 1.000 13 HG23 VAL 2 HG23 VAL 2 3.280 3.559 1.352 14 H ILE 3 H ILE 3 5.892 5.351 -1.203 15 HA ILE 3 HA ILE 3 7.359 4.778 1.286 16 HB ILE 3 HB ILE 3 8.491 5.523 -1.404 17 HG12 ILE 3 HG12 ILE 3 9.255 3.304 0.499 18 HG13 ILE 3 HG13 ILE 3 8.095 3.104 -0.809 19 HG21 ILE 3 HG21 ILE 3 9.544 6.975 0.198 20 HG22 ILE 3 HG22 ILE 3 9.835 5.623 1.291 21 HG23 ILE 3 HG23 ILE 3 10.682 5.705 -0.254 22 HD11 ILE 3 HD11 ILE 3 10.129 2.277 -1.623 23 HD12 ILE 3 HD12 ILE 3 9.942 3.868 -2.363 24 HD13 ILE 3 HD13 ILE 3 11.036 3.653 -0.996 25 H ILE 4 H ILE 4 7.460 6.433 2.652 26 HA ILE 4 HA ILE 4 6.263 8.936 2.044 27 HB ILE 4 HB ILE 4 7.891 8.019 4.411 28 HG12 ILE 4 HG12 ILE 4 4.936 8.529 4.002 29 HG13 ILE 4 HG13 ILE 4 5.708 6.960 4.202 30 HG21 ILE 4 HG21 ILE 4 8.211 10.395 4.212 31 HG22 ILE 4 HG22 ILE 4 6.481 10.648 3.983 32 HG23 ILE 4 HG23 ILE 4 7.091 10.078 5.537 33 HD11 ILE 4 HD11 ILE 4 4.767 8.807 6.190 34 HD12 ILE 4 HD12 ILE 4 5.286 7.131 6.365 35 HD13 ILE 4 HD13 ILE 4 6.473 8.433 6.437 36 H LYS 5 H LYS 5 7.194 10.323 0.682 37 HA LYS 5 HA LYS 5 10.010 11.031 1.150 38 HB2 LYS 5 HB2 LYS 5 8.650 10.603 -1.513 39 HB3 LYS 5 HB3 LYS 5 10.208 11.399 -1.333 40 HG2 LYS 5 HG2 LYS 5 11.274 9.459 -1.206 41 HG3 LYS 5 HG3 LYS 5 10.171 8.858 0.034 42 HD2 LYS 5 HD2 LYS 5 8.772 7.866 -1.498 43 HD3 LYS 5 HD3 LYS 5 9.234 8.974 -2.794 44 HE2 LYS 5 HE2 LYS 5 11.534 7.500 -1.976 45 HE3 LYS 5 HE3 LYS 5 10.214 6.370 -2.270 46 HZ1 LYS 5 HZ1 LYS 5 11.734 7.092 -4.212 47 HZ2 LYS 5 HZ2 LYS 5 10.784 8.491 -4.228 48 HZ3 LYS 5 HZ3 LYS 5 10.065 6.978 -4.468 49 HA PRO 6 HA PRO 6 8.661 15.207 1.285 50 HB2 PRO 6 HB2 PRO 6 10.839 16.491 0.295 51 HB3 PRO 6 HB3 PRO 6 10.806 15.753 1.901 52 HG2 PRO 6 HG2 PRO 6 11.951 14.687 -0.650 53 HG3 PRO 6 HG3 PRO 6 12.636 14.649 0.985 54 HD2 PRO 6 HD2 PRO 6 11.404 12.509 -0.128 55 HD3 PRO 6 HD3 PRO 6 11.355 12.839 1.615 56 H GLN 7 H GLN 7 9.053 17.317 -0.271 57 HA GLN 7 HA GLN 7 8.133 16.498 -2.948 58 HB2 GLN 7 HB2 GLN 7 6.846 18.710 -2.895 59 HB3 GLN 7 HB3 GLN 7 6.218 17.388 -1.919 60 HG2 GLN 7 HG2 GLN 7 8.096 19.220 -0.576 61 HG3 GLN 7 HG3 GLN 7 6.525 19.888 -1.015 62 HE21 GLN 7 HE21 GLN 7 5.804 20.080 1.074 63 HE22 GLN 7 HE22 GLN 7 5.419 18.720 2.067 64 H VAL 8 H VAL 8 10.676 17.734 -1.411 65 HA VAL 8 HA VAL 8 11.585 19.164 -3.772 66 HB VAL 8 HB VAL 8 12.367 21.117 -2.534 67 HG11 VAL 8 HG11 VAL 8 10.202 22.193 -2.151 68 HG12 VAL 8 HG12 VAL 8 10.188 21.222 -3.624 69 HG13 VAL 8 HG13 VAL 8 9.416 20.615 -2.159 70 HG21 VAL 8 HG21 VAL 8 10.863 21.053 -0.171 71 HG22 VAL 8 HG22 VAL 8 11.683 19.494 -0.262 72 HG23 VAL 8 HG23 VAL 8 12.618 20.988 -0.328 73 H SER 9 H SER 9 13.951 19.885 -3.407 74 HA SER 9 HA SER 9 15.352 17.594 -2.249 75 HB2 SER 9 HB2 SER 9 16.778 19.713 -3.797 76 HB3 SER 9 HB3 SER 9 17.051 17.971 -3.763 77 HG SER 9 HG SER 9 15.893 19.158 -5.656 78 H GLY 10 H GLY 10 16.678 17.730 -0.529 79 HA2 GLY 10 HA2 GLY 10 17.980 20.093 0.326 80 HA3 GLY 10 HA3 GLY 10 16.516 19.853 1.269 81 H VAL 11 H VAL 11 17.217 19.215 3.214 82 HA VAL 11 HA VAL 11 18.623 16.672 3.379 83 HB VAL 11 HB VAL 11 20.387 18.459 3.401 84 HG11 VAL 11 HG11 VAL 11 19.961 19.222 6.155 85 HG12 VAL 11 HG12 VAL 11 20.265 20.232 4.741 86 HG13 VAL 11 HG13 VAL 11 18.620 19.732 5.130 87 HG21 VAL 11 HG21 VAL 11 20.930 17.517 5.998 88 HG22 VAL 11 HG22 VAL 11 20.010 16.251 5.183 89 HG23 VAL 11 HG23 VAL 11 21.502 16.859 4.465 90 H ILE 12 H ILE 12 18.169 15.520 5.222 91 HA ILE 12 HA ILE 12 15.783 16.040 6.571 92 HB ILE 12 HB ILE 12 18.069 14.286 7.477 93 HG12 ILE 12 HG12 ILE 12 17.143 13.785 5.205 94 HG13 ILE 12 HG13 ILE 12 16.928 12.480 6.365 95 HG21 ILE 12 HG21 ILE 12 16.507 14.805 9.284 96 HG22 ILE 12 HG22 ILE 12 15.163 14.262 8.281 97 HG23 ILE 12 HG23 ILE 12 16.394 13.112 8.804 98 HD11 ILE 12 HD11 ILE 12 14.827 14.468 5.536 99 HD12 ILE 12 HD12 ILE 12 14.943 12.788 5.008 100 HD13 ILE 12 HD13 ILE 12 14.610 13.161 6.698 101 H VAL 13 H VAL 13 15.260 17.030 8.450 102 HA VAL 13 HA VAL 13 17.445 18.383 9.896 103 HB VAL 13 HB VAL 13 14.616 19.347 10.032 104 HG11 VAL 13 HG11 VAL 13 15.527 21.057 11.124 105 HG12 VAL 13 HG12 VAL 13 17.045 20.156 11.128 106 HG13 VAL 13 HG13 VAL 13 16.713 21.322 9.846 107 HG21 VAL 13 HG21 VAL 13 14.755 19.352 7.725 108 HG22 VAL 13 HG22 VAL 13 15.381 20.951 8.130 109 HG23 VAL 13 HG23 VAL 13 16.494 19.644 7.724 110 H ASN 14 H ASN 14 14.401 16.636 10.208 111 HA ASN 14 HA ASN 14 15.180 15.686 12.816 112 HB2 ASN 14 HB2 ASN 14 13.817 18.011 12.891 113 HB3 ASN 14 HB3 ASN 14 12.466 16.882 12.844 114 HD21 ASN 14 HD21 ASN 14 11.795 16.111 14.710 115 HD22 ASN 14 HD22 ASN 14 12.698 16.086 16.182 116 H LYS 15 H LYS 15 13.431 14.194 13.715 117 HA LYS 15 HA LYS 15 11.802 12.982 11.606 118 HB2 LYS 15 HB2 LYS 15 12.595 10.706 12.497 119 HB3 LYS 15 HB3 LYS 15 13.683 11.595 11.438 120 HG2 LYS 15 HG2 LYS 15 15.074 12.228 13.228 121 HG3 LYS 15 HG3 LYS 15 13.875 11.746 14.430 122 HD2 LYS 15 HD2 LYS 15 15.179 9.810 12.526 123 HD3 LYS 15 HD3 LYS 15 15.819 10.168 14.131 124 HE2 LYS 15 HE2 LYS 15 13.100 9.028 13.492 125 HE3 LYS 15 HE3 LYS 15 14.463 8.154 14.188 126 HZ1 LYS 15 HZ1 LYS 15 13.109 8.694 15.990 127 HZ2 LYS 15 HZ2 LYS 15 12.809 10.263 15.434 128 HZ3 LYS 15 HZ3 LYS 15 14.333 9.861 16.045 129 H LEU 16 H LEU 16 9.869 13.455 12.528 130 HA LEU 16 HA LEU 16 9.441 12.710 15.333 131 HB2 LEU 16 HB2 LEU 16 7.467 14.175 13.623 132 HB3 LEU 16 HB3 LEU 16 7.624 14.173 15.378 133 HG LEU 16 HG LEU 16 9.914 15.351 14.857 134 HD11 LEU 16 HD11 LEU 16 10.280 15.951 12.757 135 HD12 LEU 16 HD12 LEU 16 8.754 16.834 12.722 136 HD13 LEU 16 HD13 LEU 16 8.795 15.130 12.271 137 HD21 LEU 16 HD21 LEU 16 8.014 16.293 16.117 138 HD22 LEU 16 HD22 LEU 16 7.284 16.806 14.595 139 HD23 LEU 16 HD23 LEU 16 8.824 17.493 15.111 140 H PHE 17 H PHE 17 9.628 10.455 14.153 141 HA PHE 17 HA PHE 17 6.883 9.492 13.913 142 HB2 PHE 17 HB2 PHE 17 7.054 8.611 11.813 143 HB3 PHE 17 HB3 PHE 17 8.169 9.959 11.614 144 HD1 PHE 17 HD1 PHE 17 10.657 9.484 12.079 145 HD2 PHE 17 HD2 PHE 17 7.756 6.450 11.380 146 HE1 PHE 17 HE1 PHE 17 12.451 7.913 11.473 147 HE2 PHE 17 HE2 PHE 17 9.545 4.874 10.773 148 HZ PHE 17 HZ PHE 17 11.896 5.604 10.821 149 H LYS 18 H LYS 18 6.834 7.047 13.910 150 HA LYS 18 HA LYS 18 9.078 5.945 15.466 151 HB2 LYS 18 HB2 LYS 18 6.133 5.494 15.988 152 HB3 LYS 18 HB3 LYS 18 7.450 4.692 16.834 153 HG2 LYS 18 HG2 LYS 18 7.034 6.336 18.330 154 HG3 LYS 18 HG3 LYS 18 8.166 7.209 17.296 155 HD2 LYS 18 HD2 LYS 18 6.462 8.415 16.249 156 HD3 LYS 18 HD3 LYS 18 5.215 7.277 16.762 157 HE2 LYS 18 HE2 LYS 18 6.595 8.435 19.025 158 HE3 LYS 18 HE3 LYS 18 5.903 9.681 17.987 159 HZ1 LYS 18 HZ1 LYS 18 4.358 7.346 18.961 160 HZ2 LYS 18 HZ2 LYS 18 3.761 8.742 18.218 161 HZ3 LYS 18 HZ3 LYS 18 4.408 8.825 19.779 162 H ALA 19 H ALA 19 9.297 3.621 15.359 163 HA ALA 19 HA ALA 19 8.617 2.616 12.719 164 HB1 ALA 19 HB1 ALA 19 10.092 0.889 14.603 165 HB2 ALA 19 HB2 ALA 19 10.407 1.251 12.906 166 HB3 ALA 19 HB3 ALA 19 10.876 2.404 14.155 167 H GLY 20 H GLY 20 6.761 1.580 12.415 168 HA2 GLY 20 HA2 GLY 20 5.310 -0.250 12.694 169 HA3 GLY 20 HA3 GLY 20 5.968 -0.499 14.303 170 H ASP 21 H ASP 21 5.017 2.691 13.374 171 HA ASP 21 HA ASP 21 2.691 2.471 15.165 172 HB2 ASP 21 HB2 ASP 21 4.845 4.376 15.001 173 HB3 ASP 21 HB3 ASP 21 3.304 5.192 14.747 174 H LYS 22 H LYS 22 1.008 4.256 14.659 175 HA LYS 22 HA LYS 22 0.242 3.892 11.874 176 HB2 LYS 22 HB2 LYS 22 -1.148 4.377 14.401 177 HB3 LYS 22 HB3 LYS 22 -1.773 5.347 13.075 178 HG2 LYS 22 HG2 LYS 22 -1.524 2.840 11.962 179 HG3 LYS 22 HG3 LYS 22 -2.066 2.510 13.609 180 HD2 LYS 22 HD2 LYS 22 -4.072 3.579 13.308 181 HD3 LYS 22 HD3 LYS 22 -3.431 4.664 12.072 182 HE2 LYS 22 HE2 LYS 22 -3.957 3.258 10.410 183 HE3 LYS 22 HE3 LYS 22 -3.375 1.850 11.298 184 HZ1 LYS 22 HZ1 LYS 22 -5.824 2.983 12.323 185 HZ2 LYS 22 HZ2 LYS 22 -5.420 1.368 12.024 186 HZ3 LYS 22 HZ3 LYS 22 -5.956 2.354 10.758 187 H VAL 23 H VAL 23 -0.283 5.587 10.471 188 HA VAL 23 HA VAL 23 0.839 8.203 11.239 189 HB VAL 23 HB VAL 23 0.615 7.224 8.402 190 HG11 VAL 23 HG11 VAL 23 2.384 9.300 9.689 191 HG12 VAL 23 HG12 VAL 23 2.297 8.917 7.969 192 HG13 VAL 23 HG13 VAL 23 0.908 9.635 8.785 193 HG21 VAL 23 HG21 VAL 23 2.919 6.852 10.311 194 HG22 VAL 23 HG22 VAL 23 1.975 5.588 9.525 195 HG23 VAL 23 HG23 VAL 23 3.022 6.630 8.564 196 H LYS 24 H LYS 24 -0.185 10.089 10.427 197 HA LYS 24 HA LYS 24 -2.994 9.672 9.635 198 HB2 LYS 24 HB2 LYS 24 -3.152 10.571 11.781 199 HB3 LYS 24 HB3 LYS 24 -1.749 11.607 11.557 200 HG2 LYS 24 HG2 LYS 24 -3.743 12.947 11.618 201 HG3 LYS 24 HG3 LYS 24 -3.053 12.993 9.995 202 HD2 LYS 24 HD2 LYS 24 -4.667 11.182 9.358 203 HD3 LYS 24 HD3 LYS 24 -5.433 11.399 10.934 204 HE2 LYS 24 HE2 LYS 24 -5.017 13.835 9.309 205 HE3 LYS 24 HE3 LYS 24 -6.222 12.691 8.721 206 HZ1 LYS 24 HZ1 LYS 24 -6.163 13.977 11.396 207 HZ2 LYS 24 HZ2 LYS 24 -7.268 12.784 10.934 208 HZ3 LYS 24 HZ3 LYS 24 -7.268 14.284 10.151 209 H LYS 25 H LYS 25 -3.583 10.516 7.750 210 HA LYS 25 HA LYS 25 -1.865 11.660 5.927 211 HB2 LYS 25 HB2 LYS 25 -4.197 12.686 5.061 212 HB3 LYS 25 HB3 LYS 25 -3.748 11.001 4.844 213 HG2 LYS 25 HG2 LYS 25 -5.250 10.255 6.375 214 HG3 LYS 25 HG3 LYS 25 -5.158 11.726 7.347 215 HD2 LYS 25 HD2 LYS 25 -7.328 11.604 6.308 216 HD3 LYS 25 HD3 LYS 25 -6.412 12.919 5.569 217 HE2 LYS 25 HE2 LYS 25 -5.848 10.584 4.089 218 HE3 LYS 25 HE3 LYS 25 -7.593 10.624 4.337 219 HZ1 LYS 25 HZ1 LYS 25 -7.279 13.101 3.623 220 HZ2 LYS 25 HZ2 LYS 25 -7.395 11.880 2.459 221 HZ3 LYS 25 HZ3 LYS 25 -5.881 12.506 2.879 222 H GLY 26 H GLY 26 -0.623 13.358 6.576 223 HA2 GLY 26 HA2 GLY 26 -0.516 15.774 6.339 224 HA3 GLY 26 HA3 GLY 26 -2.075 15.863 7.146 225 H GLN 27 H GLN 27 0.063 13.584 8.492 226 HA GLN 27 HA GLN 27 0.494 15.358 10.782 227 HB2 GLN 27 HB2 GLN 27 -0.504 12.899 10.816 228 HB3 GLN 27 HB3 GLN 27 1.198 12.461 10.861 229 HG2 GLN 27 HG2 GLN 27 0.602 14.552 12.759 230 HG3 GLN 27 HG3 GLN 27 -0.416 13.135 13.012 231 HE21 GLN 27 HE21 GLN 27 1.186 11.076 12.380 232 HE22 GLN 27 HE22 GLN 27 2.553 11.016 13.433 233 H THR 28 H THR 28 2.443 16.124 11.294 234 HA THR 28 HA THR 28 4.634 15.906 9.562 235 HB THR 28 HB THR 28 4.699 16.732 12.470 236 HG1 THR 28 HG1 THR 28 3.827 18.558 11.836 237 HG21 THR 28 HG21 THR 28 6.926 16.432 11.735 238 HG22 THR 28 HG22 THR 28 6.615 18.164 11.604 239 HG23 THR 28 HG23 THR 28 6.584 17.150 10.161 240 H LEU 29 H LEU 29 6.047 14.319 9.282 241 HA LEU 29 HA LEU 29 6.584 12.496 11.534 242 HB2 LEU 29 HB2 LEU 29 6.534 11.796 8.603 243 HB3 LEU 29 HB3 LEU 29 6.877 10.691 9.932 244 HG LEU 29 HG LEU 29 4.259 12.072 9.988 245 HD11 LEU 29 HD11 LEU 29 4.996 11.050 7.582 246 HD12 LEU 29 HD12 LEU 29 3.337 11.139 8.172 247 HD13 LEU 29 HD13 LEU 29 4.257 9.644 8.348 248 HD21 LEU 29 HD21 LEU 29 5.338 10.221 11.543 249 HD22 LEU 29 HD22 LEU 29 4.664 9.148 10.314 250 HD23 LEU 29 HD23 LEU 29 3.609 10.253 11.196 251 H PHE 30 H PHE 30 7.846 14.321 8.848 252 HA PHE 30 HA PHE 30 10.540 13.979 9.931 253 HB2 PHE 30 HB2 PHE 30 9.758 13.492 7.056 254 HB3 PHE 30 HB3 PHE 30 11.418 13.781 7.564 255 HD1 PHE 30 HD2 PHE 30 8.572 11.462 7.790 256 HD2 PHE 30 HD1 PHE 30 12.697 12.089 8.635 257 HE1 PHE 30 HE2 PHE 30 8.830 9.067 8.291 258 HE2 PHE 30 HE1 PHE 30 12.961 9.696 9.137 259 HZ PHE 30 HZ PHE 30 11.026 8.181 8.966 260 H ILE 31 H ILE 31 12.067 15.493 8.501 261 HA ILE 31 HA ILE 31 10.731 17.948 7.705 262 HB ILE 31 HB ILE 31 12.745 17.943 9.956 263 HG12 ILE 31 HG12 ILE 31 9.785 18.570 9.934 264 HG13 ILE 31 HG13 ILE 31 10.553 17.194 10.717 265 HG21 ILE 31 HG21 ILE 31 12.372 20.347 10.040 266 HG22 ILE 31 HG22 ILE 31 12.972 19.863 8.454 267 HG23 ILE 31 HG23 ILE 31 11.262 20.234 8.675 268 HD11 ILE 31 HD11 ILE 31 10.656 18.412 12.558 269 HD12 ILE 31 HD12 ILE 31 11.842 19.437 11.750 270 HD13 ILE 31 HD13 ILE 31 10.131 19.858 11.697 271 H ILE 32 H ILE 32 11.859 19.083 6.208 272 HA ILE 32 HA ILE 32 14.687 18.461 5.785 273 HB ILE 32 HB ILE 32 12.507 18.086 3.753 274 HG12 ILE 32 HG12 ILE 32 14.910 16.346 4.006 275 HG13 ILE 32 HG13 ILE 32 13.716 16.274 5.298 276 HG21 ILE 32 HG21 ILE 32 14.569 17.806 2.166 277 HG22 ILE 32 HG22 ILE 32 13.872 19.399 2.455 278 HG23 ILE 32 HG23 ILE 32 15.337 18.910 3.306 279 HD11 ILE 32 HD11 ILE 32 12.184 15.246 4.003 280 HD12 ILE 32 HD12 ILE 32 12.688 16.090 2.539 281 HD13 ILE 32 HD13 ILE 32 13.627 14.722 3.136 282 H GLU 33 H GLU 33 15.884 20.150 5.045 283 HA GLU 33 HA GLU 33 14.451 22.690 4.670 284 HB2 GLU 33 HB2 GLU 33 16.362 23.821 5.479 285 HB3 GLU 33 HB3 GLU 33 16.145 22.442 6.546 286 HG2 GLU 33 HG2 GLU 33 17.809 21.404 4.670 287 HG3 GLU 33 HG3 GLU 33 18.336 23.086 4.718 288 H GLN 34 H GLN 34 14.571 23.764 2.794 289 HA GLN 34 HA GLN 34 16.503 22.812 0.783 290 HB2 GLN 34 HB2 GLN 34 14.808 23.351 -0.940 291 HB3 GLN 34 HB3 GLN 34 14.284 22.080 0.156 292 HG2 GLN 34 HG2 GLN 34 13.482 24.710 1.071 293 HG3 GLN 34 HG3 GLN 34 12.871 24.345 -0.541 294 HE21 GLN 34 HE21 GLN 34 13.497 22.111 2.110 295 HE22 GLN 34 HE22 GLN 34 11.861 21.591 2.301 296 H ASP 35 H ASP 35 15.226 25.448 2.518 297 HA ASP 35 HA ASP 35 15.849 27.639 2.622 298 HB2 ASP 35 HB2 ASP 35 18.028 27.942 2.230 299 HB3 ASP 35 HB3 ASP 35 18.070 26.363 1.451 300 H GLN 36 H GLN 36 14.350 26.189 0.143 301 HA GLN 36 HA GLN 36 14.202 28.491 -1.631 302 HB2 GLN 36 HB2 GLN 36 14.333 26.166 -2.529 303 HB3 GLN 36 HB3 GLN 36 12.754 25.847 -1.825 304 HG2 GLN 36 HG2 GLN 36 12.558 28.209 -3.381 305 HG3 GLN 36 HG3 GLN 36 13.375 26.979 -4.344 306 HE21 GLN 36 HE21 GLN 36 12.216 24.686 -3.597 307 HE22 GLN 36 HE22 GLN 36 10.527 24.700 -3.957 308 H ALA 37 H ALA 37 12.768 27.602 1.190 309 HA ALA 37 HA ALA 37 10.130 28.675 0.489 310 HB1 ALA 37 HB1 ALA 37 11.140 26.848 2.562 311 HB2 ALA 37 HB2 ALA 37 9.890 27.976 3.088 312 HB3 ALA 37 HB3 ALA 37 9.582 26.884 1.737 313 H SER 38 H SER 38 13.001 29.887 1.389 314 HA SER 38 HA SER 38 11.973 31.780 3.363 315 HB2 SER 38 HB2 SER 38 14.249 32.394 3.773 316 HB3 SER 38 HB3 SER 38 14.213 30.634 3.654 317 HG SER 38 HG SER 38 15.845 32.037 2.389 318 H LYS 39 H LYS 39 10.945 31.948 0.720 319 HA LYS 39 HA LYS 39 12.189 34.409 -0.302 320 HB2 LYS 39 HB2 LYS 39 11.486 33.860 -2.419 321 HB3 LYS 39 HB3 LYS 39 11.708 32.252 -1.741 322 HG2 LYS 39 HG2 LYS 39 9.093 33.728 -1.964 323 HG3 LYS 39 HG3 LYS 39 9.633 32.399 -2.993 324 HD2 LYS 39 HD2 LYS 39 9.663 30.902 -1.076 325 HD3 LYS 39 HD3 LYS 39 9.197 32.230 -0.011 326 HE2 LYS 39 HE2 LYS 39 7.042 31.974 -0.511 327 HE3 LYS 39 HE3 LYS 39 7.378 31.983 -2.243 328 HZ1 LYS 39 HZ1 LYS 39 7.198 29.783 -2.342 329 HZ2 LYS 39 HZ2 LYS 39 6.523 29.845 -0.792 330 HZ3 LYS 39 HZ3 LYS 39 8.177 29.541 -0.983 331 H ASP 40 H ASP 40 9.849 33.563 1.765 332 HA ASP 40 HA ASP 40 8.612 36.056 1.851 333 HB2 ASP 40 HB2 ASP 40 7.629 34.637 -0.297 334 HB3 ASP 40 HB3 ASP 40 6.447 34.293 0.964 335 H PHE 41 H PHE 41 9.690 34.122 3.621 336 HA PHE 41 HA PHE 41 7.445 33.889 5.461 337 HB2 PHE 41 HB2 PHE 41 9.126 31.543 4.571 338 HB3 PHE 41 HB3 PHE 41 8.147 31.527 6.035 339 HD1 PHE 41 HD2 PHE 41 8.103 31.493 2.383 340 HD2 PHE 41 HD1 PHE 41 5.735 31.449 5.920 341 HE1 PHE 41 HE2 PHE 41 6.150 30.791 1.063 342 HE2 PHE 41 HE1 PHE 41 3.778 30.746 4.605 343 HZ PHE 41 HZ PHE 41 3.983 30.418 2.173 344 H ASN 42 H ASN 42 10.902 33.176 5.002 345 HA ASN 42 HA ASN 42 11.719 33.165 7.634 346 HB2 ASN 42 HB2 ASN 42 13.928 33.566 6.848 347 HB3 ASN 42 HB3 ASN 42 13.112 32.668 5.572 348 HD21 ASN 42 HD21 ASN 42 14.579 35.638 6.488 349 H ARG 43 H ARG 43 11.896 34.636 9.200 350 HA ARG 43 HA ARG 43 11.016 37.336 8.709 351 HB2 ARG 43 HB2 ARG 43 11.281 35.583 10.986 352 HB3 ARG 43 HB3 ARG 43 12.006 37.147 11.334 353 HG2 ARG 43 HG2 ARG 43 9.784 38.091 10.365 354 HG3 ARG 43 HG3 ARG 43 9.170 36.473 10.712 355 HD2 ARG 43 HD2 ARG 43 8.697 37.790 12.620 356 HD3 ARG 43 HD3 ARG 43 10.065 36.762 13.050 357 HE ARG 43 HE ARG 43 10.902 39.301 12.056 358 HH11 ARG 43 HH11 ARG 43 9.691 37.651 14.873 359 HH12 ARG 43 HH12 ARG 43 10.397 38.770 15.992 360 HH21 ARG 43 HH21 ARG 43 11.836 40.780 13.520 361 HH22 ARG 43 HH22 ARG 43 11.616 40.550 15.221 362 H SER 44 H SER 44 13.890 35.869 8.237 363 HA SER 44 HA SER 44 16.011 36.617 7.888 364 HB2 SER 44 HB2 SER 44 15.608 38.491 6.673 365 HB3 SER 44 HB3 SER 44 14.381 39.074 7.797 366 HG SER 44 HG SER 44 16.137 40.447 7.902 367 H LYS 45 H LYS 45 17.845 36.978 9.091 368 HA LYS 45 HA LYS 45 17.399 37.338 11.961 369 HB2 LYS 45 HB2 LYS 45 19.547 36.065 10.311 370 HB3 LYS 45 HB3 LYS 45 19.934 36.623 11.934 371 HG2 LYS 45 HG2 LYS 45 19.379 34.372 12.192 372 HG3 LYS 45 HG3 LYS 45 17.935 35.246 12.706 373 HD2 LYS 45 HD2 LYS 45 17.275 33.398 11.312 374 HD3 LYS 45 HD3 LYS 45 16.984 34.903 10.438 375 HE2 LYS 45 HE2 LYS 45 18.026 33.071 9.080 376 HE3 LYS 45 HE3 LYS 45 18.919 34.590 9.091 377 HZ1 LYS 45 HZ1 LYS 45 20.260 32.495 9.401 378 HZ2 LYS 45 HZ2 LYS 45 19.560 32.365 10.936 379 HZ3 LYS 45 HZ3 LYS 45 20.512 33.711 10.552 380 H ALA 46 H ALA 46 19.668 38.440 9.443 381 HA ALA 46 HA ALA 46 20.357 40.739 11.127 382 HB1 ALA 46 HB1 ALA 46 21.932 39.067 9.606 383 HB2 ALA 46 HB2 ALA 46 21.796 40.516 8.609 384 HB3 ALA 46 HB3 ALA 46 22.410 40.636 10.258 385 H LEU 47 H LEU 47 20.696 42.838 9.942 386 HA LEU 47 HA LEU 47 18.987 43.231 7.622 387 HB2 LEU 47 HB2 LEU 47 18.502 44.541 10.287 388 HB3 LEU 47 HB3 LEU 47 17.848 45.163 8.772 389 HG LEU 47 HG LEU 47 16.997 42.560 8.743 390 HD11 LEU 47 HD11 LEU 47 17.827 42.245 11.043 391 HD12 LEU 47 HD12 LEU 47 16.078 42.061 10.917 392 HD13 LEU 47 HD13 LEU 47 16.764 43.543 11.583 393 HD21 LEU 47 HD21 LEU 47 15.594 44.986 9.859 394 HD22 LEU 47 HD22 LEU 47 14.805 43.502 9.324 395 HD23 LEU 47 HD23 LEU 47 15.671 44.510 8.162 396 H PHE 48 H PHE 48 20.160 44.382 6.252 397 HA PHE 48 HA PHE 48 21.842 45.715 5.447 398 HB2 PHE 48 HB2 PHE 48 21.618 48.070 6.123 399 HB3 PHE 48 HB3 PHE 48 20.047 47.332 5.833 400 HD1 PHE 48 HD1 PHE 48 22.354 48.583 8.399 401 HD2 PHE 48 HD2 PHE 48 18.464 47.050 7.599 402 HE1 PHE 48 HE1 PHE 48 21.619 49.288 10.639 403 HE2 PHE 48 HE2 PHE 48 17.723 47.753 9.837 404 HZ PHE 48 HZ PHE 48 19.301 48.875 11.361 405 H SER 49 H SER 49 23.373 47.721 6.571 406 HA SER 49 HA SER 49 25.271 48.107 7.769 407 HB2 SER 49 HB2 SER 49 23.537 46.679 9.609 408 HB3 SER 49 HB3 SER 49 25.236 46.323 9.920 409 HG SER 49 HG SER 49 24.304 48.240 10.987 410 H GLN 50 H GLN 50 27.373 47.307 7.938 411 HA GLN 50 HA GLN 50 29.102 46.044 7.129 412 HB2 GLN 50 HB2 GLN 50 29.344 43.935 8.210 413 HB3 GLN 50 HB3 GLN 50 28.493 44.987 9.332 414 HG2 GLN 50 HG2 GLN 50 26.444 43.903 8.965 415 HG3 GLN 50 HG3 GLN 50 27.045 43.085 7.522 416 HE21 GLN 50 HE21 GLN 50 25.879 41.464 9.161 417 HE22 GLN 50 HE22 GLN 50 26.992 40.536 10.102 418 H SER 51 H SER 51 29.252 43.364 6.353 419 HA SER 51 HA SER 51 28.236 43.561 3.678 420 HB2 SER 51 HB2 SER 51 29.584 41.184 4.977 421 HB3 SER 51 HB3 SER 51 29.449 41.521 3.251 422 HG SER 51 HG SER 51 30.937 42.967 5.184 423 H ALA 52 H ALA 52 25.976 43.684 4.853 424 HA ALA 52 HA ALA 52 24.687 41.436 5.831 425 HB1 ALA 52 HB1 ALA 52 23.690 43.639 5.936 426 HB2 ALA 52 HB2 ALA 52 23.533 43.679 4.179 427 HB3 ALA 52 HB3 ALA 52 22.594 42.522 5.122 428 H ILE 53 H ILE 53 25.140 42.472 2.478 429 HA ILE 53 HA ILE 53 24.664 39.742 1.594 430 HB ILE 53 HB ILE 53 23.031 42.071 0.587 431 HG12 ILE 53 HG12 ILE 53 22.270 39.430 1.852 432 HG13 ILE 53 HG13 ILE 53 22.140 41.018 2.599 433 HG21 ILE 53 HG21 ILE 53 23.273 39.283 -0.535 434 HG22 ILE 53 HG22 ILE 53 22.083 40.482 -1.039 435 HG23 ILE 53 HG23 ILE 53 23.801 40.777 -1.308 436 HD11 ILE 53 HD11 ILE 53 20.600 40.048 0.204 437 HD12 ILE 53 HD12 ILE 53 19.980 40.254 1.843 438 HD13 ILE 53 HD13 ILE 53 20.488 41.661 0.909 439 H SER 54 H SER 54 24.701 42.851 -0.129 440 HA SER 54 HA SER 54 26.075 43.686 -1.738 441 HB2 SER 54 HB2 SER 54 27.766 42.710 0.290 442 HB3 SER 54 HB3 SER 54 28.476 42.168 -1.231 443 HG SER 54 HG SER 54 28.374 44.660 -0.167 444 H GLN 55 H GLN 55 25.097 42.823 -3.535 445 HA GLN 55 HA GLN 55 25.195 40.208 -4.436 446 HB2 GLN 55 HB2 GLN 55 23.844 42.232 -5.317 447 HB3 GLN 55 HB3 GLN 55 25.242 42.530 -6.343 448 HG2 GLN 55 HG2 GLN 55 24.636 40.947 -7.767 449 HG3 GLN 55 HG3 GLN 55 24.424 39.768 -6.473 450 HE21 GLN 55 HE21 GLN 55 22.782 42.791 -7.350 451 HE22 GLN 55 HE22 GLN 55 21.193 42.114 -7.393 452 H LYS 56 H LYS 56 27.658 42.611 -4.451 453 HA LYS 56 HA LYS 56 29.275 41.969 -6.561 454 HB2 LYS 56 HB2 LYS 56 31.206 42.524 -4.978 455 HB3 LYS 56 HB3 LYS 56 29.968 43.755 -5.197 456 HG2 LYS 56 HG2 LYS 56 28.941 43.131 -3.090 457 HG3 LYS 56 HG3 LYS 56 30.125 41.840 -2.877 458 HD2 LYS 56 HD2 LYS 56 30.831 44.762 -3.123 459 HD3 LYS 56 HD3 LYS 56 30.623 43.921 -1.586 460 HE2 LYS 56 HE2 LYS 56 32.352 42.248 -2.726 461 HE3 LYS 56 HE3 LYS 56 32.797 43.715 -3.597 462 HZ1 LYS 56 HZ1 LYS 56 33.954 44.350 -1.839 463 HZ2 LYS 56 HZ2 LYS 56 33.495 42.962 -0.989 464 HZ3 LYS 56 HZ3 LYS 56 32.552 44.363 -0.892 465 H GLU 57 H GLU 57 29.087 40.296 -3.439 466 HA GLU 57 HA GLU 57 30.055 37.866 -4.690 467 HB2 GLU 57 HB2 GLU 57 31.504 39.045 -2.313 468 HB3 GLU 57 HB3 GLU 57 31.851 37.502 -3.081 469 HG2 GLU 57 HG2 GLU 57 32.405 38.730 -5.166 470 HG3 GLU 57 HG3 GLU 57 32.203 40.239 -4.277 471 H TYR 58 H TYR 58 27.604 38.874 -3.385 472 HA TYR 58 HA TYR 58 27.169 37.997 -0.823 473 HB2 TYR 58 HB2 TYR 58 24.874 38.007 -1.305 474 HB3 TYR 58 HB3 TYR 58 25.549 39.141 -2.469 475 HD1 TYR 58 HD1 TYR 58 26.542 37.552 -4.620 476 HD2 TYR 58 HD2 TYR 58 23.077 36.905 -2.238 477 HE1 TYR 58 HE1 TYR 58 25.523 36.275 -6.460 478 HE2 TYR 58 HE2 TYR 58 22.049 35.624 -4.070 479 HH TYR 58 HH TYR 58 22.322 34.778 -6.104 480 H ASP 59 H ASP 59 26.450 36.071 0.123 481 HA ASP 59 HA ASP 59 26.837 33.641 -1.495 482 HB2 ASP 59 HB2 ASP 59 27.594 33.822 1.418 483 HB3 ASP 59 HB3 ASP 59 28.030 32.574 0.252 484 H SER 60 H SER 60 26.198 31.787 0.470 485 HA SER 60 HA SER 60 23.318 32.141 0.581 486 HB2 SER 60 HB2 SER 60 25.064 29.927 0.297 487 HB3 SER 60 HB3 SER 60 24.179 29.693 1.805 488 HG SER 60 HG SER 60 22.623 29.046 0.558 489 H SER 61 H SER 61 26.023 32.420 2.658 490 HA SER 61 HA SER 61 25.024 31.762 5.148 491 HB2 SER 61 HB2 SER 61 27.293 33.078 4.167 492 HB3 SER 61 HB3 SER 61 26.553 34.221 5.287 493 HG SER 61 HG SER 61 27.045 32.956 6.904 494 H LEU 62 H LEU 62 24.445 34.634 3.213 495 HA LEU 62 HA LEU 62 23.130 36.118 5.255 496 HB2 LEU 62 HB2 LEU 62 22.433 37.601 3.475 497 HB3 LEU 62 HB3 LEU 62 24.135 37.178 3.296 498 HG LEU 62 HG LEU 62 22.909 35.323 1.698 499 HD11 LEU 62 HD11 LEU 62 21.568 37.747 0.741 500 HD12 LEU 62 HD12 LEU 62 20.872 37.045 2.200 501 HD13 LEU 62 HD13 LEU 62 21.026 36.069 0.739 502 HD21 LEU 62 HD21 LEU 62 23.766 36.648 -0.149 503 HD22 LEU 62 HD22 LEU 62 24.910 36.652 1.194 504 HD23 LEU 62 HD23 LEU 62 23.891 38.061 0.899 505 H ALA 63 H ALA 63 22.047 33.927 2.714 506 HA ALA 63 HA ALA 63 19.269 34.375 3.075 507 HB1 ALA 63 HB1 ALA 63 18.999 32.922 1.382 508 HB2 ALA 63 HB2 ALA 63 20.747 33.084 1.207 509 HB3 ALA 63 HB3 ALA 63 20.074 31.722 2.104 510 H THR 64 H THR 64 17.899 33.619 4.556 511 HA THR 64 HA THR 64 18.756 32.321 6.879 512 HB THR 64 HB THR 64 16.426 32.100 7.486 513 HG1 THR 64 HG1 THR 64 16.012 32.465 4.706 514 HG21 THR 64 HG21 THR 64 15.828 34.355 7.492 515 HG22 THR 64 HG22 THR 64 16.517 34.642 5.894 516 HG23 THR 64 HG23 THR 64 17.578 34.407 7.283 517 H LEU 65 H LEU 65 17.115 30.292 7.518 518 HA LEU 65 HA LEU 65 17.668 28.210 5.508 519 HB2 LEU 65 HB2 LEU 65 17.903 27.972 8.505 520 HB3 LEU 65 HB3 LEU 65 18.113 26.654 7.355 521 HG LEU 65 HG LEU 65 19.892 29.065 7.693 522 HD11 LEU 65 HD11 LEU 65 20.124 27.307 9.401 523 HD12 LEU 65 HD12 LEU 65 21.556 27.454 8.383 524 HD13 LEU 65 HD13 LEU 65 20.422 26.128 8.123 525 HD21 LEU 65 HD21 LEU 65 20.175 26.777 5.750 526 HD22 LEU 65 HD22 LEU 65 21.270 28.146 5.943 527 HD23 LEU 65 HD23 LEU 65 19.638 28.401 5.322 528 H ASP 66 H ASP 66 15.497 28.458 4.776 529 HA ASP 66 HA ASP 66 13.285 28.046 6.549 530 HB2 ASP 66 HB2 ASP 66 13.678 28.721 3.754 531 HB3 ASP 66 HB3 ASP 66 12.397 27.530 3.952 532 H HIS 67 H HIS 67 12.226 26.210 7.045 533 HA HIS 67 HA HIS 67 13.218 23.716 5.829 534 HB2 HIS 67 HB2 HIS 67 11.991 24.002 8.574 535 HB3 HIS 67 HB3 HIS 67 12.808 22.590 7.910 536 HD1 HIS 67 HD1 HIS 67 13.750 23.815 10.555 537 HD2 HIS 67 HD2 HIS 67 15.322 24.820 6.843 538 HE1 HIS 67 HE1 HIS 67 16.050 24.720 11.021 539 H THR 68 H THR 68 11.639 21.919 5.796 540 HA THR 68 HA THR 68 8.853 22.831 5.589 541 HB THR 68 HB THR 68 10.260 21.122 3.527 542 HG1 THR 68 HG1 THR 68 9.173 23.752 3.325 543 HG21 THR 68 HG21 THR 68 7.399 21.846 3.988 544 HG22 THR 68 HG22 THR 68 8.100 20.315 3.465 545 HG23 THR 68 HG23 THR 68 7.984 21.664 2.335 546 H GLU 69 H GLU 69 7.791 21.691 7.073 547 HA GLU 69 HA GLU 69 8.654 19.192 8.083 548 HB2 GLU 69 HB2 GLU 69 6.510 19.156 9.278 549 HB3 GLU 69 HB3 GLU 69 7.303 20.719 9.422 550 HG2 GLU 69 HG2 GLU 69 5.818 21.365 7.393 551 HG3 GLU 69 HG3 GLU 69 4.855 19.975 7.891 552 H ILE 70 H ILE 70 8.354 17.200 7.337 553 HA ILE 70 HA ILE 70 6.743 16.804 4.955 554 HB ILE 70 HB ILE 70 8.600 14.967 6.464 555 HG12 ILE 70 HG12 ILE 70 9.686 15.129 4.059 556 HG13 ILE 70 HG13 ILE 70 8.778 16.634 3.989 557 HG21 ILE 70 HG21 ILE 70 8.174 13.725 4.092 558 HG22 ILE 70 HG22 ILE 70 7.347 13.318 5.594 559 HG23 ILE 70 HG23 ILE 70 6.572 14.384 4.423 560 HD11 ILE 70 HD11 ILE 70 9.918 17.452 5.951 561 HD12 ILE 70 HD12 ILE 70 10.768 15.917 6.127 562 HD13 ILE 70 HD13 ILE 70 11.091 16.949 4.734 563 H LYS 71 H LYS 71 4.629 16.520 5.259 564 HA LYS 71 HA LYS 71 3.662 15.090 7.610 565 HB2 LYS 71 HB2 LYS 71 1.413 15.799 6.792 566 HB3 LYS 71 HB3 LYS 71 2.507 17.139 7.109 567 HG2 LYS 71 HG2 LYS 71 2.862 16.438 4.408 568 HG3 LYS 71 HG3 LYS 71 1.122 16.468 4.704 569 HD2 LYS 71 HD2 LYS 71 1.365 18.676 4.302 570 HD3 LYS 71 HD3 LYS 71 1.868 18.717 5.994 571 HE2 LYS 71 HE2 LYS 71 3.967 19.266 5.459 572 HE3 LYS 71 HE3 LYS 71 4.048 18.043 4.191 573 HZ1 LYS 71 HZ1 LYS 71 3.001 19.524 2.666 574 HZ2 LYS 71 HZ2 LYS 71 4.287 20.355 3.383 575 HZ3 LYS 71 HZ3 LYS 71 2.699 20.668 3.876 576 H ALA 72 H ALA 72 1.868 13.501 7.286 577 HA ALA 72 HA ALA 72 2.730 11.374 5.650 578 HB1 ALA 72 HB1 ALA 72 1.258 11.397 7.811 579 HB2 ALA 72 HB2 ALA 72 -0.074 11.497 6.658 580 HB3 ALA 72 HB3 ALA 72 1.042 10.134 6.598 581 HA PRO 73 HA PRO 73 0.909 12.350 1.759 582 HB2 PRO 73 HB2 PRO 73 0.816 9.851 0.703 583 HB3 PRO 73 HB3 PRO 73 2.318 10.764 0.876 584 HG2 PRO 73 HG2 PRO 73 1.201 8.608 2.626 585 HG3 PRO 73 HG3 PRO 73 2.868 8.848 2.073 586 HD2 PRO 73 HD2 PRO 73 2.035 9.565 4.548 587 HD3 PRO 73 HD3 PRO 73 3.299 10.452 3.672 588 H PHE 74 H PHE 74 -0.421 9.461 3.375 589 HA PHE 74 HA PHE 74 -3.102 10.499 3.113 590 HB2 PHE 74 HB2 PHE 74 -3.602 8.021 2.100 591 HB3 PHE 74 HB3 PHE 74 -3.450 9.478 1.125 592 HD1 PHE 74 HD2 PHE 74 -1.179 6.959 2.691 593 HD2 PHE 74 HD1 PHE 74 -2.136 9.296 -0.735 594 HE1 PHE 74 HE2 PHE 74 0.705 5.944 1.477 595 HE2 PHE 74 HE1 PHE 74 -0.255 8.284 -1.956 596 HZ PHE 74 HZ PHE 74 1.170 6.607 -0.849 597 H ASP 75 H ASP 75 -0.895 9.186 4.951 598 HA ASP 75 HA ASP 75 -0.999 8.241 7.031 599 HB2 ASP 75 HB2 ASP 75 -2.936 8.583 8.092 600 HB3 ASP 75 HB3 ASP 75 -3.681 8.965 6.542 601 H GLY 76 H GLY 76 -1.390 6.068 8.058 602 HA2 GLY 76 HA2 GLY 76 -2.275 3.762 7.148 603 HA3 GLY 76 HA3 GLY 76 -0.952 4.016 6.019 604 H THR 77 H THR 77 0.240 2.253 6.692 605 HA THR 77 HA THR 77 1.146 2.247 9.487 606 HB THR 77 HB THR 77 1.547 0.049 7.457 607 HG1 THR 77 HG1 THR 77 -0.745 0.750 8.242 608 HG21 THR 77 HG21 THR 77 1.348 -0.815 10.173 609 HG22 THR 77 HG22 THR 77 2.537 0.484 10.072 610 HG23 THR 77 HG23 THR 77 2.714 -0.954 9.066 611 H ILE 78 H ILE 78 3.194 2.716 10.002 612 HA ILE 78 HA ILE 78 5.092 3.152 7.795 613 HB ILE 78 HB ILE 78 4.433 5.097 9.322 614 HG12 ILE 78 HG12 ILE 78 7.382 4.748 9.475 615 HG13 ILE 78 HG13 ILE 78 6.645 4.637 7.881 616 HG21 ILE 78 HG21 ILE 78 5.308 5.246 11.482 617 HG22 ILE 78 HG22 ILE 78 4.681 3.603 11.387 618 HG23 ILE 78 HG23 ILE 78 6.412 3.895 11.227 619 HD11 ILE 78 HD11 ILE 78 5.542 6.860 8.408 620 HD12 ILE 78 HD12 ILE 78 6.661 6.963 9.768 621 HD13 ILE 78 HD13 ILE 78 7.281 6.871 8.120 622 H GLY 79 H GLY 79 7.222 2.417 7.965 623 HA2 GLY 79 HA2 GLY 79 7.570 0.236 9.918 624 HA3 GLY 79 HA3 GLY 79 8.354 0.318 8.348 625 H ASP 80 H ASP 80 10.403 0.026 9.269 626 HA ASP 80 HA ASP 80 11.388 1.836 11.274 627 HB2 ASP 80 HB2 ASP 80 12.131 -0.670 10.412 628 HB3 ASP 80 HB3 ASP 80 13.397 0.354 9.739 629 H ALA 81 H ALA 81 13.707 2.788 10.722 630 HA ALA 81 HA ALA 81 13.304 4.492 8.363 631 HB1 ALA 81 HB1 ALA 81 13.615 6.076 9.915 632 HB2 ALA 81 HB2 ALA 81 14.361 4.951 11.051 633 HB3 ALA 81 HB3 ALA 81 15.326 5.671 9.763 634 H LEU 82 H LEU 82 14.987 4.886 6.907 635 HA LEU 82 HA LEU 82 16.964 2.739 6.775 636 HB2 LEU 82 HB2 LEU 82 15.895 4.711 4.785 637 HB3 LEU 82 HB3 LEU 82 17.360 3.786 4.462 638 HG LEU 82 HG LEU 82 14.703 2.510 5.086 639 HD11 LEU 82 HD11 LEU 82 15.899 3.324 2.453 640 HD12 LEU 82 HD12 LEU 82 14.300 3.698 3.095 641 HD13 LEU 82 HD13 LEU 82 14.685 2.052 2.595 642 HD21 LEU 82 HD21 LEU 82 17.153 1.394 3.733 643 HD22 LEU 82 HD22 LEU 82 15.706 0.515 4.227 644 HD23 LEU 82 HD23 LEU 82 16.787 1.189 5.447 645 H VAL 83 H VAL 83 16.892 6.269 6.250 646 HA VAL 83 HA VAL 83 19.743 6.359 6.964 647 HB VAL 83 HB VAL 83 19.856 8.503 5.859 648 HG11 VAL 83 HG11 VAL 83 20.000 7.619 3.801 649 HG12 VAL 83 HG12 VAL 83 19.527 6.116 4.595 650 HG13 VAL 83 HG13 VAL 83 18.311 7.112 3.793 651 HG21 VAL 83 HG21 VAL 83 17.395 8.760 4.540 652 HG22 VAL 83 HG22 VAL 83 17.009 8.462 6.235 653 HG23 VAL 83 HG23 VAL 83 18.058 9.809 5.794 654 H ASN 84 H ASN 84 20.313 8.628 7.951 655 HA ASN 84 HA ASN 84 18.441 9.092 10.179 656 HB2 ASN 84 HB2 ASN 84 21.368 9.729 10.357 657 HB3 ASN 84 HB3 ASN 84 20.229 9.367 11.651 658 HD21 ASN 84 HD21 ASN 84 22.300 8.058 9.204 659 HD22 ASN 84 HD22 ASN 84 22.246 6.418 9.744 660 H ILE 85 H ILE 85 19.303 11.350 11.269 661 HA ILE 85 HA ILE 85 18.497 13.341 9.375 662 HB ILE 85 HB ILE 85 19.604 13.849 12.132 663 HG12 ILE 85 HG12 ILE 85 16.741 13.252 11.358 664 HG13 ILE 85 HG13 ILE 85 17.805 12.152 12.228 665 HG21 ILE 85 HG21 ILE 85 19.356 15.939 11.321 666 HG22 ILE 85 HG22 ILE 85 18.205 15.436 10.082 667 HG23 ILE 85 HG23 ILE 85 17.664 15.673 11.745 668 HD11 ILE 85 HD11 ILE 85 16.062 13.975 13.335 669 HD12 ILE 85 HD12 ILE 85 17.370 13.133 14.168 670 HD13 ILE 85 HD13 ILE 85 17.640 14.745 13.504 671 H GLY 86 H GLY 86 19.703 15.297 8.898 672 HA2 GLY 86 HA2 GLY 86 21.647 16.526 8.516 673 HA3 GLY 86 HA3 GLY 86 22.574 15.257 9.305 674 H ASP 87 H ASP 87 20.607 13.754 7.140 675 HA ASP 87 HA ASP 87 22.782 13.569 5.189 676 HB2 ASP 87 HB2 ASP 87 20.880 11.702 6.287 677 HB3 ASP 87 HB3 ASP 87 20.751 11.732 4.531 678 H TYR 88 H TYR 88 22.656 14.679 3.365 679 HA TYR 88 HA TYR 88 20.454 16.234 2.612 680 HB2 TYR 88 HB2 TYR 88 22.830 16.607 1.906 681 HB3 TYR 88 HB3 TYR 88 22.661 15.256 0.791 682 HD1 TYR 88 HD2 TYR 88 21.310 15.462 -1.219 683 HD2 TYR 88 HD1 TYR 88 21.722 18.727 1.477 684 HE1 TYR 88 HE2 TYR 88 20.412 16.982 -2.932 685 HE2 TYR 88 HE1 TYR 88 20.823 20.255 -0.227 686 HH TYR 88 HH TYR 88 19.111 19.437 -2.710 687 H VAL 89 H VAL 89 18.585 15.680 1.731 688 HA VAL 89 HA VAL 89 18.292 13.040 0.517 689 HB VAL 89 HB VAL 89 15.822 13.681 0.510 690 HG11 VAL 89 HG11 VAL 89 17.041 12.227 2.194 691 HG12 VAL 89 HG12 VAL 89 17.060 13.641 3.249 692 HG13 VAL 89 HG13 VAL 89 15.524 12.948 2.729 693 HG21 VAL 89 HG21 VAL 89 15.081 15.603 1.446 694 HG22 VAL 89 HG22 VAL 89 16.384 15.657 2.633 695 HG23 VAL 89 HG23 VAL 89 16.679 16.184 0.976 696 H SER 90 H SER 90 17.355 12.721 -1.531 697 HA SER 90 HA SER 90 17.728 14.995 -3.355 698 HB2 SER 90 HB2 SER 90 18.371 12.165 -3.509 699 HB3 SER 90 HB3 SER 90 17.426 12.692 -4.902 700 HG SER 90 HG SER 90 19.705 14.093 -3.975 701 H ALA 91 H ALA 91 15.744 15.993 -3.231 702 HA ALA 91 HA ALA 91 13.485 16.310 -3.458 703 HB1 ALA 91 HB1 ALA 91 13.431 14.436 -5.752 704 HB2 ALA 91 HB2 ALA 91 12.845 16.095 -5.626 705 HB3 ALA 91 HB3 ALA 91 14.569 15.782 -5.832 706 H SER 92 H SER 92 11.638 14.441 -4.744 707 HA SER 92 HA SER 92 10.826 13.014 -2.412 708 HB2 SER 92 HB2 SER 92 9.345 14.023 -4.276 709 HB3 SER 92 HB3 SER 92 9.701 12.541 -5.164 710 HG SER 92 HG SER 92 8.179 11.669 -4.026 711 H THR 93 H THR 93 13.184 12.343 -4.585 712 HA THR 93 HA THR 93 12.744 9.553 -5.030 713 HB THR 93 HB THR 93 15.334 11.100 -5.230 714 HG1 THR 93 HG1 THR 93 14.593 11.829 -7.073 715 HG21 THR 93 HG21 THR 93 14.659 8.318 -5.604 716 HG22 THR 93 HG22 THR 93 16.237 9.102 -5.646 717 HG23 THR 93 HG23 THR 93 15.250 9.028 -7.105 718 H THR 94 H THR 94 14.029 11.423 -2.451 719 HA THR 94 HA THR 94 15.758 9.501 -1.300 720 HB THR 94 HB THR 94 15.910 11.836 -0.647 721 HG1 THR 94 HG1 THR 94 16.639 10.523 0.963 722 HG21 THR 94 HG21 THR 94 13.699 12.023 1.165 723 HG22 THR 94 HG22 THR 94 13.101 11.660 -0.454 724 HG23 THR 94 HG23 THR 94 14.118 13.076 -0.185 725 H GLU 95 H GLU 95 14.924 7.496 -0.995 726 HA GLU 95 HA GLU 95 12.340 7.212 0.340 727 HB2 GLU 95 HB2 GLU 95 12.752 4.742 -0.131 728 HB3 GLU 95 HB3 GLU 95 12.511 5.783 -1.526 729 HG2 GLU 95 HG2 GLU 95 14.646 5.546 -2.253 730 HG3 GLU 95 HG3 GLU 95 15.296 5.347 -0.627 731 H LEU 96 H LEU 96 12.914 7.864 2.436 732 HA LEU 96 HA LEU 96 15.025 6.466 3.841 733 HB2 LEU 96 HB2 LEU 96 13.915 7.838 5.795 734 HB3 LEU 96 HB3 LEU 96 14.977 8.603 4.615 735 HG LEU 96 HG LEU 96 12.102 8.629 3.953 736 HD11 LEU 96 HD11 LEU 96 12.146 10.810 5.513 737 HD12 LEU 96 HD12 LEU 96 13.164 9.738 6.473 738 HD13 LEU 96 HD13 LEU 96 11.525 9.248 6.045 739 HD21 LEU 96 HD21 LEU 96 12.635 10.576 2.879 740 HD22 LEU 96 HD22 LEU 96 14.198 9.759 2.829 741 HD23 LEU 96 HD23 LEU 96 13.892 11.006 4.041 742 H VAL 97 H VAL 97 11.524 6.910 4.376 743 HA VAL 97 HA VAL 97 11.488 4.249 5.647 744 HB VAL 97 HB VAL 97 11.075 6.042 7.280 745 HG11 VAL 97 HG11 VAL 97 9.187 7.493 7.143 746 HG12 VAL 97 HG12 VAL 97 10.068 7.626 5.621 747 HG13 VAL 97 HG13 VAL 97 8.586 6.672 5.703 748 HG21 VAL 97 HG21 VAL 97 9.806 3.720 7.120 749 HG22 VAL 97 HG22 VAL 97 9.437 4.897 8.380 750 HG23 VAL 97 HG23 VAL 97 8.407 4.781 6.954 751 H ARG 98 H ARG 98 9.714 2.909 5.240 752 HA ARG 98 HA ARG 98 8.173 3.647 2.845 753 HB2 ARG 98 HB2 ARG 98 9.772 1.510 3.117 754 HB3 ARG 98 HB3 ARG 98 8.284 0.823 3.755 755 HG2 ARG 98 HG2 ARG 98 7.789 2.255 1.303 756 HG3 ARG 98 HG3 ARG 98 9.034 1.023 1.088 757 HD2 ARG 98 HD2 ARG 98 6.911 -0.044 2.677 758 HD3 ARG 98 HD3 ARG 98 6.237 0.675 1.215 759 HE ARG 98 HE ARG 98 7.240 -0.975 -0.030 760 HH11 ARG 98 HH11 ARG 98 8.497 -1.028 3.215 761 HH12 ARG 98 HH12 ARG 98 9.332 -2.532 3.007 762 HH21 ARG 98 HH21 ARG 98 8.336 -2.955 -0.318 763 HH22 ARG 98 HH22 ARG 98 9.241 -3.626 0.996 764 H VAL 99 H VAL 99 5.950 3.021 2.719 765 HA VAL 99 HA VAL 99 4.673 2.646 5.350 766 HB VAL 99 HB VAL 99 3.947 4.508 3.114 767 HG11 VAL 99 HG11 VAL 99 2.093 3.138 5.012 768 HG12 VAL 99 HG12 VAL 99 1.763 4.797 4.510 769 HG13 VAL 99 HG13 VAL 99 1.875 3.514 3.304 770 HG21 VAL 99 HG21 VAL 99 5.298 5.150 5.185 771 HG22 VAL 99 HG22 VAL 99 3.906 6.157 4.782 772 HG23 VAL 99 HG23 VAL 99 3.789 4.966 6.078 773 H THR 100 H THR 100 3.066 1.161 5.497 774 HA THR 100 HA THR 100 2.271 -0.220 3.018 775 HB THR 100 HB THR 100 2.366 -2.333 4.057 776 HG1 THR 100 HG1 THR 100 2.997 -1.144 6.557 777 HG21 THR 100 HG21 THR 100 4.631 -0.807 3.808 778 HG22 THR 100 HG22 THR 100 4.601 -2.543 4.117 779 HG23 THR 100 HG23 THR 100 4.761 -1.411 5.459 780 H ASN 101 H ASN 101 0.255 -1.629 3.449 781 HA ASN 101 HA ASN 101 -1.940 -1.808 4.037 782 HB2 ASN 101 HB2 ASN 101 -0.841 -1.369 6.395 783 HB3 ASN 101 HB3 ASN 101 -1.644 0.191 6.243 784 HD21 ASN 101 HD21 ASN 101 -3.587 0.287 7.080 785 HD22 ASN 101 HD22 ASN 101 -4.680 -1.036 7.285 786 H LEU 102 H LEU 102 -1.715 -0.386 1.936 787 HA LEU 102 HA LEU 102 -3.522 1.882 2.331 788 HB2 LEU 102 HB2 LEU 102 -0.766 2.032 1.449 789 HB3 LEU 102 HB3 LEU 102 -1.874 2.691 0.248 790 HG LEU 102 HG LEU 102 -1.078 4.475 1.637 791 HD11 LEU 102 HD11 LEU 102 -3.541 4.306 0.955 792 HD12 LEU 102 HD12 LEU 102 -3.111 5.464 2.213 793 HD13 LEU 102 HD13 LEU 102 -3.846 3.920 2.649 794 HD21 LEU 102 HD21 LEU 102 -0.974 2.587 3.639 795 HD22 LEU 102 HD22 LEU 102 -2.298 3.638 4.142 796 HD23 LEU 102 HD23 LEU 102 -0.700 4.319 3.829 797 H ASN 103 H ASN 103 -4.209 2.717 0.039 798 HA ASN 103 HA ASN 103 -5.708 0.763 -1.200 799 HB2 ASN 103 HB2 ASN 103 -5.642 2.435 -3.209 800 HB3 ASN 103 HB3 ASN 103 -6.392 2.929 -1.694 801 HD21 ASN 103 HD21 ASN 103 -3.146 2.850 -3.133 802 HD22 ASN 103 HD22 ASN 103 -2.709 4.450 -2.647 803 HA PRO 104 HA PRO 104 -3.074 -1.534 -3.853 804 HB2 PRO 104 HB2 PRO 104 -4.698 -1.984 -5.981 805 HB3 PRO 104 HB3 PRO 104 -4.918 -2.783 -4.419 806 HG2 PRO 104 HG2 PRO 104 -6.343 -0.404 -5.549 807 HG3 PRO 104 HG3 PRO 104 -7.008 -1.792 -4.666 808 HD2 PRO 104 HD2 PRO 104 -6.552 0.603 -3.487 809 HD3 PRO 104 HD3 PRO 104 -6.402 -0.936 -2.613 810 H ILE 105 H ILE 105 -1.501 0.054 -4.346 811 HA ILE 105 HA ILE 105 -1.927 1.884 -6.537 812 HB ILE 105 HB ILE 105 0.490 1.259 -4.848 813 HG12 ILE 105 HG12 ILE 105 -1.314 2.562 -3.785 814 HG13 ILE 105 HG13 ILE 105 0.144 3.524 -3.998 815 HG21 ILE 105 HG21 ILE 105 1.367 1.799 -6.992 816 HG22 ILE 105 HG22 ILE 105 0.235 3.137 -7.186 817 HG23 ILE 105 HG23 ILE 105 1.527 3.240 -5.989 818 HD11 ILE 105 HD11 ILE 105 -1.111 5.064 -4.966 819 HD12 ILE 105 HD12 ILE 105 -1.367 3.944 -6.304 820 HD13 ILE 105 HD13 ILE 105 -2.513 3.994 -4.964 821 H TYR 106 H TYR 106 -1.433 1.573 -8.613 822 HA TYR 106 HA TYR 106 0.603 -0.296 -9.433 823 HB2 TYR 106 HB2 TYR 106 -2.316 -0.875 -9.821 824 HB3 TYR 106 HB3 TYR 106 -1.139 -1.439 -11.002 825 HD1 TYR 106 HD2 TYR 106 0.788 -2.895 -10.147 826 HD2 TYR 106 HD1 TYR 106 -2.711 -2.094 -7.864 827 HE1 TYR 106 HE2 TYR 106 1.261 -4.859 -8.743 828 HE2 TYR 106 HE1 TYR 106 -2.247 -4.054 -6.453 829 HH TYR 106 HH TYR 106 -0.043 -5.386 -5.822 830 H ALA 107 H ALA 107 1.514 1.562 -10.361 831 HA ALA 107 HA ALA 107 0.899 2.024 -13.050 832 HB1 ALA 107 HB1 ALA 107 -0.872 3.384 -12.834 833 HB2 ALA 107 HB2 ALA 107 -0.523 3.737 -11.141 834 HB3 ALA 107 HB3 ALA 107 0.329 4.606 -12.417 835 H ASP 108 H ASP 108 3.133 1.760 -13.189 836 HA ASP 108 HA ASP 108 4.682 4.128 -12.388 837 HB2 ASP 108 HB2 ASP 108 5.193 2.279 -10.839 838 HB3 ASP 108 HB3 ASP 108 5.637 1.262 -12.207 839 H GLY 109 H GLY 109 6.413 4.689 -13.761 840 HA2 GLY 109 HA2 GLY 109 7.248 3.212 -15.998 841 HA3 GLY 109 HA3 GLY 109 5.951 4.284 -16.503 842 H SER 110 H SER 110 8.554 4.796 -14.143 843 HA SER 110 HA SER 110 9.233 7.277 -15.534 844 HB2 SER 110 HB2 SER 110 9.536 6.265 -12.758 845 HB3 SER 110 HB3 SER 110 10.792 7.356 -13.343 846 HG SER 110 HG SER 110 9.430 8.952 -13.234 847 H HIS 111 H HIS 111 10.644 4.212 -14.536 848 HA HIS 111 HA HIS 111 12.531 3.115 -15.180 849 HB2 HIS 111 HB2 HIS 111 11.674 4.561 -17.464 850 HB3 HIS 111 HB3 HIS 111 13.426 4.710 -17.385 851 HD1 HIS 111 HD1 HIS 111 11.064 2.701 -18.953 852 HD2 HIS 111 HD2 HIS 111 14.480 1.844 -16.751 853 HE1 HIS 111 HE1 HIS 111 11.727 0.369 -19.622 854 H HIS 112 H HIS 112 14.963 3.564 -15.791 855 HA HIS 112 HA HIS 112 15.923 6.043 -14.582 856 HB2 HIS 112 HB2 HIS 112 16.450 3.279 -13.523 857 HB3 HIS 112 HB3 HIS 112 17.610 4.579 -13.269 858 HD1 HIS 112 HD1 HIS 112 14.633 3.098 -11.844 859 HD2 HIS 112 HD2 HIS 112 16.396 6.861 -11.838 860 HE1 HIS 112 HE1 HIS 112 13.588 4.328 -9.916 861 H HIS 113 H HIS 113 16.804 6.699 -16.511 862 HA HIS 113 HA HIS 113 19.356 5.637 -17.188 863 HB2 HIS 113 HB2 HIS 113 17.310 4.281 -18.405 864 HB3 HIS 113 HB3 HIS 113 17.691 5.511 -19.607 865 HD1 HIS 113 HD1 HIS 113 18.904 4.131 -21.308 866 HD2 HIS 113 HD2 HIS 113 20.382 3.579 -17.465 867 HE1 HIS 113 HE1 HIS 113 20.977 2.734 -21.580 868 H HIS 114 H HIS 114 19.969 6.683 -19.509 869 HA HIS 114 HA HIS 114 20.200 9.405 -19.104 870 HB2 HIS 114 HB2 HIS 114 20.807 9.541 -21.517 871 HB3 HIS 114 HB3 HIS 114 21.645 8.250 -20.660 872 HD1 HIS 114 HD1 HIS 114 21.550 6.015 -21.729 873 HD2 HIS 114 HD2 HIS 114 18.503 8.505 -23.060 874 HE1 HIS 114 HE1 HIS 114 20.378 4.731 -23.546 875 H HIS 115 H HIS 115 19.289 11.213 -20.292 876 HA HIS 115 HA HIS 115 16.506 11.325 -20.168 877 HB2 HIS 115 HB2 HIS 115 16.721 13.476 -21.374 878 HB3 HIS 115 HB3 HIS 115 17.872 13.332 -20.050 879 HD1 HIS 115 HD1 HIS 115 20.386 13.006 -20.701 880 HD2 HIS 115 HD2 HIS 115 17.833 13.714 -23.902 881 HE1 HIS 115 HE1 HIS 115 21.881 13.584 -22.639 882 H HIS 116 H HIS 116 15.013 10.460 -21.434 883 HA HIS 116 HA HIS 116 15.315 10.490 -24.314 884 HB2 HIS 116 HB2 HIS 116 14.818 8.054 -24.527 885 HB3 HIS 116 HB3 HIS 116 16.397 8.388 -23.823 886 HD1 HIS 116 HD1 HIS 116 16.840 6.648 -22.132 887 HD2 HIS 116 HD2 HIS 116 12.890 7.929 -22.023 888 HE1 HIS 116 HE1 HIS 116 15.785 5.411 -20.213 889 H2 B6D 117 H2 B6D 117 13.938 38.348 5.639 890 H1 B6D 117 H1 B6D 117 15.030 36.152 3.779 891 H3 B6D 117 H3 B6D 117 14.855 38.473 2.722 892 HN2 B6D 117 HN2 B6D 117 11.965 37.647 4.819 893 H5 B6D 117 H5 B6D 117 17.196 37.521 3.499 894 H8 B6D 117 H22 B6D 117 10.806 35.634 3.208 895 H8A B6D 117 H21 B6D 117 10.858 36.350 1.580 896 H8B B6D 117 H23 B6D 117 10.285 37.319 2.964 897 H4 B6D 117 H4 B6D 117 16.006 39.717 5.266 898 HN4 B6D 117 HN4 B6D 117 16.577 40.163 2.438 899 H9 B6D 117 H43 B6D 117 17.899 43.028 2.920 900 H9A B6D 117 H41 B6D 117 19.433 42.124 2.821 901 H9B B6D 117 H42 B6D 117 18.074 41.680 1.760 902 H6 B6D 117 H62 B6D 117 19.047 38.651 4.533 903 H6A B6D 117 H63 B6D 117 18.162 38.871 6.056 904 H6B B6D 117 H61 B6D 117 18.714 37.257 5.578 905 H1 A2G 118 H1 A2G 118 14.860 40.729 1.806 906 H2 A2G 118 H2 A2G 118 13.368 42.698 1.467 907 H3 A2G 118 H3 A2G 118 12.176 41.795 4.135 908 H4 A2G 118 H4 A2G 118 10.105 41.562 2.892 909 H5 A2G 118 H5 A2G 118 11.465 39.668 2.919 910 H61 A2G 118 H61 A2G 118 11.007 38.374 0.826 911 H62 A2G 118 H62 A2G 118 10.369 39.870 0.130 912 H81 A2G 118 H81 A2G 118 15.559 46.052 4.137 913 H82 A2G 118 H82 A2G 118 16.675 44.985 3.247 914 H83 A2G 118 H83 A2G 118 15.992 44.448 4.802 915 HO3 A2G 118 HO3 A2G 118 10.932 43.669 3.987 916 HO6 A2G 118 HO6 A2G 118 8.826 38.387 1.268 917 HN2 A2G 118 HN2 A2G 118 15.196 42.474 3.673 918 H1 A2G 119 H1 A2G 119 9.039 41.239 0.613 919 H2 A2G 119 H2 A2G 119 8.557 42.490 -1.489 920 H3 A2G 119 H3 A2G 119 11.147 43.955 -0.779 921 H4 A2G 119 H4 A2G 119 9.760 45.946 -0.729 922 H5 A2G 119 H5 A2G 119 9.919 44.794 1.294 923 H61 A2G 119 H61 A2G 119 6.968 45.378 1.339 924 H62 A2G 119 H62 A2G 119 8.202 46.644 1.276 925 H81 A2G 119 H81 A2G 119 10.472 38.909 -3.555 926 H82 A2G 119 H82 A2G 119 11.862 39.839 -2.939 927 H83 A2G 119 H83 A2G 119 11.238 40.164 -4.576 928 HO3 A2G 119 HO3 A2G 119 11.343 44.012 -2.862 929 HO6 A2G 119 HO6 A2G 119 7.919 46.313 3.417 930 HN2 A2G 119 HN2 A2G 119 11.127 41.083 -1.237 931 H1 A2G 120 H1 A2G 120 7.749 47.111 -0.991 932 H2 A2G 120 H2 A2G 120 5.570 47.304 -2.189 933 H3 A2G 120 H3 A2G 120 5.965 44.304 -2.636 934 H4 A2G 120 H4 A2G 120 5.909 44.863 -4.997 935 H5 A2G 120 H5 A2G 120 8.021 44.939 -4.008 936 H61 A2G 120 H61 A2G 120 8.141 47.443 -5.681 937 H62 A2G 120 H62 A2G 120 7.982 45.811 -6.345 938 H81 A2G 120 H81 A2G 120 3.789 47.239 2.004 939 H82 A2G 120 H82 A2G 120 5.345 46.611 2.604 940 H83 A2G 120 H83 A2G 120 4.255 45.541 1.685 941 HO6 A2G 120 HO6 A2G 120 9.941 45.239 -5.344 942 HN2 A2G 120 HN2 A2G 120 4.883 45.177 -0.415 943 H1 A2G 121 H1 A2G 121 5.666 46.352 -6.809 944 H2 A2G 121 H2 A2G 121 4.525 48.388 -7.687 945 H3 A2G 121 H3 A2G 121 4.348 49.122 -4.723 946 H4 A2G 121 H4 A2G 121 1.948 49.122 -5.083 947 H5 A2G 121 H5 A2G 121 2.859 47.067 -4.464 948 H61 A2G 121 H61 A2G 121 1.326 45.364 -5.094 949 H62 A2G 121 H62 A2G 121 0.974 46.178 -6.625 950 H81 A2G 121 H81 A2G 121 8.677 49.732 -6.782 951 H82 A2G 121 H82 A2G 121 8.455 50.643 -8.298 952 H83 A2G 121 H83 A2G 121 9.107 48.985 -8.351 953 HO3 A2G 121 HO3 A2G 121 4.869 50.816 -6.455 954 HO6 A2G 121 HO6 A2G 121 -0.564 47.139 -5.553 955 HN2 A2G 121 HN2 A2G 121 6.695 49.273 -5.897 956 H1 A2G 122 H1 A2G 122 0.004 48.863 -6.428 957 H2 A2G 122 H2 A2G 122 -1.018 49.270 -8.665 958 H3 A2G 122 H3 A2G 122 1.881 49.080 -9.621 959 H4 A2G 122 H4 A2G 122 1.545 51.346 -10.420 960 H5 A2G 122 H5 A2G 122 2.313 51.171 -8.225 961 H61 A2G 122 H61 A2G 122 0.937 53.524 -8.910 962 H62 A2G 122 H62 A2G 122 2.289 53.310 -7.790 963 H81 A2G 122 H81 A2G 122 -1.891 44.881 -8.030 964 H82 A2G 122 H82 A2G 122 -0.293 44.870 -8.820 965 H83 A2G 122 H83 A2G 122 -1.769 44.807 -9.814 966 HO3 A2G 122 HO3 A2G 122 0.546 49.624 -11.671 967 HO6 A2G 122 HO6 A2G 122 0.499 54.237 -6.716 968 HN2 A2G 122 HN2 A2G 122 0.678 46.848 -8.491 969 H2 BGC 123 H2 BGC 123 1.624 44.600 -3.274 970 H3 BGC 123 H3 BGC 123 1.704 41.581 -3.663 971 H4 BGC 123 H4 BGC 123 1.276 43.558 -5.966 972 H5 BGC 123 H5 BGC 123 3.740 41.842 -5.349 973 H6C1 BGC 123 H61 BGC 123 2.822 42.849 -7.893 974 H6C2 BGC 123 H62 BGC 123 4.220 43.823 -7.398 975 H1 BGC 123 H1 BGC 123 4.235 43.002 -3.207 976 HB BGC 123 HO2 BGC 123 1.215 43.037 -1.563 977 HC BGC 123 HO3 BGC 123 -0.463 42.123 -4.384 978 HD BGC 123 HO4 BGC 123 1.774 40.736 -5.928 979 H6 BGC 123 HO6 BGC 123 5.416 42.125 -7.847 Start of MODEL 11 1 H1 ASP 1 H ASP 1 2.204 -1.887 -1.846 2 HA ASP 1 HA ASP 1 1.319 0.179 -0.654 3 HB2 ASP 1 HB2 ASP 1 4.266 -0.280 -0.203 4 HB3 ASP 1 HB3 ASP 1 3.056 0.228 0.971 5 H VAL 2 H VAL 2 2.962 2.135 0.277 6 HA VAL 2 HA VAL 2 3.823 3.631 -2.105 7 HB VAL 2 HB VAL 2 2.221 4.854 0.144 8 HG11 VAL 2 HG11 VAL 2 3.249 5.910 -2.481 9 HG12 VAL 2 HG12 VAL 2 2.018 6.731 -1.520 10 HG13 VAL 2 HG13 VAL 2 3.633 6.480 -0.858 11 HG21 VAL 2 HG21 VAL 2 0.798 3.339 -1.094 12 HG22 VAL 2 HG22 VAL 2 0.380 5.005 -1.493 13 HG23 VAL 2 HG23 VAL 2 1.332 4.040 -2.621 14 H ILE 3 H ILE 3 5.362 5.302 -1.702 15 HA ILE 3 HA ILE 3 6.911 4.842 0.756 16 HB ILE 3 HB ILE 3 7.920 6.158 -1.761 17 HG12 ILE 3 HG12 ILE 3 7.982 3.245 -0.957 18 HG13 ILE 3 HG13 ILE 3 7.243 3.937 -2.396 19 HG21 ILE 3 HG21 ILE 3 9.209 6.627 0.239 20 HG22 ILE 3 HG22 ILE 3 9.323 4.905 0.595 21 HG23 ILE 3 HG23 ILE 3 10.118 5.563 -0.834 22 HD11 ILE 3 HD11 ILE 3 10.090 3.366 -1.809 23 HD12 ILE 3 HD12 ILE 3 9.165 3.129 -3.293 24 HD13 ILE 3 HD13 ILE 3 9.713 4.744 -2.843 25 H ILE 4 H ILE 4 7.831 6.621 1.865 26 HA ILE 4 HA ILE 4 6.332 9.124 1.481 27 HB ILE 4 HB ILE 4 7.618 7.959 3.946 28 HG12 ILE 4 HG12 ILE 4 4.760 8.808 3.463 29 HG13 ILE 4 HG13 ILE 4 5.335 7.165 3.206 30 HG21 ILE 4 HG21 ILE 4 8.113 10.253 4.100 31 HG22 ILE 4 HG22 ILE 4 6.545 10.718 3.445 32 HG23 ILE 4 HG23 ILE 4 6.654 10.029 5.065 33 HD11 ILE 4 HD11 ILE 4 4.219 7.457 5.369 34 HD12 ILE 4 HD12 ILE 4 5.905 6.967 5.543 35 HD13 ILE 4 HD13 ILE 4 5.441 8.645 5.823 36 H LYS 5 H LYS 5 7.488 10.542 0.345 37 HA LYS 5 HA LYS 5 10.268 11.031 1.172 38 HB2 LYS 5 HB2 LYS 5 10.361 11.718 -1.450 39 HB3 LYS 5 HB3 LYS 5 10.862 10.153 -0.823 40 HG2 LYS 5 HG2 LYS 5 8.011 10.512 -1.566 41 HG3 LYS 5 HG3 LYS 5 9.204 10.368 -2.858 42 HD2 LYS 5 HD2 LYS 5 8.898 8.407 -0.586 43 HD3 LYS 5 HD3 LYS 5 8.188 8.200 -2.188 44 HE2 LYS 5 HE2 LYS 5 10.997 8.825 -2.380 45 HE3 LYS 5 HE3 LYS 5 10.737 7.421 -1.344 46 HZ1 LYS 5 HZ1 LYS 5 9.148 6.769 -3.327 47 HZ2 LYS 5 HZ2 LYS 5 10.799 6.400 -3.352 48 HZ3 LYS 5 HZ3 LYS 5 10.220 7.744 -4.201 49 HA PRO 6 HA PRO 6 9.249 15.295 1.363 50 HB2 PRO 6 HB2 PRO 6 11.509 16.478 0.436 51 HB3 PRO 6 HB3 PRO 6 11.417 15.687 2.015 52 HG2 PRO 6 HG2 PRO 6 12.519 14.644 -0.566 53 HG3 PRO 6 HG3 PRO 6 13.184 14.506 1.071 54 HD2 PRO 6 HD2 PRO 6 11.837 12.487 -0.127 55 HD3 PRO 6 HD3 PRO 6 11.791 12.757 1.627 56 H GLN 7 H GLN 7 9.181 17.358 0.063 57 HA GLN 7 HA GLN 7 8.339 16.716 -2.665 58 HB2 GLN 7 HB2 GLN 7 7.183 18.887 -2.606 59 HB3 GLN 7 HB3 GLN 7 6.694 17.849 -1.272 60 HG2 GLN 7 HG2 GLN 7 7.599 19.199 0.297 61 HG3 GLN 7 HG3 GLN 7 8.918 19.720 -0.750 62 HE21 GLN 7 HE21 GLN 7 8.121 21.050 -2.684 63 HE22 GLN 7 HE22 GLN 7 6.974 22.288 -2.317 64 H VAL 8 H VAL 8 11.022 17.868 -1.111 65 HA VAL 8 HA VAL 8 12.085 18.965 -3.583 66 HB VAL 8 HB VAL 8 12.946 20.998 -2.555 67 HG11 VAL 8 HG11 VAL 8 9.993 20.889 -2.001 68 HG12 VAL 8 HG12 VAL 8 10.952 22.259 -2.567 69 HG13 VAL 8 HG13 VAL 8 10.654 20.887 -3.637 70 HG21 VAL 8 HG21 VAL 8 13.255 20.691 -0.314 71 HG22 VAL 8 HG22 VAL 8 11.725 21.568 -0.278 72 HG23 VAL 8 HG23 VAL 8 11.740 19.812 -0.112 73 H SER 9 H SER 9 14.488 19.736 -3.034 74 HA SER 9 HA SER 9 15.718 17.434 -1.702 75 HB2 SER 9 HB2 SER 9 17.642 17.813 -3.029 76 HB3 SER 9 HB3 SER 9 16.282 18.101 -4.114 77 HG SER 9 HG SER 9 17.994 19.974 -2.879 78 H GLY 10 H GLY 10 17.099 17.625 0.002 79 HA2 GLY 10 HA2 GLY 10 18.355 20.012 0.825 80 HA3 GLY 10 HA3 GLY 10 16.860 19.814 1.727 81 H VAL 11 H VAL 11 17.706 19.405 3.719 82 HA VAL 11 HA VAL 11 19.120 16.845 4.001 83 HB VAL 11 HB VAL 11 19.856 19.307 5.586 84 HG11 VAL 11 HG11 VAL 11 20.896 17.873 6.923 85 HG12 VAL 11 HG12 VAL 11 20.375 16.520 5.919 86 HG13 VAL 11 HG13 VAL 11 21.890 17.349 5.565 87 HG21 VAL 11 HG21 VAL 11 21.151 18.091 3.156 88 HG22 VAL 11 HG22 VAL 11 20.576 19.745 3.369 89 HG23 VAL 11 HG23 VAL 11 21.995 19.184 4.253 90 H ILE 12 H ILE 12 18.462 15.604 5.680 91 HA ILE 12 HA ILE 12 15.986 15.964 6.852 92 HB ILE 12 HB ILE 12 18.290 14.379 7.996 93 HG12 ILE 12 HG12 ILE 12 17.737 13.801 5.647 94 HG13 ILE 12 HG13 ILE 12 17.386 12.490 6.766 95 HG21 ILE 12 HG21 ILE 12 15.318 14.143 8.450 96 HG22 ILE 12 HG22 ILE 12 16.543 13.044 9.080 97 HG23 ILE 12 HG23 ILE 12 16.508 14.724 9.615 98 HD11 ILE 12 HD11 ILE 12 15.688 13.512 4.860 99 HD12 ILE 12 HD12 ILE 12 15.238 12.476 6.215 100 HD13 ILE 12 HD13 ILE 12 15.105 14.228 6.362 101 H VAL 13 H VAL 13 15.248 16.711 8.817 102 HA VAL 13 HA VAL 13 17.170 18.297 10.394 103 HB VAL 13 HB VAL 13 14.249 18.963 10.297 104 HG11 VAL 13 HG11 VAL 13 16.130 21.149 10.415 105 HG12 VAL 13 HG12 VAL 13 14.855 20.700 11.548 106 HG13 VAL 13 HG13 VAL 13 16.451 19.962 11.679 107 HG21 VAL 13 HG21 VAL 13 16.248 19.366 8.161 108 HG22 VAL 13 HG22 VAL 13 14.492 19.244 8.064 109 HG23 VAL 13 HG23 VAL 13 15.244 20.758 8.567 110 H ASN 14 H ASN 14 14.182 16.397 10.501 111 HA ASN 14 HA ASN 14 14.907 15.243 13.016 112 HB2 ASN 14 HB2 ASN 14 13.845 17.594 13.479 113 HB3 ASN 14 HB3 ASN 14 12.329 16.770 13.126 114 HD21 ASN 14 HD21 ASN 14 11.405 16.626 15.067 115 HD22 ASN 14 HD22 ASN 14 12.110 15.863 16.446 116 H LYS 15 H LYS 15 12.919 13.925 13.878 117 HA LYS 15 HA LYS 15 11.306 12.922 11.645 118 HB2 LYS 15 HB2 LYS 15 12.656 11.018 13.543 119 HB3 LYS 15 HB3 LYS 15 11.887 10.665 12.001 120 HG2 LYS 15 HG2 LYS 15 13.699 11.941 10.875 121 HG3 LYS 15 HG3 LYS 15 14.496 12.099 12.442 122 HD2 LYS 15 HD2 LYS 15 13.824 9.507 11.047 123 HD3 LYS 15 HD3 LYS 15 15.427 10.238 11.156 124 HE2 LYS 15 HE2 LYS 15 14.395 10.081 13.782 125 HE3 LYS 15 HE3 LYS 15 14.100 8.522 13.014 126 HZ1 LYS 15 HZ1 LYS 15 16.745 9.842 12.901 127 HZ2 LYS 15 HZ2 LYS 15 16.369 8.218 12.612 128 HZ3 LYS 15 HZ3 LYS 15 16.308 8.832 14.186 129 H LEU 16 H LEU 16 9.257 13.082 12.248 130 HA LEU 16 HA LEU 16 8.581 12.809 15.093 131 HB2 LEU 16 HB2 LEU 16 6.735 13.815 12.955 132 HB3 LEU 16 HB3 LEU 16 6.659 14.089 14.694 133 HG LEU 16 HG LEU 16 8.452 15.390 12.667 134 HD11 LEU 16 HD11 LEU 16 6.047 16.098 13.951 135 HD12 LEU 16 HD12 LEU 16 7.056 17.094 12.903 136 HD13 LEU 16 HD13 LEU 16 7.316 17.105 14.648 137 HD21 LEU 16 HD21 LEU 16 9.185 16.504 15.037 138 HD22 LEU 16 HD22 LEU 16 10.101 15.264 14.182 139 HD23 LEU 16 HD23 LEU 16 9.005 14.808 15.486 140 H PHE 17 H PHE 17 9.110 10.420 14.019 141 HA PHE 17 HA PHE 17 6.511 9.130 14.073 142 HB2 PHE 17 HB2 PHE 17 6.863 7.842 12.041 143 HB3 PHE 17 HB3 PHE 17 6.917 9.562 11.666 144 HD1 PHE 17 HD2 PHE 17 9.097 6.639 12.374 145 HD2 PHE 17 HD1 PHE 17 8.730 10.456 10.526 146 HE1 PHE 17 HE2 PHE 17 11.294 6.331 11.310 147 HE2 PHE 17 HE1 PHE 17 10.925 10.154 9.458 148 HZ PHE 17 HZ PHE 17 12.211 8.090 9.850 149 H LYS 18 H LYS 18 6.697 6.765 14.293 150 HA LYS 18 HA LYS 18 9.200 6.045 15.669 151 HB2 LYS 18 HB2 LYS 18 6.350 5.552 16.265 152 HB3 LYS 18 HB3 LYS 18 7.420 4.181 16.527 153 HG2 LYS 18 HG2 LYS 18 8.400 6.716 17.621 154 HG3 LYS 18 HG3 LYS 18 6.907 6.122 18.349 155 HD2 LYS 18 HD2 LYS 18 7.906 4.189 19.136 156 HD3 LYS 18 HD3 LYS 18 9.209 4.257 17.948 157 HE2 LYS 18 HE2 LYS 18 10.485 5.163 19.529 158 HE3 LYS 18 HE3 LYS 18 9.467 6.599 19.434 159 HZ1 LYS 18 HZ1 LYS 18 8.870 6.207 21.516 160 HZ2 LYS 18 HZ2 LYS 18 9.724 4.748 21.550 161 HZ3 LYS 18 HZ3 LYS 18 8.118 4.774 21.021 162 H ALA 19 H ALA 19 9.378 3.501 15.759 163 HA ALA 19 HA ALA 19 9.527 2.647 12.988 164 HB1 ALA 19 HB1 ALA 19 11.030 1.003 13.689 165 HB2 ALA 19 HB2 ALA 19 11.382 2.379 14.736 166 HB3 ALA 19 HB3 ALA 19 10.426 1.028 15.347 167 H GLY 20 H GLY 20 7.720 1.806 12.148 168 HA2 GLY 20 HA2 GLY 20 6.212 0.046 11.819 169 HA3 GLY 20 HA3 GLY 20 6.540 -0.511 13.453 170 H ASP 21 H ASP 21 6.007 2.736 13.644 171 HA ASP 21 HA ASP 21 3.479 2.403 14.913 172 HB2 ASP 21 HB2 ASP 21 5.491 4.357 14.883 173 HB3 ASP 21 HB3 ASP 21 4.060 5.155 14.235 174 H LYS 22 H LYS 22 1.981 4.572 14.189 175 HA LYS 22 HA LYS 22 1.258 3.971 11.395 176 HB2 LYS 22 HB2 LYS 22 -1.019 4.063 11.923 177 HB3 LYS 22 HB3 LYS 22 -0.316 3.189 13.278 178 HG2 LYS 22 HG2 LYS 22 -1.530 4.625 14.498 179 HG3 LYS 22 HG3 LYS 22 -0.170 5.714 14.210 180 HD2 LYS 22 HD2 LYS 22 -1.855 5.932 11.967 181 HD3 LYS 22 HD3 LYS 22 -2.905 5.970 13.384 182 HE2 LYS 22 HE2 LYS 22 -0.553 7.758 12.794 183 HE3 LYS 22 HE3 LYS 22 -2.254 8.216 12.868 184 HZ1 LYS 22 HZ1 LYS 22 -0.420 7.551 15.073 185 HZ2 LYS 22 HZ2 LYS 22 -2.087 7.349 15.274 186 HZ3 LYS 22 HZ3 LYS 22 -1.459 8.877 14.911 187 H VAL 23 H VAL 23 0.270 5.703 10.187 188 HA VAL 23 HA VAL 23 1.159 8.355 11.114 189 HB VAL 23 HB VAL 23 1.406 9.020 8.817 190 HG11 VAL 23 HG11 VAL 23 3.278 7.818 9.860 191 HG12 VAL 23 HG12 VAL 23 2.653 6.301 9.211 192 HG13 VAL 23 HG13 VAL 23 3.218 7.564 8.116 193 HG21 VAL 23 HG21 VAL 23 0.404 6.271 8.079 194 HG22 VAL 23 HG22 VAL 23 -0.492 7.779 7.889 195 HG23 VAL 23 HG23 VAL 23 0.979 7.503 6.954 196 H LYS 24 H LYS 24 -0.114 10.182 10.044 197 HA LYS 24 HA LYS 24 -2.962 9.506 9.804 198 HB2 LYS 24 HB2 LYS 24 -2.897 10.262 12.020 199 HB3 LYS 24 HB3 LYS 24 -1.695 11.495 11.662 200 HG2 LYS 24 HG2 LYS 24 -3.759 12.597 12.054 201 HG3 LYS 24 HG3 LYS 24 -3.435 12.687 10.322 202 HD2 LYS 24 HD2 LYS 24 -4.855 10.431 10.352 203 HD3 LYS 24 HD3 LYS 24 -5.532 11.192 11.794 204 HE2 LYS 24 HE2 LYS 24 -5.265 12.869 9.363 205 HE3 LYS 24 HE3 LYS 24 -6.505 11.617 9.348 206 HZ1 LYS 24 HZ1 LYS 24 -6.229 13.695 11.452 207 HZ2 LYS 24 HZ2 LYS 24 -7.467 12.549 11.327 208 HZ3 LYS 24 HZ3 LYS 24 -7.322 13.769 10.164 209 H LYS 25 H LYS 25 -4.196 10.920 8.531 210 HA LYS 25 HA LYS 25 -2.952 11.993 6.289 211 HB2 LYS 25 HB2 LYS 25 -5.636 12.822 7.401 212 HB3 LYS 25 HB3 LYS 25 -5.099 12.972 5.733 213 HG2 LYS 25 HG2 LYS 25 -5.209 10.660 5.372 214 HG3 LYS 25 HG3 LYS 25 -5.286 10.309 7.100 215 HD2 LYS 25 HD2 LYS 25 -7.498 10.142 6.764 216 HD3 LYS 25 HD3 LYS 25 -7.473 11.907 6.752 217 HE2 LYS 25 HE2 LYS 25 -7.515 12.007 4.417 218 HE3 LYS 25 HE3 LYS 25 -6.999 10.330 4.247 219 HZ1 LYS 25 HZ1 LYS 25 -9.653 11.416 4.676 220 HZ2 LYS 25 HZ2 LYS 25 -9.293 10.022 5.564 221 HZ3 LYS 25 HZ3 LYS 25 -9.177 10.004 3.876 222 H GLY 26 H GLY 26 -1.340 13.458 6.630 223 HA2 GLY 26 HA2 GLY 26 -0.937 15.841 6.538 224 HA3 GLY 26 HA3 GLY 26 -2.189 16.049 7.753 225 H GLN 27 H GLN 27 -1.013 13.621 9.175 226 HA GLN 27 HA GLN 27 0.431 14.948 11.126 227 HB2 GLN 27 HB2 GLN 27 -0.386 12.878 11.788 228 HB3 GLN 27 HB3 GLN 27 0.198 12.069 10.339 229 HG2 GLN 27 HG2 GLN 27 2.251 11.702 11.201 230 HG3 GLN 27 HG3 GLN 27 2.252 13.201 12.127 231 HE21 GLN 27 HE21 GLN 27 0.728 10.011 12.008 232 HE22 GLN 27 HE22 GLN 27 0.599 9.814 13.719 233 H THR 28 H THR 28 2.626 15.096 11.637 234 HA THR 28 HA THR 28 4.370 15.208 9.316 235 HB THR 28 HB THR 28 5.190 15.911 12.125 236 HG1 THR 28 HG1 THR 28 4.205 17.855 11.923 237 HG21 THR 28 HG21 THR 28 6.545 17.611 10.857 238 HG22 THR 28 HG22 THR 28 6.026 16.816 9.371 239 HG23 THR 28 HG23 THR 28 6.989 15.933 10.556 240 H LEU 29 H LEU 29 6.346 14.131 9.129 241 HA LEU 29 HA LEU 29 6.908 12.013 11.074 242 HB2 LEU 29 HB2 LEU 29 6.818 11.574 8.094 243 HB3 LEU 29 HB3 LEU 29 7.242 10.377 9.316 244 HG LEU 29 HG LEU 29 4.877 10.671 10.206 245 HD11 LEU 29 HD11 LEU 29 3.673 12.318 9.330 246 HD12 LEU 29 HD12 LEU 29 3.588 11.375 7.843 247 HD13 LEU 29 HD13 LEU 29 4.854 12.586 8.047 248 HD21 LEU 29 HD21 LEU 29 4.969 8.661 9.207 249 HD22 LEU 29 HD22 LEU 29 5.795 9.291 7.782 250 HD23 LEU 29 HD23 LEU 29 4.044 9.452 7.931 251 H PHE 30 H PHE 30 8.056 13.515 8.054 252 HA PHE 30 HA PHE 30 10.775 13.475 9.188 253 HB2 PHE 30 HB2 PHE 30 9.764 12.658 6.548 254 HB3 PHE 30 HB3 PHE 30 11.192 13.686 6.494 255 HD1 PHE 30 HD1 PHE 30 12.908 12.926 8.546 256 HD2 PHE 30 HD2 PHE 30 10.256 10.438 6.333 257 HE1 PHE 30 HE1 PHE 30 14.329 10.978 9.039 258 HE2 PHE 30 HE2 PHE 30 11.673 8.487 6.823 259 HZ PHE 30 HZ PHE 30 13.711 8.755 8.178 260 H ILE 31 H ILE 31 12.216 15.175 8.164 261 HA ILE 31 HA ILE 31 10.838 17.567 7.263 262 HB ILE 31 HB ILE 31 12.559 17.687 9.739 263 HG12 ILE 31 HG12 ILE 31 9.549 17.754 9.456 264 HG13 ILE 31 HG13 ILE 31 10.502 16.540 10.303 265 HG21 ILE 31 HG21 ILE 31 12.338 19.666 8.099 266 HG22 ILE 31 HG22 ILE 31 10.705 19.816 8.743 267 HG23 ILE 31 HG23 ILE 31 12.093 19.962 9.820 268 HD11 ILE 31 HD11 ILE 31 11.219 18.961 11.470 269 HD12 ILE 31 HD12 ILE 31 9.471 19.050 11.246 270 HD13 ILE 31 HD13 ILE 31 10.177 17.711 12.150 271 H ILE 32 H ILE 32 12.034 18.642 5.823 272 HA ILE 32 HA ILE 32 14.953 18.325 5.876 273 HB ILE 32 HB ILE 32 13.132 17.795 3.548 274 HG12 ILE 32 HG12 ILE 32 15.589 16.231 3.972 275 HG13 ILE 32 HG13 ILE 32 14.426 16.130 5.290 276 HG21 ILE 32 HG21 ILE 32 15.831 18.999 3.523 277 HG22 ILE 32 HG22 ILE 32 15.532 17.701 2.369 278 HG23 ILE 32 HG23 ILE 32 14.513 19.141 2.361 279 HD11 ILE 32 HD11 ILE 32 14.399 14.518 3.155 280 HD12 ILE 32 HD12 ILE 32 12.955 14.944 4.072 281 HD13 ILE 32 HD13 ILE 32 13.334 15.798 2.577 282 H GLU 33 H GLU 33 16.053 20.161 5.531 283 HA GLU 33 HA GLU 33 14.510 22.580 4.983 284 HB2 GLU 33 HB2 GLU 33 15.821 22.956 6.856 285 HB3 GLU 33 HB3 GLU 33 17.169 22.015 6.231 286 HG2 GLU 33 HG2 GLU 33 16.464 24.470 4.749 287 HG3 GLU 33 HG3 GLU 33 17.175 24.677 6.348 288 H GLN 34 H GLN 34 14.751 23.814 3.200 289 HA GLN 34 HA GLN 34 16.940 23.213 1.347 290 HB2 GLN 34 HB2 GLN 34 15.445 23.116 -0.555 291 HB3 GLN 34 HB3 GLN 34 14.963 21.909 0.628 292 HG2 GLN 34 HG2 GLN 34 13.669 24.609 0.353 293 HG3 GLN 34 HG3 GLN 34 13.079 23.140 -0.421 294 HE21 GLN 34 HE21 GLN 34 13.425 21.284 1.541 295 HE22 GLN 34 HE22 GLN 34 12.413 21.656 2.891 296 H ASP 35 H ASP 35 16.272 24.860 -0.718 297 HA ASP 35 HA ASP 35 15.893 27.509 0.499 298 HB2 ASP 35 HB2 ASP 35 18.133 26.617 -1.310 299 HB3 ASP 35 HB3 ASP 35 17.690 28.314 -1.142 300 H GLN 36 H GLN 36 13.855 26.207 -0.746 301 HA GLN 36 HA GLN 36 13.114 28.031 -2.772 302 HB2 GLN 36 HB2 GLN 36 12.901 26.370 -4.637 303 HB3 GLN 36 HB3 GLN 36 14.558 26.802 -4.230 304 HG2 GLN 36 HG2 GLN 36 13.551 24.466 -2.792 305 HG3 GLN 36 HG3 GLN 36 13.616 24.267 -4.541 306 HE21 GLN 36 HE21 GLN 36 15.195 22.944 -2.516 307 HE22 GLN 36 HE22 GLN 36 16.847 23.319 -2.855 308 H ALA 37 H ALA 37 11.522 27.966 -0.970 309 HA ALA 37 HA ALA 37 9.642 25.721 -1.162 310 HB1 ALA 37 HB1 ALA 37 10.642 26.828 1.052 311 HB2 ALA 37 HB2 ALA 37 9.220 27.852 0.846 312 HB3 ALA 37 HB3 ALA 37 9.035 26.104 0.987 313 H SER 38 H SER 38 9.814 29.246 -1.396 314 HA SER 38 HA SER 38 7.712 29.340 -3.312 315 HB2 SER 38 HB2 SER 38 6.820 29.288 -0.679 316 HB3 SER 38 HB3 SER 38 6.804 31.001 -1.095 317 HG SER 38 HG SER 38 5.574 28.915 -2.579 318 H LYS 39 H LYS 39 7.124 31.665 -3.829 319 HA LYS 39 HA LYS 39 9.579 33.246 -3.754 320 HB2 LYS 39 HB2 LYS 39 7.107 33.931 -5.324 321 HB3 LYS 39 HB3 LYS 39 8.773 34.397 -5.643 322 HG2 LYS 39 HG2 LYS 39 7.490 31.712 -6.047 323 HG3 LYS 39 HG3 LYS 39 8.206 32.777 -7.259 324 HD2 LYS 39 HD2 LYS 39 9.770 31.519 -5.010 325 HD3 LYS 39 HD3 LYS 39 9.609 30.793 -6.611 326 HE2 LYS 39 HE2 LYS 39 11.541 31.937 -6.952 327 HE3 LYS 39 HE3 LYS 39 10.404 33.223 -7.352 328 HZ1 LYS 39 HZ1 LYS 39 11.402 32.885 -4.595 329 HZ2 LYS 39 HZ2 LYS 39 10.745 34.263 -5.322 330 HZ3 LYS 39 HZ3 LYS 39 12.299 33.745 -5.743 331 H ASP 40 H ASP 40 7.043 32.958 -1.800 332 HA ASP 40 HA ASP 40 7.397 35.535 -0.632 333 HB2 ASP 40 HB2 ASP 40 5.733 35.843 -2.611 334 HB3 ASP 40 HB3 ASP 40 4.581 35.038 -1.549 335 H PHE 41 H PHE 41 7.792 33.014 0.365 336 HA PHE 41 HA PHE 41 5.590 32.730 2.301 337 HB2 PHE 41 HB2 PHE 41 5.598 30.744 0.991 338 HB3 PHE 41 HB3 PHE 41 7.354 30.624 1.057 339 HD1 PHE 41 HD1 PHE 41 4.266 30.324 3.063 340 HD2 PHE 41 HD2 PHE 41 8.432 29.487 2.811 341 HE1 PHE 41 HE1 PHE 41 4.085 28.849 5.023 342 HE2 PHE 41 HE2 PHE 41 8.257 28.011 4.771 343 HZ PHE 41 HZ PHE 41 6.082 27.689 5.880 344 H ASN 42 H ASN 42 9.048 31.931 1.928 345 HA ASN 42 HA ASN 42 9.701 31.706 4.600 346 HB2 ASN 42 HB2 ASN 42 11.978 31.980 3.963 347 HB3 ASN 42 HB3 ASN 42 11.176 31.211 2.596 348 HD21 ASN 42 HD21 ASN 42 12.622 34.128 3.806 349 H ARG 43 H ARG 43 9.826 33.074 6.256 350 HA ARG 43 HA ARG 43 9.446 35.923 5.745 351 HB2 ARG 43 HB2 ARG 43 8.818 34.078 7.933 352 HB3 ARG 43 HB3 ARG 43 9.466 35.619 8.479 353 HG2 ARG 43 HG2 ARG 43 7.361 36.338 8.357 354 HG3 ARG 43 HG3 ARG 43 7.628 36.398 6.614 355 HD2 ARG 43 HD2 ARG 43 6.862 33.979 6.562 356 HD3 ARG 43 HD3 ARG 43 6.328 34.217 8.226 357 HE ARG 43 HE ARG 43 5.235 36.266 6.692 358 HH11 ARG 43 HH11 ARG 43 5.029 32.800 6.952 359 HH12 ARG 43 HH12 ARG 43 3.390 32.725 6.396 360 HH21 ARG 43 HH21 ARG 43 3.077 36.179 5.958 361 HH22 ARG 43 HH22 ARG 43 2.281 34.648 5.829 362 H SER 44 H SER 44 11.602 36.298 4.971 363 HA SER 44 HA SER 44 13.995 35.725 6.102 364 HB2 SER 44 HB2 SER 44 14.897 37.677 5.056 365 HB3 SER 44 HB3 SER 44 13.571 37.124 4.033 366 HG SER 44 HG SER 44 12.631 38.964 4.358 367 H LYS 45 H LYS 45 15.263 36.438 7.769 368 HA LYS 45 HA LYS 45 13.874 37.941 9.863 369 HB2 LYS 45 HB2 LYS 45 16.481 36.434 10.081 370 HB3 LYS 45 HB3 LYS 45 15.478 37.022 11.401 371 HG2 LYS 45 HG2 LYS 45 14.679 34.941 11.461 372 HG3 LYS 45 HG3 LYS 45 13.735 35.421 10.048 373 HD2 LYS 45 HD2 LYS 45 16.379 34.641 9.244 374 HD3 LYS 45 HD3 LYS 45 15.647 33.369 10.226 375 HE2 LYS 45 HE2 LYS 45 14.460 34.650 7.766 376 HE3 LYS 45 HE3 LYS 45 15.136 33.026 7.878 377 HZ1 LYS 45 HZ1 LYS 45 13.186 32.275 8.559 378 HZ2 LYS 45 HZ2 LYS 45 12.518 33.818 8.376 379 HZ3 LYS 45 HZ3 LYS 45 13.171 33.351 9.865 380 H ALA 46 H ALA 46 17.288 37.714 8.861 381 HA ALA 46 HA ALA 46 17.895 40.341 9.747 382 HB1 ALA 46 HB1 ALA 46 19.599 38.971 7.725 383 HB2 ALA 46 HB2 ALA 46 20.064 39.893 9.156 384 HB3 ALA 46 HB3 ALA 46 19.434 38.255 9.328 385 H LEU 47 H LEU 47 16.764 39.020 6.738 386 HA LEU 47 HA LEU 47 16.064 39.991 4.805 387 HB2 LEU 47 HB2 LEU 47 16.395 42.678 6.095 388 HB3 LEU 47 HB3 LEU 47 15.253 42.189 4.846 389 HG LEU 47 HG LEU 47 14.677 40.623 7.116 390 HD11 LEU 47 HD11 LEU 47 15.242 43.501 7.759 391 HD12 LEU 47 HD12 LEU 47 15.793 42.055 8.605 392 HD13 LEU 47 HD13 LEU 47 14.097 42.534 8.690 393 HD21 LEU 47 HD21 LEU 47 13.118 43.057 6.370 394 HD22 LEU 47 HD22 LEU 47 12.547 41.451 6.824 395 HD23 LEU 47 HD23 LEU 47 13.251 41.719 5.229 396 H PHE 48 H PHE 48 16.730 41.959 3.246 397 HA PHE 48 HA PHE 48 19.267 41.421 2.306 398 HB2 PHE 48 HB2 PHE 48 18.987 43.225 0.806 399 HB3 PHE 48 HB3 PHE 48 17.356 42.650 1.134 400 HD1 PHE 48 HD2 PHE 48 16.499 43.850 3.519 401 HD2 PHE 48 HD1 PHE 48 19.049 45.494 0.534 402 HE1 PHE 48 HE2 PHE 48 15.837 46.118 4.207 403 HE2 PHE 48 HE1 PHE 48 18.392 47.764 1.218 404 HZ PHE 48 HZ PHE 48 16.783 48.079 3.056 405 H SER 49 H SER 49 18.287 43.581 4.833 406 HA SER 49 HA SER 49 19.425 45.002 6.206 407 HB2 SER 49 HB2 SER 49 21.839 43.282 5.636 408 HB3 SER 49 HB3 SER 49 21.457 44.162 7.116 409 HG SER 49 HG SER 49 20.969 41.699 6.747 410 H GLN 50 H GLN 50 21.954 45.982 6.322 411 HA GLN 50 HA GLN 50 21.955 47.973 4.349 412 HB2 GLN 50 HB2 GLN 50 22.986 48.323 6.524 413 HB3 GLN 50 HB3 GLN 50 24.178 47.075 6.190 414 HG2 GLN 50 HG2 GLN 50 25.329 48.392 4.680 415 HG3 GLN 50 HG3 GLN 50 23.948 49.449 4.394 416 HE21 GLN 50 HE21 GLN 50 24.305 51.402 5.136 417 HE22 GLN 50 HE22 GLN 50 25.133 51.809 6.597 418 H SER 51 H SER 51 23.382 44.817 4.433 419 HA SER 51 HA SER 51 23.924 44.772 1.679 420 HB2 SER 51 HB2 SER 51 26.133 45.689 3.430 421 HB3 SER 51 HB3 SER 51 26.553 44.474 2.224 422 HG SER 51 HG SER 51 26.413 46.991 1.790 423 H ALA 52 H ALA 52 22.691 42.855 2.263 424 HA ALA 52 HA ALA 52 23.997 40.781 3.786 425 HB1 ALA 52 HB1 ALA 52 21.994 39.424 2.998 426 HB2 ALA 52 HB2 ALA 52 21.661 40.818 4.025 427 HB3 ALA 52 HB3 ALA 52 21.400 40.923 2.284 428 H ILE 53 H ILE 53 22.841 41.011 0.415 429 HA ILE 53 HA ILE 53 25.180 39.478 -0.441 430 HB ILE 53 HB ILE 53 22.633 38.694 -1.732 431 HG12 ILE 53 HG12 ILE 53 23.390 37.882 1.076 432 HG13 ILE 53 HG13 ILE 53 21.872 38.586 0.530 433 HG21 ILE 53 HG21 ILE 53 24.959 37.030 -0.791 434 HG22 ILE 53 HG22 ILE 53 23.733 36.597 -1.981 435 HG23 ILE 53 HG23 ILE 53 24.914 37.854 -2.349 436 HD11 ILE 53 HD11 ILE 53 22.825 35.798 0.413 437 HD12 ILE 53 HD12 ILE 53 21.203 36.440 0.674 438 HD13 ILE 53 HD13 ILE 53 21.871 36.371 -0.955 439 H SER 54 H SER 54 25.676 39.691 -2.680 440 HA SER 54 HA SER 54 24.931 42.265 -3.743 441 HB2 SER 54 HB2 SER 54 26.451 41.127 -5.700 442 HB3 SER 54 HB3 SER 54 27.109 42.000 -4.316 443 HG SER 54 HG SER 54 27.035 39.262 -4.831 444 H GLN 55 H GLN 55 22.693 41.924 -4.155 445 HA GLN 55 HA GLN 55 21.519 39.928 -5.632 446 HB2 GLN 55 HB2 GLN 55 20.811 42.865 -5.740 447 HB3 GLN 55 HB3 GLN 55 19.753 41.529 -6.178 448 HG2 GLN 55 HG2 GLN 55 20.095 40.725 -3.771 449 HG3 GLN 55 HG3 GLN 55 20.719 42.345 -3.465 450 HE21 GLN 55 HE21 GLN 55 17.995 40.967 -5.281 451 HE22 GLN 55 HE22 GLN 55 16.793 41.999 -4.594 452 H LYS 56 H LYS 56 23.569 42.498 -6.728 453 HA LYS 56 HA LYS 56 22.914 42.733 -9.394 454 HB2 LYS 56 HB2 LYS 56 25.367 43.216 -9.750 455 HB3 LYS 56 HB3 LYS 56 24.583 44.168 -8.496 456 HG2 LYS 56 HG2 LYS 56 25.656 43.020 -6.779 457 HG3 LYS 56 HG3 LYS 56 26.070 41.658 -7.823 458 HD2 LYS 56 HD2 LYS 56 27.321 43.727 -9.086 459 HD3 LYS 56 HD3 LYS 56 27.468 44.200 -7.391 460 HE2 LYS 56 HE2 LYS 56 28.193 41.689 -7.097 461 HE3 LYS 56 HE3 LYS 56 28.582 41.828 -8.811 462 HZ1 LYS 56 HZ1 LYS 56 29.545 44.004 -7.167 463 HZ2 LYS 56 HZ2 LYS 56 30.331 43.140 -8.390 464 HZ3 LYS 56 HZ3 LYS 56 30.247 42.502 -6.825 465 H GLU 57 H GLU 57 24.502 40.101 -7.755 466 HA GLU 57 HA GLU 57 24.359 38.528 -10.212 467 HB2 GLU 57 HB2 GLU 57 26.803 39.516 -9.126 468 HB3 GLU 57 HB3 GLU 57 26.765 37.774 -8.889 469 HG2 GLU 57 HG2 GLU 57 26.555 37.364 -11.200 470 HG3 GLU 57 HG3 GLU 57 26.191 39.054 -11.542 471 H TYR 58 H TYR 58 23.222 38.784 -7.327 472 HA TYR 58 HA TYR 58 23.173 35.896 -6.857 473 HB2 TYR 58 HB2 TYR 58 24.344 37.908 -5.076 474 HB3 TYR 58 HB3 TYR 58 23.153 36.881 -4.287 475 HD1 TYR 58 HD1 TYR 58 23.443 34.295 -4.768 476 HD2 TYR 58 HD2 TYR 58 26.539 37.189 -5.149 477 HE1 TYR 58 HE1 TYR 58 25.128 32.518 -4.532 478 HE2 TYR 58 HE2 TYR 58 28.231 35.420 -4.916 479 HH TYR 58 HH TYR 58 28.394 33.146 -3.945 480 H ASP 59 H ASP 59 21.550 35.572 -4.851 481 HA ASP 59 HA ASP 59 19.346 37.417 -4.814 482 HB2 ASP 59 HB2 ASP 59 19.338 35.159 -6.656 483 HB3 ASP 59 HB3 ASP 59 17.972 35.119 -5.544 484 H SER 60 H SER 60 17.535 36.577 -3.441 485 HA SER 60 HA SER 60 18.679 35.090 -1.201 486 HB2 SER 60 HB2 SER 60 16.053 35.978 -0.591 487 HB3 SER 60 HB3 SER 60 17.581 36.611 0.021 488 HG SER 60 HG SER 60 17.629 37.889 -1.969 489 H SER 61 H SER 61 16.280 34.822 -3.687 490 HA SER 61 HA SER 61 14.621 32.855 -2.590 491 HB2 SER 61 HB2 SER 61 13.619 32.850 -4.624 492 HB3 SER 61 HB3 SER 61 14.673 34.227 -4.948 493 HG SER 61 HG SER 61 14.625 31.876 -6.174 494 H LEU 62 H LEU 62 17.841 32.676 -3.797 495 HA LEU 62 HA LEU 62 17.759 29.778 -4.076 496 HB2 LEU 62 HB2 LEU 62 19.878 29.920 -5.055 497 HB3 LEU 62 HB3 LEU 62 19.005 31.330 -5.650 498 HG LEU 62 HG LEU 62 20.420 32.091 -3.304 499 HD11 LEU 62 HD11 LEU 62 21.971 30.410 -5.237 500 HD12 LEU 62 HD12 LEU 62 21.989 30.384 -3.475 501 HD13 LEU 62 HD13 LEU 62 22.742 31.721 -4.345 502 HD21 LEU 62 HD21 LEU 62 21.602 33.551 -4.977 503 HD22 LEU 62 HD22 LEU 62 19.841 33.662 -4.986 504 HD23 LEU 62 HD23 LEU 62 20.674 32.733 -6.234 505 H ALA 63 H ALA 63 17.935 31.800 -1.552 506 HA ALA 63 HA ALA 63 19.174 29.816 0.136 507 HB1 ALA 63 HB1 ALA 63 20.730 31.558 1.154 508 HB2 ALA 63 HB2 ALA 63 21.191 30.884 -0.410 509 HB3 ALA 63 HB3 ALA 63 20.464 32.489 -0.321 510 H THR 64 H THR 64 17.222 29.700 1.212 511 HA THR 64 HA THR 64 16.591 32.024 2.896 512 HB THR 64 HB THR 64 14.183 31.558 2.675 513 HG1 THR 64 HG1 THR 64 15.115 29.604 0.833 514 HG21 THR 64 HG21 THR 64 15.471 33.153 1.141 515 HG22 THR 64 HG22 THR 64 13.874 32.633 0.605 516 HG23 THR 64 HG23 THR 64 15.319 31.899 -0.089 517 H LEU 65 H LEU 65 17.667 28.992 2.887 518 HA LEU 65 HA LEU 65 17.618 27.198 4.304 519 HB2 LEU 65 HB2 LEU 65 17.028 28.525 6.744 520 HB3 LEU 65 HB3 LEU 65 18.583 27.947 6.148 521 HG LEU 65 HG LEU 65 18.300 30.322 4.813 522 HD11 LEU 65 HD11 LEU 65 17.651 31.195 7.542 523 HD12 LEU 65 HD12 LEU 65 16.308 30.496 6.637 524 HD13 LEU 65 HD13 LEU 65 17.185 31.880 5.984 525 HD21 LEU 65 HD21 LEU 65 19.648 30.937 7.180 526 HD22 LEU 65 HD22 LEU 65 20.350 30.347 5.672 527 HD23 LEU 65 HD23 LEU 65 19.892 29.207 6.939 528 H ASP 66 H ASP 66 15.044 27.941 3.138 529 HA ASP 66 HA ASP 66 12.922 27.864 4.929 530 HB2 ASP 66 HB2 ASP 66 13.255 27.709 2.130 531 HB3 ASP 66 HB3 ASP 66 12.283 26.314 2.591 532 H HIS 67 H HIS 67 11.503 26.123 5.530 533 HA HIS 67 HA HIS 67 12.882 23.525 5.720 534 HB2 HIS 67 HB2 HIS 67 10.968 24.677 7.756 535 HB3 HIS 67 HB3 HIS 67 11.909 23.195 7.905 536 HD1 HIS 67 HD1 HIS 67 11.998 25.821 9.785 537 HD2 HIS 67 HD2 HIS 67 14.801 24.649 6.950 538 HE1 HIS 67 HE1 HIS 67 14.151 26.921 10.474 539 H THR 68 H THR 68 11.668 21.664 5.452 540 HA THR 68 HA THR 68 8.856 22.018 4.670 541 HB THR 68 HB THR 68 10.927 20.409 3.168 542 HG1 THR 68 HG1 THR 68 9.395 22.725 2.560 543 HG21 THR 68 HG21 THR 68 8.067 20.060 3.385 544 HG22 THR 68 HG22 THR 68 9.257 19.063 2.549 545 HG23 THR 68 HG23 THR 68 8.534 20.447 1.729 546 H GLU 69 H GLU 69 7.700 20.903 6.099 547 HA GLU 69 HA GLU 69 8.802 18.580 7.427 548 HB2 GLU 69 HB2 GLU 69 5.996 19.642 7.707 549 HB3 GLU 69 HB3 GLU 69 6.906 18.670 8.856 550 HG2 GLU 69 HG2 GLU 69 8.397 20.524 9.292 551 HG3 GLU 69 HG3 GLU 69 7.572 21.501 8.079 552 H ILE 70 H ILE 70 8.807 16.721 6.342 553 HA ILE 70 HA ILE 70 6.982 16.102 4.252 554 HB ILE 70 HB ILE 70 8.920 14.352 5.765 555 HG12 ILE 70 HG12 ILE 70 9.984 14.481 3.359 556 HG13 ILE 70 HG13 ILE 70 9.023 15.951 3.235 557 HG21 ILE 70 HG21 ILE 70 8.524 12.990 3.506 558 HG22 ILE 70 HG22 ILE 70 7.578 12.708 4.967 559 HG23 ILE 70 HG23 ILE 70 6.925 13.715 3.675 560 HD11 ILE 70 HD11 ILE 70 10.178 16.967 5.020 561 HD12 ILE 70 HD12 ILE 70 10.937 15.445 5.490 562 HD13 ILE 70 HD13 ILE 70 11.404 16.236 3.985 563 H LYS 71 H LYS 71 4.875 16.019 4.851 564 HA LYS 71 HA LYS 71 4.110 14.408 7.168 565 HB2 LYS 71 HB2 LYS 71 1.997 15.693 5.565 566 HB3 LYS 71 HB3 LYS 71 2.235 15.671 7.307 567 HG2 LYS 71 HG2 LYS 71 4.150 17.313 6.877 568 HG3 LYS 71 HG3 LYS 71 3.439 17.510 5.273 569 HD2 LYS 71 HD2 LYS 71 2.006 18.978 6.128 570 HD3 LYS 71 HD3 LYS 71 1.322 17.692 7.124 571 HE2 LYS 71 HE2 LYS 71 3.793 18.640 8.253 572 HE3 LYS 71 HE3 LYS 71 2.685 19.984 7.985 573 HZ1 LYS 71 HZ1 LYS 71 2.573 18.674 10.187 574 HZ2 LYS 71 HZ2 LYS 71 1.724 17.523 9.284 575 HZ3 LYS 71 HZ3 LYS 71 1.129 19.102 9.415 576 H ALA 72 H ALA 72 2.503 12.763 7.014 577 HA ALA 72 HA ALA 72 2.838 11.064 4.754 578 HB1 ALA 72 HB1 ALA 72 1.353 10.931 7.319 579 HB2 ALA 72 HB2 ALA 72 0.847 9.851 6.019 580 HB3 ALA 72 HB3 ALA 72 2.507 9.797 6.615 581 HA PRO 73 HA PRO 73 -0.413 12.507 2.154 582 HB2 PRO 73 HB2 PRO 73 -0.812 10.256 0.690 583 HB3 PRO 73 HB3 PRO 73 0.598 11.301 0.480 584 HG2 PRO 73 HG2 PRO 73 0.352 8.734 2.001 585 HG3 PRO 73 HG3 PRO 73 1.655 9.279 0.928 586 HD2 PRO 73 HD2 PRO 73 1.837 9.414 3.627 587 HD3 PRO 73 HD3 PRO 73 2.615 10.597 2.557 588 H PHE 74 H PHE 74 -0.787 9.508 3.960 589 HA PHE 74 HA PHE 74 -3.457 10.168 4.710 590 HB2 PHE 74 HB2 PHE 74 -4.182 7.786 3.680 591 HB3 PHE 74 HB3 PHE 74 -4.412 9.311 2.833 592 HD1 PHE 74 HD2 PHE 74 -1.686 6.804 3.317 593 HD2 PHE 74 HD1 PHE 74 -3.809 9.330 0.628 594 HE1 PHE 74 HE2 PHE 74 -0.312 5.971 1.454 595 HE2 PHE 74 HE1 PHE 74 -2.438 8.499 -1.239 596 HZ PHE 74 HZ PHE 74 -0.686 6.818 -0.827 597 H ASP 75 H ASP 75 -4.215 8.904 6.412 598 HA ASP 75 HA ASP 75 -2.438 7.879 8.206 599 HB2 ASP 75 HB2 ASP 75 -4.639 8.289 8.966 600 HB3 ASP 75 HB3 ASP 75 -5.343 7.220 7.755 601 H GLY 76 H GLY 76 -1.510 5.924 8.673 602 HA2 GLY 76 HA2 GLY 76 -2.224 3.452 7.546 603 HA3 GLY 76 HA3 GLY 76 -0.961 4.165 6.554 604 H THR 77 H THR 77 0.721 2.845 7.016 605 HA THR 77 HA THR 77 1.604 2.782 9.827 606 HB THR 77 HB THR 77 2.093 0.541 7.865 607 HG1 THR 77 HG1 THR 77 0.406 -0.541 9.024 608 HG21 THR 77 HG21 THR 77 3.690 0.533 9.632 609 HG22 THR 77 HG22 THR 77 2.501 -0.711 10.016 610 HG23 THR 77 HG23 THR 77 2.447 0.846 10.843 611 H ILE 78 H ILE 78 3.906 2.619 10.144 612 HA ILE 78 HA ILE 78 5.449 3.657 7.857 613 HB ILE 78 HB ILE 78 5.279 5.405 9.477 614 HG12 ILE 78 HG12 ILE 78 7.944 4.547 10.337 615 HG13 ILE 78 HG13 ILE 78 7.682 4.370 8.606 616 HG21 ILE 78 HG21 ILE 78 4.606 4.422 11.463 617 HG22 ILE 78 HG22 ILE 78 5.910 3.239 11.439 618 HG23 ILE 78 HG23 ILE 78 6.257 4.923 11.827 619 HD11 ILE 78 HD11 ILE 78 7.089 6.713 8.437 620 HD12 ILE 78 HD12 ILE 78 7.285 6.902 10.180 621 HD13 ILE 78 HD13 ILE 78 8.680 6.522 9.170 622 H GLY 79 H GLY 79 7.293 2.636 7.307 623 HA2 GLY 79 HA2 GLY 79 7.930 0.174 8.733 624 HA3 GLY 79 HA3 GLY 79 8.548 0.658 7.161 625 H ASP 80 H ASP 80 8.599 2.708 10.007 626 HA ASP 80 HA ASP 80 10.303 3.625 11.202 627 HB2 ASP 80 HB2 ASP 80 10.710 1.221 11.773 628 HB3 ASP 80 HB3 ASP 80 11.861 1.148 10.442 629 H ALA 81 H ALA 81 12.516 4.544 11.022 630 HA ALA 81 HA ALA 81 12.915 5.576 8.371 631 HB1 ALA 81 HB1 ALA 81 14.166 7.203 9.341 632 HB2 ALA 81 HB2 ALA 81 13.278 6.672 10.770 633 HB3 ALA 81 HB3 ALA 81 14.921 6.095 10.488 634 H LEU 82 H LEU 82 14.999 5.562 7.269 635 HA LEU 82 HA LEU 82 16.551 3.115 7.796 636 HB2 LEU 82 HB2 LEU 82 16.347 2.401 5.685 637 HB3 LEU 82 HB3 LEU 82 14.924 3.439 5.661 638 HG LEU 82 HG LEU 82 16.627 5.242 4.813 639 HD11 LEU 82 HD11 LEU 82 18.624 4.573 4.058 640 HD12 LEU 82 HD12 LEU 82 17.985 3.065 3.407 641 HD13 LEU 82 HD13 LEU 82 18.388 3.185 5.119 642 HD21 LEU 82 HD21 LEU 82 15.797 4.903 2.706 643 HD22 LEU 82 HD22 LEU 82 14.666 3.932 3.649 644 HD23 LEU 82 HD23 LEU 82 15.994 3.152 2.789 645 H VAL 83 H VAL 83 16.529 6.468 6.918 646 HA VAL 83 HA VAL 83 19.447 6.471 6.601 647 HB VAL 83 HB VAL 83 19.250 8.665 5.645 648 HG11 VAL 83 HG11 VAL 83 16.963 7.167 4.420 649 HG12 VAL 83 HG12 VAL 83 18.218 8.124 3.631 650 HG13 VAL 83 HG13 VAL 83 18.611 6.549 4.320 651 HG21 VAL 83 HG21 VAL 83 16.917 9.636 5.322 652 HG22 VAL 83 HG22 VAL 83 16.395 8.502 6.568 653 HG23 VAL 83 HG23 VAL 83 17.604 9.729 6.943 654 H ASN 84 H ASN 84 20.232 8.874 7.377 655 HA ASN 84 HA ASN 84 19.466 9.025 10.218 656 HB2 ASN 84 HB2 ASN 84 22.147 9.704 8.990 657 HB3 ASN 84 HB3 ASN 84 21.746 9.745 10.704 658 HD21 ASN 84 HD21 ASN 84 23.049 7.930 8.241 659 HD22 ASN 84 HD22 ASN 84 23.030 6.382 9.008 660 H ILE 85 H ILE 85 19.896 11.194 11.216 661 HA ILE 85 HA ILE 85 18.669 13.227 9.571 662 HB ILE 85 HB ILE 85 19.573 13.314 12.451 663 HG12 ILE 85 HG12 ILE 85 16.821 13.023 11.226 664 HG13 ILE 85 HG13 ILE 85 17.728 11.747 12.030 665 HG21 ILE 85 HG21 ILE 85 18.141 15.351 12.571 666 HG22 ILE 85 HG22 ILE 85 19.587 15.542 11.579 667 HG23 ILE 85 HG23 ILE 85 18.017 15.305 10.811 668 HD11 ILE 85 HD11 ILE 85 17.664 13.097 14.109 669 HD12 ILE 85 HD12 ILE 85 16.616 14.245 13.277 670 HD13 ILE 85 HD13 ILE 85 16.077 12.586 13.533 671 H GLY 86 H GLY 86 19.538 15.295 9.149 672 HA2 GLY 86 HA2 GLY 86 21.202 16.883 8.850 673 HA3 GLY 86 HA3 GLY 86 22.284 15.883 9.811 674 H ASP 87 H ASP 87 20.708 14.252 7.265 675 HA ASP 87 HA ASP 87 23.172 14.391 5.656 676 HB2 ASP 87 HB2 ASP 87 21.796 12.155 6.720 677 HB3 ASP 87 HB3 ASP 87 21.564 12.117 4.974 678 H TYR 88 H TYR 88 23.047 14.897 3.534 679 HA TYR 88 HA TYR 88 20.758 16.214 2.557 680 HB2 TYR 88 HB2 TYR 88 23.022 16.749 1.781 681 HB3 TYR 88 HB3 TYR 88 23.153 15.158 1.037 682 HD1 TYR 88 HD2 TYR 88 21.686 14.597 -0.913 683 HD2 TYR 88 HD1 TYR 88 21.938 18.539 0.667 684 HE1 TYR 88 HE2 TYR 88 20.726 15.487 -2.995 685 HE2 TYR 88 HE1 TYR 88 20.978 19.440 -1.410 686 HH TYR 88 HH TYR 88 20.073 18.954 -3.382 687 H VAL 89 H VAL 89 19.232 15.636 1.031 688 HA VAL 89 HA VAL 89 19.232 12.915 -0.015 689 HB VAL 89 HB VAL 89 16.748 12.756 0.698 690 HG11 VAL 89 HG11 VAL 89 18.992 12.414 2.683 691 HG12 VAL 89 HG12 VAL 89 17.390 11.688 2.828 692 HG13 VAL 89 HG13 VAL 89 18.448 11.232 1.492 693 HG21 VAL 89 HG21 VAL 89 16.530 15.024 1.551 694 HG22 VAL 89 HG22 VAL 89 16.242 13.851 2.835 695 HG23 VAL 89 HG23 VAL 89 17.781 14.709 2.753 696 H SER 90 H SER 90 17.598 12.578 -1.673 697 HA SER 90 HA SER 90 17.290 14.927 -3.312 698 HB2 SER 90 HB2 SER 90 16.832 11.995 -3.669 699 HB3 SER 90 HB3 SER 90 16.020 13.112 -4.768 700 HG SER 90 HG SER 90 18.759 13.445 -4.276 701 H ALA 91 H ALA 91 14.976 14.705 -4.619 702 HA ALA 91 HA ALA 91 13.069 15.670 -2.707 703 HB1 ALA 91 HB1 ALA 91 13.154 15.415 -5.676 704 HB2 ALA 91 HB2 ALA 91 11.603 15.682 -4.878 705 HB3 ALA 91 HB3 ALA 91 12.912 16.846 -4.673 706 H SER 92 H SER 92 12.151 13.517 -5.332 707 HA SER 92 HA SER 92 10.611 11.927 -3.417 708 HB2 SER 92 HB2 SER 92 9.245 12.697 -5.195 709 HB3 SER 92 HB3 SER 92 10.449 12.269 -6.410 710 HG SER 92 HG SER 92 9.774 10.264 -6.382 711 H THR 93 H THR 93 13.586 11.822 -4.760 712 HA THR 93 HA THR 93 13.665 9.007 -5.435 713 HB THR 93 HB THR 93 16.147 10.628 -5.045 714 HG1 THR 93 HG1 THR 93 15.744 11.298 -7.332 715 HG21 THR 93 HG21 THR 93 16.971 8.775 -5.975 716 HG22 THR 93 HG22 THR 93 16.170 9.254 -7.473 717 HG23 THR 93 HG23 THR 93 15.356 8.170 -6.345 718 H THR 94 H THR 94 14.200 10.996 -2.670 719 HA THR 94 HA THR 94 15.783 9.012 -1.268 720 HB THR 94 HB THR 94 16.223 11.406 -0.891 721 HG1 THR 94 HG1 THR 94 15.785 11.185 1.564 722 HG21 THR 94 HG21 THR 94 14.693 12.872 0.110 723 HG22 THR 94 HG22 THR 94 13.635 11.558 0.627 724 HG23 THR 94 HG23 THR 94 13.727 11.998 -1.079 725 H GLU 95 H GLU 95 14.738 7.242 -0.601 726 HA GLU 95 HA GLU 95 12.019 7.512 0.469 727 HB2 GLU 95 HB2 GLU 95 12.061 4.966 0.313 728 HB3 GLU 95 HB3 GLU 95 12.050 5.856 -1.203 729 HG2 GLU 95 HG2 GLU 95 13.990 4.986 -1.836 730 HG3 GLU 95 HG3 GLU 95 14.743 5.332 -0.280 731 H LEU 96 H LEU 96 13.482 8.551 2.289 732 HA LEU 96 HA LEU 96 14.987 7.011 4.031 733 HB2 LEU 96 HB2 LEU 96 13.965 8.689 5.780 734 HB3 LEU 96 HB3 LEU 96 15.119 9.218 4.559 735 HG LEU 96 HG LEU 96 13.054 10.676 5.011 736 HD11 LEU 96 HD11 LEU 96 13.774 11.622 3.143 737 HD12 LEU 96 HD12 LEU 96 12.893 10.426 2.192 738 HD13 LEU 96 HD13 LEU 96 14.560 10.114 2.674 739 HD21 LEU 96 HD21 LEU 96 11.008 10.088 4.074 740 HD22 LEU 96 HD22 LEU 96 11.550 8.592 4.833 741 HD23 LEU 96 HD23 LEU 96 11.715 8.807 3.090 742 H VAL 97 H VAL 97 11.609 6.945 3.448 743 HA VAL 97 HA VAL 97 11.234 4.668 5.104 744 HB VAL 97 HB VAL 97 11.209 6.542 6.803 745 HG11 VAL 97 HG11 VAL 97 9.693 8.216 6.756 746 HG12 VAL 97 HG12 VAL 97 9.700 7.883 5.024 747 HG13 VAL 97 HG13 VAL 97 8.435 7.205 6.050 748 HG21 VAL 97 HG21 VAL 97 8.514 5.383 6.963 749 HG22 VAL 97 HG22 VAL 97 9.809 4.218 6.692 750 HG23 VAL 97 HG23 VAL 97 9.862 5.285 8.095 751 H ARG 98 H ARG 98 9.405 3.556 4.554 752 HA ARG 98 HA ARG 98 7.658 4.839 2.557 753 HB2 ARG 98 HB2 ARG 98 7.381 2.711 1.491 754 HB3 ARG 98 HB3 ARG 98 9.104 2.983 1.706 755 HG2 ARG 98 HG2 ARG 98 7.595 1.436 3.760 756 HG3 ARG 98 HG3 ARG 98 8.061 0.662 2.244 757 HD2 ARG 98 HD2 ARG 98 10.394 1.802 2.877 758 HD3 ARG 98 HD3 ARG 98 9.733 1.602 4.499 759 HE ARG 98 HE ARG 98 10.786 -0.438 2.840 760 HH11 ARG 98 HH11 ARG 98 8.271 0.197 5.161 761 HH12 ARG 98 HH12 ARG 98 8.163 -1.449 5.691 762 HH21 ARG 98 HH21 ARG 98 10.654 -2.608 3.528 763 HH22 ARG 98 HH22 ARG 98 9.520 -3.044 4.761 764 H VAL 99 H VAL 99 5.436 4.426 2.633 765 HA VAL 99 HA VAL 99 4.469 3.644 5.281 766 HB VAL 99 HB VAL 99 3.746 5.824 4.322 767 HG11 VAL 99 HG11 VAL 99 2.070 5.823 2.526 768 HG12 VAL 99 HG12 VAL 99 3.624 5.189 1.980 769 HG13 VAL 99 HG13 VAL 99 2.293 4.084 2.331 770 HG21 VAL 99 HG21 VAL 99 2.333 5.061 5.996 771 HG22 VAL 99 HG22 VAL 99 1.225 5.332 4.651 772 HG23 VAL 99 HG23 VAL 99 1.764 3.696 5.034 773 H THR 100 H THR 100 3.118 1.953 5.638 774 HA THR 100 HA THR 100 2.321 0.341 3.304 775 HB THR 100 HB THR 100 2.696 -1.699 4.594 776 HG1 THR 100 HG1 THR 100 3.077 -1.618 6.678 777 HG21 THR 100 HG21 THR 100 4.553 -1.132 3.267 778 HG22 THR 100 HG22 THR 100 5.232 -1.468 4.861 779 HG23 THR 100 HG23 THR 100 5.012 0.199 4.328 780 H ASN 101 H ASN 101 0.581 -1.300 3.935 781 HA ASN 101 HA ASN 101 -1.533 -1.731 4.657 782 HB2 ASN 101 HB2 ASN 101 -0.236 -1.416 6.920 783 HB3 ASN 101 HB3 ASN 101 -1.170 0.074 7.020 784 HD21 ASN 101 HD21 ASN 101 -2.344 -0.608 8.785 785 HD22 ASN 101 HD22 ASN 101 -3.557 -1.834 8.681 786 H LEU 102 H LEU 102 -2.253 -0.478 2.822 787 HA LEU 102 HA LEU 102 -3.915 1.755 3.656 788 HB2 LEU 102 HB2 LEU 102 -1.462 2.143 2.286 789 HB3 LEU 102 HB3 LEU 102 -2.770 2.499 1.159 790 HG LEU 102 HG LEU 102 -2.146 4.549 2.172 791 HD11 LEU 102 HD11 LEU 102 -4.617 3.937 2.002 792 HD12 LEU 102 HD12 LEU 102 -4.186 5.291 3.045 793 HD13 LEU 102 HD13 LEU 102 -4.560 3.718 3.751 794 HD21 LEU 102 HD21 LEU 102 -2.699 3.604 4.938 795 HD22 LEU 102 HD22 LEU 102 -1.631 4.889 4.373 796 HD23 LEU 102 HD23 LEU 102 -1.145 3.201 4.207 797 H ASN 103 H ASN 103 -2.812 0.443 0.530 798 HA ASN 103 HA ASN 103 -5.633 -0.067 -0.140 799 HB2 ASN 103 HB2 ASN 103 -4.558 -0.151 -2.546 800 HB3 ASN 103 HB3 ASN 103 -4.935 1.393 -1.786 801 HD21 ASN 103 HD21 ASN 103 -3.403 2.558 -2.867 802 HD22 ASN 103 HD22 ASN 103 -1.706 2.356 -2.616 803 HA PRO 104 HA PRO 104 -4.934 -4.392 -0.397 804 HB2 PRO 104 HB2 PRO 104 -6.602 -5.079 -2.427 805 HB3 PRO 104 HB3 PRO 104 -7.181 -4.610 -0.823 806 HG2 PRO 104 HG2 PRO 104 -6.998 -2.975 -3.325 807 HG3 PRO 104 HG3 PRO 104 -8.310 -3.056 -2.134 808 HD2 PRO 104 HD2 PRO 104 -6.497 -1.045 -2.172 809 HD3 PRO 104 HD3 PRO 104 -7.236 -1.636 -0.669 810 H ILE 105 H ILE 105 -2.761 -4.451 -1.084 811 HA ILE 105 HA ILE 105 -2.223 -4.402 -3.951 812 HB ILE 105 HB ILE 105 -0.216 -4.893 -1.759 813 HG12 ILE 105 HG12 ILE 105 -1.344 -2.796 -1.254 814 HG13 ILE 105 HG13 ILE 105 0.274 -2.466 -1.865 815 HG21 ILE 105 HG21 ILE 105 -0.121 -4.621 -4.643 816 HG22 ILE 105 HG22 ILE 105 0.952 -3.484 -3.830 817 HG23 ILE 105 HG23 ILE 105 1.105 -5.213 -3.524 818 HD11 ILE 105 HD11 ILE 105 -2.350 -1.799 -2.995 819 HD12 ILE 105 HD12 ILE 105 -0.801 -0.965 -3.133 820 HD13 ILE 105 HD13 ILE 105 -1.146 -2.361 -4.154 821 H TYR 106 H TYR 106 -3.428 -6.628 -1.970 822 HA TYR 106 HA TYR 106 -3.715 -8.883 -2.207 823 HB2 TYR 106 HB2 TYR 106 -1.611 -8.935 -4.356 824 HB3 TYR 106 HB3 TYR 106 -2.985 -10.012 -4.139 825 HD1 TYR 106 HD2 TYR 106 -5.271 -8.315 -3.916 826 HD2 TYR 106 HD1 TYR 106 -1.820 -7.796 -6.351 827 HE1 TYR 106 HE2 TYR 106 -6.590 -6.955 -5.484 828 HE2 TYR 106 HE1 TYR 106 -3.130 -6.433 -7.925 829 HH TYR 106 HH TYR 106 -6.316 -6.406 -8.125 830 H ALA 107 H ALA 107 -0.280 -8.185 -2.882 831 HA ALA 107 HA ALA 107 1.643 -8.930 -1.917 832 HB1 ALA 107 HB1 ALA 107 1.691 -8.212 0.179 833 HB2 ALA 107 HB2 ALA 107 -0.071 -8.116 0.166 834 HB3 ALA 107 HB3 ALA 107 0.729 -9.593 0.706 835 H ASP 108 H ASP 108 1.912 -10.831 -3.066 836 HA ASP 108 HA ASP 108 1.474 -13.264 -1.521 837 HB2 ASP 108 HB2 ASP 108 -0.091 -12.564 -3.829 838 HB3 ASP 108 HB3 ASP 108 0.886 -13.985 -4.189 839 H GLY 109 H GLY 109 3.732 -11.514 -2.489 840 HA2 GLY 109 HA2 GLY 109 5.609 -13.552 -2.982 841 HA3 GLY 109 HA3 GLY 109 5.186 -12.799 -4.513 842 H SER 110 H SER 110 7.543 -12.817 -2.400 843 HA SER 110 HA SER 110 7.911 -9.923 -2.186 844 HB2 SER 110 HB2 SER 110 8.354 -11.726 -0.306 845 HB3 SER 110 HB3 SER 110 9.905 -11.886 -1.130 846 HG SER 110 HG SER 110 9.313 -10.108 0.641 847 H HIS 111 H HIS 111 9.293 -12.768 -3.710 848 HA HIS 111 HA HIS 111 11.698 -11.780 -4.639 849 HB2 HIS 111 HB2 HIS 111 9.938 -13.980 -5.289 850 HB3 HIS 111 HB3 HIS 111 10.677 -13.325 -6.749 851 HD1 HIS 111 HD1 HIS 111 13.250 -13.546 -6.977 852 HD2 HIS 111 HD2 HIS 111 11.681 -15.296 -3.551 853 HE1 HIS 111 HE1 HIS 111 15.093 -14.986 -6.054 854 H HIS 112 H HIS 112 12.370 -10.696 -6.487 855 HA HIS 112 HA HIS 112 10.521 -9.762 -8.463 856 HB2 HIS 112 HB2 HIS 112 10.660 -7.392 -7.995 857 HB3 HIS 112 HB3 HIS 112 10.029 -8.220 -6.574 858 HD1 HIS 112 HD1 HIS 112 12.488 -5.792 -7.548 859 HD2 HIS 112 HD2 HIS 112 12.202 -8.682 -4.578 860 HE1 HIS 112 HE1 HIS 112 14.188 -5.143 -5.813 861 H HIS 113 H HIS 113 11.774 -7.800 -9.689 862 HA HIS 113 HA HIS 113 14.151 -9.041 -10.694 863 HB2 HIS 113 HB2 HIS 113 13.011 -6.313 -11.341 864 HB3 HIS 113 HB3 HIS 113 14.209 -7.195 -12.284 865 HD1 HIS 113 HD1 HIS 113 10.755 -6.461 -12.308 866 HD2 HIS 113 HD2 HIS 113 12.987 -9.875 -13.100 867 HE1 HIS 113 HE1 HIS 113 9.259 -7.938 -13.688 868 H HIS 114 H HIS 114 15.885 -7.060 -11.289 869 HA HIS 114 HA HIS 114 16.529 -5.278 -9.216 870 HB2 HIS 114 HB2 HIS 114 16.954 -7.740 -8.278 871 HB3 HIS 114 HB3 HIS 114 18.481 -7.526 -9.128 872 HD1 HIS 114 HD1 HIS 114 17.432 -7.357 -5.885 873 HD2 HIS 114 HD2 HIS 114 19.326 -4.563 -8.307 874 HE1 HIS 114 HE1 HIS 114 18.542 -5.743 -4.308 875 H HIS 115 H HIS 115 17.847 -7.440 -11.689 876 HA HIS 115 HA HIS 115 20.182 -6.091 -12.312 877 HB2 HIS 115 HB2 HIS 115 18.343 -7.890 -13.799 878 HB3 HIS 115 HB3 HIS 115 19.504 -6.972 -14.751 879 HD1 HIS 115 HD1 HIS 115 20.863 -9.057 -15.380 880 HD2 HIS 115 HD2 HIS 115 20.579 -8.414 -11.285 881 HE1 HIS 115 HE1 HIS 115 22.545 -10.608 -14.338 882 H HIS 116 H HIS 116 20.648 -4.759 -14.244 883 HA HIS 116 HA HIS 116 18.581 -2.693 -14.555 884 HB2 HIS 116 HB2 HIS 116 21.541 -2.653 -14.447 885 HB3 HIS 116 HB3 HIS 116 20.792 -1.530 -15.578 886 HD1 HIS 116 HD1 HIS 116 20.204 0.660 -14.603 887 HD2 HIS 116 HD2 HIS 116 20.332 -2.327 -11.718 888 HE1 HIS 116 HE1 HIS 116 19.779 1.822 -12.413 889 H2 B6D 117 H2 B6D 117 12.293 36.888 2.676 890 H1 B6D 117 H1 B6D 117 13.604 34.495 1.252 891 H3 B6D 117 H3 B6D 117 13.827 36.729 0.032 892 HN2 B6D 117 HN2 B6D 117 10.500 36.235 1.487 893 H5 B6D 117 H5 B6D 117 15.870 35.716 1.368 894 H8 B6D 117 H22 B6D 117 10.064 34.334 -1.633 895 H8A B6D 117 H21 B6D 117 9.316 35.801 -0.961 896 H8B B6D 117 H23 B6D 117 9.506 34.348 0.058 897 H4 B6D 117 H4 B6D 117 14.484 38.109 2.680 898 HN4 B6D 117 HN4 B6D 117 15.631 38.354 0.025 899 H9 B6D 117 H43 B6D 117 17.779 39.227 -0.302 900 H9A B6D 117 H41 B6D 117 17.283 40.826 0.313 901 H9B B6D 117 H42 B6D 117 18.666 39.983 1.054 902 H6 B6D 117 H62 B6D 117 17.572 36.651 2.697 903 H6A B6D 117 H63 B6D 117 16.427 37.333 3.870 904 H6B B6D 117 H61 B6D 117 16.763 35.594 3.868 905 H1 A2G 118 H1 A2G 118 14.176 38.880 -1.022 906 H2 A2G 118 H2 A2G 118 12.957 40.911 -1.800 907 H3 A2G 118 H3 A2G 118 11.173 40.319 0.612 908 H4 A2G 118 H4 A2G 118 9.388 40.126 -1.021 909 H5 A2G 118 H5 A2G 118 10.549 38.152 -0.581 910 H61 A2G 118 H61 A2G 118 9.744 38.327 -3.438 911 H62 A2G 118 H62 A2G 118 9.073 37.382 -2.101 912 H81 A2G 118 H81 A2G 118 15.555 43.936 0.575 913 H82 A2G 118 H82 A2G 118 15.398 42.475 1.584 914 H83 A2G 118 H83 A2G 118 14.274 43.836 1.822 915 HO3 A2G 118 HO3 A2G 118 11.332 42.476 0.593 916 HO6 A2G 118 HO6 A2G 118 11.683 36.829 -3.061 917 HN2 A2G 118 HN2 A2G 118 14.315 40.739 0.707 918 H1 A2G 119 H1 A2G 119 8.595 40.002 -3.301 919 H2 A2G 119 H2 A2G 119 8.670 41.094 -5.542 920 H3 A2G 119 H3 A2G 119 11.446 41.980 -4.611 921 H4 A2G 119 H4 A2G 119 10.593 44.233 -4.904 922 H5 A2G 119 H5 A2G 119 10.241 43.305 -2.794 923 H61 A2G 119 H61 A2G 119 7.545 44.580 -3.212 924 H62 A2G 119 H62 A2G 119 9.062 45.491 -3.165 925 H81 A2G 119 H81 A2G 119 9.800 37.200 -7.748 926 H82 A2G 119 H82 A2G 119 10.318 37.069 -6.049 927 H83 A2G 119 H83 A2G 119 11.430 37.752 -7.261 928 HO3 A2G 119 HO3 A2G 119 11.953 42.062 -6.615 929 HO6 A2G 119 HO6 A2G 119 8.052 45.307 -1.080 930 HN2 A2G 119 HN2 A2G 119 10.786 39.170 -4.846 931 H1 A2G 120 H1 A2G 120 8.990 45.799 -5.537 932 H2 A2G 120 H2 A2G 120 7.057 46.374 -7.002 933 H3 A2G 120 H3 A2G 120 6.725 43.335 -7.139 934 H4 A2G 120 H4 A2G 120 7.040 43.619 -9.528 935 H5 A2G 120 H5 A2G 120 8.997 43.298 -8.299 936 H61 A2G 120 H61 A2G 120 10.251 45.446 -9.891 937 H62 A2G 120 H62 A2G 120 9.246 44.286 -10.768 938 H81 A2G 120 H81 A2G 120 4.795 47.162 -3.170 939 H82 A2G 120 H82 A2G 120 6.152 46.469 -2.245 940 H83 A2G 120 H83 A2G 120 5.045 45.391 -3.132 941 HO6 A2G 120 HO6 A2G 120 11.529 43.751 -9.167 942 HN2 A2G 120 HN2 A2G 120 5.707 44.677 -5.137 943 H1 A2G 121 H1 A2G 121 7.440 44.838 -11.435 944 H2 A2G 121 H2 A2G 121 7.397 46.997 -12.680 945 H3 A2G 121 H3 A2G 121 6.981 48.180 -9.890 946 H4 A2G 121 H4 A2G 121 4.895 49.031 -10.791 947 H5 A2G 121 H5 A2G 121 4.774 46.902 -9.849 948 H61 A2G 121 H61 A2G 121 3.113 45.891 -12.001 949 H62 A2G 121 H62 A2G 121 2.827 47.606 -11.673 950 H81 A2G 121 H81 A2G 121 11.941 47.409 -12.517 951 H82 A2G 121 H82 A2G 121 11.850 45.645 -12.274 952 H83 A2G 121 H83 A2G 121 11.502 46.743 -10.915 953 HO3 A2G 121 HO3 A2G 121 8.048 49.785 -10.680 954 HO6 A2G 121 HO6 A2G 121 1.725 46.923 -10.013 955 HN2 A2G 121 HN2 A2G 121 9.366 47.292 -10.512 956 H1 A2G 122 H1 A2G 122 3.497 49.633 -12.482 957 H2 A2G 122 H2 A2G 122 3.071 49.981 -14.913 958 H3 A2G 122 H3 A2G 122 5.491 48.136 -15.228 959 H4 A2G 122 H4 A2G 122 6.503 50.010 -16.393 960 H5 A2G 122 H5 A2G 122 6.843 49.975 -14.086 961 H61 A2G 122 H61 A2G 122 6.325 52.866 -14.771 962 H62 A2G 122 H62 A2G 122 7.828 51.953 -14.963 963 H81 A2G 122 H81 A2G 122 -0.187 46.744 -14.945 964 H82 A2G 122 H82 A2G 122 0.221 46.723 -13.211 965 H83 A2G 122 H83 A2G 122 1.302 45.926 -14.382 966 HO3 A2G 122 HO3 A2G 122 3.843 47.636 -16.727 967 HO6 A2G 122 HO6 A2G 122 6.622 52.102 -12.409 968 HN2 A2G 122 HN2 A2G 122 3.220 47.075 -14.462 969 H2 BGC 123 H2 BGC 123 2.687 44.603 -8.351 970 H3 BGC 123 H3 BGC 123 2.031 41.632 -8.471 971 H4 BGC 123 H4 BGC 123 2.374 43.376 -10.967 972 H5 BGC 123 H5 BGC 123 4.233 41.192 -9.888 973 H6C1 BGC 123 H61 BGC 123 3.960 41.475 -12.514 974 H6C2 BGC 123 H62 BGC 123 4.889 42.965 -12.264 975 H1 BGC 123 H1 BGC 123 4.777 42.434 -7.804 976 HB BGC 123 HO2 BGC 123 2.760 42.412 -6.526 977 HC BGC 123 HO3 BGC 123 0.166 42.601 -9.516 978 HD BGC 123 HO4 BGC 123 2.073 40.548 -10.579 979 H6 BGC 123 HO6 BGC 123 5.704 40.432 -11.211 Start of MODEL 12 1 H1 ASP 1 H ASP 1 3.175 -1.300 0.976 2 HA ASP 1 HA ASP 1 2.783 -0.901 -1.483 3 HB2 ASP 1 HB2 ASP 1 1.137 0.535 0.593 4 HB3 ASP 1 HB3 ASP 1 0.687 0.531 -1.110 5 H VAL 2 H VAL 2 2.857 2.097 0.455 6 HA VAL 2 HA VAL 2 3.785 3.520 -1.951 7 HB VAL 2 HB VAL 2 1.608 4.192 -0.665 8 HG11 VAL 2 HG11 VAL 2 2.789 4.260 1.538 9 HG12 VAL 2 HG12 VAL 2 3.659 5.683 0.964 10 HG13 VAL 2 HG13 VAL 2 1.904 5.731 1.138 11 HG21 VAL 2 HG21 VAL 2 3.393 5.520 -2.329 12 HG22 VAL 2 HG22 VAL 2 1.737 6.001 -1.959 13 HG23 VAL 2 HG23 VAL 2 3.077 6.658 -1.021 14 H ILE 3 H ILE 3 5.222 5.422 -1.483 15 HA ILE 3 HA ILE 3 7.048 4.859 0.758 16 HB ILE 3 HB ILE 3 7.890 5.671 -2.028 17 HG12 ILE 3 HG12 ILE 3 8.207 3.045 -0.558 18 HG13 ILE 3 HG13 ILE 3 7.161 3.335 -1.943 19 HG21 ILE 3 HG21 ILE 3 9.272 6.572 -0.164 20 HG22 ILE 3 HG22 ILE 3 9.601 4.913 0.333 21 HG23 ILE 3 HG23 ILE 3 10.146 5.485 -1.244 22 HD11 ILE 3 HD11 ILE 3 9.470 4.089 -3.018 23 HD12 ILE 3 HD12 ILE 3 10.086 2.954 -1.817 24 HD13 ILE 3 HD13 ILE 3 8.916 2.415 -3.022 25 H ILE 4 H ILE 4 7.182 6.538 2.077 26 HA ILE 4 HA ILE 4 6.112 9.084 1.477 27 HB ILE 4 HB ILE 4 7.978 8.281 3.712 28 HG12 ILE 4 HG12 ILE 4 4.966 8.575 3.672 29 HG13 ILE 4 HG13 ILE 4 5.833 7.043 3.657 30 HG21 ILE 4 HG21 ILE 4 8.127 10.469 4.109 31 HG22 ILE 4 HG22 ILE 4 6.878 10.845 2.923 32 HG23 ILE 4 HG23 ILE 4 6.426 10.403 4.569 33 HD11 ILE 4 HD11 ILE 4 6.648 8.750 5.852 34 HD12 ILE 4 HD12 ILE 4 4.923 8.381 5.876 35 HD13 ILE 4 HD13 ILE 4 6.105 7.073 5.858 36 H LYS 5 H LYS 5 7.041 10.963 0.836 37 HA LYS 5 HA LYS 5 9.946 10.969 0.370 38 HB2 LYS 5 HB2 LYS 5 7.939 12.195 -1.522 39 HB3 LYS 5 HB3 LYS 5 9.668 12.000 -1.773 40 HG2 LYS 5 HG2 LYS 5 8.242 9.496 -1.267 41 HG3 LYS 5 HG3 LYS 5 7.745 10.337 -2.738 42 HD2 LYS 5 HD2 LYS 5 9.654 9.831 -3.786 43 HD3 LYS 5 HD3 LYS 5 10.634 10.293 -2.394 44 HE2 LYS 5 HE2 LYS 5 11.086 8.035 -2.572 45 HE3 LYS 5 HE3 LYS 5 9.781 8.054 -1.386 46 HZ1 LYS 5 HZ1 LYS 5 9.387 7.591 -4.292 47 HZ2 LYS 5 HZ2 LYS 5 8.220 7.454 -3.074 48 HZ3 LYS 5 HZ3 LYS 5 9.507 6.358 -3.140 49 HA PRO 6 HA PRO 6 10.008 14.881 2.363 50 HB2 PRO 6 HB2 PRO 6 12.060 16.096 1.065 51 HB3 PRO 6 HB3 PRO 6 12.299 14.782 2.222 52 HG2 PRO 6 HG2 PRO 6 12.241 14.686 -0.770 53 HG3 PRO 6 HG3 PRO 6 13.348 13.875 0.355 54 HD2 PRO 6 HD2 PRO 6 11.258 12.601 -0.805 55 HD3 PRO 6 HD3 PRO 6 11.842 12.193 0.820 56 H GLN 7 H GLN 7 9.546 14.677 -1.064 57 HA GLN 7 HA GLN 7 8.239 15.930 -2.460 58 HB2 GLN 7 HB2 GLN 7 6.957 16.389 -0.260 59 HB3 GLN 7 HB3 GLN 7 7.788 17.938 -0.269 60 HG2 GLN 7 HG2 GLN 7 6.444 18.772 -1.829 61 HG3 GLN 7 HG3 GLN 7 6.549 17.318 -2.821 62 HE21 GLN 7 HE21 GLN 7 5.239 18.122 0.382 63 HE22 GLN 7 HE22 GLN 7 3.685 17.418 0.110 64 H VAL 8 H VAL 8 11.026 16.873 -0.965 65 HA VAL 8 HA VAL 8 11.628 18.771 -3.065 66 HB VAL 8 HB VAL 8 12.475 20.493 -1.474 67 HG11 VAL 8 HG11 VAL 8 10.399 21.578 -1.208 68 HG12 VAL 8 HG12 VAL 8 10.219 20.555 -2.635 69 HG13 VAL 8 HG13 VAL 8 9.526 20.050 -1.093 70 HG21 VAL 8 HG21 VAL 8 12.757 19.426 0.568 71 HG22 VAL 8 HG22 VAL 8 11.298 20.383 0.828 72 HG23 VAL 8 HG23 VAL 8 11.173 18.655 0.499 73 H SER 9 H SER 9 13.979 19.673 -2.589 74 HA SER 9 HA SER 9 15.604 17.363 -1.747 75 HB2 SER 9 HB2 SER 9 17.142 17.801 -3.466 76 HB3 SER 9 HB3 SER 9 15.579 18.077 -4.234 77 HG SER 9 HG SER 9 17.614 19.787 -3.906 78 H GLY 10 H GLY 10 16.850 17.674 -0.029 79 HA2 GLY 10 HA2 GLY 10 18.362 20.050 0.395 80 HA3 GLY 10 HA3 GLY 10 16.965 20.005 1.461 81 H VAL 11 H VAL 11 17.664 19.480 3.425 82 HA VAL 11 HA VAL 11 19.208 17.009 3.725 83 HB VAL 11 HB VAL 11 19.931 19.604 5.094 84 HG11 VAL 11 HG11 VAL 11 20.531 18.143 6.719 85 HG12 VAL 11 HG12 VAL 11 20.643 16.779 5.604 86 HG13 VAL 11 HG13 VAL 11 21.952 17.958 5.692 87 HG21 VAL 11 HG21 VAL 11 20.667 19.516 2.765 88 HG22 VAL 11 HG22 VAL 11 22.039 19.423 3.870 89 HG23 VAL 11 HG23 VAL 11 21.452 17.966 3.067 90 H ILE 12 H ILE 12 18.751 15.845 5.558 91 HA ILE 12 HA ILE 12 16.252 16.204 6.774 92 HB ILE 12 HB ILE 12 18.563 14.592 7.862 93 HG12 ILE 12 HG12 ILE 12 18.050 14.042 5.502 94 HG13 ILE 12 HG13 ILE 12 17.667 12.717 6.596 95 HG21 ILE 12 HG21 ILE 12 16.884 14.779 9.520 96 HG22 ILE 12 HG22 ILE 12 15.596 14.520 8.345 97 HG23 ILE 12 HG23 ILE 12 16.674 13.193 8.778 98 HD11 ILE 12 HD11 ILE 12 15.360 14.358 6.295 99 HD12 ILE 12 HD12 ILE 12 15.997 13.953 4.702 100 HD13 ILE 12 HD13 ILE 12 15.593 12.670 5.842 101 H VAL 13 H VAL 13 15.624 16.939 8.786 102 HA VAL 13 HA VAL 13 17.652 18.437 10.312 103 HB VAL 13 HB VAL 13 14.779 19.295 10.208 104 HG11 VAL 13 HG11 VAL 13 15.493 20.882 11.585 105 HG12 VAL 13 HG12 VAL 13 17.101 20.156 11.571 106 HG13 VAL 13 HG13 VAL 13 16.686 21.405 10.396 107 HG21 VAL 13 HG21 VAL 13 15.955 21.052 8.534 108 HG22 VAL 13 HG22 VAL 13 16.824 19.579 8.105 109 HG23 VAL 13 HG23 VAL 13 15.065 19.630 7.994 110 H ASN 14 H ASN 14 14.694 16.542 10.385 111 HA ASN 14 HA ASN 14 15.322 15.515 12.980 112 HB2 ASN 14 HB2 ASN 14 14.112 17.855 13.239 113 HB3 ASN 14 HB3 ASN 14 12.671 16.891 12.930 114 HD21 ASN 14 HD21 ASN 14 11.696 16.605 14.802 115 HD22 ASN 14 HD22 ASN 14 12.448 16.081 16.267 116 H LYS 15 H LYS 15 13.339 14.155 13.788 117 HA LYS 15 HA LYS 15 11.776 13.071 11.578 118 HB2 LYS 15 HB2 LYS 15 12.448 10.736 12.211 119 HB3 LYS 15 HB3 LYS 15 13.719 11.683 11.448 120 HG2 LYS 15 HG2 LYS 15 14.399 12.228 13.905 121 HG3 LYS 15 HG3 LYS 15 13.473 10.772 14.275 122 HD2 LYS 15 HD2 LYS 15 15.587 10.787 12.143 123 HD3 LYS 15 HD3 LYS 15 15.993 10.526 13.842 124 HE2 LYS 15 HE2 LYS 15 13.946 8.792 13.558 125 HE3 LYS 15 HE3 LYS 15 14.605 8.767 11.922 126 HZ1 LYS 15 HZ1 LYS 15 15.685 7.668 14.346 127 HZ2 LYS 15 HZ2 LYS 15 16.812 8.588 13.482 128 HZ3 LYS 15 HZ3 LYS 15 16.035 7.283 12.736 129 H LEU 16 H LEU 16 9.844 13.570 12.483 130 HA LEU 16 HA LEU 16 9.331 12.790 15.257 131 HB2 LEU 16 HB2 LEU 16 7.556 14.322 13.366 132 HB3 LEU 16 HB3 LEU 16 7.330 14.123 15.101 133 HG LEU 16 HG LEU 16 9.655 15.339 15.228 134 HD11 LEU 16 HD11 LEU 16 10.458 16.197 13.351 135 HD12 LEU 16 HD12 LEU 16 8.939 17.039 13.045 136 HD13 LEU 16 HD13 LEU 16 9.168 15.393 12.456 137 HD21 LEU 16 HD21 LEU 16 7.061 16.746 14.600 138 HD22 LEU 16 HD22 LEU 16 8.468 17.486 15.365 139 HD23 LEU 16 HD23 LEU 16 7.596 16.191 16.187 140 H PHE 17 H PHE 17 9.630 10.570 13.844 141 HA PHE 17 HA PHE 17 6.880 9.576 13.541 142 HB2 PHE 17 HB2 PHE 17 7.289 8.546 11.527 143 HB3 PHE 17 HB3 PHE 17 8.344 9.945 11.360 144 HD1 PHE 17 HD2 PHE 17 10.799 9.646 12.035 145 HD2 PHE 17 HD1 PHE 17 8.140 6.401 11.315 146 HE1 PHE 17 HE2 PHE 17 12.722 8.153 11.679 147 HE2 PHE 17 HE1 PHE 17 10.058 4.902 10.959 148 HZ PHE 17 HZ PHE 17 12.353 5.778 11.139 149 H LYS 18 H LYS 18 6.841 7.116 13.605 150 HA LYS 18 HA LYS 18 8.885 6.092 15.460 151 HB2 LYS 18 HB2 LYS 18 5.903 6.051 15.717 152 HB3 LYS 18 HB3 LYS 18 6.842 4.727 16.394 153 HG2 LYS 18 HG2 LYS 18 7.855 7.373 17.102 154 HG3 LYS 18 HG3 LYS 18 6.220 7.047 17.682 155 HD2 LYS 18 HD2 LYS 18 6.925 5.511 19.168 156 HD3 LYS 18 HD3 LYS 18 8.116 4.836 18.052 157 HE2 LYS 18 HE2 LYS 18 9.508 6.896 18.495 158 HE3 LYS 18 HE3 LYS 18 8.382 7.276 19.796 159 HZ1 LYS 18 HZ1 LYS 18 10.520 5.384 19.747 160 HZ2 LYS 18 HZ2 LYS 18 9.065 4.666 20.225 161 HZ3 LYS 18 HZ3 LYS 18 9.665 6.005 21.067 162 H ALA 19 H ALA 19 9.018 3.725 15.522 163 HA ALA 19 HA ALA 19 8.737 2.632 12.842 164 HB1 ALA 19 HB1 ALA 19 10.660 2.377 14.816 165 HB2 ALA 19 HB2 ALA 19 9.834 0.819 14.820 166 HB3 ALA 19 HB3 ALA 19 10.550 1.433 13.330 167 H GLY 20 H GLY 20 6.906 1.646 12.301 168 HA2 GLY 20 HA2 GLY 20 5.271 -0.003 12.377 169 HA3 GLY 20 HA3 GLY 20 5.845 -0.456 13.975 170 H ASP 21 H ASP 21 5.111 2.863 13.365 171 HA ASP 21 HA ASP 21 2.812 2.645 15.169 172 HB2 ASP 21 HB2 ASP 21 4.952 4.457 15.018 173 HB3 ASP 21 HB3 ASP 21 3.537 5.359 14.486 174 H LYS 22 H LYS 22 0.932 4.052 14.735 175 HA LYS 22 HA LYS 22 0.070 3.715 12.004 176 HB2 LYS 22 HB2 LYS 22 -2.102 4.464 12.802 177 HB3 LYS 22 HB3 LYS 22 -1.445 3.250 13.892 178 HG2 LYS 22 HG2 LYS 22 -0.552 5.612 14.982 179 HG3 LYS 22 HG3 LYS 22 -2.167 6.019 14.397 180 HD2 LYS 22 HD2 LYS 22 -3.014 3.981 15.582 181 HD3 LYS 22 HD3 LYS 22 -1.408 3.801 16.295 182 HE2 LYS 22 HE2 LYS 22 -2.623 6.472 16.551 183 HE3 LYS 22 HE3 LYS 22 -3.437 5.181 17.435 184 HZ1 LYS 22 HZ1 LYS 22 -0.697 4.895 17.854 185 HZ2 LYS 22 HZ2 LYS 22 -1.879 5.331 18.980 186 HZ3 LYS 22 HZ3 LYS 22 -1.065 6.526 18.103 187 H VAL 23 H VAL 23 -0.364 5.288 10.513 188 HA VAL 23 HA VAL 23 0.710 7.952 11.123 189 HB VAL 23 HB VAL 23 0.043 7.100 8.340 190 HG11 VAL 23 HG11 VAL 23 2.239 8.414 8.006 191 HG12 VAL 23 HG12 VAL 23 0.777 9.305 8.431 192 HG13 VAL 23 HG13 VAL 23 1.988 8.953 9.665 193 HG21 VAL 23 HG21 VAL 23 1.233 5.178 9.139 194 HG22 VAL 23 HG22 VAL 23 2.332 6.127 8.138 195 HG23 VAL 23 HG23 VAL 23 2.462 6.192 9.895 196 H LYS 24 H LYS 24 -0.365 9.795 9.991 197 HA LYS 24 HA LYS 24 -3.264 9.408 9.706 198 HB2 LYS 24 HB2 LYS 24 -3.228 10.308 11.847 199 HB3 LYS 24 HB3 LYS 24 -1.820 11.308 11.514 200 HG2 LYS 24 HG2 LYS 24 -3.661 12.770 11.715 201 HG3 LYS 24 HG3 LYS 24 -3.284 12.674 9.993 202 HD2 LYS 24 HD2 LYS 24 -5.070 10.698 10.130 203 HD3 LYS 24 HD3 LYS 24 -5.642 11.669 11.489 204 HE2 LYS 24 HE2 LYS 24 -5.061 13.361 9.245 205 HE3 LYS 24 HE3 LYS 24 -6.145 12.062 8.752 206 HZ1 LYS 24 HZ1 LYS 24 -7.716 13.411 9.562 207 HZ2 LYS 24 HZ2 LYS 24 -6.634 14.305 10.506 208 HZ3 LYS 24 HZ3 LYS 24 -7.234 12.829 11.076 209 H LYS 25 H LYS 25 -4.308 10.840 8.300 210 HA LYS 25 HA LYS 25 -2.859 11.672 6.061 211 HB2 LYS 25 HB2 LYS 25 -5.559 12.700 6.952 212 HB3 LYS 25 HB3 LYS 25 -4.910 12.740 5.318 213 HG2 LYS 25 HG2 LYS 25 -5.079 10.396 5.088 214 HG3 LYS 25 HG3 LYS 25 -5.372 10.177 6.816 215 HD2 LYS 25 HD2 LYS 25 -7.557 10.873 6.670 216 HD3 LYS 25 HD3 LYS 25 -7.256 11.873 5.248 217 HE2 LYS 25 HE2 LYS 25 -6.707 9.403 4.272 218 HE3 LYS 25 HE3 LYS 25 -7.962 9.025 5.451 219 HZ1 LYS 25 HZ1 LYS 25 -8.987 9.464 3.359 220 HZ2 LYS 25 HZ2 LYS 25 -8.163 10.930 3.186 221 HZ3 LYS 25 HZ3 LYS 25 -9.344 10.759 4.385 222 H GLY 26 H GLY 26 -1.179 13.053 6.458 223 HA2 GLY 26 HA2 GLY 26 -0.501 15.332 6.310 224 HA3 GLY 26 HA3 GLY 26 -1.949 15.789 7.196 225 H GLN 27 H GLN 27 -0.297 13.086 8.457 226 HA GLN 27 HA GLN 27 0.439 14.601 10.810 227 HB2 GLN 27 HB2 GLN 27 -0.477 12.055 10.444 228 HB3 GLN 27 HB3 GLN 27 1.245 11.776 10.665 229 HG2 GLN 27 HG2 GLN 27 0.738 13.498 12.691 230 HG3 GLN 27 HG3 GLN 27 -0.793 12.631 12.588 231 HE21 GLN 27 HE21 GLN 27 -0.058 10.130 11.927 232 HE22 GLN 27 HE22 GLN 27 0.930 9.437 13.163 233 H THR 28 H THR 28 2.399 15.362 11.253 234 HA THR 28 HA THR 28 4.505 15.304 9.411 235 HB THR 28 HB THR 28 5.114 15.754 12.298 236 HG1 THR 28 HG1 THR 28 4.077 17.784 12.190 237 HG21 THR 28 HG21 THR 28 5.854 17.906 10.621 238 HG22 THR 28 HG22 THR 28 6.243 16.419 9.755 239 HG23 THR 28 HG23 THR 28 6.902 16.700 11.366 240 H LEU 29 H LEU 29 6.419 14.168 9.306 241 HA LEU 29 HA LEU 29 6.792 11.951 11.190 242 HB2 LEU 29 HB2 LEU 29 7.119 11.627 8.218 243 HB3 LEU 29 HB3 LEU 29 7.186 10.374 9.455 244 HG LEU 29 HG LEU 29 4.664 11.917 8.946 245 HD11 LEU 29 HD11 LEU 29 4.446 9.434 7.682 246 HD12 LEU 29 HD12 LEU 29 5.970 10.121 7.122 247 HD13 LEU 29 HD13 LEU 29 4.470 11.027 6.925 248 HD21 LEU 29 HD21 LEU 29 3.604 10.104 10.011 249 HD22 LEU 29 HD22 LEU 29 5.029 10.454 10.989 250 HD23 LEU 29 HD23 LEU 29 5.035 9.083 9.879 251 H PHE 30 H PHE 30 8.147 14.041 8.702 252 HA PHE 30 HA PHE 30 10.728 13.910 10.057 253 HB2 PHE 30 HB2 PHE 30 10.441 13.486 7.075 254 HB3 PHE 30 HB3 PHE 30 11.955 13.577 7.969 255 HD1 PHE 30 HD1 PHE 30 8.922 11.562 7.410 256 HD2 PHE 30 HD2 PHE 30 12.813 11.700 9.128 257 HE1 PHE 30 HE1 PHE 30 8.844 9.130 7.774 258 HE2 PHE 30 HE2 PHE 30 12.742 9.269 9.494 259 HZ PHE 30 HZ PHE 30 10.756 7.980 8.817 260 H ILE 31 H ILE 31 12.283 15.532 8.869 261 HA ILE 31 HA ILE 31 10.869 17.847 7.812 262 HB ILE 31 HB ILE 31 12.615 18.084 10.263 263 HG12 ILE 31 HG12 ILE 31 9.616 18.341 9.956 264 HG13 ILE 31 HG13 ILE 31 10.467 17.074 10.833 265 HG21 ILE 31 HG21 ILE 31 12.027 19.950 8.285 266 HG22 ILE 31 HG22 ILE 31 10.953 20.353 9.624 267 HG23 ILE 31 HG23 ILE 31 12.695 20.274 9.886 268 HD11 ILE 31 HD11 ILE 31 11.240 18.661 12.463 269 HD12 ILE 31 HD12 ILE 31 10.537 19.994 11.547 270 HD13 ILE 31 HD13 ILE 31 9.489 18.791 12.297 271 H ILE 32 H ILE 32 12.024 18.847 6.286 272 HA ILE 32 HA ILE 32 14.944 18.587 6.295 273 HB ILE 32 HB ILE 32 13.115 17.799 4.043 274 HG12 ILE 32 HG12 ILE 32 15.563 16.278 4.585 275 HG13 ILE 32 HG13 ILE 32 14.453 16.334 5.950 276 HG21 ILE 32 HG21 ILE 32 15.402 17.610 2.785 277 HG22 ILE 32 HG22 ILE 32 14.526 19.140 2.823 278 HG23 ILE 32 HG23 ILE 32 15.890 18.878 3.910 279 HD11 ILE 32 HD11 ILE 32 12.787 15.761 3.859 280 HD12 ILE 32 HD12 ILE 32 14.259 14.885 3.437 281 HD13 ILE 32 HD13 ILE 32 13.470 14.589 4.987 282 H GLU 33 H GLU 33 16.033 20.338 5.519 283 HA GLU 33 HA GLU 33 14.388 22.667 4.819 284 HB2 GLU 33 HB2 GLU 33 16.096 24.043 5.656 285 HB3 GLU 33 HB3 GLU 33 16.025 22.699 6.787 286 HG2 GLU 33 HG2 GLU 33 18.276 22.870 6.494 287 HG3 GLU 33 HG3 GLU 33 17.885 21.702 5.233 288 H GLN 34 H GLN 34 14.528 23.631 2.882 289 HA GLN 34 HA GLN 34 16.750 22.922 1.102 290 HB2 GLN 34 HB2 GLN 34 15.309 22.456 -0.737 291 HB3 GLN 34 HB3 GLN 34 14.732 21.498 0.621 292 HG2 GLN 34 HG2 GLN 34 13.552 24.116 -0.282 293 HG3 GLN 34 HG3 GLN 34 12.910 22.519 -0.663 294 HE21 GLN 34 HE21 GLN 34 13.168 21.219 1.715 295 HE22 GLN 34 HE22 GLN 34 12.162 21.961 2.906 296 H ASP 35 H ASP 35 16.267 24.303 -1.084 297 HA ASP 35 HA ASP 35 15.284 26.958 -0.500 298 HB2 ASP 35 HB2 ASP 35 18.220 26.477 -1.052 299 HB3 ASP 35 HB3 ASP 35 17.443 28.059 -1.080 300 H GLN 36 H GLN 36 17.036 24.844 -2.729 301 HA GLN 36 HA GLN 36 16.715 24.454 -4.958 302 HB2 GLN 36 HB2 GLN 36 14.255 25.266 -4.206 303 HB3 GLN 36 HB3 GLN 36 14.668 26.562 -5.321 304 HG2 GLN 36 HG2 GLN 36 13.797 25.186 -6.854 305 HG3 GLN 36 HG3 GLN 36 15.383 24.417 -6.787 306 HE21 GLN 36 HE21 GLN 36 15.210 23.115 -4.366 307 HE22 GLN 36 HE22 GLN 36 14.013 21.874 -4.468 308 H ALA 37 H ALA 37 16.164 27.924 -4.329 309 HA ALA 37 HA ALA 37 17.249 29.007 -6.588 310 HB1 ALA 37 HB1 ALA 37 16.702 29.921 -3.911 311 HB2 ALA 37 HB2 ALA 37 18.153 30.688 -4.556 312 HB3 ALA 37 HB3 ALA 37 16.630 30.803 -5.437 313 H SER 38 H SER 38 19.172 29.043 -3.600 314 HA SER 38 HA SER 38 21.481 28.041 -5.104 315 HB2 SER 38 HB2 SER 38 21.168 30.734 -4.527 316 HB3 SER 38 HB3 SER 38 22.211 30.157 -3.227 317 HG SER 38 HG SER 38 23.763 30.166 -4.625 318 H LYS 39 H LYS 39 23.308 27.450 -3.648 319 HA LYS 39 HA LYS 39 22.256 26.055 -1.324 320 HB2 LYS 39 HB2 LYS 39 24.728 25.864 -2.983 321 HB3 LYS 39 HB3 LYS 39 24.789 25.270 -1.329 322 HG2 LYS 39 HG2 LYS 39 24.271 23.523 -3.000 323 HG3 LYS 39 HG3 LYS 39 23.029 23.705 -1.760 324 HD2 LYS 39 HD2 LYS 39 22.001 23.456 -3.943 325 HD3 LYS 39 HD3 LYS 39 21.706 25.079 -3.316 326 HE2 LYS 39 HE2 LYS 39 22.624 25.957 -5.136 327 HE3 LYS 39 HE3 LYS 39 24.138 25.124 -4.784 328 HZ1 LYS 39 HZ1 LYS 39 23.221 23.162 -5.937 329 HZ2 LYS 39 HZ2 LYS 39 23.388 24.503 -6.954 330 HZ3 LYS 39 HZ3 LYS 39 21.861 24.069 -6.370 331 H ASP 40 H ASP 40 23.333 29.066 -1.802 332 HA ASP 40 HA ASP 40 24.469 29.232 0.907 333 HB2 ASP 40 HB2 ASP 40 26.115 29.522 -1.103 334 HB3 ASP 40 HB3 ASP 40 25.371 31.112 -1.249 335 H PHE 41 H PHE 41 21.786 29.755 -0.499 336 HA PHE 41 HA PHE 41 21.451 32.593 0.131 337 HB2 PHE 41 HB2 PHE 41 20.009 30.633 -1.563 338 HB3 PHE 41 HB3 PHE 41 19.022 31.860 -0.776 339 HD1 PHE 41 HD1 PHE 41 22.460 32.104 -2.171 340 HD2 PHE 41 HD2 PHE 41 18.390 33.316 -2.459 341 HE1 PHE 41 HE1 PHE 41 23.068 33.713 -3.930 342 HE2 PHE 41 HE2 PHE 41 18.992 34.927 -4.219 343 HZ PHE 41 HZ PHE 41 21.333 35.127 -4.957 344 H ASN 42 H ASN 42 18.960 30.133 0.408 345 HA ASN 42 HA ASN 42 17.354 30.000 2.085 346 HB2 ASN 42 HB2 ASN 42 18.086 28.338 3.434 347 HB3 ASN 42 HB3 ASN 42 19.559 28.444 2.473 348 HD21 ASN 42 HD21 ASN 42 21.162 30.086 3.284 349 H ARG 43 H ARG 43 17.852 32.641 1.908 350 HA ARG 43 HA ARG 43 17.484 34.560 3.087 351 HB2 ARG 43 HB2 ARG 43 16.619 32.532 4.843 352 HB3 ARG 43 HB3 ARG 43 17.624 33.610 5.801 353 HG2 ARG 43 HG2 ARG 43 15.287 34.266 5.898 354 HG3 ARG 43 HG3 ARG 43 16.262 35.510 5.113 355 HD2 ARG 43 HD2 ARG 43 15.216 33.567 3.225 356 HD3 ARG 43 HD3 ARG 43 13.938 34.373 4.133 357 HE ARG 43 HE ARG 43 15.665 35.544 2.151 358 HH11 ARG 43 HH11 ARG 43 13.617 36.155 4.900 359 HH12 ARG 43 HH12 ARG 43 13.311 37.805 4.468 360 HH21 ARG 43 HH21 ARG 43 15.269 37.714 1.574 361 HH22 ARG 43 HH22 ARG 43 14.250 38.691 2.576 362 H SER 44 H SER 44 19.486 32.597 5.293 363 HA SER 44 HA SER 44 21.422 33.131 6.398 364 HB2 SER 44 HB2 SER 44 23.304 33.542 4.911 365 HB3 SER 44 HB3 SER 44 22.212 32.375 4.166 366 HG SER 44 HG SER 44 22.292 33.713 2.542 367 H LYS 45 H LYS 45 20.479 34.826 7.667 368 HA LYS 45 HA LYS 45 20.628 37.554 6.783 369 HB2 LYS 45 HB2 LYS 45 20.320 36.703 9.650 370 HB3 LYS 45 HB3 LYS 45 19.672 38.130 8.850 371 HG2 LYS 45 HG2 LYS 45 17.756 37.000 8.773 372 HG3 LYS 45 HG3 LYS 45 18.496 36.096 7.450 373 HD2 LYS 45 HD2 LYS 45 19.483 34.707 9.504 374 HD3 LYS 45 HD3 LYS 45 18.002 35.298 10.262 375 HE2 LYS 45 HE2 LYS 45 18.254 33.664 7.743 376 HE3 LYS 45 HE3 LYS 45 17.533 33.171 9.274 377 HZ1 LYS 45 HZ1 LYS 45 16.496 35.238 7.413 378 HZ2 LYS 45 HZ2 LYS 45 15.839 34.911 8.937 379 HZ3 LYS 45 HZ3 LYS 45 15.808 33.726 7.730 380 H ALA 46 H ALA 46 22.399 35.590 9.162 381 HA ALA 46 HA ALA 46 24.737 37.290 8.755 382 HB1 ALA 46 HB1 ALA 46 24.003 38.414 10.625 383 HB2 ALA 46 HB2 ALA 46 23.282 36.973 11.341 384 HB3 ALA 46 HB3 ALA 46 25.034 37.177 11.346 385 H LEU 47 H LEU 47 26.636 36.335 10.115 386 HA LEU 47 HA LEU 47 26.499 33.395 9.964 387 HB2 LEU 47 HB2 LEU 47 28.844 35.157 9.268 388 HB3 LEU 47 HB3 LEU 47 28.833 33.395 9.238 389 HG LEU 47 HG LEU 47 27.312 35.253 7.415 390 HD11 LEU 47 HD11 LEU 47 29.705 33.479 7.103 391 HD12 LEU 47 HD12 LEU 47 29.500 35.167 6.636 392 HD13 LEU 47 HD13 LEU 47 28.693 33.894 5.720 393 HD21 LEU 47 HD21 LEU 47 25.833 33.483 7.673 394 HD22 LEU 47 HD22 LEU 47 27.125 32.296 7.856 395 HD23 LEU 47 HD23 LEU 47 26.788 32.997 6.272 396 H PHE 48 H PHE 48 26.101 35.183 12.257 397 HA PHE 48 HA PHE 48 26.743 35.436 14.429 398 HB2 PHE 48 HB2 PHE 48 28.174 32.804 14.092 399 HB3 PHE 48 HB3 PHE 48 27.419 33.451 15.545 400 HD1 PHE 48 HD2 PHE 48 24.879 33.750 15.516 401 HD2 PHE 48 HD1 PHE 48 26.999 31.382 12.685 402 HE1 PHE 48 HE2 PHE 48 22.803 32.547 14.973 403 HE2 PHE 48 HE1 PHE 48 24.926 30.176 12.137 404 HZ PHE 48 HZ PHE 48 22.825 30.757 13.282 405 H SER 49 H SER 49 28.195 37.163 13.467 406 HA SER 49 HA SER 49 31.039 36.517 13.644 407 HB2 SER 49 HB2 SER 49 29.643 38.154 11.930 408 HB3 SER 49 HB3 SER 49 30.322 39.306 13.081 409 HG SER 49 HG SER 49 31.650 37.511 11.366 410 H GLN 50 H GLN 50 32.281 38.632 14.551 411 HA GLN 50 HA GLN 50 32.100 38.531 17.301 412 HB2 GLN 50 HB2 GLN 50 33.865 39.619 15.618 413 HB3 GLN 50 HB3 GLN 50 33.024 41.087 16.096 414 HG2 GLN 50 HG2 GLN 50 33.859 41.051 18.187 415 HG3 GLN 50 HG3 GLN 50 33.831 39.291 18.286 416 HE21 GLN 50 HE21 GLN 50 35.898 39.181 19.130 417 HE22 GLN 50 HE22 GLN 50 37.307 39.498 18.182 418 H SER 51 H SER 51 30.353 40.546 15.050 419 HA SER 51 HA SER 51 28.384 41.210 16.993 420 HB2 SER 51 HB2 SER 51 30.465 43.253 16.295 421 HB3 SER 51 HB3 SER 51 28.813 43.773 16.624 422 HG SER 51 HG SER 51 29.460 43.697 18.626 423 H ALA 52 H ALA 52 27.803 39.966 14.827 424 HA ALA 52 HA ALA 52 27.424 41.479 12.469 425 HB1 ALA 52 HB1 ALA 52 27.323 39.262 11.982 426 HB2 ALA 52 HB2 ALA 52 26.491 38.854 13.483 427 HB3 ALA 52 HB3 ALA 52 25.596 39.578 12.147 428 H ILE 53 H ILE 53 25.036 40.398 14.894 429 HA ILE 53 HA ILE 53 23.463 42.809 14.280 430 HB ILE 53 HB ILE 53 21.423 41.338 14.834 431 HG12 ILE 53 HG12 ILE 53 22.917 39.058 13.676 432 HG13 ILE 53 HG13 ILE 53 23.265 39.430 15.360 433 HG21 ILE 53 HG21 ILE 53 22.182 42.296 12.582 434 HG22 ILE 53 HG22 ILE 53 22.748 40.663 12.229 435 HG23 ILE 53 HG23 ILE 53 21.040 40.952 12.561 436 HD11 ILE 53 HD11 ILE 53 21.425 37.725 14.817 437 HD12 ILE 53 HD12 ILE 53 21.100 38.958 16.037 438 HD13 ILE 53 HD13 ILE 53 20.447 39.135 14.409 439 H SER 54 H SER 54 21.942 43.413 16.010 440 HA SER 54 HA SER 54 23.162 42.926 18.629 441 HB2 SER 54 HB2 SER 54 22.464 45.274 17.440 442 HB3 SER 54 HB3 SER 54 21.027 44.954 18.411 443 HG SER 54 HG SER 54 23.686 45.358 19.241 444 H GLN 55 H GLN 55 22.275 41.095 19.438 445 HA GLN 55 HA GLN 55 19.710 40.130 19.077 446 HB2 GLN 55 HB2 GLN 55 21.442 39.834 21.538 447 HB3 GLN 55 HB3 GLN 55 20.072 38.813 21.121 448 HG2 GLN 55 HG2 GLN 55 21.200 37.905 19.251 449 HG3 GLN 55 HG3 GLN 55 22.483 39.109 19.357 450 HE21 GLN 55 HE21 GLN 55 23.882 39.024 21.232 451 HE22 GLN 55 HE22 GLN 55 24.208 37.501 21.977 452 H LYS 56 H LYS 56 20.845 42.647 21.196 453 HA LYS 56 HA LYS 56 18.802 42.780 23.063 454 HB2 LYS 56 HB2 LYS 56 20.155 45.170 21.808 455 HB3 LYS 56 HB3 LYS 56 19.426 45.080 23.406 456 HG2 LYS 56 HG2 LYS 56 21.243 43.097 23.593 457 HG3 LYS 56 HG3 LYS 56 22.067 44.185 22.474 458 HD2 LYS 56 HD2 LYS 56 20.926 45.739 24.570 459 HD3 LYS 56 HD3 LYS 56 21.824 44.402 25.292 460 HE2 LYS 56 HE2 LYS 56 23.814 45.210 24.618 461 HE3 LYS 56 HE3 LYS 56 23.182 45.752 23.064 462 HZ1 LYS 56 HZ1 LYS 56 23.868 47.365 25.125 463 HZ2 LYS 56 HZ2 LYS 56 22.188 47.266 25.295 464 HZ3 LYS 56 HZ3 LYS 56 22.860 47.802 23.838 465 H GLU 57 H GLU 57 18.814 43.699 19.707 466 HA GLU 57 HA GLU 57 15.994 44.507 19.970 467 HB2 GLU 57 HB2 GLU 57 18.012 45.695 18.057 468 HB3 GLU 57 HB3 GLU 57 16.317 46.144 18.187 469 HG2 GLU 57 HG2 GLU 57 17.180 46.505 20.743 470 HG3 GLU 57 HG3 GLU 57 18.609 46.948 19.810 471 H TYR 58 H TYR 58 17.502 41.975 19.191 472 HA TYR 58 HA TYR 58 15.927 41.453 16.779 473 HB2 TYR 58 HB2 TYR 58 18.846 41.472 16.957 474 HB3 TYR 58 HB3 TYR 58 18.205 39.953 16.339 475 HD1 TYR 58 HD1 TYR 58 16.689 40.012 14.320 476 HD2 TYR 58 HD2 TYR 58 18.926 43.397 15.599 477 HE1 TYR 58 HE1 TYR 58 16.408 41.030 12.098 478 HE2 TYR 58 HE2 TYR 58 18.650 44.425 13.381 479 HH TYR 58 HH TYR 58 16.424 43.502 11.192 480 H ASP 59 H ASP 59 15.363 39.259 16.471 481 HA ASP 59 HA ASP 59 15.982 37.436 18.685 482 HB2 ASP 59 HB2 ASP 59 13.508 38.737 18.381 483 HB3 ASP 59 HB3 ASP 59 13.248 37.085 17.828 484 H SER 60 H SER 60 14.824 35.204 18.093 485 HA SER 60 HA SER 60 15.874 34.519 15.454 486 HB2 SER 60 HB2 SER 60 15.853 33.221 17.985 487 HB3 SER 60 HB3 SER 60 14.920 32.222 16.869 488 HG SER 60 HG SER 60 17.398 33.267 16.060 489 H SER 61 H SER 61 12.889 34.763 17.196 490 HA SER 61 HA SER 61 11.211 33.090 15.783 491 HB2 SER 61 HB2 SER 61 9.515 34.158 16.863 492 HB3 SER 61 HB3 SER 61 10.839 34.903 17.759 493 HG SER 61 HG SER 61 9.213 36.360 16.818 494 H LEU 62 H LEU 62 12.509 36.210 14.862 495 HA LEU 62 HA LEU 62 10.876 36.324 12.460 496 HB2 LEU 62 HB2 LEU 62 11.778 38.478 12.108 497 HB3 LEU 62 HB3 LEU 62 11.446 38.344 13.834 498 HG LEU 62 HG LEU 62 14.131 37.568 13.470 499 HD11 LEU 62 HD11 LEU 62 13.921 40.301 12.360 500 HD12 LEU 62 HD12 LEU 62 13.588 38.962 11.262 501 HD13 LEU 62 HD13 LEU 62 15.141 39.055 12.093 502 HD21 LEU 62 HD21 LEU 62 12.607 39.755 14.764 503 HD22 LEU 62 HD22 LEU 62 14.345 39.986 14.562 504 HD23 LEU 62 HD23 LEU 62 13.737 38.592 15.458 505 H ALA 63 H ALA 63 14.026 35.313 13.443 506 HA ALA 63 HA ALA 63 14.983 35.201 10.680 507 HB1 ALA 63 HB1 ALA 63 16.324 34.913 13.345 508 HB2 ALA 63 HB2 ALA 63 17.112 34.373 11.862 509 HB3 ALA 63 HB3 ALA 63 16.655 36.066 12.051 510 H THR 64 H THR 64 14.280 33.466 9.604 511 HA THR 64 HA THR 64 14.535 30.839 10.912 512 HB THR 64 HB THR 64 12.601 30.105 9.433 513 HG1 THR 64 HG1 THR 64 12.204 32.927 9.285 514 HG21 THR 64 HG21 THR 64 11.380 30.251 11.295 515 HG22 THR 64 HG22 THR 64 11.268 32.005 11.150 516 HG23 THR 64 HG23 THR 64 12.646 31.275 11.973 517 H LEU 65 H LEU 65 14.204 29.103 8.986 518 HA LEU 65 HA LEU 65 15.973 29.923 6.780 519 HB2 LEU 65 HB2 LEU 65 16.145 27.115 7.612 520 HB3 LEU 65 HB3 LEU 65 17.415 28.232 7.118 521 HG LEU 65 HG LEU 65 17.006 29.262 9.498 522 HD11 LEU 65 HD11 LEU 65 15.094 27.390 9.661 523 HD12 LEU 65 HD12 LEU 65 15.969 28.008 11.061 524 HD13 LEU 65 HD13 LEU 65 16.454 26.483 10.321 525 HD21 LEU 65 HD21 LEU 65 18.969 27.841 8.432 526 HD22 LEU 65 HD22 LEU 65 18.402 26.641 9.595 527 HD23 LEU 65 HD23 LEU 65 18.930 28.230 10.152 528 H ASP 66 H ASP 66 12.977 28.925 7.560 529 HA ASP 66 HA ASP 66 11.234 28.013 6.418 530 HB2 ASP 66 HB2 ASP 66 13.090 28.568 4.098 531 HB3 ASP 66 HB3 ASP 66 11.433 28.006 3.903 532 H HIS 67 H HIS 67 11.070 25.958 7.140 533 HA HIS 67 HA HIS 67 12.637 23.899 5.730 534 HB2 HIS 67 HB2 HIS 67 11.488 23.867 8.527 535 HB3 HIS 67 HB3 HIS 67 12.235 22.475 7.747 536 HD1 HIS 67 HD1 HIS 67 13.618 23.120 10.197 537 HD2 HIS 67 HD2 HIS 67 14.457 25.206 6.704 538 HE1 HIS 67 HE1 HIS 67 15.903 24.114 10.541 539 H THR 68 H THR 68 11.592 22.008 5.058 540 HA THR 68 HA THR 68 8.704 22.329 4.673 541 HB THR 68 HB THR 68 10.703 20.556 3.261 542 HG1 THR 68 HG1 THR 68 9.238 22.878 2.505 543 HG21 THR 68 HG21 THR 68 8.750 19.281 3.195 544 HG22 THR 68 HG22 THR 68 8.672 20.215 1.701 545 HG23 THR 68 HG23 THR 68 7.712 20.702 3.096 546 H GLU 69 H GLU 69 7.498 21.366 6.173 547 HA GLU 69 HA GLU 69 8.406 19.197 7.774 548 HB2 GLU 69 HB2 GLU 69 5.530 20.024 7.420 549 HB3 GLU 69 HB3 GLU 69 6.276 19.267 8.821 550 HG2 GLU 69 HG2 GLU 69 7.602 21.322 9.176 551 HG3 GLU 69 HG3 GLU 69 6.736 22.073 7.837 552 H ILE 70 H ILE 70 8.641 17.186 7.075 553 HA ILE 70 HA ILE 70 7.301 16.204 4.740 554 HB ILE 70 HB ILE 70 9.130 14.881 6.735 555 HG12 ILE 70 HG12 ILE 70 10.430 14.717 4.424 556 HG13 ILE 70 HG13 ILE 70 9.408 16.093 4.022 557 HG21 ILE 70 HG21 ILE 70 9.148 13.110 4.767 558 HG22 ILE 70 HG22 ILE 70 7.992 13.014 6.094 559 HG23 ILE 70 HG23 ILE 70 7.502 13.706 4.548 560 HD11 ILE 70 HD11 ILE 70 11.369 15.896 6.291 561 HD12 ILE 70 HD12 ILE 70 11.502 16.893 4.843 562 HD13 ILE 70 HD13 ILE 70 10.259 17.243 6.043 563 H LYS 71 H LYS 71 5.107 16.146 5.128 564 HA LYS 71 HA LYS 71 4.142 14.556 7.389 565 HB2 LYS 71 HB2 LYS 71 2.993 16.665 5.655 566 HB3 LYS 71 HB3 LYS 71 1.881 15.414 6.194 567 HG2 LYS 71 HG2 LYS 71 2.175 15.960 8.448 568 HG3 LYS 71 HG3 LYS 71 3.646 16.879 8.123 569 HD2 LYS 71 HD2 LYS 71 0.970 17.692 7.018 570 HD3 LYS 71 HD3 LYS 71 1.528 18.213 8.609 571 HE2 LYS 71 HE2 LYS 71 3.571 19.130 7.506 572 HE3 LYS 71 HE3 LYS 71 2.842 18.746 5.948 573 HZ1 LYS 71 HZ1 LYS 71 2.297 20.959 6.290 574 HZ2 LYS 71 HZ2 LYS 71 1.985 20.749 7.939 575 HZ3 LYS 71 HZ3 LYS 71 0.897 20.153 6.789 576 H ALA 72 H ALA 72 2.504 12.923 7.052 577 HA ALA 72 HA ALA 72 3.143 11.219 4.830 578 HB1 ALA 72 HB1 ALA 72 1.680 10.980 7.357 579 HB2 ALA 72 HB2 ALA 72 1.015 10.020 6.035 580 HB3 ALA 72 HB3 ALA 72 2.699 9.811 6.518 581 HA PRO 73 HA PRO 73 -0.012 12.447 2.024 582 HB2 PRO 73 HB2 PRO 73 -0.343 10.123 0.659 583 HB3 PRO 73 HB3 PRO 73 1.075 11.160 0.462 584 HG2 PRO 73 HG2 PRO 73 0.758 8.674 2.098 585 HG3 PRO 73 HG3 PRO 73 2.110 9.166 1.061 586 HD2 PRO 73 HD2 PRO 73 2.166 9.438 3.755 587 HD3 PRO 73 HD3 PRO 73 2.993 10.569 2.663 588 H PHE 74 H PHE 74 -0.466 9.618 4.044 589 HA PHE 74 HA PHE 74 -3.141 10.282 4.659 590 HB2 PHE 74 HB2 PHE 74 -3.937 7.941 3.637 591 HB3 PHE 74 HB3 PHE 74 -4.038 9.448 2.731 592 HD1 PHE 74 HD2 PHE 74 -1.407 6.892 3.441 593 HD2 PHE 74 HD1 PHE 74 -3.421 9.268 0.539 594 HE1 PHE 74 HE2 PHE 74 -0.003 5.917 1.671 595 HE2 PHE 74 HE1 PHE 74 -2.021 8.296 -1.234 596 HZ PHE 74 HZ PHE 74 -0.308 6.619 -0.670 597 H ASP 75 H ASP 75 -4.080 8.857 6.220 598 HA ASP 75 HA ASP 75 -2.308 7.839 8.094 599 HB2 ASP 75 HB2 ASP 75 -4.237 6.857 9.194 600 HB3 ASP 75 HB3 ASP 75 -4.667 8.445 8.562 601 H GLY 76 H GLY 76 -1.839 5.683 8.772 602 HA2 GLY 76 HA2 GLY 76 -2.553 3.313 7.606 603 HA3 GLY 76 HA3 GLY 76 -1.275 3.933 6.569 604 H THR 77 H THR 77 0.260 2.413 7.036 605 HA THR 77 HA THR 77 1.239 2.389 9.817 606 HB THR 77 HB THR 77 1.423 0.088 7.864 607 HG1 THR 77 HG1 THR 77 -0.095 -0.813 9.549 608 HG21 THR 77 HG21 THR 77 2.013 -1.161 9.981 609 HG22 THR 77 HG22 THR 77 2.189 0.411 10.761 610 HG23 THR 77 HG23 THR 77 3.230 -0.021 9.406 611 H ILE 78 H ILE 78 3.128 3.389 9.965 612 HA ILE 78 HA ILE 78 4.856 3.593 7.623 613 HB ILE 78 HB ILE 78 4.319 5.607 9.025 614 HG12 ILE 78 HG12 ILE 78 7.277 5.045 9.056 615 HG13 ILE 78 HG13 ILE 78 6.401 5.252 7.543 616 HG21 ILE 78 HG21 ILE 78 5.504 5.894 11.139 617 HG22 ILE 78 HG22 ILE 78 4.399 4.523 11.210 618 HG23 ILE 78 HG23 ILE 78 6.131 4.251 11.018 619 HD11 ILE 78 HD11 ILE 78 7.069 7.238 9.639 620 HD12 ILE 78 HD12 ILE 78 7.129 7.377 7.882 621 HD13 ILE 78 HD13 ILE 78 5.580 7.457 8.721 622 H GLY 79 H GLY 79 6.909 2.774 7.493 623 HA2 GLY 79 HA2 GLY 79 7.556 0.698 9.452 624 HA3 GLY 79 HA3 GLY 79 8.257 0.864 7.850 625 H ASP 80 H ASP 80 10.266 0.472 9.091 626 HA ASP 80 HA ASP 80 11.211 2.610 10.787 627 HB2 ASP 80 HB2 ASP 80 11.903 0.357 11.321 628 HB3 ASP 80 HB3 ASP 80 12.571 0.135 9.707 629 H ALA 81 H ALA 81 12.798 4.102 10.314 630 HA ALA 81 HA ALA 81 12.940 5.017 7.640 631 HB1 ALA 81 HB1 ALA 81 14.258 5.804 10.201 632 HB2 ALA 81 HB2 ALA 81 14.831 6.481 8.676 633 HB3 ALA 81 HB3 ALA 81 13.157 6.723 9.174 634 H LEU 82 H LEU 82 15.181 5.574 6.671 635 HA LEU 82 HA LEU 82 17.015 3.297 6.963 636 HB2 LEU 82 HB2 LEU 82 17.088 2.843 4.709 637 HB3 LEU 82 HB3 LEU 82 15.383 3.214 4.955 638 HG LEU 82 HG LEU 82 17.486 4.868 3.594 639 HD11 LEU 82 HD11 LEU 82 16.438 3.456 2.066 640 HD12 LEU 82 HD12 LEU 82 15.551 4.973 1.911 641 HD13 LEU 82 HD13 LEU 82 14.861 3.637 2.834 642 HD21 LEU 82 HD21 LEU 82 15.519 6.548 3.409 643 HD22 LEU 82 HD22 LEU 82 16.513 6.537 4.867 644 HD23 LEU 82 HD23 LEU 82 14.931 5.755 4.871 645 H VAL 83 H VAL 83 16.613 6.556 7.076 646 HA VAL 83 HA VAL 83 19.463 7.028 6.495 647 HB VAL 83 HB VAL 83 18.809 9.381 5.870 648 HG11 VAL 83 HG11 VAL 83 18.878 7.046 4.350 649 HG12 VAL 83 HG12 VAL 83 17.454 7.920 3.783 650 HG13 VAL 83 HG13 VAL 83 19.035 8.702 3.764 651 HG21 VAL 83 HG21 VAL 83 16.199 8.897 4.935 652 HG22 VAL 83 HG22 VAL 83 16.231 8.392 6.625 653 HG23 VAL 83 HG23 VAL 83 16.708 10.032 6.185 654 H ASN 84 H ASN 84 20.004 9.362 7.466 655 HA ASN 84 HA ASN 84 18.879 9.486 10.183 656 HB2 ASN 84 HB2 ASN 84 21.799 9.687 9.414 657 HB3 ASN 84 HB3 ASN 84 21.163 10.013 11.023 658 HD21 ASN 84 HD21 ASN 84 21.972 7.598 8.697 659 HD22 ASN 84 HD22 ASN 84 21.756 6.228 9.729 660 H ILE 85 H ILE 85 19.984 11.622 11.239 661 HA ILE 85 HA ILE 85 18.891 13.787 9.689 662 HB ILE 85 HB ILE 85 20.392 14.054 12.287 663 HG12 ILE 85 HG12 ILE 85 18.652 12.303 12.503 664 HG13 ILE 85 HG13 ILE 85 18.284 13.734 13.461 665 HG21 ILE 85 HG21 ILE 85 19.997 16.192 11.597 666 HG22 ILE 85 HG22 ILE 85 18.557 15.749 10.682 667 HG23 ILE 85 HG23 ILE 85 18.479 15.875 12.439 668 HD11 ILE 85 HD11 ILE 85 16.747 14.478 11.680 669 HD12 ILE 85 HD12 ILE 85 17.064 12.970 10.821 670 HD13 ILE 85 HD13 ILE 85 16.286 12.937 12.404 671 H GLY 86 H GLY 86 20.052 15.787 9.256 672 HA2 GLY 86 HA2 GLY 86 21.820 16.988 8.413 673 HA3 GLY 86 HA3 GLY 86 22.869 15.983 9.402 674 H ASP 87 H ASP 87 20.859 14.261 7.254 675 HA ASP 87 HA ASP 87 23.171 13.774 5.504 676 HB2 ASP 87 HB2 ASP 87 21.195 12.046 6.722 677 HB3 ASP 87 HB3 ASP 87 21.211 11.840 4.973 678 H TYR 88 H TYR 88 23.091 14.260 3.397 679 HA TYR 88 HA TYR 88 21.112 15.938 2.357 680 HB2 TYR 88 HB2 TYR 88 23.369 15.902 1.449 681 HB3 TYR 88 HB3 TYR 88 23.151 14.243 0.903 682 HD1 TYR 88 HD2 TYR 88 21.943 17.715 0.398 683 HD2 TYR 88 HD1 TYR 88 22.203 13.781 -1.201 684 HE1 TYR 88 HE2 TYR 88 21.097 18.542 -1.757 685 HE2 TYR 88 HE1 TYR 88 21.358 14.597 -3.362 686 HH TYR 88 HH TYR 88 21.310 17.737 -4.249 687 H VAL 89 H VAL 89 19.490 15.610 0.811 688 HA VAL 89 HA VAL 89 18.777 12.889 0.072 689 HB VAL 89 HB VAL 89 16.428 13.180 0.853 690 HG11 VAL 89 HG11 VAL 89 18.116 11.854 2.100 691 HG12 VAL 89 HG12 VAL 89 18.452 13.278 3.086 692 HG13 VAL 89 HG13 VAL 89 16.855 12.531 3.129 693 HG21 VAL 89 HG21 VAL 89 17.148 15.161 2.882 694 HG22 VAL 89 HG22 VAL 89 17.122 15.797 1.236 695 HG23 VAL 89 HG23 VAL 89 15.687 15.018 1.903 696 H SER 90 H SER 90 17.476 12.760 -1.744 697 HA SER 90 HA SER 90 17.337 15.200 -3.317 698 HB2 SER 90 HB2 SER 90 17.803 12.497 -3.919 699 HB3 SER 90 HB3 SER 90 16.236 12.872 -4.636 700 HG SER 90 HG SER 90 17.525 13.587 -6.173 701 H ALA 91 H ALA 91 15.242 14.935 -4.938 702 HA ALA 91 HA ALA 91 13.064 15.816 -3.392 703 HB1 ALA 91 HB1 ALA 91 12.946 16.670 -5.501 704 HB2 ALA 91 HB2 ALA 91 13.499 15.175 -6.259 705 HB3 ALA 91 HB3 ALA 91 11.838 15.310 -5.684 706 H SER 92 H SER 92 12.497 13.253 -5.718 707 HA SER 92 HA SER 92 11.005 11.793 -3.656 708 HB2 SER 92 HB2 SER 92 9.821 10.717 -5.503 709 HB3 SER 92 HB3 SER 92 9.761 12.470 -5.686 710 HG SER 92 HG SER 92 10.421 11.916 -7.635 711 H THR 93 H THR 93 13.990 11.755 -4.948 712 HA THR 93 HA THR 93 14.299 8.942 -5.460 713 HB THR 93 HB THR 93 16.705 10.563 -4.864 714 HG1 THR 93 HG1 THR 93 14.960 11.112 -7.049 715 HG21 THR 93 HG21 THR 93 16.519 9.335 -7.475 716 HG22 THR 93 HG22 THR 93 16.101 8.190 -6.201 717 HG23 THR 93 HG23 THR 93 17.656 9.020 -6.166 718 H THR 94 H THR 94 14.504 11.026 -2.712 719 HA THR 94 HA THR 94 15.994 9.094 -1.127 720 HB THR 94 HB THR 94 14.901 11.836 -0.508 721 HG1 THR 94 HG1 THR 94 17.575 11.055 -0.178 722 HG21 THR 94 HG21 THR 94 14.792 10.093 1.415 723 HG22 THR 94 HG22 THR 94 15.528 11.665 1.722 724 HG23 THR 94 HG23 THR 94 16.548 10.256 1.433 725 H GLU 95 H GLU 95 14.935 7.407 -0.320 726 HA GLU 95 HA GLU 95 12.113 7.717 0.429 727 HB2 GLU 95 HB2 GLU 95 13.594 5.103 0.283 728 HB3 GLU 95 HB3 GLU 95 11.862 5.390 0.175 729 HG2 GLU 95 HG2 GLU 95 12.328 6.605 -1.989 730 HG3 GLU 95 HG3 GLU 95 13.963 5.954 -1.893 731 H LEU 96 H LEU 96 13.094 8.953 2.322 732 HA LEU 96 HA LEU 96 14.601 7.915 4.345 733 HB2 LEU 96 HB2 LEU 96 12.895 9.254 5.850 734 HB3 LEU 96 HB3 LEU 96 14.035 10.069 4.781 735 HG LEU 96 HG LEU 96 11.624 10.920 4.836 736 HD11 LEU 96 HD11 LEU 96 12.252 11.938 2.971 737 HD12 LEU 96 HD12 LEU 96 11.980 10.467 2.035 738 HD13 LEU 96 HD13 LEU 96 13.548 10.754 2.790 739 HD21 LEU 96 HD21 LEU 96 11.091 8.697 2.902 740 HD22 LEU 96 HD22 LEU 96 9.950 9.764 3.722 741 HD23 LEU 96 HD23 LEU 96 10.771 8.490 4.625 742 H VAL 97 H VAL 97 11.424 6.953 3.400 743 HA VAL 97 HA VAL 97 11.443 4.562 4.810 744 HB VAL 97 HB VAL 97 11.215 6.266 6.744 745 HG11 VAL 97 HG11 VAL 97 9.293 7.404 5.391 746 HG12 VAL 97 HG12 VAL 97 8.296 6.152 6.134 747 HG13 VAL 97 HG13 VAL 97 9.191 7.285 7.147 748 HG21 VAL 97 HG21 VAL 97 10.457 4.551 7.982 749 HG22 VAL 97 HG22 VAL 97 8.996 4.363 7.011 750 HG23 VAL 97 HG23 VAL 97 10.516 3.654 6.464 751 H ARG 98 H ARG 98 9.573 3.304 4.460 752 HA ARG 98 HA ARG 98 7.704 4.484 2.513 753 HB2 ARG 98 HB2 ARG 98 7.458 2.318 1.526 754 HB3 ARG 98 HB3 ARG 98 9.180 2.629 1.700 755 HG2 ARG 98 HG2 ARG 98 7.737 1.127 3.833 756 HG3 ARG 98 HG3 ARG 98 8.191 0.310 2.337 757 HD2 ARG 98 HD2 ARG 98 10.516 1.495 2.874 758 HD3 ARG 98 HD3 ARG 98 9.890 1.380 4.519 759 HE ARG 98 HE ARG 98 10.862 -0.760 2.893 760 HH11 ARG 98 HH11 ARG 98 8.646 0.058 5.449 761 HH12 ARG 98 HH12 ARG 98 8.631 -1.538 6.125 762 HH21 ARG 98 HH21 ARG 98 10.850 -2.866 3.771 763 HH22 ARG 98 HH22 ARG 98 9.885 -3.200 5.169 764 H VAL 99 H VAL 99 5.490 3.792 2.579 765 HA VAL 99 HA VAL 99 4.637 2.945 5.271 766 HB VAL 99 HB VAL 99 3.371 4.881 3.346 767 HG11 VAL 99 HG11 VAL 99 1.578 4.923 5.271 768 HG12 VAL 99 HG12 VAL 99 1.458 3.769 3.941 769 HG13 VAL 99 HG13 VAL 99 2.108 3.257 5.498 770 HG21 VAL 99 HG21 VAL 99 3.699 5.338 6.268 771 HG22 VAL 99 HG22 VAL 99 5.127 5.426 5.236 772 HG23 VAL 99 HG23 VAL 99 3.751 6.488 4.933 773 H THR 100 H THR 100 3.120 1.358 5.471 774 HA THR 100 HA THR 100 2.075 0.168 2.987 775 HB THR 100 HB THR 100 3.947 -1.201 3.843 776 HG1 THR 100 HG1 THR 100 1.975 -2.120 2.841 777 HG21 THR 100 HG21 THR 100 3.652 -2.444 5.954 778 HG22 THR 100 HG22 THR 100 2.194 -1.506 6.284 779 HG23 THR 100 HG23 THR 100 3.762 -0.703 6.216 780 H ASN 101 H ASN 101 0.247 -1.409 3.479 781 HA ASN 101 HA ASN 101 -1.843 -1.798 4.286 782 HB2 ASN 101 HB2 ASN 101 -0.395 -2.023 6.446 783 HB3 ASN 101 HB3 ASN 101 -1.120 -0.478 6.882 784 HD21 ASN 101 HD21 ASN 101 -2.399 -1.116 8.520 785 HD22 ASN 101 HD22 ASN 101 -3.703 -2.238 8.358 786 H LEU 102 H LEU 102 -2.685 -0.251 2.805 787 HA LEU 102 HA LEU 102 -3.792 2.110 4.150 788 HB2 LEU 102 HB2 LEU 102 -1.811 2.180 2.158 789 HB3 LEU 102 HB3 LEU 102 -3.313 2.667 1.375 790 HG LEU 102 HG LEU 102 -2.255 4.656 2.075 791 HD11 LEU 102 HD11 LEU 102 -3.860 5.635 3.496 792 HD12 LEU 102 HD12 LEU 102 -4.215 4.099 4.285 793 HD13 LEU 102 HD13 LEU 102 -4.711 4.366 2.614 794 HD21 LEU 102 HD21 LEU 102 -1.916 3.370 4.782 795 HD22 LEU 102 HD22 LEU 102 -1.492 5.032 4.374 796 HD23 LEU 102 HD23 LEU 102 -0.637 3.691 3.611 797 H ASN 103 H ASN 103 -5.799 2.827 3.349 798 HA ASN 103 HA ASN 103 -7.467 0.751 2.334 799 HB2 ASN 103 HB2 ASN 103 -7.814 3.470 3.383 800 HB3 ASN 103 HB3 ASN 103 -8.973 3.040 2.129 801 HD21 ASN 103 HD21 ASN 103 -7.430 1.281 4.800 802 HD22 ASN 103 HD22 ASN 103 -8.903 0.698 5.489 803 HA PRO 104 HA PRO 104 -7.418 1.450 -1.996 804 HB2 PRO 104 HB2 PRO 104 -10.026 1.118 -2.671 805 HB3 PRO 104 HB3 PRO 104 -8.981 -0.222 -2.188 806 HG2 PRO 104 HG2 PRO 104 -10.992 1.290 -0.567 807 HG3 PRO 104 HG3 PRO 104 -10.687 -0.456 -0.626 808 HD2 PRO 104 HD2 PRO 104 -9.744 1.122 1.362 809 HD3 PRO 104 HD3 PRO 104 -8.871 -0.314 0.788 810 H ILE 105 H ILE 105 -6.839 3.646 -2.112 811 HA ILE 105 HA ILE 105 -8.828 5.714 -1.886 812 HB ILE 105 HB ILE 105 -6.053 5.982 -3.037 813 HG12 ILE 105 HG12 ILE 105 -5.884 4.964 -0.828 814 HG13 ILE 105 HG13 ILE 105 -5.351 6.640 -0.759 815 HG21 ILE 105 HG21 ILE 105 -6.355 8.321 -2.083 816 HG22 ILE 105 HG22 ILE 105 -7.297 7.915 -3.517 817 HG23 ILE 105 HG23 ILE 105 -8.064 7.917 -1.930 818 HD11 ILE 105 HD11 ILE 105 -7.580 7.252 0.129 819 HD12 ILE 105 HD12 ILE 105 -7.987 5.536 0.174 820 HD13 ILE 105 HD13 ILE 105 -6.673 6.158 1.172 821 H TYR 106 H TYR 106 -9.557 7.075 -3.561 822 HA TYR 106 HA TYR 106 -8.906 6.813 -6.271 823 HB2 TYR 106 HB2 TYR 106 -11.142 5.728 -6.965 824 HB3 TYR 106 HB3 TYR 106 -9.854 4.675 -6.394 825 HD1 TYR 106 HD2 TYR 106 -12.629 6.668 -4.861 826 HD2 TYR 106 HD1 TYR 106 -10.544 2.963 -5.025 827 HE1 TYR 106 HE2 TYR 106 -14.146 5.746 -3.158 828 HE2 TYR 106 HE1 TYR 106 -12.057 2.030 -3.325 829 HH TYR 106 HH TYR 106 -14.566 2.610 -2.576 830 H ALA 107 H ALA 107 -9.515 8.830 -4.326 831 HA ALA 107 HA ALA 107 -11.128 10.536 -5.902 832 HB1 ALA 107 HB1 ALA 107 -13.134 10.654 -4.796 833 HB2 ALA 107 HB2 ALA 107 -12.776 8.934 -4.638 834 HB3 ALA 107 HB3 ALA 107 -12.466 10.026 -3.290 835 H ASP 108 H ASP 108 -11.954 12.412 -4.119 836 HA ASP 108 HA ASP 108 -11.223 14.189 -2.903 837 HB2 ASP 108 HB2 ASP 108 -11.052 12.517 -1.107 838 HB3 ASP 108 HB3 ASP 108 -9.414 12.130 -1.625 839 H GLY 109 H GLY 109 -10.278 15.499 -4.393 840 HA2 GLY 109 HA2 GLY 109 -7.595 16.129 -4.247 841 HA3 GLY 109 HA3 GLY 109 -7.730 14.970 -5.561 842 H SER 110 H SER 110 -9.532 17.832 -4.421 843 HA SER 110 HA SER 110 -10.434 18.582 -6.978 844 HB2 SER 110 HB2 SER 110 -10.643 19.581 -4.298 845 HB3 SER 110 HB3 SER 110 -10.242 20.916 -5.377 846 HG SER 110 HG SER 110 -12.036 20.351 -6.646 847 H HIS 111 H HIS 111 -7.887 20.081 -4.977 848 HA HIS 111 HA HIS 111 -6.018 21.258 -5.523 849 HB2 HIS 111 HB2 HIS 111 -5.532 19.144 -6.787 850 HB3 HIS 111 HB3 HIS 111 -6.226 19.903 -8.218 851 HD1 HIS 111 HD1 HIS 111 -3.700 21.206 -5.679 852 HD2 HIS 111 HD2 HIS 111 -4.130 20.602 -9.767 853 HE1 HIS 111 HE1 HIS 111 -1.597 22.114 -6.718 854 H HIS 112 H HIS 112 -7.173 23.237 -5.437 855 HA HIS 112 HA HIS 112 -7.164 24.654 -7.963 856 HB2 HIS 112 HB2 HIS 112 -9.429 25.403 -7.893 857 HB3 HIS 112 HB3 HIS 112 -9.469 23.650 -7.730 858 HD1 HIS 112 HD1 HIS 112 -8.918 23.428 -4.701 859 HD2 HIS 112 HD2 HIS 112 -11.607 26.094 -6.409 860 HE1 HIS 112 HE1 HIS 112 -10.559 23.989 -2.879 861 H HIS 113 H HIS 113 -7.927 27.033 -7.503 862 HA HIS 113 HA HIS 113 -7.681 28.106 -4.917 863 HB2 HIS 113 HB2 HIS 113 -5.442 29.158 -5.120 864 HB3 HIS 113 HB3 HIS 113 -5.364 27.400 -5.026 865 HD1 HIS 113 HD1 HIS 113 -3.971 30.113 -6.849 866 HD2 HIS 113 HD2 HIS 113 -5.202 26.269 -7.835 867 HE1 HIS 113 HE1 HIS 113 -2.822 29.575 -9.020 868 H HIS 114 H HIS 114 -9.496 28.636 -6.778 869 HA HIS 114 HA HIS 114 -10.553 30.316 -7.888 870 HB2 HIS 114 HB2 HIS 114 -9.715 31.577 -5.839 871 HB3 HIS 114 HB3 HIS 114 -8.403 32.164 -6.856 872 HD1 HIS 114 HD1 HIS 114 -8.899 34.114 -8.366 873 HD2 HIS 114 HD2 HIS 114 -12.322 32.498 -6.653 874 HE1 HIS 114 HE1 HIS 114 -10.756 35.711 -8.939 875 H HIS 115 H HIS 115 -10.065 29.487 -9.940 876 HA HIS 115 HA HIS 115 -7.687 29.874 -11.349 877 HB2 HIS 115 HB2 HIS 115 -10.524 29.378 -12.204 878 HB3 HIS 115 HB3 HIS 115 -9.260 29.643 -13.401 879 HD1 HIS 115 HD1 HIS 115 -7.119 27.922 -13.077 880 HD2 HIS 115 HD2 HIS 115 -10.779 26.788 -11.470 881 HE1 HIS 115 HE1 HIS 115 -6.959 25.437 -12.729 882 H HIS 116 H HIS 116 -7.536 31.200 -13.413 883 HA HIS 116 HA HIS 116 -7.250 33.266 -14.328 884 HB2 HIS 116 HB2 HIS 116 -10.090 33.591 -13.339 885 HB3 HIS 116 HB3 HIS 116 -9.295 34.668 -14.484 886 HD1 HIS 116 HD1 HIS 116 -10.401 31.054 -14.199 887 HD2 HIS 116 HD2 HIS 116 -9.473 33.888 -17.092 888 HE1 HIS 116 HE1 HIS 116 -10.998 29.990 -16.397 889 H2 B6D 117 H2 B6D 117 23.501 30.085 3.621 890 H1 B6D 117 H1 B6D 117 21.635 28.989 5.809 891 H3 B6D 117 H3 B6D 117 24.082 28.284 6.024 892 HN2 B6D 117 HN2 B6D 117 23.326 27.242 3.920 893 H5 B6D 117 H5 B6D 117 23.083 30.172 7.581 894 H8 B6D 117 H22 B6D 117 20.775 26.315 2.121 895 H8A B6D 117 H21 B6D 117 22.492 25.898 2.335 896 H8B B6D 117 H23 B6D 117 21.932 26.614 0.800 897 H4 B6D 117 H4 B6D 117 24.962 31.137 5.366 898 HN4 B6D 117 HN4 B6D 117 26.613 30.605 6.821 899 H9 B6D 117 H43 B6D 117 27.686 29.900 8.628 900 H9A B6D 117 H41 B6D 117 26.616 30.176 10.026 901 H9B B6D 117 H42 B6D 117 27.037 28.513 9.549 902 H6 B6D 117 H62 B6D 117 24.287 32.250 8.226 903 H6A B6D 117 H63 B6D 117 23.835 32.998 6.681 904 H6B B6D 117 H61 B6D 117 22.584 32.601 7.870 905 H1 A2G 118 H1 A2G 118 26.315 27.516 6.206 906 H2 A2G 118 H2 A2G 118 28.221 26.564 4.910 907 H3 A2G 118 H3 A2G 118 27.094 28.312 2.667 908 H4 A2G 118 H4 A2G 118 26.832 26.224 1.457 909 H5 A2G 118 H5 A2G 118 25.013 26.841 2.780 910 H61 A2G 118 H61 A2G 118 25.402 23.902 2.724 911 H62 A2G 118 H62 A2G 118 24.180 24.928 1.957 912 H81 A2G 118 H81 A2G 118 29.902 30.632 5.736 913 H82 A2G 118 H82 A2G 118 31.456 29.791 5.961 914 H83 A2G 118 H83 A2G 118 30.257 29.797 7.278 915 HO3 A2G 118 HO3 A2G 118 29.030 27.039 1.660 916 HO6 A2G 118 HO6 A2G 118 24.263 23.983 4.621 917 HN2 A2G 118 HN2 A2G 118 28.054 29.512 5.038 918 H1 A2G 119 H1 A2G 119 26.874 23.820 1.335 919 H2 A2G 119 H2 A2G 119 28.208 21.773 1.831 920 H3 A2G 119 H3 A2G 119 29.359 23.510 4.071 921 H4 A2G 119 H4 A2G 119 31.492 23.142 2.974 922 H5 A2G 119 H5 A2G 119 30.295 24.998 2.223 923 H61 A2G 119 H61 A2G 119 31.228 23.921 -0.430 924 H62 A2G 119 H62 A2G 119 32.326 24.465 0.847 925 H81 A2G 119 H81 A2G 119 24.652 21.573 4.377 926 H82 A2G 119 H82 A2G 119 25.536 20.462 5.453 927 H83 A2G 119 H83 A2G 119 24.677 19.818 4.032 928 HO3 A2G 119 HO3 A2G 119 29.838 21.752 5.062 929 HO6 A2G 119 HO6 A2G 119 31.995 26.354 -0.065 930 HN2 A2G 119 HN2 A2G 119 26.517 22.908 3.953 931 H1 A2G 120 H1 A2G 120 32.884 22.197 1.406 932 H2 A2G 120 H2 A2G 120 33.362 20.368 -0.221 933 H3 A2G 120 H3 A2G 120 30.340 19.925 -0.054 934 H4 A2G 120 H4 A2G 120 30.920 17.705 0.735 935 H5 A2G 120 H5 A2G 120 30.721 19.329 2.397 936 H61 A2G 120 H61 A2G 120 33.197 18.178 3.573 937 H62 A2G 120 H62 A2G 120 31.908 17.075 3.068 938 H81 A2G 120 H81 A2G 120 33.601 23.598 -3.385 939 H82 A2G 120 H82 A2G 120 32.716 24.670 -2.271 940 H83 A2G 120 H83 A2G 120 31.852 23.350 -3.099 941 HO6 A2G 120 HO6 A2G 120 30.439 18.414 4.328 942 HN2 A2G 120 HN2 A2G 120 31.279 21.778 -1.625 943 H1 A2G 121 H1 A2G 121 32.371 15.985 1.206 944 H2 A2G 121 H2 A2G 121 34.584 14.886 0.875 945 H3 A2G 121 H3 A2G 121 35.411 17.669 -0.090 946 H4 A2G 121 H4 A2G 121 35.925 16.559 -2.186 947 H5 A2G 121 H5 A2G 121 33.736 17.337 -1.986 948 H61 A2G 121 H61 A2G 121 32.263 15.715 -3.339 949 H62 A2G 121 H62 A2G 121 33.715 14.706 -3.400 950 H81 A2G 121 H81 A2G 121 34.124 16.394 5.209 951 H82 A2G 121 H82 A2G 121 35.753 16.869 4.667 952 H83 A2G 121 H83 A2G 121 35.499 15.265 5.398 953 HO3 A2G 121 HO3 A2G 121 37.262 17.135 0.697 954 HO6 A2G 121 HO6 A2G 121 34.810 16.300 -4.477 955 HN2 A2G 121 HN2 A2G 121 35.007 17.321 2.486 956 H1 A2G 122 H1 A2G 122 35.921 14.521 -3.630 957 H2 A2G 122 H2 A2G 122 36.794 12.186 -3.592 958 H3 A2G 122 H3 A2G 122 36.142 12.379 -0.610 959 H4 A2G 122 H4 A2G 122 38.510 11.961 -0.280 960 H5 A2G 122 H5 A2G 122 37.919 14.207 -0.501 961 H61 A2G 122 H61 A2G 122 39.886 15.428 -1.399 962 H62 A2G 122 H62 A2G 122 40.464 13.896 -2.070 963 H81 A2G 122 H81 A2G 122 32.263 11.992 -3.794 964 H82 A2G 122 H82 A2G 122 32.821 10.340 -4.164 965 H83 A2G 122 H83 A2G 122 32.538 11.495 -5.491 966 HO3 A2G 122 HO3 A2G 122 35.548 10.360 -1.277 967 HO6 A2G 122 HO6 A2G 122 41.241 14.510 0.126 968 HN2 A2G 122 HN2 A2G 122 34.165 12.083 -2.287 969 H2 BGC 123 H2 BGC 123 31.098 18.089 -3.944 970 H3 BGC 123 H3 BGC 123 28.106 17.528 -3.980 971 H4 BGC 123 H4 BGC 123 30.221 15.332 -3.659 972 H5 BGC 123 H5 BGC 123 28.271 16.435 -1.566 973 H6C1 BGC 123 H61 BGC 123 29.703 14.892 -0.023 974 H6C2 BGC 123 H62 BGC 123 28.464 14.106 -1.019 975 H1 BGC 123 H1 BGC 123 29.281 18.706 -1.560 976 HB BGC 123 HO2 BGC 123 30.014 20.209 -3.374 977 HC BGC 123 HO3 BGC 123 28.867 16.318 -5.843 978 HD BGC 123 HO4 BGC 123 27.357 15.353 -3.464 979 H6 BGC 123 HO6 BGC 123 30.966 13.471 -1.002 Start of MODEL 13 1 H1 ASP 1 H ASP 1 1.517 -1.303 -1.947 2 HA ASP 1 HA ASP 1 2.350 0.235 0.264 3 HB2 ASP 1 HB2 ASP 1 3.780 -1.485 -1.741 4 HB3 ASP 1 HB3 ASP 1 4.693 -0.541 -0.566 5 H VAL 2 H VAL 2 3.341 2.163 0.434 6 HA VAL 2 HA VAL 2 4.219 3.501 -2.036 7 HB VAL 2 HB VAL 2 2.585 4.758 0.172 8 HG11 VAL 2 HG11 VAL 2 2.681 6.644 -1.730 9 HG12 VAL 2 HG12 VAL 2 3.832 6.562 -0.395 10 HG13 VAL 2 HG13 VAL 2 4.262 5.904 -1.974 11 HG21 VAL 2 HG21 VAL 2 1.422 5.186 -2.342 12 HG22 VAL 2 HG22 VAL 2 1.878 3.483 -2.305 13 HG23 VAL 2 HG23 VAL 2 0.831 4.142 -1.049 14 H ILE 3 H ILE 3 5.942 4.934 -1.826 15 HA ILE 3 HA ILE 3 7.408 4.716 0.718 16 HB ILE 3 HB ILE 3 8.479 5.228 -2.059 17 HG12 ILE 3 HG12 ILE 3 8.720 2.833 -0.226 18 HG13 ILE 3 HG13 ILE 3 7.776 2.909 -1.709 19 HG21 ILE 3 HG21 ILE 3 9.578 5.858 0.484 20 HG22 ILE 3 HG22 ILE 3 10.514 4.537 -0.214 21 HG23 ILE 3 HG23 ILE 3 10.311 6.043 -1.110 22 HD11 ILE 3 HD11 ILE 3 10.058 3.493 -2.806 23 HD12 ILE 3 HD12 ILE 3 10.727 2.758 -1.348 24 HD13 ILE 3 HD13 ILE 3 9.670 1.820 -2.403 25 H ILE 4 H ILE 4 7.396 6.489 1.920 26 HA ILE 4 HA ILE 4 6.462 8.993 1.071 27 HB ILE 4 HB ILE 4 8.178 8.298 3.457 28 HG12 ILE 4 HG12 ILE 4 5.195 8.698 3.140 29 HG13 ILE 4 HG13 ILE 4 6.016 7.175 3.467 30 HG21 ILE 4 HG21 ILE 4 7.443 10.444 4.389 31 HG22 ILE 4 HG22 ILE 4 8.394 10.658 2.921 32 HG23 ILE 4 HG23 ILE 4 6.639 10.824 2.866 33 HD11 ILE 4 HD11 ILE 4 6.827 8.945 5.481 34 HD12 ILE 4 HD12 ILE 4 5.086 9.160 5.296 35 HD13 ILE 4 HD13 ILE 4 5.747 7.558 5.624 36 H LYS 5 H LYS 5 7.445 10.809 0.336 37 HA LYS 5 HA LYS 5 10.349 10.655 -0.145 38 HB2 LYS 5 HB2 LYS 5 8.240 11.978 -1.861 39 HB3 LYS 5 HB3 LYS 5 9.971 12.018 -2.168 40 HG2 LYS 5 HG2 LYS 5 8.145 9.632 -2.258 41 HG3 LYS 5 HG3 LYS 5 9.023 10.376 -3.596 42 HD2 LYS 5 HD2 LYS 5 11.150 9.782 -2.387 43 HD3 LYS 5 HD3 LYS 5 10.163 8.841 -1.265 44 HE2 LYS 5 HE2 LYS 5 10.518 8.414 -4.225 45 HE3 LYS 5 HE3 LYS 5 11.000 7.339 -2.914 46 HZ1 LYS 5 HZ1 LYS 5 8.549 7.229 -2.362 47 HZ2 LYS 5 HZ2 LYS 5 9.039 6.435 -3.772 48 HZ3 LYS 5 HZ3 LYS 5 8.267 7.937 -3.872 49 HA PRO 6 HA PRO 6 10.892 14.459 1.972 50 HB2 PRO 6 HB2 PRO 6 12.834 15.655 0.500 51 HB3 PRO 6 HB3 PRO 6 13.141 14.260 1.541 52 HG2 PRO 6 HG2 PRO 6 12.714 14.356 -1.421 53 HG3 PRO 6 HG3 PRO 6 13.903 13.425 -0.491 54 HD2 PRO 6 HD2 PRO 6 11.622 12.327 -1.452 55 HD3 PRO 6 HD3 PRO 6 12.376 11.790 0.063 56 H GLN 7 H GLN 7 9.702 14.390 -1.204 57 HA GLN 7 HA GLN 7 8.252 15.799 -2.276 58 HB2 GLN 7 HB2 GLN 7 7.724 16.493 0.185 59 HB3 GLN 7 HB3 GLN 7 8.665 17.926 -0.206 60 HG2 GLN 7 HG2 GLN 7 7.156 18.431 -2.047 61 HG3 GLN 7 HG3 GLN 7 6.223 16.980 -1.687 62 HE21 GLN 7 HE21 GLN 7 4.952 16.918 0.177 63 HE22 GLN 7 HE22 GLN 7 4.491 18.357 1.014 64 H VAL 8 H VAL 8 11.019 17.461 -0.790 65 HA VAL 8 HA VAL 8 11.640 18.598 -3.432 66 HB VAL 8 HB VAL 8 12.512 20.632 -2.259 67 HG11 VAL 8 HG11 VAL 8 10.493 20.960 -3.370 68 HG12 VAL 8 HG12 VAL 8 9.598 19.929 -2.252 69 HG13 VAL 8 HG13 VAL 8 10.153 21.522 -1.734 70 HG21 VAL 8 HG21 VAL 8 11.111 19.351 0.077 71 HG22 VAL 8 HG22 VAL 8 12.797 19.858 -0.032 72 HG23 VAL 8 HG23 VAL 8 11.514 21.068 0.013 73 H SER 9 H SER 9 13.986 19.723 -3.113 74 HA SER 9 HA SER 9 15.706 17.512 -2.249 75 HB2 SER 9 HB2 SER 9 16.988 19.731 -3.674 76 HB3 SER 9 HB3 SER 9 17.046 17.999 -3.998 77 HG SER 9 HG SER 9 15.657 18.328 -5.524 78 H GLY 10 H GLY 10 16.555 17.679 -0.286 79 HA2 GLY 10 HA2 GLY 10 17.998 20.038 0.498 80 HA3 GLY 10 HA3 GLY 10 16.519 19.811 1.421 81 H VAL 11 H VAL 11 17.292 19.262 3.384 82 HA VAL 11 HA VAL 11 18.711 16.708 3.568 83 HB VAL 11 HB VAL 11 20.397 17.461 5.006 84 HG11 VAL 11 HG11 VAL 11 20.431 18.268 2.516 85 HG12 VAL 11 HG12 VAL 11 20.296 19.868 3.247 86 HG13 VAL 11 HG13 VAL 11 21.660 18.825 3.653 87 HG21 VAL 11 HG21 VAL 11 19.589 18.842 6.607 88 HG22 VAL 11 HG22 VAL 11 20.278 20.085 5.564 89 HG23 VAL 11 HG23 VAL 11 18.555 19.721 5.481 90 H ILE 12 H ILE 12 18.221 15.504 5.371 91 HA ILE 12 HA ILE 12 15.754 15.972 6.634 92 HB ILE 12 HB ILE 12 17.983 14.116 7.477 93 HG12 ILE 12 HG12 ILE 12 17.107 13.735 5.184 94 HG13 ILE 12 HG13 ILE 12 16.759 12.399 6.275 95 HG21 ILE 12 HG21 ILE 12 16.456 14.525 9.314 96 HG22 ILE 12 HG22 ILE 12 15.076 14.172 8.275 97 HG23 ILE 12 HG23 ILE 12 16.221 12.894 8.685 98 HD11 ILE 12 HD11 ILE 12 14.963 13.686 4.638 99 HD12 ILE 12 HD12 ILE 12 14.570 12.620 5.988 100 HD13 ILE 12 HD13 ILE 12 14.632 14.365 6.232 101 H VAL 13 H VAL 13 15.208 16.671 8.675 102 HA VAL 13 HA VAL 13 17.368 17.936 10.236 103 HB VAL 13 HB VAL 13 14.574 18.990 10.358 104 HG11 VAL 13 HG11 VAL 13 17.012 19.649 11.532 105 HG12 VAL 13 HG12 VAL 13 16.740 20.898 10.315 106 HG13 VAL 13 HG13 VAL 13 15.528 20.599 11.562 107 HG21 VAL 13 HG21 VAL 13 15.330 20.651 8.558 108 HG22 VAL 13 HG22 VAL 13 16.535 19.438 8.127 109 HG23 VAL 13 HG23 VAL 13 14.817 19.048 8.030 110 H ASN 14 H ASN 14 14.284 16.244 10.299 111 HA ASN 14 HA ASN 14 14.902 14.953 12.752 112 HB2 ASN 14 HB2 ASN 14 13.931 17.455 13.186 113 HB3 ASN 14 HB3 ASN 14 12.435 16.525 13.155 114 HD21 ASN 14 HD21 ASN 14 12.235 14.742 14.628 115 HD22 ASN 14 HD22 ASN 14 13.084 14.774 16.134 116 H LYS 15 H LYS 15 13.118 13.525 13.478 117 HA LYS 15 HA LYS 15 11.096 13.007 11.424 118 HB2 LYS 15 HB2 LYS 15 11.785 10.461 12.097 119 HB3 LYS 15 HB3 LYS 15 12.360 11.302 10.663 120 HG2 LYS 15 HG2 LYS 15 14.273 10.379 11.641 121 HG3 LYS 15 HG3 LYS 15 14.310 12.086 12.089 122 HD2 LYS 15 HD2 LYS 15 14.877 10.720 14.007 123 HD3 LYS 15 HD3 LYS 15 13.318 11.505 14.273 124 HE2 LYS 15 HE2 LYS 15 13.412 9.097 14.949 125 HE3 LYS 15 HE3 LYS 15 12.137 9.492 13.797 126 HZ1 LYS 15 HZ1 LYS 15 13.448 8.594 12.024 127 HZ2 LYS 15 HZ2 LYS 15 13.346 7.434 13.250 128 HZ3 LYS 15 HZ3 LYS 15 14.766 8.331 13.051 129 H LEU 16 H LEU 16 9.415 13.596 12.733 130 HA LEU 16 HA LEU 16 9.202 12.581 15.430 131 HB2 LEU 16 HB2 LEU 16 6.918 13.886 14.043 132 HB3 LEU 16 HB3 LEU 16 7.455 14.036 15.715 133 HG LEU 16 HG LEU 16 8.732 15.332 13.307 134 HD11 LEU 16 HD11 LEU 16 7.581 17.202 13.770 135 HD12 LEU 16 HD12 LEU 16 7.680 16.956 15.513 136 HD13 LEU 16 HD13 LEU 16 6.459 16.101 14.571 137 HD21 LEU 16 HD21 LEU 16 10.544 15.688 14.534 138 HD22 LEU 16 HD22 LEU 16 9.870 14.648 15.789 139 HD23 LEU 16 HD23 LEU 16 9.572 16.387 15.829 140 H PHE 17 H PHE 17 9.393 10.386 13.996 141 HA PHE 17 HA PHE 17 6.699 9.255 14.124 142 HB2 PHE 17 HB2 PHE 17 6.649 8.439 11.983 143 HB3 PHE 17 HB3 PHE 17 7.591 9.900 11.702 144 HD1 PHE 17 HD1 PHE 17 10.074 9.739 11.526 145 HD2 PHE 17 HD2 PHE 17 7.564 6.303 11.608 146 HE1 PHE 17 HE1 PHE 17 11.903 8.383 10.594 147 HE2 PHE 17 HE2 PHE 17 9.389 4.942 10.677 148 HZ PHE 17 HZ PHE 17 11.563 5.982 10.169 149 H LYS 18 H LYS 18 6.671 6.935 14.355 150 HA LYS 18 HA LYS 18 9.171 5.907 15.524 151 HB2 LYS 18 HB2 LYS 18 6.292 5.532 16.244 152 HB3 LYS 18 HB3 LYS 18 7.440 4.255 16.620 153 HG2 LYS 18 HG2 LYS 18 8.207 6.986 17.432 154 HG3 LYS 18 HG3 LYS 18 6.855 6.251 18.297 155 HD2 LYS 18 HD2 LYS 18 8.513 4.188 18.389 156 HD3 LYS 18 HD3 LYS 18 9.723 5.462 18.213 157 HE2 LYS 18 HE2 LYS 18 8.838 6.597 20.171 158 HE3 LYS 18 HE3 LYS 18 7.570 5.384 20.325 159 HZ1 LYS 18 HZ1 LYS 18 9.267 4.830 21.855 160 HZ2 LYS 18 HZ2 LYS 18 10.486 4.999 20.694 161 HZ3 LYS 18 HZ3 LYS 18 9.390 3.715 20.588 162 H ALA 19 H ALA 19 9.371 3.484 15.425 163 HA ALA 19 HA ALA 19 8.933 2.642 12.681 164 HB1 ALA 19 HB1 ALA 19 10.203 0.752 14.536 165 HB2 ALA 19 HB2 ALA 19 10.723 1.309 12.945 166 HB3 ALA 19 HB3 ALA 19 11.026 2.303 14.369 167 H GLY 20 H GLY 20 7.062 1.707 12.173 168 HA2 GLY 20 HA2 GLY 20 5.525 -0.055 12.177 169 HA3 GLY 20 HA3 GLY 20 6.137 -0.555 13.747 170 H ASP 21 H ASP 21 5.442 2.764 13.534 171 HA ASP 21 HA ASP 21 3.104 2.386 15.242 172 HB2 ASP 21 HB2 ASP 21 5.227 4.286 15.135 173 HB3 ASP 21 HB3 ASP 21 3.712 5.147 14.877 174 H LYS 22 H LYS 22 1.440 4.306 14.922 175 HA LYS 22 HA LYS 22 0.591 4.147 12.114 176 HB2 LYS 22 HB2 LYS 22 -0.807 4.052 14.684 177 HB3 LYS 22 HB3 LYS 22 -1.557 5.144 13.528 178 HG2 LYS 22 HG2 LYS 22 -0.956 2.799 12.109 179 HG3 LYS 22 HG3 LYS 22 -1.653 2.288 13.650 180 HD2 LYS 22 HD2 LYS 22 -2.917 4.426 11.956 181 HD3 LYS 22 HD3 LYS 22 -3.267 2.713 11.717 182 HE2 LYS 22 HE2 LYS 22 -4.791 2.852 13.326 183 HE3 LYS 22 HE3 LYS 22 -3.493 3.175 14.475 184 HZ1 LYS 22 HZ1 LYS 22 -3.727 5.526 14.061 185 HZ2 LYS 22 HZ2 LYS 22 -5.224 4.883 14.520 186 HZ3 LYS 22 HZ3 LYS 22 -4.921 5.246 12.895 187 H VAL 23 H VAL 23 -0.129 5.982 11.009 188 HA VAL 23 HA VAL 23 0.403 8.573 12.295 189 HB VAL 23 HB VAL 23 1.487 9.423 10.306 190 HG11 VAL 23 HG11 VAL 23 2.980 8.479 11.904 191 HG12 VAL 23 HG12 VAL 23 2.654 6.842 11.332 192 HG13 VAL 23 HG13 VAL 23 3.537 7.977 10.309 193 HG21 VAL 23 HG21 VAL 23 0.421 6.988 9.132 194 HG22 VAL 23 HG22 VAL 23 0.931 8.487 8.357 195 HG23 VAL 23 HG23 VAL 23 2.121 7.243 8.735 196 H LYS 24 H LYS 24 -0.664 10.387 11.272 197 HA LYS 24 HA LYS 24 -3.139 9.572 9.902 198 HB2 LYS 24 HB2 LYS 24 -4.315 11.077 11.132 199 HB3 LYS 24 HB3 LYS 24 -2.982 10.855 12.258 200 HG2 LYS 24 HG2 LYS 24 -3.051 13.123 12.191 201 HG3 LYS 24 HG3 LYS 24 -1.931 12.831 10.860 202 HD2 LYS 24 HD2 LYS 24 -3.698 14.479 10.309 203 HD3 LYS 24 HD3 LYS 24 -3.709 13.067 9.249 204 HE2 LYS 24 HE2 LYS 24 -5.770 12.489 9.888 205 HE3 LYS 24 HE3 LYS 24 -5.385 12.706 11.594 206 HZ1 LYS 24 HZ1 LYS 24 -5.651 15.143 11.200 207 HZ2 LYS 24 HZ2 LYS 24 -7.076 14.245 11.054 208 HZ3 LYS 24 HZ3 LYS 24 -6.267 14.778 9.667 209 H LYS 25 H LYS 25 -3.779 10.591 8.048 210 HA LYS 25 HA LYS 25 -1.880 11.622 6.315 211 HB2 LYS 25 HB2 LYS 25 -4.057 12.652 5.199 212 HB3 LYS 25 HB3 LYS 25 -3.734 10.923 5.171 213 HG2 LYS 25 HG2 LYS 25 -5.445 10.442 6.560 214 HG3 LYS 25 HG3 LYS 25 -5.250 11.926 7.495 215 HD2 LYS 25 HD2 LYS 25 -7.352 11.976 6.290 216 HD3 LYS 25 HD3 LYS 25 -6.257 13.197 5.639 217 HE2 LYS 25 HE2 LYS 25 -6.460 12.308 3.615 218 HE3 LYS 25 HE3 LYS 25 -5.826 10.777 4.217 219 HZ1 LYS 25 HZ1 LYS 25 -8.635 11.631 3.941 220 HZ2 LYS 25 HZ2 LYS 25 -8.215 10.408 5.031 221 HZ3 LYS 25 HZ3 LYS 25 -7.893 10.217 3.382 222 H GLY 26 H GLY 26 -0.645 13.283 7.116 223 HA2 GLY 26 HA2 GLY 26 -0.698 15.770 6.685 224 HA3 GLY 26 HA3 GLY 26 -2.078 15.780 7.773 225 H GLN 27 H GLN 27 -0.801 13.714 9.495 226 HA GLN 27 HA GLN 27 0.350 15.391 11.397 227 HB2 GLN 27 HB2 GLN 27 -0.027 12.513 11.048 228 HB3 GLN 27 HB3 GLN 27 1.412 12.911 11.976 229 HG2 GLN 27 HG2 GLN 27 -1.030 14.362 12.735 230 HG3 GLN 27 HG3 GLN 27 -1.042 12.624 13.037 231 HE21 GLN 27 HE21 GLN 27 1.066 11.825 14.064 232 HE22 GLN 27 HE22 GLN 27 1.662 12.771 15.381 233 H THR 28 H THR 28 2.556 15.355 12.247 234 HA THR 28 HA THR 28 4.473 15.611 10.088 235 HB THR 28 HB THR 28 5.241 15.996 12.951 236 HG1 THR 28 HG1 THR 28 4.226 17.996 12.984 237 HG21 THR 28 HG21 THR 28 6.115 16.885 10.288 238 HG22 THR 28 HG22 THR 28 7.045 16.656 11.771 239 HG23 THR 28 HG23 THR 28 6.123 18.140 11.528 240 H LEU 29 H LEU 29 5.931 14.128 9.544 241 HA LEU 29 HA LEU 29 6.580 12.015 11.491 242 HB2 LEU 29 HB2 LEU 29 6.593 11.538 8.536 243 HB3 LEU 29 HB3 LEU 29 6.510 10.365 9.850 244 HG LEU 29 HG LEU 29 4.271 12.234 9.073 245 HD11 LEU 29 HD11 LEU 29 3.773 10.828 7.437 246 HD12 LEU 29 HD12 LEU 29 3.625 9.523 8.613 247 HD13 LEU 29 HD13 LEU 29 5.175 9.835 7.831 248 HD21 LEU 29 HD21 LEU 29 2.920 10.770 10.507 249 HD22 LEU 29 HD22 LEU 29 4.205 11.572 11.410 250 HD23 LEU 29 HD23 LEU 29 4.374 9.876 10.953 251 H PHE 30 H PHE 30 7.681 13.823 8.651 252 HA PHE 30 HA PHE 30 10.439 13.492 9.616 253 HB2 PHE 30 HB2 PHE 30 9.504 13.348 6.744 254 HB3 PHE 30 HB3 PHE 30 11.190 13.404 7.244 255 HD1 PHE 30 HD1 PHE 30 8.139 11.370 7.181 256 HD2 PHE 30 HD2 PHE 30 12.278 11.483 8.165 257 HE1 PHE 30 HE1 PHE 30 8.152 8.919 7.394 258 HE2 PHE 30 HE2 PHE 30 12.298 9.032 8.379 259 HZ PHE 30 HZ PHE 30 10.232 7.746 7.993 260 H ILE 31 H ILE 31 11.924 15.134 8.477 261 HA ILE 31 HA ILE 31 10.617 17.627 7.768 262 HB ILE 31 HB ILE 31 12.456 17.468 10.159 263 HG12 ILE 31 HG12 ILE 31 9.511 18.127 9.945 264 HG13 ILE 31 HG13 ILE 31 10.205 16.690 10.687 265 HG21 ILE 31 HG21 ILE 31 12.061 19.870 10.375 266 HG22 ILE 31 HG22 ILE 31 12.824 19.483 8.834 267 HG23 ILE 31 HG23 ILE 31 11.101 19.847 8.896 268 HD11 ILE 31 HD11 ILE 31 11.258 18.085 12.391 269 HD12 ILE 31 HD12 ILE 31 10.548 19.519 11.649 270 HD13 ILE 31 HD13 ILE 31 9.507 18.290 12.365 271 H ILE 32 H ILE 32 11.782 18.761 6.331 272 HA ILE 32 HA ILE 32 14.663 18.278 6.122 273 HB ILE 32 HB ILE 32 12.664 17.898 3.908 274 HG12 ILE 32 HG12 ILE 32 15.002 16.140 4.140 275 HG13 ILE 32 HG13 ILE 32 13.958 16.119 5.557 276 HG21 ILE 32 HG21 ILE 32 15.511 18.767 3.738 277 HG22 ILE 32 HG22 ILE 32 14.865 17.680 2.510 278 HG23 ILE 32 HG23 ILE 32 14.123 19.258 2.767 279 HD11 ILE 32 HD11 ILE 32 12.622 15.895 2.939 280 HD12 ILE 32 HD12 ILE 32 13.604 14.524 3.453 281 HD13 ILE 32 HD13 ILE 32 12.277 15.088 4.469 282 H GLU 33 H GLU 33 15.848 20.016 5.446 283 HA GLU 33 HA GLU 33 14.339 22.505 5.005 284 HB2 GLU 33 HB2 GLU 33 15.970 23.694 6.144 285 HB3 GLU 33 HB3 GLU 33 15.924 22.184 7.043 286 HG2 GLU 33 HG2 GLU 33 18.171 22.449 6.812 287 HG3 GLU 33 HG3 GLU 33 17.822 21.498 5.370 288 H GLN 34 H GLN 34 14.616 23.615 3.168 289 HA GLN 34 HA GLN 34 16.947 23.055 1.489 290 HB2 GLN 34 HB2 GLN 34 15.584 22.793 -0.503 291 HB3 GLN 34 HB3 GLN 34 15.124 21.594 0.698 292 HG2 GLN 34 HG2 GLN 34 13.651 24.173 0.210 293 HG3 GLN 34 HG3 GLN 34 13.208 22.613 -0.484 294 HE21 GLN 34 HE21 GLN 34 13.535 20.905 1.575 295 HE22 GLN 34 HE22 GLN 34 12.456 21.296 2.866 296 H ASP 35 H ASP 35 14.561 25.188 2.682 297 HA ASP 35 HA ASP 35 14.216 27.429 2.487 298 HB2 ASP 35 HB2 ASP 35 16.652 27.397 3.106 299 HB3 ASP 35 HB3 ASP 35 17.032 27.508 1.390 300 H GLN 36 H GLN 36 12.667 27.664 0.957 301 HA GLN 36 HA GLN 36 13.560 28.471 -1.697 302 HB2 GLN 36 HB2 GLN 36 12.150 26.994 -2.895 303 HB3 GLN 36 HB3 GLN 36 13.013 25.996 -1.732 304 HG2 GLN 36 HG2 GLN 36 11.028 26.109 -0.246 305 HG3 GLN 36 HG3 GLN 36 10.173 26.965 -1.530 306 HE21 GLN 36 HE21 GLN 36 12.359 24.173 -1.541 307 HE22 GLN 36 HE22 GLN 36 11.262 23.099 -2.333 308 H ALA 37 H ALA 37 12.304 29.666 0.754 309 HA ALA 37 HA ALA 37 9.694 30.501 -0.253 310 HB1 ALA 37 HB1 ALA 37 10.766 31.626 2.266 311 HB2 ALA 37 HB2 ALA 37 9.143 31.054 1.876 312 HB3 ALA 37 HB3 ALA 37 10.422 29.896 2.241 313 H SER 38 H SER 38 12.552 31.345 -1.173 314 HA SER 38 HA SER 38 11.893 33.889 -2.101 315 HB2 SER 38 HB2 SER 38 13.001 33.846 0.603 316 HB3 SER 38 HB3 SER 38 13.942 34.847 -0.502 317 HG SER 38 HG SER 38 12.415 36.271 -0.404 318 H LYS 39 H LYS 39 13.513 34.797 -3.425 319 HA LYS 39 HA LYS 39 15.430 32.873 -4.380 320 HB2 LYS 39 HB2 LYS 39 15.060 35.736 -5.268 321 HB3 LYS 39 HB3 LYS 39 15.864 34.448 -6.154 322 HG2 LYS 39 HG2 LYS 39 12.954 34.914 -5.713 323 HG3 LYS 39 HG3 LYS 39 13.824 34.546 -7.205 324 HD2 LYS 39 HD2 LYS 39 14.326 32.281 -5.954 325 HD3 LYS 39 HD3 LYS 39 12.873 32.717 -5.051 326 HE2 LYS 39 HE2 LYS 39 13.127 32.366 -8.034 327 HE3 LYS 39 HE3 LYS 39 12.255 31.322 -6.912 328 HZ1 LYS 39 HZ1 LYS 39 10.764 33.178 -6.430 329 HZ2 LYS 39 HZ2 LYS 39 10.737 32.774 -8.072 330 HZ3 LYS 39 HZ3 LYS 39 11.583 34.144 -7.553 331 H ASP 40 H ASP 40 15.465 35.143 -1.951 332 HA ASP 40 HA ASP 40 18.386 35.485 -2.151 333 HB2 ASP 40 HB2 ASP 40 16.704 37.522 -2.097 334 HB3 ASP 40 HB3 ASP 40 16.724 37.210 -0.363 335 H PHE 41 H PHE 41 16.527 33.360 -0.895 336 HA PHE 41 HA PHE 41 17.799 33.386 1.763 337 HB2 PHE 41 HB2 PHE 41 15.046 32.511 0.927 338 HB3 PHE 41 HB3 PHE 41 15.796 31.869 2.385 339 HD1 PHE 41 HD2 PHE 41 15.442 35.231 0.795 340 HD2 PHE 41 HD1 PHE 41 15.084 32.864 4.314 341 HE1 PHE 41 HE2 PHE 41 14.692 37.211 2.047 342 HE2 PHE 41 HE1 PHE 41 14.333 34.841 5.572 343 HZ PHE 41 HZ PHE 41 14.138 37.019 4.438 344 H ASN 42 H ASN 42 19.380 31.939 1.832 345 HA ASN 42 HA ASN 42 18.992 29.196 1.435 346 HB2 ASN 42 HB2 ASN 42 19.782 28.708 -0.654 347 HB3 ASN 42 HB3 ASN 42 19.114 30.301 -0.996 348 HD21 ASN 42 HD21 ASN 42 20.859 32.056 -0.166 349 H ARG 43 H ARG 43 20.869 27.947 1.911 350 HA ARG 43 HA ARG 43 22.765 29.384 3.554 351 HB2 ARG 43 HB2 ARG 43 21.620 27.039 3.956 352 HB3 ARG 43 HB3 ARG 43 22.990 26.453 3.021 353 HG2 ARG 43 HG2 ARG 43 24.227 28.075 4.812 354 HG3 ARG 43 HG3 ARG 43 22.871 27.468 5.765 355 HD2 ARG 43 HD2 ARG 43 23.553 25.153 4.906 356 HD3 ARG 43 HD3 ARG 43 25.063 25.920 4.418 357 HE ARG 43 HE ARG 43 25.692 26.027 6.623 358 HH11 ARG 43 HH11 ARG 43 22.307 25.241 6.414 359 HH12 ARG 43 HH12 ARG 43 22.152 24.878 8.101 360 HH21 ARG 43 HH21 ARG 43 25.502 25.551 8.846 361 HH22 ARG 43 HH22 ARG 43 23.970 25.055 9.483 362 H SER 44 H SER 44 23.991 30.552 2.049 363 HA SER 44 HA SER 44 26.134 29.026 0.840 364 HB2 SER 44 HB2 SER 44 24.202 29.258 -0.864 365 HB3 SER 44 HB3 SER 44 24.665 30.958 -0.945 366 HG SER 44 HG SER 44 26.455 28.799 -1.373 367 H LYS 45 H LYS 45 25.658 31.099 2.940 368 HA LYS 45 HA LYS 45 26.981 33.466 1.929 369 HB2 LYS 45 HB2 LYS 45 26.320 32.772 4.794 370 HB3 LYS 45 HB3 LYS 45 26.693 34.365 4.148 371 HG2 LYS 45 HG2 LYS 45 24.580 34.721 3.571 372 HG3 LYS 45 HG3 LYS 45 24.458 33.153 2.769 373 HD2 LYS 45 HD2 LYS 45 24.476 33.157 5.733 374 HD3 LYS 45 HD3 LYS 45 23.030 33.785 4.939 375 HE2 LYS 45 HE2 LYS 45 22.496 31.561 5.105 376 HE3 LYS 45 HE3 LYS 45 23.246 31.598 3.511 377 HZ1 LYS 45 HZ1 LYS 45 24.033 30.149 5.800 378 HZ2 LYS 45 HZ2 LYS 45 25.285 31.189 5.342 379 HZ3 LYS 45 HZ3 LYS 45 24.662 30.077 4.231 380 H ALA 46 H ALA 46 27.813 30.554 3.637 381 HA ALA 46 HA ALA 46 30.554 30.789 3.147 382 HB1 ALA 46 HB1 ALA 46 31.106 31.001 5.733 383 HB2 ALA 46 HB2 ALA 46 30.982 32.412 4.683 384 HB3 ALA 46 HB3 ALA 46 29.623 31.957 5.710 385 H LEU 47 H LEU 47 27.989 29.488 5.143 386 HA LEU 47 HA LEU 47 27.536 27.377 5.858 387 HB2 LEU 47 HB2 LEU 47 29.840 26.361 4.236 388 HB3 LEU 47 HB3 LEU 47 28.329 25.548 4.639 389 HG LEU 47 HG LEU 47 27.616 27.797 3.114 390 HD11 LEU 47 HD11 LEU 47 30.115 26.468 2.151 391 HD12 LEU 47 HD12 LEU 47 29.689 28.179 2.164 392 HD13 LEU 47 HD13 LEU 47 28.934 27.091 0.999 393 HD21 LEU 47 HD21 LEU 47 26.645 25.446 3.267 394 HD22 LEU 47 HD22 LEU 47 27.869 24.986 2.082 395 HD23 LEU 47 HD23 LEU 47 26.662 26.207 1.675 396 H PHE 48 H PHE 48 29.020 25.237 6.580 397 HA PHE 48 HA PHE 48 30.892 26.368 8.554 398 HB2 PHE 48 HB2 PHE 48 30.337 24.335 9.922 399 HB3 PHE 48 HB3 PHE 48 28.987 25.438 9.677 400 HD1 PHE 48 HD1 PHE 48 27.175 24.850 8.119 401 HD2 PHE 48 HD2 PHE 48 30.300 22.119 9.064 402 HE1 PHE 48 HE1 PHE 48 25.820 22.996 7.233 403 HE2 PHE 48 HE2 PHE 48 28.951 20.263 8.178 404 HZ PHE 48 HZ PHE 48 26.709 20.699 7.260 405 H SER 49 H SER 49 32.952 25.793 8.394 406 HA SER 49 HA SER 49 33.634 23.216 7.167 407 HB2 SER 49 HB2 SER 49 33.885 24.852 5.386 408 HB3 SER 49 HB3 SER 49 34.861 25.884 6.429 409 HG SER 49 HG SER 49 36.037 24.485 4.922 410 H GLN 50 H GLN 50 34.268 22.326 9.096 411 HA GLN 50 HA GLN 50 35.677 21.798 10.802 412 HB2 GLN 50 HB2 GLN 50 37.369 22.227 8.939 413 HB3 GLN 50 HB3 GLN 50 37.620 23.804 9.674 414 HG2 GLN 50 HG2 GLN 50 38.130 22.554 11.823 415 HG3 GLN 50 HG3 GLN 50 38.206 21.100 10.829 416 HE21 GLN 50 HE21 GLN 50 40.040 23.368 12.235 417 HE22 GLN 50 HE22 GLN 50 41.406 23.365 11.178 418 H SER 51 H SER 51 33.867 23.172 11.854 419 HA SER 51 HA SER 51 33.275 24.568 13.550 420 HB2 SER 51 HB2 SER 51 36.147 24.121 13.937 421 HB3 SER 51 HB3 SER 51 35.573 25.637 14.632 422 HG SER 51 HG SER 51 34.021 24.456 15.788 423 H ALA 52 H ALA 52 32.349 26.059 12.097 424 HA ALA 52 HA ALA 52 33.985 28.321 11.241 425 HB1 ALA 52 HB1 ALA 52 31.151 27.527 10.598 426 HB2 ALA 52 HB2 ALA 52 31.919 29.002 10.012 427 HB3 ALA 52 HB3 ALA 52 32.561 27.427 9.544 428 H ILE 53 H ILE 53 30.826 27.872 12.846 429 HA ILE 53 HA ILE 53 31.395 30.301 14.414 430 HB ILE 53 HB ILE 53 28.795 30.487 14.464 431 HG12 ILE 53 HG12 ILE 53 28.985 29.324 11.716 432 HG13 ILE 53 HG13 ILE 53 28.777 28.234 13.083 433 HG21 ILE 53 HG21 ILE 53 28.988 32.214 13.005 434 HG22 ILE 53 HG22 ILE 53 30.702 31.862 13.215 435 HG23 ILE 53 HG23 ILE 53 29.843 31.250 11.803 436 HD11 ILE 53 HD11 ILE 53 26.943 30.509 13.075 437 HD12 ILE 53 HD12 ILE 53 26.761 29.411 11.706 438 HD13 ILE 53 HD13 ILE 53 26.635 28.796 13.355 439 H SER 54 H SER 54 30.926 27.038 14.523 440 HA SER 54 HA SER 54 30.606 25.554 16.218 441 HB2 SER 54 HB2 SER 54 31.844 27.652 17.424 442 HB3 SER 54 HB3 SER 54 30.346 27.580 18.353 443 HG SER 54 HG SER 54 32.236 26.223 19.034 444 H GLN 55 H GLN 55 28.778 24.507 16.627 445 HA GLN 55 HA GLN 55 26.255 25.421 16.158 446 HB2 GLN 55 HB2 GLN 55 25.625 23.586 17.974 447 HB3 GLN 55 HB3 GLN 55 26.259 23.149 16.393 448 HG2 GLN 55 HG2 GLN 55 28.309 23.622 18.425 449 HG3 GLN 55 HG3 GLN 55 27.234 22.269 18.770 450 HE21 GLN 55 HE21 GLN 55 27.064 20.585 17.190 451 HE22 GLN 55 HE22 GLN 55 28.383 20.260 16.124 452 H LYS 56 H LYS 56 27.431 24.881 19.481 453 HA LYS 56 HA LYS 56 26.674 25.759 21.464 454 HB2 LYS 56 HB2 LYS 56 26.925 28.388 20.014 455 HB3 LYS 56 HB3 LYS 56 27.216 28.058 21.717 456 HG2 LYS 56 HG2 LYS 56 28.877 26.899 19.494 457 HG3 LYS 56 HG3 LYS 56 29.267 28.405 20.330 458 HD2 LYS 56 HD2 LYS 56 30.349 27.175 21.840 459 HD3 LYS 56 HD3 LYS 56 28.779 26.563 22.363 460 HE2 LYS 56 HE2 LYS 56 29.245 25.000 20.201 461 HE3 LYS 56 HE3 LYS 56 30.890 25.267 20.774 462 HZ1 LYS 56 HZ1 LYS 56 30.287 24.416 22.918 463 HZ2 LYS 56 HZ2 LYS 56 29.834 23.286 21.744 464 HZ3 LYS 56 HZ3 LYS 56 28.663 24.270 22.465 465 H GLU 57 H GLU 57 25.329 28.317 21.799 466 HA GLU 57 HA GLU 57 22.650 27.418 21.713 467 HB2 GLU 57 HB2 GLU 57 23.583 30.271 22.052 468 HB3 GLU 57 HB3 GLU 57 22.061 29.579 22.594 469 HG2 GLU 57 HG2 GLU 57 23.420 28.060 24.079 470 HG3 GLU 57 HG3 GLU 57 24.814 29.059 23.673 471 H TYR 58 H TYR 58 24.614 28.699 19.315 472 HA TYR 58 HA TYR 58 22.853 30.320 17.855 473 HB2 TYR 58 HB2 TYR 58 25.443 29.117 17.460 474 HB3 TYR 58 HB3 TYR 58 24.480 28.973 15.993 475 HD1 TYR 58 HD2 TYR 58 24.213 31.744 18.423 476 HD2 TYR 58 HD1 TYR 58 25.698 30.498 14.635 477 HE1 TYR 58 HE2 TYR 58 24.726 34.083 17.861 478 HE2 TYR 58 HE1 TYR 58 26.216 32.834 14.062 479 HH TYR 58 HH TYR 58 25.359 35.491 16.239 480 H ASP 59 H ASP 59 21.075 29.868 16.746 481 HA ASP 59 HA ASP 59 20.559 27.061 16.014 482 HB2 ASP 59 HB2 ASP 59 18.462 29.196 16.413 483 HB3 ASP 59 HB3 ASP 59 18.223 27.455 16.298 484 H SER 60 H SER 60 18.476 27.350 14.294 485 HA SER 60 HA SER 60 19.815 28.450 11.958 486 HB2 SER 60 HB2 SER 60 17.267 27.323 11.311 487 HB3 SER 60 HB3 SER 60 18.872 26.705 10.920 488 HG SER 60 HG SER 60 17.219 25.507 12.415 489 H SER 61 H SER 61 17.324 29.285 14.138 490 HA SER 61 HA SER 61 15.602 30.784 12.531 491 HB2 SER 61 HB2 SER 61 15.731 30.198 15.197 492 HB3 SER 61 HB3 SER 61 16.127 31.916 15.200 493 HG SER 61 HG SER 61 14.122 32.341 14.762 494 H LEU 62 H LEU 62 18.768 31.517 13.789 495 HA LEU 62 HA LEU 62 18.575 34.314 13.001 496 HB2 LEU 62 HB2 LEU 62 20.614 34.650 14.108 497 HB3 LEU 62 HB3 LEU 62 19.711 33.521 15.116 498 HG LEU 62 HG LEU 62 21.254 31.904 13.453 499 HD11 LEU 62 HD11 LEU 62 22.453 34.199 13.061 500 HD12 LEU 62 HD12 LEU 62 23.388 32.728 13.321 501 HD13 LEU 62 HD13 LEU 62 23.151 33.866 14.646 502 HD21 LEU 62 HD21 LEU 62 20.672 31.566 15.831 503 HD22 LEU 62 HD22 LEU 62 21.851 32.802 16.270 504 HD23 LEU 62 HD23 LEU 62 22.384 31.306 15.498 505 H ALA 63 H ALA 63 18.910 31.636 11.305 506 HA ALA 63 HA ALA 63 20.865 32.829 9.448 507 HB1 ALA 63 HB1 ALA 63 21.998 30.910 9.226 508 HB2 ALA 63 HB2 ALA 63 21.248 30.473 10.763 509 HB3 ALA 63 HB3 ALA 63 20.532 29.928 9.246 510 H THR 64 H THR 64 20.519 32.311 7.183 511 HA THR 64 HA THR 64 17.688 32.328 6.536 512 HB THR 64 HB THR 64 19.256 32.366 4.168 513 HG1 THR 64 HG1 THR 64 20.506 34.321 4.799 514 HG21 THR 64 HG21 THR 64 18.383 34.965 5.144 515 HG22 THR 64 HG22 THR 64 17.129 33.733 5.286 516 HG23 THR 64 HG23 THR 64 17.869 34.063 3.719 517 H LEU 65 H LEU 65 16.959 30.239 6.785 518 HA LEU 65 HA LEU 65 17.400 28.458 4.621 519 HB2 LEU 65 HB2 LEU 65 18.085 26.623 6.477 520 HB3 LEU 65 HB3 LEU 65 19.235 27.464 5.438 521 HG LEU 65 HG LEU 65 19.669 29.073 7.246 522 HD11 LEU 65 HD11 LEU 65 18.742 28.877 9.395 523 HD12 LEU 65 HD12 LEU 65 18.052 27.293 9.044 524 HD13 LEU 65 HD13 LEU 65 17.375 28.735 8.288 525 HD21 LEU 65 HD21 LEU 65 20.693 26.608 6.966 526 HD22 LEU 65 HD22 LEU 65 20.053 26.480 8.606 527 HD23 LEU 65 HD23 LEU 65 21.221 27.743 8.210 528 H ASP 66 H ASP 66 15.128 28.716 4.573 529 HA ASP 66 HA ASP 66 13.361 28.222 6.663 530 HB2 ASP 66 HB2 ASP 66 13.146 28.829 3.957 531 HB3 ASP 66 HB3 ASP 66 12.343 27.268 4.108 532 H HIS 67 H HIS 67 11.706 26.312 6.502 533 HA HIS 67 HA HIS 67 13.079 23.774 6.009 534 HB2 HIS 67 HB2 HIS 67 11.522 24.063 8.548 535 HB3 HIS 67 HB3 HIS 67 12.820 22.940 8.156 536 HD1 HIS 67 HD1 HIS 67 12.186 25.852 10.105 537 HD2 HIS 67 HD2 HIS 67 15.416 24.462 7.894 538 HE1 HIS 67 HE1 HIS 67 14.183 27.118 10.964 539 H THR 68 H THR 68 11.707 22.013 5.627 540 HA THR 68 HA THR 68 8.860 22.700 5.286 541 HB THR 68 HB THR 68 10.620 21.078 3.442 542 HG1 THR 68 HG1 THR 68 10.309 22.733 2.062 543 HG21 THR 68 HG21 THR 68 7.620 21.402 3.468 544 HG22 THR 68 HG22 THR 68 8.537 19.901 3.598 545 HG23 THR 68 HG23 THR 68 8.533 20.804 2.084 546 H GLU 69 H GLU 69 8.004 21.685 7.034 547 HA GLU 69 HA GLU 69 8.867 19.169 8.010 548 HB2 GLU 69 HB2 GLU 69 6.832 19.236 9.392 549 HB3 GLU 69 HB3 GLU 69 7.716 20.755 9.451 550 HG2 GLU 69 HG2 GLU 69 5.911 21.062 7.357 551 HG3 GLU 69 HG3 GLU 69 5.009 20.230 8.622 552 H ILE 70 H ILE 70 8.516 17.220 7.198 553 HA ILE 70 HA ILE 70 6.618 16.853 5.046 554 HB ILE 70 HB ILE 70 8.522 14.903 6.347 555 HG12 ILE 70 HG12 ILE 70 9.498 15.188 3.897 556 HG13 ILE 70 HG13 ILE 70 8.678 16.742 3.999 557 HG21 ILE 70 HG21 ILE 70 8.040 13.635 4.148 558 HG22 ILE 70 HG22 ILE 70 6.872 13.532 5.464 559 HG23 ILE 70 HG23 ILE 70 6.569 14.606 4.099 560 HD11 ILE 70 HD11 ILE 70 9.974 17.369 5.905 561 HD12 ILE 70 HD12 ILE 70 10.685 15.758 6.009 562 HD13 ILE 70 HD13 ILE 70 11.069 16.804 4.643 563 H LYS 71 H LYS 71 4.704 15.823 5.142 564 HA LYS 71 HA LYS 71 3.936 14.601 7.712 565 HB2 LYS 71 HB2 LYS 71 1.589 15.353 7.138 566 HB3 LYS 71 HB3 LYS 71 2.717 16.633 7.567 567 HG2 LYS 71 HG2 LYS 71 2.913 16.341 4.789 568 HG3 LYS 71 HG3 LYS 71 1.190 16.280 5.168 569 HD2 LYS 71 HD2 LYS 71 1.338 18.525 5.117 570 HD3 LYS 71 HD3 LYS 71 2.000 18.338 6.743 571 HE2 LYS 71 HE2 LYS 71 3.898 19.268 6.063 572 HE3 LYS 71 HE3 LYS 71 4.123 17.949 4.915 573 HZ1 LYS 71 HZ1 LYS 71 3.665 20.609 4.334 574 HZ2 LYS 71 HZ2 LYS 71 2.230 19.810 3.928 575 HZ3 LYS 71 HZ3 LYS 71 3.696 19.317 3.243 576 H ALA 72 H ALA 72 1.879 13.197 7.380 577 HA ALA 72 HA ALA 72 2.577 11.115 5.570 578 HB1 ALA 72 HB1 ALA 72 0.715 11.501 7.747 579 HB2 ALA 72 HB2 ALA 72 -0.021 10.613 6.411 580 HB3 ALA 72 HB3 ALA 72 1.465 10.019 7.153 581 HA PRO 73 HA PRO 73 0.456 12.540 1.967 582 HB2 PRO 73 HB2 PRO 73 0.430 10.192 0.603 583 HB3 PRO 73 HB3 PRO 73 1.884 11.182 0.786 584 HG2 PRO 73 HG2 PRO 73 1.044 8.749 2.315 585 HG3 PRO 73 HG3 PRO 73 2.645 9.175 1.682 586 HD2 PRO 73 HD2 PRO 73 1.969 9.516 4.281 587 HD3 PRO 73 HD3 PRO 73 3.103 10.593 3.440 588 H PHE 74 H PHE 74 -0.588 9.549 3.560 589 HA PHE 74 HA PHE 74 -3.347 10.379 3.373 590 HB2 PHE 74 HB2 PHE 74 -3.718 7.854 2.451 591 HB3 PHE 74 HB3 PHE 74 -3.670 9.280 1.419 592 HD1 PHE 74 HD1 PHE 74 -1.333 6.814 2.961 593 HD2 PHE 74 HD2 PHE 74 -2.287 9.232 -0.409 594 HE1 PHE 74 HE1 PHE 74 0.576 5.857 1.739 595 HE2 PHE 74 HE2 PHE 74 -0.381 8.276 -1.638 596 HZ PHE 74 HZ PHE 74 1.053 6.586 -0.564 597 H ASP 75 H ASP 75 -0.966 9.256 5.140 598 HA ASP 75 HA ASP 75 -0.912 8.364 7.246 599 HB2 ASP 75 HB2 ASP 75 -2.805 8.634 8.401 600 HB3 ASP 75 HB3 ASP 75 -3.646 8.943 6.883 601 H GLY 76 H GLY 76 -1.170 6.200 8.355 602 HA2 GLY 76 HA2 GLY 76 -1.974 3.831 7.536 603 HA3 GLY 76 HA3 GLY 76 -0.706 4.117 6.353 604 H THR 77 H THR 77 0.191 2.126 7.289 605 HA THR 77 HA THR 77 1.364 2.402 9.944 606 HB THR 77 HB THR 77 1.384 0.076 8.011 607 HG1 THR 77 HG1 THR 77 -0.179 -0.758 9.347 608 HG21 THR 77 HG21 THR 77 2.020 -0.993 10.409 609 HG22 THR 77 HG22 THR 77 2.822 0.572 10.539 610 HG23 THR 77 HG23 THR 77 3.214 -0.511 9.205 611 H ILE 78 H ILE 78 3.202 3.521 10.048 612 HA ILE 78 HA ILE 78 5.023 3.676 7.821 613 HB ILE 78 HB ILE 78 4.566 5.572 9.427 614 HG12 ILE 78 HG12 ILE 78 7.495 5.146 9.524 615 HG13 ILE 78 HG13 ILE 78 6.750 5.016 7.934 616 HG21 ILE 78 HG21 ILE 78 5.690 5.623 11.543 617 HG22 ILE 78 HG22 ILE 78 4.707 4.161 11.472 618 HG23 ILE 78 HG23 ILE 78 6.452 4.063 11.228 619 HD11 ILE 78 HD11 ILE 78 7.662 7.295 8.760 620 HD12 ILE 78 HD12 ILE 78 6.120 7.227 7.906 621 HD13 ILE 78 HD13 ILE 78 6.148 7.367 9.664 622 H GLY 79 H GLY 79 7.074 2.819 7.666 623 HA2 GLY 79 HA2 GLY 79 7.542 0.452 9.298 624 HA3 GLY 79 HA3 GLY 79 8.408 0.899 7.836 625 H ASP 80 H ASP 80 10.424 0.522 8.781 626 HA ASP 80 HA ASP 80 11.173 2.031 11.146 627 HB2 ASP 80 HB2 ASP 80 12.269 -0.238 9.633 628 HB3 ASP 80 HB3 ASP 80 13.487 0.877 10.245 629 H ALA 81 H ALA 81 13.073 3.411 11.173 630 HA ALA 81 HA ALA 81 13.066 5.236 8.949 631 HB1 ALA 81 HB1 ALA 81 13.801 5.321 11.712 632 HB2 ALA 81 HB2 ALA 81 15.132 5.929 10.728 633 HB3 ALA 81 HB3 ALA 81 13.530 6.654 10.589 634 H LEU 82 H LEU 82 14.238 4.911 7.184 635 HA LEU 82 HA LEU 82 16.598 3.216 7.271 636 HB2 LEU 82 HB2 LEU 82 15.792 2.646 5.284 637 HB3 LEU 82 HB3 LEU 82 14.656 3.995 5.298 638 HG LEU 82 HG LEU 82 16.595 5.426 4.469 639 HD11 LEU 82 HD11 LEU 82 17.821 2.985 3.351 640 HD12 LEU 82 HD12 LEU 82 18.146 3.321 5.052 641 HD13 LEU 82 HD13 LEU 82 18.558 4.516 3.823 642 HD21 LEU 82 HD21 LEU 82 14.710 4.690 3.072 643 HD22 LEU 82 HD22 LEU 82 15.592 3.214 2.680 644 HD23 LEU 82 HD23 LEU 82 16.219 4.780 2.163 645 H VAL 83 H VAL 83 15.750 6.584 6.863 646 HA VAL 83 HA VAL 83 18.580 7.258 6.434 647 HB VAL 83 HB VAL 83 17.729 9.525 5.823 648 HG11 VAL 83 HG11 VAL 83 16.484 7.350 4.153 649 HG12 VAL 83 HG12 VAL 83 17.076 8.924 3.615 650 HG13 VAL 83 HG13 VAL 83 18.213 7.697 4.171 651 HG21 VAL 83 HG21 VAL 83 15.575 9.251 7.100 652 HG22 VAL 83 HG22 VAL 83 15.415 9.932 5.480 653 HG23 VAL 83 HG23 VAL 83 15.007 8.241 5.770 654 H ASN 84 H ASN 84 19.204 9.427 7.462 655 HA ASN 84 HA ASN 84 18.065 9.641 10.167 656 HB2 ASN 84 HB2 ASN 84 20.983 9.537 9.389 657 HB3 ASN 84 HB3 ASN 84 20.427 10.109 10.959 658 HD21 ASN 84 HD21 ASN 84 20.306 7.344 8.771 659 HD22 ASN 84 HD22 ASN 84 20.201 6.143 10.009 660 H ILE 85 H ILE 85 19.406 11.707 11.190 661 HA ILE 85 HA ILE 85 18.373 13.933 9.699 662 HB ILE 85 HB ILE 85 20.126 14.179 12.127 663 HG12 ILE 85 HG12 ILE 85 18.511 12.484 12.719 664 HG13 ILE 85 HG13 ILE 85 18.039 13.996 13.487 665 HG21 ILE 85 HG21 ILE 85 19.619 16.279 11.228 666 HG22 ILE 85 HG22 ILE 85 17.957 15.820 10.862 667 HG23 ILE 85 HG23 ILE 85 18.454 16.069 12.535 668 HD11 ILE 85 HD11 ILE 85 16.769 12.571 11.191 669 HD12 ILE 85 HD12 ILE 85 16.042 13.159 12.687 670 HD13 ILE 85 HD13 ILE 85 16.519 14.301 11.431 671 H GLY 86 H GLY 86 19.652 15.861 9.192 672 HA2 GLY 86 HA2 GLY 86 21.419 16.920 8.178 673 HA3 GLY 86 HA3 GLY 86 22.472 15.837 9.077 674 H ASP 87 H ASP 87 20.127 14.347 7.072 675 HA ASP 87 HA ASP 87 22.255 13.500 5.249 676 HB2 ASP 87 HB2 ASP 87 19.956 12.217 6.414 677 HB3 ASP 87 HB3 ASP 87 19.872 12.114 4.658 678 H TYR 88 H TYR 88 22.445 14.472 3.353 679 HA TYR 88 HA TYR 88 20.494 16.285 2.355 680 HB2 TYR 88 HB2 TYR 88 22.789 16.737 1.867 681 HB3 TYR 88 HB3 TYR 88 23.021 15.144 1.158 682 HD1 TYR 88 HD1 TYR 88 21.330 18.404 0.662 683 HD2 TYR 88 HD2 TYR 88 22.593 14.759 -1.132 684 HE1 TYR 88 HE1 TYR 88 20.807 19.323 -1.558 685 HE2 TYR 88 HE2 TYR 88 22.074 15.667 -3.357 686 HH TYR 88 HH TYR 88 20.332 17.629 -4.183 687 H VAL 89 H VAL 89 18.598 15.548 1.636 688 HA VAL 89 HA VAL 89 18.475 13.064 0.107 689 HB VAL 89 HB VAL 89 15.976 13.481 0.206 690 HG11 VAL 89 HG11 VAL 89 16.736 13.387 3.021 691 HG12 VAL 89 HG12 VAL 89 15.938 12.171 2.020 692 HG13 VAL 89 HG13 VAL 89 17.696 12.316 2.000 693 HG21 VAL 89 HG21 VAL 89 15.085 15.262 1.259 694 HG22 VAL 89 HG22 VAL 89 16.342 15.294 2.495 695 HG23 VAL 89 HG23 VAL 89 16.645 16.004 0.909 696 H SER 90 H SER 90 17.512 12.929 -1.955 697 HA SER 90 HA SER 90 17.502 15.473 -3.444 698 HB2 SER 90 HB2 SER 90 18.902 12.988 -3.932 699 HB3 SER 90 HB3 SER 90 17.854 13.391 -5.292 700 HG SER 90 HG SER 90 19.724 14.454 -5.686 701 H ALA 91 H ALA 91 15.243 15.690 -2.945 702 HA ALA 91 HA ALA 91 12.998 15.400 -3.273 703 HB1 ALA 91 HB1 ALA 91 13.981 16.104 -5.540 704 HB2 ALA 91 HB2 ALA 91 13.701 14.430 -6.022 705 HB3 ALA 91 HB3 ALA 91 12.347 15.440 -5.511 706 H SER 92 H SER 92 11.726 13.563 -5.115 707 HA SER 92 HA SER 92 11.233 11.412 -3.421 708 HB2 SER 92 HB2 SER 92 9.544 11.692 -4.968 709 HB3 SER 92 HB3 SER 92 10.666 11.983 -6.298 710 HG SER 92 HG SER 92 9.604 9.925 -6.404 711 H THR 93 H THR 93 13.819 11.936 -5.605 712 HA THR 93 HA THR 93 14.543 9.337 -6.307 713 HB THR 93 HB THR 93 16.672 11.339 -5.667 714 HG1 THR 93 HG1 THR 93 14.969 11.514 -7.945 715 HG21 THR 93 HG21 THR 93 16.513 8.926 -7.100 716 HG22 THR 93 HG22 THR 93 17.885 10.030 -7.003 717 HG23 THR 93 HG23 THR 93 16.707 10.199 -8.304 718 H THR 94 H THR 94 14.978 11.094 -3.322 719 HA THR 94 HA THR 94 16.609 8.914 -2.225 720 HB THR 94 HB THR 94 16.071 11.711 -1.225 721 HG1 THR 94 HG1 THR 94 18.569 11.418 -1.309 722 HG21 THR 94 HG21 THR 94 17.213 9.332 0.181 723 HG22 THR 94 HG22 THR 94 16.142 10.593 0.795 724 HG23 THR 94 HG23 THR 94 17.851 10.938 0.532 725 H GLU 95 H GLU 95 15.380 7.312 -1.451 726 HA GLU 95 HA GLU 95 12.799 7.843 -0.253 727 HB2 GLU 95 HB2 GLU 95 14.095 5.151 -0.177 728 HB3 GLU 95 HB3 GLU 95 12.400 5.569 -0.389 729 HG2 GLU 95 HG2 GLU 95 13.301 6.606 -2.641 730 HG3 GLU 95 HG3 GLU 95 14.586 5.426 -2.389 731 H LEU 96 H LEU 96 12.385 8.032 1.854 732 HA LEU 96 HA LEU 96 14.592 7.596 3.737 733 HB2 LEU 96 HB2 LEU 96 12.843 8.876 5.248 734 HB3 LEU 96 HB3 LEU 96 13.932 9.725 4.152 735 HG LEU 96 HG LEU 96 11.284 8.974 3.066 736 HD11 LEU 96 HD11 LEU 96 9.991 10.260 4.367 737 HD12 LEU 96 HD12 LEU 96 11.240 11.488 4.572 738 HD13 LEU 96 HD13 LEU 96 11.262 10.033 5.569 739 HD21 LEU 96 HD21 LEU 96 13.346 10.436 2.149 740 HD22 LEU 96 HD22 LEU 96 12.386 11.706 2.906 741 HD23 LEU 96 HD23 LEU 96 11.673 10.691 1.652 742 H VAL 97 H VAL 97 11.055 7.156 3.587 743 HA VAL 97 HA VAL 97 11.297 4.531 4.775 744 HB VAL 97 HB VAL 97 10.039 6.823 6.259 745 HG11 VAL 97 HG11 VAL 97 9.409 3.890 6.500 746 HG12 VAL 97 HG12 VAL 97 9.088 5.053 7.787 747 HG13 VAL 97 HG13 VAL 97 8.290 5.224 6.223 748 HG21 VAL 97 HG21 VAL 97 12.165 6.534 7.085 749 HG22 VAL 97 HG22 VAL 97 11.249 5.458 8.142 750 HG23 VAL 97 HG23 VAL 97 12.163 4.795 6.787 751 H ARG 98 H ARG 98 9.562 3.220 4.338 752 HA ARG 98 HA ARG 98 7.541 4.365 2.545 753 HB2 ARG 98 HB2 ARG 98 7.222 2.156 1.675 754 HB3 ARG 98 HB3 ARG 98 8.954 2.458 1.746 755 HG2 ARG 98 HG2 ARG 98 7.656 1.097 4.048 756 HG3 ARG 98 HG3 ARG 98 7.924 0.185 2.562 757 HD2 ARG 98 HD2 ARG 98 10.333 1.335 2.821 758 HD3 ARG 98 HD3 ARG 98 9.866 1.254 4.520 759 HE ARG 98 HE ARG 98 10.120 -1.022 4.449 760 HH11 ARG 98 HH11 ARG 98 10.047 0.230 1.200 761 HH12 ARG 98 HH12 ARG 98 10.498 -1.276 0.471 762 HH21 ARG 98 HH21 ARG 98 10.714 -3.009 3.500 763 HH22 ARG 98 HH22 ARG 98 10.876 -3.118 1.780 764 H VAL 99 H VAL 99 5.324 3.688 2.736 765 HA VAL 99 HA VAL 99 4.586 2.933 5.490 766 HB VAL 99 HB VAL 99 3.205 4.849 3.612 767 HG11 VAL 99 HG11 VAL 99 2.130 3.227 5.781 768 HG12 VAL 99 HG12 VAL 99 1.846 4.956 6.000 769 HG13 VAL 99 HG13 VAL 99 1.293 4.148 4.532 770 HG21 VAL 99 HG21 VAL 99 4.234 5.284 6.411 771 HG22 VAL 99 HG22 VAL 99 5.150 5.673 4.954 772 HG23 VAL 99 HG23 VAL 99 3.629 6.502 5.288 773 H THR 100 H THR 100 3.244 1.251 5.746 774 HA THR 100 HA THR 100 2.234 -0.060 3.323 775 HB THR 100 HB THR 100 2.091 -2.096 4.595 776 HG1 THR 100 HG1 THR 100 2.777 -2.023 6.859 777 HG21 THR 100 HG21 THR 100 4.340 -1.325 3.749 778 HG22 THR 100 HG22 THR 100 4.391 -2.496 5.067 779 HG23 THR 100 HG23 THR 100 4.688 -0.788 5.392 780 H ASN 101 H ASN 101 0.143 -1.341 3.714 781 HA ASN 101 HA ASN 101 -2.087 -1.387 4.171 782 HB2 ASN 101 HB2 ASN 101 -1.112 -1.018 6.573 783 HB3 ASN 101 HB3 ASN 101 -1.749 0.613 6.380 784 HD21 ASN 101 HD21 ASN 101 -3.672 0.872 7.224 785 HD22 ASN 101 HD22 ASN 101 -4.915 -0.325 7.331 786 H LEU 102 H LEU 102 -2.549 -0.346 2.208 787 HA LEU 102 HA LEU 102 -4.049 2.030 2.421 788 HB2 LEU 102 HB2 LEU 102 -1.502 2.720 2.433 789 HB3 LEU 102 HB3 LEU 102 -1.669 2.496 0.692 790 HG LEU 102 HG LEU 102 -1.950 4.817 1.188 791 HD11 LEU 102 HD11 LEU 102 -4.202 5.216 0.326 792 HD12 LEU 102 HD12 LEU 102 -4.631 3.539 0.662 793 HD13 LEU 102 HD13 LEU 102 -3.400 3.909 -0.546 794 HD21 LEU 102 HD21 LEU 102 -3.989 3.891 3.203 795 HD22 LEU 102 HD22 LEU 102 -3.825 5.565 2.670 796 HD23 LEU 102 HD23 LEU 102 -2.491 4.771 3.509 797 H ASN 103 H ASN 103 -1.917 0.624 -0.076 798 HA ASN 103 HA ASN 103 -4.283 0.364 -1.809 799 HB2 ASN 103 HB2 ASN 103 -1.358 0.742 -2.438 800 HB3 ASN 103 HB3 ASN 103 -2.508 0.191 -3.653 801 HD21 ASN 103 HD21 ASN 103 -0.910 2.660 -3.447 802 HD22 ASN 103 HD22 ASN 103 -2.050 3.955 -3.557 803 HA PRO 104 HA PRO 104 -3.988 -4.015 -1.818 804 HB2 PRO 104 HB2 PRO 104 -4.747 -4.599 -4.359 805 HB3 PRO 104 HB3 PRO 104 -5.877 -4.024 -3.127 806 HG2 PRO 104 HG2 PRO 104 -4.524 -2.497 -5.318 807 HG3 PRO 104 HG3 PRO 104 -6.208 -2.409 -4.766 808 HD2 PRO 104 HD2 PRO 104 -4.339 -0.589 -4.040 809 HD3 PRO 104 HD3 PRO 104 -5.681 -1.055 -2.977 810 H ILE 105 H ILE 105 -3.114 -5.889 -3.228 811 HA ILE 105 HA ILE 105 -0.713 -5.141 -4.719 812 HB ILE 105 HB ILE 105 -0.632 -7.110 -2.430 813 HG12 ILE 105 HG12 ILE 105 -0.799 -4.706 -1.735 814 HG13 ILE 105 HG13 ILE 105 0.690 -5.498 -1.232 815 HG21 ILE 105 HG21 ILE 105 0.965 -7.896 -3.880 816 HG22 ILE 105 HG22 ILE 105 1.306 -6.298 -4.541 817 HG23 ILE 105 HG23 ILE 105 1.912 -6.740 -2.945 818 HD11 ILE 105 HD11 ILE 105 1.924 -4.018 -2.320 819 HD12 ILE 105 HD12 ILE 105 0.996 -4.236 -3.804 820 HD13 ILE 105 HD13 ILE 105 0.446 -3.092 -2.581 821 H TYR 106 H TYR 106 -0.047 -6.654 -6.226 822 HA TYR 106 HA TYR 106 -1.141 -9.292 -6.344 823 HB2 TYR 106 HB2 TYR 106 -2.224 -8.815 -8.647 824 HB3 TYR 106 HB3 TYR 106 -3.121 -8.389 -7.194 825 HD1 TYR 106 HD2 TYR 106 -3.422 -6.047 -6.559 826 HD2 TYR 106 HD1 TYR 106 -1.357 -7.109 -10.125 827 HE1 TYR 106 HE2 TYR 106 -3.636 -3.734 -7.365 828 HE2 TYR 106 HE1 TYR 106 -1.564 -4.798 -10.940 829 HH TYR 106 HH TYR 106 -2.915 -2.839 -10.596 830 H ALA 107 H ALA 107 1.405 -8.846 -6.264 831 HA ALA 107 HA ALA 107 2.416 -9.841 -8.714 832 HB1 ALA 107 HB1 ALA 107 3.668 -7.208 -8.160 833 HB2 ALA 107 HB2 ALA 107 3.467 -8.071 -9.686 834 HB3 ALA 107 HB3 ALA 107 2.100 -7.218 -8.968 835 H ASP 108 H ASP 108 4.271 -10.925 -8.360 836 HA ASP 108 HA ASP 108 6.156 -11.700 -7.333 837 HB2 ASP 108 HB2 ASP 108 6.616 -9.173 -7.112 838 HB3 ASP 108 HB3 ASP 108 6.081 -9.358 -5.444 839 H GLY 109 H GLY 109 4.477 -10.051 -4.650 840 HA2 GLY 109 HA2 GLY 109 3.024 -11.962 -3.483 841 HA3 GLY 109 HA3 GLY 109 4.649 -12.488 -3.071 842 H SER 110 H SER 110 4.978 -12.034 -0.997 843 HA SER 110 HA SER 110 3.916 -9.542 0.112 844 HB2 SER 110 HB2 SER 110 5.326 -11.606 1.765 845 HB3 SER 110 HB3 SER 110 4.002 -10.531 2.212 846 HG SER 110 HG SER 110 3.145 -12.559 1.968 847 H HIS 111 H HIS 111 6.946 -11.284 -0.362 848 HA HIS 111 HA HIS 111 9.116 -10.603 -0.352 849 HB2 HIS 111 HB2 HIS 111 8.009 -8.735 -1.757 850 HB3 HIS 111 HB3 HIS 111 8.185 -7.743 -0.312 851 HD1 HIS 111 HD1 HIS 111 10.406 -9.873 -2.554 852 HD2 HIS 111 HD2 HIS 111 10.562 -6.460 -0.191 853 HE1 HIS 111 HE1 HIS 111 12.714 -8.932 -2.884 854 H HIS 112 H HIS 112 9.975 -11.153 1.561 855 HA HIS 112 HA HIS 112 9.418 -9.482 3.905 856 HB2 HIS 112 HB2 HIS 112 10.429 -12.284 3.546 857 HB3 HIS 112 HB3 HIS 112 10.731 -11.424 5.053 858 HD1 HIS 112 HD1 HIS 112 8.712 -10.988 6.595 859 HD2 HIS 112 HD2 HIS 112 7.765 -13.045 3.111 860 HE1 HIS 112 HE1 HIS 112 6.384 -11.871 6.948 861 H HIS 113 H HIS 113 11.216 -8.708 1.692 862 HA HIS 113 HA HIS 113 13.358 -7.976 1.299 863 HB2 HIS 113 HB2 HIS 113 14.175 -6.466 3.066 864 HB3 HIS 113 HB3 HIS 113 12.458 -6.234 2.756 865 HD1 HIS 113 HD1 HIS 113 14.843 -7.497 5.348 866 HD2 HIS 113 HD2 HIS 113 10.762 -6.877 4.878 867 HE1 HIS 113 HE1 HIS 113 13.856 -7.745 7.648 868 H HIS 114 H HIS 114 13.343 -10.709 1.961 869 HA HIS 114 HA HIS 114 15.328 -11.272 3.945 870 HB2 HIS 114 HB2 HIS 114 13.462 -12.762 2.452 871 HB3 HIS 114 HB3 HIS 114 15.046 -13.388 2.007 872 HD1 HIS 114 HD1 HIS 114 13.521 -12.355 5.346 873 HD2 HIS 114 HD2 HIS 114 15.571 -15.508 3.582 874 HE1 HIS 114 HE1 HIS 114 13.841 -14.055 7.172 875 H HIS 115 H HIS 115 15.306 -11.045 0.415 876 HA HIS 115 HA HIS 115 18.246 -10.937 0.489 877 HB2 HIS 115 HB2 HIS 115 17.284 -13.112 -0.439 878 HB3 HIS 115 HB3 HIS 115 16.693 -12.154 -1.793 879 HD1 HIS 115 HD1 HIS 115 20.023 -12.791 -0.057 880 HD2 HIS 115 HD2 HIS 115 18.460 -12.028 -3.831 881 HE1 HIS 115 HE1 HIS 115 21.979 -12.921 -1.634 882 H HIS 116 H HIS 116 16.297 -8.786 0.524 883 HA HIS 116 HA HIS 116 17.432 -7.142 -1.497 884 HB2 HIS 116 HB2 HIS 116 15.779 -8.395 -2.866 885 HB3 HIS 116 HB3 HIS 116 14.495 -7.796 -1.821 886 HD1 HIS 116 HD1 HIS 116 16.705 -6.809 -4.633 887 HD2 HIS 116 HD2 HIS 116 13.895 -5.042 -2.134 888 HE1 HIS 116 HE1 HIS 116 16.148 -4.602 -5.701 889 H2 B6D 117 H2 B6D 117 21.289 34.059 -1.437 890 H1 B6D 117 H1 B6D 117 22.955 31.541 -2.033 891 H3 B6D 117 H3 B6D 117 23.278 33.465 -3.684 892 HN2 B6D 117 HN2 B6D 117 20.955 32.722 -3.972 893 H5 B6D 117 H5 B6D 117 25.097 32.959 -1.833 894 H8 B6D 117 H22 B6D 117 19.008 31.750 -4.611 895 H8A B6D 117 H21 B6D 117 17.595 32.036 -3.568 896 H8B B6D 117 H23 B6D 117 18.569 30.556 -3.365 897 H4 B6D 117 H4 B6D 117 23.377 35.446 -1.356 898 HN4 B6D 117 HN4 B6D 117 24.848 36.474 -2.738 899 H9 B6D 117 H43 B6D 117 26.464 36.795 -4.346 900 H9A B6D 117 H41 B6D 117 27.757 35.923 -3.481 901 H9B B6D 117 H42 B6D 117 27.285 35.408 -5.119 902 H6 B6D 117 H62 B6D 117 25.350 35.249 0.020 903 H6A B6D 117 H63 B6D 117 25.260 33.688 0.859 904 H6B B6D 117 H61 B6D 117 26.518 33.968 -0.356 905 H1 A2G 118 H1 A2G 118 23.512 35.157 -5.316 906 H2 A2G 118 H2 A2G 118 22.250 36.782 -6.725 907 H3 A2G 118 H3 A2G 118 20.372 36.859 -4.313 908 H4 A2G 118 H4 A2G 118 18.681 36.076 -5.869 909 H5 A2G 118 H5 A2G 118 19.901 34.399 -4.800 910 H61 A2G 118 H61 A2G 118 19.180 33.665 -7.577 911 H62 A2G 118 H62 A2G 118 18.571 33.078 -6.023 912 H81 A2G 118 H81 A2G 118 25.645 39.657 -5.467 913 H82 A2G 118 H82 A2G 118 24.896 39.071 -3.960 914 H83 A2G 118 H83 A2G 118 24.186 40.463 -4.815 915 HO3 A2G 118 HO3 A2G 118 19.419 38.314 -6.259 916 HO6 A2G 118 HO6 A2G 118 21.161 32.466 -7.057 917 HN2 A2G 118 HN2 A2G 118 22.856 37.880 -4.041 918 H1 A2G 119 H1 A2G 119 18.000 35.235 -8.018 919 H2 A2G 119 H2 A2G 119 18.147 35.571 -10.485 920 H3 A2G 119 H3 A2G 119 20.849 36.825 -9.785 921 H4 A2G 119 H4 A2G 119 19.943 38.833 -10.804 922 H5 A2G 119 H5 A2G 119 19.520 38.600 -8.522 923 H61 A2G 119 H61 A2G 119 16.807 39.558 -9.406 924 H62 A2G 119 H62 A2G 119 18.288 40.503 -9.612 925 H81 A2G 119 H81 A2G 119 19.509 31.240 -11.309 926 H82 A2G 119 H82 A2G 119 20.002 31.688 -9.656 927 H83 A2G 119 H83 A2G 119 21.105 31.996 -11.021 928 HO3 A2G 119 HO3 A2G 119 19.822 35.829 -12.198 929 HO6 A2G 119 HO6 A2G 119 16.974 39.776 -7.237 930 HN2 A2G 119 HN2 A2G 119 20.270 34.050 -9.134 931 H1 A2G 120 H1 A2G 120 18.326 40.049 -11.957 932 H2 A2G 120 H2 A2G 120 16.448 40.049 -13.596 933 H3 A2G 120 H3 A2G 120 16.213 37.112 -12.774 934 H4 A2G 120 H4 A2G 120 16.632 36.640 -15.117 935 H5 A2G 120 H5 A2G 120 18.537 36.807 -13.782 936 H61 A2G 120 H61 A2G 120 19.716 38.399 -16.001 937 H62 A2G 120 H62 A2G 120 18.903 36.876 -16.382 938 H81 A2G 120 H81 A2G 120 14.078 40.327 -9.900 939 H82 A2G 120 H82 A2G 120 14.034 42.046 -10.366 940 H83 A2G 120 H83 A2G 120 15.197 41.494 -9.135 941 HO6 A2G 120 HO6 A2G 120 21.259 37.303 -14.959 942 HN2 A2G 120 HN2 A2G 120 15.054 38.974 -11.346 943 H1 A2G 121 H1 A2G 121 17.183 37.272 -17.322 944 H2 A2G 121 H2 A2G 121 16.918 38.925 -19.170 945 H3 A2G 121 H3 A2G 121 16.208 40.824 -16.879 946 H4 A2G 121 H4 A2G 121 14.076 41.060 -18.016 947 H5 A2G 121 H5 A2G 121 14.190 39.319 -16.468 948 H61 A2G 121 H61 A2G 121 12.548 37.596 -17.136 949 H62 A2G 121 H62 A2G 121 12.677 38.178 -18.802 950 H81 A2G 121 H81 A2G 121 21.538 39.140 -19.166 951 H82 A2G 121 H82 A2G 121 21.297 38.599 -17.485 952 H83 A2G 121 H83 A2G 121 20.940 40.287 -17.930 953 HO3 A2G 121 HO3 A2G 121 16.980 42.305 -18.104 954 HO6 A2G 121 HO6 A2G 121 10.942 39.107 -17.365 955 HN2 A2G 121 HN2 A2G 121 18.710 40.274 -17.307 956 H1 A2G 122 H1 A2G 122 12.479 40.361 -19.720 957 H2 A2G 122 H2 A2G 122 12.196 39.965 -22.164 958 H3 A2G 122 H3 A2G 122 15.170 39.265 -22.025 959 H4 A2G 122 H4 A2G 122 15.458 41.088 -23.601 960 H5 A2G 122 H5 A2G 122 15.550 41.697 -21.351 961 H61 A2G 122 H61 A2G 122 14.937 44.062 -21.177 962 H62 A2G 122 H62 A2G 122 13.934 43.891 -22.624 963 H81 A2G 122 H81 A2G 122 11.950 35.914 -20.320 964 H82 A2G 122 H82 A2G 122 11.656 35.438 -22.012 965 H83 A2G 122 H83 A2G 122 10.284 35.903 -20.974 966 HO3 A2G 122 HO3 A2G 122 13.195 38.621 -23.888 967 HO6 A2G 122 HO6 A2G 122 15.812 44.519 -23.485 968 HN2 A2G 122 HN2 A2G 122 13.361 37.672 -20.694 969 H2 BGC 123 H2 BGC 123 12.221 37.757 -14.540 970 H3 BGC 123 H3 BGC 123 11.618 34.896 -13.694 971 H4 BGC 123 H4 BGC 123 12.120 35.714 -16.605 972 H5 BGC 123 H5 BGC 123 13.924 34.091 -14.733 973 H6C1 BGC 123 H61 BGC 123 15.551 34.426 -16.782 974 H6C2 BGC 123 H62 BGC 123 14.363 33.112 -16.855 975 H1 BGC 123 H1 BGC 123 14.295 35.979 -13.159 976 HB BGC 123 HO2 BGC 123 12.410 37.979 -12.319 977 HC BGC 123 HO3 BGC 123 9.823 35.386 -15.125 978 HD BGC 123 HO4 BGC 123 11.857 33.160 -15.325 979 H6 BGC 123 HO6 BGC 123 14.476 35.507 -18.288 Start of MODEL 14 1 H1 ASP 1 H ASP 1 1.010 0.310 0.136 2 HA ASP 1 HA ASP 1 3.333 -0.297 0.881 3 HB2 ASP 1 HB2 ASP 1 3.048 -2.411 -0.640 4 HB3 ASP 1 HB3 ASP 1 3.683 -1.356 -1.900 5 H VAL 2 H VAL 2 3.231 1.985 0.864 6 HA VAL 2 HA VAL 2 4.202 3.197 -1.642 7 HB VAL 2 HB VAL 2 2.449 4.555 0.410 8 HG11 VAL 2 HG11 VAL 2 2.240 6.199 -1.571 9 HG12 VAL 2 HG12 VAL 2 3.702 6.241 -0.583 10 HG13 VAL 2 HG13 VAL 2 3.721 5.437 -2.153 11 HG21 VAL 2 HG21 VAL 2 1.815 3.231 -2.205 12 HG22 VAL 2 HG22 VAL 2 1.017 3.042 -0.644 13 HG23 VAL 2 HG23 VAL 2 0.807 4.530 -1.567 14 H ILE 3 H ILE 3 5.769 4.807 -1.468 15 HA ILE 3 HA ILE 3 7.164 4.864 1.120 16 HB ILE 3 HB ILE 3 8.258 5.480 -1.627 17 HG12 ILE 3 HG12 ILE 3 8.480 3.048 0.148 18 HG13 ILE 3 HG13 ILE 3 7.836 3.131 -1.488 19 HG21 ILE 3 HG21 ILE 3 10.422 5.580 -0.569 20 HG22 ILE 3 HG22 ILE 3 9.335 6.723 0.218 21 HG23 ILE 3 HG23 ILE 3 9.713 5.187 0.997 22 HD11 ILE 3 HD11 ILE 3 10.224 3.894 -2.120 23 HD12 ILE 3 HD12 ILE 3 10.672 3.190 -0.567 24 HD13 ILE 3 HD13 ILE 3 9.912 2.188 -1.804 25 H ILE 4 H ILE 4 7.723 6.775 2.081 26 HA ILE 4 HA ILE 4 6.338 9.146 1.093 27 HB ILE 4 HB ILE 4 7.766 8.711 3.718 28 HG12 ILE 4 HG12 ILE 4 4.789 8.847 3.275 29 HG13 ILE 4 HG13 ILE 4 5.666 7.322 3.207 30 HG21 ILE 4 HG21 ILE 4 5.961 10.941 2.793 31 HG22 ILE 4 HG22 ILE 4 6.567 10.736 4.436 32 HG23 ILE 4 HG23 ILE 4 7.691 11.054 3.115 33 HD11 ILE 4 HD11 ILE 4 5.639 7.156 5.409 34 HD12 ILE 4 HD12 ILE 4 6.362 8.755 5.590 35 HD13 ILE 4 HD13 ILE 4 4.611 8.587 5.457 36 H LYS 5 H LYS 5 7.329 10.849 0.216 37 HA LYS 5 HA LYS 5 10.240 11.111 0.534 38 HB2 LYS 5 HB2 LYS 5 8.958 11.793 -2.083 39 HB3 LYS 5 HB3 LYS 5 10.630 11.366 -1.739 40 HG2 LYS 5 HG2 LYS 5 8.452 9.349 -1.395 41 HG3 LYS 5 HG3 LYS 5 9.126 9.684 -2.990 42 HD2 LYS 5 HD2 LYS 5 11.355 9.404 -1.374 43 HD3 LYS 5 HD3 LYS 5 10.244 8.170 -0.776 44 HE2 LYS 5 HE2 LYS 5 10.809 8.510 -3.705 45 HE3 LYS 5 HE3 LYS 5 11.841 7.524 -2.671 46 HZ1 LYS 5 HZ1 LYS 5 9.748 6.550 -3.952 47 HZ2 LYS 5 HZ2 LYS 5 8.977 7.019 -2.522 48 HZ3 LYS 5 HZ3 LYS 5 10.272 5.932 -2.466 49 HA PRO 6 HA PRO 6 9.500 15.354 1.384 50 HB2 PRO 6 HB2 PRO 6 11.725 16.510 0.341 51 HB3 PRO 6 HB3 PRO 6 11.749 15.542 1.820 52 HG2 PRO 6 HG2 PRO 6 12.489 14.755 -0.972 53 HG3 PRO 6 HG3 PRO 6 13.317 14.385 0.551 54 HD2 PRO 6 HD2 PRO 6 11.709 12.603 -0.703 55 HD3 PRO 6 HD3 PRO 6 11.873 12.663 1.064 56 H GLN 7 H GLN 7 10.143 17.608 0.043 57 HA GLN 7 HA GLN 7 8.669 17.346 -2.494 58 HB2 GLN 7 HB2 GLN 7 7.400 18.560 -0.790 59 HB3 GLN 7 HB3 GLN 7 8.739 19.680 -0.574 60 HG2 GLN 7 HG2 GLN 7 8.315 20.787 -2.519 61 HG3 GLN 7 HG3 GLN 7 7.592 19.379 -3.294 62 HE21 GLN 7 HE21 GLN 7 5.631 18.624 -1.677 63 HE22 GLN 7 HE22 GLN 7 4.461 19.878 -1.472 64 H VAL 8 H VAL 8 11.613 18.172 -1.082 65 HA VAL 8 HA VAL 8 12.622 19.141 -3.626 66 HB VAL 8 HB VAL 8 13.696 21.120 -2.696 67 HG11 VAL 8 HG11 VAL 8 11.450 21.299 -3.712 68 HG12 VAL 8 HG12 VAL 8 10.739 21.141 -2.105 69 HG13 VAL 8 HG13 VAL 8 11.751 22.534 -2.490 70 HG21 VAL 8 HG21 VAL 8 14.014 21.301 -0.506 71 HG22 VAL 8 HG22 VAL 8 12.280 21.545 -0.297 72 HG23 VAL 8 HG23 VAL 8 12.958 19.920 -0.206 73 H SER 9 H SER 9 15.114 19.846 -3.064 74 HA SER 9 HA SER 9 16.227 17.459 -1.754 75 HB2 SER 9 HB2 SER 9 17.791 19.235 -3.606 76 HB3 SER 9 HB3 SER 9 18.032 17.527 -3.241 77 HG SER 9 HG SER 9 16.880 18.371 -5.323 78 H GLY 10 H GLY 10 17.399 17.670 0.042 79 HA2 GLY 10 HA2 GLY 10 19.019 19.965 0.587 80 HA3 GLY 10 HA3 GLY 10 17.552 19.961 1.554 81 H VAL 11 H VAL 11 17.997 19.305 3.544 82 HA VAL 11 HA VAL 11 19.428 16.785 3.909 83 HB VAL 11 HB VAL 11 20.185 19.228 5.511 84 HG11 VAL 11 HG11 VAL 11 22.203 17.325 5.613 85 HG12 VAL 11 HG12 VAL 11 21.033 17.693 6.883 86 HG13 VAL 11 HG13 VAL 11 20.712 16.392 5.736 87 HG21 VAL 11 HG21 VAL 11 21.440 18.033 3.061 88 HG22 VAL 11 HG22 VAL 11 21.021 19.717 3.378 89 HG23 VAL 11 HG23 VAL 11 22.380 18.973 4.221 90 H ILE 12 H ILE 12 18.717 15.602 5.622 91 HA ILE 12 HA ILE 12 16.198 16.072 6.696 92 HB ILE 12 HB ILE 12 18.394 14.373 7.887 93 HG12 ILE 12 HG12 ILE 12 17.879 13.789 5.550 94 HG13 ILE 12 HG13 ILE 12 17.357 12.526 6.660 95 HG21 ILE 12 HG21 ILE 12 16.504 13.112 8.891 96 HG22 ILE 12 HG22 ILE 12 16.667 14.755 9.510 97 HG23 ILE 12 HG23 ILE 12 15.413 14.379 8.329 98 HD11 ILE 12 HD11 ILE 12 15.849 13.843 4.694 99 HD12 ILE 12 HD12 ILE 12 15.300 12.647 5.869 100 HD13 ILE 12 HD13 ILE 12 15.216 14.366 6.255 101 H VAL 13 H VAL 13 15.454 16.794 8.685 102 HA VAL 13 HA VAL 13 17.404 18.304 10.301 103 HB VAL 13 HB VAL 13 14.514 19.094 10.059 104 HG11 VAL 13 HG11 VAL 13 16.399 21.223 10.430 105 HG12 VAL 13 HG12 VAL 13 15.079 20.705 11.480 106 HG13 VAL 13 HG13 VAL 13 16.672 19.961 11.632 107 HG21 VAL 13 HG21 VAL 13 15.151 19.255 7.822 108 HG22 VAL 13 HG22 VAL 13 15.446 20.875 8.452 109 HG23 VAL 13 HG23 VAL 13 16.791 19.759 8.226 110 H ASN 14 H ASN 14 14.489 16.345 10.271 111 HA ASN 14 HA ASN 14 15.041 15.215 12.804 112 HB2 ASN 14 HB2 ASN 14 14.061 17.613 13.264 113 HB3 ASN 14 HB3 ASN 14 12.524 16.833 12.902 114 HD21 ASN 14 HD21 ASN 14 11.690 16.944 14.933 115 HD22 ASN 14 HD22 ASN 14 12.328 16.066 16.277 116 H LYS 15 H LYS 15 13.004 13.955 13.604 117 HA LYS 15 HA LYS 15 11.293 13.123 11.391 118 HB2 LYS 15 HB2 LYS 15 11.779 10.718 11.889 119 HB3 LYS 15 HB3 LYS 15 13.122 11.592 11.163 120 HG2 LYS 15 HG2 LYS 15 13.514 11.892 13.889 121 HG3 LYS 15 HG3 LYS 15 12.961 10.225 13.704 122 HD2 LYS 15 HD2 LYS 15 15.103 11.350 11.931 123 HD3 LYS 15 HD3 LYS 15 15.488 10.715 13.533 124 HE2 LYS 15 HE2 LYS 15 14.260 8.607 12.825 125 HE3 LYS 15 HE3 LYS 15 14.291 9.260 11.187 126 HZ1 LYS 15 HZ1 LYS 15 16.227 7.739 12.274 127 HZ2 LYS 15 HZ2 LYS 15 16.848 9.293 12.518 128 HZ3 LYS 15 HZ3 LYS 15 16.447 8.778 10.957 129 H LEU 16 H LEU 16 9.344 13.489 12.239 130 HA LEU 16 HA LEU 16 8.851 12.889 15.055 131 HB2 LEU 16 HB2 LEU 16 6.753 14.007 13.271 132 HB3 LEU 16 HB3 LEU 16 7.073 14.330 14.974 133 HG LEU 16 HG LEU 16 8.613 15.419 12.618 134 HD11 LEU 16 HD11 LEU 16 6.240 16.288 13.387 135 HD12 LEU 16 HD12 LEU 16 7.521 17.397 12.904 136 HD13 LEU 16 HD13 LEU 16 7.205 17.107 14.614 137 HD21 LEU 16 HD21 LEU 16 10.296 15.839 13.999 138 HD22 LEU 16 HD22 LEU 16 9.446 15.000 15.296 139 HD23 LEU 16 HD23 LEU 16 9.212 16.732 15.064 140 H PHE 17 H PHE 17 9.235 10.566 13.907 141 HA PHE 17 HA PHE 17 6.651 9.304 14.047 142 HB2 PHE 17 HB2 PHE 17 6.377 8.606 11.894 143 HB3 PHE 17 HB3 PHE 17 7.282 10.078 11.556 144 HD1 PHE 17 HD1 PHE 17 9.746 9.924 11.142 145 HD2 PHE 17 HD2 PHE 17 7.237 6.492 11.345 146 HE1 PHE 17 HE1 PHE 17 11.469 8.601 9.988 147 HE2 PHE 17 HE2 PHE 17 8.957 5.163 10.191 148 HZ PHE 17 HZ PHE 17 11.077 6.216 9.512 149 H LYS 18 H LYS 18 6.837 6.912 13.965 150 HA LYS 18 HA LYS 18 9.528 5.985 14.716 151 HB2 LYS 18 HB2 LYS 18 6.916 5.274 16.064 152 HB3 LYS 18 HB3 LYS 18 8.463 4.509 16.408 153 HG2 LYS 18 HG2 LYS 18 8.338 6.047 18.099 154 HG3 LYS 18 HG3 LYS 18 9.240 6.955 16.884 155 HD2 LYS 18 HD2 LYS 18 7.430 8.294 16.353 156 HD3 LYS 18 HD3 LYS 18 6.255 7.120 16.951 157 HE2 LYS 18 HE2 LYS 18 8.177 8.377 18.858 158 HE3 LYS 18 HE3 LYS 18 6.777 9.298 18.310 159 HZ1 LYS 18 HZ1 LYS 18 5.537 8.209 19.763 160 HZ2 LYS 18 HZ2 LYS 18 6.882 7.331 20.293 161 HZ3 LYS 18 HZ3 LYS 18 5.923 6.731 19.035 162 H ALA 19 H ALA 19 9.662 3.537 14.673 163 HA ALA 19 HA ALA 19 8.574 2.630 12.137 164 HB1 ALA 19 HB1 ALA 19 10.993 2.259 13.397 165 HB2 ALA 19 HB2 ALA 19 10.187 0.703 13.604 166 HB3 ALA 19 HB3 ALA 19 10.411 1.373 11.987 167 H GLY 20 H GLY 20 6.666 1.645 12.075 168 HA2 GLY 20 HA2 GLY 20 5.188 -0.118 12.515 169 HA3 GLY 20 HA3 GLY 20 6.097 -0.488 13.972 170 H ASP 21 H ASP 21 5.160 2.786 13.415 171 HA ASP 21 HA ASP 21 3.264 2.579 15.644 172 HB2 ASP 21 HB2 ASP 21 5.335 4.281 15.363 173 HB3 ASP 21 HB3 ASP 21 4.063 5.241 14.611 174 H LYS 22 H LYS 22 1.721 4.771 15.327 175 HA LYS 22 HA LYS 22 0.146 4.071 12.954 176 HB2 LYS 22 HB2 LYS 22 -0.487 4.900 15.681 177 HB3 LYS 22 HB3 LYS 22 -1.385 5.808 14.472 178 HG2 LYS 22 HG2 LYS 22 -1.562 3.166 13.632 179 HG3 LYS 22 HG3 LYS 22 -1.745 3.096 15.387 180 HD2 LYS 22 HD2 LYS 22 -3.636 4.454 15.366 181 HD3 LYS 22 HD3 LYS 22 -3.267 5.107 13.768 182 HE2 LYS 22 HE2 LYS 22 -4.179 3.332 12.685 183 HE3 LYS 22 HE3 LYS 22 -3.723 2.189 13.946 184 HZ1 LYS 22 HZ1 LYS 22 -5.507 3.310 15.327 185 HZ2 LYS 22 HZ2 LYS 22 -6.039 2.334 14.053 186 HZ3 LYS 22 HZ3 LYS 22 -6.047 4.017 13.887 187 H VAL 23 H VAL 23 -0.456 5.562 11.433 188 HA VAL 23 HA VAL 23 0.685 8.265 11.712 189 HB VAL 23 HB VAL 23 1.674 6.512 9.962 190 HG11 VAL 23 HG11 VAL 23 0.678 6.506 7.867 191 HG12 VAL 23 HG12 VAL 23 -0.708 6.397 8.954 192 HG13 VAL 23 HG13 VAL 23 -0.287 7.941 8.210 193 HG21 VAL 23 HG21 VAL 23 1.235 9.343 9.065 194 HG22 VAL 23 HG22 VAL 23 2.266 8.958 10.444 195 HG23 VAL 23 HG23 VAL 23 2.657 8.321 8.846 196 H LYS 24 H LYS 24 -0.414 9.949 10.523 197 HA LYS 24 HA LYS 24 -3.250 9.331 10.007 198 HB2 LYS 24 HB2 LYS 24 -3.224 10.581 12.017 199 HB3 LYS 24 HB3 LYS 24 -2.006 11.692 11.403 200 HG2 LYS 24 HG2 LYS 24 -4.092 12.833 11.433 201 HG3 LYS 24 HG3 LYS 24 -3.686 12.503 9.747 202 HD2 LYS 24 HD2 LYS 24 -5.107 10.304 10.269 203 HD3 LYS 24 HD3 LYS 24 -5.854 11.393 11.439 204 HE2 LYS 24 HE2 LYS 24 -6.546 12.888 9.757 205 HE3 LYS 24 HE3 LYS 24 -5.482 12.157 8.557 206 HZ1 LYS 24 HZ1 LYS 24 -7.536 11.311 8.002 207 HZ2 LYS 24 HZ2 LYS 24 -8.047 11.163 9.607 208 HZ3 LYS 24 HZ3 LYS 24 -6.918 10.073 8.977 209 H LYS 25 H LYS 25 -4.293 10.537 8.369 210 HA LYS 25 HA LYS 25 -2.710 11.041 6.087 211 HB2 LYS 25 HB2 LYS 25 -5.539 11.990 6.545 212 HB3 LYS 25 HB3 LYS 25 -4.752 11.689 5.000 213 HG2 LYS 25 HG2 LYS 25 -4.925 9.404 5.202 214 HG3 LYS 25 HG3 LYS 25 -5.033 9.460 6.963 215 HD2 LYS 25 HD2 LYS 25 -7.254 9.467 6.860 216 HD3 LYS 25 HD3 LYS 25 -7.232 10.899 5.828 217 HE2 LYS 25 HE2 LYS 25 -6.609 8.248 4.620 218 HE3 LYS 25 HE3 LYS 25 -8.287 8.627 5.006 219 HZ1 LYS 25 HZ1 LYS 25 -6.781 9.469 2.799 220 HZ2 LYS 25 HZ2 LYS 25 -7.174 10.838 3.711 221 HZ3 LYS 25 HZ3 LYS 25 -8.399 9.811 3.157 222 H GLY 26 H GLY 26 -1.159 12.602 6.596 223 HA2 GLY 26 HA2 GLY 26 -0.788 14.936 5.948 224 HA3 GLY 26 HA3 GLY 26 -2.245 15.338 6.846 225 H GLN 27 H GLN 27 -0.251 12.992 8.316 226 HA GLN 27 HA GLN 27 0.472 14.906 10.388 227 HB2 GLN 27 HB2 GLN 27 0.478 13.164 11.830 228 HB3 GLN 27 HB3 GLN 27 -0.453 12.372 10.565 229 HG2 GLN 27 HG2 GLN 27 1.359 11.118 9.840 230 HG3 GLN 27 HG3 GLN 27 2.531 12.189 10.606 231 HE21 GLN 27 HE21 GLN 27 -0.387 10.948 12.098 232 HE22 GLN 27 HE22 GLN 27 0.405 9.973 13.284 233 H THR 28 H THR 28 2.531 15.460 10.943 234 HA THR 28 HA THR 28 4.539 15.280 8.949 235 HB THR 28 HB THR 28 5.011 16.054 11.827 236 HG1 THR 28 HG1 THR 28 4.013 17.666 9.693 237 HG21 THR 28 HG21 THR 28 6.424 16.454 9.233 238 HG22 THR 28 HG22 THR 28 7.079 16.099 10.833 239 HG23 THR 28 HG23 THR 28 6.520 17.727 10.450 240 H LEU 29 H LEU 29 6.413 14.090 8.858 241 HA LEU 29 HA LEU 29 6.859 12.070 10.936 242 HB2 LEU 29 HB2 LEU 29 6.981 11.432 7.998 243 HB3 LEU 29 HB3 LEU 29 7.127 10.312 9.350 244 HG LEU 29 HG LEU 29 4.585 11.833 8.905 245 HD11 LEU 29 HD11 LEU 29 4.431 10.875 6.884 246 HD12 LEU 29 HD12 LEU 29 4.069 9.411 7.798 247 HD13 LEU 29 HD13 LEU 29 5.710 9.708 7.224 248 HD21 LEU 29 HD21 LEU 29 3.652 10.319 10.332 249 HD22 LEU 29 HD22 LEU 29 5.301 10.324 10.956 250 HD23 LEU 29 HD23 LEU 29 4.770 9.032 9.878 251 H PHE 30 H PHE 30 8.104 13.737 8.077 252 HA PHE 30 HA PHE 30 10.804 13.516 9.229 253 HB2 PHE 30 HB2 PHE 30 9.852 12.844 6.510 254 HB3 PHE 30 HB3 PHE 30 11.361 13.749 6.590 255 HD1 PHE 30 HD1 PHE 30 13.225 12.818 8.052 256 HD2 PHE 30 HD2 PHE 30 9.825 10.546 6.870 257 HE1 PHE 30 HE1 PHE 30 14.450 10.739 8.537 258 HE2 PHE 30 HE2 PHE 30 11.043 8.465 7.353 259 HZ PHE 30 HZ PHE 30 13.359 8.559 8.188 260 H ILE 31 H ILE 31 12.312 15.188 8.160 261 HA ILE 31 HA ILE 31 10.991 17.641 7.350 262 HB ILE 31 HB ILE 31 12.675 17.555 9.857 263 HG12 ILE 31 HG12 ILE 31 9.726 18.083 9.438 264 HG13 ILE 31 HG13 ILE 31 10.439 16.711 10.279 265 HG21 ILE 31 HG21 ILE 31 11.309 19.885 8.516 266 HG22 ILE 31 HG22 ILE 31 12.219 19.938 10.024 267 HG23 ILE 31 HG23 ILE 31 13.043 19.571 8.509 268 HD11 ILE 31 HD11 ILE 31 11.471 18.921 11.586 269 HD12 ILE 31 HD12 ILE 31 9.790 19.343 11.259 270 HD13 ILE 31 HD13 ILE 31 10.172 17.868 12.146 271 H ILE 32 H ILE 32 12.230 18.826 6.012 272 HA ILE 32 HA ILE 32 15.126 18.400 5.987 273 HB ILE 32 HB ILE 32 13.294 17.996 3.634 274 HG12 ILE 32 HG12 ILE 32 15.646 16.276 4.216 275 HG13 ILE 32 HG13 ILE 32 14.294 16.179 5.341 276 HG21 ILE 32 HG21 ILE 32 14.805 19.285 2.532 277 HG22 ILE 32 HG22 ILE 32 16.092 18.966 3.694 278 HG23 ILE 32 HG23 ILE 32 15.679 17.753 2.482 279 HD11 ILE 32 HD11 ILE 32 13.000 15.084 3.880 280 HD12 ILE 32 HD12 ILE 32 13.557 16.042 2.507 281 HD13 ILE 32 HD13 ILE 32 14.533 14.698 3.100 282 H GLU 33 H GLU 33 16.283 20.199 5.555 283 HA GLU 33 HA GLU 33 14.764 22.621 4.846 284 HB2 GLU 33 HB2 GLU 33 15.637 22.924 7.020 285 HB3 GLU 33 HB3 GLU 33 17.186 22.215 6.585 286 HG2 GLU 33 HG2 GLU 33 17.685 24.142 5.182 287 HG3 GLU 33 HG3 GLU 33 16.126 24.853 5.596 288 H GLN 34 H GLN 34 15.618 24.071 3.348 289 HA GLN 34 HA GLN 34 17.892 23.064 1.768 290 HB2 GLN 34 HB2 GLN 34 16.502 24.464 -0.078 291 HB3 GLN 34 HB3 GLN 34 16.323 22.733 0.172 292 HG2 GLN 34 HG2 GLN 34 14.617 24.741 1.606 293 HG3 GLN 34 HG3 GLN 34 14.202 24.110 0.014 294 HE21 GLN 34 HE21 GLN 34 12.457 23.724 2.010 295 HE22 GLN 34 HE22 GLN 34 12.447 22.070 2.509 296 H ASP 35 H ASP 35 18.627 24.935 0.198 297 HA ASP 35 HA ASP 35 19.311 27.165 1.939 298 HB2 ASP 35 HB2 ASP 35 20.546 25.818 -0.318 299 HB3 ASP 35 HB3 ASP 35 20.548 27.568 -0.530 300 H GLN 36 H GLN 36 17.095 26.448 -0.522 301 HA GLN 36 HA GLN 36 16.843 28.767 -1.981 302 HB2 GLN 36 HB2 GLN 36 15.247 26.466 -1.455 303 HB3 GLN 36 HB3 GLN 36 14.214 27.884 -1.324 304 HG2 GLN 36 HG2 GLN 36 14.517 28.476 -3.530 305 HG3 GLN 36 HG3 GLN 36 16.032 27.586 -3.669 306 HE21 GLN 36 HE21 GLN 36 15.447 25.122 -2.845 307 HE22 GLN 36 HE22 GLN 36 14.231 24.402 -3.836 308 H ALA 37 H ALA 37 15.876 28.145 1.323 309 HA ALA 37 HA ALA 37 14.660 30.807 1.510 310 HB1 ALA 37 HB1 ALA 37 13.462 30.081 3.333 311 HB2 ALA 37 HB2 ALA 37 13.591 28.594 2.394 312 HB3 ALA 37 HB3 ALA 37 14.659 28.862 3.772 313 H SER 38 H SER 38 17.483 30.609 1.230 314 HA SER 38 HA SER 38 18.575 31.073 3.891 315 HB2 SER 38 HB2 SER 38 20.751 31.207 2.737 316 HB3 SER 38 HB3 SER 38 19.890 29.725 2.322 317 HG SER 38 HG SER 38 20.419 30.431 0.376 318 H LYS 39 H LYS 39 16.634 32.916 2.568 319 HA LYS 39 HA LYS 39 18.289 35.333 2.335 320 HB2 LYS 39 HB2 LYS 39 15.648 34.513 1.242 321 HB3 LYS 39 HB3 LYS 39 15.866 36.217 1.621 322 HG2 LYS 39 HG2 LYS 39 16.392 35.379 -0.759 323 HG3 LYS 39 HG3 LYS 39 17.511 36.499 0.023 324 HD2 LYS 39 HD2 LYS 39 18.916 34.593 0.694 325 HD3 LYS 39 HD3 LYS 39 17.809 33.499 -0.140 326 HE2 LYS 39 HE2 LYS 39 19.387 35.729 -1.421 327 HE3 LYS 39 HE3 LYS 39 19.783 34.013 -1.500 328 HZ1 LYS 39 HZ1 LYS 39 18.616 34.135 -3.400 329 HZ2 LYS 39 HZ2 LYS 39 17.754 35.513 -2.932 330 HZ3 LYS 39 HZ3 LYS 39 17.273 33.988 -2.382 331 H ASP 40 H ASP 40 15.365 34.093 3.921 332 HA ASP 40 HA ASP 40 15.343 36.389 5.723 333 HB2 ASP 40 HB2 ASP 40 13.175 35.651 6.420 334 HB3 ASP 40 HB3 ASP 40 13.230 35.522 4.664 335 H PHE 41 H PHE 41 17.548 34.641 5.962 336 HA PHE 41 HA PHE 41 17.108 33.674 8.699 337 HB2 PHE 41 HB2 PHE 41 17.739 31.554 8.263 338 HB3 PHE 41 HB3 PHE 41 17.376 31.943 6.585 339 HD1 PHE 41 HD1 PHE 41 19.219 32.640 5.063 340 HD2 PHE 41 HD2 PHE 41 19.944 31.129 8.975 341 HE1 PHE 41 HE1 PHE 41 21.558 32.184 4.449 342 HE2 PHE 41 HE2 PHE 41 22.284 30.672 8.369 343 HZ PHE 41 HZ PHE 41 23.095 31.200 6.104 344 H ASN 42 H ASN 42 18.588 34.383 10.096 345 HA ASN 42 HA ASN 42 21.317 34.608 9.701 346 HB2 ASN 42 HB2 ASN 42 21.732 36.912 9.255 347 HB3 ASN 42 HB3 ASN 42 20.574 36.373 8.041 348 HD21 ASN 42 HD21 ASN 42 18.207 36.579 8.962 349 H ARG 43 H ARG 43 22.068 36.726 11.241 350 HA ARG 43 HA ARG 43 20.867 36.025 13.818 351 HB2 ARG 43 HB2 ARG 43 23.338 35.808 13.483 352 HB3 ARG 43 HB3 ARG 43 23.418 37.554 13.283 353 HG2 ARG 43 HG2 ARG 43 23.148 37.959 15.491 354 HG3 ARG 43 HG3 ARG 43 22.101 36.560 15.733 355 HD2 ARG 43 HD2 ARG 43 23.844 35.149 16.114 356 HD3 ARG 43 HD3 ARG 43 24.929 36.026 15.036 357 HE ARG 43 HE ARG 43 24.261 37.458 17.440 358 HH11 ARG 43 HH11 ARG 43 26.413 35.145 15.978 359 HH12 ARG 43 HH12 ARG 43 27.701 35.439 17.099 360 HH21 ARG 43 HH21 ARG 43 25.949 37.854 18.922 361 HH22 ARG 43 HH22 ARG 43 27.436 36.980 18.774 362 H SER 44 H SER 44 19.020 37.449 12.934 363 HA SER 44 HA SER 44 19.434 40.159 13.989 364 HB2 SER 44 HB2 SER 44 18.584 39.390 11.277 365 HB3 SER 44 HB3 SER 44 17.553 40.593 12.051 366 HG SER 44 HG SER 44 20.374 40.818 11.948 367 H LYS 45 H LYS 45 17.215 37.541 13.224 368 HA LYS 45 HA LYS 45 14.819 38.521 14.136 369 HB2 LYS 45 HB2 LYS 45 15.857 35.729 14.652 370 HB3 LYS 45 HB3 LYS 45 14.171 36.226 14.591 371 HG2 LYS 45 HG2 LYS 45 14.096 36.110 12.364 372 HG3 LYS 45 HG3 LYS 45 15.671 36.885 12.176 373 HD2 LYS 45 HD2 LYS 45 16.800 34.902 12.186 374 HD3 LYS 45 HD3 LYS 45 15.621 34.111 13.233 375 HE2 LYS 45 HE2 LYS 45 15.192 34.798 10.327 376 HE3 LYS 45 HE3 LYS 45 15.619 33.202 10.942 377 HZ1 LYS 45 HZ1 LYS 45 13.077 34.640 11.112 378 HZ2 LYS 45 HZ2 LYS 45 13.492 33.626 12.400 379 HZ3 LYS 45 HZ3 LYS 45 13.372 32.997 10.834 380 H ALA 46 H ALA 46 17.579 37.448 16.007 381 HA ALA 46 HA ALA 46 16.264 38.473 18.424 382 HB1 ALA 46 HB1 ALA 46 15.997 36.207 18.819 383 HB2 ALA 46 HB2 ALA 46 17.534 35.789 18.060 384 HB3 ALA 46 HB3 ALA 46 17.515 36.565 19.644 385 H LEU 47 H LEU 47 17.817 38.968 20.175 386 HA LEU 47 HA LEU 47 20.563 39.419 19.277 387 HB2 LEU 47 HB2 LEU 47 18.783 41.572 20.414 388 HB3 LEU 47 HB3 LEU 47 20.512 41.733 20.115 389 HG LEU 47 HG LEU 47 19.517 40.980 17.656 390 HD11 LEU 47 HD11 LEU 47 17.251 41.562 18.916 391 HD12 LEU 47 HD12 LEU 47 17.511 41.946 17.215 392 HD13 LEU 47 HD13 LEU 47 17.715 43.197 18.442 393 HD21 LEU 47 HD21 LEU 47 20.246 43.076 16.955 394 HD22 LEU 47 HD22 LEU 47 21.190 42.783 18.415 395 HD23 LEU 47 HD23 LEU 47 19.787 43.852 18.471 396 H PHE 48 H PHE 48 19.804 37.468 21.023 397 HA PHE 48 HA PHE 48 20.225 36.603 23.084 398 HB2 PHE 48 HB2 PHE 48 22.293 37.082 23.867 399 HB3 PHE 48 HB3 PHE 48 22.410 38.087 22.426 400 HD1 PHE 48 HD2 PHE 48 21.431 38.193 26.007 401 HD2 PHE 48 HD1 PHE 48 22.814 40.362 22.617 402 HE1 PHE 48 HE2 PHE 48 21.791 40.172 27.424 403 HE2 PHE 48 HE1 PHE 48 23.178 42.344 24.029 404 HZ PHE 48 HZ PHE 48 22.665 42.251 26.436 405 H SER 49 H SER 49 19.564 36.721 25.239 406 HA SER 49 HA SER 49 18.789 39.125 26.520 407 HB2 SER 49 HB2 SER 49 16.965 38.544 24.656 408 HB3 SER 49 HB3 SER 49 16.363 37.496 25.940 409 HG SER 49 HG SER 49 16.770 40.301 26.050 410 H GLN 50 H GLN 50 20.004 38.140 28.166 411 HA GLN 50 HA GLN 50 20.231 37.033 30.142 412 HB2 GLN 50 HB2 GLN 50 17.390 37.126 29.702 413 HB3 GLN 50 HB3 GLN 50 17.824 35.602 30.464 414 HG2 GLN 50 HG2 GLN 50 17.409 36.987 32.263 415 HG3 GLN 50 HG3 GLN 50 19.164 37.050 32.110 416 HE21 GLN 50 HE21 GLN 50 20.135 38.920 31.287 417 HE22 GLN 50 HE22 GLN 50 19.304 40.435 31.257 418 H SER 51 H SER 51 17.971 34.795 28.566 419 HA SER 51 HA SER 51 20.159 32.828 28.402 420 HB2 SER 51 HB2 SER 51 18.390 32.458 30.243 421 HB3 SER 51 HB3 SER 51 17.295 32.049 28.922 422 HG SER 51 HG SER 51 18.681 30.329 30.022 423 H ALA 52 H ALA 52 20.072 34.070 26.210 424 HA ALA 52 HA ALA 52 18.087 33.720 24.326 425 HB1 ALA 52 HB1 ALA 52 19.607 34.412 22.758 426 HB2 ALA 52 HB2 ALA 52 20.403 34.957 24.234 427 HB3 ALA 52 HB3 ALA 52 20.922 33.464 23.452 428 H ILE 53 H ILE 53 20.955 31.631 24.737 429 HA ILE 53 HA ILE 53 19.335 29.364 23.812 430 HB ILE 53 HB ILE 53 22.110 30.037 22.831 431 HG12 ILE 53 HG12 ILE 53 19.386 29.995 21.547 432 HG13 ILE 53 HG13 ILE 53 20.565 31.302 21.573 433 HG21 ILE 53 HG21 ILE 53 22.028 27.977 21.566 434 HG22 ILE 53 HG22 ILE 53 21.830 27.632 23.284 435 HG23 ILE 53 HG23 ILE 53 20.429 27.612 22.213 436 HD11 ILE 53 HD11 ILE 53 20.725 28.739 20.011 437 HD12 ILE 53 HD12 ILE 53 20.505 30.372 19.380 438 HD13 ILE 53 HD13 ILE 53 22.034 29.914 20.129 439 H SER 54 H SER 54 19.198 28.524 25.880 440 HA SER 54 HA SER 54 21.354 28.261 27.669 441 HB2 SER 54 HB2 SER 54 18.622 27.753 27.744 442 HB3 SER 54 HB3 SER 54 19.353 26.161 27.949 443 HG SER 54 HG SER 54 20.000 28.472 29.468 444 H GLN 55 H GLN 55 23.151 27.387 26.683 445 HA GLN 55 HA GLN 55 23.332 25.240 24.985 446 HB2 GLN 55 HB2 GLN 55 25.239 26.063 27.178 447 HB3 GLN 55 HB3 GLN 55 25.629 24.897 25.922 448 HG2 GLN 55 HG2 GLN 55 24.662 27.153 24.583 449 HG3 GLN 55 HG3 GLN 55 25.725 27.762 25.850 450 HE21 GLN 55 HE21 GLN 55 25.943 27.543 22.856 451 HE22 GLN 55 HE22 GLN 55 27.470 26.782 22.592 452 H LYS 56 H LYS 56 22.620 25.234 28.370 453 HA LYS 56 HA LYS 56 23.352 22.773 29.268 454 HB2 LYS 56 HB2 LYS 56 21.101 22.800 30.528 455 HB3 LYS 56 HB3 LYS 56 22.231 24.118 30.815 456 HG2 LYS 56 HG2 LYS 56 20.981 25.565 29.345 457 HG3 LYS 56 HG3 LYS 56 19.891 24.242 28.924 458 HD2 LYS 56 HD2 LYS 56 18.775 25.579 30.546 459 HD3 LYS 56 HD3 LYS 56 19.288 24.099 31.360 460 HE2 LYS 56 HE2 LYS 56 20.907 25.176 32.587 461 HE3 LYS 56 HE3 LYS 56 21.093 26.471 31.405 462 HZ1 LYS 56 HZ1 LYS 56 19.951 27.581 32.996 463 HZ2 LYS 56 HZ2 LYS 56 19.164 26.202 33.581 464 HZ3 LYS 56 HZ3 LYS 56 18.624 26.946 32.160 465 H GLU 57 H GLU 57 20.650 23.515 27.121 466 HA GLU 57 HA GLU 57 20.625 20.769 26.202 467 HB2 GLU 57 HB2 GLU 57 18.210 22.023 27.514 468 HB3 GLU 57 HB3 GLU 57 18.148 20.567 26.529 469 HG2 GLU 57 HG2 GLU 57 19.922 19.663 28.175 470 HG3 GLU 57 HG3 GLU 57 19.377 20.972 29.222 471 H TYR 58 H TYR 58 19.518 24.070 25.981 472 HA TYR 58 HA TYR 58 18.796 25.353 24.245 473 HB2 TYR 58 HB2 TYR 58 20.191 25.290 22.473 474 HB3 TYR 58 HB3 TYR 58 21.019 24.027 23.378 475 HD1 TYR 58 HD2 TYR 58 18.467 24.608 20.747 476 HD2 TYR 58 HD1 TYR 58 21.149 21.832 22.539 477 HE1 TYR 58 HE2 TYR 58 18.051 23.027 18.909 478 HE2 TYR 58 HE1 TYR 58 20.740 20.245 20.705 479 HH TYR 58 HH TYR 58 19.963 20.483 18.205 480 H ASP 59 H ASP 59 17.204 25.536 22.607 481 HA ASP 59 HA ASP 59 15.620 23.099 22.141 482 HB2 ASP 59 HB2 ASP 59 14.739 24.880 23.873 483 HB3 ASP 59 HB3 ASP 59 14.258 25.749 22.419 484 H SER 60 H SER 60 14.034 23.405 20.306 485 HA SER 60 HA SER 60 15.474 24.273 18.001 486 HB2 SER 60 HB2 SER 60 13.195 22.638 18.548 487 HB3 SER 60 HB3 SER 60 12.737 23.842 17.344 488 HG SER 60 HG SER 60 14.368 23.129 16.024 489 H SER 61 H SER 61 13.461 25.858 20.201 490 HA SER 61 HA SER 61 11.992 27.648 18.713 491 HB2 SER 61 HB2 SER 61 13.127 27.604 21.425 492 HB3 SER 61 HB3 SER 61 12.836 29.224 20.791 493 HG SER 61 HG SER 61 10.927 27.122 20.867 494 H LEU 62 H LEU 62 15.430 27.661 19.395 495 HA LEU 62 HA LEU 62 15.873 30.292 18.332 496 HB2 LEU 62 HB2 LEU 62 18.250 29.737 18.547 497 HB3 LEU 62 HB3 LEU 62 17.350 29.421 20.030 498 HG LEU 62 HG LEU 62 17.325 26.980 18.745 499 HD11 LEU 62 HD11 LEU 62 18.902 27.241 17.127 500 HD12 LEU 62 HD12 LEU 62 19.955 26.814 18.476 501 HD13 LEU 62 HD13 LEU 62 19.763 28.503 18.009 502 HD21 LEU 62 HD21 LEU 62 19.155 26.454 20.445 503 HD22 LEU 62 HD22 LEU 62 17.634 27.098 21.063 504 HD23 LEU 62 HD23 LEU 62 19.042 28.150 20.911 505 H ALA 63 H ALA 63 16.209 26.981 17.156 506 HA ALA 63 HA ALA 63 17.396 27.716 14.664 507 HB1 ALA 63 HB1 ALA 63 17.108 25.368 16.036 508 HB2 ALA 63 HB2 ALA 63 15.964 25.170 14.708 509 HB3 ALA 63 HB3 ALA 63 17.660 25.515 14.367 510 H THR 64 H THR 64 16.378 28.767 13.099 511 HA THR 64 HA THR 64 13.809 27.884 12.149 512 HB THR 64 HB THR 64 13.694 30.779 12.610 513 HG1 THR 64 HG1 THR 64 14.656 30.029 14.597 514 HG21 THR 64 HG21 THR 64 11.791 29.616 11.728 515 HG22 THR 64 HG22 THR 64 11.392 30.140 13.364 516 HG23 THR 64 HG23 THR 64 11.820 28.457 13.057 517 H LEU 65 H LEU 65 14.579 27.601 10.120 518 HA LEU 65 HA LEU 65 15.303 30.015 8.642 519 HB2 LEU 65 HB2 LEU 65 16.877 27.634 7.926 520 HB3 LEU 65 HB3 LEU 65 17.340 29.335 7.955 521 HG LEU 65 HG LEU 65 17.317 28.997 10.548 522 HD11 LEU 65 HD11 LEU 65 18.309 26.538 10.800 523 HD12 LEU 65 HD12 LEU 65 17.182 26.240 9.478 524 HD13 LEU 65 HD13 LEU 65 16.594 26.897 11.005 525 HD21 LEU 65 HD21 LEU 65 19.417 29.496 9.975 526 HD22 LEU 65 HD22 LEU 65 19.327 28.559 8.483 527 HD23 LEU 65 HD23 LEU 65 19.708 27.757 10.008 528 H ASP 66 H ASP 66 12.884 28.553 8.684 529 HA ASP 66 HA ASP 66 11.319 27.718 7.261 530 HB2 ASP 66 HB2 ASP 66 13.376 28.702 5.297 531 HB3 ASP 66 HB3 ASP 66 11.896 27.915 4.759 532 H HIS 67 H HIS 67 10.943 25.612 7.386 533 HA HIS 67 HA HIS 67 12.782 23.775 6.015 534 HB2 HIS 67 HB2 HIS 67 11.455 23.021 8.607 535 HB3 HIS 67 HB3 HIS 67 12.817 22.246 7.804 536 HD1 HIS 67 HD1 HIS 67 12.384 23.820 10.763 537 HD2 HIS 67 HD2 HIS 67 14.879 24.712 7.562 538 HE1 HIS 67 HE1 HIS 67 14.238 25.221 11.725 539 H THR 68 H THR 68 11.839 22.011 5.020 540 HA THR 68 HA THR 68 8.938 22.204 4.672 541 HB THR 68 HB THR 68 11.044 20.762 3.054 542 HG1 THR 68 HG1 THR 68 9.473 23.095 2.666 543 HG21 THR 68 HG21 THR 68 8.187 20.331 3.212 544 HG22 THR 68 HG22 THR 68 9.412 19.427 2.320 545 HG23 THR 68 HG23 THR 68 8.669 20.854 1.598 546 H GLU 69 H GLU 69 7.974 21.087 6.292 547 HA GLU 69 HA GLU 69 8.990 18.606 7.290 548 HB2 GLU 69 HB2 GLU 69 6.179 19.587 7.700 549 HB3 GLU 69 HB3 GLU 69 7.171 18.619 8.780 550 HG2 GLU 69 HG2 GLU 69 8.614 20.551 9.183 551 HG3 GLU 69 HG3 GLU 69 7.606 21.522 8.109 552 H ILE 70 H ILE 70 8.579 16.594 6.627 553 HA ILE 70 HA ILE 70 6.872 16.223 4.302 554 HB ILE 70 HB ILE 70 8.717 14.303 5.726 555 HG12 ILE 70 HG12 ILE 70 9.869 14.562 3.382 556 HG13 ILE 70 HG13 ILE 70 8.967 16.072 3.320 557 HG21 ILE 70 HG21 ILE 70 8.264 13.243 3.256 558 HG22 ILE 70 HG22 ILE 70 7.462 12.731 4.739 559 HG23 ILE 70 HG23 ILE 70 6.677 13.892 3.669 560 HD11 ILE 70 HD11 ILE 70 10.113 16.958 5.152 561 HD12 ILE 70 HD12 ILE 70 10.731 15.379 5.640 562 HD13 ILE 70 HD13 ILE 70 11.352 16.158 4.186 563 H LYS 71 H LYS 71 4.784 15.848 4.617 564 HA LYS 71 HA LYS 71 3.883 14.529 7.058 565 HB2 LYS 71 HB2 LYS 71 1.603 15.133 6.210 566 HB3 LYS 71 HB3 LYS 71 2.662 16.507 6.490 567 HG2 LYS 71 HG2 LYS 71 3.022 15.699 3.805 568 HG3 LYS 71 HG3 LYS 71 1.286 15.769 4.117 569 HD2 LYS 71 HD2 LYS 71 1.535 17.960 3.661 570 HD3 LYS 71 HD3 LYS 71 2.119 18.050 5.325 571 HE2 LYS 71 HE2 LYS 71 4.205 18.526 4.673 572 HE3 LYS 71 HE3 LYS 71 4.192 17.274 3.432 573 HZ1 LYS 71 HZ1 LYS 71 3.597 18.730 1.847 574 HZ2 LYS 71 HZ2 LYS 71 4.249 19.881 2.901 575 HZ3 LYS 71 HZ3 LYS 71 2.579 19.617 2.867 576 H ALA 72 H ALA 72 2.298 12.793 6.951 577 HA ALA 72 HA ALA 72 3.091 10.773 5.074 578 HB1 ALA 72 HB1 ALA 72 2.295 9.341 6.588 579 HB2 ALA 72 HB2 ALA 72 2.083 10.746 7.633 580 HB3 ALA 72 HB3 ALA 72 0.733 10.158 6.663 581 HA PRO 73 HA PRO 73 0.029 11.438 1.982 582 HB2 PRO 73 HB2 PRO 73 -0.061 8.942 0.918 583 HB3 PRO 73 HB3 PRO 73 1.287 10.052 0.650 584 HG2 PRO 73 HG2 PRO 73 1.062 7.776 2.581 585 HG3 PRO 73 HG3 PRO 73 2.428 8.236 1.549 586 HD2 PRO 73 HD2 PRO 73 2.320 8.851 4.184 587 HD3 PRO 73 HD3 PRO 73 3.122 9.895 2.992 588 H PHE 74 H PHE 74 -0.324 8.573 4.048 589 HA PHE 74 HA PHE 74 -3.119 9.177 4.455 590 HB2 PHE 74 HB2 PHE 74 -3.737 6.754 3.834 591 HB3 PHE 74 HB3 PHE 74 -3.498 7.903 2.521 592 HD1 PHE 74 HD1 PHE 74 -2.064 5.029 4.300 593 HD2 PHE 74 HD2 PHE 74 -1.684 7.671 0.984 594 HE1 PHE 74 HE1 PHE 74 -0.389 3.529 3.301 595 HE2 PHE 74 HE2 PHE 74 -0.010 6.174 -0.021 596 HZ PHE 74 HZ PHE 74 0.639 4.100 1.137 597 H ASP 75 H ASP 75 -4.057 7.983 6.195 598 HA ASP 75 HA ASP 75 -2.319 7.516 8.343 599 HB2 ASP 75 HB2 ASP 75 -4.303 6.614 9.506 600 HB3 ASP 75 HB3 ASP 75 -4.652 8.132 8.686 601 H GLY 76 H GLY 76 -2.742 5.294 9.646 602 HA2 GLY 76 HA2 GLY 76 -2.955 2.861 9.239 603 HA3 GLY 76 HA3 GLY 76 -2.038 3.126 7.764 604 H THR 77 H THR 77 -0.552 1.520 8.508 605 HA THR 77 HA THR 77 1.062 2.219 10.842 606 HB THR 77 HB THR 77 1.117 -0.243 9.087 607 HG1 THR 77 HG1 THR 77 0.305 -0.028 11.802 608 HG21 THR 77 HG21 THR 77 2.537 -1.175 10.933 609 HG22 THR 77 HG22 THR 77 2.672 0.461 11.575 610 HG23 THR 77 HG23 THR 77 3.316 0.085 9.977 611 H ILE 78 H ILE 78 3.223 2.715 10.756 612 HA ILE 78 HA ILE 78 4.286 3.310 8.076 613 HB ILE 78 HB ILE 78 4.044 5.299 9.449 614 HG12 ILE 78 HG12 ILE 78 6.972 4.963 9.626 615 HG13 ILE 78 HG13 ILE 78 6.269 4.587 8.057 616 HG21 ILE 78 HG21 ILE 78 5.477 5.515 11.511 617 HG22 ILE 78 HG22 ILE 78 4.091 4.436 11.655 618 HG23 ILE 78 HG23 ILE 78 5.708 3.769 11.433 619 HD11 ILE 78 HD11 ILE 78 5.469 7.122 9.369 620 HD12 ILE 78 HD12 ILE 78 7.084 7.012 8.668 621 HD13 ILE 78 HD13 ILE 78 5.665 6.742 7.659 622 H GLY 79 H GLY 79 6.355 2.686 7.513 623 HA2 GLY 79 HA2 GLY 79 7.398 0.420 8.990 624 HA3 GLY 79 HA3 GLY 79 7.964 1.003 7.432 625 H ASP 80 H ASP 80 10.123 0.725 8.203 626 HA ASP 80 HA ASP 80 10.989 2.515 10.342 627 HB2 ASP 80 HB2 ASP 80 13.239 1.375 9.888 628 HB3 ASP 80 HB3 ASP 80 11.957 0.377 10.567 629 H ALA 81 H ALA 81 12.790 3.960 10.040 630 HA ALA 81 HA ALA 81 12.597 5.416 7.570 631 HB1 ALA 81 HB1 ALA 81 14.589 6.673 8.848 632 HB2 ALA 81 HB2 ALA 81 12.884 6.940 9.217 633 HB3 ALA 81 HB3 ALA 81 13.842 5.845 10.215 634 H LEU 82 H LEU 82 14.616 6.165 6.445 635 HA LEU 82 HA LEU 82 16.556 3.956 6.237 636 HB2 LEU 82 HB2 LEU 82 15.079 5.479 4.163 637 HB3 LEU 82 HB3 LEU 82 16.744 5.022 3.807 638 HG LEU 82 HG LEU 82 16.247 2.770 3.723 639 HD11 LEU 82 HD11 LEU 82 14.070 1.858 4.640 640 HD12 LEU 82 HD12 LEU 82 13.869 3.417 5.442 641 HD13 LEU 82 HD13 LEU 82 15.257 2.399 5.827 642 HD21 LEU 82 HD21 LEU 82 15.143 3.970 1.892 643 HD22 LEU 82 HD22 LEU 82 13.674 4.088 2.860 644 HD23 LEU 82 HD23 LEU 82 14.265 2.509 2.341 645 H VAL 83 H VAL 83 16.035 7.438 5.933 646 HA VAL 83 HA VAL 83 18.938 7.870 5.993 647 HB VAL 83 HB VAL 83 18.534 10.112 5.249 648 HG11 VAL 83 HG11 VAL 83 17.587 9.719 3.087 649 HG12 VAL 83 HG12 VAL 83 18.452 8.260 3.575 650 HG13 VAL 83 HG13 VAL 83 16.692 8.318 3.677 651 HG21 VAL 83 HG21 VAL 83 16.212 10.914 4.820 652 HG22 VAL 83 HG22 VAL 83 15.613 9.493 5.675 653 HG23 VAL 83 HG23 VAL 83 16.591 10.689 6.527 654 H ASN 84 H ASN 84 19.827 9.470 7.423 655 HA ASN 84 HA ASN 84 18.291 9.710 9.924 656 HB2 ASN 84 HB2 ASN 84 21.273 10.020 9.778 657 HB3 ASN 84 HB3 ASN 84 20.274 9.536 11.145 658 HD21 ASN 84 HD21 ASN 84 21.783 8.512 8.189 659 HD22 ASN 84 HD22 ASN 84 21.613 6.813 8.454 660 H ILE 85 H ILE 85 19.408 11.625 11.290 661 HA ILE 85 HA ILE 85 18.678 14.011 9.900 662 HB ILE 85 HB ILE 85 20.091 13.900 12.557 663 HG12 ILE 85 HG12 ILE 85 18.243 12.329 12.680 664 HG13 ILE 85 HG13 ILE 85 17.834 13.782 13.585 665 HG21 ILE 85 HG21 ILE 85 18.328 15.875 12.796 666 HG22 ILE 85 HG22 ILE 85 19.925 16.118 12.089 667 HG23 ILE 85 HG23 ILE 85 18.520 15.906 11.043 668 HD11 ILE 85 HD11 ILE 85 16.810 12.928 10.898 669 HD12 ILE 85 HD12 ILE 85 15.902 13.171 12.392 670 HD13 ILE 85 HD13 ILE 85 16.585 14.555 11.539 671 H GLY 86 H GLY 86 20.017 15.878 9.575 672 HA2 GLY 86 HA2 GLY 86 21.908 16.960 8.852 673 HA3 GLY 86 HA3 GLY 86 22.816 15.881 9.900 674 H ASP 87 H ASP 87 20.867 14.292 7.606 675 HA ASP 87 HA ASP 87 23.259 13.690 6.006 676 HB2 ASP 87 HB2 ASP 87 21.245 12.035 7.160 677 HB3 ASP 87 HB3 ASP 87 21.124 11.899 5.408 678 H TYR 88 H TYR 88 23.377 14.468 4.014 679 HA TYR 88 HA TYR 88 21.365 16.052 2.858 680 HB2 TYR 88 HB2 TYR 88 23.697 16.369 2.273 681 HB3 TYR 88 HB3 TYR 88 23.787 14.745 1.601 682 HD1 TYR 88 HD2 TYR 88 22.620 14.219 -0.520 683 HD2 TYR 88 HD1 TYR 88 22.789 18.185 1.012 684 HE1 TYR 88 HE2 TYR 88 21.980 15.093 -2.728 685 HE2 TYR 88 HE1 TYR 88 22.148 19.069 -1.192 686 HH TYR 88 HH TYR 88 21.907 18.554 -3.384 687 H VAL 89 H VAL 89 19.849 15.671 1.300 688 HA VAL 89 HA VAL 89 19.636 12.989 0.153 689 HB VAL 89 HB VAL 89 17.121 13.084 0.639 690 HG11 VAL 89 HG11 VAL 89 19.280 12.463 2.606 691 HG12 VAL 89 HG12 VAL 89 17.589 12.286 3.081 692 HG13 VAL 89 HG13 VAL 89 18.223 11.370 1.714 693 HG21 VAL 89 HG21 VAL 89 17.605 14.530 3.127 694 HG22 VAL 89 HG22 VAL 89 17.745 15.542 1.690 695 HG23 VAL 89 HG23 VAL 89 16.259 14.643 1.993 696 H SER 90 H SER 90 18.320 12.874 -1.728 697 HA SER 90 HA SER 90 18.276 15.363 -3.209 698 HB2 SER 90 HB2 SER 90 18.551 12.603 -3.860 699 HB3 SER 90 HB3 SER 90 17.136 13.220 -4.714 700 HG SER 90 HG SER 90 18.375 14.604 -5.810 701 H ALA 91 H ALA 91 16.212 15.139 -4.926 702 HA ALA 91 HA ALA 91 14.039 16.169 -3.502 703 HB1 ALA 91 HB1 ALA 91 14.699 16.244 -6.061 704 HB2 ALA 91 HB2 ALA 91 13.549 14.909 -6.148 705 HB3 ALA 91 HB3 ALA 91 13.034 16.478 -5.526 706 H SER 92 H SER 92 11.891 14.732 -4.876 707 HA SER 92 HA SER 92 11.032 13.042 -2.880 708 HB2 SER 92 HB2 SER 92 9.501 13.875 -4.563 709 HB3 SER 92 HB3 SER 92 10.343 12.978 -5.827 710 HG SER 92 HG SER 92 8.854 11.545 -5.367 711 H THR 93 H THR 93 13.339 12.427 -5.349 712 HA THR 93 HA THR 93 13.177 9.659 -5.629 713 HB THR 93 HB THR 93 15.691 11.341 -5.662 714 HG1 THR 93 HG1 THR 93 15.035 12.002 -7.564 715 HG21 THR 93 HG21 THR 93 16.104 9.379 -7.464 716 HG22 THR 93 HG22 THR 93 15.105 8.515 -6.295 717 HG23 THR 93 HG23 THR 93 16.611 9.273 -5.779 718 H THR 94 H THR 94 14.406 11.596 -3.022 719 HA THR 94 HA THR 94 15.936 9.520 -1.778 720 HB THR 94 HB THR 94 16.312 11.989 -1.418 721 HG1 THR 94 HG1 THR 94 17.332 10.706 0.036 722 HG21 THR 94 HG21 THR 94 14.884 13.297 -0.194 723 HG22 THR 94 HG22 THR 94 14.220 11.929 0.698 724 HG23 THR 94 HG23 THR 94 13.712 12.228 -0.963 725 H GLU 95 H GLU 95 14.916 7.730 -1.117 726 HA GLU 95 HA GLU 95 12.257 7.904 0.059 727 HB2 GLU 95 HB2 GLU 95 12.544 5.352 0.143 728 HB3 GLU 95 HB3 GLU 95 12.402 6.110 -1.437 729 HG2 GLU 95 HG2 GLU 95 14.543 5.642 -2.015 730 HG3 GLU 95 HG3 GLU 95 15.130 5.736 -0.356 731 H LEU 96 H LEU 96 11.948 8.067 2.171 732 HA LEU 96 HA LEU 96 14.160 7.399 3.981 733 HB2 LEU 96 HB2 LEU 96 11.695 8.867 4.819 734 HB3 LEU 96 HB3 LEU 96 13.323 8.943 5.492 735 HG LEU 96 HG LEU 96 13.038 11.012 4.463 736 HD11 LEU 96 HD11 LEU 96 14.979 9.350 3.573 737 HD12 LEU 96 HD12 LEU 96 14.854 11.056 3.143 738 HD13 LEU 96 HD13 LEU 96 14.221 9.822 2.052 739 HD21 LEU 96 HD21 LEU 96 11.764 11.475 2.639 740 HD22 LEU 96 HD22 LEU 96 10.987 9.970 3.132 741 HD23 LEU 96 HD23 LEU 96 12.174 9.963 1.827 742 H VAL 97 H VAL 97 10.599 7.359 4.213 743 HA VAL 97 HA VAL 97 10.766 4.616 5.254 744 HB VAL 97 HB VAL 97 10.523 6.369 7.101 745 HG11 VAL 97 HG11 VAL 97 8.704 7.539 5.591 746 HG12 VAL 97 HG12 VAL 97 7.623 6.436 6.443 747 HG13 VAL 97 HG13 VAL 97 8.605 7.587 7.351 748 HG21 VAL 97 HG21 VAL 97 8.169 4.708 7.457 749 HG22 VAL 97 HG22 VAL 97 9.540 3.799 6.822 750 HG23 VAL 97 HG23 VAL 97 9.701 4.698 8.331 751 H ARG 98 H ARG 98 8.788 3.401 5.076 752 HA ARG 98 HA ARG 98 6.984 4.453 2.995 753 HB2 ARG 98 HB2 ARG 98 6.780 2.265 2.074 754 HB3 ARG 98 HB3 ARG 98 8.499 2.568 2.290 755 HG2 ARG 98 HG2 ARG 98 6.918 1.109 4.371 756 HG3 ARG 98 HG3 ARG 98 7.561 0.276 2.955 757 HD2 ARG 98 HD2 ARG 98 9.727 1.704 3.808 758 HD3 ARG 98 HD3 ARG 98 8.935 1.299 5.331 759 HE ARG 98 HE ARG 98 9.035 -1.027 3.819 760 HH11 ARG 98 HH11 ARG 98 11.263 1.209 5.287 761 HH12 ARG 98 HH12 ARG 98 12.495 0.017 5.542 762 HH21 ARG 98 HH21 ARG 98 10.648 -2.605 4.149 763 HH22 ARG 98 HH22 ARG 98 12.145 -2.152 4.893 764 H VAL 99 H VAL 99 4.777 3.915 3.131 765 HA VAL 99 HA VAL 99 3.910 3.171 5.842 766 HB VAL 99 HB VAL 99 2.492 4.784 3.720 767 HG11 VAL 99 HG11 VAL 99 1.537 3.901 6.441 768 HG12 VAL 99 HG12 VAL 99 0.733 5.108 5.434 769 HG13 VAL 99 HG13 VAL 99 0.862 3.438 4.878 770 HG21 VAL 99 HG21 VAL 99 2.708 6.123 6.206 771 HG22 VAL 99 HG22 VAL 99 4.301 5.483 5.803 772 HG23 VAL 99 HG23 VAL 99 3.465 6.541 4.668 773 H THR 100 H THR 100 2.694 1.409 6.160 774 HA THR 100 HA THR 100 1.410 0.131 3.849 775 HB THR 100 HB THR 100 3.594 -0.995 4.313 776 HG1 THR 100 HG1 THR 100 1.969 -2.225 3.368 777 HG21 THR 100 HG21 THR 100 2.256 -1.805 6.897 778 HG22 THR 100 HG22 THR 100 3.600 -0.672 6.758 779 HG23 THR 100 HG23 THR 100 3.823 -2.362 6.311 780 H ASN 101 H ASN 101 -0.279 -1.399 4.432 781 HA ASN 101 HA ASN 101 -2.140 -2.037 5.574 782 HB2 ASN 101 HB2 ASN 101 -0.058 -1.973 7.527 783 HB3 ASN 101 HB3 ASN 101 -1.528 -1.350 8.269 784 HD21 ASN 101 HD21 ASN 101 -3.518 -2.745 7.315 785 HD22 ASN 101 HD22 ASN 101 -3.327 -4.439 7.597 786 H LEU 102 H LEU 102 -3.883 -0.824 5.291 787 HA LEU 102 HA LEU 102 -4.171 1.634 6.854 788 HB2 LEU 102 HB2 LEU 102 -5.404 2.202 4.423 789 HB3 LEU 102 HB3 LEU 102 -3.934 2.927 5.073 790 HG LEU 102 HG LEU 102 -3.809 0.405 3.457 791 HD11 LEU 102 HD11 LEU 102 -4.435 3.130 2.517 792 HD12 LEU 102 HD12 LEU 102 -4.788 1.565 1.787 793 HD13 LEU 102 HD13 LEU 102 -3.177 2.266 1.632 794 HD21 LEU 102 HD21 LEU 102 -1.654 2.033 2.904 795 HD22 LEU 102 HD22 LEU 102 -1.671 0.675 4.030 796 HD23 LEU 102 HD23 LEU 102 -1.950 2.314 4.620 797 H ASN 103 H ASN 103 -5.883 -0.355 4.434 798 HA ASN 103 HA ASN 103 -8.317 -0.102 6.062 799 HB2 ASN 103 HB2 ASN 103 -8.299 -1.237 3.287 800 HB3 ASN 103 HB3 ASN 103 -9.586 -0.382 4.132 801 HD21 ASN 103 HD21 ASN 103 -9.776 1.762 3.887 802 HD22 ASN 103 HD22 ASN 103 -8.696 2.744 2.963 803 HA PRO 104 HA PRO 104 -8.255 -4.330 7.244 804 HB2 PRO 104 HB2 PRO 104 -10.907 -4.905 7.291 805 HB3 PRO 104 HB3 PRO 104 -10.124 -3.883 8.502 806 HG2 PRO 104 HG2 PRO 104 -11.716 -3.088 6.094 807 HG3 PRO 104 HG3 PRO 104 -11.764 -2.422 7.736 808 HD2 PRO 104 HD2 PRO 104 -10.432 -1.212 5.713 809 HD3 PRO 104 HD3 PRO 104 -9.888 -1.124 7.401 810 H ILE 105 H ILE 105 -7.255 -5.287 5.432 811 HA ILE 105 HA ILE 105 -8.904 -6.093 3.179 812 HB ILE 105 HB ILE 105 -6.011 -6.792 3.668 813 HG12 ILE 105 HG12 ILE 105 -6.229 -4.370 3.735 814 HG13 ILE 105 HG13 ILE 105 -5.478 -4.852 2.218 815 HG21 ILE 105 HG21 ILE 105 -7.888 -7.006 1.368 816 HG22 ILE 105 HG22 ILE 105 -6.180 -6.709 1.048 817 HG23 ILE 105 HG23 ILE 105 -6.673 -8.146 1.944 818 HD11 ILE 105 HD11 ILE 105 -7.601 -4.563 1.067 819 HD12 ILE 105 HD12 ILE 105 -8.368 -4.103 2.587 820 HD13 ILE 105 HD13 ILE 105 -7.112 -3.083 1.890 821 H TYR 106 H TYR 106 -9.208 -8.260 2.531 822 HA TYR 106 HA TYR 106 -8.447 -10.401 4.324 823 HB2 TYR 106 HB2 TYR 106 -10.929 -11.145 4.402 824 HB3 TYR 106 HB3 TYR 106 -10.391 -9.888 5.510 825 HD1 TYR 106 HD2 TYR 106 -11.051 -7.549 5.149 826 HD2 TYR 106 HD1 TYR 106 -12.491 -10.666 2.636 827 HE1 TYR 106 HE2 TYR 106 -12.811 -6.051 4.311 828 HE2 TYR 106 HE1 TYR 106 -14.255 -9.175 1.788 829 HH TYR 106 HH TYR 106 -14.222 -5.910 2.129 830 H ALA 107 H ALA 107 -7.369 -10.550 2.092 831 HA ALA 107 HA ALA 107 -8.723 -12.631 0.635 832 HB1 ALA 107 HB1 ALA 107 -8.783 -9.907 -0.341 833 HB2 ALA 107 HB2 ALA 107 -8.000 -10.997 -1.485 834 HB3 ALA 107 HB3 ALA 107 -9.638 -11.335 -0.925 835 H ASP 108 H ASP 108 -6.185 -10.304 -0.272 836 HA ASP 108 HA ASP 108 -4.025 -10.607 -0.930 837 HB2 ASP 108 HB2 ASP 108 -3.977 -11.200 1.561 838 HB3 ASP 108 HB3 ASP 108 -3.925 -12.884 1.043 839 H GLY 109 H GLY 109 -4.413 -11.317 -3.035 840 HA2 GLY 109 HA2 GLY 109 -3.660 -14.093 -3.499 841 HA3 GLY 109 HA3 GLY 109 -5.240 -13.613 -4.099 842 H SER 110 H SER 110 -1.848 -12.527 -4.181 843 HA SER 110 HA SER 110 -2.265 -11.224 -6.730 844 HB2 SER 110 HB2 SER 110 -0.068 -11.373 -4.734 845 HB3 SER 110 HB3 SER 110 0.396 -11.069 -6.409 846 HG SER 110 HG SER 110 0.007 -9.097 -5.509 847 H HIS 111 H HIS 111 -0.125 -13.821 -5.547 848 HA HIS 111 HA HIS 111 0.669 -15.703 -6.559 849 HB2 HIS 111 HB2 HIS 111 -1.824 -15.193 -7.886 850 HB3 HIS 111 HB3 HIS 111 -0.654 -15.785 -9.061 851 HD1 HIS 111 HD1 HIS 111 -1.523 -16.807 -5.489 852 HD2 HIS 111 HD2 HIS 111 -0.910 -18.458 -9.252 853 HE1 HIS 111 HE1 HIS 111 -1.823 -19.287 -5.193 854 H HIS 112 H HIS 112 -0.125 -13.818 -9.466 855 HA HIS 112 HA HIS 112 1.184 -13.253 -11.257 856 HB2 HIS 112 HB2 HIS 112 2.929 -11.685 -10.732 857 HB3 HIS 112 HB3 HIS 112 1.625 -11.450 -9.572 858 HD1 HIS 112 HD1 HIS 112 2.166 -11.789 -7.125 859 HD2 HIS 112 HD2 HIS 112 5.263 -12.937 -9.645 860 HE1 HIS 112 HE1 HIS 112 4.133 -12.215 -5.619 861 H HIS 113 H HIS 113 3.932 -13.083 -11.608 862 HA HIS 113 HA HIS 113 4.574 -15.818 -12.111 863 HB2 HIS 113 HB2 HIS 113 5.868 -13.184 -12.621 864 HB3 HIS 113 HB3 HIS 113 6.893 -14.615 -12.653 865 HD1 HIS 113 HD1 HIS 113 5.810 -16.605 -14.295 866 HD2 HIS 113 HD2 HIS 113 4.764 -12.651 -15.023 867 HE1 HIS 113 HE1 HIS 113 4.965 -16.558 -16.663 868 H HIS 114 H HIS 114 4.630 -16.812 -10.070 869 HA HIS 114 HA HIS 114 6.432 -15.885 -8.028 870 HB2 HIS 114 HB2 HIS 114 4.319 -17.057 -7.484 871 HB3 HIS 114 HB3 HIS 114 4.954 -18.516 -8.239 872 HD1 HIS 114 HD1 HIS 114 5.493 -16.291 -5.244 873 HD2 HIS 114 HD2 HIS 114 6.620 -20.034 -6.653 874 HE1 HIS 114 HE1 HIS 114 6.642 -17.418 -3.313 875 H HIS 115 H HIS 115 6.514 -18.193 -10.637 876 HA HIS 115 HA HIS 115 9.365 -18.509 -10.300 877 HB2 HIS 115 HB2 HIS 115 7.809 -20.369 -9.029 878 HB3 HIS 115 HB3 HIS 115 8.077 -21.136 -10.591 879 HD1 HIS 115 HD1 HIS 115 10.511 -21.819 -11.173 880 HD2 HIS 115 HD2 HIS 115 10.053 -20.187 -7.380 881 HE1 HIS 115 HE1 HIS 115 12.650 -22.338 -9.955 882 H HIS 116 H HIS 116 10.288 -19.885 -12.095 883 HA HIS 116 HA HIS 116 8.749 -19.387 -14.552 884 HB2 HIS 116 HB2 HIS 116 10.988 -18.245 -14.239 885 HB3 HIS 116 HB3 HIS 116 11.728 -19.840 -14.347 886 HD1 HIS 116 HD1 HIS 116 11.773 -20.972 -16.667 887 HD2 HIS 116 HD2 HIS 116 10.038 -17.197 -16.656 888 HE1 HIS 116 HE1 HIS 116 11.584 -20.312 -19.086 889 H2 B6D 117 H2 B6D 117 16.032 37.207 8.195 890 H1 B6D 117 H1 B6D 117 18.114 39.357 8.910 891 H3 B6D 117 H3 B6D 117 16.182 40.170 7.448 892 HN2 B6D 117 HN2 B6D 117 17.109 37.047 6.203 893 H5 B6D 117 H5 B6D 117 16.248 40.736 10.029 894 H8 B6D 117 H22 B6D 117 20.429 38.292 5.274 895 H8A B6D 117 H21 B6D 117 18.950 38.080 4.309 896 H8B B6D 117 H23 B6D 117 19.469 36.802 5.440 897 H4 B6D 117 H4 B6D 117 14.210 38.613 9.190 898 HN4 B6D 117 HN4 B6D 117 12.885 40.385 8.710 899 H9 B6D 117 H43 B6D 117 12.787 43.120 7.587 900 H9A B6D 117 H41 B6D 117 12.228 42.603 9.199 901 H9B B6D 117 H42 B6D 117 13.406 43.930 9.055 902 H6 B6D 117 H62 B6D 117 14.059 40.473 11.427 903 H6A B6D 117 H63 B6D 117 14.690 38.871 11.861 904 H6B B6D 117 H61 B6D 117 15.602 40.328 12.290 905 H1 A2G 118 H1 A2G 118 14.153 40.941 6.239 906 H2 A2G 118 H2 A2G 118 12.920 40.431 4.133 907 H3 A2G 118 H3 A2G 118 13.734 37.556 4.782 908 H4 A2G 118 H4 A2G 118 14.882 37.620 2.645 909 H5 A2G 118 H5 A2G 118 16.144 38.335 4.473 910 H61 A2G 118 H61 A2G 118 16.790 39.859 2.012 911 H62 A2G 118 H62 A2G 118 17.696 38.610 2.876 912 H81 A2G 118 H81 A2G 118 9.306 39.513 6.420 913 H82 A2G 118 H82 A2G 118 9.312 41.179 7.054 914 H83 A2G 118 H83 A2G 118 10.239 39.910 7.895 915 HO3 A2G 118 HO3 A2G 118 11.791 37.261 3.971 916 HO6 A2G 118 HO6 A2G 118 18.786 40.386 3.439 917 HN2 A2G 118 HN2 A2G 118 11.720 38.598 6.048 918 H1 A2G 119 H1 A2G 119 15.669 38.774 0.692 919 H2 A2G 119 H2 A2G 119 15.056 40.343 -1.147 920 H3 A2G 119 H3 A2G 119 13.054 41.397 0.912 921 H4 A2G 119 H4 A2G 119 11.369 40.773 -0.721 922 H5 A2G 119 H5 A2G 119 11.957 39.096 0.789 923 H61 A2G 119 H61 A2G 119 11.851 37.481 -1.753 924 H62 A2G 119 H62 A2G 119 10.457 38.311 -1.046 925 H81 A2G 119 H81 A2G 119 18.578 43.221 -0.276 926 H82 A2G 119 H82 A2G 119 18.109 42.441 1.257 927 H83 A2G 119 H83 A2G 119 17.301 43.945 0.749 928 HO3 A2G 119 HO3 A2G 119 13.135 43.197 -0.105 929 HO6 A2G 119 HO6 A2G 119 10.537 36.196 -0.251 930 HN2 A2G 119 HN2 A2G 119 15.895 41.477 1.437 931 H1 A2G 120 H1 A2G 120 10.639 40.064 -2.772 932 H2 A2G 120 H2 A2G 120 11.066 39.670 -5.196 933 H3 A2G 120 H3 A2G 120 13.997 39.808 -4.329 934 H4 A2G 120 H4 A2G 120 14.145 41.680 -5.865 935 H5 A2G 120 H5 A2G 120 13.528 42.232 -3.685 936 H61 A2G 120 H61 A2G 120 11.484 44.034 -4.840 937 H62 A2G 120 H62 A2G 120 13.095 44.056 -5.571 938 H81 A2G 120 H81 A2G 120 10.111 35.315 -4.293 939 H82 A2G 120 H82 A2G 120 10.419 35.682 -2.576 940 H83 A2G 120 H83 A2G 120 11.786 35.565 -3.712 941 HO6 A2G 120 HO6 A2G 120 13.449 45.376 -3.927 942 HN2 A2G 120 HN2 A2G 120 12.678 37.574 -4.072 943 H1 A2G 121 H1 A2G 121 13.383 43.042 -7.540 944 H2 A2G 121 H2 A2G 121 11.786 43.479 -9.405 945 H3 A2G 121 H3 A2G 121 10.117 41.341 -7.988 946 H4 A2G 121 H4 A2G 121 10.305 40.113 -10.072 947 H5 A2G 121 H5 A2G 121 12.013 39.724 -8.533 948 H61 A2G 121 H61 A2G 121 14.137 39.244 -9.925 949 H62 A2G 121 H62 A2G 121 13.152 39.780 -11.293 950 H81 A2G 121 H81 A2G 121 11.017 46.255 -5.888 951 H82 A2G 121 H82 A2G 121 9.405 46.028 -6.612 952 H83 A2G 121 H83 A2G 121 10.450 47.351 -7.185 953 HO3 A2G 121 HO3 A2G 121 8.827 43.079 -8.715 954 HO6 A2G 121 HO6 A2G 121 13.126 37.406 -10.507 955 HN2 A2G 121 HN2 A2G 121 10.361 43.709 -6.824 956 H1 A2G 122 H1 A2G 122 11.286 39.872 -12.395 957 H2 A2G 122 H2 A2G 122 11.246 41.148 -14.537 958 H3 A2G 122 H3 A2G 122 11.342 43.571 -12.672 959 H4 A2G 122 H4 A2G 122 9.229 44.179 -13.697 960 H5 A2G 122 H5 A2G 122 9.063 42.806 -11.819 961 H61 A2G 122 H61 A2G 122 6.863 43.152 -12.884 962 H62 A2G 122 H62 A2G 122 6.962 41.699 -11.880 963 H81 A2G 122 H81 A2G 122 15.763 40.290 -15.165 964 H82 A2G 122 H82 A2G 122 15.484 40.311 -13.405 965 H83 A2G 122 H83 A2G 122 15.735 41.844 -14.278 966 HO3 A2G 122 HO3 A2G 122 11.207 43.895 -15.425 967 HO6 A2G 122 HO6 A2G 122 6.835 41.896 -14.690 968 HN2 A2G 122 HN2 A2G 122 13.500 41.891 -12.761 969 H2 BGC 123 H2 BGC 123 14.439 37.650 -8.133 970 H3 BGC 123 H3 BGC 123 17.404 37.527 -7.452 971 H4 BGC 123 H4 BGC 123 16.260 39.337 -9.645 972 H5 BGC 123 H5 BGC 123 17.399 40.126 -6.912 973 H6C1 BGC 123 H61 BGC 123 16.740 41.754 -9.375 974 H6C2 BGC 123 H62 BGC 123 16.356 42.440 -7.785 975 H1 BGC 123 H1 BGC 123 15.608 38.971 -5.631 976 HB BGC 123 HO2 BGC 123 15.471 35.838 -7.039 977 HC BGC 123 HO3 BGC 123 17.373 36.818 -9.691 978 HD BGC 123 HO4 BGC 123 18.350 38.706 -10.066 979 H6 BGC 123 HO6 BGC 123 18.625 42.691 -8.783 Start of MODEL 15 1 H1 ASP 1 H ASP 1 -0.481 1.416 1.393 2 HA ASP 1 HA ASP 1 1.179 0.977 -0.472 3 HB2 ASP 1 HB2 ASP 1 -1.537 1.000 -0.580 4 HB3 ASP 1 HB3 ASP 1 -1.152 2.179 -1.830 5 H VAL 2 H VAL 2 1.968 3.504 0.602 6 HA VAL 2 HA VAL 2 2.736 4.809 -1.877 7 HB VAL 2 HB VAL 2 1.242 6.273 0.299 8 HG11 VAL 2 HG11 VAL 2 2.791 7.362 -2.048 9 HG12 VAL 2 HG12 VAL 2 1.667 8.305 -1.067 10 HG13 VAL 2 HG13 VAL 2 3.123 7.627 -0.337 11 HG21 VAL 2 HG21 VAL 2 -0.166 6.971 -1.679 12 HG22 VAL 2 HG22 VAL 2 0.685 5.739 -2.612 13 HG23 VAL 2 HG23 VAL 2 -0.284 5.274 -1.215 14 H ILE 3 H ILE 3 4.672 5.900 -1.744 15 HA ILE 3 HA ILE 3 6.190 5.438 0.711 16 HB ILE 3 HB ILE 3 7.201 6.376 -1.975 17 HG12 ILE 3 HG12 ILE 3 7.147 3.601 -0.769 18 HG13 ILE 3 HG13 ILE 3 6.213 4.147 -2.157 19 HG21 ILE 3 HG21 ILE 3 8.684 6.979 -0.170 20 HG22 ILE 3 HG22 ILE 3 8.630 5.337 0.467 21 HG23 ILE 3 HG23 ILE 3 9.392 5.653 -1.091 22 HD11 ILE 3 HD11 ILE 3 7.896 3.153 -3.274 23 HD12 ILE 3 HD12 ILE 3 8.667 4.722 -3.036 24 HD13 ILE 3 HD13 ILE 3 9.051 3.378 -1.960 25 H ILE 4 H ILE 4 7.363 7.065 1.756 26 HA ILE 4 HA ILE 4 6.336 9.777 1.271 27 HB ILE 4 HB ILE 4 7.459 8.490 3.752 28 HG12 ILE 4 HG12 ILE 4 4.795 9.777 3.115 29 HG13 ILE 4 HG13 ILE 4 5.097 8.052 3.294 30 HG21 ILE 4 HG21 ILE 4 7.099 10.696 4.846 31 HG22 ILE 4 HG22 ILE 4 8.411 10.686 3.668 32 HG23 ILE 4 HG23 ILE 4 6.853 11.397 3.247 33 HD11 ILE 4 HD11 ILE 4 4.063 8.884 5.284 34 HD12 ILE 4 HD12 ILE 4 5.737 8.464 5.648 35 HD13 ILE 4 HD13 ILE 4 5.278 10.153 5.438 36 H LYS 5 H LYS 5 7.654 11.218 0.395 37 HA LYS 5 HA LYS 5 10.549 10.960 0.852 38 HB2 LYS 5 HB2 LYS 5 10.489 12.085 -1.614 39 HB3 LYS 5 HB3 LYS 5 10.683 10.362 -1.322 40 HG2 LYS 5 HG2 LYS 5 7.914 11.384 -1.508 41 HG3 LYS 5 HG3 LYS 5 8.865 11.350 -2.995 42 HD2 LYS 5 HD2 LYS 5 8.519 8.986 -1.154 43 HD3 LYS 5 HD3 LYS 5 7.519 9.285 -2.578 44 HE2 LYS 5 HE2 LYS 5 9.884 9.467 -3.749 45 HE3 LYS 5 HE3 LYS 5 10.370 8.458 -2.387 46 HZ1 LYS 5 HZ1 LYS 5 8.945 6.758 -3.045 47 HZ2 LYS 5 HZ2 LYS 5 9.607 7.300 -4.503 48 HZ3 LYS 5 HZ3 LYS 5 8.040 7.760 -4.064 49 HA PRO 6 HA PRO 6 10.611 15.238 1.822 50 HB2 PRO 6 HB2 PRO 6 12.912 16.089 0.661 51 HB3 PRO 6 HB3 PRO 6 12.885 15.057 2.096 52 HG2 PRO 6 HG2 PRO 6 13.302 14.305 -0.771 53 HG3 PRO 6 HG3 PRO 6 14.164 13.737 0.671 54 HD2 PRO 6 HD2 PRO 6 12.216 12.288 -0.526 55 HD3 PRO 6 HD3 PRO 6 12.506 12.234 1.224 56 H GLN 7 H GLN 7 10.551 14.259 -1.471 57 HA GLN 7 HA GLN 7 9.563 15.212 -3.296 58 HB2 GLN 7 HB2 GLN 7 7.825 16.149 -1.972 59 HB3 GLN 7 HB3 GLN 7 8.902 17.357 -1.285 60 HG2 GLN 7 HG2 GLN 7 8.560 18.774 -2.964 61 HG3 GLN 7 HG3 GLN 7 8.741 17.512 -4.182 62 HE21 GLN 7 HE21 GLN 7 6.437 18.371 -1.616 63 HE22 GLN 7 HE22 GLN 7 5.022 18.162 -2.583 64 H VAL 8 H VAL 8 11.524 17.424 -1.344 65 HA VAL 8 HA VAL 8 12.765 18.403 -3.832 66 HB VAL 8 HB VAL 8 13.418 20.419 -2.575 67 HG11 VAL 8 HG11 VAL 8 11.235 21.458 -2.508 68 HG12 VAL 8 HG12 VAL 8 11.327 20.357 -3.883 69 HG13 VAL 8 HG13 VAL 8 10.454 19.879 -2.427 70 HG21 VAL 8 HG21 VAL 8 11.779 20.506 -0.378 71 HG22 VAL 8 HG22 VAL 8 12.379 18.847 -0.344 72 HG23 VAL 8 HG23 VAL 8 13.515 20.197 -0.348 73 H SER 9 H SER 9 15.054 19.424 -3.143 74 HA SER 9 HA SER 9 16.518 17.192 -1.913 75 HB2 SER 9 HB2 SER 9 17.362 19.306 -3.901 76 HB3 SER 9 HB3 SER 9 18.508 18.229 -3.104 77 HG SER 9 HG SER 9 17.978 16.762 -4.495 78 H GLY 10 H GLY 10 17.082 17.507 0.132 79 HA2 GLY 10 HA2 GLY 10 18.439 19.953 0.892 80 HA3 GLY 10 HA3 GLY 10 16.904 19.683 1.702 81 H VAL 11 H VAL 11 17.683 19.368 3.746 82 HA VAL 11 HA VAL 11 19.164 16.866 4.155 83 HB VAL 11 HB VAL 11 19.773 19.437 5.621 84 HG11 VAL 11 HG11 VAL 11 20.048 17.475 7.025 85 HG12 VAL 11 HG12 VAL 11 21.043 16.705 5.787 86 HG13 VAL 11 HG13 VAL 11 21.621 18.154 6.609 87 HG21 VAL 11 HG21 VAL 11 22.082 18.854 4.451 88 HG22 VAL 11 HG22 VAL 11 21.006 18.117 3.263 89 HG23 VAL 11 HG23 VAL 11 20.851 19.830 3.651 90 H ILE 12 H ILE 12 18.594 15.706 5.958 91 HA ILE 12 HA ILE 12 16.018 16.029 6.995 92 HB ILE 12 HB ILE 12 18.317 14.469 8.179 93 HG12 ILE 12 HG12 ILE 12 17.738 13.839 5.855 94 HG13 ILE 12 HG13 ILE 12 17.376 12.556 7.004 95 HG21 ILE 12 HG21 ILE 12 16.565 14.848 9.818 96 HG22 ILE 12 HG22 ILE 12 15.350 14.267 8.681 97 HG23 ILE 12 HG23 ILE 12 16.572 13.160 9.309 98 HD11 ILE 12 HD11 ILE 12 15.226 12.558 6.458 99 HD12 ILE 12 HD12 ILE 12 15.115 14.314 6.576 100 HD13 ILE 12 HD13 ILE 12 15.683 13.565 5.085 101 H VAL 13 H VAL 13 15.211 16.858 8.882 102 HA VAL 13 HA VAL 13 17.082 18.460 10.503 103 HB VAL 13 HB VAL 13 14.149 19.056 10.143 104 HG11 VAL 13 HG11 VAL 13 16.121 20.024 11.907 105 HG12 VAL 13 HG12 VAL 13 15.805 21.309 10.739 106 HG13 VAL 13 HG13 VAL 13 14.478 20.623 11.680 107 HG21 VAL 13 HG21 VAL 13 14.599 19.771 8.085 108 HG22 VAL 13 HG22 VAL 13 15.625 21.010 8.809 109 HG23 VAL 13 HG23 VAL 13 16.325 19.476 8.296 110 H ASN 14 H ASN 14 14.145 16.491 10.552 111 HA ASN 14 HA ASN 14 14.801 15.387 13.097 112 HB2 ASN 14 HB2 ASN 14 13.724 17.750 13.507 113 HB3 ASN 14 HB3 ASN 14 12.218 16.903 13.160 114 HD21 ASN 14 HD21 ASN 14 11.626 17.416 15.336 115 HD22 ASN 14 HD22 ASN 14 12.200 16.441 16.641 116 H LYS 15 H LYS 15 12.804 14.074 13.935 117 HA LYS 15 HA LYS 15 11.153 13.102 11.730 118 HB2 LYS 15 HB2 LYS 15 11.712 10.737 12.345 119 HB3 LYS 15 HB3 LYS 15 13.030 11.625 11.595 120 HG2 LYS 15 HG2 LYS 15 13.871 12.084 13.939 121 HG3 LYS 15 HG3 LYS 15 12.700 10.881 14.483 122 HD2 LYS 15 HD2 LYS 15 14.747 10.316 12.350 123 HD3 LYS 15 HD3 LYS 15 15.059 10.050 14.067 124 HE2 LYS 15 HE2 LYS 15 12.673 8.794 13.773 125 HE3 LYS 15 HE3 LYS 15 13.389 8.529 12.182 126 HZ1 LYS 15 HZ1 LYS 15 14.144 6.735 13.389 127 HZ2 LYS 15 HZ2 LYS 15 14.344 7.622 14.816 128 HZ3 LYS 15 HZ3 LYS 15 15.441 7.811 13.541 129 H LEU 16 H LEU 16 9.135 13.166 12.444 130 HA LEU 16 HA LEU 16 8.621 12.719 15.303 131 HB2 LEU 16 HB2 LEU 16 6.631 13.838 13.365 132 HB3 LEU 16 HB3 LEU 16 6.700 14.027 15.116 133 HG LEU 16 HG LEU 16 8.327 15.429 13.017 134 HD11 LEU 16 HD11 LEU 16 6.971 17.130 13.439 135 HD12 LEU 16 HD12 LEU 16 7.314 17.031 15.166 136 HD13 LEU 16 HD13 LEU 16 6.012 16.068 14.468 137 HD21 LEU 16 HD21 LEU 16 10.083 15.269 14.396 138 HD22 LEU 16 HD22 LEU 16 9.095 14.714 15.748 139 HD23 LEU 16 HD23 LEU 16 9.214 16.438 15.391 140 H PHE 17 H PHE 17 9.091 10.402 14.123 141 HA PHE 17 HA PHE 17 6.536 9.073 14.253 142 HB2 PHE 17 HB2 PHE 17 6.571 8.054 12.092 143 HB3 PHE 17 HB3 PHE 17 6.779 9.785 11.841 144 HD1 PHE 17 HD1 PHE 17 8.665 6.600 12.104 145 HD2 PHE 17 HD2 PHE 17 8.591 10.592 10.629 146 HE1 PHE 17 HE1 PHE 17 10.718 6.161 10.818 147 HE2 PHE 17 HE2 PHE 17 10.642 10.158 9.342 148 HZ PHE 17 HZ PHE 17 11.708 7.941 9.435 149 H LYS 18 H LYS 18 6.781 6.691 14.191 150 HA LYS 18 HA LYS 18 9.440 5.893 15.178 151 HB2 LYS 18 HB2 LYS 18 6.684 5.251 16.099 152 HB3 LYS 18 HB3 LYS 18 7.894 3.980 16.219 153 HG2 LYS 18 HG2 LYS 18 8.497 6.698 17.292 154 HG3 LYS 18 HG3 LYS 18 7.483 5.589 18.219 155 HD2 LYS 18 HD2 LYS 18 9.745 4.146 17.280 156 HD3 LYS 18 HD3 LYS 18 10.318 5.649 18.009 157 HE2 LYS 18 HE2 LYS 18 8.748 5.068 19.954 158 HE3 LYS 18 HE3 LYS 18 8.696 3.450 19.253 159 HZ1 LYS 18 HZ1 LYS 18 10.394 3.477 20.887 160 HZ2 LYS 18 HZ2 LYS 18 11.080 4.892 20.267 161 HZ3 LYS 18 HZ3 LYS 18 11.169 3.453 19.383 162 H ALA 19 H ALA 19 9.854 3.493 14.930 163 HA ALA 19 HA ALA 19 9.354 2.779 12.161 164 HB1 ALA 19 HB1 ALA 19 11.291 1.667 12.256 165 HB2 ALA 19 HB2 ALA 19 11.533 2.502 13.791 166 HB3 ALA 19 HB3 ALA 19 10.866 0.870 13.771 167 H GLY 20 H GLY 20 7.444 1.833 11.772 168 HA2 GLY 20 HA2 GLY 20 6.214 -0.216 11.712 169 HA3 GLY 20 HA3 GLY 20 6.783 -0.566 13.337 170 H ASP 21 H ASP 21 6.044 2.544 13.589 171 HA ASP 21 HA ASP 21 3.584 2.042 14.950 172 HB2 ASP 21 HB2 ASP 21 5.541 4.053 14.980 173 HB3 ASP 21 HB3 ASP 21 4.062 4.849 14.448 174 H LYS 22 H LYS 22 1.985 4.188 14.441 175 HA LYS 22 HA LYS 22 1.103 3.668 11.680 176 HB2 LYS 22 HB2 LYS 22 -0.356 4.083 14.243 177 HB3 LYS 22 HB3 LYS 22 -1.109 4.682 12.770 178 HG2 LYS 22 HG2 LYS 22 -0.404 2.186 12.000 179 HG3 LYS 22 HG3 LYS 22 -0.725 1.931 13.716 180 HD2 LYS 22 HD2 LYS 22 -2.625 3.310 11.823 181 HD3 LYS 22 HD3 LYS 22 -2.710 1.596 12.238 182 HE2 LYS 22 HE2 LYS 22 -2.642 2.634 14.702 183 HE3 LYS 22 HE3 LYS 22 -3.387 3.986 13.851 184 HZ1 LYS 22 HZ1 LYS 22 -4.581 1.531 13.081 185 HZ2 LYS 22 HZ2 LYS 22 -5.301 2.900 13.765 186 HZ3 LYS 22 HZ3 LYS 22 -4.637 1.705 14.763 187 H VAL 23 H VAL 23 -0.106 5.484 10.651 188 HA VAL 23 HA VAL 23 1.012 8.095 11.444 189 HB VAL 23 HB VAL 23 1.271 8.719 9.138 190 HG11 VAL 23 HG11 VAL 23 3.123 7.496 10.164 191 HG12 VAL 23 HG12 VAL 23 2.435 5.973 9.596 192 HG13 VAL 23 HG13 VAL 23 3.017 7.166 8.434 193 HG21 VAL 23 HG21 VAL 23 0.115 6.011 8.480 194 HG22 VAL 23 HG22 VAL 23 -0.640 7.577 8.185 195 HG23 VAL 23 HG23 VAL 23 0.822 7.123 7.308 196 H LYS 24 H LYS 24 -0.223 9.883 10.090 197 HA LYS 24 HA LYS 24 -3.103 9.289 10.136 198 HB2 LYS 24 HB2 LYS 24 -1.624 11.146 11.820 199 HB3 LYS 24 HB3 LYS 24 -2.906 11.949 10.922 200 HG2 LYS 24 HG2 LYS 24 -3.648 9.417 12.232 201 HG3 LYS 24 HG3 LYS 24 -3.260 10.764 13.305 202 HD2 LYS 24 HD2 LYS 24 -5.484 11.168 12.995 203 HD3 LYS 24 HD3 LYS 24 -4.839 12.071 11.623 204 HE2 LYS 24 HE2 LYS 24 -6.670 10.758 10.835 205 HE3 LYS 24 HE3 LYS 24 -5.186 10.033 10.221 206 HZ1 LYS 24 HZ1 LYS 24 -7.093 8.631 11.397 207 HZ2 LYS 24 HZ2 LYS 24 -6.172 9.014 12.762 208 HZ3 LYS 24 HZ3 LYS 24 -5.461 8.190 11.467 209 H LYS 25 H LYS 25 -4.237 11.486 9.282 210 HA LYS 25 HA LYS 25 -3.223 11.777 6.581 211 HB2 LYS 25 HB2 LYS 25 -5.780 12.390 7.983 212 HB3 LYS 25 HB3 LYS 25 -5.400 13.307 6.530 213 HG2 LYS 25 HG2 LYS 25 -5.047 10.403 6.287 214 HG3 LYS 25 HG3 LYS 25 -6.707 10.940 6.556 215 HD2 LYS 25 HD2 LYS 25 -6.601 12.393 4.638 216 HD3 LYS 25 HD3 LYS 25 -4.886 12.039 4.417 217 HE2 LYS 25 HE2 LYS 25 -5.567 10.464 2.984 218 HE3 LYS 25 HE3 LYS 25 -6.019 9.542 4.416 219 HZ1 LYS 25 HZ1 LYS 25 -7.944 9.533 3.179 220 HZ2 LYS 25 HZ2 LYS 25 -7.731 11.111 2.608 221 HZ3 LYS 25 HZ3 LYS 25 -8.217 10.849 4.207 222 H GLY 26 H GLY 26 -1.399 13.068 6.759 223 HA2 GLY 26 HA2 GLY 26 -0.649 15.292 6.323 224 HA3 GLY 26 HA3 GLY 26 -1.976 15.897 7.304 225 H GLN 27 H GLN 27 -0.918 13.437 9.081 226 HA GLN 27 HA GLN 27 0.171 14.934 11.125 227 HB2 GLN 27 HB2 GLN 27 -0.396 12.247 10.696 228 HB3 GLN 27 HB3 GLN 27 1.333 12.268 11.019 229 HG2 GLN 27 HG2 GLN 27 0.814 13.624 13.076 230 HG3 GLN 27 HG3 GLN 27 -0.885 13.262 12.782 231 HE21 GLN 27 HE21 GLN 27 2.184 11.472 12.781 232 HE22 GLN 27 HE22 GLN 27 1.612 10.157 13.742 233 H THR 28 H THR 28 2.379 14.920 11.997 234 HA THR 28 HA THR 28 4.293 15.479 9.874 235 HB THR 28 HB THR 28 5.126 15.792 12.697 236 HG1 THR 28 HG1 THR 28 3.263 17.623 11.578 237 HG21 THR 28 HG21 THR 28 5.600 17.010 10.079 238 HG22 THR 28 HG22 THR 28 6.661 16.894 11.483 239 HG23 THR 28 HG23 THR 28 5.458 18.179 11.390 240 H LEU 29 H LEU 29 6.018 14.255 9.398 241 HA LEU 29 HA LEU 29 6.755 12.088 11.244 242 HB2 LEU 29 HB2 LEU 29 6.506 11.850 8.249 243 HB3 LEU 29 HB3 LEU 29 7.089 10.592 9.338 244 HG LEU 29 HG LEU 29 4.820 10.599 10.409 245 HD11 LEU 29 HD11 LEU 29 3.571 12.395 9.945 246 HD12 LEU 29 HD12 LEU 29 3.171 11.545 8.454 247 HD13 LEU 29 HD13 LEU 29 4.457 12.752 8.463 248 HD21 LEU 29 HD21 LEU 29 4.256 8.908 9.060 249 HD22 LEU 29 HD22 LEU 29 5.742 9.287 8.189 250 HD23 LEU 29 HD23 LEU 29 4.202 9.942 7.633 251 H PHE 30 H PHE 30 7.770 13.740 8.250 252 HA PHE 30 HA PHE 30 10.525 13.723 9.299 253 HB2 PHE 30 HB2 PHE 30 9.444 13.062 6.622 254 HB3 PHE 30 HB3 PHE 30 10.919 14.023 6.641 255 HD1 PHE 30 HD1 PHE 30 12.474 13.010 8.798 256 HD2 PHE 30 HD2 PHE 30 9.945 10.884 6.115 257 HE1 PHE 30 HE1 PHE 30 13.799 10.971 9.170 258 HE2 PHE 30 HE2 PHE 30 11.265 8.842 6.483 259 HZ PHE 30 HZ PHE 30 13.194 8.882 8.012 260 H ILE 31 H ILE 31 11.885 15.521 8.546 261 HA ILE 31 HA ILE 31 10.498 17.894 7.607 262 HB ILE 31 HB ILE 31 12.016 18.007 10.210 263 HG12 ILE 31 HG12 ILE 31 9.037 17.877 9.710 264 HG13 ILE 31 HG13 ILE 31 10.011 16.722 10.611 265 HG21 ILE 31 HG21 ILE 31 11.383 19.987 8.401 266 HG22 ILE 31 HG22 ILE 31 10.106 20.113 9.610 267 HG23 ILE 31 HG23 ILE 31 11.797 20.224 10.099 268 HD11 ILE 31 HD11 ILE 31 10.539 18.681 12.170 269 HD12 ILE 31 HD12 ILE 31 9.174 19.484 11.392 270 HD13 ILE 31 HD13 ILE 31 8.931 17.962 12.248 271 H ILE 32 H ILE 32 11.763 18.400 5.936 272 HA ILE 32 HA ILE 32 14.673 18.516 6.388 273 HB ILE 32 HB ILE 32 13.142 17.665 3.948 274 HG12 ILE 32 HG12 ILE 32 15.578 16.238 4.594 275 HG13 ILE 32 HG13 ILE 32 14.503 16.306 5.986 276 HG21 ILE 32 HG21 ILE 32 15.493 17.650 2.873 277 HG22 ILE 32 HG22 ILE 32 14.596 19.165 2.944 278 HG23 ILE 32 HG23 ILE 32 15.884 18.849 4.106 279 HD11 ILE 32 HD11 ILE 32 14.272 14.795 3.506 280 HD12 ILE 32 HD12 ILE 32 13.554 14.503 5.091 281 HD13 ILE 32 HD13 ILE 32 12.791 15.632 3.972 282 H GLU 33 H GLU 33 15.783 20.296 5.645 283 HA GLU 33 HA GLU 33 14.102 22.562 4.815 284 HB2 GLU 33 HB2 GLU 33 15.505 23.994 5.958 285 HB3 GLU 33 HB3 GLU 33 15.588 22.558 6.969 286 HG2 GLU 33 HG2 GLU 33 17.655 21.950 5.570 287 HG3 GLU 33 HG3 GLU 33 17.627 23.639 5.067 288 H GLN 34 H GLN 34 14.888 24.015 3.207 289 HA GLN 34 HA GLN 34 16.725 22.725 1.305 290 HB2 GLN 34 HB2 GLN 34 14.373 24.558 0.897 291 HB3 GLN 34 HB3 GLN 34 15.574 24.305 -0.362 292 HG2 GLN 34 HG2 GLN 34 14.141 22.692 -0.993 293 HG3 GLN 34 HG3 GLN 34 15.019 21.756 0.215 294 HE21 GLN 34 HE21 GLN 34 14.010 21.162 2.085 295 HE22 GLN 34 HE22 GLN 34 12.325 21.402 2.376 296 H ASP 35 H ASP 35 17.852 24.351 -0.168 297 HA ASP 35 HA ASP 35 18.326 26.993 0.562 298 HB2 ASP 35 HB2 ASP 35 19.435 25.299 2.453 299 HB3 ASP 35 HB3 ASP 35 20.797 25.686 1.405 300 H GLN 36 H GLN 36 18.119 25.243 -1.741 301 HA GLN 36 HA GLN 36 20.726 25.113 -2.956 302 HB2 GLN 36 HB2 GLN 36 18.119 24.842 -4.428 303 HB3 GLN 36 HB3 GLN 36 19.669 24.098 -4.796 304 HG2 GLN 36 HG2 GLN 36 19.465 22.669 -2.840 305 HG3 GLN 36 HG3 GLN 36 17.931 23.434 -2.429 306 HE21 GLN 36 HE21 GLN 36 16.197 22.374 -3.039 307 HE22 GLN 36 HE22 GLN 36 16.088 21.263 -4.358 308 H ALA 37 H ALA 37 18.487 27.551 -2.470 309 HA ALA 37 HA ALA 37 18.368 29.018 -4.785 310 HB1 ALA 37 HB1 ALA 37 18.893 30.749 -2.528 311 HB2 ALA 37 HB2 ALA 37 17.416 30.539 -3.470 312 HB3 ALA 37 HB3 ALA 37 17.759 29.463 -2.116 313 H SER 38 H SER 38 21.005 28.935 -2.420 314 HA SER 38 HA SER 38 23.035 29.376 -4.278 315 HB2 SER 38 HB2 SER 38 21.633 31.752 -3.713 316 HB3 SER 38 HB3 SER 38 23.151 31.866 -2.822 317 HG SER 38 HG SER 38 22.695 31.750 -5.571 318 H LYS 39 H LYS 39 24.963 30.668 -2.869 319 HA LYS 39 HA LYS 39 25.281 28.907 -0.550 320 HB2 LYS 39 HB2 LYS 39 27.400 30.635 -1.824 321 HB3 LYS 39 HB3 LYS 39 27.632 29.264 -0.748 322 HG2 LYS 39 HG2 LYS 39 26.878 29.291 -3.637 323 HG3 LYS 39 HG3 LYS 39 28.155 28.388 -2.818 324 HD2 LYS 39 HD2 LYS 39 26.149 27.251 -1.582 325 HD3 LYS 39 HD3 LYS 39 25.225 27.825 -2.971 326 HE2 LYS 39 HE2 LYS 39 26.966 26.710 -4.425 327 HE3 LYS 39 HE3 LYS 39 27.585 25.957 -2.956 328 HZ1 LYS 39 HZ1 LYS 39 25.070 25.470 -4.377 329 HZ2 LYS 39 HZ2 LYS 39 25.086 25.274 -2.698 330 HZ3 LYS 39 HZ3 LYS 39 26.136 24.366 -3.665 331 H ASP 40 H ASP 40 26.046 32.287 -1.410 332 HA ASP 40 HA ASP 40 25.955 33.003 1.420 333 HB2 ASP 40 HB2 ASP 40 27.722 33.766 -0.405 334 HB3 ASP 40 HB3 ASP 40 26.516 35.011 -0.715 335 H PHE 41 H PHE 41 23.495 32.274 0.269 336 HA PHE 41 HA PHE 41 22.038 34.788 0.608 337 HB2 PHE 41 HB2 PHE 41 21.819 32.931 -1.749 338 HB3 PHE 41 HB3 PHE 41 20.466 33.949 -1.265 339 HD1 PHE 41 HD1 PHE 41 23.832 33.889 -2.683 340 HD2 PHE 41 HD2 PHE 41 20.552 36.347 -1.537 341 HE1 PHE 41 HE1 PHE 41 24.797 35.763 -3.953 342 HE2 PHE 41 HE2 PHE 41 21.510 38.224 -2.807 343 HZ PHE 41 HZ PHE 41 23.634 37.933 -4.017 344 H ASN 42 H ASN 42 21.508 33.984 2.678 345 HA ASN 42 HA ASN 42 19.064 32.673 2.887 346 HB2 ASN 42 HB2 ASN 42 19.480 30.473 3.041 347 HB3 ASN 42 HB3 ASN 42 21.066 30.827 2.363 348 HD21 ASN 42 HD21 ASN 42 22.499 31.887 4.265 349 H ARG 43 H ARG 43 18.686 31.884 5.243 350 HA ARG 43 HA ARG 43 20.279 33.506 7.108 351 HB2 ARG 43 HB2 ARG 43 17.417 33.725 6.475 352 HB3 ARG 43 HB3 ARG 43 17.771 33.632 8.195 353 HG2 ARG 43 HG2 ARG 43 18.237 35.791 8.175 354 HG3 ARG 43 HG3 ARG 43 19.607 35.460 7.113 355 HD2 ARG 43 HD2 ARG 43 18.231 35.754 5.163 356 HD3 ARG 43 HD3 ARG 43 16.783 35.905 6.157 357 HE ARG 43 HE ARG 43 18.599 37.885 6.936 358 HH11 ARG 43 HH11 ARG 43 16.628 37.022 4.199 359 HH12 ARG 43 HH12 ARG 43 16.430 38.657 3.661 360 HH21 ARG 43 HH21 ARG 43 18.346 40.041 6.237 361 HH22 ARG 43 HH22 ARG 43 17.408 40.374 4.820 362 H SER 44 H SER 44 21.238 31.345 7.461 363 HA SER 44 HA SER 44 19.543 29.615 9.134 364 HB2 SER 44 HB2 SER 44 20.583 28.557 7.131 365 HB3 SER 44 HB3 SER 44 22.172 28.930 7.797 366 HG SER 44 HG SER 44 21.658 26.848 8.387 367 H LYS 45 H LYS 45 20.082 31.558 10.656 368 HA LYS 45 HA LYS 45 22.525 32.009 11.810 369 HB2 LYS 45 HB2 LYS 45 21.110 32.339 13.981 370 HB3 LYS 45 HB3 LYS 45 20.856 33.402 12.603 371 HG2 LYS 45 HG2 LYS 45 19.154 31.137 12.330 372 HG3 LYS 45 HG3 LYS 45 18.968 31.801 13.954 373 HD2 LYS 45 HD2 LYS 45 17.578 33.286 13.027 374 HD3 LYS 45 HD3 LYS 45 19.022 34.047 12.354 375 HE2 LYS 45 HE2 LYS 45 18.772 32.917 10.294 376 HE3 LYS 45 HE3 LYS 45 17.574 31.808 10.963 377 HZ1 LYS 45 HZ1 LYS 45 16.460 34.239 11.376 378 HZ2 LYS 45 HZ2 LYS 45 16.092 33.204 10.091 379 HZ3 LYS 45 HZ3 LYS 45 17.221 34.446 9.880 380 H ALA 46 H ALA 46 20.130 29.624 12.957 381 HA ALA 46 HA ALA 46 22.032 27.606 13.441 382 HB1 ALA 46 HB1 ALA 46 22.862 28.088 15.439 383 HB2 ALA 46 HB2 ALA 46 21.946 29.595 15.457 384 HB3 ALA 46 HB3 ALA 46 21.235 28.124 16.118 385 H LEU 47 H LEU 47 21.019 25.956 15.146 386 HA LEU 47 HA LEU 47 18.103 25.910 14.833 387 HB2 LEU 47 HB2 LEU 47 19.839 23.506 14.318 388 HB3 LEU 47 HB3 LEU 47 18.098 23.646 14.081 389 HG LEU 47 HG LEU 47 19.242 25.614 12.447 390 HD11 LEU 47 HD11 LEU 47 20.602 23.004 11.877 391 HD12 LEU 47 HD12 LEU 47 21.368 24.248 12.864 392 HD13 LEU 47 HD13 LEU 47 20.925 24.597 11.193 393 HD21 LEU 47 HD21 LEU 47 18.013 22.917 11.946 394 HD22 LEU 47 HD22 LEU 47 18.477 24.003 10.636 395 HD23 LEU 47 HD23 LEU 47 17.263 24.508 11.814 396 H PHE 48 H PHE 48 17.656 26.205 16.966 397 HA PHE 48 HA PHE 48 17.688 25.872 19.240 398 HB2 PHE 48 HB2 PHE 48 17.130 23.487 19.825 399 HB3 PHE 48 HB3 PHE 48 16.097 24.203 18.593 400 HD1 PHE 48 HD2 PHE 48 18.705 21.734 19.273 401 HD2 PHE 48 HD1 PHE 48 16.178 23.443 16.304 402 HE1 PHE 48 HE2 PHE 48 19.216 19.860 17.764 403 HE2 PHE 48 HE1 PHE 48 16.684 21.570 14.791 404 HZ PHE 48 HZ PHE 48 18.205 19.776 15.520 405 H SER 49 H SER 49 20.301 26.157 18.264 406 HA SER 49 HA SER 49 21.889 24.081 19.558 407 HB2 SER 49 HB2 SER 49 22.444 26.294 17.643 408 HB3 SER 49 HB3 SER 49 23.759 25.784 18.701 409 HG SER 49 HG SER 49 24.000 24.356 17.149 410 H GLN 50 H GLN 50 22.274 27.617 19.539 411 HA GLN 50 HA GLN 50 22.578 27.510 22.468 412 HB2 GLN 50 HB2 GLN 50 24.535 28.197 20.601 413 HB3 GLN 50 HB3 GLN 50 23.969 29.737 21.234 414 HG2 GLN 50 HG2 GLN 50 24.803 29.357 23.301 415 HG3 GLN 50 HG3 GLN 50 24.542 27.616 23.208 416 HE21 GLN 50 HE21 GLN 50 26.829 29.986 23.257 417 HE22 GLN 50 HE22 GLN 50 28.153 29.119 22.564 418 H SER 51 H SER 51 20.930 28.511 23.400 419 HA SER 51 HA SER 51 19.252 29.986 23.835 420 HB2 SER 51 HB2 SER 51 21.401 31.481 23.703 421 HB3 SER 51 HB3 SER 51 20.669 32.074 22.213 422 HG SER 51 HG SER 51 19.177 33.077 23.332 423 H ALA 52 H ALA 52 19.237 28.414 21.307 424 HA ALA 52 HA ALA 52 17.585 30.154 19.610 425 HB1 ALA 52 HB1 ALA 52 19.367 27.879 19.088 426 HB2 ALA 52 HB2 ALA 52 17.859 27.874 18.172 427 HB3 ALA 52 HB3 ALA 52 18.949 29.255 18.067 428 H ILE 53 H ILE 53 17.489 27.394 21.691 429 HA ILE 53 HA ILE 53 15.844 25.883 22.214 430 HB ILE 53 HB ILE 53 13.781 26.877 22.922 431 HG12 ILE 53 HG12 ILE 53 14.562 29.376 21.411 432 HG13 ILE 53 HG13 ILE 53 13.425 28.180 20.798 433 HG21 ILE 53 HG21 ILE 53 15.687 29.120 23.386 434 HG22 ILE 53 HG22 ILE 53 14.612 28.302 24.519 435 HG23 ILE 53 HG23 ILE 53 16.093 27.510 23.978 436 HD11 ILE 53 HD11 ILE 53 12.133 29.910 21.725 437 HD12 ILE 53 HD12 ILE 53 12.075 28.588 22.891 438 HD13 ILE 53 HD13 ILE 53 13.124 29.975 23.182 439 H SER 54 H SER 54 13.141 25.762 21.584 440 HA SER 54 HA SER 54 13.277 25.044 18.736 441 HB2 SER 54 HB2 SER 54 12.498 23.539 20.938 442 HB3 SER 54 HB3 SER 54 10.970 24.014 20.195 443 HG SER 54 HG SER 54 11.444 22.306 19.012 444 H GLN 55 H GLN 55 10.645 24.816 18.103 445 HA GLN 55 HA GLN 55 9.899 27.556 17.725 446 HB2 GLN 55 HB2 GLN 55 8.466 24.995 17.001 447 HB3 GLN 55 HB3 GLN 55 7.968 26.602 16.489 448 HG2 GLN 55 HG2 GLN 55 10.739 25.719 15.885 449 HG3 GLN 55 HG3 GLN 55 9.411 25.048 14.940 450 HE21 GLN 55 HE21 GLN 55 11.690 27.126 14.575 451 HE22 GLN 55 HE22 GLN 55 10.897 28.414 13.742 452 H LYS 56 H LYS 56 9.457 25.452 20.248 453 HA LYS 56 HA LYS 56 6.834 25.708 21.059 454 HB2 LYS 56 HB2 LYS 56 7.786 25.569 23.415 455 HB3 LYS 56 HB3 LYS 56 8.228 24.272 22.313 456 HG2 LYS 56 HG2 LYS 56 10.412 25.030 22.095 457 HG3 LYS 56 HG3 LYS 56 10.009 26.649 22.669 458 HD2 LYS 56 HD2 LYS 56 9.713 25.845 24.911 459 HD3 LYS 56 HD3 LYS 56 9.888 24.170 24.382 460 HE2 LYS 56 HE2 LYS 56 12.188 25.391 23.460 461 HE3 LYS 56 HE3 LYS 56 11.919 26.148 25.030 462 HZ1 LYS 56 HZ1 LYS 56 11.881 24.010 26.070 463 HZ2 LYS 56 HZ2 LYS 56 13.286 24.113 25.135 464 HZ3 LYS 56 HZ3 LYS 56 11.966 23.214 24.578 465 H GLU 57 H GLU 57 9.395 28.073 21.132 466 HA GLU 57 HA GLU 57 7.464 30.049 22.141 467 HB2 GLU 57 HB2 GLU 57 10.213 29.455 23.119 468 HB3 GLU 57 HB3 GLU 57 9.706 31.137 23.079 469 HG2 GLU 57 HG2 GLU 57 7.577 30.120 24.296 470 HG3 GLU 57 HG3 GLU 57 8.763 28.908 24.779 471 H TYR 58 H TYR 58 8.749 29.174 19.471 472 HA TYR 58 HA TYR 58 9.381 31.906 18.590 473 HB2 TYR 58 HB2 TYR 58 11.002 29.441 18.271 474 HB3 TYR 58 HB3 TYR 58 10.896 30.500 16.869 475 HD1 TYR 58 HD2 TYR 58 11.160 33.124 17.619 476 HD2 TYR 58 HD1 TYR 58 12.858 29.756 19.588 477 HE1 TYR 58 HE2 TYR 58 12.904 34.570 18.575 478 HE2 TYR 58 HE1 TYR 58 14.606 31.193 20.551 479 HH TYR 58 HH TYR 58 15.112 33.422 21.009 480 H ASP 59 H ASP 59 8.329 32.551 16.810 481 HA ASP 59 HA ASP 59 6.575 30.609 15.496 482 HB2 ASP 59 HB2 ASP 59 6.099 33.164 16.432 483 HB3 ASP 59 HB3 ASP 59 6.282 33.408 14.697 484 H SER 60 H SER 60 6.229 30.905 13.122 485 HA SER 60 HA SER 60 8.794 30.883 11.799 486 HB2 SER 60 HB2 SER 60 6.738 30.672 9.878 487 HB3 SER 60 HB3 SER 60 7.714 29.367 10.551 488 HG SER 60 HG SER 60 5.670 28.805 11.038 489 H SER 61 H SER 61 6.007 32.981 12.005 490 HA SER 61 HA SER 61 6.347 34.595 9.789 491 HB2 SER 61 HB2 SER 61 5.180 34.986 12.498 492 HB3 SER 61 HB3 SER 61 5.496 36.434 11.542 493 HG SER 61 HG SER 61 3.905 34.203 10.800 494 H LEU 62 H LEU 62 8.187 34.487 12.747 495 HA LEU 62 HA LEU 62 9.709 36.863 11.954 496 HB2 LEU 62 HB2 LEU 62 10.510 36.985 14.157 497 HB3 LEU 62 HB3 LEU 62 8.798 36.587 14.292 498 HG LEU 62 HG LEU 62 10.086 34.123 14.311 499 HD11 LEU 62 HD11 LEU 62 11.576 34.713 16.425 500 HD12 LEU 62 HD12 LEU 62 11.763 36.231 15.549 501 HD13 LEU 62 HD13 LEU 62 12.229 34.710 14.787 502 HD21 LEU 62 HD21 LEU 62 8.821 35.888 16.367 503 HD22 LEU 62 HD22 LEU 62 9.541 34.349 16.840 504 HD23 LEU 62 HD23 LEU 62 8.228 34.383 15.662 505 H ALA 63 H ALA 63 9.912 33.422 12.180 506 HA ALA 63 HA ALA 63 12.786 33.296 12.062 507 HB1 ALA 63 HB1 ALA 63 11.054 31.550 12.988 508 HB2 ALA 63 HB2 ALA 63 11.076 30.974 11.322 509 HB3 ALA 63 HB3 ALA 63 12.570 31.025 12.258 510 H THR 64 H THR 64 13.729 31.831 10.250 511 HA THR 64 HA THR 64 12.605 32.648 7.653 512 HB THR 64 HB THR 64 14.766 33.145 6.774 513 HG1 THR 64 HG1 THR 64 16.377 32.046 7.586 514 HG21 THR 64 HG21 THR 64 15.514 34.992 8.212 515 HG22 THR 64 HG22 THR 64 14.527 34.359 9.530 516 HG23 THR 64 HG23 THR 64 13.758 34.958 8.060 517 H LEU 65 H LEU 65 14.394 31.415 5.988 518 HA LEU 65 HA LEU 65 14.855 29.427 4.988 519 HB2 LEU 65 HB2 LEU 65 14.984 28.482 7.847 520 HB3 LEU 65 HB3 LEU 65 15.497 27.532 6.453 521 HG LEU 65 HG LEU 65 16.758 30.050 7.525 522 HD11 LEU 65 HD11 LEU 65 17.917 28.563 8.709 523 HD12 LEU 65 HD12 LEU 65 18.664 28.083 7.186 524 HD13 LEU 65 HD13 LEU 65 17.262 27.205 7.794 525 HD21 LEU 65 HD21 LEU 65 18.352 29.872 5.689 526 HD22 LEU 65 HD22 LEU 65 16.717 30.132 5.083 527 HD23 LEU 65 HD23 LEU 65 17.437 28.523 5.014 528 H ASP 66 H ASP 66 13.129 28.787 3.852 529 HA ASP 66 HA ASP 66 10.685 27.935 5.083 530 HB2 ASP 66 HB2 ASP 66 11.677 28.349 2.325 531 HB3 ASP 66 HB3 ASP 66 10.404 27.145 2.511 532 H HIS 67 H HIS 67 10.987 26.122 6.308 533 HA HIS 67 HA HIS 67 12.390 23.826 5.241 534 HB2 HIS 67 HB2 HIS 67 10.762 23.726 7.752 535 HB3 HIS 67 HB3 HIS 67 12.285 22.924 7.377 536 HD1 HIS 67 HD1 HIS 67 11.122 25.356 9.559 537 HD2 HIS 67 HD2 HIS 67 14.345 25.235 6.941 538 HE1 HIS 67 HE1 HIS 67 12.739 27.089 10.403 539 H THR 68 H THR 68 11.507 21.965 4.488 540 HA THR 68 HA THR 68 8.646 22.029 3.899 541 HB THR 68 HB THR 68 10.845 20.242 2.845 542 HG1 THR 68 HG1 THR 68 9.562 22.571 1.945 543 HG21 THR 68 HG21 THR 68 7.882 20.274 2.326 544 HG22 THR 68 HG22 THR 68 8.904 18.909 2.775 545 HG23 THR 68 HG23 THR 68 9.029 19.611 1.163 546 H GLU 69 H GLU 69 7.633 21.374 5.760 547 HA GLU 69 HA GLU 69 8.511 19.146 7.311 548 HB2 GLU 69 HB2 GLU 69 6.287 19.393 8.435 549 HB3 GLU 69 HB3 GLU 69 7.255 20.860 8.412 550 HG2 GLU 69 HG2 GLU 69 5.652 20.878 6.088 551 HG3 GLU 69 HG3 GLU 69 4.615 20.440 7.444 552 H ILE 70 H ILE 70 8.498 17.160 6.475 553 HA ILE 70 HA ILE 70 6.632 16.325 4.471 554 HB ILE 70 HB ILE 70 8.669 14.777 6.072 555 HG12 ILE 70 HG12 ILE 70 9.469 14.672 3.486 556 HG13 ILE 70 HG13 ILE 70 8.660 16.236 3.496 557 HG21 ILE 70 HG21 ILE 70 8.183 13.178 3.979 558 HG22 ILE 70 HG22 ILE 70 7.350 13.023 5.525 559 HG23 ILE 70 HG23 ILE 70 6.578 13.877 4.189 560 HD11 ILE 70 HD11 ILE 70 10.981 15.359 5.186 561 HD12 ILE 70 HD12 ILE 70 10.948 16.617 3.950 562 HD13 ILE 70 HD13 ILE 70 10.077 16.848 5.465 563 H LYS 71 H LYS 71 4.753 15.276 4.691 564 HA LYS 71 HA LYS 71 4.038 14.239 7.353 565 HB2 LYS 71 HB2 LYS 71 2.234 15.736 5.444 566 HB3 LYS 71 HB3 LYS 71 1.721 14.995 6.954 567 HG2 LYS 71 HG2 LYS 71 2.795 16.577 8.249 568 HG3 LYS 71 HG3 LYS 71 3.905 17.033 6.955 569 HD2 LYS 71 HD2 LYS 71 0.987 17.487 6.558 570 HD3 LYS 71 HD3 LYS 71 1.873 18.576 7.628 571 HE2 LYS 71 HE2 LYS 71 2.048 19.635 5.577 572 HE3 LYS 71 HE3 LYS 71 3.559 18.731 5.670 573 HZ1 LYS 71 HZ1 LYS 71 2.908 17.293 4.054 574 HZ2 LYS 71 HZ2 LYS 71 2.040 18.651 3.546 575 HZ3 LYS 71 HZ3 LYS 71 1.262 17.427 4.414 576 H ALA 72 H ALA 72 2.208 12.662 7.269 577 HA ALA 72 HA ALA 72 2.766 10.668 5.287 578 HB1 ALA 72 HB1 ALA 72 1.327 10.815 7.820 579 HB2 ALA 72 HB2 ALA 72 0.552 9.768 6.629 580 HB3 ALA 72 HB3 ALA 72 2.227 9.480 7.102 581 HA PRO 73 HA PRO 73 -0.301 11.711 2.307 582 HB2 PRO 73 HB2 PRO 73 -0.652 9.272 1.168 583 HB3 PRO 73 HB3 PRO 73 0.789 10.261 0.897 584 HG2 PRO 73 HG2 PRO 73 0.399 7.950 2.761 585 HG3 PRO 73 HG3 PRO 73 1.777 8.316 1.706 586 HD2 PRO 73 HD2 PRO 73 1.793 8.848 4.361 587 HD3 PRO 73 HD3 PRO 73 2.658 9.853 3.181 588 H PHE 74 H PHE 74 -0.839 9.189 4.657 589 HA PHE 74 HA PHE 74 -3.481 9.924 5.184 590 HB2 PHE 74 HB2 PHE 74 -4.614 7.838 4.281 591 HB3 PHE 74 HB3 PHE 74 -4.156 9.044 3.082 592 HD1 PHE 74 HD2 PHE 74 -3.228 5.787 4.549 593 HD2 PHE 74 HD1 PHE 74 -2.635 8.537 1.355 594 HE1 PHE 74 HE2 PHE 74 -1.975 4.072 3.308 595 HE2 PHE 74 HE1 PHE 74 -1.381 6.826 0.109 596 HZ PHE 74 HZ PHE 74 -1.048 4.590 1.086 597 H ASP 75 H ASP 75 -4.428 8.695 6.866 598 HA ASP 75 HA ASP 75 -2.700 7.667 8.758 599 HB2 ASP 75 HB2 ASP 75 -4.606 7.007 9.995 600 HB3 ASP 75 HB3 ASP 75 -5.123 8.404 9.057 601 H GLY 76 H GLY 76 -1.724 5.765 9.100 602 HA2 GLY 76 HA2 GLY 76 -2.712 3.245 8.384 603 HA3 GLY 76 HA3 GLY 76 -1.646 3.788 7.096 604 H THR 77 H THR 77 0.128 2.567 7.323 605 HA THR 77 HA THR 77 1.375 2.446 9.992 606 HB THR 77 HB THR 77 1.899 0.510 7.739 607 HG1 THR 77 HG1 THR 77 -0.370 0.641 8.729 608 HG21 THR 77 HG21 THR 77 2.503 0.542 10.690 609 HG22 THR 77 HG22 THR 77 3.641 0.448 9.345 610 HG23 THR 77 HG23 THR 77 2.596 -0.923 9.713 611 H ILE 78 H ILE 78 3.716 2.471 10.058 612 HA ILE 78 HA ILE 78 4.941 3.816 7.743 613 HB ILE 78 HB ILE 78 4.558 5.505 9.429 614 HG12 ILE 78 HG12 ILE 78 7.448 5.017 9.877 615 HG13 ILE 78 HG13 ILE 78 6.918 5.062 8.199 616 HG21 ILE 78 HG21 ILE 78 4.312 4.471 11.467 617 HG22 ILE 78 HG22 ILE 78 5.737 3.458 11.247 618 HG23 ILE 78 HG23 ILE 78 5.923 5.168 11.635 619 HD11 ILE 78 HD11 ILE 78 6.167 7.240 10.104 620 HD12 ILE 78 HD12 ILE 78 7.734 7.230 9.294 621 HD13 ILE 78 HD13 ILE 78 6.250 7.277 8.343 622 H GLY 79 H GLY 79 7.076 3.316 7.291 623 HA2 GLY 79 HA2 GLY 79 7.982 0.776 8.344 624 HA3 GLY 79 HA3 GLY 79 8.722 1.692 7.038 625 H ASP 80 H ASP 80 10.767 1.178 8.018 626 HA ASP 80 HA ASP 80 11.328 2.632 10.508 627 HB2 ASP 80 HB2 ASP 80 13.547 1.292 10.305 628 HB3 ASP 80 HB3 ASP 80 12.083 0.449 10.807 629 H ALA 81 H ALA 81 12.900 4.194 10.624 630 HA ALA 81 HA ALA 81 13.362 5.828 8.442 631 HB1 ALA 81 HB1 ALA 81 14.396 5.619 11.171 632 HB2 ALA 81 HB2 ALA 81 15.505 6.388 10.034 633 HB3 ALA 81 HB3 ALA 81 13.880 7.036 10.256 634 H LEU 82 H LEU 82 14.599 5.651 6.699 635 HA LEU 82 HA LEU 82 16.514 3.492 6.494 636 HB2 LEU 82 HB2 LEU 82 15.177 5.363 4.636 637 HB3 LEU 82 HB3 LEU 82 16.771 4.784 4.157 638 HG LEU 82 HG LEU 82 16.019 2.518 4.121 639 HD11 LEU 82 HD11 LEU 82 14.598 2.536 6.081 640 HD12 LEU 82 HD12 LEU 82 13.710 1.905 4.695 641 HD13 LEU 82 HD13 LEU 82 13.422 3.554 5.250 642 HD21 LEU 82 HD21 LEU 82 15.021 4.505 2.449 643 HD22 LEU 82 HD22 LEU 82 13.626 3.493 2.827 644 HD23 LEU 82 HD23 LEU 82 15.074 2.772 2.123 645 H VAL 83 H VAL 83 16.563 7.038 6.284 646 HA VAL 83 HA VAL 83 19.497 6.962 6.460 647 HB VAL 83 HB VAL 83 19.424 9.334 5.762 648 HG11 VAL 83 HG11 VAL 83 17.811 7.946 3.697 649 HG12 VAL 83 HG12 VAL 83 19.339 8.817 3.549 650 HG13 VAL 83 HG13 VAL 83 19.316 7.179 4.205 651 HG21 VAL 83 HG21 VAL 83 17.527 10.464 6.039 652 HG22 VAL 83 HG22 VAL 83 16.872 9.583 4.659 653 HG23 VAL 83 HG23 VAL 83 16.611 8.979 6.296 654 H ASN 84 H ASN 84 20.282 9.151 7.581 655 HA ASN 84 HA ASN 84 18.992 9.183 10.227 656 HB2 ASN 84 HB2 ASN 84 21.855 9.844 9.499 657 HB3 ASN 84 HB3 ASN 84 21.178 9.850 11.125 658 HD21 ASN 84 HD21 ASN 84 22.538 7.978 8.626 659 HD22 ASN 84 HD22 ASN 84 22.454 6.443 9.414 660 H ILE 85 H ILE 85 20.011 11.394 11.355 661 HA ILE 85 HA ILE 85 18.690 13.514 9.853 662 HB ILE 85 HB ILE 85 19.719 13.442 12.691 663 HG12 ILE 85 HG12 ILE 85 16.940 13.332 11.505 664 HG13 ILE 85 HG13 ILE 85 17.759 12.060 12.404 665 HG21 ILE 85 HG21 ILE 85 19.874 15.697 11.795 666 HG22 ILE 85 HG22 ILE 85 18.197 15.613 11.254 667 HG23 ILE 85 HG23 ILE 85 18.570 15.590 12.978 668 HD11 ILE 85 HD11 ILE 85 17.740 13.517 14.397 669 HD12 ILE 85 HD12 ILE 85 16.811 14.703 13.479 670 HD13 ILE 85 HD13 ILE 85 16.127 13.111 13.809 671 H GLY 86 H GLY 86 19.651 15.462 9.290 672 HA2 GLY 86 HA2 GLY 86 21.370 16.981 8.930 673 HA3 GLY 86 HA3 GLY 86 22.426 15.974 9.906 674 H ASP 87 H ASP 87 20.754 14.322 7.436 675 HA ASP 87 HA ASP 87 23.208 14.293 5.805 676 HB2 ASP 87 HB2 ASP 87 21.818 12.165 6.963 677 HB3 ASP 87 HB3 ASP 87 21.369 12.114 5.261 678 H TYR 88 H TYR 88 23.094 14.661 3.639 679 HA TYR 88 HA TYR 88 20.862 16.107 2.650 680 HB2 TYR 88 HB2 TYR 88 23.066 16.635 1.835 681 HB3 TYR 88 HB3 TYR 88 23.302 14.988 1.261 682 HD1 TYR 88 HD1 TYR 88 22.201 14.210 -0.776 683 HD2 TYR 88 HD2 TYR 88 21.728 18.214 0.583 684 HE1 TYR 88 HE1 TYR 88 21.311 14.846 -2.979 685 HE2 TYR 88 HE2 TYR 88 20.836 18.861 -1.616 686 HH TYR 88 HH TYR 88 20.903 16.686 -4.338 687 H VAL 89 H VAL 89 19.297 15.550 1.175 688 HA VAL 89 HA VAL 89 19.202 12.776 0.234 689 HB VAL 89 HB VAL 89 16.742 12.718 0.804 690 HG11 VAL 89 HG11 VAL 89 18.490 12.891 3.244 691 HG12 VAL 89 HG12 VAL 89 17.112 11.826 2.956 692 HG13 VAL 89 HG13 VAL 89 18.620 11.578 2.074 693 HG21 VAL 89 HG21 VAL 89 17.006 14.529 3.049 694 HG22 VAL 89 HG22 VAL 89 17.177 15.367 1.506 695 HG23 VAL 89 HG23 VAL 89 15.729 14.415 1.837 696 H SER 90 H SER 90 17.947 12.447 -1.631 697 HA SER 90 HA SER 90 17.758 14.757 -3.332 698 HB2 SER 90 HB2 SER 90 17.934 11.919 -3.680 699 HB3 SER 90 HB3 SER 90 16.537 12.516 -4.576 700 HG SER 90 HG SER 90 18.153 14.204 -5.306 701 H ALA 91 H ALA 91 15.641 14.507 -4.899 702 HA ALA 91 HA ALA 91 13.518 15.564 -3.374 703 HB1 ALA 91 HB1 ALA 91 13.525 16.336 -5.543 704 HB2 ALA 91 HB2 ALA 91 13.842 14.740 -6.224 705 HB3 ALA 91 HB3 ALA 91 12.238 15.132 -5.606 706 H SER 92 H SER 92 12.768 12.990 -5.623 707 HA SER 92 HA SER 92 11.257 11.647 -3.495 708 HB2 SER 92 HB2 SER 92 9.674 11.858 -5.108 709 HB3 SER 92 HB3 SER 92 10.866 12.027 -6.396 710 HG SER 92 HG SER 92 10.478 10.024 -6.847 711 H THR 93 H THR 93 14.110 11.374 -5.232 712 HA THR 93 HA THR 93 14.264 8.565 -5.589 713 HB THR 93 HB THR 93 16.679 10.300 -5.149 714 HG1 THR 93 HG1 THR 93 16.472 10.776 -7.450 715 HG21 THR 93 HG21 THR 93 17.020 8.665 -7.364 716 HG22 THR 93 HG22 THR 93 16.117 7.663 -6.226 717 HG23 THR 93 HG23 THR 93 17.655 8.379 -5.743 718 H THR 94 H THR 94 14.664 10.625 -2.857 719 HA THR 94 HA THR 94 16.013 8.523 -1.326 720 HB THR 94 HB THR 94 15.410 11.394 -0.584 721 HG1 THR 94 HG1 THR 94 17.953 10.207 -1.014 722 HG21 THR 94 HG21 THR 94 17.424 10.076 1.011 723 HG22 THR 94 HG22 THR 94 15.884 9.221 1.112 724 HG23 THR 94 HG23 THR 94 15.971 10.933 1.525 725 H GLU 95 H GLU 95 14.480 7.042 -0.789 726 HA GLU 95 HA GLU 95 11.964 7.968 0.381 727 HB2 GLU 95 HB2 GLU 95 12.635 5.078 -0.017 728 HB3 GLU 95 HB3 GLU 95 11.070 5.876 -0.081 729 HG2 GLU 95 HG2 GLU 95 11.855 6.999 -2.192 730 HG3 GLU 95 HG3 GLU 95 13.240 5.909 -2.156 731 H LEU 96 H LEU 96 13.452 8.738 2.210 732 HA LEU 96 HA LEU 96 14.818 7.176 3.970 733 HB2 LEU 96 HB2 LEU 96 13.553 8.775 5.724 734 HB3 LEU 96 HB3 LEU 96 14.903 9.291 4.716 735 HG LEU 96 HG LEU 96 12.906 10.855 4.871 736 HD11 LEU 96 HD11 LEU 96 14.609 10.167 2.709 737 HD12 LEU 96 HD12 LEU 96 13.879 11.727 3.085 738 HD13 LEU 96 HD13 LEU 96 13.025 10.580 2.054 739 HD21 LEU 96 HD21 LEU 96 10.934 10.383 3.742 740 HD22 LEU 96 HD22 LEU 96 11.304 8.856 4.543 741 HD23 LEU 96 HD23 LEU 96 11.657 9.061 2.826 742 H VAL 97 H VAL 97 11.372 7.263 3.468 743 HA VAL 97 HA VAL 97 11.009 4.809 4.877 744 HB VAL 97 HB VAL 97 10.135 7.363 6.177 745 HG11 VAL 97 HG11 VAL 97 8.594 5.938 7.586 746 HG12 VAL 97 HG12 VAL 97 8.047 6.274 5.942 747 HG13 VAL 97 HG13 VAL 97 8.742 4.701 6.339 748 HG21 VAL 97 HG21 VAL 97 11.672 4.937 6.901 749 HG22 VAL 97 HG22 VAL 97 11.942 6.624 7.341 750 HG23 VAL 97 HG23 VAL 97 10.702 5.684 8.170 751 H ARG 98 H ARG 98 9.049 3.829 4.402 752 HA ARG 98 HA ARG 98 7.307 5.314 2.546 753 HB2 ARG 98 HB2 ARG 98 6.933 3.291 1.306 754 HB3 ARG 98 HB3 ARG 98 8.669 3.524 1.466 755 HG2 ARG 98 HG2 ARG 98 7.183 1.792 3.398 756 HG3 ARG 98 HG3 ARG 98 7.680 1.173 1.822 757 HD2 ARG 98 HD2 ARG 98 9.950 2.425 2.754 758 HD3 ARG 98 HD3 ARG 98 9.262 1.704 4.209 759 HE ARG 98 HE ARG 98 9.828 -0.359 3.405 760 HH11 ARG 98 HH11 ARG 98 9.911 1.936 0.789 761 HH12 ARG 98 HH12 ARG 98 10.593 0.817 -0.344 762 HH21 ARG 98 HH21 ARG 98 10.727 -1.841 1.923 763 HH22 ARG 98 HH22 ARG 98 11.057 -1.331 0.302 764 H VAL 99 H VAL 99 5.061 4.727 2.543 765 HA VAL 99 HA VAL 99 4.159 3.839 5.190 766 HB VAL 99 HB VAL 99 2.624 5.306 3.040 767 HG11 VAL 99 HG11 VAL 99 1.710 3.828 5.260 768 HG12 VAL 99 HG12 VAL 99 1.507 5.535 5.660 769 HG13 VAL 99 HG13 VAL 99 0.777 4.878 4.194 770 HG21 VAL 99 HG21 VAL 99 4.594 6.305 4.683 771 HG22 VAL 99 HG22 VAL 99 3.325 7.247 3.899 772 HG23 VAL 99 HG23 VAL 99 3.110 6.686 5.557 773 H THR 100 H THR 100 3.017 2.021 5.470 774 HA THR 100 HA THR 100 2.037 0.614 3.074 775 HB THR 100 HB THR 100 4.073 -0.477 3.957 776 HG1 THR 100 HG1 THR 100 3.122 -2.246 3.316 777 HG21 THR 100 HG21 THR 100 2.551 -1.348 6.374 778 HG22 THR 100 HG22 THR 100 3.372 0.212 6.393 779 HG23 THR 100 HG23 THR 100 4.291 -1.266 6.112 780 H ASN 101 H ASN 101 0.298 -0.947 3.510 781 HA ASN 101 HA ASN 101 -1.736 -1.519 4.352 782 HB2 ASN 101 HB2 ASN 101 -0.847 -0.333 6.982 783 HB3 ASN 101 HB3 ASN 101 -2.042 -1.599 6.717 784 HD21 ASN 101 HD21 ASN 101 0.120 -1.826 8.471 785 HD22 ASN 101 HD22 ASN 101 1.172 -3.063 7.884 786 H LEU 102 H LEU 102 -3.797 -0.621 4.879 787 HA LEU 102 HA LEU 102 -4.178 2.086 5.592 788 HB2 LEU 102 HB2 LEU 102 -3.294 2.513 3.372 789 HB3 LEU 102 HB3 LEU 102 -4.479 1.415 2.667 790 HG LEU 102 HG LEU 102 -4.849 3.973 2.502 791 HD11 LEU 102 HD11 LEU 102 -7.307 2.770 3.561 792 HD12 LEU 102 HD12 LEU 102 -6.490 1.824 2.317 793 HD13 LEU 102 HD13 LEU 102 -6.977 3.485 1.983 794 HD21 LEU 102 HD21 LEU 102 -5.602 5.132 4.308 795 HD22 LEU 102 HD22 LEU 102 -4.537 3.997 5.139 796 HD23 LEU 102 HD23 LEU 102 -6.275 3.701 5.089 797 H ASN 103 H ASN 103 -5.534 -0.574 3.664 798 HA ASN 103 HA ASN 103 -8.197 0.017 4.710 799 HB2 ASN 103 HB2 ASN 103 -7.197 -1.820 2.536 800 HB3 ASN 103 HB3 ASN 103 -8.860 -1.868 3.114 801 HD21 ASN 103 HD21 ASN 103 -6.834 -0.580 0.857 802 HD22 ASN 103 HD22 ASN 103 -7.783 0.778 0.367 803 HA PRO 104 HA PRO 104 -8.231 -3.181 7.715 804 HB2 PRO 104 HB2 PRO 104 -10.806 -4.028 7.579 805 HB3 PRO 104 HB3 PRO 104 -10.342 -2.474 8.280 806 HG2 PRO 104 HG2 PRO 104 -11.417 -3.075 5.551 807 HG3 PRO 104 HG3 PRO 104 -11.841 -1.753 6.655 808 HD2 PRO 104 HD2 PRO 104 -10.161 -1.417 4.559 809 HD3 PRO 104 HD3 PRO 104 -9.993 -0.504 6.072 810 H ILE 105 H ILE 105 -6.873 -4.772 6.893 811 HA ILE 105 HA ILE 105 -7.719 -6.594 4.848 812 HB ILE 105 HB ILE 105 -5.420 -7.012 6.749 813 HG12 ILE 105 HG12 ILE 105 -5.201 -4.771 5.827 814 HG13 ILE 105 HG13 ILE 105 -4.018 -5.837 5.078 815 HG21 ILE 105 HG21 ILE 105 -6.221 -8.098 4.085 816 HG22 ILE 105 HG22 ILE 105 -4.516 -8.032 4.530 817 HG23 ILE 105 HG23 ILE 105 -5.651 -8.951 5.520 818 HD11 ILE 105 HD11 ILE 105 -6.026 -6.068 3.315 819 HD12 ILE 105 HD12 ILE 105 -6.316 -4.430 3.901 820 HD13 ILE 105 HD13 ILE 105 -4.754 -4.853 3.200 821 H TYR 106 H TYR 106 -8.043 -8.864 5.099 822 HA TYR 106 HA TYR 106 -8.920 -9.664 7.794 823 HB2 TYR 106 HB2 TYR 106 -10.243 -10.682 5.292 824 HB3 TYR 106 HB3 TYR 106 -10.850 -10.702 6.945 825 HD1 TYR 106 HD1 TYR 106 -10.281 -8.597 3.978 826 HD2 TYR 106 HD2 TYR 106 -11.987 -8.803 7.870 827 HE1 TYR 106 HE1 TYR 106 -11.509 -6.511 3.543 828 HE2 TYR 106 HE2 TYR 106 -13.222 -6.719 7.446 829 HH TYR 106 HH TYR 106 -14.066 -5.513 5.153 830 H ALA 107 H ALA 107 -7.645 -10.690 4.671 831 HA ALA 107 HA ALA 107 -7.333 -13.398 5.077 832 HB1 ALA 107 HB1 ALA 107 -5.069 -12.819 3.703 833 HB2 ALA 107 HB2 ALA 107 -6.671 -12.955 2.977 834 HB3 ALA 107 HB3 ALA 107 -6.029 -11.370 3.403 835 H ASP 108 H ASP 108 -5.074 -10.803 5.980 836 HA ASP 108 HA ASP 108 -4.241 -12.003 8.361 837 HB2 ASP 108 HB2 ASP 108 -3.114 -13.722 7.247 838 HB3 ASP 108 HB3 ASP 108 -2.589 -12.662 5.942 839 H GLY 109 H GLY 109 -3.283 -10.487 9.582 840 HA2 GLY 109 HA2 GLY 109 -1.401 -8.602 8.677 841 HA3 GLY 109 HA3 GLY 109 -2.991 -7.853 8.665 842 H SER 110 H SER 110 -0.495 -7.464 10.332 843 HA SER 110 HA SER 110 -1.150 -8.280 12.984 844 HB2 SER 110 HB2 SER 110 1.107 -7.278 11.752 845 HB3 SER 110 HB3 SER 110 0.591 -5.933 12.770 846 HG SER 110 HG SER 110 1.980 -7.376 13.882 847 H HIS 111 H HIS 111 -1.525 -5.271 11.160 848 HA HIS 111 HA HIS 111 -2.592 -3.307 11.663 849 HB2 HIS 111 HB2 HIS 111 -4.923 -3.583 12.249 850 HB3 HIS 111 HB3 HIS 111 -4.457 -4.873 11.143 851 HD1 HIS 111 HD1 HIS 111 -5.077 -4.299 14.836 852 HD2 HIS 111 HD2 HIS 111 -4.923 -7.398 12.073 853 HE1 HIS 111 HE1 HIS 111 -5.873 -6.340 16.070 854 H HIS 112 H HIS 112 -4.281 -2.537 13.711 855 HA HIS 112 HA HIS 112 -2.861 -3.003 16.214 856 HB2 HIS 112 HB2 HIS 112 -2.575 -0.600 14.612 857 HB3 HIS 112 HB3 HIS 112 -3.224 -0.235 16.208 858 HD1 HIS 112 HD1 HIS 112 -0.121 -0.456 14.554 859 HD2 HIS 112 HD2 HIS 112 -1.493 -1.699 18.273 860 HE1 HIS 112 HE1 HIS 112 1.939 -0.759 15.964 861 H HIS 113 H HIS 113 -4.401 -3.517 17.611 862 HA HIS 113 HA HIS 113 -7.130 -3.080 17.273 863 HB2 HIS 113 HB2 HIS 113 -7.311 -3.641 19.707 864 HB3 HIS 113 HB3 HIS 113 -6.364 -4.796 18.773 865 HD1 HIS 113 HD1 HIS 113 -6.045 -2.180 21.429 866 HD2 HIS 113 HD2 HIS 113 -3.657 -4.941 19.446 867 HE1 HIS 113 HE1 HIS 113 -3.890 -2.257 22.723 868 H HIS 114 H HIS 114 -8.558 -1.546 17.971 869 HA HIS 114 HA HIS 114 -7.419 0.833 19.283 870 HB2 HIS 114 HB2 HIS 114 -7.958 1.076 16.793 871 HB3 HIS 114 HB3 HIS 114 -9.652 0.947 17.259 872 HD1 HIS 114 HD1 HIS 114 -6.965 2.911 19.071 873 HD2 HIS 114 HD2 HIS 114 -10.455 3.530 16.903 874 HE1 HIS 114 HE1 HIS 114 -7.456 5.370 19.273 875 H HIS 115 H HIS 115 -8.700 1.886 20.787 876 HA HIS 115 HA HIS 115 -11.281 0.638 21.437 877 HB2 HIS 115 HB2 HIS 115 -10.703 0.869 23.860 878 HB3 HIS 115 HB3 HIS 115 -9.712 -0.308 23.002 879 HD1 HIS 115 HD1 HIS 115 -9.494 2.658 25.105 880 HD2 HIS 115 HD2 HIS 115 -7.047 0.711 22.370 881 HE1 HIS 115 HE1 HIS 115 -7.178 3.545 25.524 882 H HIS 116 H HIS 116 -11.189 2.897 19.964 883 HA HIS 116 HA HIS 116 -12.005 5.017 19.839 884 HB2 HIS 116 HB2 HIS 116 -13.800 3.990 21.265 885 HB3 HIS 116 HB3 HIS 116 -12.940 4.588 22.682 886 HD1 HIS 116 HD1 HIS 116 -15.519 5.513 20.349 887 HD2 HIS 116 HD2 HIS 116 -12.682 7.552 22.596 888 HE1 HIS 116 HE1 HIS 116 -16.317 7.896 20.436 889 H2 B6D 117 H2 B6D 117 24.806 31.680 4.806 890 H1 B6D 117 H1 B6D 117 22.826 29.552 5.820 891 H3 B6D 117 H3 B6D 117 25.292 28.907 6.005 892 HN2 B6D 117 HN2 B6D 117 24.914 30.448 2.901 893 H5 B6D 117 H5 B6D 117 23.938 29.680 8.141 894 H8 B6D 117 H22 B6D 117 22.710 29.193 1.446 895 H8A B6D 117 H21 B6D 117 23.091 27.490 1.790 896 H8B B6D 117 H23 B6D 117 24.393 28.624 1.339 897 H4 B6D 117 H4 B6D 117 25.946 31.710 7.039 898 HN4 B6D 117 HN4 B6D 117 27.460 30.553 8.260 899 H9 B6D 117 H43 B6D 117 27.070 27.881 10.548 900 H9A B6D 117 H41 B6D 117 28.230 27.700 9.206 901 H9B B6D 117 H42 B6D 117 28.076 29.267 10.037 902 H6 B6D 117 H62 B6D 117 24.634 31.028 10.001 903 H6A B6D 117 H63 B6D 117 24.726 32.495 9.005 904 H6B B6D 117 H61 B6D 117 23.149 31.798 9.410 905 H1 A2G 118 H1 A2G 118 27.631 28.300 6.196 906 H2 A2G 118 H2 A2G 118 29.711 28.172 4.826 907 H3 A2G 118 H3 A2G 118 28.569 30.689 3.516 908 H4 A2G 118 H4 A2G 118 28.607 29.387 1.468 909 H5 A2G 118 H5 A2G 118 26.648 29.212 2.720 910 H61 A2G 118 H61 A2G 118 27.327 26.599 1.452 911 H62 A2G 118 H62 A2G 118 26.163 27.845 0.976 912 H81 A2G 118 H81 A2G 118 31.869 30.859 7.549 913 H82 A2G 118 H82 A2G 118 31.387 29.820 8.914 914 H83 A2G 118 H83 A2G 118 30.279 31.090 8.337 915 HO3 A2G 118 HO3 A2G 118 30.485 31.049 2.686 916 HO6 A2G 118 HO6 A2G 118 25.722 25.672 2.488 917 HN2 A2G 118 HN2 A2G 118 29.708 30.909 5.842 918 H1 A2G 119 H1 A2G 119 28.858 27.279 0.294 919 H2 A2G 119 H2 A2G 119 30.359 25.319 -0.053 920 H3 A2G 119 H3 A2G 119 31.235 25.946 2.809 921 H4 A2G 119 H4 A2G 119 33.441 26.248 1.844 922 H5 A2G 119 H5 A2G 119 32.107 28.160 1.891 923 H61 A2G 119 H61 A2G 119 33.257 28.444 -0.877 924 H62 A2G 119 H62 A2G 119 34.239 28.431 0.595 925 H81 A2G 119 H81 A2G 119 27.089 22.167 0.861 926 H82 A2G 119 H82 A2G 119 26.594 23.736 1.547 927 H83 A2G 119 H83 A2G 119 27.590 22.623 2.518 928 HO3 A2G 119 HO3 A2G 119 32.362 24.057 2.742 929 HO6 A2G 119 HO6 A2G 119 32.360 30.347 -0.255 930 HN2 A2G 119 HN2 A2G 119 28.491 25.260 2.222 931 H1 A2G 120 H1 A2G 120 34.993 26.189 0.108 932 H2 A2G 120 H2 A2G 120 35.704 25.177 -2.056 933 H3 A2G 120 H3 A2G 120 32.727 24.522 -2.310 934 H4 A2G 120 H4 A2G 120 33.459 22.209 -2.399 935 H5 A2G 120 H5 A2G 120 33.041 23.037 -0.259 936 H61 A2G 120 H61 A2G 120 35.441 21.240 -0.141 937 H62 A2G 120 H62 A2G 120 33.729 20.864 0.104 938 H81 A2G 120 H81 A2G 120 35.510 29.249 -3.822 939 H82 A2G 120 H82 A2G 120 35.106 29.993 -2.255 940 H83 A2G 120 H83 A2G 120 33.842 29.145 -3.182 941 HO6 A2G 120 HO6 A2G 120 35.532 22.114 1.866 942 HN2 A2G 120 HN2 A2G 120 33.635 26.866 -3.055 943 H1 A2G 121 H1 A2G 121 35.165 20.504 -2.248 944 H2 A2G 121 H2 A2G 121 37.436 19.844 -3.037 945 H3 A2G 121 H3 A2G 121 37.874 22.869 -3.157 946 H4 A2G 121 H4 A2G 121 38.293 22.503 -5.520 947 H5 A2G 121 H5 A2G 121 36.064 22.901 -4.955 948 H61 A2G 121 H61 A2G 121 36.539 21.800 -7.370 949 H62 A2G 121 H62 A2G 121 34.997 22.496 -6.855 950 H81 A2G 121 H81 A2G 121 38.776 19.263 1.253 951 H82 A2G 121 H82 A2G 121 37.075 19.568 1.690 952 H83 A2G 121 H83 A2G 121 38.130 20.933 1.247 953 HO3 A2G 121 HO3 A2G 121 39.775 22.171 -2.472 954 HO6 A2G 121 HO6 A2G 121 35.489 19.797 -6.228 955 HN2 A2G 121 HN2 A2G 121 37.991 21.687 -0.847 956 H1 A2G 122 H1 A2G 122 38.424 20.981 -7.511 957 H2 A2G 122 H2 A2G 122 39.619 18.894 -8.167 958 H3 A2G 122 H3 A2G 122 39.147 18.137 -5.241 959 H4 A2G 122 H4 A2G 122 41.566 18.015 -5.101 960 H5 A2G 122 H5 A2G 122 40.650 20.112 -4.652 961 H61 A2G 122 H61 A2G 122 42.412 21.835 -5.572 962 H62 A2G 122 H62 A2G 122 43.224 20.357 -6.108 963 H81 A2G 122 H81 A2G 122 35.897 16.778 -9.994 964 H82 A2G 122 H82 A2G 122 35.369 18.222 -9.093 965 H83 A2G 122 H83 A2G 122 35.583 16.676 -8.235 966 HO3 A2G 122 HO3 A2G 122 40.489 16.460 -7.027 967 HO6 A2G 122 HO6 A2G 122 42.872 19.600 -3.847 968 HN2 A2G 122 HN2 A2G 122 36.927 18.623 -6.993 969 H2 BGC 123 H2 BGC 123 33.808 24.435 -6.536 970 H3 BGC 123 H3 BGC 123 30.886 23.719 -7.005 971 H4 BGC 123 H4 BGC 123 33.188 21.742 -7.436 972 H5 BGC 123 H5 BGC 123 31.068 21.761 -5.222 973 H6C1 BGC 123 H61 BGC 123 32.763 19.575 -6.269 974 H6C2 BGC 123 H62 BGC 123 33.035 19.880 -4.543 975 H1 BGC 123 H1 BGC 123 31.855 23.904 -4.238 976 HB BGC 123 HO2 BGC 123 31.308 25.575 -5.761 977 HC BGC 123 HO3 BGC 123 31.826 23.424 -9.137 978 HD BGC 123 HO4 BGC 123 31.516 21.208 -8.736 979 H6 BGC 123 HO6 BGC 123 30.405 19.719 -5.642 Start of MODEL 16 1 H1 ASP 1 H ASP 1 0.326 -0.147 -2.312 2 HA ASP 1 HA ASP 1 1.893 0.098 -0.608 3 HB2 ASP 1 HB2 ASP 1 4.052 -0.322 -2.678 4 HB3 ASP 1 HB3 ASP 1 4.223 -0.373 -0.926 5 H VAL 2 H VAL 2 2.863 1.965 0.151 6 HA VAL 2 HA VAL 2 3.287 4.112 -1.821 7 HB VAL 2 HB VAL 2 1.128 4.448 -0.688 8 HG11 VAL 2 HG11 VAL 2 2.832 4.188 1.753 9 HG12 VAL 2 HG12 VAL 2 1.376 5.184 1.797 10 HG13 VAL 2 HG13 VAL 2 1.260 3.470 1.399 11 HG21 VAL 2 HG21 VAL 2 1.397 6.713 -0.394 12 HG22 VAL 2 HG22 VAL 2 2.933 6.532 0.455 13 HG23 VAL 2 HG23 VAL 2 2.861 6.318 -1.294 14 H ILE 3 H ILE 3 4.805 5.727 -1.237 15 HA ILE 3 HA ILE 3 6.583 4.984 0.992 16 HB ILE 3 HB ILE 3 7.531 6.180 -1.608 17 HG12 ILE 3 HG12 ILE 3 7.517 3.288 -0.721 18 HG13 ILE 3 HG13 ILE 3 6.645 3.971 -2.089 19 HG21 ILE 3 HG21 ILE 3 9.739 5.453 -0.792 20 HG22 ILE 3 HG22 ILE 3 8.973 6.621 0.283 21 HG23 ILE 3 HG23 ILE 3 8.986 4.910 0.708 22 HD11 ILE 3 HD11 ILE 3 8.807 4.516 -3.142 23 HD12 ILE 3 HD12 ILE 3 9.628 3.719 -1.799 24 HD13 ILE 3 HD13 ILE 3 8.580 2.789 -2.870 25 H ILE 4 H ILE 4 7.624 6.677 2.081 26 HA ILE 4 HA ILE 4 6.328 9.291 1.723 27 HB ILE 4 HB ILE 4 7.628 8.026 4.128 28 HG12 ILE 4 HG12 ILE 4 4.848 9.142 3.706 29 HG13 ILE 4 HG13 ILE 4 5.267 7.435 3.589 30 HG21 ILE 4 HG21 ILE 4 6.589 10.393 5.020 31 HG22 ILE 4 HG22 ILE 4 8.294 10.082 4.700 32 HG23 ILE 4 HG23 ILE 4 7.293 10.850 3.469 33 HD11 ILE 4 HD11 ILE 4 5.973 8.862 6.088 34 HD12 ILE 4 HD12 ILE 4 4.274 8.488 5.792 35 HD13 ILE 4 HD13 ILE 4 5.469 7.191 5.836 36 H LYS 5 H LYS 5 7.564 10.462 0.367 37 HA LYS 5 HA LYS 5 10.366 10.890 1.148 38 HB2 LYS 5 HB2 LYS 5 10.716 11.223 -1.420 39 HB3 LYS 5 HB3 LYS 5 10.727 9.602 -0.738 40 HG2 LYS 5 HG2 LYS 5 8.088 10.551 -1.593 41 HG3 LYS 5 HG3 LYS 5 9.270 10.367 -2.891 42 HD2 LYS 5 HD2 LYS 5 8.690 8.224 -0.852 43 HD3 LYS 5 HD3 LYS 5 7.872 8.331 -2.413 44 HE2 LYS 5 HE2 LYS 5 10.867 8.238 -2.173 45 HE3 LYS 5 HE3 LYS 5 9.886 6.776 -2.252 46 HZ1 LYS 5 HZ1 LYS 5 9.182 7.278 -4.400 47 HZ2 LYS 5 HZ2 LYS 5 10.824 7.678 -4.416 48 HZ3 LYS 5 HZ3 LYS 5 9.659 8.898 -4.295 49 HA PRO 6 HA PRO 6 9.544 15.193 0.893 50 HB2 PRO 6 HB2 PRO 6 11.883 16.164 -0.083 51 HB3 PRO 6 HB3 PRO 6 11.713 15.545 1.564 52 HG2 PRO 6 HG2 PRO 6 12.822 14.190 -0.865 53 HG3 PRO 6 HG3 PRO 6 13.440 14.190 0.797 54 HD2 PRO 6 HD2 PRO 6 12.020 12.125 -0.230 55 HD3 PRO 6 HD3 PRO 6 11.946 12.576 1.487 56 H GLN 7 H GLN 7 10.340 17.120 -0.815 57 HA GLN 7 HA GLN 7 9.489 16.227 -3.485 58 HB2 GLN 7 HB2 GLN 7 8.297 18.523 -3.590 59 HB3 GLN 7 HB3 GLN 7 7.516 17.204 -2.729 60 HG2 GLN 7 HG2 GLN 7 9.261 19.107 -1.239 61 HG3 GLN 7 HG3 GLN 7 7.621 19.580 -1.682 62 HE21 GLN 7 HE21 GLN 7 9.376 18.408 0.757 63 HE22 GLN 7 HE22 GLN 7 8.185 17.468 1.584 64 H VAL 8 H VAL 8 11.958 17.404 -1.833 65 HA VAL 8 HA VAL 8 13.066 18.760 -4.151 66 HB VAL 8 HB VAL 8 13.872 20.689 -2.844 67 HG11 VAL 8 HG11 VAL 8 10.873 20.356 -2.846 68 HG12 VAL 8 HG12 VAL 8 11.736 21.892 -2.734 69 HG13 VAL 8 HG13 VAL 8 11.861 20.914 -4.197 70 HG21 VAL 8 HG21 VAL 8 13.048 19.156 -0.651 71 HG22 VAL 8 HG22 VAL 8 13.723 20.784 -0.627 72 HG23 VAL 8 HG23 VAL 8 11.975 20.554 -0.688 73 H SER 9 H SER 9 15.429 19.435 -3.603 74 HA SER 9 HA SER 9 16.652 17.150 -2.218 75 HB2 SER 9 HB2 SER 9 18.717 17.853 -3.534 76 HB3 SER 9 HB3 SER 9 17.371 17.225 -4.485 77 HG SER 9 HG SER 9 17.913 19.978 -4.046 78 H GLY 10 H GLY 10 16.919 17.739 -0.131 79 HA2 GLY 10 HA2 GLY 10 18.671 20.050 0.358 80 HA3 GLY 10 HA3 GLY 10 17.165 19.918 1.255 81 H VAL 11 H VAL 11 17.683 19.416 3.282 82 HA VAL 11 HA VAL 11 19.201 16.969 3.753 83 HB VAL 11 HB VAL 11 19.884 19.449 5.316 84 HG11 VAL 11 HG11 VAL 11 21.151 18.090 6.534 85 HG12 VAL 11 HG12 VAL 11 20.430 16.728 5.674 86 HG13 VAL 11 HG13 VAL 11 21.933 17.446 5.091 87 HG21 VAL 11 HG21 VAL 11 22.027 19.386 3.929 88 HG22 VAL 11 HG22 VAL 11 21.114 18.407 2.781 89 HG23 VAL 11 HG23 VAL 11 20.586 20.046 3.158 90 H ILE 12 H ILE 12 18.654 15.902 5.636 91 HA ILE 12 HA ILE 12 16.084 16.375 6.685 92 HB ILE 12 HB ILE 12 18.281 14.678 7.875 93 HG12 ILE 12 HG12 ILE 12 17.737 14.105 5.521 94 HG13 ILE 12 HG13 ILE 12 17.302 12.825 6.649 95 HG21 ILE 12 HG21 ILE 12 15.307 14.759 8.329 96 HG22 ILE 12 HG22 ILE 12 16.332 13.416 8.834 97 HG23 ILE 12 HG23 ILE 12 16.591 15.026 9.508 98 HD11 ILE 12 HD11 ILE 12 15.680 14.083 4.729 99 HD12 ILE 12 HD12 ILE 12 15.223 12.855 5.909 100 HD13 ILE 12 HD13 ILE 12 15.071 14.564 6.314 101 H VAL 13 H VAL 13 15.415 17.058 8.738 102 HA VAL 13 HA VAL 13 17.421 18.554 10.295 103 HB VAL 13 HB VAL 13 15.120 19.928 10.807 104 HG11 VAL 13 HG11 VAL 13 17.033 21.170 10.464 105 HG12 VAL 13 HG12 VAL 13 17.404 20.373 8.934 106 HG13 VAL 13 HG13 VAL 13 16.097 21.555 9.019 107 HG21 VAL 13 HG21 VAL 13 15.076 19.552 7.832 108 HG22 VAL 13 HG22 VAL 13 14.103 18.540 8.899 109 HG23 VAL 13 HG23 VAL 13 13.859 20.287 8.874 110 H ASN 14 H ASN 14 14.318 16.868 10.303 111 HA ASN 14 HA ASN 14 14.842 15.911 12.986 112 HB2 ASN 14 HB2 ASN 14 13.317 18.199 12.738 113 HB3 ASN 14 HB3 ASN 14 12.102 16.925 12.816 114 HD21 ASN 14 HD21 ASN 14 11.329 17.178 14.817 115 HD22 ASN 14 HD22 ASN 14 12.274 17.077 16.260 116 H LYS 15 H LYS 15 13.111 14.340 13.686 117 HA LYS 15 HA LYS 15 11.601 13.149 11.499 118 HB2 LYS 15 HB2 LYS 15 13.473 11.430 13.117 119 HB3 LYS 15 HB3 LYS 15 12.571 10.988 11.673 120 HG2 LYS 15 HG2 LYS 15 13.970 12.351 10.298 121 HG3 LYS 15 HG3 LYS 15 14.777 13.035 11.712 122 HD2 LYS 15 HD2 LYS 15 16.166 11.331 10.652 123 HD3 LYS 15 HD3 LYS 15 15.671 10.824 12.269 124 HE2 LYS 15 HE2 LYS 15 13.910 9.438 11.302 125 HE3 LYS 15 HE3 LYS 15 14.371 9.965 9.684 126 HZ1 LYS 15 HZ1 LYS 15 16.646 8.975 10.996 127 HZ2 LYS 15 HZ2 LYS 15 15.877 8.364 9.619 128 HZ3 LYS 15 HZ3 LYS 15 15.406 7.834 11.156 129 H LEU 16 H LEU 16 9.696 13.559 12.560 130 HA LEU 16 HA LEU 16 9.369 12.529 15.280 131 HB2 LEU 16 HB2 LEU 16 7.337 14.056 13.675 132 HB3 LEU 16 HB3 LEU 16 7.401 13.832 15.422 133 HG LEU 16 HG LEU 16 9.648 15.170 15.199 134 HD11 LEU 16 HD11 LEU 16 8.513 15.352 12.546 135 HD12 LEU 16 HD12 LEU 16 10.103 15.842 13.131 136 HD13 LEU 16 HD13 LEU 16 8.733 16.944 13.275 137 HD21 LEU 16 HD21 LEU 16 6.912 16.426 15.014 138 HD22 LEU 16 HD22 LEU 16 8.378 17.257 15.533 139 HD23 LEU 16 HD23 LEU 16 7.741 15.917 16.485 140 H PHE 17 H PHE 17 9.620 10.350 14.077 141 HA PHE 17 HA PHE 17 6.920 9.308 13.677 142 HB2 PHE 17 HB2 PHE 17 7.243 8.480 11.577 143 HB3 PHE 17 HB3 PHE 17 8.350 9.846 11.473 144 HD1 PHE 17 HD1 PHE 17 10.808 9.370 12.169 145 HD2 PHE 17 HD2 PHE 17 8.002 6.361 11.082 146 HE1 PHE 17 HE1 PHE 17 12.660 7.833 11.659 147 HE2 PHE 17 HE2 PHE 17 9.848 4.819 10.570 148 HZ PHE 17 HZ PHE 17 12.181 5.553 10.860 149 H LYS 18 H LYS 18 6.966 6.851 13.607 150 HA LYS 18 HA LYS 18 9.141 5.788 15.278 151 HB2 LYS 18 HB2 LYS 18 6.192 5.700 15.757 152 HB3 LYS 18 HB3 LYS 18 7.176 4.338 16.275 153 HG2 LYS 18 HG2 LYS 18 8.182 6.987 17.059 154 HG3 LYS 18 HG3 LYS 18 6.653 6.501 17.795 155 HD2 LYS 18 HD2 LYS 18 8.454 4.286 17.844 156 HD3 LYS 18 HD3 LYS 18 9.270 5.703 18.509 157 HE2 LYS 18 HE2 LYS 18 7.919 5.793 20.318 158 HE3 LYS 18 HE3 LYS 18 6.496 5.278 19.413 159 HZ1 LYS 18 HZ1 LYS 18 7.058 3.052 19.646 160 HZ2 LYS 18 HZ2 LYS 18 7.445 3.700 21.159 161 HZ3 LYS 18 HZ3 LYS 18 8.671 3.382 20.038 162 H ALA 19 H ALA 19 9.326 3.428 15.208 163 HA ALA 19 HA ALA 19 8.875 2.458 12.509 164 HB1 ALA 19 HB1 ALA 19 10.927 2.140 14.326 165 HB2 ALA 19 HB2 ALA 19 10.113 0.574 14.339 166 HB3 ALA 19 HB3 ALA 19 10.716 1.242 12.822 167 H GLY 20 H GLY 20 7.042 1.449 12.023 168 HA2 GLY 20 HA2 GLY 20 5.404 -0.184 12.121 169 HA3 GLY 20 HA3 GLY 20 6.112 -0.754 13.626 170 H ASP 21 H ASP 21 5.297 2.594 13.315 171 HA ASP 21 HA ASP 21 3.220 2.241 15.343 172 HB2 ASP 21 HB2 ASP 21 5.257 4.088 15.086 173 HB3 ASP 21 HB3 ASP 21 3.842 4.987 14.546 174 H LYS 22 H LYS 22 1.587 4.332 15.026 175 HA LYS 22 HA LYS 22 0.240 3.723 12.491 176 HB2 LYS 22 HB2 LYS 22 -0.656 4.303 15.217 177 HB3 LYS 22 HB3 LYS 22 -1.535 5.206 13.990 178 HG2 LYS 22 HG2 LYS 22 -1.390 2.594 13.019 179 HG3 LYS 22 HG3 LYS 22 -1.755 2.441 14.739 180 HD2 LYS 22 HD2 LYS 22 -3.257 4.282 12.887 181 HD3 LYS 22 HD3 LYS 22 -3.754 2.619 13.214 182 HE2 LYS 22 HE2 LYS 22 -4.375 3.085 15.365 183 HE3 LYS 22 HE3 LYS 22 -3.211 4.399 15.531 184 HZ1 LYS 22 HZ1 LYS 22 -5.025 5.156 13.568 185 HZ2 LYS 22 HZ2 LYS 22 -4.850 5.808 15.119 186 HZ3 LYS 22 HZ3 LYS 22 -5.941 4.543 14.852 187 H VAL 23 H VAL 23 -0.572 5.363 11.159 188 HA VAL 23 HA VAL 23 0.437 8.075 11.707 189 HB VAL 23 HB VAL 23 1.641 6.556 9.870 190 HG11 VAL 23 HG11 VAL 23 0.795 6.882 7.671 191 HG12 VAL 23 HG12 VAL 23 -0.535 6.264 8.651 192 HG13 VAL 23 HG13 VAL 23 -0.459 7.980 8.249 193 HG21 VAL 23 HG21 VAL 23 2.107 8.933 10.605 194 HG22 VAL 23 HG22 VAL 23 2.526 8.539 8.937 195 HG23 VAL 23 HG23 VAL 23 1.054 9.447 9.286 196 H LYS 24 H LYS 24 -0.652 9.753 10.370 197 HA LYS 24 HA LYS 24 -3.452 9.018 9.816 198 HB2 LYS 24 HB2 LYS 24 -2.307 11.380 11.270 199 HB3 LYS 24 HB3 LYS 24 -3.860 11.512 10.456 200 HG2 LYS 24 HG2 LYS 24 -3.576 9.167 12.196 201 HG3 LYS 24 HG3 LYS 24 -3.529 10.726 13.022 202 HD2 LYS 24 HD2 LYS 24 -5.811 9.839 12.889 203 HD3 LYS 24 HD3 LYS 24 -5.648 11.351 11.994 204 HE2 LYS 24 HE2 LYS 24 -5.546 10.171 9.907 205 HE3 LYS 24 HE3 LYS 24 -5.485 8.617 10.737 206 HZ1 LYS 24 HZ1 LYS 24 -7.744 10.127 9.968 207 HZ2 LYS 24 HZ2 LYS 24 -7.759 9.911 11.645 208 HZ3 LYS 24 HZ3 LYS 24 -7.681 8.567 10.620 209 H LYS 25 H LYS 25 -4.422 11.216 8.667 210 HA LYS 25 HA LYS 25 -2.899 11.365 6.178 211 HB2 LYS 25 HB2 LYS 25 -5.661 12.469 6.653 212 HB3 LYS 25 HB3 LYS 25 -4.911 12.042 5.121 213 HG2 LYS 25 HG2 LYS 25 -5.253 9.787 5.426 214 HG3 LYS 25 HG3 LYS 25 -5.354 9.932 7.182 215 HD2 LYS 25 HD2 LYS 25 -7.568 9.680 6.766 216 HD3 LYS 25 HD3 LYS 25 -7.473 11.422 6.499 217 HE2 LYS 25 HE2 LYS 25 -6.767 10.058 4.089 218 HE3 LYS 25 HE3 LYS 25 -8.295 9.417 4.689 219 HZ1 LYS 25 HZ1 LYS 25 -8.370 11.435 3.160 220 HZ2 LYS 25 HZ2 LYS 25 -7.826 12.326 4.491 221 HZ3 LYS 25 HZ3 LYS 25 -9.298 11.497 4.573 222 H GLY 26 H GLY 26 -1.276 12.817 6.946 223 HA2 GLY 26 HA2 GLY 26 -0.778 15.156 6.339 224 HA3 GLY 26 HA3 GLY 26 -2.254 15.596 7.186 225 H GLN 27 H GLN 27 -0.422 13.124 8.664 226 HA GLN 27 HA GLN 27 0.250 14.919 10.849 227 HB2 GLN 27 HB2 GLN 27 0.206 13.096 12.187 228 HB3 GLN 27 HB3 GLN 27 -0.676 12.381 10.845 229 HG2 GLN 27 HG2 GLN 27 1.206 11.214 10.081 230 HG3 GLN 27 HG3 GLN 27 2.306 12.184 11.060 231 HE21 GLN 27 HE21 GLN 27 -0.736 10.698 12.030 232 HE22 GLN 27 HE22 GLN 27 -0.052 9.640 13.213 233 H THR 28 H THR 28 2.280 15.461 11.497 234 HA THR 28 HA THR 28 4.364 15.400 9.586 235 HB THR 28 HB THR 28 5.046 15.896 12.437 236 HG1 THR 28 HG1 THR 28 3.609 17.429 12.687 237 HG21 THR 28 HG21 THR 28 6.492 17.481 11.570 238 HG22 THR 28 HG22 THR 28 5.501 17.753 10.137 239 HG23 THR 28 HG23 THR 28 6.465 16.283 10.278 240 H LEU 29 H LEU 29 6.216 14.194 9.455 241 HA LEU 29 HA LEU 29 6.626 12.066 11.428 242 HB2 LEU 29 HB2 LEU 29 6.762 11.572 8.464 243 HB3 LEU 29 HB3 LEU 29 6.894 10.385 9.758 244 HG LEU 29 HG LEU 29 4.359 11.930 9.461 245 HD11 LEU 29 HD11 LEU 29 3.962 9.570 8.061 246 HD12 LEU 29 HD12 LEU 29 5.485 10.202 7.436 247 HD13 LEU 29 HD13 LEU 29 4.031 11.199 7.389 248 HD21 LEU 29 HD21 LEU 29 5.172 10.073 11.236 249 HD22 LEU 29 HD22 LEU 29 4.429 9.038 10.015 250 HD23 LEU 29 HD23 LEU 29 3.488 10.321 10.776 251 H PHE 30 H PHE 30 7.888 13.990 8.768 252 HA PHE 30 HA PHE 30 10.544 13.827 9.971 253 HB2 PHE 30 HB2 PHE 30 10.026 13.302 7.036 254 HB3 PHE 30 HB3 PHE 30 11.612 13.430 7.791 255 HD1 PHE 30 HD2 PHE 30 8.540 11.400 7.608 256 HD2 PHE 30 HD1 PHE 30 12.581 11.603 8.933 257 HE1 PHE 30 HE2 PHE 30 8.501 8.987 8.088 258 HE2 PHE 30 HE1 PHE 30 12.548 9.190 9.413 259 HZ PHE 30 HZ PHE 30 10.506 7.880 8.992 260 H ILE 31 H ILE 31 12.069 15.387 8.716 261 HA ILE 31 HA ILE 31 10.669 17.703 7.639 262 HB ILE 31 HB ILE 31 12.622 18.142 9.877 263 HG12 ILE 31 HG12 ILE 31 9.624 17.808 10.086 264 HG13 ILE 31 HG13 ILE 31 10.855 16.814 10.859 265 HG21 ILE 31 HG21 ILE 31 10.376 19.895 8.914 266 HG22 ILE 31 HG22 ILE 31 11.748 20.338 9.930 267 HG23 ILE 31 HG23 ILE 31 12.000 19.952 8.229 268 HD11 ILE 31 HD11 ILE 31 10.146 18.170 12.577 269 HD12 ILE 31 HD12 ILE 31 11.571 19.030 11.988 270 HD13 ILE 31 HD13 ILE 31 9.958 19.577 11.529 271 H ILE 32 H ILE 32 11.935 19.013 6.339 272 HA ILE 32 HA ILE 32 14.780 18.390 6.092 273 HB ILE 32 HB ILE 32 12.756 18.064 3.900 274 HG12 ILE 32 HG12 ILE 32 15.119 16.315 4.122 275 HG13 ILE 32 HG13 ILE 32 14.021 16.254 5.497 276 HG21 ILE 32 HG21 ILE 32 15.676 18.721 3.619 277 HG22 ILE 32 HG22 ILE 32 14.740 17.946 2.341 278 HG23 ILE 32 HG23 ILE 32 14.297 19.557 2.906 279 HD11 ILE 32 HD11 ILE 32 12.324 16.103 3.346 280 HD12 ILE 32 HD12 ILE 32 13.727 15.170 2.823 281 HD13 ILE 32 HD13 ILE 32 12.894 14.748 4.319 282 H GLU 33 H GLU 33 16.030 20.076 5.361 283 HA GLU 33 HA GLU 33 14.689 22.669 5.256 284 HB2 GLU 33 HB2 GLU 33 16.460 22.716 6.793 285 HB3 GLU 33 HB3 GLU 33 17.525 21.805 5.732 286 HG2 GLU 33 HG2 GLU 33 16.605 24.429 4.743 287 HG3 GLU 33 HG3 GLU 33 17.728 24.438 6.101 288 H GLN 34 H GLN 34 14.687 23.985 3.507 289 HA GLN 34 HA GLN 34 15.638 22.825 0.998 290 HB2 GLN 34 HB2 GLN 34 13.449 24.591 1.783 291 HB3 GLN 34 HB3 GLN 34 14.311 25.167 0.363 292 HG2 GLN 34 HG2 GLN 34 12.698 23.860 -0.593 293 HG3 GLN 34 HG3 GLN 34 14.029 22.713 -0.460 294 HE21 GLN 34 HE21 GLN 34 14.023 21.706 1.902 295 HE22 GLN 34 HE22 GLN 34 12.505 21.015 2.351 296 H ASP 35 H ASP 35 16.034 24.948 -0.600 297 HA ASP 35 HA ASP 35 17.474 26.616 -1.195 298 HB2 ASP 35 HB2 ASP 35 17.305 28.243 0.337 299 HB3 ASP 35 HB3 ASP 35 17.053 27.078 1.634 300 H GLN 36 H GLN 36 18.282 23.826 0.405 301 HA GLN 36 HA GLN 36 20.283 22.762 0.898 302 HB2 GLN 36 HB2 GLN 36 21.643 22.860 -1.440 303 HB3 GLN 36 HB3 GLN 36 20.252 21.824 -1.157 304 HG2 GLN 36 HG2 GLN 36 19.635 24.543 -2.087 305 HG3 GLN 36 HG3 GLN 36 20.486 23.515 -3.237 306 HE21 GLN 36 HE21 GLN 36 17.588 23.899 -1.334 307 HE22 GLN 36 HE22 GLN 36 16.621 22.774 -2.218 308 H ALA 37 H ALA 37 21.121 24.313 2.419 309 HA ALA 37 HA ALA 37 23.156 26.140 1.358 310 HB1 ALA 37 HB1 ALA 37 21.281 26.335 3.473 311 HB2 ALA 37 HB2 ALA 37 22.897 26.378 4.178 312 HB3 ALA 37 HB3 ALA 37 22.450 27.537 2.927 313 H SER 38 H SER 38 23.043 23.035 2.241 314 HA SER 38 HA SER 38 24.604 21.498 2.859 315 HB2 SER 38 HB2 SER 38 26.802 23.493 3.037 316 HB3 SER 38 HB3 SER 38 26.782 21.903 2.275 317 HG SER 38 HG SER 38 26.763 23.994 0.943 318 H LYS 39 H LYS 39 23.924 20.988 4.884 319 HA LYS 39 HA LYS 39 24.088 22.583 7.164 320 HB2 LYS 39 HB2 LYS 39 24.246 19.566 7.117 321 HB3 LYS 39 HB3 LYS 39 23.667 20.579 8.433 322 HG2 LYS 39 HG2 LYS 39 22.344 19.925 5.834 323 HG3 LYS 39 HG3 LYS 39 21.718 19.779 7.478 324 HD2 LYS 39 HD2 LYS 39 22.124 22.426 7.399 325 HD3 LYS 39 HD3 LYS 39 21.831 22.131 5.684 326 HE2 LYS 39 HE2 LYS 39 19.668 21.414 6.043 327 HE3 LYS 39 HE3 LYS 39 19.986 20.953 7.714 328 HZ1 LYS 39 HZ1 LYS 39 20.172 23.337 8.247 329 HZ2 LYS 39 HZ2 LYS 39 18.637 22.913 7.678 330 HZ3 LYS 39 HZ3 LYS 39 19.724 23.715 6.660 331 H ASP 40 H ASP 40 26.520 20.779 5.522 332 HA ASP 40 HA ASP 40 28.332 20.471 7.693 333 HB2 ASP 40 HB2 ASP 40 29.995 19.950 5.969 334 HB3 ASP 40 HB3 ASP 40 28.484 19.097 5.664 335 H PHE 41 H PHE 41 27.292 23.181 6.032 336 HA PHE 41 HA PHE 41 29.778 24.648 6.613 337 HB2 PHE 41 HB2 PHE 41 29.149 24.790 4.274 338 HB3 PHE 41 HB3 PHE 41 27.523 25.306 4.709 339 HD1 PHE 41 HD1 PHE 41 31.086 26.311 5.078 340 HD2 PHE 41 HD2 PHE 41 27.027 27.559 4.797 341 HE1 PHE 41 HE1 PHE 41 31.818 28.658 4.996 342 HE2 PHE 41 HE2 PHE 41 27.752 29.909 4.713 343 HZ PHE 41 HZ PHE 41 30.150 30.462 4.812 344 H ASN 42 H ASN 42 26.526 25.936 6.159 345 HA ASN 42 HA ASN 42 25.848 26.333 8.842 346 HB2 ASN 42 HB2 ASN 42 27.973 27.878 8.384 347 HB3 ASN 42 HB3 ASN 42 26.733 28.963 7.761 348 HD21 ASN 42 HD21 ASN 42 24.650 28.354 9.481 349 H ARG 43 H ARG 43 23.746 26.835 8.920 350 HA ARG 43 HA ARG 43 22.555 28.376 6.733 351 HB2 ARG 43 HB2 ARG 43 22.358 25.803 6.441 352 HB3 ARG 43 HB3 ARG 43 21.175 25.907 7.738 353 HG2 ARG 43 HG2 ARG 43 20.898 27.699 5.376 354 HG3 ARG 43 HG3 ARG 43 20.427 26.004 5.242 355 HD2 ARG 43 HD2 ARG 43 19.040 26.367 7.328 356 HD3 ARG 43 HD3 ARG 43 19.343 28.090 7.117 357 HE ARG 43 HE ARG 43 17.545 26.450 5.594 358 HH11 ARG 43 HH11 ARG 43 19.491 29.336 5.570 359 HH12 ARG 43 HH12 ARG 43 18.544 30.122 4.350 360 HH21 ARG 43 HH21 ARG 43 16.291 27.473 3.986 361 HH22 ARG 43 HH22 ARG 43 16.724 29.061 3.450 362 H SER 44 H SER 44 22.540 30.022 8.395 363 HA SER 44 HA SER 44 20.191 29.761 10.134 364 HB2 SER 44 HB2 SER 44 21.426 31.004 11.925 365 HB3 SER 44 HB3 SER 44 22.068 29.392 11.610 366 HG SER 44 HG SER 44 23.432 31.577 11.633 367 H LYS 45 H LYS 45 20.071 32.184 11.265 368 HA LYS 45 HA LYS 45 19.127 33.842 9.200 369 HB2 LYS 45 HB2 LYS 45 19.879 34.731 11.986 370 HB3 LYS 45 HB3 LYS 45 18.710 35.481 10.906 371 HG2 LYS 45 HG2 LYS 45 17.105 34.249 11.790 372 HG3 LYS 45 HG3 LYS 45 17.933 32.783 11.262 373 HD2 LYS 45 HD2 LYS 45 19.104 34.001 13.648 374 HD3 LYS 45 HD3 LYS 45 17.433 33.480 13.866 375 HE2 LYS 45 HE2 LYS 45 18.465 31.346 12.558 376 HE3 LYS 45 HE3 LYS 45 19.880 31.895 13.455 377 HZ1 LYS 45 HZ1 LYS 45 17.710 31.951 15.199 378 HZ2 LYS 45 HZ2 LYS 45 19.051 30.921 15.244 379 HZ3 LYS 45 HZ3 LYS 45 17.658 30.460 14.402 380 H ALA 46 H ALA 46 21.805 34.571 11.445 381 HA ALA 46 HA ALA 46 22.912 36.448 9.530 382 HB1 ALA 46 HB1 ALA 46 22.782 36.572 12.187 383 HB2 ALA 46 HB2 ALA 46 24.363 35.807 12.032 384 HB3 ALA 46 HB3 ALA 46 24.058 37.364 11.263 385 H LEU 47 H LEU 47 24.605 36.090 8.229 386 HA LEU 47 HA LEU 47 26.386 33.834 8.759 387 HB2 LEU 47 HB2 LEU 47 25.120 34.268 6.062 388 HB3 LEU 47 HB3 LEU 47 26.196 32.957 6.539 389 HG LEU 47 HG LEU 47 23.534 33.299 7.871 390 HD11 LEU 47 HD11 LEU 47 23.017 33.293 5.516 391 HD12 LEU 47 HD12 LEU 47 22.599 31.728 6.214 392 HD13 LEU 47 HD13 LEU 47 24.068 31.901 5.254 393 HD21 LEU 47 HD21 LEU 47 24.312 31.535 8.976 394 HD22 LEU 47 HD22 LEU 47 25.706 31.398 7.904 395 HD23 LEU 47 HD23 LEU 47 24.182 30.621 7.475 396 H PHE 48 H PHE 48 28.326 33.879 7.347 397 HA PHE 48 HA PHE 48 28.946 36.302 5.938 398 HB2 PHE 48 HB2 PHE 48 30.910 36.849 7.440 399 HB3 PHE 48 HB3 PHE 48 29.321 37.213 8.105 400 HD1 PHE 48 HD2 PHE 48 28.416 35.923 9.946 401 HD2 PHE 48 HD1 PHE 48 32.274 35.087 8.357 402 HE1 PHE 48 HE2 PHE 48 28.939 34.575 11.936 403 HE2 PHE 48 HE1 PHE 48 32.804 33.737 10.344 404 HZ PHE 48 HZ PHE 48 31.136 33.481 12.138 405 H SER 49 H SER 49 31.216 36.282 5.121 406 HA SER 49 HA SER 49 32.878 34.031 5.286 407 HB2 SER 49 HB2 SER 49 31.140 32.787 4.169 408 HB3 SER 49 HB3 SER 49 30.968 34.037 2.937 409 HG SER 49 HG SER 49 33.005 32.139 3.283 410 H GLN 50 H GLN 50 31.642 36.472 3.022 411 HA GLN 50 HA GLN 50 34.016 37.938 2.913 412 HB2 GLN 50 HB2 GLN 50 34.636 37.352 0.504 413 HB3 GLN 50 HB3 GLN 50 35.112 36.211 1.754 414 HG2 GLN 50 HG2 GLN 50 33.822 34.581 0.935 415 HG3 GLN 50 HG3 GLN 50 32.487 35.678 0.586 416 HE21 GLN 50 HE21 GLN 50 33.887 33.497 -0.957 417 HE22 GLN 50 HE22 GLN 50 34.255 34.223 -2.480 418 H SER 51 H SER 51 31.722 38.997 3.250 419 HA SER 51 HA SER 51 30.250 40.569 2.517 420 HB2 SER 51 HB2 SER 51 31.714 40.660 -0.113 421 HB3 SER 51 HB3 SER 51 30.879 41.965 0.728 422 HG SER 51 HG SER 51 33.208 42.036 0.880 423 H ALA 52 H ALA 52 28.980 38.409 2.465 424 HA ALA 52 HA ALA 52 28.064 37.781 -0.248 425 HB1 ALA 52 HB1 ALA 52 28.320 36.273 2.223 426 HB2 ALA 52 HB2 ALA 52 26.740 36.072 1.464 427 HB3 ALA 52 HB3 ALA 52 28.207 35.706 0.556 428 H ILE 53 H ILE 53 26.985 39.074 2.825 429 HA ILE 53 HA ILE 53 24.341 39.597 1.631 430 HB ILE 53 HB ILE 53 24.998 39.478 4.576 431 HG12 ILE 53 HG12 ILE 53 23.598 37.424 2.851 432 HG13 ILE 53 HG13 ILE 53 25.236 37.272 3.477 433 HG21 ILE 53 HG21 ILE 53 22.664 39.632 4.958 434 HG22 ILE 53 HG22 ILE 53 23.072 40.910 3.814 435 HG23 ILE 53 HG23 ILE 53 22.301 39.430 3.243 436 HD11 ILE 53 HD11 ILE 53 24.516 36.570 5.459 437 HD12 ILE 53 HD12 ILE 53 23.278 37.824 5.551 438 HD13 ILE 53 HD13 ILE 53 22.957 36.331 4.669 439 H SER 54 H SER 54 24.235 41.622 0.924 440 HA SER 54 HA SER 54 25.898 43.719 1.892 441 HB2 SER 54 HB2 SER 54 23.386 44.237 0.332 442 HB3 SER 54 HB3 SER 54 24.949 45.048 0.229 443 HG SER 54 HG SER 54 24.074 42.705 -0.972 444 H GLN 55 H GLN 55 25.439 43.697 4.157 445 HA GLN 55 HA GLN 55 22.970 44.005 5.362 446 HB2 GLN 55 HB2 GLN 55 24.951 43.559 6.668 447 HB3 GLN 55 HB3 GLN 55 25.657 45.101 6.200 448 HG2 GLN 55 HG2 GLN 55 24.097 46.315 7.495 449 HG3 GLN 55 HG3 GLN 55 23.096 44.887 7.752 450 HE21 GLN 55 HE21 GLN 55 23.195 44.322 9.797 451 HE22 GLN 55 HE22 GLN 55 24.621 44.254 10.770 452 H LYS 56 H LYS 56 24.780 46.272 3.510 453 HA LYS 56 HA LYS 56 24.023 48.730 4.429 454 HB2 LYS 56 HB2 LYS 56 24.016 49.444 2.000 455 HB3 LYS 56 HB3 LYS 56 25.471 48.625 2.554 456 HG2 LYS 56 HG2 LYS 56 24.585 46.519 1.572 457 HG3 LYS 56 HG3 LYS 56 23.246 47.453 0.901 458 HD2 LYS 56 HD2 LYS 56 26.090 48.242 0.374 459 HD3 LYS 56 HD3 LYS 56 25.308 46.983 -0.585 460 HE2 LYS 56 HE2 LYS 56 23.696 48.470 -1.421 461 HE3 LYS 56 HE3 LYS 56 24.048 49.679 -0.188 462 HZ1 LYS 56 HZ1 LYS 56 26.086 48.877 -2.169 463 HZ2 LYS 56 HZ2 LYS 56 26.014 50.288 -1.239 464 HZ3 LYS 56 HZ3 LYS 56 24.940 50.068 -2.527 465 H GLU 57 H GLU 57 22.076 46.454 2.568 466 HA GLU 57 HA GLU 57 19.666 47.805 3.446 467 HB2 GLU 57 HB2 GLU 57 20.234 47.422 0.500 468 HB3 GLU 57 HB3 GLU 57 18.730 48.017 1.191 469 HG2 GLU 57 HG2 GLU 57 19.959 49.952 2.105 470 HG3 GLU 57 HG3 GLU 57 21.416 49.371 1.302 471 H TYR 58 H TYR 58 21.142 45.150 3.584 472 HA TYR 58 HA TYR 58 19.863 43.136 2.201 473 HB2 TYR 58 HB2 TYR 58 20.728 41.643 3.780 474 HB3 TYR 58 HB3 TYR 58 21.826 43.016 3.881 475 HD1 TYR 58 HD2 TYR 58 20.297 44.900 5.538 476 HD2 TYR 58 HD1 TYR 58 20.745 40.684 5.900 477 HE1 TYR 58 HE2 TYR 58 19.870 45.067 7.954 478 HE2 TYR 58 HE1 TYR 58 20.318 40.840 8.316 479 HH TYR 58 HH TYR 58 19.601 42.187 9.977 480 H ASP 59 H ASP 59 18.199 41.629 2.866 481 HA ASP 59 HA ASP 59 16.082 42.943 4.440 482 HB2 ASP 59 HB2 ASP 59 15.512 40.797 2.424 483 HB3 ASP 59 HB3 ASP 59 14.459 42.084 3.007 484 H SER 60 H SER 60 14.353 40.915 4.841 485 HA SER 60 HA SER 60 15.832 39.233 6.712 486 HB2 SER 60 HB2 SER 60 13.272 40.487 6.732 487 HB3 SER 60 HB3 SER 60 13.022 38.745 6.837 488 HG SER 60 HG SER 60 13.337 39.373 8.899 489 H SER 61 H SER 61 14.191 39.044 3.693 490 HA SER 61 HA SER 61 13.319 36.431 3.581 491 HB2 SER 61 HB2 SER 61 14.279 36.741 1.064 492 HB3 SER 61 HB3 SER 61 12.766 37.451 1.626 493 HG SER 61 HG SER 61 14.786 38.739 0.651 494 H LEU 62 H LEU 62 16.586 37.673 3.407 495 HA LEU 62 HA LEU 62 17.745 35.173 2.589 496 HB2 LEU 62 HB2 LEU 62 19.872 36.267 2.898 497 HB3 LEU 62 HB3 LEU 62 18.770 37.326 2.020 498 HG LEU 62 HG LEU 62 18.506 38.009 4.732 499 HD11 LEU 62 HD11 LEU 62 21.356 37.505 3.925 500 HD12 LEU 62 HD12 LEU 62 20.514 36.969 5.378 501 HD13 LEU 62 HD13 LEU 62 20.914 38.673 5.171 502 HD21 LEU 62 HD21 LEU 62 19.321 40.138 4.005 503 HD22 LEU 62 HD22 LEU 62 18.344 39.452 2.706 504 HD23 LEU 62 HD23 LEU 62 20.105 39.416 2.600 505 H ALA 63 H ALA 63 17.146 36.843 5.607 506 HA ALA 63 HA ALA 63 18.793 35.196 7.236 507 HB1 ALA 63 HB1 ALA 63 16.415 36.471 8.443 508 HB2 ALA 63 HB2 ALA 63 18.100 36.481 8.966 509 HB3 ALA 63 HB3 ALA 63 17.577 37.540 7.656 510 H THR 64 H THR 64 17.218 34.362 9.312 511 HA THR 64 HA THR 64 16.061 32.535 10.029 512 HB THR 64 HB THR 64 13.858 32.312 9.321 513 HG1 THR 64 HG1 THR 64 13.360 32.147 7.270 514 HG21 THR 64 HG21 THR 64 14.523 35.073 8.302 515 HG22 THR 64 HG22 THR 64 14.434 34.656 10.014 516 HG23 THR 64 HG23 THR 64 12.999 34.520 8.998 517 H LEU 65 H LEU 65 14.945 30.384 9.089 518 HA LEU 65 HA LEU 65 16.578 29.331 6.896 519 HB2 LEU 65 HB2 LEU 65 16.555 27.184 8.511 520 HB3 LEU 65 HB3 LEU 65 17.875 28.349 8.442 521 HG LEU 65 HG LEU 65 16.926 29.499 10.408 522 HD11 LEU 65 HD11 LEU 65 14.575 28.692 9.949 523 HD12 LEU 65 HD12 LEU 65 15.104 28.635 11.630 524 HD13 LEU 65 HD13 LEU 65 15.060 27.157 10.668 525 HD21 LEU 65 HD21 LEU 65 17.094 27.014 11.718 526 HD22 LEU 65 HD22 LEU 65 18.368 28.214 11.500 527 HD23 LEU 65 HD23 LEU 65 18.162 26.921 10.317 528 H ASP 66 H ASP 66 14.583 29.505 5.722 529 HA ASP 66 HA ASP 66 12.140 28.420 6.377 530 HB2 ASP 66 HB2 ASP 66 13.460 29.296 3.973 531 HB3 ASP 66 HB3 ASP 66 12.515 27.848 3.640 532 H HIS 67 H HIS 67 11.649 26.451 7.060 533 HA HIS 67 HA HIS 67 13.086 24.157 5.893 534 HB2 HIS 67 HB2 HIS 67 12.031 24.614 8.676 535 HB3 HIS 67 HB3 HIS 67 12.369 22.994 8.075 536 HD1 HIS 67 HD1 HIS 67 14.062 23.384 10.297 537 HD2 HIS 67 HD2 HIS 67 15.071 25.138 6.668 538 HE1 HIS 67 HE1 HIS 67 16.526 23.869 10.447 539 H THR 68 H THR 68 11.909 22.309 5.354 540 HA THR 68 HA THR 68 8.993 22.713 5.189 541 HB THR 68 HB THR 68 10.833 21.278 3.269 542 HG1 THR 68 HG1 THR 68 10.421 23.699 3.261 543 HG21 THR 68 HG21 THR 68 8.784 20.835 1.947 544 HG22 THR 68 HG22 THR 68 7.816 21.426 3.298 545 HG23 THR 68 HG23 THR 68 8.804 19.977 3.487 546 H GLU 69 H GLU 69 7.804 21.335 6.324 547 HA GLU 69 HA GLU 69 9.013 19.040 7.577 548 HB2 GLU 69 HB2 GLU 69 6.876 18.768 8.703 549 HB3 GLU 69 HB3 GLU 69 7.389 20.448 8.779 550 HG2 GLU 69 HG2 GLU 69 5.887 20.932 6.860 551 HG3 GLU 69 HG3 GLU 69 5.297 19.273 6.967 552 H ILE 70 H ILE 70 7.755 16.927 7.577 553 HA ILE 70 HA ILE 70 6.801 16.318 4.855 554 HB ILE 70 HB ILE 70 8.642 14.689 6.597 555 HG12 ILE 70 HG12 ILE 70 9.822 14.670 4.233 556 HG13 ILE 70 HG13 ILE 70 8.849 16.113 3.975 557 HG21 ILE 70 HG21 ILE 70 7.378 12.955 5.856 558 HG22 ILE 70 HG22 ILE 70 6.790 13.840 4.450 559 HG23 ILE 70 HG23 ILE 70 8.411 13.144 4.439 560 HD11 ILE 70 HD11 ILE 70 9.853 17.143 5.942 561 HD12 ILE 70 HD12 ILE 70 10.824 15.694 6.205 562 HD13 ILE 70 HD13 ILE 70 11.074 16.674 4.760 563 H LYS 71 H LYS 71 4.643 16.219 5.236 564 HA LYS 71 HA LYS 71 3.644 14.693 7.512 565 HB2 LYS 71 HB2 LYS 71 1.415 15.511 6.747 566 HB3 LYS 71 HB3 LYS 71 2.550 16.799 7.127 567 HG2 LYS 71 HG2 LYS 71 2.856 16.214 4.385 568 HG3 LYS 71 HG3 LYS 71 1.124 16.318 4.710 569 HD2 LYS 71 HD2 LYS 71 1.585 18.524 4.309 570 HD3 LYS 71 HD3 LYS 71 1.855 18.469 6.053 571 HE2 LYS 71 HE2 LYS 71 3.664 19.660 4.964 572 HE3 LYS 71 HE3 LYS 71 4.260 18.151 5.652 573 HZ1 LYS 71 HZ1 LYS 71 3.477 17.569 3.066 574 HZ2 LYS 71 HZ2 LYS 71 5.058 17.670 3.658 575 HZ3 LYS 71 HZ3 LYS 71 4.328 19.028 2.963 576 H ALA 72 H ALA 72 2.247 12.916 7.308 577 HA ALA 72 HA ALA 72 2.858 11.161 5.149 578 HB1 ALA 72 HB1 ALA 72 1.580 10.982 7.726 579 HB2 ALA 72 HB2 ALA 72 0.670 10.091 6.505 580 HB3 ALA 72 HB3 ALA 72 2.374 9.726 6.775 581 HA PRO 73 HA PRO 73 -0.330 12.168 2.290 582 HB2 PRO 73 HB2 PRO 73 -0.579 9.778 1.026 583 HB3 PRO 73 HB3 PRO 73 0.804 10.853 0.784 584 HG2 PRO 73 HG2 PRO 73 0.570 8.430 2.527 585 HG3 PRO 73 HG3 PRO 73 1.906 8.924 1.469 586 HD2 PRO 73 HD2 PRO 73 1.948 9.313 4.149 587 HD3 PRO 73 HD3 PRO 73 2.737 10.423 3.010 588 H PHE 74 H PHE 74 -0.723 9.084 4.024 589 HA PHE 74 HA PHE 74 -3.414 9.778 4.766 590 HB2 PHE 74 HB2 PHE 74 -4.335 7.612 3.771 591 HB3 PHE 74 HB3 PHE 74 -4.023 8.929 2.645 592 HD1 PHE 74 HD2 PHE 74 -2.894 5.644 3.818 593 HD2 PHE 74 HD1 PHE 74 -2.308 8.764 0.983 594 HE1 PHE 74 HE2 PHE 74 -1.471 4.152 2.475 595 HE2 PHE 74 HE1 PHE 74 -0.885 7.277 -0.365 596 HZ PHE 74 HZ PHE 74 -0.463 4.968 0.382 597 H ASP 75 H ASP 75 -4.256 8.450 6.411 598 HA ASP 75 HA ASP 75 -2.479 7.483 8.280 599 HB2 ASP 75 HB2 ASP 75 -4.365 6.499 9.413 600 HB3 ASP 75 HB3 ASP 75 -4.888 8.015 8.684 601 H GLY 76 H GLY 76 -2.400 5.182 9.133 602 HA2 GLY 76 HA2 GLY 76 -2.855 2.830 8.064 603 HA3 GLY 76 HA3 GLY 76 -1.702 3.438 6.885 604 H THR 77 H THR 77 -0.124 1.923 7.313 605 HA THR 77 HA THR 77 1.036 1.982 10.020 606 HB THR 77 HB THR 77 1.225 -0.165 7.899 607 HG1 THR 77 HG1 THR 77 0.153 -0.387 10.517 608 HG21 THR 77 HG21 THR 77 3.282 -0.361 8.926 609 HG22 THR 77 HG22 THR 77 2.289 -1.388 9.961 610 HG23 THR 77 HG23 THR 77 2.689 0.253 10.468 611 H ILE 78 H ILE 78 3.040 2.743 10.293 612 HA ILE 78 HA ILE 78 4.549 3.513 7.896 613 HB ILE 78 HB ILE 78 4.052 5.341 9.433 614 HG12 ILE 78 HG12 ILE 78 6.398 6.121 9.823 615 HG13 ILE 78 HG13 ILE 78 6.961 4.512 9.386 616 HG21 ILE 78 HG21 ILE 78 5.201 5.337 11.679 617 HG22 ILE 78 HG22 ILE 78 3.823 4.250 11.519 618 HG23 ILE 78 HG23 ILE 78 5.464 3.609 11.447 619 HD11 ILE 78 HD11 ILE 78 5.232 6.032 7.494 620 HD12 ILE 78 HD12 ILE 78 6.948 6.415 7.625 621 HD13 ILE 78 HD13 ILE 78 6.440 4.790 7.167 622 H GLY 79 H GLY 79 6.649 2.882 7.564 623 HA2 GLY 79 HA2 GLY 79 7.505 0.541 9.068 624 HA3 GLY 79 HA3 GLY 79 8.212 1.138 7.573 625 H ASP 80 H ASP 80 10.325 1.070 8.283 626 HA ASP 80 HA ASP 80 11.005 2.780 10.576 627 HB2 ASP 80 HB2 ASP 80 13.300 1.576 10.240 628 HB3 ASP 80 HB3 ASP 80 11.974 0.717 11.017 629 H ALA 81 H ALA 81 13.370 3.694 10.267 630 HA ALA 81 HA ALA 81 13.264 5.283 7.812 631 HB1 ALA 81 HB1 ALA 81 14.186 5.746 10.544 632 HB2 ALA 81 HB2 ALA 81 15.294 6.346 9.309 633 HB3 ALA 81 HB3 ALA 81 13.616 6.890 9.328 634 H LEU 82 H LEU 82 15.148 5.642 6.537 635 HA LEU 82 HA LEU 82 17.039 3.391 6.634 636 HB2 LEU 82 HB2 LEU 82 16.100 5.100 4.341 637 HB3 LEU 82 HB3 LEU 82 17.440 3.961 4.219 638 HG LEU 82 HG LEU 82 14.681 3.087 5.031 639 HD11 LEU 82 HD11 LEU 82 13.918 3.102 2.935 640 HD12 LEU 82 HD12 LEU 82 15.455 2.546 2.274 641 HD13 LEU 82 HD13 LEU 82 15.207 4.260 2.609 642 HD21 LEU 82 HD21 LEU 82 15.454 0.918 4.314 643 HD22 LEU 82 HD22 LEU 82 16.598 1.591 5.475 644 HD23 LEU 82 HD23 LEU 82 16.977 1.607 3.752 645 H VAL 83 H VAL 83 16.759 6.880 6.308 646 HA VAL 83 HA VAL 83 19.686 7.118 6.465 647 HB VAL 83 HB VAL 83 19.448 9.391 5.667 648 HG11 VAL 83 HG11 VAL 83 19.298 8.757 3.522 649 HG12 VAL 83 HG12 VAL 83 19.036 7.138 4.174 650 HG13 VAL 83 HG13 VAL 83 17.657 8.141 3.722 651 HG21 VAL 83 HG21 VAL 83 16.620 8.917 6.312 652 HG22 VAL 83 HG22 VAL 83 17.554 10.412 6.330 653 HG23 VAL 83 HG23 VAL 83 16.909 9.794 4.809 654 H ASN 84 H ASN 84 20.130 9.493 7.524 655 HA ASN 84 HA ASN 84 18.771 9.462 10.139 656 HB2 ASN 84 HB2 ASN 84 21.693 10.050 9.606 657 HB3 ASN 84 HB3 ASN 84 20.903 10.099 11.180 658 HD21 ASN 84 HD21 ASN 84 22.487 8.181 8.890 659 HD22 ASN 84 HD22 ASN 84 22.278 6.652 9.667 660 H ILE 85 H ILE 85 19.718 11.668 11.308 661 HA ILE 85 HA ILE 85 18.559 13.785 9.682 662 HB ILE 85 HB ILE 85 19.413 13.751 12.578 663 HG12 ILE 85 HG12 ILE 85 16.695 13.713 11.251 664 HG13 ILE 85 HG13 ILE 85 17.439 12.395 12.149 665 HG21 ILE 85 HG21 ILE 85 18.032 15.921 11.005 666 HG22 ILE 85 HG22 ILE 85 18.280 15.924 12.750 667 HG23 ILE 85 HG23 ILE 85 19.666 15.984 11.661 668 HD11 ILE 85 HD11 ILE 85 15.746 13.518 13.472 669 HD12 ILE 85 HD12 ILE 85 17.345 13.730 14.186 670 HD13 ILE 85 HD13 ILE 85 16.599 15.050 13.285 671 H GLY 86 H GLY 86 19.590 15.722 9.174 672 HA2 GLY 86 HA2 GLY 86 21.363 17.201 8.908 673 HA3 GLY 86 HA3 GLY 86 22.345 16.161 9.928 674 H ASP 87 H ASP 87 20.756 14.543 7.391 675 HA ASP 87 HA ASP 87 23.270 14.484 5.855 676 HB2 ASP 87 HB2 ASP 87 21.816 12.371 6.970 677 HB3 ASP 87 HB3 ASP 87 21.449 12.311 5.249 678 H TYR 88 H TYR 88 23.250 15.093 3.780 679 HA TYR 88 HA TYR 88 21.031 16.432 2.685 680 HB2 TYR 88 HB2 TYR 88 23.395 16.891 2.074 681 HB3 TYR 88 HB3 TYR 88 23.448 15.353 1.221 682 HD1 TYR 88 HD2 TYR 88 21.932 15.021 -0.772 683 HD2 TYR 88 HD1 TYR 88 22.525 18.825 1.040 684 HE1 TYR 88 HE2 TYR 88 21.087 16.116 -2.805 685 HE2 TYR 88 HE1 TYR 88 21.680 19.930 -0.987 686 HH TYR 88 HH TYR 88 20.779 19.648 -2.999 687 H VAL 89 H VAL 89 19.450 15.827 1.302 688 HA VAL 89 HA VAL 89 19.507 13.093 0.226 689 HB VAL 89 HB VAL 89 16.990 13.028 0.696 690 HG11 VAL 89 HG11 VAL 89 17.541 12.494 3.226 691 HG12 VAL 89 HG12 VAL 89 18.127 11.467 1.916 692 HG13 VAL 89 HG13 VAL 89 19.199 12.661 2.649 693 HG21 VAL 89 HG21 VAL 89 16.001 14.526 2.071 694 HG22 VAL 89 HG22 VAL 89 17.454 14.759 3.042 695 HG23 VAL 89 HG23 VAL 89 17.290 15.578 1.488 696 H SER 90 H SER 90 18.314 12.772 -1.683 697 HA SER 90 HA SER 90 18.110 15.121 -3.334 698 HB2 SER 90 HB2 SER 90 18.422 12.308 -3.752 699 HB3 SER 90 HB3 SER 90 17.025 12.862 -4.674 700 HG SER 90 HG SER 90 18.347 13.779 -6.009 701 H ALA 91 H ALA 91 16.039 14.680 -5.011 702 HA ALA 91 HA ALA 91 13.849 15.775 -3.664 703 HB1 ALA 91 HB1 ALA 91 13.633 14.266 -6.253 704 HB2 ALA 91 HB2 ALA 91 12.677 15.642 -5.702 705 HB3 ALA 91 HB3 ALA 91 14.369 15.865 -6.146 706 H SER 92 H SER 92 11.719 14.179 -4.856 707 HA SER 92 HA SER 92 11.005 12.601 -2.688 708 HB2 SER 92 HB2 SER 92 9.839 13.344 -5.130 709 HB3 SER 92 HB3 SER 92 9.824 11.581 -5.127 710 HG SER 92 HG SER 92 8.402 13.358 -3.589 711 H THR 93 H THR 93 13.228 11.938 -5.173 712 HA THR 93 HA THR 93 13.060 9.195 -5.521 713 HB THR 93 HB THR 93 15.572 10.875 -5.395 714 HG1 THR 93 HG1 THR 93 13.689 10.296 -7.421 715 HG21 THR 93 HG21 THR 93 15.116 8.032 -5.896 716 HG22 THR 93 HG22 THR 93 16.611 8.889 -5.524 717 HG23 THR 93 HG23 THR 93 16.012 8.837 -7.181 718 H THR 94 H THR 94 14.355 11.032 -2.839 719 HA THR 94 HA THR 94 15.677 8.825 -1.588 720 HB THR 94 HB THR 94 16.386 11.115 -1.118 721 HG1 THR 94 HG1 THR 94 16.816 9.674 0.534 722 HG21 THR 94 HG21 THR 94 14.160 11.735 0.688 723 HG22 THR 94 HG22 THR 94 13.726 11.730 -1.022 724 HG23 THR 94 HG23 THR 94 15.024 12.774 -0.444 725 H GLU 95 H GLU 95 14.473 7.115 -1.008 726 HA GLU 95 HA GLU 95 11.884 7.566 0.287 727 HB2 GLU 95 HB2 GLU 95 11.710 5.024 0.022 728 HB3 GLU 95 HB3 GLU 95 11.642 5.997 -1.441 729 HG2 GLU 95 HG2 GLU 95 13.489 5.077 -2.274 730 HG3 GLU 95 HG3 GLU 95 14.346 5.185 -0.739 731 H LEU 96 H LEU 96 13.420 8.384 2.098 732 HA LEU 96 HA LEU 96 14.949 6.664 3.654 733 HB2 LEU 96 HB2 LEU 96 14.114 8.285 5.551 734 HB3 LEU 96 HB3 LEU 96 15.231 8.826 4.299 735 HG LEU 96 HG LEU 96 13.285 10.366 4.944 736 HD11 LEU 96 HD11 LEU 96 12.937 10.259 2.128 737 HD12 LEU 96 HD12 LEU 96 14.614 9.854 2.496 738 HD13 LEU 96 HD13 LEU 96 13.925 11.370 3.078 739 HD21 LEU 96 HD21 LEU 96 11.648 8.391 4.774 740 HD22 LEU 96 HD22 LEU 96 11.725 8.662 3.032 741 HD23 LEU 96 HD23 LEU 96 11.154 9.945 4.102 742 H VAL 97 H VAL 97 11.553 6.788 3.236 743 HA VAL 97 HA VAL 97 11.166 4.472 4.862 744 HB VAL 97 HB VAL 97 11.173 6.286 6.586 745 HG11 VAL 97 HG11 VAL 97 8.547 7.281 6.185 746 HG12 VAL 97 HG12 VAL 97 10.067 8.177 6.231 747 HG13 VAL 97 HG13 VAL 97 9.462 7.543 4.700 748 HG21 VAL 97 HG21 VAL 97 8.405 5.191 6.495 749 HG22 VAL 97 HG22 VAL 97 9.761 4.066 6.554 750 HG23 VAL 97 HG23 VAL 97 9.548 5.257 7.836 751 H ARG 98 H ARG 98 8.958 3.659 4.751 752 HA ARG 98 HA ARG 98 7.283 4.910 2.697 753 HB2 ARG 98 HB2 ARG 98 7.004 2.864 1.479 754 HB3 ARG 98 HB3 ARG 98 8.729 3.169 1.633 755 HG2 ARG 98 HG2 ARG 98 7.285 1.379 3.553 756 HG3 ARG 98 HG3 ARG 98 7.886 0.786 2.003 757 HD2 ARG 98 HD2 ARG 98 10.098 1.993 2.829 758 HD3 ARG 98 HD3 ARG 98 9.377 1.686 4.410 759 HE ARG 98 HE ARG 98 10.581 -0.230 2.680 760 HH11 ARG 98 HH11 ARG 98 8.073 0.206 5.055 761 HH12 ARG 98 HH12 ARG 98 8.071 -1.456 5.548 762 HH21 ARG 98 HH21 ARG 98 10.588 -2.419 3.321 763 HH22 ARG 98 HH22 ARG 98 9.503 -2.947 4.562 764 H VAL 99 H VAL 99 5.070 4.175 2.711 765 HA VAL 99 HA VAL 99 4.262 3.155 5.353 766 HB VAL 99 HB VAL 99 2.930 5.068 3.459 767 HG11 VAL 99 HG11 VAL 99 1.099 3.724 3.908 768 HG12 VAL 99 HG12 VAL 99 1.659 3.326 5.534 769 HG13 VAL 99 HG13 VAL 99 1.007 4.929 5.191 770 HG21 VAL 99 HG21 VAL 99 2.900 5.538 6.349 771 HG22 VAL 99 HG22 VAL 99 4.514 5.465 5.643 772 HG23 VAL 99 HG23 VAL 99 3.334 6.622 5.028 773 H THR 100 H THR 100 2.788 1.507 5.521 774 HA THR 100 HA THR 100 2.081 0.148 3.002 775 HB THR 100 HB THR 100 2.267 -1.963 4.064 776 HG1 THR 100 HG1 THR 100 2.752 -2.065 6.359 777 HG21 THR 100 HG21 THR 100 4.579 -2.024 4.813 778 HG22 THR 100 HG22 THR 100 4.560 -0.281 5.081 779 HG23 THR 100 HG23 THR 100 4.417 -0.924 3.446 780 H ASN 101 H ASN 101 0.161 -1.402 3.347 781 HA ASN 101 HA ASN 101 -2.033 -1.749 3.858 782 HB2 ASN 101 HB2 ASN 101 -0.934 -0.910 6.267 783 HB3 ASN 101 HB3 ASN 101 -2.318 0.156 6.045 784 HD21 ASN 101 HD21 ASN 101 -1.359 -2.677 7.349 785 HD22 ASN 101 HD22 ASN 101 -2.870 -3.513 7.393 786 H LEU 102 H LEU 102 -4.126 -0.270 4.440 787 HA LEU 102 HA LEU 102 -5.547 1.347 3.705 788 HB2 LEU 102 HB2 LEU 102 -3.116 2.679 4.264 789 HB3 LEU 102 HB3 LEU 102 -3.740 3.343 2.755 790 HG LEU 102 HG LEU 102 -4.517 4.728 4.522 791 HD11 LEU 102 HD11 LEU 102 -6.132 4.095 2.715 792 HD12 LEU 102 HD12 LEU 102 -6.874 4.635 4.221 793 HD13 LEU 102 HD13 LEU 102 -6.820 2.915 3.833 794 HD21 LEU 102 HD21 LEU 102 -6.171 2.977 6.042 795 HD22 LEU 102 HD22 LEU 102 -4.815 3.966 6.584 796 HD23 LEU 102 HD23 LEU 102 -4.534 2.322 6.009 797 H ASN 103 H ASN 103 -6.447 2.184 1.772 798 HA ASN 103 HA ASN 103 -6.013 0.692 -0.519 799 HB2 ASN 103 HB2 ASN 103 -7.339 3.358 -0.072 800 HB3 ASN 103 HB3 ASN 103 -7.259 2.633 -1.676 801 HD21 ASN 103 HD21 ASN 103 -9.053 2.896 1.087 802 HD22 ASN 103 HD22 ASN 103 -10.080 1.521 0.883 803 HA PRO 104 HA PRO 104 -2.517 2.404 -2.550 804 HB2 PRO 104 HB2 PRO 104 -3.201 2.036 -5.151 805 HB3 PRO 104 HB3 PRO 104 -2.732 0.707 -4.083 806 HG2 PRO 104 HG2 PRO 104 -5.469 1.611 -4.895 807 HG3 PRO 104 HG3 PRO 104 -4.828 -0.038 -4.761 808 HD2 PRO 104 HD2 PRO 104 -6.384 1.079 -2.847 809 HD3 PRO 104 HD3 PRO 104 -5.108 -0.097 -2.475 810 H ILE 105 H ILE 105 -2.673 4.601 -1.990 811 HA ILE 105 HA ILE 105 -4.048 6.307 -3.962 812 HB ILE 105 HB ILE 105 -3.287 7.034 -1.132 813 HG12 ILE 105 HG12 ILE 105 -6.101 7.079 -1.582 814 HG13 ILE 105 HG13 ILE 105 -5.494 5.517 -2.120 815 HG21 ILE 105 HG21 ILE 105 -5.166 8.822 -1.915 816 HG22 ILE 105 HG22 ILE 105 -3.428 9.097 -2.008 817 HG23 ILE 105 HG23 ILE 105 -4.310 8.545 -3.431 818 HD11 ILE 105 HD11 ILE 105 -5.438 6.727 0.607 819 HD12 ILE 105 HD12 ILE 105 -6.010 5.139 0.094 820 HD13 ILE 105 HD13 ILE 105 -4.280 5.475 0.158 821 H TYR 106 H TYR 106 -2.971 8.093 -4.806 822 HA TYR 106 HA TYR 106 -0.363 8.878 -4.009 823 HB2 TYR 106 HB2 TYR 106 0.693 8.170 -6.256 824 HB3 TYR 106 HB3 TYR 106 0.525 6.951 -4.997 825 HD1 TYR 106 HD2 TYR 106 -1.235 5.221 -5.179 826 HD2 TYR 106 HD1 TYR 106 -0.499 7.993 -8.322 827 HE1 TYR 106 HE2 TYR 106 -2.480 3.779 -6.736 828 HE2 TYR 106 HE1 TYR 106 -1.742 6.558 -9.887 829 HH TYR 106 HH TYR 106 -3.824 4.374 -9.119 830 H ALA 107 H ALA 107 0.109 10.860 -4.797 831 HA ALA 107 HA ALA 107 -0.754 11.866 -7.291 832 HB1 ALA 107 HB1 ALA 107 -2.848 11.790 -5.598 833 HB2 ALA 107 HB2 ALA 107 -2.198 13.387 -5.223 834 HB3 ALA 107 HB3 ALA 107 -2.663 12.991 -6.877 835 H ASP 108 H ASP 108 0.757 13.294 -7.805 836 HA ASP 108 HA ASP 108 1.828 15.047 -5.697 837 HB2 ASP 108 HB2 ASP 108 3.248 13.099 -7.330 838 HB3 ASP 108 HB3 ASP 108 3.920 14.718 -7.496 839 H GLY 109 H GLY 109 3.067 16.937 -6.684 840 HA2 GLY 109 HA2 GLY 109 1.457 17.978 -8.918 841 HA3 GLY 109 HA3 GLY 109 2.280 18.959 -7.715 842 H SER 110 H SER 110 4.808 17.925 -7.727 843 HA SER 110 HA SER 110 5.981 19.195 -9.922 844 HB2 SER 110 HB2 SER 110 8.074 17.927 -9.183 845 HB3 SER 110 HB3 SER 110 7.305 18.948 -7.967 846 HG SER 110 HG SER 110 7.102 17.226 -6.801 847 H HIS 111 H HIS 111 5.439 15.742 -9.302 848 HA HIS 111 HA HIS 111 5.384 13.934 -10.680 849 HB2 HIS 111 HB2 HIS 111 4.506 16.180 -12.379 850 HB3 HIS 111 HB3 HIS 111 5.080 14.764 -13.254 851 HD1 HIS 111 HD1 HIS 111 2.272 15.996 -11.162 852 HD2 HIS 111 HD2 HIS 111 3.499 12.437 -12.921 853 HE1 HIS 111 HE1 HIS 111 0.277 14.468 -11.052 854 H HIS 112 H HIS 112 7.598 13.494 -10.228 855 HA HIS 112 HA HIS 112 9.253 13.577 -12.612 856 HB2 HIS 112 HB2 HIS 112 11.189 14.533 -11.494 857 HB3 HIS 112 HB3 HIS 112 9.836 15.658 -11.404 858 HD1 HIS 112 HD1 HIS 112 8.371 15.086 -8.982 859 HD2 HIS 112 HD2 HIS 112 12.482 14.496 -9.136 860 HE1 HIS 112 HE1 HIS 112 9.145 15.118 -6.589 861 H HIS 113 H HIS 113 7.935 11.451 -11.322 862 HA HIS 113 HA HIS 113 10.019 10.010 -9.868 863 HB2 HIS 113 HB2 HIS 113 8.319 8.412 -9.293 864 HB3 HIS 113 HB3 HIS 113 7.656 10.023 -9.036 865 HD1 HIS 113 HD1 HIS 113 6.821 6.878 -10.510 866 HD2 HIS 113 HD2 HIS 113 6.031 10.852 -11.427 867 HE1 HIS 113 HE1 HIS 113 4.835 6.830 -12.052 868 H HIS 114 H HIS 114 11.000 8.168 -10.605 869 HA HIS 114 HA HIS 114 10.222 7.093 -13.206 870 HB2 HIS 114 HB2 HIS 114 12.147 8.952 -13.219 871 HB3 HIS 114 HB3 HIS 114 13.136 7.550 -12.823 872 HD1 HIS 114 HD1 HIS 114 12.685 5.438 -14.588 873 HD2 HIS 114 HD2 HIS 114 11.845 9.296 -15.879 874 HE1 HIS 114 HE1 HIS 114 12.644 5.313 -17.098 875 H HIS 115 H HIS 115 10.062 6.106 -10.485 876 HA HIS 115 HA HIS 115 12.148 4.194 -10.069 877 HB2 HIS 115 HB2 HIS 115 9.566 4.877 -8.763 878 HB3 HIS 115 HB3 HIS 115 10.186 3.248 -8.504 879 HD1 HIS 115 HD1 HIS 115 12.420 3.029 -7.183 880 HD2 HIS 115 HD2 HIS 115 10.956 6.907 -7.466 881 HE1 HIS 115 HE1 HIS 115 13.717 4.363 -5.491 882 H HIS 116 H HIS 116 8.844 4.049 -11.339 883 HA HIS 116 HA HIS 116 7.753 2.491 -12.587 884 HB2 HIS 116 HB2 HIS 116 10.225 2.726 -13.715 885 HB3 HIS 116 HB3 HIS 116 10.171 0.998 -13.372 886 HD1 HIS 116 HD1 HIS 116 8.075 -0.303 -14.456 887 HD2 HIS 116 HD2 HIS 116 8.861 3.493 -15.948 888 HE1 HIS 116 HE1 HIS 116 6.846 -0.174 -16.646 889 H2 B6D 117 H2 B6D 117 26.446 27.488 12.333 890 H1 B6D 117 H1 B6D 117 23.707 28.498 11.356 891 H3 B6D 117 H3 B6D 117 23.663 27.234 13.577 892 HN2 B6D 117 HN2 B6D 117 24.096 25.952 11.355 893 H5 B6D 117 H5 B6D 117 23.484 29.871 13.524 894 H8 B6D 117 H22 B6D 117 25.902 24.140 9.158 895 H8A B6D 117 H21 B6D 117 24.409 24.138 10.125 896 H8B B6D 117 H23 B6D 117 25.799 23.136 10.624 897 H4 B6D 117 H4 B6D 117 26.162 28.743 14.485 898 HN4 B6D 117 HN4 B6D 117 25.131 28.576 16.493 899 H9 B6D 117 H43 B6D 117 23.057 28.041 18.001 900 H9A B6D 117 H41 B6D 117 23.248 29.812 17.911 901 H9B B6D 117 H42 B6D 117 21.666 29.074 17.564 902 H6 B6D 117 H62 B6D 117 25.963 31.550 13.679 903 H6A B6D 117 H63 B6D 117 24.269 31.998 13.956 904 H6B B6D 117 H61 B6D 117 25.182 31.165 15.224 905 H1 A2G 118 H1 A2G 118 23.522 26.053 15.546 906 H2 A2G 118 H2 A2G 118 24.343 24.148 16.931 907 H3 A2G 118 H3 A2G 118 26.892 24.524 15.282 908 H4 A2G 118 H4 A2G 118 26.514 22.237 14.565 909 H5 A2G 118 H5 A2G 118 25.488 23.871 13.254 910 H61 A2G 118 H61 A2G 118 23.891 21.391 13.442 911 H62 A2G 118 H62 A2G 118 24.780 22.105 12.088 912 H81 A2G 118 H81 A2G 118 24.944 27.358 20.160 913 H82 A2G 118 H82 A2G 118 26.132 27.725 18.884 914 H83 A2G 118 H83 A2G 118 26.557 26.584 20.184 915 HO3 A2G 118 HO3 A2G 118 27.899 23.267 16.687 916 HO6 A2G 118 HO6 A2G 118 22.554 22.295 11.710 917 HN2 A2G 118 HN2 A2G 118 26.043 26.571 16.974 918 H1 A2G 119 H1 A2G 119 25.187 20.242 14.447 919 H2 A2G 119 H2 A2G 119 23.828 18.600 15.742 920 H3 A2G 119 H3 A2G 119 23.361 20.995 17.588 921 H4 A2G 119 H4 A2G 119 24.403 19.615 19.292 922 H5 A2G 119 H5 A2G 119 25.871 20.931 18.045 923 H61 A2G 119 H61 A2G 119 27.458 18.374 18.112 924 H62 A2G 119 H62 A2G 119 27.006 19.283 19.561 925 H81 A2G 119 H81 A2G 119 21.067 20.345 12.805 926 H82 A2G 119 H82 A2G 119 19.948 20.558 14.175 927 H83 A2G 119 H83 A2G 119 19.911 19.047 13.231 928 HO3 A2G 119 HO3 A2G 119 21.794 19.877 18.519 929 HO6 A2G 119 HO6 A2G 119 28.157 21.051 18.822 930 HN2 A2G 119 HN2 A2G 119 22.540 21.072 14.801 931 H1 A2G 120 H1 A2G 120 25.329 17.644 20.109 932 H2 A2G 120 H2 A2G 120 25.448 15.156 20.000 933 H3 A2G 120 H3 A2G 120 24.456 15.600 17.140 934 H4 A2G 120 H4 A2G 120 22.554 14.252 17.814 935 H5 A2G 120 H5 A2G 120 22.331 16.543 18.192 936 H61 A2G 120 H61 A2G 120 21.199 15.763 20.837 937 H62 A2G 120 H62 A2G 120 20.589 14.990 19.367 938 H81 A2G 120 H81 A2G 120 29.426 17.468 18.620 939 H82 A2G 120 H82 A2G 120 29.279 15.796 18.019 940 H83 A2G 120 H83 A2G 120 29.965 16.096 19.636 941 HO6 A2G 120 HO6 A2G 120 19.385 16.828 19.616 942 HN2 A2G 120 HN2 A2G 120 27.012 15.756 17.687 943 H1 A2G 121 H1 A2G 121 21.298 13.033 19.342 944 H2 A2G 121 H2 A2G 121 21.209 11.571 21.361 945 H3 A2G 121 H3 A2G 121 23.993 12.731 21.874 946 H4 A2G 121 H4 A2G 121 24.744 10.427 21.753 947 H5 A2G 121 H5 A2G 121 24.702 11.566 19.718 948 H61 A2G 121 H61 A2G 121 24.517 8.759 19.611 949 H62 A2G 121 H62 A2G 121 25.322 9.870 18.493 950 H81 A2G 121 H81 A2G 121 20.360 15.381 23.481 951 H82 A2G 121 H82 A2G 121 18.803 14.608 23.875 952 H83 A2G 121 H83 A2G 121 18.990 15.484 22.334 953 HO3 A2G 121 HO3 A2G 121 22.230 11.300 23.559 954 HO6 A2G 121 HO6 A2G 121 22.535 9.578 18.253 955 HN2 A2G 121 HN2 A2G 121 21.885 14.350 22.125 956 H1 A2G 122 H1 A2G 122 24.435 8.140 21.599 957 H2 A2G 122 H2 A2G 122 22.957 6.160 21.935 958 H3 A2G 122 H3 A2G 122 20.733 8.257 21.813 959 H4 A2G 122 H4 A2G 122 20.188 7.502 24.055 960 H5 A2G 122 H5 A2G 122 21.750 9.230 23.941 961 H61 A2G 122 H61 A2G 122 23.262 7.720 26.014 962 H62 A2G 122 H62 A2G 122 21.528 7.990 26.240 963 H81 A2G 122 H81 A2G 122 22.879 5.145 17.481 964 H82 A2G 122 H82 A2G 122 24.212 6.327 17.446 965 H83 A2G 122 H83 A2G 122 22.527 6.897 17.557 966 HO3 A2G 122 HO3 A2G 122 19.497 6.181 22.227 967 HO6 A2G 122 HO6 A2G 122 22.068 9.929 26.855 968 HN2 A2G 122 HN2 A2G 122 21.960 7.623 19.579 969 H2 BGC 123 H2 BGC 123 26.262 11.641 16.663 970 H3 BGC 123 H3 BGC 123 25.379 11.857 13.757 971 H4 BGC 123 H4 BGC 123 24.077 9.945 15.769 972 H5 BGC 123 H5 BGC 123 22.925 12.507 14.540 973 H6C1 BGC 123 H61 BGC 123 21.160 11.823 16.513 974 H6C2 BGC 123 H62 BGC 123 20.928 11.361 14.816 975 H1 BGC 123 H1 BGC 123 24.602 13.992 15.620 976 HB BGC 123 HO2 BGC 123 27.768 12.799 15.766 977 HC BGC 123 HO3 BGC 123 26.077 9.620 13.905 978 HD BGC 123 HO4 BGC 123 22.945 9.350 13.981 979 H6 BGC 123 HO6 BGC 123 20.853 9.596 16.449 Start of MODEL 17 1 H1 ASP 1 H ASP 1 0.279 -0.142 -0.522 2 HA ASP 1 HA ASP 1 3.079 -0.296 -0.133 3 HB2 ASP 1 HB2 ASP 1 1.655 -1.827 -1.571 4 HB3 ASP 1 HB3 ASP 1 1.645 -0.543 -2.778 5 H VAL 2 H VAL 2 3.319 2.056 0.383 6 HA VAL 2 HA VAL 2 4.202 3.457 -2.020 7 HB VAL 2 HB VAL 2 2.367 4.732 0.014 8 HG11 VAL 2 HG11 VAL 2 3.508 6.584 -0.538 9 HG12 VAL 2 HG12 VAL 2 4.222 5.838 -1.969 10 HG13 VAL 2 HG13 VAL 2 2.588 6.499 -2.041 11 HG21 VAL 2 HG21 VAL 2 1.170 3.299 -1.546 12 HG22 VAL 2 HG22 VAL 2 0.824 4.997 -1.877 13 HG23 VAL 2 HG23 VAL 2 1.946 4.107 -2.907 14 H ILE 3 H ILE 3 5.933 4.815 -1.697 15 HA ILE 3 HA ILE 3 7.194 4.623 0.942 16 HB ILE 3 HB ILE 3 8.389 5.420 -1.716 17 HG12 ILE 3 HG12 ILE 3 8.645 2.883 -0.086 18 HG13 ILE 3 HG13 ILE 3 7.804 3.048 -1.624 19 HG21 ILE 3 HG21 ILE 3 9.707 4.974 0.959 20 HG22 ILE 3 HG22 ILE 3 10.545 5.281 -0.561 21 HG23 ILE 3 HG23 ILE 3 9.508 6.523 0.141 22 HD11 ILE 3 HD11 ILE 3 9.720 2.285 -2.480 23 HD12 ILE 3 HD12 ILE 3 10.273 3.948 -2.278 24 HD13 ILE 3 HD13 ILE 3 10.656 2.737 -1.055 25 H ILE 4 H ILE 4 7.402 6.336 2.230 26 HA ILE 4 HA ILE 4 6.333 8.883 1.381 27 HB ILE 4 HB ILE 4 7.410 7.907 4.021 28 HG12 ILE 4 HG12 ILE 4 4.654 8.644 3.020 29 HG13 ILE 4 HG13 ILE 4 5.222 7.044 3.487 30 HG21 ILE 4 HG21 ILE 4 6.345 10.642 3.333 31 HG22 ILE 4 HG22 ILE 4 6.666 10.058 4.965 32 HG23 ILE 4 HG23 ILE 4 7.994 10.247 3.819 33 HD11 ILE 4 HD11 ILE 4 4.833 9.404 5.311 34 HD12 ILE 4 HD12 ILE 4 3.812 7.969 5.207 35 HD13 ILE 4 HD13 ILE 4 5.469 7.833 5.798 36 H LYS 5 H LYS 5 7.586 10.195 0.226 37 HA LYS 5 HA LYS 5 10.330 10.677 1.169 38 HB2 LYS 5 HB2 LYS 5 9.474 10.487 -1.726 39 HB3 LYS 5 HB3 LYS 5 11.090 10.884 -1.153 40 HG2 LYS 5 HG2 LYS 5 11.615 8.739 -1.086 41 HG3 LYS 5 HG3 LYS 5 10.289 8.427 0.037 42 HD2 LYS 5 HD2 LYS 5 8.999 7.531 -1.564 43 HD3 LYS 5 HD3 LYS 5 9.423 8.785 -2.732 44 HE2 LYS 5 HE2 LYS 5 11.756 7.345 -2.487 45 HE3 LYS 5 HE3 LYS 5 10.510 6.102 -2.381 46 HZ1 LYS 5 HZ1 LYS 5 9.854 6.446 -4.506 47 HZ2 LYS 5 HZ2 LYS 5 11.458 6.952 -4.680 48 HZ3 LYS 5 HZ3 LYS 5 10.226 8.096 -4.493 49 HA PRO 6 HA PRO 6 9.348 14.953 1.051 50 HB2 PRO 6 HB2 PRO 6 11.746 16.037 0.384 51 HB3 PRO 6 HB3 PRO 6 11.417 15.336 1.973 52 HG2 PRO 6 HG2 PRO 6 12.831 14.129 -0.375 53 HG3 PRO 6 HG3 PRO 6 13.263 14.069 1.344 54 HD2 PRO 6 HD2 PRO 6 12.034 12.014 0.079 55 HD3 PRO 6 HD3 PRO 6 11.758 12.382 1.794 56 H GLN 7 H GLN 7 9.484 16.935 -0.349 57 HA GLN 7 HA GLN 7 9.366 16.181 -3.195 58 HB2 GLN 7 HB2 GLN 7 7.737 18.099 -3.405 59 HB3 GLN 7 HB3 GLN 7 7.155 16.708 -2.501 60 HG2 GLN 7 HG2 GLN 7 8.447 18.725 -0.837 61 HG3 GLN 7 HG3 GLN 7 7.019 19.310 -1.687 62 HE21 GLN 7 HE21 GLN 7 5.071 18.802 -0.919 63 HE22 GLN 7 HE22 GLN 7 4.769 17.699 0.375 64 H VAL 8 H VAL 8 11.520 17.387 -1.356 65 HA VAL 8 HA VAL 8 12.462 19.312 -3.310 66 HB VAL 8 HB VAL 8 13.010 21.005 -1.552 67 HG11 VAL 8 HG11 VAL 8 10.073 20.450 -1.960 68 HG12 VAL 8 HG12 VAL 8 10.783 22.000 -1.505 69 HG13 VAL 8 HG13 VAL 8 11.127 21.301 -3.089 70 HG21 VAL 8 HG21 VAL 8 11.378 19.119 0.097 71 HG22 VAL 8 HG22 VAL 8 12.894 19.929 0.494 72 HG23 VAL 8 HG23 VAL 8 11.386 20.843 0.471 73 H SER 9 H SER 9 14.699 19.646 -3.245 74 HA SER 9 HA SER 9 16.157 17.550 -1.848 75 HB2 SER 9 HB2 SER 9 17.008 19.527 -3.975 76 HB3 SER 9 HB3 SER 9 18.074 18.314 -3.268 77 HG SER 9 HG SER 9 16.992 17.724 -5.291 78 H GLY 10 H GLY 10 17.367 17.864 -0.091 79 HA2 GLY 10 HA2 GLY 10 18.799 20.241 0.470 80 HA3 GLY 10 HA3 GLY 10 17.306 20.219 1.396 81 H VAL 11 H VAL 11 17.622 19.557 3.404 82 HA VAL 11 HA VAL 11 19.131 17.121 3.899 83 HB VAL 11 HB VAL 11 19.861 19.721 5.257 84 HG11 VAL 11 HG11 VAL 11 20.836 16.904 5.703 85 HG12 VAL 11 HG12 VAL 11 21.607 18.344 6.370 86 HG13 VAL 11 HG13 VAL 11 19.961 17.922 6.845 87 HG21 VAL 11 HG21 VAL 11 22.073 19.348 4.229 88 HG22 VAL 11 HG22 VAL 11 21.414 17.965 3.357 89 HG23 VAL 11 HG23 VAL 11 20.802 19.585 3.029 90 H ILE 12 H ILE 12 18.400 15.994 5.639 91 HA ILE 12 HA ILE 12 15.860 16.537 6.671 92 HB ILE 12 HB ILE 12 18.014 14.737 7.786 93 HG12 ILE 12 HG12 ILE 12 17.240 14.221 5.478 94 HG13 ILE 12 HG13 ILE 12 16.844 12.954 6.634 95 HG21 ILE 12 HG21 ILE 12 16.415 15.262 9.519 96 HG22 ILE 12 HG22 ILE 12 15.075 14.883 8.439 97 HG23 ILE 12 HG23 ILE 12 16.168 13.605 8.970 98 HD11 ILE 12 HD11 ILE 12 14.720 14.905 6.385 99 HD12 ILE 12 HD12 ILE 12 15.121 14.141 4.846 100 HD13 ILE 12 HD13 ILE 12 14.673 13.149 6.232 101 H VAL 13 H VAL 13 15.235 18.013 8.089 102 HA VAL 13 HA VAL 13 17.156 19.380 9.759 103 HB VAL 13 HB VAL 13 14.172 19.768 9.837 104 HG11 VAL 13 HG11 VAL 13 16.221 21.916 10.124 105 HG12 VAL 13 HG12 VAL 13 14.605 21.799 10.823 106 HG13 VAL 13 HG13 VAL 13 15.922 20.824 11.474 107 HG21 VAL 13 HG21 VAL 13 14.275 20.269 7.655 108 HG22 VAL 13 HG22 VAL 13 15.103 21.736 8.178 109 HG23 VAL 13 HG23 VAL 13 16.037 20.335 7.657 110 H ASN 14 H ASN 14 14.424 17.182 10.197 111 HA ASN 14 HA ASN 14 15.471 16.378 12.771 112 HB2 ASN 14 HB2 ASN 14 13.766 18.428 12.931 113 HB3 ASN 14 HB3 ASN 14 12.589 17.121 12.843 114 HD21 ASN 14 HD21 ASN 14 12.791 15.390 14.419 115 HD22 ASN 14 HD22 ASN 14 13.392 15.761 15.996 116 H LYS 15 H LYS 15 14.288 14.510 13.664 117 HA LYS 15 HA LYS 15 12.839 13.008 11.585 118 HB2 LYS 15 HB2 LYS 15 13.956 10.956 12.385 119 HB3 LYS 15 HB3 LYS 15 15.096 12.124 11.729 120 HG2 LYS 15 HG2 LYS 15 15.507 12.863 14.110 121 HG3 LYS 15 HG3 LYS 15 14.600 11.433 14.609 122 HD2 LYS 15 HD2 LYS 15 17.137 11.501 12.978 123 HD3 LYS 15 HD3 LYS 15 16.952 10.916 14.633 124 HE2 LYS 15 HE2 LYS 15 15.116 9.390 13.400 125 HE3 LYS 15 HE3 LYS 15 16.245 9.631 12.067 126 HZ1 LYS 15 HZ1 LYS 15 17.474 8.033 12.950 127 HZ2 LYS 15 HZ2 LYS 15 16.493 7.942 14.324 128 HZ3 LYS 15 HZ3 LYS 15 17.786 9.031 14.279 129 H LEU 16 H LEU 16 10.801 12.941 12.298 130 HA LEU 16 HA LEU 16 10.349 12.148 15.100 131 HB2 LEU 16 HB2 LEU 16 7.997 13.311 14.233 132 HB3 LEU 16 HB3 LEU 16 9.191 14.029 15.311 133 HG LEU 16 HG LEU 16 9.506 14.351 12.358 134 HD11 LEU 16 HD11 LEU 16 8.213 16.621 13.012 135 HD12 LEU 16 HD12 LEU 16 7.341 15.462 14.015 136 HD13 LEU 16 HD13 LEU 16 7.433 15.224 12.270 137 HD21 LEU 16 HD21 LEU 16 10.112 16.702 13.616 138 HD22 LEU 16 HD22 LEU 16 11.271 15.438 13.203 139 HD23 LEU 16 HD23 LEU 16 10.576 15.503 14.823 140 H PHE 17 H PHE 17 10.685 10.027 13.743 141 HA PHE 17 HA PHE 17 8.015 9.110 12.902 142 HB2 PHE 17 HB2 PHE 17 10.470 9.058 11.453 143 HB3 PHE 17 HB3 PHE 17 10.028 7.397 11.834 144 HD1 PHE 17 HD2 PHE 17 7.498 6.808 11.376 145 HD2 PHE 17 HD1 PHE 17 9.623 10.009 9.546 146 HE1 PHE 17 HE2 PHE 17 5.884 6.813 9.520 147 HE2 PHE 17 HE1 PHE 17 8.012 10.020 7.687 148 HZ PHE 17 HZ PHE 17 6.140 8.420 7.671 149 H LYS 18 H LYS 18 7.447 6.949 13.430 150 HA LYS 18 HA LYS 18 9.122 5.679 15.486 151 HB2 LYS 18 HB2 LYS 18 6.153 5.554 15.751 152 HB3 LYS 18 HB3 LYS 18 7.392 5.456 16.995 153 HG2 LYS 18 HG2 LYS 18 7.777 7.981 16.219 154 HG3 LYS 18 HG3 LYS 18 6.068 7.817 15.812 155 HD2 LYS 18 HD2 LYS 18 5.503 7.257 18.053 156 HD3 LYS 18 HD3 LYS 18 7.200 7.064 18.500 157 HE2 LYS 18 HE2 LYS 18 6.934 9.156 19.304 158 HE3 LYS 18 HE3 LYS 18 7.240 9.606 17.628 159 HZ1 LYS 18 HZ1 LYS 18 4.499 9.031 17.982 160 HZ2 LYS 18 HZ2 LYS 18 5.225 10.478 17.491 161 HZ3 LYS 18 HZ3 LYS 18 4.987 10.168 19.138 162 H ALA 19 H ALA 19 9.575 3.641 15.000 163 HA ALA 19 HA ALA 19 8.452 2.329 12.752 164 HB1 ALA 19 HB1 ALA 19 9.801 0.400 13.467 165 HB2 ALA 19 HB2 ALA 19 10.733 1.898 13.444 166 HB3 ALA 19 HB3 ALA 19 10.167 1.235 14.978 167 H GLY 20 H GLY 20 6.702 1.081 12.579 168 HA2 GLY 20 HA2 GLY 20 5.077 -0.466 13.195 169 HA3 GLY 20 HA3 GLY 20 5.727 -0.459 14.828 170 H ASP 21 H ASP 21 5.078 2.613 13.464 171 HA ASP 21 HA ASP 21 2.649 2.812 15.118 172 HB2 ASP 21 HB2 ASP 21 4.908 4.685 14.604 173 HB3 ASP 21 HB3 ASP 21 3.306 5.381 14.829 174 H LYS 22 H LYS 22 0.900 4.089 14.341 175 HA LYS 22 HA LYS 22 0.623 3.948 11.449 176 HB2 LYS 22 HB2 LYS 22 -1.400 4.676 13.577 177 HB3 LYS 22 HB3 LYS 22 -1.752 4.434 11.870 178 HG2 LYS 22 HG2 LYS 22 -1.695 2.189 12.037 179 HG3 LYS 22 HG3 LYS 22 -0.394 2.201 13.231 180 HD2 LYS 22 HD2 LYS 22 -2.295 1.391 14.369 181 HD3 LYS 22 HD3 LYS 22 -2.116 3.071 14.882 182 HE2 LYS 22 HE2 LYS 22 -4.381 2.931 14.437 183 HE3 LYS 22 HE3 LYS 22 -3.742 3.575 12.925 184 HZ1 LYS 22 HZ1 LYS 22 -3.599 0.916 12.527 185 HZ2 LYS 22 HZ2 LYS 22 -4.871 1.899 12.003 186 HZ3 LYS 22 HZ3 LYS 22 -5.009 1.041 13.454 187 H VAL 23 H VAL 23 0.326 5.672 10.102 188 HA VAL 23 HA VAL 23 0.955 8.303 11.237 189 HB VAL 23 HB VAL 23 1.476 8.985 8.937 190 HG11 VAL 23 HG11 VAL 23 3.464 7.548 8.614 191 HG12 VAL 23 HG12 VAL 23 3.268 8.088 10.283 192 HG13 VAL 23 HG13 VAL 23 2.828 6.441 9.830 193 HG21 VAL 23 HG21 VAL 23 0.762 7.864 7.157 194 HG22 VAL 23 HG22 VAL 23 1.556 6.389 7.709 195 HG23 VAL 23 HG23 VAL 23 -0.083 6.761 8.244 196 H LYS 24 H LYS 24 -0.174 10.191 10.445 197 HA LYS 24 HA LYS 24 -2.977 9.597 9.765 198 HB2 LYS 24 HB2 LYS 24 -3.087 10.624 11.843 199 HB3 LYS 24 HB3 LYS 24 -1.713 11.671 11.513 200 HG2 LYS 24 HG2 LYS 24 -3.610 13.062 11.540 201 HG3 LYS 24 HG3 LYS 24 -3.175 12.864 9.841 202 HD2 LYS 24 HD2 LYS 24 -4.882 10.819 10.086 203 HD3 LYS 24 HD3 LYS 24 -5.541 11.886 11.328 204 HE2 LYS 24 HE2 LYS 24 -4.896 12.989 8.631 205 HE3 LYS 24 HE3 LYS 24 -6.371 12.049 8.850 206 HZ1 LYS 24 HZ1 LYS 24 -7.293 13.923 9.559 207 HZ2 LYS 24 HZ2 LYS 24 -5.808 14.728 9.637 208 HZ3 LYS 24 HZ3 LYS 24 -6.340 13.805 10.951 209 H LYS 25 H LYS 25 -4.055 10.929 8.268 210 HA LYS 25 HA LYS 25 -2.558 11.698 6.027 211 HB2 LYS 25 HB2 LYS 25 -5.288 12.812 6.598 212 HB3 LYS 25 HB3 LYS 25 -4.588 12.350 5.052 213 HG2 LYS 25 HG2 LYS 25 -4.625 10.023 6.620 214 HG3 LYS 25 HG3 LYS 25 -6.190 10.807 6.850 215 HD2 LYS 25 HD2 LYS 25 -4.916 10.096 4.208 216 HD3 LYS 25 HD3 LYS 25 -6.280 9.272 4.967 217 HE2 LYS 25 HE2 LYS 25 -7.097 11.895 4.918 218 HE3 LYS 25 HE3 LYS 25 -6.204 11.738 3.406 219 HZ1 LYS 25 HZ1 LYS 25 -7.574 9.716 2.964 220 HZ2 LYS 25 HZ2 LYS 25 -8.445 11.166 2.971 221 HZ3 LYS 25 HZ3 LYS 25 -8.525 10.124 4.302 222 H GLY 26 H GLY 26 -0.940 13.149 6.623 223 HA2 GLY 26 HA2 GLY 26 -0.410 15.479 6.294 224 HA3 GLY 26 HA3 GLY 26 -1.916 15.888 7.103 225 H GLN 27 H GLN 27 -0.133 13.352 8.538 226 HA GLN 27 HA GLN 27 0.422 15.022 10.841 227 HB2 GLN 27 HB2 GLN 27 -0.313 12.381 10.535 228 HB3 GLN 27 HB3 GLN 27 1.394 12.267 10.941 229 HG2 GLN 27 HG2 GLN 27 0.599 14.038 12.796 230 HG3 GLN 27 HG3 GLN 27 -0.892 13.123 12.583 231 HE21 GLN 27 HE21 GLN 27 -0.292 10.630 12.335 232 HE22 GLN 27 HE22 GLN 27 0.670 10.027 13.636 233 H THR 28 H THR 28 2.374 15.723 11.492 234 HA THR 28 HA THR 28 4.556 15.656 9.659 235 HB THR 28 HB THR 28 5.164 16.472 12.424 236 HG1 THR 28 HG1 THR 28 3.192 17.857 10.895 237 HG21 THR 28 HG21 THR 28 6.753 17.232 10.961 238 HG22 THR 28 HG22 THR 28 5.664 18.619 10.953 239 HG23 THR 28 HG23 THR 28 5.598 17.440 9.645 240 H LEU 29 H LEU 29 6.237 14.306 9.549 241 HA LEU 29 HA LEU 29 6.879 12.624 11.864 242 HB2 LEU 29 HB2 LEU 29 6.710 11.548 9.057 243 HB3 LEU 29 HB3 LEU 29 7.019 10.641 10.536 244 HG LEU 29 HG LEU 29 4.433 12.087 10.325 245 HD11 LEU 29 HD11 LEU 29 5.086 10.735 8.135 246 HD12 LEU 29 HD12 LEU 29 3.451 10.723 8.798 247 HD13 LEU 29 HD13 LEU 29 4.545 9.379 9.127 248 HD21 LEU 29 HD21 LEU 29 3.695 10.491 11.803 249 HD22 LEU 29 HD22 LEU 29 5.398 10.602 12.252 250 HD23 LEU 29 HD23 LEU 29 4.840 9.276 11.232 251 H PHE 30 H PHE 30 7.835 14.181 8.900 252 HA PHE 30 HA PHE 30 10.640 13.914 9.722 253 HB2 PHE 30 HB2 PHE 30 9.412 13.071 7.163 254 HB3 PHE 30 HB3 PHE 30 10.934 13.946 7.036 255 HD1 PHE 30 HD1 PHE 30 12.437 13.025 9.332 256 HD2 PHE 30 HD2 PHE 30 9.862 10.855 6.728 257 HE1 PHE 30 HE1 PHE 30 13.668 10.957 9.843 258 HE2 PHE 30 HE2 PHE 30 11.089 8.783 7.236 259 HZ PHE 30 HZ PHE 30 12.995 8.832 8.795 260 H ILE 31 H ILE 31 12.053 15.514 8.533 261 HA ILE 31 HA ILE 31 10.681 17.905 7.605 262 HB ILE 31 HB ILE 31 12.613 18.102 9.913 263 HG12 ILE 31 HG12 ILE 31 9.590 18.197 9.910 264 HG13 ILE 31 HG13 ILE 31 10.608 17.012 10.723 265 HG21 ILE 31 HG21 ILE 31 11.998 20.403 9.997 266 HG22 ILE 31 HG22 ILE 31 12.412 20.026 8.326 267 HG23 ILE 31 HG23 ILE 31 10.721 20.165 8.804 268 HD11 ILE 31 HD11 ILE 31 9.774 18.559 12.339 269 HD12 ILE 31 HD12 ILE 31 11.503 18.844 12.135 270 HD13 ILE 31 HD13 ILE 31 10.336 19.932 11.386 271 H ILE 32 H ILE 32 11.896 19.136 6.235 272 HA ILE 32 HA ILE 32 14.756 18.581 5.988 273 HB ILE 32 HB ILE 32 12.731 18.165 3.809 274 HG12 ILE 32 HG12 ILE 32 15.178 16.528 4.440 275 HG13 ILE 32 HG13 ILE 32 13.676 16.310 5.334 276 HG21 ILE 32 HG21 ILE 32 14.255 19.659 2.787 277 HG22 ILE 32 HG22 ILE 32 15.644 18.852 3.512 278 HG23 ILE 32 HG23 ILE 32 14.713 18.043 2.251 279 HD11 ILE 32 HD11 ILE 32 13.422 16.271 2.407 280 HD12 ILE 32 HD12 ILE 32 14.329 14.937 3.120 281 HD13 ILE 32 HD13 ILE 32 12.671 15.248 3.632 282 H GLU 33 H GLU 33 15.953 20.308 5.342 283 HA GLU 33 HA GLU 33 14.489 22.822 4.947 284 HB2 GLU 33 HB2 GLU 33 15.942 23.008 6.801 285 HB3 GLU 33 HB3 GLU 33 17.256 22.203 5.955 286 HG2 GLU 33 HG2 GLU 33 16.424 24.593 4.570 287 HG3 GLU 33 HG3 GLU 33 16.869 24.934 6.241 288 H GLN 34 H GLN 34 14.618 23.935 3.094 289 HA GLN 34 HA GLN 34 15.917 22.733 0.835 290 HB2 GLN 34 HB2 GLN 34 14.264 25.220 1.209 291 HB3 GLN 34 HB3 GLN 34 15.037 24.848 -0.326 292 HG2 GLN 34 HG2 GLN 34 12.890 24.020 -0.580 293 HG3 GLN 34 HG3 GLN 34 13.835 22.593 -0.161 294 HE21 GLN 34 HE21 GLN 34 13.458 21.550 1.746 295 HE22 GLN 34 HE22 GLN 34 12.147 21.939 2.801 296 H ASP 35 H ASP 35 17.408 23.858 -0.580 297 HA ASP 35 HA ASP 35 18.781 26.201 0.145 298 HB2 ASP 35 HB2 ASP 35 20.762 25.459 1.140 299 HB3 ASP 35 HB3 ASP 35 19.527 24.498 1.948 300 H GLN 36 H GLN 36 17.684 24.706 -2.144 301 HA GLN 36 HA GLN 36 19.851 25.222 -3.979 302 HB2 GLN 36 HB2 GLN 36 19.621 22.960 -5.064 303 HB3 GLN 36 HB3 GLN 36 20.424 22.963 -3.499 304 HG2 GLN 36 HG2 GLN 36 18.985 21.114 -3.473 305 HG3 GLN 36 HG3 GLN 36 18.192 22.347 -2.495 306 HE21 GLN 36 HE21 GLN 36 16.092 22.302 -2.792 307 HE22 GLN 36 HE22 GLN 36 15.275 22.063 -4.295 308 H ALA 37 H ALA 37 17.210 26.292 -3.450 309 HA ALA 37 HA ALA 37 15.624 25.442 -5.749 310 HB1 ALA 37 HB1 ALA 37 14.877 26.187 -3.251 311 HB2 ALA 37 HB2 ALA 37 14.652 27.696 -4.137 312 HB3 ALA 37 HB3 ALA 37 13.822 26.231 -4.663 313 H SER 38 H SER 38 18.173 26.841 -6.109 314 HA SER 38 HA SER 38 19.013 28.365 -7.585 315 HB2 SER 38 HB2 SER 38 16.366 28.003 -8.462 316 HB3 SER 38 HB3 SER 38 16.613 29.748 -8.408 317 HG SER 38 HG SER 38 17.588 29.445 -10.243 318 H LYS 39 H LYS 39 19.757 30.452 -7.431 319 HA LYS 39 HA LYS 39 19.270 31.829 -5.009 320 HB2 LYS 39 HB2 LYS 39 20.889 32.327 -7.459 321 HB3 LYS 39 HB3 LYS 39 20.565 33.695 -6.403 322 HG2 LYS 39 HG2 LYS 39 22.715 32.529 -5.956 323 HG3 LYS 39 HG3 LYS 39 21.636 32.629 -4.563 324 HD2 LYS 39 HD2 LYS 39 20.971 30.346 -4.832 325 HD3 LYS 39 HD3 LYS 39 21.819 30.226 -6.376 326 HE2 LYS 39 HE2 LYS 39 23.498 31.071 -4.125 327 HE3 LYS 39 HE3 LYS 39 22.829 29.447 -3.965 328 HZ1 LYS 39 HZ1 LYS 39 23.689 29.054 -6.283 329 HZ2 LYS 39 HZ2 LYS 39 24.866 29.208 -5.078 330 HZ3 LYS 39 HZ3 LYS 39 24.556 30.498 -6.127 331 H ASP 40 H ASP 40 18.234 32.394 -8.342 332 HA ASP 40 HA ASP 40 17.082 34.885 -8.117 333 HB2 ASP 40 HB2 ASP 40 16.297 32.476 -9.747 334 HB3 ASP 40 HB3 ASP 40 15.427 34.002 -9.875 335 H PHE 41 H PHE 41 15.984 31.858 -6.823 336 HA PHE 41 HA PHE 41 13.308 32.774 -6.276 337 HB2 PHE 41 HB2 PHE 41 14.863 30.300 -5.548 338 HB3 PHE 41 HB3 PHE 41 13.269 30.618 -4.869 339 HD1 PHE 41 HD2 PHE 41 14.891 30.734 -8.233 340 HD2 PHE 41 HD1 PHE 41 11.537 29.543 -5.899 341 HE1 PHE 41 HE2 PHE 41 13.850 29.755 -10.236 342 HE2 PHE 41 HE1 PHE 41 10.491 28.560 -7.898 343 HZ PHE 41 HZ PHE 41 11.647 28.666 -10.070 344 H ASN 42 H ASN 42 15.951 31.701 -4.131 345 HA ASN 42 HA ASN 42 16.616 32.402 -2.071 346 HB2 ASN 42 HB2 ASN 42 16.680 34.635 -3.198 347 HB3 ASN 42 HB3 ASN 42 15.030 34.912 -2.646 348 HD21 ASN 42 HD21 ASN 42 17.384 33.190 -0.748 349 H ARG 43 H ARG 43 15.904 32.342 0.064 350 HA ARG 43 HA ARG 43 13.036 32.441 0.579 351 HB2 ARG 43 HB2 ARG 43 14.083 30.025 0.008 352 HB3 ARG 43 HB3 ARG 43 14.413 30.086 1.734 353 HG2 ARG 43 HG2 ARG 43 12.358 29.099 1.741 354 HG3 ARG 43 HG3 ARG 43 11.888 30.796 1.864 355 HD2 ARG 43 HD2 ARG 43 11.714 30.791 -0.660 356 HD3 ARG 43 HD3 ARG 43 11.874 29.037 -0.577 357 HE ARG 43 HE ARG 43 9.793 30.044 1.112 358 HH11 ARG 43 HH11 ARG 43 10.595 29.105 -2.143 359 HH12 ARG 43 HH12 ARG 43 8.960 28.732 -2.577 360 HH21 ARG 43 HH21 ARG 43 7.637 29.557 0.552 361 HH22 ARG 43 HH22 ARG 43 7.278 28.990 -1.044 362 H SER 44 H SER 44 16.159 31.581 2.073 363 HA SER 44 HA SER 44 17.021 32.035 4.139 364 HB2 SER 44 HB2 SER 44 17.076 34.274 2.915 365 HB3 SER 44 HB3 SER 44 15.649 34.709 3.856 366 HG SER 44 HG SER 44 17.585 35.397 4.864 367 H LYS 45 H LYS 45 15.954 33.887 6.101 368 HA LYS 45 HA LYS 45 14.588 32.257 7.790 369 HB2 LYS 45 HB2 LYS 45 14.384 35.252 7.487 370 HB3 LYS 45 HB3 LYS 45 13.646 34.375 8.821 371 HG2 LYS 45 HG2 LYS 45 15.596 34.906 9.825 372 HG3 LYS 45 HG3 LYS 45 16.129 33.424 9.027 373 HD2 LYS 45 HD2 LYS 45 16.440 35.458 7.128 374 HD3 LYS 45 HD3 LYS 45 17.032 36.132 8.648 375 HE2 LYS 45 HE2 LYS 45 17.904 33.387 8.167 376 HE3 LYS 45 HE3 LYS 45 18.460 34.526 6.941 377 HZ1 LYS 45 HZ1 LYS 45 20.012 34.301 8.809 378 HZ2 LYS 45 HZ2 LYS 45 18.825 34.880 9.866 379 HZ3 LYS 45 HZ3 LYS 45 19.436 35.884 8.649 380 H ALA 46 H ALA 46 12.913 34.836 5.982 381 HA ALA 46 HA ALA 46 10.918 33.238 4.869 382 HB1 ALA 46 HB1 ALA 46 10.558 33.637 7.662 383 HB2 ALA 46 HB2 ALA 46 9.292 34.515 6.802 384 HB3 ALA 46 HB3 ALA 46 9.512 32.788 6.523 385 H LEU 47 H LEU 47 8.840 34.660 4.434 386 HA LEU 47 HA LEU 47 9.704 37.428 3.923 387 HB2 LEU 47 HB2 LEU 47 7.915 35.991 2.012 388 HB3 LEU 47 HB3 LEU 47 8.953 37.389 1.736 389 HG LEU 47 HG LEU 47 9.911 35.603 0.530 390 HD11 LEU 47 HD11 LEU 47 11.979 36.039 1.210 391 HD12 LEU 47 HD12 LEU 47 11.736 35.169 2.724 392 HD13 LEU 47 HD13 LEU 47 11.271 36.865 2.599 393 HD21 LEU 47 HD21 LEU 47 10.382 33.735 2.714 394 HD22 LEU 47 HD22 LEU 47 9.772 33.444 1.084 395 HD23 LEU 47 HD23 LEU 47 8.670 33.968 2.359 396 H PHE 48 H PHE 48 7.400 38.378 2.762 397 HA PHE 48 HA PHE 48 5.402 38.019 4.898 398 HB2 PHE 48 HB2 PHE 48 4.768 40.435 4.352 399 HB3 PHE 48 HB3 PHE 48 6.283 40.188 5.213 400 HD1 PHE 48 HD2 PHE 48 8.437 40.290 3.935 401 HD2 PHE 48 HD1 PHE 48 4.714 41.494 2.260 402 HE1 PHE 48 HE2 PHE 48 9.633 41.555 2.196 403 HE2 PHE 48 HE1 PHE 48 5.903 42.760 0.517 404 HZ PHE 48 HZ PHE 48 8.366 42.792 0.484 405 H SER 49 H SER 49 5.799 39.079 1.523 406 HA SER 49 HA SER 49 4.336 39.083 -0.239 407 HB2 SER 49 HB2 SER 49 5.005 36.758 -0.275 408 HB3 SER 49 HB3 SER 49 3.818 36.355 0.964 409 HG SER 49 HG SER 49 3.370 37.123 -1.719 410 H GLN 50 H GLN 50 3.142 40.776 1.099 411 HA GLN 50 HA GLN 50 1.228 41.638 2.029 412 HB2 GLN 50 HB2 GLN 50 -0.754 41.248 0.651 413 HB3 GLN 50 HB3 GLN 50 0.671 41.489 -0.351 414 HG2 GLN 50 HG2 GLN 50 0.803 39.200 -0.892 415 HG3 GLN 50 HG3 GLN 50 -0.348 38.760 0.368 416 HE21 GLN 50 HE21 GLN 50 0.070 39.597 -2.876 417 HE22 GLN 50 HE22 GLN 50 -1.596 39.717 -3.318 418 H SER 51 H SER 51 2.122 39.595 3.625 419 HA SER 51 HA SER 51 1.444 38.288 5.361 420 HB2 SER 51 HB2 SER 51 -1.432 38.863 4.705 421 HB3 SER 51 HB3 SER 51 -0.681 38.621 6.283 422 HG SER 51 HG SER 51 0.460 40.644 5.836 423 H ALA 52 H ALA 52 2.158 36.404 4.323 424 HA ALA 52 HA ALA 52 0.109 34.838 2.914 425 HB1 ALA 52 HB1 ALA 52 2.905 35.230 2.484 426 HB2 ALA 52 HB2 ALA 52 2.596 33.519 2.785 427 HB3 ALA 52 HB3 ALA 52 1.739 34.356 1.489 428 H ILE 53 H ILE 53 2.401 34.729 5.593 429 HA ILE 53 HA ILE 53 1.018 32.319 6.578 430 HB ILE 53 HB ILE 53 3.269 31.999 7.872 431 HG12 ILE 53 HG12 ILE 53 4.458 33.195 5.405 432 HG13 ILE 53 HG13 ILE 53 4.027 34.263 6.736 433 HG21 ILE 53 HG21 ILE 53 3.395 31.360 4.952 434 HG22 ILE 53 HG22 ILE 53 3.877 30.375 6.333 435 HG23 ILE 53 HG23 ILE 53 2.167 30.622 5.980 436 HD11 ILE 53 HD11 ILE 53 5.846 31.879 6.975 437 HD12 ILE 53 HD12 ILE 53 6.382 33.548 6.776 438 HD13 ILE 53 HD13 ILE 53 5.492 33.074 8.223 439 H SER 54 H SER 54 -0.386 33.188 8.015 440 HA SER 54 HA SER 54 -0.096 35.434 9.577 441 HB2 SER 54 HB2 SER 54 -1.873 33.171 9.486 442 HB3 SER 54 HB3 SER 54 -1.522 33.582 11.164 443 HG SER 54 HG SER 54 -3.275 34.741 9.741 444 H GLN 55 H GLN 55 1.725 35.831 10.696 445 HA GLN 55 HA GLN 55 3.339 33.946 11.978 446 HB2 GLN 55 HB2 GLN 55 4.503 35.768 12.928 447 HB3 GLN 55 HB3 GLN 55 3.910 36.351 11.379 448 HG2 GLN 55 HG2 GLN 55 1.944 37.312 12.671 449 HG3 GLN 55 HG3 GLN 55 2.887 36.988 14.125 450 HE21 GLN 55 HE21 GLN 55 4.389 38.410 14.732 451 HE22 GLN 55 HE22 GLN 55 4.883 39.787 13.813 452 H LYS 56 H LYS 56 0.322 35.249 12.892 453 HA LYS 56 HA LYS 56 0.674 34.705 15.725 454 HB2 LYS 56 HB2 LYS 56 -1.732 35.419 15.861 455 HB3 LYS 56 HB3 LYS 56 -0.638 36.637 15.218 456 HG2 LYS 56 HG2 LYS 56 -1.387 36.237 12.989 457 HG3 LYS 56 HG3 LYS 56 -2.324 34.831 13.501 458 HD2 LYS 56 HD2 LYS 56 -2.927 37.406 14.836 459 HD3 LYS 56 HD3 LYS 56 -3.410 37.250 13.145 460 HE2 LYS 56 HE2 LYS 56 -5.034 35.766 13.618 461 HE3 LYS 56 HE3 LYS 56 -4.060 34.935 14.829 462 HZ1 LYS 56 HZ1 LYS 56 -5.892 37.187 15.145 463 HZ2 LYS 56 HZ2 LYS 56 -4.519 37.165 16.131 464 HZ3 LYS 56 HZ3 LYS 56 -5.609 35.872 16.171 465 H GLU 57 H GLU 57 1.004 32.464 14.017 466 HA GLU 57 HA GLU 57 -0.432 30.511 15.336 467 HB2 GLU 57 HB2 GLU 57 -1.964 31.779 13.232 468 HB3 GLU 57 HB3 GLU 57 -1.737 30.067 12.900 469 HG2 GLU 57 HG2 GLU 57 -2.507 30.655 15.657 470 HG3 GLU 57 HG3 GLU 57 -3.706 31.123 14.451 471 H TYR 58 H TYR 58 1.259 31.567 12.503 472 HA TYR 58 HA TYR 58 1.777 29.212 11.169 473 HB2 TYR 58 HB2 TYR 58 3.519 30.324 10.107 474 HB3 TYR 58 HB3 TYR 58 2.523 31.661 10.668 475 HD1 TYR 58 HD2 TYR 58 3.300 31.692 13.553 476 HD2 TYR 58 HD1 TYR 58 5.660 31.276 10.037 477 HE1 TYR 58 HE2 TYR 58 5.234 32.635 14.745 478 HE2 TYR 58 HE1 TYR 58 7.600 32.217 11.220 479 HH TYR 58 HH TYR 58 7.542 33.965 13.749 480 H ASP 59 H ASP 59 3.888 28.012 11.107 481 HA ASP 59 HA ASP 59 4.439 26.984 13.744 482 HB2 ASP 59 HB2 ASP 59 4.791 26.093 10.998 483 HB3 ASP 59 HB3 ASP 59 6.220 25.774 11.977 484 H SER 60 H SER 60 6.638 26.681 14.553 485 HA SER 60 HA SER 60 8.220 29.099 14.121 486 HB2 SER 60 HB2 SER 60 9.433 28.339 16.186 487 HB3 SER 60 HB3 SER 60 7.712 28.629 16.428 488 HG SER 60 HG SER 60 7.518 26.627 16.997 489 H SER 61 H SER 61 8.310 25.682 13.571 490 HA SER 61 HA SER 61 11.088 25.322 13.294 491 HB2 SER 61 HB2 SER 61 8.654 23.819 12.603 492 HB3 SER 61 HB3 SER 61 10.031 23.494 11.550 493 HG SER 61 HG SER 61 11.245 22.981 13.399 494 H LEU 62 H LEU 62 8.850 27.000 11.367 495 HA LEU 62 HA LEU 62 10.600 26.875 9.011 496 HB2 LEU 62 HB2 LEU 62 8.791 27.562 7.702 497 HB3 LEU 62 HB3 LEU 62 8.112 26.406 8.845 498 HG LEU 62 HG LEU 62 7.823 28.971 9.995 499 HD11 LEU 62 HD11 LEU 62 6.938 30.354 8.415 500 HD12 LEU 62 HD12 LEU 62 6.447 29.027 7.363 501 HD13 LEU 62 HD13 LEU 62 8.139 29.519 7.429 502 HD21 LEU 62 HD21 LEU 62 6.399 26.701 9.832 503 HD22 LEU 62 HD22 LEU 62 5.516 27.691 8.671 504 HD23 LEU 62 HD23 LEU 62 5.711 28.246 10.335 505 H ALA 63 H ALA 63 9.553 28.919 11.571 506 HA ALA 63 HA ALA 63 10.115 31.429 10.356 507 HB1 ALA 63 HB1 ALA 63 10.321 31.069 13.304 508 HB2 ALA 63 HB2 ALA 63 9.579 32.371 12.373 509 HB3 ALA 63 HB3 ALA 63 8.760 30.817 12.524 510 H THR 64 H THR 64 11.964 32.576 10.226 511 HA THR 64 HA THR 64 14.165 33.154 10.419 512 HB THR 64 HB THR 64 14.830 31.125 12.471 513 HG1 THR 64 HG1 THR 64 13.230 31.646 13.739 514 HG21 THR 64 HG21 THR 64 16.321 32.685 13.154 515 HG22 THR 64 HG22 THR 64 15.189 34.018 12.929 516 HG23 THR 64 HG23 THR 64 16.050 33.348 11.543 517 H LEU 65 H LEU 65 12.999 30.360 9.324 518 HA LEU 65 HA LEU 65 15.218 29.736 7.734 519 HB2 LEU 65 HB2 LEU 65 15.380 27.327 8.867 520 HB3 LEU 65 HB3 LEU 65 16.440 28.668 9.299 521 HG LEU 65 HG LEU 65 15.017 29.149 11.245 522 HD11 LEU 65 HD11 LEU 65 13.536 26.642 10.464 523 HD12 LEU 65 HD12 LEU 65 12.910 28.284 10.316 524 HD13 LEU 65 HD13 LEU 65 13.266 27.617 11.908 525 HD21 LEU 65 HD21 LEU 65 16.725 27.868 11.999 526 HD22 LEU 65 HD22 LEU 65 16.415 26.573 10.842 527 HD23 LEU 65 HD23 LEU 65 15.418 26.720 12.291 528 H ASP 66 H ASP 66 13.552 29.767 6.199 529 HA ASP 66 HA ASP 66 11.166 28.436 6.186 530 HB2 ASP 66 HB2 ASP 66 13.100 29.147 4.018 531 HB3 ASP 66 HB3 ASP 66 11.703 28.150 3.621 532 H HIS 67 H HIS 67 10.935 26.416 6.954 533 HA HIS 67 HA HIS 67 12.598 24.302 5.748 534 HB2 HIS 67 HB2 HIS 67 11.460 24.571 8.521 535 HB3 HIS 67 HB3 HIS 67 11.928 23.002 7.873 536 HD1 HIS 67 HD1 HIS 67 13.572 23.372 10.105 537 HD2 HIS 67 HD2 HIS 67 14.463 25.456 6.623 538 HE1 HIS 67 HE1 HIS 67 15.983 24.051 10.326 539 H THR 68 H THR 68 11.551 22.220 5.447 540 HA THR 68 HA THR 68 8.675 22.521 4.884 541 HB THR 68 HB THR 68 10.747 20.809 3.506 542 HG1 THR 68 HG1 THR 68 9.330 23.155 2.882 543 HG21 THR 68 HG21 THR 68 8.718 20.319 1.972 544 HG22 THR 68 HG22 THR 68 7.752 20.769 3.376 545 HG23 THR 68 HG23 THR 68 8.879 19.418 3.478 546 H GLU 69 H GLU 69 7.352 21.372 6.117 547 HA GLU 69 HA GLU 69 8.404 19.243 7.786 548 HB2 GLU 69 HB2 GLU 69 6.099 19.246 8.761 549 HB3 GLU 69 HB3 GLU 69 6.934 20.788 8.873 550 HG2 GLU 69 HG2 GLU 69 5.413 20.652 6.442 551 HG3 GLU 69 HG3 GLU 69 4.392 20.297 7.834 552 H ILE 70 H ILE 70 8.602 17.300 6.882 553 HA ILE 70 HA ILE 70 7.037 16.419 4.673 554 HB ILE 70 HB ILE 70 8.942 14.963 6.500 555 HG12 ILE 70 HG12 ILE 70 10.065 14.846 4.080 556 HG13 ILE 70 HG13 ILE 70 9.099 16.298 3.842 557 HG21 ILE 70 HG21 ILE 70 7.762 13.136 5.866 558 HG22 ILE 70 HG22 ILE 70 7.100 13.924 4.435 559 HG23 ILE 70 HG23 ILE 70 8.749 13.300 4.414 560 HD11 ILE 70 HD11 ILE 70 10.176 17.345 5.749 561 HD12 ILE 70 HD12 ILE 70 11.121 15.881 6.030 562 HD13 ILE 70 HD13 ILE 70 11.367 16.820 4.558 563 H LYS 71 H LYS 71 4.873 16.433 5.217 564 HA LYS 71 HA LYS 71 3.985 14.861 7.508 565 HB2 LYS 71 HB2 LYS 71 1.959 15.960 7.359 566 HB3 LYS 71 HB3 LYS 71 3.058 17.185 6.742 567 HG2 LYS 71 HG2 LYS 71 1.453 15.307 5.022 568 HG3 LYS 71 HG3 LYS 71 0.984 16.961 5.420 569 HD2 LYS 71 HD2 LYS 71 3.513 16.158 3.980 570 HD3 LYS 71 HD3 LYS 71 2.060 16.802 3.211 571 HE2 LYS 71 HE2 LYS 71 3.623 18.256 5.338 572 HE3 LYS 71 HE3 LYS 71 3.880 18.479 3.609 573 HZ1 LYS 71 HZ1 LYS 71 1.260 18.850 3.751 574 HZ2 LYS 71 HZ2 LYS 71 2.377 20.109 3.920 575 HZ3 LYS 71 HZ3 LYS 71 1.694 19.394 5.293 576 H ALA 72 H ALA 72 2.909 12.953 7.375 577 HA ALA 72 HA ALA 72 3.302 11.217 5.280 578 HB1 ALA 72 HB1 ALA 72 1.676 11.251 7.693 579 HB2 ALA 72 HB2 ALA 72 0.965 10.289 6.397 580 HB3 ALA 72 HB3 ALA 72 2.597 9.934 6.963 581 HA PRO 73 HA PRO 73 0.518 12.485 2.105 582 HB2 PRO 73 HB2 PRO 73 0.414 10.159 0.709 583 HB3 PRO 73 HB3 PRO 73 1.818 11.233 0.682 584 HG2 PRO 73 HG2 PRO 73 1.375 8.733 2.268 585 HG3 PRO 73 HG3 PRO 73 2.826 9.265 1.400 586 HD2 PRO 73 HD2 PRO 73 2.554 9.527 4.081 587 HD3 PRO 73 HD3 PRO 73 3.475 10.684 3.098 588 H PHE 74 H PHE 74 -0.083 9.368 3.703 589 HA PHE 74 HA PHE 74 -2.853 10.041 4.093 590 HB2 PHE 74 HB2 PHE 74 -3.342 7.630 2.979 591 HB3 PHE 74 HB3 PHE 74 -3.486 9.149 2.102 592 HD1 PHE 74 HD1 PHE 74 -0.808 6.708 3.003 593 HD2 PHE 74 HD2 PHE 74 -2.532 9.213 0.025 594 HE1 PHE 74 HE1 PHE 74 0.864 5.922 1.378 595 HE2 PHE 74 HE2 PHE 74 -0.863 8.431 -1.604 596 HZ PHE 74 HZ PHE 74 0.838 6.782 -0.929 597 H ASP 75 H ASP 75 -3.912 8.650 5.571 598 HA ASP 75 HA ASP 75 -2.391 7.690 7.662 599 HB2 ASP 75 HB2 ASP 75 -4.650 8.086 8.142 600 HB3 ASP 75 HB3 ASP 75 -5.206 7.112 6.783 601 H GLY 76 H GLY 76 -1.681 5.670 8.330 602 HA2 GLY 76 HA2 GLY 76 -2.182 3.200 7.241 603 HA3 GLY 76 HA3 GLY 76 -0.918 3.882 6.228 604 H THR 77 H THR 77 0.038 1.791 7.201 605 HA THR 77 HA THR 77 1.205 2.290 9.845 606 HB THR 77 HB THR 77 1.089 -0.221 8.167 607 HG1 THR 77 HG1 THR 77 -0.326 0.801 10.350 608 HG21 THR 77 HG21 THR 77 3.109 -0.528 9.247 609 HG22 THR 77 HG22 THR 77 1.984 -1.192 10.431 610 HG23 THR 77 HG23 THR 77 2.630 0.436 10.642 611 H ILE 78 H ILE 78 3.399 2.386 10.191 612 HA ILE 78 HA ILE 78 5.046 2.694 7.772 613 HB ILE 78 HB ILE 78 4.726 4.643 9.441 614 HG12 ILE 78 HG12 ILE 78 7.318 5.095 9.254 615 HG13 ILE 78 HG13 ILE 78 7.286 3.646 8.256 616 HG21 ILE 78 HG21 ILE 78 6.181 4.672 11.351 617 HG22 ILE 78 HG22 ILE 78 5.155 3.241 11.444 618 HG23 ILE 78 HG23 ILE 78 6.835 3.089 10.931 619 HD11 ILE 78 HD11 ILE 78 5.269 5.690 7.617 620 HD12 ILE 78 HD12 ILE 78 6.950 6.121 7.297 621 HD13 ILE 78 HD13 ILE 78 6.251 4.683 6.553 622 H GLY 79 H GLY 79 7.045 1.701 7.620 623 HA2 GLY 79 HA2 GLY 79 7.484 -0.467 9.570 624 HA3 GLY 79 HA3 GLY 79 7.994 -0.508 7.888 625 H ASP 80 H ASP 80 8.435 1.725 10.636 626 HA ASP 80 HA ASP 80 10.294 2.706 11.507 627 HB2 ASP 80 HB2 ASP 80 10.969 0.331 11.836 628 HB3 ASP 80 HB3 ASP 80 11.776 0.376 10.272 629 H ALA 81 H ALA 81 12.350 3.803 10.937 630 HA ALA 81 HA ALA 81 12.110 5.039 8.366 631 HB1 ALA 81 HB1 ALA 81 13.030 5.906 10.741 632 HB2 ALA 81 HB2 ALA 81 14.555 5.524 9.940 633 HB3 ALA 81 HB3 ALA 81 13.432 6.666 9.200 634 H LEU 82 H LEU 82 14.746 5.514 7.644 635 HA LEU 82 HA LEU 82 15.996 2.922 7.197 636 HB2 LEU 82 HB2 LEU 82 15.263 4.727 4.900 637 HB3 LEU 82 HB3 LEU 82 16.075 3.165 4.803 638 HG LEU 82 HG LEU 82 13.262 3.484 5.829 639 HD11 LEU 82 HD11 LEU 82 12.786 2.469 3.469 640 HD12 LEU 82 HD12 LEU 82 14.297 3.270 3.041 641 HD13 LEU 82 HD13 LEU 82 12.949 4.214 3.674 642 HD21 LEU 82 HD21 LEU 82 14.388 1.035 4.562 643 HD22 LEU 82 HD22 LEU 82 13.134 1.196 5.792 644 HD23 LEU 82 HD23 LEU 82 14.829 1.413 6.227 645 H VAL 83 H VAL 83 16.075 6.413 6.604 646 HA VAL 83 HA VAL 83 19.009 6.316 6.543 647 HB VAL 83 HB VAL 83 18.995 8.473 5.544 648 HG11 VAL 83 HG11 VAL 83 17.697 6.278 4.388 649 HG12 VAL 83 HG12 VAL 83 16.726 7.689 3.961 650 HG13 VAL 83 HG13 VAL 83 18.443 7.643 3.558 651 HG21 VAL 83 HG21 VAL 83 16.081 8.554 6.294 652 HG22 VAL 83 HG22 VAL 83 17.370 9.636 6.823 653 HG23 VAL 83 HG23 VAL 83 16.813 9.680 5.151 654 H ASN 84 H ASN 84 19.808 8.680 7.408 655 HA ASN 84 HA ASN 84 18.779 8.861 10.165 656 HB2 ASN 84 HB2 ASN 84 21.353 9.907 10.212 657 HB3 ASN 84 HB3 ASN 84 20.867 8.314 10.785 658 HD21 ASN 84 HD21 ASN 84 21.086 6.523 9.358 659 HD22 ASN 84 HD22 ASN 84 22.252 6.557 8.084 660 H ILE 85 H ILE 85 19.535 11.044 11.188 661 HA ILE 85 HA ILE 85 18.313 13.120 9.630 662 HB ILE 85 HB ILE 85 18.335 12.730 12.247 663 HG12 ILE 85 HG12 ILE 85 18.102 15.192 10.600 664 HG13 ILE 85 HG13 ILE 85 16.899 14.392 11.604 665 HG21 ILE 85 HG21 ILE 85 19.915 14.035 13.441 666 HG22 ILE 85 HG22 ILE 85 20.830 13.039 12.310 667 HG23 ILE 85 HG23 ILE 85 20.551 14.744 11.956 668 HD11 ILE 85 HD11 ILE 85 19.111 16.218 12.492 669 HD12 ILE 85 HD12 ILE 85 17.371 16.489 12.592 670 HD13 ILE 85 HD13 ILE 85 18.131 15.259 13.601 671 H GLY 86 H GLY 86 19.290 15.196 9.176 672 HA2 GLY 86 HA2 GLY 86 20.982 16.587 8.461 673 HA3 GLY 86 HA3 GLY 86 22.116 15.570 9.337 674 H ASP 87 H ASP 87 20.184 13.810 7.195 675 HA ASP 87 HA ASP 87 22.461 13.455 5.408 676 HB2 ASP 87 HB2 ASP 87 20.371 11.770 6.386 677 HB3 ASP 87 HB3 ASP 87 20.265 11.823 4.629 678 H TYR 88 H TYR 88 22.536 14.141 3.351 679 HA TYR 88 HA TYR 88 20.725 16.095 2.431 680 HB2 TYR 88 HB2 TYR 88 23.045 16.074 1.700 681 HB3 TYR 88 HB3 TYR 88 22.817 14.511 0.923 682 HD1 TYR 88 HD1 TYR 88 22.168 18.108 0.696 683 HD2 TYR 88 HD2 TYR 88 21.633 14.333 -1.190 684 HE1 TYR 88 HE1 TYR 88 21.532 19.247 -1.389 685 HE2 TYR 88 HE2 TYR 88 20.996 15.460 -3.281 686 HH TYR 88 HH TYR 88 20.873 17.422 -4.351 687 H VAL 89 H VAL 89 18.839 15.915 1.425 688 HA VAL 89 HA VAL 89 18.081 13.289 0.331 689 HB VAL 89 HB VAL 89 15.711 14.275 0.502 690 HG11 VAL 89 HG11 VAL 89 17.326 12.842 2.293 691 HG12 VAL 89 HG12 VAL 89 16.431 14.011 3.267 692 HG13 VAL 89 HG13 VAL 89 15.564 12.882 2.225 693 HG21 VAL 89 HG21 VAL 89 16.535 15.924 2.764 694 HG22 VAL 89 HG22 VAL 89 17.070 16.553 1.207 695 HG23 VAL 89 HG23 VAL 89 15.357 16.251 1.493 696 H SER 90 H SER 90 16.706 13.278 -1.579 697 HA SER 90 HA SER 90 16.997 15.654 -3.281 698 HB2 SER 90 HB2 SER 90 18.276 13.086 -3.652 699 HB3 SER 90 HB3 SER 90 17.205 13.449 -5.005 700 HG SER 90 HG SER 90 18.288 15.493 -5.158 701 H ALA 91 H ALA 91 14.819 16.143 -3.010 702 HA ALA 91 HA ALA 91 12.554 15.991 -3.291 703 HB1 ALA 91 HB1 ALA 91 13.512 16.195 -5.628 704 HB2 ALA 91 HB2 ALA 91 13.225 14.461 -5.789 705 HB3 ALA 91 HB3 ALA 91 11.873 15.556 -5.504 706 H SER 92 H SER 92 11.119 13.934 -4.750 707 HA SER 92 HA SER 92 10.624 12.144 -2.607 708 HB2 SER 92 HB2 SER 92 8.829 12.751 -4.114 709 HB3 SER 92 HB3 SER 92 9.708 12.089 -5.492 710 HG SER 92 HG SER 92 8.070 10.678 -4.615 711 H THR 93 H THR 93 13.054 12.184 -4.880 712 HA THR 93 HA THR 93 13.314 9.443 -5.525 713 HB THR 93 HB THR 93 15.582 11.428 -5.336 714 HG1 THR 93 HG1 THR 93 13.713 10.990 -7.445 715 HG21 THR 93 HG21 THR 93 15.793 9.729 -7.573 716 HG22 THR 93 HG22 THR 93 15.361 8.703 -6.205 717 HG23 THR 93 HG23 THR 93 16.793 9.730 -6.120 718 H THR 94 H THR 94 14.303 11.356 -2.776 719 HA THR 94 HA THR 94 16.014 9.282 -1.705 720 HB THR 94 HB THR 94 15.165 11.989 -0.710 721 HG1 THR 94 HG1 THR 94 17.058 11.352 -2.224 722 HG21 THR 94 HG21 THR 94 16.187 9.701 0.853 723 HG22 THR 94 HG22 THR 94 15.249 11.101 1.373 724 HG23 THR 94 HG23 THR 94 16.988 11.247 1.127 725 H GLU 95 H GLU 95 15.033 7.504 -0.963 726 HA GLU 95 HA GLU 95 12.477 7.729 0.433 727 HB2 GLU 95 HB2 GLU 95 12.638 5.177 0.392 728 HB3 GLU 95 HB3 GLU 95 12.426 5.993 -1.150 729 HG2 GLU 95 HG2 GLU 95 14.595 5.564 -1.827 730 HG3 GLU 95 HG3 GLU 95 15.164 5.301 -0.179 731 H LEU 96 H LEU 96 12.671 8.243 2.520 732 HA LEU 96 HA LEU 96 14.839 7.037 4.090 733 HB2 LEU 96 HB2 LEU 96 13.940 8.756 5.822 734 HB3 LEU 96 HB3 LEU 96 14.952 9.294 4.483 735 HG LEU 96 HG LEU 96 12.966 10.748 5.038 736 HD11 LEU 96 HD11 LEU 96 14.087 10.000 2.567 737 HD12 LEU 96 HD12 LEU 96 13.269 11.507 2.979 738 HD13 LEU 96 HD13 LEU 96 12.350 10.159 2.311 739 HD21 LEU 96 HD21 LEU 96 11.318 8.741 3.554 740 HD22 LEU 96 HD22 LEU 96 10.799 10.080 4.577 741 HD23 LEU 96 HD23 LEU 96 11.492 8.630 5.305 742 H VAL 97 H VAL 97 11.472 6.892 3.552 743 HA VAL 97 HA VAL 97 11.175 4.749 5.431 744 HB VAL 97 HB VAL 97 10.898 6.855 6.834 745 HG11 VAL 97 HG11 VAL 97 8.123 7.096 5.853 746 HG12 VAL 97 HG12 VAL 97 9.217 8.328 6.486 747 HG13 VAL 97 HG13 VAL 97 9.383 7.771 4.820 748 HG21 VAL 97 HG21 VAL 97 8.721 4.785 6.643 749 HG22 VAL 97 HG22 VAL 97 10.130 4.782 7.703 750 HG23 VAL 97 HG23 VAL 97 8.834 5.950 7.962 751 H ARG 98 H ARG 98 9.313 3.525 5.078 752 HA ARG 98 HA ARG 98 7.635 4.388 2.816 753 HB2 ARG 98 HB2 ARG 98 7.646 2.190 1.905 754 HB3 ARG 98 HB3 ARG 98 9.323 2.608 2.231 755 HG2 ARG 98 HG2 ARG 98 7.698 1.051 4.206 756 HG3 ARG 98 HG3 ARG 98 8.510 0.263 2.852 757 HD2 ARG 98 HD2 ARG 98 10.571 1.655 3.728 758 HD3 ARG 98 HD3 ARG 98 9.662 1.621 5.238 759 HE ARG 98 HE ARG 98 10.149 -0.610 5.446 760 HH11 ARG 98 HH11 ARG 98 10.878 0.436 2.206 761 HH12 ARG 98 HH12 ARG 98 11.670 -1.042 1.768 762 HH21 ARG 98 HH21 ARG 98 11.188 -2.560 4.880 763 HH22 ARG 98 HH22 ARG 98 11.845 -2.746 3.290 764 H VAL 99 H VAL 99 5.464 3.756 2.853 765 HA VAL 99 HA VAL 99 4.510 2.852 5.490 766 HB VAL 99 HB VAL 99 3.284 4.709 3.468 767 HG11 VAL 99 HG11 VAL 99 1.935 2.919 5.377 768 HG12 VAL 99 HG12 VAL 99 1.403 4.602 5.400 769 HG13 VAL 99 HG13 VAL 99 1.329 3.674 3.902 770 HG21 VAL 99 HG21 VAL 99 3.053 6.158 5.469 771 HG22 VAL 99 HG22 VAL 99 3.901 4.932 6.412 772 HG23 VAL 99 HG23 VAL 99 4.727 5.753 5.088 773 H THR 100 H THR 100 3.284 1.069 5.634 774 HA THR 100 HA THR 100 2.380 -0.181 3.121 775 HB THR 100 HB THR 100 3.100 -2.247 3.763 776 HG1 THR 100 HG1 THR 100 2.902 -1.417 6.486 777 HG21 THR 100 HG21 THR 100 5.081 -0.774 3.728 778 HG22 THR 100 HG22 THR 100 5.279 -2.137 4.829 779 HG23 THR 100 HG23 THR 100 4.911 -0.535 5.467 780 H ASN 101 H ASN 101 0.386 -1.230 3.120 781 HA ASN 101 HA ASN 101 -1.783 -1.605 3.690 782 HB2 ASN 101 HB2 ASN 101 -0.415 -2.541 5.794 783 HB3 ASN 101 HB3 ASN 101 -1.288 -1.240 6.600 784 HD21 ASN 101 HD21 ASN 101 -3.674 -1.186 6.088 785 HD22 ASN 101 HD22 ASN 101 -4.493 -2.707 6.071 786 H LEU 102 H LEU 102 -2.688 0.239 2.855 787 HA LEU 102 HA LEU 102 -3.564 2.207 4.808 788 HB2 LEU 102 HB2 LEU 102 -2.992 3.983 2.961 789 HB3 LEU 102 HB3 LEU 102 -1.802 3.498 4.167 790 HG LEU 102 HG LEU 102 -0.972 3.725 1.790 791 HD11 LEU 102 HD11 LEU 102 -0.299 1.952 3.819 792 HD12 LEU 102 HD12 LEU 102 0.695 2.409 2.435 793 HD13 LEU 102 HD13 LEU 102 -0.322 0.970 2.354 794 HD21 LEU 102 HD21 LEU 102 -3.131 2.412 1.017 795 HD22 LEU 102 HD22 LEU 102 -2.080 1.017 1.261 796 HD23 LEU 102 HD23 LEU 102 -1.609 2.290 0.133 797 H ASN 103 H ASN 103 -4.967 3.929 3.475 798 HA ASN 103 HA ASN 103 -7.253 2.638 2.627 799 HB2 ASN 103 HB2 ASN 103 -6.441 5.361 1.613 800 HB3 ASN 103 HB3 ASN 103 -8.067 4.759 1.921 801 HD21 ASN 103 HD21 ASN 103 -7.760 3.624 4.397 802 HD22 ASN 103 HD22 ASN 103 -7.399 4.855 5.555 803 HA PRO 104 HA PRO 104 -6.579 1.274 -1.491 804 HB2 PRO 104 HB2 PRO 104 -9.063 1.568 -2.546 805 HB3 PRO 104 HB3 PRO 104 -8.658 0.303 -1.379 806 HG2 PRO 104 HG2 PRO 104 -10.007 2.937 -0.926 807 HG3 PRO 104 HG3 PRO 104 -10.409 1.346 -0.258 808 HD2 PRO 104 HD2 PRO 104 -9.043 3.213 1.148 809 HD3 PRO 104 HD3 PRO 104 -8.771 1.472 1.359 810 H ILE 105 H ILE 105 -5.192 2.804 -2.384 811 HA ILE 105 HA ILE 105 -6.326 5.255 -3.483 812 HB ILE 105 HB ILE 105 -3.452 4.350 -3.609 813 HG12 ILE 105 HG12 ILE 105 -4.124 4.442 -1.272 814 HG13 ILE 105 HG13 ILE 105 -3.090 5.817 -1.643 815 HG21 ILE 105 HG21 ILE 105 -4.904 6.890 -4.200 816 HG22 ILE 105 HG22 ILE 105 -3.228 6.948 -3.656 817 HG23 ILE 105 HG23 ILE 105 -3.646 6.071 -5.127 818 HD11 ILE 105 HD11 ILE 105 -5.700 6.694 -2.107 819 HD12 ILE 105 HD12 ILE 105 -5.757 5.772 -0.605 820 HD13 ILE 105 HD13 ILE 105 -4.638 7.125 -0.767 821 H TYR 106 H TYR 106 -6.157 5.830 -5.679 822 HA TYR 106 HA TYR 106 -5.227 3.903 -7.615 823 HB2 TYR 106 HB2 TYR 106 -7.546 3.987 -8.775 824 HB3 TYR 106 HB3 TYR 106 -7.315 2.879 -7.427 825 HD1 TYR 106 HD2 TYR 106 -8.311 3.375 -5.228 826 HD2 TYR 106 HD1 TYR 106 -9.046 5.854 -8.608 827 HE1 TYR 106 HE2 TYR 106 -10.228 4.385 -4.065 828 HE2 TYR 106 HE1 TYR 106 -10.965 6.871 -7.454 829 HH TYR 106 HH TYR 106 -12.514 6.360 -5.656 830 H ALA 107 H ALA 107 -7.172 6.832 -7.111 831 HA ALA 107 HA ALA 107 -7.242 8.830 -8.203 832 HB1 ALA 107 HB1 ALA 107 -5.250 9.793 -8.039 833 HB2 ALA 107 HB2 ALA 107 -4.548 8.200 -7.752 834 HB3 ALA 107 HB3 ALA 107 -4.631 8.844 -9.392 835 H ASP 108 H ASP 108 -8.738 8.344 -9.796 836 HA ASP 108 HA ASP 108 -7.896 7.140 -12.285 837 HB2 ASP 108 HB2 ASP 108 -10.157 6.765 -11.218 838 HB3 ASP 108 HB3 ASP 108 -10.562 8.418 -11.668 839 H GLY 109 H GLY 109 -7.069 8.218 -13.946 840 HA2 GLY 109 HA2 GLY 109 -7.794 10.230 -15.418 841 HA3 GLY 109 HA3 GLY 109 -7.336 11.143 -13.989 842 H SER 110 H SER 110 -6.040 11.894 -16.121 843 HA SER 110 HA SER 110 -3.647 10.361 -16.595 844 HB2 SER 110 HB2 SER 110 -4.444 13.143 -17.483 845 HB3 SER 110 HB3 SER 110 -2.995 12.295 -18.022 846 HG SER 110 HG SER 110 -4.208 11.366 -19.449 847 H HIS 111 H HIS 111 -4.156 13.692 -15.416 848 HA HIS 111 HA HIS 111 -3.001 14.975 -13.934 849 HB2 HIS 111 HB2 HIS 111 -3.565 12.812 -12.552 850 HB3 HIS 111 HB3 HIS 111 -1.830 12.530 -12.660 851 HD1 HIS 111 HD1 HIS 111 -0.681 13.337 -10.640 852 HD2 HIS 111 HD2 HIS 111 -3.938 15.730 -11.604 853 HE1 HIS 111 HE1 HIS 111 -0.736 15.137 -8.884 854 H HIS 112 H HIS 112 -1.548 15.902 -15.348 855 HA HIS 112 HA HIS 112 1.180 14.832 -15.198 856 HB2 HIS 112 HB2 HIS 112 -0.142 14.402 -17.441 857 HB3 HIS 112 HB3 HIS 112 0.271 16.084 -17.757 858 HD1 HIS 112 HD1 HIS 112 2.151 16.023 -19.364 859 HD2 HIS 112 HD2 HIS 112 2.612 13.219 -16.334 860 HE1 HIS 112 HE1 HIS 112 4.407 14.980 -19.751 861 H HIS 113 H HIS 113 2.841 16.400 -15.402 862 HA HIS 113 HA HIS 113 2.387 19.143 -15.849 863 HB2 HIS 113 HB2 HIS 113 1.520 18.328 -13.325 864 HB3 HIS 113 HB3 HIS 113 3.099 19.051 -13.034 865 HD1 HIS 113 HD1 HIS 113 -0.190 19.936 -14.714 866 HD2 HIS 113 HD2 HIS 113 3.067 21.763 -12.893 867 HE1 HIS 113 HE1 HIS 113 -0.772 22.379 -14.591 868 H HIS 114 H HIS 114 4.300 20.403 -15.664 869 HA HIS 114 HA HIS 114 6.730 19.266 -14.661 870 HB2 HIS 114 HB2 HIS 114 7.869 19.360 -16.941 871 HB3 HIS 114 HB3 HIS 114 6.787 18.000 -16.659 872 HD1 HIS 114 HD1 HIS 114 6.368 21.510 -18.096 873 HD2 HIS 114 HD2 HIS 114 5.246 17.576 -18.824 874 HE1 HIS 114 HE1 HIS 114 4.987 21.583 -20.195 875 H HIS 115 H HIS 115 5.313 21.645 -14.167 876 HA HIS 115 HA HIS 115 6.991 23.708 -15.423 877 HB2 HIS 115 HB2 HIS 115 4.241 23.617 -14.984 878 HB3 HIS 115 HB3 HIS 115 4.842 24.709 -13.739 879 HD1 HIS 115 HD1 HIS 115 4.394 24.399 -17.427 880 HD2 HIS 115 HD2 HIS 115 5.919 27.127 -14.689 881 HE1 HIS 115 HE1 HIS 115 4.707 26.538 -18.711 882 H HIS 116 H HIS 116 7.194 25.686 -13.787 883 HA HIS 116 HA HIS 116 8.329 26.498 -11.990 884 HB2 HIS 116 HB2 HIS 116 6.780 24.262 -10.685 885 HB3 HIS 116 HB3 HIS 116 7.782 25.383 -9.768 886 HD1 HIS 116 HD1 HIS 116 7.088 28.050 -10.389 887 HD2 HIS 116 HD2 HIS 116 4.216 25.075 -10.787 888 HE1 HIS 116 HE1 HIS 116 4.875 29.243 -10.345 889 H2 B6D 117 H2 B6D 117 19.583 35.331 -0.746 890 H1 B6D 117 H1 B6D 117 18.082 33.672 1.369 891 H3 B6D 117 H3 B6D 117 20.544 34.115 1.893 892 HN2 B6D 117 HN2 B6D 117 20.515 32.674 -0.092 893 H5 B6D 117 H5 B6D 117 18.640 35.476 3.122 894 H8 B6D 117 H22 B6D 117 18.891 30.908 -2.697 895 H8A B6D 117 H21 B6D 117 20.056 30.840 -1.354 896 H8B B6D 117 H23 B6D 117 20.588 31.367 -2.973 897 H4 B6D 117 H4 B6D 117 20.211 37.020 0.998 898 HN4 B6D 117 HN4 B6D 117 21.577 35.829 3.270 899 H9 B6D 117 H43 B6D 117 21.576 38.185 5.457 900 H9A B6D 117 H41 B6D 117 22.743 37.068 4.702 901 H9B B6D 117 H42 B6D 117 22.890 38.820 4.425 902 H6 B6D 117 H62 B6D 117 18.433 37.711 3.829 903 H6A B6D 117 H63 B6D 117 18.597 38.356 2.183 904 H6B B6D 117 H61 B6D 117 17.084 37.584 2.685 905 H1 A2G 118 H1 A2G 118 22.822 34.160 2.274 906 H2 A2G 118 H2 A2G 118 25.098 34.076 1.260 907 H3 A2G 118 H3 A2G 118 23.684 35.369 -1.125 908 H4 A2G 118 H4 A2G 118 24.408 33.403 -2.350 909 H5 A2G 118 H5 A2G 118 22.337 33.209 -1.295 910 H61 A2G 118 H61 A2G 118 23.839 30.661 -1.324 911 H62 A2G 118 H62 A2G 118 22.388 31.167 -2.201 912 H81 A2G 118 H81 A2G 118 23.204 39.023 2.000 913 H82 A2G 118 H82 A2G 118 24.901 39.083 1.460 914 H83 A2G 118 H83 A2G 118 24.472 38.163 2.925 915 HO3 A2G 118 HO3 A2G 118 25.871 36.176 -0.502 916 HO6 A2G 118 HO6 A2G 118 22.223 30.849 0.598 917 HN2 A2G 118 HN2 A2G 118 25.165 36.076 2.268 918 H1 A2G 119 H1 A2G 119 25.389 31.215 -2.462 919 H2 A2G 119 H2 A2G 119 27.313 29.789 -1.768 920 H3 A2G 119 H3 A2G 119 27.406 31.711 0.611 921 H4 A2G 119 H4 A2G 119 29.651 32.220 -0.160 922 H5 A2G 119 H5 A2G 119 27.961 33.533 -1.086 923 H61 A2G 119 H61 A2G 119 29.601 33.013 -3.558 924 H62 A2G 119 H62 A2G 119 30.202 33.883 -2.139 925 H81 A2G 119 H81 A2G 119 23.748 27.986 0.042 926 H82 A2G 119 H82 A2G 119 24.760 27.654 1.471 927 H83 A2G 119 H83 A2G 119 24.682 26.464 0.147 928 HO3 A2G 119 HO3 A2G 119 27.842 29.774 1.476 929 HO6 A2G 119 HO6 A2G 119 28.057 34.615 -3.850 930 HN2 A2G 119 HN2 A2G 119 25.048 30.102 0.085 931 H1 A2G 120 H1 A2G 120 31.511 31.925 -1.521 932 H2 A2G 120 H2 A2G 120 32.865 30.400 -2.957 933 H3 A2G 120 H3 A2G 120 30.220 28.887 -3.214 934 H4 A2G 120 H4 A2G 120 31.429 27.028 -2.228 935 H5 A2G 120 H5 A2G 120 30.400 28.463 -0.705 936 H61 A2G 120 H61 A2G 120 32.882 28.314 0.908 937 H62 A2G 120 H62 A2G 120 32.236 26.805 0.246 938 H81 A2G 120 H81 A2G 120 30.797 32.674 -6.119 939 H82 A2G 120 H82 A2G 120 32.352 33.539 -6.171 940 H83 A2G 120 H83 A2G 120 30.986 34.233 -5.261 941 HO6 A2G 120 HO6 A2G 120 30.733 26.884 1.713 942 HN2 A2G 120 HN2 A2G 120 30.725 30.923 -4.778 943 H1 A2G 121 H1 A2G 121 33.279 25.918 -1.569 944 H2 A2G 121 H2 A2G 121 35.758 25.695 -1.419 945 H3 A2G 121 H3 A2G 121 35.707 28.641 -2.242 946 H4 A2G 121 H4 A2G 121 36.991 27.908 -4.166 947 H5 A2G 121 H5 A2G 121 34.674 27.848 -4.435 948 H61 A2G 121 H61 A2G 121 36.149 26.425 -6.187 949 H62 A2G 121 H62 A2G 121 34.430 26.804 -6.375 950 H81 A2G 121 H81 A2G 121 34.062 26.512 2.703 951 H82 A2G 121 H82 A2G 121 35.266 27.811 2.497 952 H83 A2G 121 H83 A2G 121 35.761 26.251 3.201 953 HO3 A2G 121 HO3 A2G 121 37.598 28.822 -1.401 954 HO6 A2G 121 HO6 A2G 121 34.661 24.593 -6.630 955 HN2 A2G 121 HN2 A2G 121 34.782 27.981 0.193 956 H1 A2G 122 H1 A2G 122 38.045 26.191 -5.513 957 H2 A2G 122 H2 A2G 122 39.539 24.200 -5.393 958 H3 A2G 122 H3 A2G 122 38.230 23.836 -2.653 959 H4 A2G 122 H4 A2G 122 40.485 24.048 -1.781 960 H5 A2G 122 H5 A2G 122 39.319 26.053 -2.014 961 H61 A2G 122 H61 A2G 122 40.914 27.836 -2.111 962 H62 A2G 122 H62 A2G 122 42.027 26.835 -3.054 963 H81 A2G 122 H81 A2G 122 36.286 21.020 -6.570 964 H82 A2G 122 H82 A2G 122 36.623 21.933 -8.063 965 H83 A2G 122 H83 A2G 122 35.639 22.675 -6.778 966 HO3 A2G 122 HO3 A2G 122 38.452 21.846 -3.732 967 HO6 A2G 122 HO6 A2G 122 41.176 26.294 -0.382 968 HN2 A2G 122 HN2 A2G 122 36.641 23.805 -5.079 969 H2 BGC 123 H2 BGC 123 32.223 27.435 -6.823 970 H3 BGC 123 H3 BGC 123 29.679 25.831 -7.295 971 H4 BGC 123 H4 BGC 123 32.343 24.551 -6.484 972 H5 BGC 123 H5 BGC 123 29.798 24.894 -4.813 973 H6C1 BGC 123 H61 BGC 123 31.720 22.821 -4.596 974 H6C2 BGC 123 H62 BGC 123 32.181 23.999 -3.353 975 H1 BGC 123 H1 BGC 123 29.920 27.377 -4.809 976 HB BGC 123 HO2 BGC 123 30.572 28.334 -8.090 977 HC BGC 123 HO3 BGC 123 31.131 24.961 -8.922 978 HD BGC 123 HO4 BGC 123 31.239 22.749 -6.904 979 H6 BGC 123 HO6 BGC 123 30.305 23.653 -2.331 Start of MODEL 18 1 H1 ASP 1 H ASP 1 1.030 0.132 -1.175 2 HA ASP 1 HA ASP 1 3.071 -0.173 0.405 3 HB2 ASP 1 HB2 ASP 1 3.660 -2.302 -0.752 4 HB3 ASP 1 HB3 ASP 1 4.072 -1.367 -2.187 5 H VAL 2 H VAL 2 3.340 1.964 0.526 6 HA VAL 2 HA VAL 2 4.234 3.378 -1.902 7 HB VAL 2 HB VAL 2 1.865 3.923 -0.965 8 HG11 VAL 2 HG11 VAL 2 2.719 4.162 1.378 9 HG12 VAL 2 HG12 VAL 2 3.521 5.647 0.867 10 HG13 VAL 2 HG13 VAL 2 1.762 5.523 0.796 11 HG21 VAL 2 HG21 VAL 2 3.799 6.180 -1.462 12 HG22 VAL 2 HG22 VAL 2 3.109 5.165 -2.728 13 HG23 VAL 2 HG23 VAL 2 2.059 6.186 -1.746 14 H ILE 3 H ILE 3 5.599 5.251 -1.509 15 HA ILE 3 HA ILE 3 7.169 4.967 0.970 16 HB ILE 3 HB ILE 3 8.119 5.899 -1.742 17 HG12 ILE 3 HG12 ILE 3 8.526 3.334 -0.202 18 HG13 ILE 3 HG13 ILE 3 7.813 3.529 -1.799 19 HG21 ILE 3 HG21 ILE 3 10.327 6.001 -0.765 20 HG22 ILE 3 HG22 ILE 3 9.226 7.030 0.151 21 HG23 ILE 3 HG23 ILE 3 9.696 5.455 0.789 22 HD11 ILE 3 HD11 ILE 3 9.886 2.766 -2.351 23 HD12 ILE 3 HD12 ILE 3 10.179 4.506 -2.375 24 HD13 ILE 3 HD13 ILE 3 10.665 3.549 -0.976 25 H ILE 4 H ILE 4 7.603 6.745 2.172 26 HA ILE 4 HA ILE 4 6.161 9.179 1.482 27 HB ILE 4 HB ILE 4 7.601 8.374 4.011 28 HG12 ILE 4 HG12 ILE 4 4.655 8.677 3.387 29 HG13 ILE 4 HG13 ILE 4 5.511 7.148 3.559 30 HG21 ILE 4 HG21 ILE 4 6.778 10.965 3.079 31 HG22 ILE 4 HG22 ILE 4 5.876 10.516 4.526 32 HG23 ILE 4 HG23 ILE 4 7.639 10.527 4.555 33 HD11 ILE 4 HD11 ILE 4 5.319 7.193 5.768 34 HD12 ILE 4 HD12 ILE 4 5.868 8.867 5.862 35 HD13 ILE 4 HD13 ILE 4 4.172 8.512 5.539 36 H LYS 5 H LYS 5 7.115 10.848 0.542 37 HA LYS 5 HA LYS 5 9.972 11.324 1.040 38 HB2 LYS 5 HB2 LYS 5 8.567 11.059 -1.588 39 HB3 LYS 5 HB3 LYS 5 9.924 12.169 -1.452 40 HG2 LYS 5 HG2 LYS 5 11.341 10.491 -1.694 41 HG3 LYS 5 HG3 LYS 5 10.672 9.696 -0.268 42 HD2 LYS 5 HD2 LYS 5 9.049 8.540 -1.578 43 HD3 LYS 5 HD3 LYS 5 9.438 9.496 -3.010 44 HE2 LYS 5 HE2 LYS 5 11.667 8.505 -3.074 45 HE3 LYS 5 HE3 LYS 5 11.304 7.572 -1.623 46 HZ1 LYS 5 HZ1 LYS 5 10.235 7.241 -4.348 47 HZ2 LYS 5 HZ2 LYS 5 9.353 6.681 -3.018 48 HZ3 LYS 5 HZ3 LYS 5 10.906 6.079 -3.318 49 HA PRO 6 HA PRO 6 8.839 15.501 1.783 50 HB2 PRO 6 HB2 PRO 6 11.066 16.806 0.944 51 HB3 PRO 6 HB3 PRO 6 11.016 15.850 2.429 52 HG2 PRO 6 HG2 PRO 6 12.076 15.102 -0.267 53 HG3 PRO 6 HG3 PRO 6 12.777 14.801 1.332 54 HD2 PRO 6 HD2 PRO 6 11.427 12.902 -0.047 55 HD3 PRO 6 HD3 PRO 6 11.414 12.984 1.726 56 H GLN 7 H GLN 7 9.466 17.785 0.473 57 HA GLN 7 HA GLN 7 8.254 17.405 -2.185 58 HB2 GLN 7 HB2 GLN 7 6.739 18.545 -0.661 59 HB3 GLN 7 HB3 GLN 7 7.978 19.729 -0.272 60 HG2 GLN 7 HG2 GLN 7 7.851 20.726 -2.387 61 HG3 GLN 7 HG3 GLN 7 6.971 19.358 -3.070 62 HE21 GLN 7 HE21 GLN 7 4.964 18.923 -1.383 63 HE22 GLN 7 HE22 GLN 7 3.936 20.306 -1.256 64 H VAL 8 H VAL 8 11.003 18.406 -0.532 65 HA VAL 8 HA VAL 8 12.060 19.639 -2.973 66 HB VAL 8 HB VAL 8 13.263 21.340 -1.615 67 HG11 VAL 8 HG11 VAL 8 11.623 22.784 -2.071 68 HG12 VAL 8 HG12 VAL 8 10.671 21.381 -2.561 69 HG13 VAL 8 HG13 VAL 8 10.523 22.021 -0.924 70 HG21 VAL 8 HG21 VAL 8 11.790 21.648 0.660 71 HG22 VAL 8 HG22 VAL 8 11.921 19.893 0.550 72 HG23 VAL 8 HG23 VAL 8 13.378 20.885 0.580 73 H SER 9 H SER 9 14.513 19.924 -2.758 74 HA SER 9 HA SER 9 15.600 17.503 -1.484 75 HB2 SER 9 HB2 SER 9 17.339 18.730 -3.464 76 HB3 SER 9 HB3 SER 9 16.728 17.078 -3.380 77 HG SER 9 HG SER 9 16.051 18.786 -5.144 78 H GLY 10 H GLY 10 17.173 17.670 0.001 79 HA2 GLY 10 HA2 GLY 10 19.059 19.770 0.136 80 HA3 GLY 10 HA3 GLY 10 17.748 20.094 1.262 81 H VAL 11 H VAL 11 18.020 19.355 3.253 82 HA VAL 11 HA VAL 11 19.446 16.840 3.681 83 HB VAL 11 HB VAL 11 20.155 19.273 5.309 84 HG11 VAL 11 HG11 VAL 11 21.310 17.849 6.561 85 HG12 VAL 11 HG12 VAL 11 20.622 16.519 5.626 86 HG13 VAL 11 HG13 VAL 11 22.162 17.235 5.144 87 HG21 VAL 11 HG21 VAL 11 21.352 18.258 2.762 88 HG22 VAL 11 HG22 VAL 11 20.992 19.916 3.243 89 HG23 VAL 11 HG23 VAL 11 22.360 19.067 3.962 90 H ILE 12 H ILE 12 18.850 15.742 5.536 91 HA ILE 12 HA ILE 12 16.264 16.179 6.523 92 HB ILE 12 HB ILE 12 18.479 14.547 7.772 93 HG12 ILE 12 HG12 ILE 12 17.869 13.966 5.402 94 HG13 ILE 12 HG13 ILE 12 17.594 12.671 6.562 95 HG21 ILE 12 HG21 ILE 12 16.362 13.264 8.602 96 HG22 ILE 12 HG22 ILE 12 16.929 14.693 9.465 97 HG23 ILE 12 HG23 ILE 12 15.566 14.818 8.353 98 HD11 ILE 12 HD11 ILE 12 15.239 14.292 6.284 99 HD12 ILE 12 HD12 ILE 12 15.788 13.702 4.715 100 HD13 ILE 12 HD13 ILE 12 15.455 12.562 6.019 101 H VAL 13 H VAL 13 15.494 16.931 8.495 102 HA VAL 13 HA VAL 13 17.390 18.583 10.034 103 HB VAL 13 HB VAL 13 14.448 19.158 9.950 104 HG11 VAL 13 HG11 VAL 13 16.569 20.229 11.352 105 HG12 VAL 13 HG12 VAL 13 16.330 21.373 10.029 106 HG13 VAL 13 HG13 VAL 13 14.993 20.982 11.113 107 HG21 VAL 13 HG21 VAL 13 16.419 19.576 7.793 108 HG22 VAL 13 HG22 VAL 13 14.664 19.422 7.714 109 HG23 VAL 13 HG23 VAL 13 15.393 20.957 8.186 110 H ASN 14 H ASN 14 14.600 16.442 10.173 111 HA ASN 14 HA ASN 14 15.339 15.374 12.679 112 HB2 ASN 14 HB2 ASN 14 14.279 17.743 13.161 113 HB3 ASN 14 HB3 ASN 14 12.764 16.873 12.933 114 HD21 ASN 14 HD21 ASN 14 12.188 17.176 15.084 115 HD22 ASN 14 HD22 ASN 14 12.934 16.290 16.366 116 H LYS 15 H LYS 15 13.392 14.055 13.617 117 HA LYS 15 HA LYS 15 11.623 13.109 11.490 118 HB2 LYS 15 HB2 LYS 15 12.189 10.748 12.021 119 HB3 LYS 15 HB3 LYS 15 13.527 11.637 11.305 120 HG2 LYS 15 HG2 LYS 15 13.859 11.986 14.035 121 HG3 LYS 15 HG3 LYS 15 13.351 10.304 13.860 122 HD2 LYS 15 HD2 LYS 15 15.552 11.537 12.216 123 HD3 LYS 15 HD3 LYS 15 15.840 10.723 13.756 124 HE2 LYS 15 HE2 LYS 15 14.273 8.926 12.380 125 HE3 LYS 15 HE3 LYS 15 15.294 9.609 11.116 126 HZ1 LYS 15 HZ1 LYS 15 16.253 8.386 13.647 127 HZ2 LYS 15 HZ2 LYS 15 17.239 9.057 12.448 128 HZ3 LYS 15 HZ3 LYS 15 16.324 7.674 12.114 129 H LEU 16 H LEU 16 9.646 13.244 12.306 130 HA LEU 16 HA LEU 16 9.255 12.700 15.171 131 HB2 LEU 16 HB2 LEU 16 7.158 13.993 13.504 132 HB3 LEU 16 HB3 LEU 16 7.528 14.207 15.214 133 HG LEU 16 HG LEU 16 9.114 15.340 12.910 134 HD11 LEU 16 HD11 LEU 16 7.962 17.257 13.101 135 HD12 LEU 16 HD12 LEU 16 7.815 17.115 14.853 136 HD13 LEU 16 HD13 LEU 16 6.714 16.225 13.801 137 HD21 LEU 16 HD21 LEU 16 9.588 16.480 15.522 138 HD22 LEU 16 HD22 LEU 16 10.736 15.845 14.343 139 HD23 LEU 16 HD23 LEU 16 9.960 14.755 15.493 140 H PHE 17 H PHE 17 9.515 10.433 13.848 141 HA PHE 17 HA PHE 17 6.768 9.410 13.698 142 HB2 PHE 17 HB2 PHE 17 7.034 8.390 11.663 143 HB3 PHE 17 HB3 PHE 17 8.088 9.778 11.418 144 HD1 PHE 17 HD2 PHE 17 10.585 9.442 12.000 145 HD2 PHE 17 HD1 PHE 17 7.845 6.254 11.335 146 HE1 PHE 17 HE2 PHE 17 12.467 7.928 11.525 147 HE2 PHE 17 HE1 PHE 17 9.721 4.735 10.859 148 HZ PHE 17 HZ PHE 17 12.035 5.572 10.953 149 H LYS 18 H LYS 18 6.788 6.938 13.754 150 HA LYS 18 HA LYS 18 8.956 5.972 15.496 151 HB2 LYS 18 HB2 LYS 18 5.985 5.775 15.885 152 HB3 LYS 18 HB3 LYS 18 7.056 4.566 16.579 153 HG2 LYS 18 HG2 LYS 18 7.483 7.489 17.074 154 HG3 LYS 18 HG3 LYS 18 6.349 6.543 18.040 155 HD2 LYS 18 HD2 LYS 18 8.967 5.279 17.713 156 HD3 LYS 18 HD3 LYS 18 9.022 6.828 18.559 157 HE2 LYS 18 HE2 LYS 18 7.752 6.066 20.315 158 HE3 LYS 18 HE3 LYS 18 6.947 4.838 19.339 159 HZ1 LYS 18 HZ1 LYS 18 9.585 4.110 19.333 160 HZ2 LYS 18 HZ2 LYS 18 8.353 3.401 20.252 161 HZ3 LYS 18 HZ3 LYS 18 9.311 4.624 20.922 162 H ALA 19 H ALA 19 9.241 3.646 15.503 163 HA ALA 19 HA ALA 19 8.782 2.528 12.859 164 HB1 ALA 19 HB1 ALA 19 10.694 1.432 13.178 165 HB2 ALA 19 HB2 ALA 19 10.887 2.391 14.646 166 HB3 ALA 19 HB3 ALA 19 10.155 0.789 14.730 167 H GLY 20 H GLY 20 6.898 1.533 12.527 168 HA2 GLY 20 HA2 GLY 20 5.457 -0.308 12.745 169 HA3 GLY 20 HA3 GLY 20 6.113 -0.605 14.347 170 H ASP 21 H ASP 21 5.143 2.609 13.542 171 HA ASP 21 HA ASP 21 2.856 2.328 15.366 172 HB2 ASP 21 HB2 ASP 21 4.947 4.249 15.178 173 HB3 ASP 21 HB3 ASP 21 3.435 5.066 14.793 174 H LYS 22 H LYS 22 1.239 4.312 14.838 175 HA LYS 22 HA LYS 22 0.349 3.792 12.092 176 HB2 LYS 22 HB2 LYS 22 -1.001 4.236 14.656 177 HB3 LYS 22 HB3 LYS 22 -1.704 5.146 13.325 178 HG2 LYS 22 HG2 LYS 22 -1.268 2.547 12.355 179 HG3 LYS 22 HG3 LYS 22 -1.973 2.373 13.964 180 HD2 LYS 22 HD2 LYS 22 -3.599 4.254 13.067 181 HD3 LYS 22 HD3 LYS 22 -3.118 3.593 11.502 182 HE2 LYS 22 HE2 LYS 22 -3.650 1.307 12.765 183 HE3 LYS 22 HE3 LYS 22 -4.716 2.370 13.682 184 HZ1 LYS 22 HZ1 LYS 22 -6.053 2.712 11.908 185 HZ2 LYS 22 HZ2 LYS 22 -5.467 1.192 11.453 186 HZ3 LYS 22 HZ3 LYS 22 -4.802 2.593 10.776 187 H VAL 23 H VAL 23 -0.406 5.504 10.761 188 HA VAL 23 HA VAL 23 0.597 8.168 11.525 189 HB VAL 23 HB VAL 23 1.027 8.528 9.062 190 HG11 VAL 23 HG11 VAL 23 2.679 6.363 10.355 191 HG12 VAL 23 HG12 VAL 23 3.207 7.511 9.124 192 HG13 VAL 23 HG13 VAL 23 2.797 8.078 10.743 193 HG21 VAL 23 HG21 VAL 23 1.051 5.533 8.859 194 HG22 VAL 23 HG22 VAL 23 -0.382 6.477 8.449 195 HG23 VAL 23 HG23 VAL 23 1.124 6.731 7.565 196 H LYS 24 H LYS 24 -0.432 9.959 10.320 197 HA LYS 24 HA LYS 24 -3.277 9.370 9.838 198 HB2 LYS 24 HB2 LYS 24 -1.947 11.372 11.423 199 HB3 LYS 24 HB3 LYS 24 -2.928 12.148 10.186 200 HG2 LYS 24 HG2 LYS 24 -4.027 9.988 11.955 201 HG3 LYS 24 HG3 LYS 24 -4.014 11.686 12.441 202 HD2 LYS 24 HD2 LYS 24 -5.258 10.658 9.892 203 HD3 LYS 24 HD3 LYS 24 -6.150 10.941 11.388 204 HE2 LYS 24 HE2 LYS 24 -4.580 13.250 10.754 205 HE3 LYS 24 HE3 LYS 24 -5.542 12.790 9.351 206 HZ1 LYS 24 HZ1 LYS 24 -7.214 12.587 11.544 207 HZ2 LYS 24 HZ2 LYS 24 -7.261 13.758 10.325 208 HZ3 LYS 24 HZ3 LYS 24 -6.380 14.046 11.740 209 H LYS 25 H LYS 25 -4.151 11.539 8.555 210 HA LYS 25 HA LYS 25 -2.925 11.259 5.942 211 HB2 LYS 25 HB2 LYS 25 -5.444 12.581 6.931 212 HB3 LYS 25 HB3 LYS 25 -4.883 12.773 5.276 213 HG2 LYS 25 HG2 LYS 25 -5.072 10.415 4.877 214 HG3 LYS 25 HG3 LYS 25 -5.458 10.119 6.573 215 HD2 LYS 25 HD2 LYS 25 -7.586 10.980 6.377 216 HD3 LYS 25 HD3 LYS 25 -7.161 11.997 4.998 217 HE2 LYS 25 HE2 LYS 25 -7.712 10.402 3.536 218 HE3 LYS 25 HE3 LYS 25 -6.829 9.167 4.432 219 HZ1 LYS 25 HZ1 LYS 25 -8.677 8.490 5.485 220 HZ2 LYS 25 HZ2 LYS 25 -9.480 9.204 4.180 221 HZ3 LYS 25 HZ3 LYS 25 -9.316 10.048 5.636 222 H GLY 26 H GLY 26 -0.928 12.364 6.543 223 HA2 GLY 26 HA2 GLY 26 0.148 14.370 5.720 224 HA3 GLY 26 HA3 GLY 26 -1.242 15.285 6.287 225 H GLN 27 H GLN 27 -0.184 12.840 8.412 226 HA GLN 27 HA GLN 27 0.480 14.727 10.434 227 HB2 GLN 27 HB2 GLN 27 0.458 12.958 11.867 228 HB3 GLN 27 HB3 GLN 27 -0.397 12.203 10.527 229 HG2 GLN 27 HG2 GLN 27 1.391 10.894 9.941 230 HG3 GLN 27 HG3 GLN 27 2.570 11.998 10.647 231 HE21 GLN 27 HE21 GLN 27 -0.346 10.638 12.093 232 HE22 GLN 27 HE22 GLN 27 0.462 9.790 13.363 233 H THR 28 H THR 28 2.480 15.088 11.451 234 HA THR 28 HA THR 28 4.694 15.264 9.687 235 HB THR 28 HB THR 28 5.228 15.456 12.592 236 HG1 THR 28 HG1 THR 28 3.575 17.380 11.297 237 HG21 THR 28 HG21 THR 28 5.967 17.803 11.560 238 HG22 THR 28 HG22 THR 28 5.956 16.850 10.076 239 HG23 THR 28 HG23 THR 28 6.970 16.359 11.432 240 H LEU 29 H LEU 29 6.414 13.966 9.394 241 HA LEU 29 HA LEU 29 6.848 11.742 11.257 242 HB2 LEU 29 HB2 LEU 29 6.853 11.427 8.262 243 HB3 LEU 29 HB3 LEU 29 7.100 10.162 9.462 244 HG LEU 29 HG LEU 29 4.515 11.679 9.179 245 HD11 LEU 29 HD11 LEU 29 5.419 9.134 7.856 246 HD12 LEU 29 HD12 LEU 29 4.794 10.596 7.094 247 HD13 LEU 29 HD13 LEU 29 3.721 9.572 8.049 248 HD21 LEU 29 HD21 LEU 29 4.984 10.544 11.335 249 HD22 LEU 29 HD22 LEU 29 5.130 9.019 10.460 250 HD23 LEU 29 HD23 LEU 29 3.591 9.882 10.480 251 H PHE 30 H PHE 30 8.079 13.736 8.623 252 HA PHE 30 HA PHE 30 10.755 13.516 9.775 253 HB2 PHE 30 HB2 PHE 30 9.954 12.627 7.048 254 HB3 PHE 30 HB3 PHE 30 11.499 13.455 7.215 255 HD1 PHE 30 HD1 PHE 30 9.577 10.465 8.085 256 HD2 PHE 30 HD2 PHE 30 13.339 12.435 8.381 257 HE1 PHE 30 HE1 PHE 30 10.617 8.360 8.821 258 HE2 PHE 30 HE2 PHE 30 14.385 10.333 9.117 259 HZ PHE 30 HZ PHE 30 13.025 8.292 9.338 260 H ILE 31 H ILE 31 12.274 15.083 8.504 261 HA ILE 31 HA ILE 31 10.902 17.429 7.477 262 HB ILE 31 HB ILE 31 12.696 17.658 9.895 263 HG12 ILE 31 HG12 ILE 31 9.694 17.923 9.635 264 HG13 ILE 31 HG13 ILE 31 10.565 16.697 10.549 265 HG21 ILE 31 HG21 ILE 31 12.204 19.988 9.859 266 HG22 ILE 31 HG22 ILE 31 12.734 19.535 8.239 267 HG23 ILE 31 HG23 ILE 31 11.019 19.777 8.570 268 HD11 ILE 31 HD11 ILE 31 10.227 18.029 12.297 269 HD12 ILE 31 HD12 ILE 31 11.521 19.021 11.625 270 HD13 ILE 31 HD13 ILE 31 9.837 19.415 11.281 271 H ILE 32 H ILE 32 12.126 18.586 6.070 272 HA ILE 32 HA ILE 32 15.011 18.103 5.970 273 HB ILE 32 HB ILE 32 13.077 17.546 3.743 274 HG12 ILE 32 HG12 ILE 32 15.521 15.943 4.135 275 HG13 ILE 32 HG13 ILE 32 14.388 15.904 5.481 276 HG21 ILE 32 HG21 ILE 32 15.102 17.447 2.243 277 HG22 ILE 32 HG22 ILE 32 14.571 19.062 2.709 278 HG23 ILE 32 HG23 ILE 32 15.969 18.333 3.498 279 HD11 ILE 32 HD11 ILE 32 14.229 14.648 2.871 280 HD12 ILE 32 HD12 ILE 32 13.374 14.274 4.368 281 HD13 ILE 32 HD13 ILE 32 12.767 15.536 3.296 282 H GLU 33 H GLU 33 16.202 19.820 5.257 283 HA GLU 33 HA GLU 33 14.690 22.266 4.630 284 HB2 GLU 33 HB2 GLU 33 15.861 22.660 6.627 285 HB3 GLU 33 HB3 GLU 33 17.291 21.807 6.062 286 HG2 GLU 33 HG2 GLU 33 16.560 24.145 4.458 287 HG3 GLU 33 HG3 GLU 33 17.008 24.503 6.125 288 H GLN 34 H GLN 34 14.617 22.388 2.458 289 HA GLN 34 HA GLN 34 16.328 21.410 0.576 290 HB2 GLN 34 HB2 GLN 34 15.602 23.490 -0.802 291 HB3 GLN 34 HB3 GLN 34 14.383 22.331 -0.291 292 HG2 GLN 34 HG2 GLN 34 14.756 24.379 1.701 293 HG3 GLN 34 HG3 GLN 34 14.385 25.081 0.126 294 HE21 GLN 34 HE21 GLN 34 13.185 23.394 2.834 295 HE22 GLN 34 HE22 GLN 34 11.552 23.222 2.296 296 H ASP 35 H ASP 35 18.042 22.290 -0.678 297 HA ASP 35 HA ASP 35 19.953 23.741 0.901 298 HB2 ASP 35 HB2 ASP 35 20.257 21.841 -0.953 299 HB3 ASP 35 HB3 ASP 35 20.435 23.250 -1.995 300 H GLN 36 H GLN 36 18.319 24.347 -2.207 301 HA GLN 36 HA GLN 36 18.010 26.262 -3.408 302 HB2 GLN 36 HB2 GLN 36 17.071 26.658 -0.758 303 HB3 GLN 36 HB3 GLN 36 17.808 28.164 -1.286 304 HG2 GLN 36 HG2 GLN 36 15.372 27.990 -1.740 305 HG3 GLN 36 HG3 GLN 36 16.361 28.311 -3.163 306 HE21 GLN 36 HE21 GLN 36 14.328 26.032 -1.536 307 HE22 GLN 36 HE22 GLN 36 14.171 24.918 -2.847 308 H ALA 37 H ALA 37 18.633 28.945 -2.797 309 HA ALA 37 HA ALA 37 21.390 28.989 -3.552 310 HB1 ALA 37 HB1 ALA 37 20.988 31.091 -4.225 311 HB2 ALA 37 HB2 ALA 37 19.296 30.666 -3.966 312 HB3 ALA 37 HB3 ALA 37 20.190 31.530 -2.715 313 H SER 38 H SER 38 21.148 27.755 -1.061 314 HA SER 38 HA SER 38 22.023 27.741 1.039 315 HB2 SER 38 HB2 SER 38 23.971 28.656 -0.509 316 HB3 SER 38 HB3 SER 38 23.716 30.126 0.431 317 HG SER 38 HG SER 38 23.993 27.647 1.729 318 H LYS 39 H LYS 39 20.219 28.348 2.203 319 HA LYS 39 HA LYS 39 19.170 30.907 2.475 320 HB2 LYS 39 HB2 LYS 39 19.208 28.817 4.654 321 HB3 LYS 39 HB3 LYS 39 18.023 30.097 4.423 322 HG2 LYS 39 HG2 LYS 39 18.361 27.537 2.938 323 HG3 LYS 39 HG3 LYS 39 16.902 28.265 3.613 324 HD2 LYS 39 HD2 LYS 39 17.419 30.132 1.824 325 HD3 LYS 39 HD3 LYS 39 18.291 28.817 1.035 326 HE2 LYS 39 HE2 LYS 39 15.369 29.026 1.674 327 HE3 LYS 39 HE3 LYS 39 16.141 28.717 0.120 328 HZ1 LYS 39 HZ1 LYS 39 15.377 26.648 0.726 329 HZ2 LYS 39 HZ2 LYS 39 15.704 26.871 2.370 330 HZ3 LYS 39 HZ3 LYS 39 16.972 26.588 1.287 331 H ASP 40 H ASP 40 22.037 29.546 3.807 332 HA ASP 40 HA ASP 40 22.385 31.111 6.095 333 HB2 ASP 40 HB2 ASP 40 23.788 29.117 5.138 334 HB3 ASP 40 HB3 ASP 40 24.717 30.393 4.355 335 H PHE 41 H PHE 41 22.324 32.032 2.837 336 HA PHE 41 HA PHE 41 24.077 34.301 3.065 337 HB2 PHE 41 HB2 PHE 41 22.724 32.913 0.957 338 HB3 PHE 41 HB3 PHE 41 22.326 34.625 0.857 339 HD1 PHE 41 HD1 PHE 41 24.854 35.812 1.854 340 HD2 PHE 41 HD2 PHE 41 24.160 32.594 -0.845 341 HE1 PHE 41 HE1 PHE 41 27.022 36.252 0.777 342 HE2 PHE 41 HE2 PHE 41 26.328 33.028 -1.925 343 HZ PHE 41 HZ PHE 41 27.762 34.858 -1.115 344 H ASN 42 H ASN 42 21.449 33.832 4.689 345 HA ASN 42 HA ASN 42 19.487 35.628 4.192 346 HB2 ASN 42 HB2 ASN 42 19.277 34.301 6.138 347 HB3 ASN 42 HB3 ASN 42 20.796 34.893 6.805 348 HD21 ASN 42 HD21 ASN 42 17.519 35.120 6.991 349 H ARG 43 H ARG 43 22.658 36.365 5.579 350 HA ARG 43 HA ARG 43 23.864 38.309 5.549 351 HB2 ARG 43 HB2 ARG 43 22.546 38.669 3.345 352 HB3 ARG 43 HB3 ARG 43 21.554 39.764 4.298 353 HG2 ARG 43 HG2 ARG 43 24.516 40.083 4.327 354 HG3 ARG 43 HG3 ARG 43 23.590 40.659 2.940 355 HD2 ARG 43 HD2 ARG 43 22.102 41.710 4.881 356 HD3 ARG 43 HD3 ARG 43 23.641 41.637 5.739 357 HE ARG 43 HE ARG 43 24.154 42.788 3.271 358 HH11 ARG 43 HH11 ARG 43 22.264 43.500 6.107 359 HH12 ARG 43 HH12 ARG 43 22.374 45.217 5.908 360 HH21 ARG 43 HH21 ARG 43 24.306 45.047 2.998 361 HH22 ARG 43 HH22 ARG 43 23.534 46.097 4.140 362 H SER 44 H SER 44 20.420 39.096 6.058 363 HA SER 44 HA SER 44 20.674 41.162 7.838 364 HB2 SER 44 HB2 SER 44 18.592 39.003 8.183 365 HB3 SER 44 HB3 SER 44 18.444 40.724 8.538 366 HG SER 44 HG SER 44 18.308 41.167 6.408 367 H LYS 45 H LYS 45 20.903 37.707 8.496 368 HA LYS 45 HA LYS 45 21.006 37.913 11.318 369 HB2 LYS 45 HB2 LYS 45 22.094 35.762 9.493 370 HB3 LYS 45 HB3 LYS 45 21.911 35.612 11.235 371 HG2 LYS 45 HG2 LYS 45 19.574 35.606 11.104 372 HG3 LYS 45 HG3 LYS 45 19.580 36.228 9.452 373 HD2 LYS 45 HD2 LYS 45 20.447 34.152 8.612 374 HD3 LYS 45 HD3 LYS 45 20.673 33.532 10.248 375 HE2 LYS 45 HE2 LYS 45 18.015 34.260 9.024 376 HE3 LYS 45 HE3 LYS 45 18.660 32.624 9.132 377 HZ1 LYS 45 HZ1 LYS 45 17.778 34.398 11.325 378 HZ2 LYS 45 HZ2 LYS 45 18.797 33.079 11.617 379 HZ3 LYS 45 HZ3 LYS 45 17.257 32.830 10.961 380 H ALA 46 H ALA 46 23.440 38.074 8.795 381 HA ALA 46 HA ALA 46 25.423 38.798 10.850 382 HB1 ALA 46 HB1 ALA 46 27.128 37.792 9.212 383 HB2 ALA 46 HB2 ALA 46 26.163 36.688 10.194 384 HB3 ALA 46 HB3 ALA 46 25.743 36.961 8.503 385 H LEU 47 H LEU 47 24.773 40.997 10.391 386 HA LEU 47 HA LEU 47 24.724 42.301 7.992 387 HB2 LEU 47 HB2 LEU 47 26.006 43.408 10.482 388 HB3 LEU 47 HB3 LEU 47 25.273 44.325 9.168 389 HG LEU 47 HG LEU 47 23.985 42.862 11.419 390 HD11 LEU 47 HD11 LEU 47 22.440 44.915 11.058 391 HD12 LEU 47 HD12 LEU 47 23.781 45.531 10.093 392 HD13 LEU 47 HD13 LEU 47 24.026 45.139 11.794 393 HD21 LEU 47 HD21 LEU 47 21.820 43.071 10.073 394 HD22 LEU 47 HD22 LEU 47 22.892 41.722 9.695 395 HD23 LEU 47 HD23 LEU 47 22.861 43.144 8.651 396 H PHE 48 H PHE 48 26.119 42.527 6.386 397 HA PHE 48 HA PHE 48 28.676 41.528 6.293 398 HB2 PHE 48 HB2 PHE 48 28.953 42.673 4.237 399 HB3 PHE 48 HB3 PHE 48 27.227 42.348 4.363 400 HD1 PHE 48 HD2 PHE 48 26.060 44.376 5.875 401 HD2 PHE 48 HD1 PHE 48 29.403 44.685 3.257 402 HE1 PHE 48 HE2 PHE 48 25.589 46.770 5.559 403 HE2 PHE 48 HE1 PHE 48 28.936 47.080 2.938 404 HZ PHE 48 HZ PHE 48 27.026 48.125 4.089 405 H SER 49 H SER 49 30.670 42.198 6.850 406 HA SER 49 HA SER 49 30.859 44.738 8.310 407 HB2 SER 49 HB2 SER 49 33.104 43.649 9.063 408 HB3 SER 49 HB3 SER 49 31.593 43.050 9.747 409 HG SER 49 HG SER 49 32.620 41.876 7.413 410 H GLN 50 H GLN 50 31.672 43.325 5.369 411 HA GLN 50 HA GLN 50 32.910 45.584 4.324 412 HB2 GLN 50 HB2 GLN 50 34.683 44.055 5.917 413 HB3 GLN 50 HB3 GLN 50 35.145 43.792 4.241 414 HG2 GLN 50 HG2 GLN 50 34.693 46.549 5.315 415 HG3 GLN 50 HG3 GLN 50 36.236 45.720 5.517 416 HE21 GLN 50 HE21 GLN 50 33.978 47.049 3.208 417 HE22 GLN 50 HE22 GLN 50 35.091 47.169 1.893 418 H SER 51 H SER 51 32.651 42.082 4.242 419 HA SER 51 HA SER 51 31.699 42.072 1.574 420 HB2 SER 51 HB2 SER 51 34.500 42.123 1.778 421 HB3 SER 51 HB3 SER 51 34.087 40.448 1.415 422 HG SER 51 HG SER 51 32.920 41.188 -0.386 423 H ALA 52 H ALA 52 31.105 41.022 4.245 424 HA ALA 52 HA ALA 52 31.546 38.214 4.286 425 HB1 ALA 52 HB1 ALA 52 29.213 39.377 5.708 426 HB2 ALA 52 HB2 ALA 52 30.415 38.210 6.264 427 HB3 ALA 52 HB3 ALA 52 30.824 39.923 6.175 428 H ILE 53 H ILE 53 28.749 40.213 3.378 429 HA ILE 53 HA ILE 53 27.865 38.134 1.555 430 HB ILE 53 HB ILE 53 26.211 39.031 3.905 431 HG12 ILE 53 HG12 ILE 53 26.927 36.305 2.806 432 HG13 ILE 53 HG13 ILE 53 27.623 37.054 4.239 433 HG21 ILE 53 HG21 ILE 53 24.776 39.294 2.016 434 HG22 ILE 53 HG22 ILE 53 25.292 37.749 1.341 435 HG23 ILE 53 HG23 ILE 53 24.332 37.788 2.820 436 HD11 ILE 53 HD11 ILE 53 24.777 36.161 3.865 437 HD12 ILE 53 HD12 ILE 53 25.998 35.440 4.914 438 HD13 ILE 53 HD13 ILE 53 25.371 37.049 5.267 439 H SER 54 H SER 54 26.594 38.891 -0.118 440 HA SER 54 HA SER 54 25.629 41.630 -0.070 441 HB2 SER 54 HB2 SER 54 28.146 40.984 -1.236 442 HB3 SER 54 HB3 SER 54 27.025 41.348 -2.548 443 HG SER 54 HG SER 54 28.275 43.117 -1.290 444 H GLN 55 H GLN 55 23.944 41.989 -1.459 445 HA GLN 55 HA GLN 55 22.380 39.869 -2.295 446 HB2 GLN 55 HB2 GLN 55 21.100 41.504 -3.593 447 HB3 GLN 55 HB3 GLN 55 21.514 42.138 -2.006 448 HG2 GLN 55 HG2 GLN 55 23.284 43.473 -2.954 449 HG3 GLN 55 HG3 GLN 55 22.995 42.773 -4.547 450 HE21 GLN 55 HE21 GLN 55 20.584 42.972 -5.206 451 HE22 GLN 55 HE22 GLN 55 19.901 44.545 -5.001 452 H LYS 56 H LYS 56 25.112 41.292 -3.836 453 HA LYS 56 HA LYS 56 24.647 40.684 -6.514 454 HB2 LYS 56 HB2 LYS 56 27.318 40.500 -5.117 455 HB3 LYS 56 HB3 LYS 56 27.031 40.820 -6.822 456 HG2 LYS 56 HG2 LYS 56 25.711 42.885 -5.889 457 HG3 LYS 56 HG3 LYS 56 26.738 42.625 -4.477 458 HD2 LYS 56 HD2 LYS 56 28.541 42.444 -6.513 459 HD3 LYS 56 HD3 LYS 56 27.413 43.646 -7.142 460 HE2 LYS 56 HE2 LYS 56 27.656 44.906 -5.018 461 HE3 LYS 56 HE3 LYS 56 28.877 43.742 -4.507 462 HZ1 LYS 56 HZ1 LYS 56 30.267 45.212 -5.445 463 HZ2 LYS 56 HZ2 LYS 56 29.073 45.909 -6.418 464 HZ3 LYS 56 HZ3 LYS 56 29.817 44.468 -6.897 465 H GLU 57 H GLU 57 25.193 38.599 -3.856 466 HA GLU 57 HA GLU 57 25.568 36.329 -5.700 467 HB2 GLU 57 HB2 GLU 57 26.616 36.747 -2.903 468 HB3 GLU 57 HB3 GLU 57 26.579 35.168 -3.674 469 HG2 GLU 57 HG2 GLU 57 28.081 35.885 -5.382 470 HG3 GLU 57 HG3 GLU 57 27.987 37.558 -4.832 471 H TYR 58 H TYR 58 23.748 37.698 -3.100 472 HA TYR 58 HA TYR 58 22.075 35.274 -3.000 473 HB2 TYR 58 HB2 TYR 58 21.718 35.562 -0.749 474 HB3 TYR 58 HB3 TYR 58 23.341 36.231 -0.880 475 HD1 TYR 58 HD2 TYR 58 19.758 37.104 -0.616 476 HD2 TYR 58 HD1 TYR 58 23.765 38.520 -0.409 477 HE1 TYR 58 HE2 TYR 58 18.954 39.221 0.342 478 HE2 TYR 58 HE1 TYR 58 22.972 40.641 0.551 479 HH TYR 58 HH TYR 58 20.397 41.157 1.995 480 H ASP 59 H ASP 59 19.901 35.460 -3.301 481 HA ASP 59 HA ASP 59 18.873 38.154 -3.913 482 HB2 ASP 59 HB2 ASP 59 17.734 35.704 -5.211 483 HB3 ASP 59 HB3 ASP 59 17.726 37.371 -5.777 484 H SER 60 H SER 60 16.202 37.306 -4.339 485 HA SER 60 HA SER 60 15.396 36.936 -1.559 486 HB2 SER 60 HB2 SER 60 13.158 37.299 -3.310 487 HB3 SER 60 HB3 SER 60 13.780 38.395 -2.077 488 HG SER 60 HG SER 60 14.166 39.590 -3.782 489 H SER 61 H SER 61 15.701 35.141 -4.414 490 HA SER 61 HA SER 61 13.581 33.392 -4.425 491 HB2 SER 61 HB2 SER 61 15.931 31.851 -4.901 492 HB3 SER 61 HB3 SER 61 14.807 32.523 -6.083 493 HG SER 61 HG SER 61 16.530 33.625 -6.630 494 H LEU 62 H LEU 62 16.438 33.348 -2.358 495 HA LEU 62 HA LEU 62 15.988 30.845 -1.154 496 HB2 LEU 62 HB2 LEU 62 17.337 31.966 0.766 497 HB3 LEU 62 HB3 LEU 62 18.109 31.630 -0.782 498 HG LEU 62 HG LEU 62 16.927 34.308 -0.577 499 HD11 LEU 62 HD11 LEU 62 18.100 35.175 1.135 500 HD12 LEU 62 HD12 LEU 62 19.488 34.123 0.857 501 HD13 LEU 62 HD13 LEU 62 18.083 33.515 1.732 502 HD21 LEU 62 HD21 LEU 62 18.230 34.052 -2.445 503 HD22 LEU 62 HD22 LEU 62 19.387 32.999 -1.631 504 HD23 LEU 62 HD23 LEU 62 19.409 34.736 -1.325 505 H ALA 63 H ALA 63 15.400 34.085 0.225 506 HA ALA 63 HA ALA 63 13.992 34.787 1.878 507 HB1 ALA 63 HB1 ALA 63 11.806 34.603 1.310 508 HB2 ALA 63 HB2 ALA 63 12.504 33.962 -0.177 509 HB3 ALA 63 HB3 ALA 63 11.902 32.859 1.060 510 H THR 64 H THR 64 14.454 34.305 3.921 511 HA THR 64 HA THR 64 14.755 33.147 5.864 512 HB THR 64 HB THR 64 12.904 31.913 6.661 513 HG1 THR 64 HG1 THR 64 11.524 30.798 5.348 514 HG21 THR 64 HG21 THR 64 11.780 33.794 4.583 515 HG22 THR 64 HG22 THR 64 12.429 34.293 6.145 516 HG23 THR 64 HG23 THR 64 10.994 33.272 6.072 517 H LEU 65 H LEU 65 14.308 30.536 6.619 518 HA LEU 65 HA LEU 65 16.482 29.202 5.254 519 HB2 LEU 65 HB2 LEU 65 15.056 27.669 7.283 520 HB3 LEU 65 HB3 LEU 65 16.768 28.067 7.158 521 HG LEU 65 HG LEU 65 15.882 30.440 7.962 522 HD11 LEU 65 HD11 LEU 65 14.171 29.418 9.870 523 HD12 LEU 65 HD12 LEU 65 13.640 28.647 8.377 524 HD13 LEU 65 HD13 LEU 65 13.718 30.406 8.481 525 HD21 LEU 65 HD21 LEU 65 16.415 29.740 10.264 526 HD22 LEU 65 HD22 LEU 65 17.587 29.148 9.088 527 HD23 LEU 65 HD23 LEU 65 16.367 28.056 9.744 528 H ASP 66 H ASP 66 13.122 29.290 4.988 529 HA ASP 66 HA ASP 66 11.549 27.893 4.062 530 HB2 ASP 66 HB2 ASP 66 13.904 27.834 2.195 531 HB3 ASP 66 HB3 ASP 66 12.430 26.949 1.811 532 H HIS 67 H HIS 67 11.316 26.288 5.626 533 HA HIS 67 HA HIS 67 12.883 23.832 5.204 534 HB2 HIS 67 HB2 HIS 67 11.389 24.855 7.619 535 HB3 HIS 67 HB3 HIS 67 12.009 23.212 7.503 536 HD1 HIS 67 HD1 HIS 67 13.085 24.895 9.733 537 HD2 HIS 67 HD2 HIS 67 14.808 24.832 5.954 538 HE1 HIS 67 HE1 HIS 67 15.462 25.647 10.065 539 H THR 68 H THR 68 11.901 21.971 4.634 540 HA THR 68 HA THR 68 8.978 22.056 4.280 541 HB THR 68 HB THR 68 11.094 20.593 2.701 542 HG1 THR 68 HG1 THR 68 9.047 22.304 1.738 543 HG21 THR 68 HG21 THR 68 8.095 20.270 2.651 544 HG22 THR 68 HG22 THR 68 9.309 19.026 2.951 545 HG23 THR 68 HG23 THR 68 9.156 19.739 1.346 546 H GLU 69 H GLU 69 7.883 20.842 5.665 547 HA GLU 69 HA GLU 69 9.214 18.673 7.074 548 HB2 GLU 69 HB2 GLU 69 6.357 19.552 7.442 549 HB3 GLU 69 HB3 GLU 69 7.389 18.705 8.586 550 HG2 GLU 69 HG2 GLU 69 8.754 20.684 8.867 551 HG3 GLU 69 HG3 GLU 69 7.796 21.539 7.658 552 H ILE 70 H ILE 70 8.862 16.556 6.748 553 HA ILE 70 HA ILE 70 7.307 15.769 4.443 554 HB ILE 70 HB ILE 70 9.007 14.168 6.354 555 HG12 ILE 70 HG12 ILE 70 10.224 13.911 3.998 556 HG13 ILE 70 HG13 ILE 70 9.422 15.447 3.692 557 HG21 ILE 70 HG21 ILE 70 7.720 12.450 5.674 558 HG22 ILE 70 HG22 ILE 70 7.115 13.323 4.267 559 HG23 ILE 70 HG23 ILE 70 8.702 12.555 4.212 560 HD11 ILE 70 HD11 ILE 70 11.246 16.341 4.608 561 HD12 ILE 70 HD12 ILE 70 10.523 15.869 6.147 562 HD13 ILE 70 HD13 ILE 70 11.719 14.827 5.377 563 H LYS 71 H LYS 71 5.216 15.335 4.564 564 HA LYS 71 HA LYS 71 4.142 14.241 7.081 565 HB2 LYS 71 HB2 LYS 71 1.928 15.164 6.182 566 HB3 LYS 71 HB3 LYS 71 3.106 16.327 6.775 567 HG2 LYS 71 HG2 LYS 71 3.834 16.693 4.424 568 HG3 LYS 71 HG3 LYS 71 2.504 15.654 3.904 569 HD2 LYS 71 HD2 LYS 71 1.518 17.718 3.732 570 HD3 LYS 71 HD3 LYS 71 1.076 17.289 5.385 571 HE2 LYS 71 HE2 LYS 71 3.666 18.623 5.171 572 HE3 LYS 71 HE3 LYS 71 2.319 19.610 4.606 573 HZ1 LYS 71 HZ1 LYS 71 2.917 19.750 7.051 574 HZ2 LYS 71 HZ2 LYS 71 2.235 18.211 7.210 575 HZ3 LYS 71 HZ3 LYS 71 1.285 19.506 6.682 576 H ALA 72 H ALA 72 2.657 12.545 6.990 577 HA ALA 72 HA ALA 72 3.077 10.639 4.954 578 HB1 ALA 72 HB1 ALA 72 2.335 9.360 6.609 579 HB2 ALA 72 HB2 ALA 72 1.707 10.764 7.473 580 HB3 ALA 72 HB3 ALA 72 0.705 9.947 6.275 581 HA PRO 73 HA PRO 73 0.172 11.840 1.872 582 HB2 PRO 73 HB2 PRO 73 -0.217 9.432 0.679 583 HB3 PRO 73 HB3 PRO 73 1.267 10.374 0.482 584 HG2 PRO 73 HG2 PRO 73 0.723 8.050 2.290 585 HG3 PRO 73 HG3 PRO 73 2.153 8.384 1.297 586 HD2 PRO 73 HD2 PRO 73 2.081 8.874 3.959 587 HD3 PRO 73 HD3 PRO 73 3.027 9.866 2.831 588 H PHE 74 H PHE 74 -0.561 9.044 3.907 589 HA PHE 74 HA PHE 74 -3.212 9.943 4.403 590 HB2 PHE 74 HB2 PHE 74 -4.068 7.581 3.437 591 HB3 PHE 74 HB3 PHE 74 -4.096 9.068 2.496 592 HD1 PHE 74 HD2 PHE 74 -1.558 6.461 3.346 593 HD2 PHE 74 HD1 PHE 74 -3.422 8.815 0.329 594 HE1 PHE 74 HE2 PHE 74 -0.130 5.405 1.644 595 HE2 PHE 74 HE1 PHE 74 -1.996 7.762 -1.378 596 HZ PHE 74 HZ PHE 74 -0.347 6.055 -0.722 597 H ASP 75 H ASP 75 -4.297 8.685 5.996 598 HA ASP 75 HA ASP 75 -2.716 7.660 8.010 599 HB2 ASP 75 HB2 ASP 75 -4.701 6.977 9.089 600 HB3 ASP 75 HB3 ASP 75 -5.177 8.355 8.099 601 H GLY 76 H GLY 76 -2.130 5.609 8.701 602 HA2 GLY 76 HA2 GLY 76 -2.901 3.156 7.753 603 HA3 GLY 76 HA3 GLY 76 -1.678 3.697 6.613 604 H THR 77 H THR 77 -0.106 2.230 7.109 605 HA THR 77 HA THR 77 0.904 2.264 9.878 606 HB THR 77 HB THR 77 1.357 0.103 7.812 607 HG1 THR 77 HG1 THR 77 -0.615 0.447 9.802 608 HG21 THR 77 HG21 THR 77 2.152 0.488 10.669 609 HG22 THR 77 HG22 THR 77 3.099 -0.128 9.313 610 HG23 THR 77 HG23 THR 77 1.864 -1.140 10.060 611 H ILE 78 H ILE 78 3.045 2.658 10.260 612 HA ILE 78 HA ILE 78 4.668 3.418 7.918 613 HB ILE 78 HB ILE 78 4.048 5.352 9.311 614 HG12 ILE 78 HG12 ILE 78 6.921 5.111 9.942 615 HG13 ILE 78 HG13 ILE 78 6.495 4.763 8.269 616 HG21 ILE 78 HG21 ILE 78 4.099 5.322 11.535 617 HG22 ILE 78 HG22 ILE 78 4.473 3.602 11.431 618 HG23 ILE 78 HG23 ILE 78 5.778 4.783 11.552 619 HD11 ILE 78 HD11 ILE 78 5.121 7.040 8.636 620 HD12 ILE 78 HD12 ILE 78 6.470 7.305 9.742 621 HD13 ILE 78 HD13 ILE 78 6.779 6.976 8.037 622 H GLY 79 H GLY 79 6.662 2.561 7.708 623 HA2 GLY 79 HA2 GLY 79 7.392 0.407 9.500 624 HA3 GLY 79 HA3 GLY 79 8.213 0.854 8.011 625 H ASP 80 H ASP 80 10.281 0.893 8.774 626 HA ASP 80 HA ASP 80 10.871 2.608 11.078 627 HB2 ASP 80 HB2 ASP 80 11.791 0.119 10.506 628 HB3 ASP 80 HB3 ASP 80 13.068 1.103 9.795 629 H ALA 81 H ALA 81 13.447 3.341 10.589 630 HA ALA 81 HA ALA 81 13.090 5.311 8.460 631 HB1 ALA 81 HB1 ALA 81 15.530 5.632 9.945 632 HB2 ALA 81 HB2 ALA 81 14.145 6.716 9.817 633 HB3 ALA 81 HB3 ALA 81 14.160 5.445 11.041 634 H LEU 82 H LEU 82 14.888 5.817 7.027 635 HA LEU 82 HA LEU 82 16.550 3.454 6.442 636 HB2 LEU 82 HB2 LEU 82 15.140 5.354 4.593 637 HB3 LEU 82 HB3 LEU 82 16.479 4.347 4.051 638 HG LEU 82 HG LEU 82 13.872 3.325 5.176 639 HD11 LEU 82 HD11 LEU 82 13.415 4.269 3.053 640 HD12 LEU 82 HD12 LEU 82 13.556 2.528 2.811 641 HD13 LEU 82 HD13 LEU 82 14.887 3.593 2.356 642 HD21 LEU 82 HD21 LEU 82 15.659 1.791 5.644 643 HD22 LEU 82 HD22 LEU 82 16.260 1.916 3.990 644 HD23 LEU 82 HD23 LEU 82 14.702 1.150 4.308 645 H VAL 83 H VAL 83 16.338 6.985 6.251 646 HA VAL 83 HA VAL 83 19.257 7.119 5.955 647 HB VAL 83 HB VAL 83 19.007 9.373 5.211 648 HG11 VAL 83 HG11 VAL 83 16.677 8.286 3.776 649 HG12 VAL 83 HG12 VAL 83 18.216 8.888 3.156 650 HG13 VAL 83 HG13 VAL 83 18.106 7.252 3.807 651 HG21 VAL 83 HG21 VAL 83 17.438 10.499 6.396 652 HG22 VAL 83 HG22 VAL 83 16.442 10.112 4.993 653 HG23 VAL 83 HG23 VAL 83 16.333 9.125 6.450 654 H ASN 84 H ASN 84 19.969 9.434 7.000 655 HA ASN 84 HA ASN 84 19.098 9.323 9.814 656 HB2 ASN 84 HB2 ASN 84 21.863 9.680 8.660 657 HB3 ASN 84 HB3 ASN 84 21.474 10.111 10.323 658 HD21 ASN 84 HD21 ASN 84 21.510 7.461 8.012 659 HD22 ASN 84 HD22 ASN 84 21.687 6.202 9.182 660 H ILE 85 H ILE 85 20.031 11.439 10.956 661 HA ILE 85 HA ILE 85 18.777 13.646 9.535 662 HB ILE 85 HB ILE 85 19.810 13.430 12.364 663 HG12 ILE 85 HG12 ILE 85 17.009 13.535 11.222 664 HG13 ILE 85 HG13 ILE 85 17.785 12.128 11.939 665 HG21 ILE 85 HG21 ILE 85 18.394 15.715 10.999 666 HG22 ILE 85 HG22 ILE 85 18.694 15.601 12.733 667 HG23 ILE 85 HG23 ILE 85 20.048 15.712 11.608 668 HD11 ILE 85 HD11 ILE 85 17.876 13.287 14.090 669 HD12 ILE 85 HD12 ILE 85 17.069 14.677 13.365 670 HD13 ILE 85 HD13 ILE 85 16.226 13.133 13.488 671 H GLY 86 H GLY 86 19.775 15.633 9.116 672 HA2 GLY 86 HA2 GLY 86 21.509 17.103 8.717 673 HA3 GLY 86 HA3 GLY 86 22.532 16.105 9.741 674 H ASP 87 H ASP 87 20.953 14.404 7.251 675 HA ASP 87 HA ASP 87 23.452 14.373 5.692 676 HB2 ASP 87 HB2 ASP 87 21.925 12.253 6.798 677 HB3 ASP 87 HB3 ASP 87 21.752 12.158 5.047 678 H TYR 88 H TYR 88 23.408 14.924 3.596 679 HA TYR 88 HA TYR 88 21.228 16.285 2.495 680 HB2 TYR 88 HB2 TYR 88 23.601 16.561 1.786 681 HB3 TYR 88 HB3 TYR 88 23.512 14.995 0.989 682 HD1 TYR 88 HD1 TYR 88 22.171 14.705 -1.040 683 HD2 TYR 88 HD2 TYR 88 22.546 18.508 0.830 684 HE1 TYR 88 HE1 TYR 88 21.314 15.785 -3.078 685 HE2 TYR 88 HE2 TYR 88 21.690 19.599 -1.201 686 HH TYR 88 HH TYR 88 21.021 17.750 -4.137 687 H VAL 89 H VAL 89 19.602 15.725 1.126 688 HA VAL 89 HA VAL 89 19.464 12.966 0.151 689 HB VAL 89 HB VAL 89 16.928 13.120 0.797 690 HG11 VAL 89 HG11 VAL 89 17.340 11.709 2.594 691 HG12 VAL 89 HG12 VAL 89 18.815 11.566 1.635 692 HG13 VAL 89 HG13 VAL 89 18.793 12.584 3.076 693 HG21 VAL 89 HG21 VAL 89 17.078 15.425 1.649 694 HG22 VAL 89 HG22 VAL 89 16.513 14.293 2.879 695 HG23 VAL 89 HG23 VAL 89 18.179 14.871 2.911 696 H SER 90 H SER 90 17.684 12.674 -1.444 697 HA SER 90 HA SER 90 17.705 14.874 -3.303 698 HB2 SER 90 HB2 SER 90 17.095 13.343 -4.898 699 HB3 SER 90 HB3 SER 90 17.753 12.229 -3.700 700 HG SER 90 HG SER 90 15.664 11.821 -2.982 701 H ALA 91 H ALA 91 15.311 14.766 -4.575 702 HA ALA 91 HA ALA 91 13.598 16.166 -2.708 703 HB1 ALA 91 HB1 ALA 91 13.453 17.347 -4.618 704 HB2 ALA 91 HB2 ALA 91 13.840 15.957 -5.632 705 HB3 ALA 91 HB3 ALA 91 12.200 16.173 -5.020 706 H SER 92 H SER 92 12.409 14.096 -5.294 707 HA SER 92 HA SER 92 10.614 12.817 -3.368 708 HB2 SER 92 HB2 SER 92 9.396 13.719 -5.184 709 HB3 SER 92 HB3 SER 92 10.551 13.110 -6.369 710 HG SER 92 HG SER 92 8.483 11.794 -5.051 711 H THR 93 H THR 93 13.553 12.226 -4.684 712 HA THR 93 HA THR 93 13.158 9.358 -5.086 713 HB THR 93 HB THR 93 15.735 10.910 -5.365 714 HG1 THR 93 HG1 THR 93 15.050 11.551 -7.265 715 HG21 THR 93 HG21 THR 93 15.851 8.845 -7.117 716 HG22 THR 93 HG22 THR 93 14.894 8.124 -5.823 717 HG23 THR 93 HG23 THR 93 16.491 8.784 -5.476 718 H THR 94 H THR 94 13.840 11.434 -2.576 719 HA THR 94 HA THR 94 15.728 9.735 -1.186 720 HB THR 94 HB THR 94 15.881 12.158 -0.887 721 HG1 THR 94 HG1 THR 94 14.983 11.286 1.620 722 HG21 THR 94 HG21 THR 94 14.195 13.507 -0.095 723 HG22 THR 94 HG22 THR 94 13.382 12.183 0.742 724 HG23 THR 94 HG23 THR 94 13.257 12.327 -1.010 725 H GLU 95 H GLU 95 14.858 7.816 -0.602 726 HA GLU 95 HA GLU 95 12.219 7.763 0.653 727 HB2 GLU 95 HB2 GLU 95 12.663 5.229 0.590 728 HB3 GLU 95 HB3 GLU 95 12.381 6.055 -0.936 729 HG2 GLU 95 HG2 GLU 95 14.563 5.847 -1.614 730 HG3 GLU 95 HG3 GLU 95 15.175 5.709 0.033 731 H LEU 96 H LEU 96 12.347 8.362 2.739 732 HA LEU 96 HA LEU 96 14.483 7.226 4.403 733 HB2 LEU 96 HB2 LEU 96 13.414 8.943 6.075 734 HB3 LEU 96 HB3 LEU 96 14.549 9.463 4.831 735 HG LEU 96 HG LEU 96 12.555 10.946 5.153 736 HD11 LEU 96 HD11 LEU 96 13.823 10.079 2.796 737 HD12 LEU 96 HD12 LEU 96 13.001 11.612 3.088 738 HD13 LEU 96 HD13 LEU 96 12.108 10.247 2.419 739 HD21 LEU 96 HD21 LEU 96 10.953 8.950 3.623 740 HD22 LEU 96 HD22 LEU 96 10.415 10.285 4.642 741 HD23 LEU 96 HD23 LEU 96 11.051 8.814 5.380 742 H VAL 97 H VAL 97 11.110 7.076 3.783 743 HA VAL 97 HA VAL 97 10.779 4.876 5.577 744 HB VAL 97 HB VAL 97 10.566 6.846 7.123 745 HG11 VAL 97 HG11 VAL 97 9.150 8.006 5.137 746 HG12 VAL 97 HG12 VAL 97 7.842 7.406 6.159 747 HG13 VAL 97 HG13 VAL 97 9.057 8.494 6.829 748 HG21 VAL 97 HG21 VAL 97 9.001 5.776 8.400 749 HG22 VAL 97 HG22 VAL 97 7.907 5.517 7.042 750 HG23 VAL 97 HG23 VAL 97 9.342 4.508 7.223 751 H ARG 98 H ARG 98 8.971 3.659 5.105 752 HA ARG 98 HA ARG 98 7.302 4.659 2.890 753 HB2 ARG 98 HB2 ARG 98 7.175 2.428 2.013 754 HB3 ARG 98 HB3 ARG 98 8.871 2.815 2.274 755 HG2 ARG 98 HG2 ARG 98 7.328 1.358 4.376 756 HG3 ARG 98 HG3 ARG 98 7.960 0.496 2.972 757 HD2 ARG 98 HD2 ARG 98 10.160 1.837 3.649 758 HD3 ARG 98 HD3 ARG 98 9.394 1.766 5.235 759 HE ARG 98 HE ARG 98 9.822 -0.487 5.310 760 HH11 ARG 98 HH11 ARG 98 10.315 0.681 2.067 761 HH12 ARG 98 HH12 ARG 98 11.027 -0.795 1.505 762 HH21 ARG 98 HH21 ARG 98 10.758 -2.435 4.581 763 HH22 ARG 98 HH22 ARG 98 11.278 -2.568 2.935 764 H VAL 99 H VAL 99 5.108 3.887 2.813 765 HA VAL 99 HA VAL 99 4.055 3.245 5.489 766 HB VAL 99 HB VAL 99 2.889 4.857 3.233 767 HG11 VAL 99 HG11 VAL 99 0.887 4.942 4.969 768 HG12 VAL 99 HG12 VAL 99 0.975 3.711 3.706 769 HG13 VAL 99 HG13 VAL 99 1.480 3.326 5.352 770 HG21 VAL 99 HG21 VAL 99 3.323 6.611 4.534 771 HG22 VAL 99 HG22 VAL 99 2.565 5.848 5.931 772 HG23 VAL 99 HG23 VAL 99 4.258 5.523 5.560 773 H THR 100 H THR 100 2.731 1.527 5.763 774 HA THR 100 HA THR 100 2.024 -0.033 3.362 775 HB THR 100 HB THR 100 2.451 -2.076 4.480 776 HG1 THR 100 HG1 THR 100 3.227 -1.906 6.775 777 HG21 THR 100 HG21 THR 100 4.651 -0.135 5.200 778 HG22 THR 100 HG22 THR 100 4.477 -1.000 3.672 779 HG23 THR 100 HG23 THR 100 4.815 -1.890 5.157 780 H ASN 101 H ASN 101 0.226 -1.642 3.838 781 HA ASN 101 HA ASN 101 -1.965 -2.000 4.338 782 HB2 ASN 101 HB2 ASN 101 -0.656 -1.333 6.824 783 HB3 ASN 101 HB3 ASN 101 -2.327 -0.775 6.843 784 HD21 ASN 101 HD21 ASN 101 -3.801 -2.188 7.436 785 HD22 ASN 101 HD22 ASN 101 -3.623 -3.906 7.429 786 H LEU 102 H LEU 102 -2.992 -0.732 2.847 787 HA LEU 102 HA LEU 102 -4.249 1.673 3.871 788 HB2 LEU 102 HB2 LEU 102 -1.983 1.827 2.196 789 HB3 LEU 102 HB3 LEU 102 -3.379 2.263 1.211 790 HG LEU 102 HG LEU 102 -2.494 4.281 2.065 791 HD11 LEU 102 HD11 LEU 102 -4.992 3.908 2.215 792 HD12 LEU 102 HD12 LEU 102 -4.332 5.198 3.219 793 HD13 LEU 102 HD13 LEU 102 -4.753 3.647 3.943 794 HD21 LEU 102 HD21 LEU 102 -1.252 3.023 3.941 795 HD22 LEU 102 HD22 LEU 102 -2.709 3.313 4.893 796 HD23 LEU 102 HD23 LEU 102 -1.791 4.675 4.246 797 H ASN 103 H ASN 103 -6.098 2.324 2.660 798 HA ASN 103 HA ASN 103 -7.517 0.144 1.508 799 HB2 ASN 103 HB2 ASN 103 -8.085 2.994 2.122 800 HB3 ASN 103 HB3 ASN 103 -9.084 2.236 0.885 801 HD21 ASN 103 HD21 ASN 103 -8.221 2.297 4.237 802 HD22 ASN 103 HD22 ASN 103 -9.503 1.283 4.798 803 HA PRO 104 HA PRO 104 -6.662 0.528 -2.778 804 HB2 PRO 104 HB2 PRO 104 -9.083 0.010 -3.890 805 HB3 PRO 104 HB3 PRO 104 -8.095 -1.236 -3.118 806 HG2 PRO 104 HG2 PRO 104 -10.431 0.281 -2.019 807 HG3 PRO 104 HG3 PRO 104 -10.053 -1.446 -1.880 808 HD2 PRO 104 HD2 PRO 104 -9.559 0.318 0.114 809 HD3 PRO 104 HD3 PRO 104 -8.540 -1.106 -0.175 810 H ILE 105 H ILE 105 -6.150 2.718 -3.014 811 HA ILE 105 HA ILE 105 -8.349 4.573 -3.566 812 HB ILE 105 HB ILE 105 -5.408 5.207 -3.319 813 HG12 ILE 105 HG12 ILE 105 -6.203 4.283 -1.214 814 HG13 ILE 105 HG13 ILE 105 -5.982 6.020 -1.046 815 HG21 ILE 105 HG21 ILE 105 -6.698 7.470 -2.670 816 HG22 ILE 105 HG22 ILE 105 -6.185 7.080 -4.311 817 HG23 ILE 105 HG23 ILE 105 -7.851 6.784 -3.814 818 HD11 ILE 105 HD11 ILE 105 -8.050 6.173 -0.294 819 HD12 ILE 105 HD12 ILE 105 -8.645 5.610 -1.856 820 HD13 ILE 105 HD13 ILE 105 -8.305 4.450 -0.572 821 H TYR 106 H TYR 106 -8.450 5.788 -5.472 822 HA TYR 106 HA TYR 106 -6.570 5.481 -7.593 823 HB2 TYR 106 HB2 TYR 106 -8.362 4.422 -9.140 824 HB3 TYR 106 HB3 TYR 106 -7.453 3.372 -8.060 825 HD1 TYR 106 HD1 TYR 106 -8.525 2.363 -6.112 826 HD2 TYR 106 HD2 TYR 106 -10.722 4.823 -8.799 827 HE1 TYR 106 HE1 TYR 106 -10.628 1.519 -5.155 828 HE2 TYR 106 HE2 TYR 106 -12.831 3.987 -7.849 829 HH TYR 106 HH TYR 106 -13.397 2.884 -5.309 830 H ALA 107 H ALA 107 -7.981 7.570 -6.134 831 HA ALA 107 HA ALA 107 -8.549 9.314 -8.262 832 HB1 ALA 107 HB1 ALA 107 -10.927 8.053 -6.936 833 HB2 ALA 107 HB2 ALA 107 -11.017 9.652 -7.676 834 HB3 ALA 107 HB3 ALA 107 -10.593 8.249 -8.657 835 H ASP 108 H ASP 108 -9.949 11.288 -7.280 836 HA ASP 108 HA ASP 108 -9.954 13.036 -5.824 837 HB2 ASP 108 HB2 ASP 108 -10.982 11.335 -4.315 838 HB3 ASP 108 HB3 ASP 108 -9.372 10.953 -3.709 839 H GLY 109 H GLY 109 -8.558 14.331 -4.359 840 HA2 GLY 109 HA2 GLY 109 -5.913 13.638 -3.739 841 HA3 GLY 109 HA3 GLY 109 -5.913 14.414 -5.316 842 H SER 110 H SER 110 -6.554 16.602 -5.486 843 HA SER 110 HA SER 110 -6.027 18.110 -3.052 844 HB2 SER 110 HB2 SER 110 -5.987 20.075 -4.635 845 HB3 SER 110 HB3 SER 110 -4.786 18.830 -4.976 846 HG SER 110 HG SER 110 -5.627 18.902 -6.904 847 H HIS 111 H HIS 111 -8.515 17.938 -5.585 848 HA HIS 111 HA HIS 111 -10.729 18.464 -5.582 849 HB2 HIS 111 HB2 HIS 111 -10.305 17.233 -3.181 850 HB3 HIS 111 HB3 HIS 111 -10.984 18.774 -2.665 851 HD1 HIS 111 HD1 HIS 111 -11.835 15.871 -4.954 852 HD2 HIS 111 HD2 HIS 111 -13.696 18.920 -2.832 853 HE1 HIS 111 HE1 HIS 111 -14.302 15.436 -5.177 854 H HIS 112 H HIS 112 -12.349 20.137 -4.396 855 HA HIS 112 HA HIS 112 -10.981 22.635 -3.788 856 HB2 HIS 112 HB2 HIS 112 -12.392 23.851 -5.486 857 HB3 HIS 112 HB3 HIS 112 -11.130 22.829 -6.165 858 HD1 HIS 112 HD1 HIS 112 -14.745 23.405 -6.222 859 HD2 HIS 112 HD2 HIS 112 -12.137 20.351 -7.284 860 HE1 HIS 112 HE1 HIS 112 -16.072 21.876 -7.714 861 H HIS 113 H HIS 113 -12.557 24.359 -3.155 862 HA HIS 113 HA HIS 113 -15.027 23.216 -2.034 863 HB2 HIS 113 HB2 HIS 113 -14.696 24.516 0.009 864 HB3 HIS 113 HB3 HIS 113 -13.336 23.430 -0.255 865 HD1 HIS 113 HD1 HIS 113 -11.045 24.478 -0.600 866 HD2 HIS 113 HD2 HIS 113 -14.110 27.273 -0.365 867 HE1 HIS 113 HE1 HIS 113 -9.905 26.710 -0.402 868 H HIS 114 H HIS 114 -16.167 25.392 -0.933 869 HA HIS 114 HA HIS 114 -16.316 27.359 -3.121 870 HB2 HIS 114 HB2 HIS 114 -18.371 25.593 -2.142 871 HB3 HIS 114 HB3 HIS 114 -18.842 27.269 -1.874 872 HD1 HIS 114 HD1 HIS 114 -18.748 24.695 -4.429 873 HD2 HIS 114 HD2 HIS 114 -18.773 28.848 -4.352 874 HE1 HIS 114 HE1 HIS 114 -19.415 25.407 -6.747 875 H HIS 115 H HIS 115 -17.235 29.455 -2.465 876 HA HIS 115 HA HIS 115 -17.546 30.195 0.237 877 HB2 HIS 115 HB2 HIS 115 -14.848 29.923 -0.561 878 HB3 HIS 115 HB3 HIS 115 -15.170 31.652 -0.462 879 HD1 HIS 115 HD1 HIS 115 -15.998 32.544 1.898 880 HD2 HIS 115 HD2 HIS 115 -14.584 28.638 1.852 881 HE1 HIS 115 HE1 HIS 115 -15.577 31.953 4.306 882 H HIS 116 H HIS 116 -17.424 32.671 0.468 883 HA HIS 116 HA HIS 116 -18.450 33.864 -2.023 884 HB2 HIS 116 HB2 HIS 116 -19.722 33.626 0.419 885 HB3 HIS 116 HB3 HIS 116 -19.112 35.279 0.449 886 HD1 HIS 116 HD1 HIS 116 -20.290 36.982 -1.003 887 HD2 HIS 116 HD2 HIS 116 -21.587 33.094 -1.684 888 HE1 HIS 116 HE1 HIS 116 -22.318 37.198 -2.474 889 H2 B6D 117 H2 B6D 117 15.211 35.688 7.242 890 H1 B6D 117 H1 B6D 117 17.355 37.890 7.084 891 H3 B6D 117 H3 B6D 117 14.973 38.664 6.575 892 HN2 B6D 117 HN2 B6D 117 15.549 37.106 4.762 893 H5 B6D 117 H5 B6D 117 16.092 39.197 8.910 894 H8 B6D 117 H22 B6D 117 16.015 35.892 2.800 895 H8A B6D 117 H21 B6D 117 16.680 34.246 2.935 896 H8B B6D 117 H23 B6D 117 17.745 35.662 3.158 897 H4 B6D 117 H4 B6D 117 13.936 37.025 8.939 898 HN4 B6D 117 HN4 B6D 117 12.498 38.762 9.110 899 H9 B6D 117 H43 B6D 117 12.705 41.600 10.039 900 H9A B6D 117 H41 B6D 117 12.646 42.276 8.390 901 H9B B6D 117 H42 B6D 117 11.592 40.907 8.824 902 H6 B6D 117 H62 B6D 117 16.370 38.875 11.213 903 H6A B6D 117 H63 B6D 117 14.609 38.706 11.077 904 H6B B6D 117 H61 B6D 117 15.630 37.264 11.190 905 H1 A2G 118 H1 A2G 118 12.733 39.413 6.140 906 H2 A2G 118 H2 A2G 118 10.696 38.882 4.805 907 H3 A2G 118 H3 A2G 118 11.593 35.994 5.263 908 H4 A2G 118 H4 A2G 118 11.714 35.869 2.842 909 H5 A2G 118 H5 A2G 118 13.666 36.587 3.899 910 H61 A2G 118 H61 A2G 118 13.244 37.854 1.269 911 H62 A2G 118 H62 A2G 118 14.460 36.693 1.821 912 H81 A2G 118 H81 A2G 118 9.306 38.043 8.950 913 H82 A2G 118 H82 A2G 118 7.662 38.345 8.333 914 H83 A2G 118 H83 A2G 118 8.702 39.719 8.783 915 HO3 A2G 118 HO3 A2G 118 9.647 35.383 4.800 916 HO6 A2G 118 HO6 A2G 118 15.465 38.682 1.481 917 HN2 A2G 118 HN2 A2G 118 10.898 37.622 7.469 918 H1 A2G 119 H1 A2G 119 11.621 36.845 0.663 919 H2 A2G 119 H2 A2G 119 10.373 38.371 -0.863 920 H3 A2G 119 H3 A2G 119 9.506 39.690 1.757 921 H4 A2G 119 H4 A2G 119 7.253 39.136 1.046 922 H5 A2G 119 H5 A2G 119 8.333 37.489 2.294 923 H61 A2G 119 H61 A2G 119 7.083 35.739 0.187 924 H62 A2G 119 H62 A2G 119 6.147 36.755 1.291 925 H81 A2G 119 H81 A2G 119 14.035 41.054 -1.810 926 H82 A2G 119 H82 A2G 119 14.313 40.238 -0.251 927 H83 A2G 119 H83 A2G 119 13.459 41.801 -0.289 928 HO3 A2G 119 HO3 A2G 119 8.712 41.316 0.566 929 HO6 A2G 119 HO6 A2G 119 6.870 35.602 3.019 930 HN2 A2G 119 HN2 A2G 119 12.310 39.536 1.021 931 H1 A2G 120 H1 A2G 120 5.674 38.315 -0.461 932 H2 A2G 120 H2 A2G 120 5.036 37.907 -2.836 933 H3 A2G 120 H3 A2G 120 8.064 37.942 -3.274 934 H4 A2G 120 H4 A2G 120 7.616 39.807 -4.760 935 H5 A2G 120 H5 A2G 120 7.984 40.380 -2.530 936 H61 A2G 120 H61 A2G 120 5.673 42.233 -2.861 937 H62 A2G 120 H62 A2G 120 6.972 42.239 -4.063 938 H81 A2G 120 H81 A2G 120 4.576 33.788 -0.433 939 H82 A2G 120 H82 A2G 120 6.301 33.903 -0.869 940 H83 A2G 120 H83 A2G 120 5.084 33.623 -2.140 941 HO6 A2G 120 HO6 A2G 120 7.210 42.698 -1.263 942 HN2 A2G 120 HN2 A2G 120 6.868 35.741 -2.509 943 H1 A2G 121 H1 A2G 121 6.278 41.172 -6.001 944 H2 A2G 121 H2 A2G 121 4.063 41.682 -7.027 945 H3 A2G 121 H3 A2G 121 3.056 39.638 -4.985 946 H4 A2G 121 H4 A2G 121 2.289 38.395 -6.923 947 H5 A2G 121 H5 A2G 121 4.469 37.924 -6.241 948 H61 A2G 121 H61 A2G 121 5.778 37.300 -8.358 949 H62 A2G 121 H62 A2G 121 4.372 37.931 -9.229 950 H81 A2G 121 H81 A2G 121 2.714 44.596 -3.897 951 H82 A2G 121 H82 A2G 121 4.052 45.602 -4.509 952 H83 A2G 121 H83 A2G 121 4.392 44.284 -3.359 953 HO3 A2G 121 HO3 A2G 121 0.998 40.192 -5.799 954 HO6 A2G 121 HO6 A2G 121 3.216 36.452 -7.534 955 HN2 A2G 121 HN2 A2G 121 4.023 41.994 -4.079 956 H1 A2G 122 H1 A2G 122 2.173 38.088 -9.417 957 H2 A2G 122 H2 A2G 122 1.331 39.339 -11.403 958 H3 A2G 122 H3 A2G 122 2.328 41.771 -9.838 959 H4 A2G 122 H4 A2G 122 0.019 42.513 -9.929 960 H5 A2G 122 H5 A2G 122 0.561 41.178 -8.096 961 H61 A2G 122 H61 A2G 122 -2.180 40.323 -9.008 962 H62 A2G 122 H62 A2G 122 -1.733 41.658 -7.935 963 H81 A2G 122 H81 A2G 122 5.940 38.661 -11.327 964 H82 A2G 122 H82 A2G 122 6.682 40.230 -10.926 965 H83 A2G 122 H83 A2G 122 5.867 40.015 -12.495 966 HO3 A2G 122 HO3 A2G 122 1.717 42.932 -11.700 967 HO6 A2G 122 HO6 A2G 122 -2.033 38.994 -7.340 968 HN2 A2G 122 HN2 A2G 122 3.438 38.920 -12.038 969 H2 BGC 123 H2 BGC 123 6.832 35.720 -6.851 970 H3 BGC 123 H3 BGC 123 9.804 35.574 -7.493 971 H4 BGC 123 H4 BGC 123 7.835 37.327 -9.056 972 H5 BGC 123 H5 BGC 123 10.029 38.190 -7.099 973 H6C1 BGC 123 H61 BGC 123 9.133 39.648 -9.327 974 H6C2 BGC 123 H62 BGC 123 8.125 40.262 -8.003 975 H1 BGC 123 H1 BGC 123 8.955 37.106 -5.136 976 HB BGC 123 HO2 BGC 123 7.472 34.152 -5.614 977 HC BGC 123 HO3 BGC 123 8.823 34.792 -9.477 978 HD BGC 123 HO4 BGC 123 10.695 37.103 -9.078 979 H6 BGC 123 HO6 BGC 123 9.966 40.833 -6.879 Start of MODEL 19 1 H1 ASP 1 H ASP 1 -0.499 2.328 0.522 2 HA ASP 1 HA ASP 1 1.904 0.754 -0.124 3 HB2 ASP 1 HB2 ASP 1 -0.156 1.411 -2.209 4 HB3 ASP 1 HB3 ASP 1 1.087 0.163 -2.236 5 H VAL 2 H VAL 2 2.193 3.250 0.860 6 HA VAL 2 HA VAL 2 3.047 4.762 -1.512 7 HB VAL 2 HB VAL 2 1.768 6.016 0.922 8 HG11 VAL 2 HG11 VAL 2 1.823 8.068 -0.517 9 HG12 VAL 2 HG12 VAL 2 3.405 7.492 0.013 10 HG13 VAL 2 HG13 VAL 2 2.856 7.179 -1.635 11 HG21 VAL 2 HG21 VAL 2 0.679 5.117 -1.671 12 HG22 VAL 2 HG22 VAL 2 -0.114 5.288 -0.105 13 HG23 VAL 2 HG23 VAL 2 0.160 6.708 -1.115 14 H ILE 3 H ILE 3 4.956 5.902 -1.299 15 HA ILE 3 HA ILE 3 6.514 5.271 1.113 16 HB ILE 3 HB ILE 3 7.527 6.092 -1.611 17 HG12 ILE 3 HG12 ILE 3 7.327 3.384 -0.284 18 HG13 ILE 3 HG13 ILE 3 6.531 3.901 -1.766 19 HG21 ILE 3 HG21 ILE 3 8.972 6.691 0.322 20 HG22 ILE 3 HG22 ILE 3 9.047 4.980 0.741 21 HG23 ILE 3 HG23 ILE 3 9.714 5.542 -0.792 22 HD11 ILE 3 HD11 ILE 3 8.820 4.177 -2.764 23 HD12 ILE 3 HD12 ILE 3 9.451 3.369 -1.329 24 HD13 ILE 3 HD13 ILE 3 8.334 2.521 -2.398 25 H ILE 4 H ILE 4 7.201 6.845 2.420 26 HA ILE 4 HA ILE 4 6.377 9.553 1.933 27 HB ILE 4 HB ILE 4 8.054 8.432 4.180 28 HG12 ILE 4 HG12 ILE 4 5.151 9.197 4.342 29 HG13 ILE 4 HG13 ILE 4 5.632 7.589 3.811 30 HG21 ILE 4 HG21 ILE 4 7.054 11.135 3.542 31 HG22 ILE 4 HG22 ILE 4 6.886 10.612 5.217 32 HG23 ILE 4 HG23 ILE 4 8.477 10.637 4.457 33 HD11 ILE 4 HD11 ILE 4 5.123 8.237 6.363 34 HD12 ILE 4 HD12 ILE 4 6.225 6.945 5.881 35 HD13 ILE 4 HD13 ILE 4 6.861 8.533 6.311 36 H LYS 5 H LYS 5 7.494 11.017 0.845 37 HA LYS 5 HA LYS 5 10.435 10.843 0.847 38 HB2 LYS 5 HB2 LYS 5 8.540 11.113 -1.435 39 HB3 LYS 5 HB3 LYS 5 10.052 12.008 -1.520 40 HG2 LYS 5 HG2 LYS 5 11.195 10.184 -2.049 41 HG3 LYS 5 HG3 LYS 5 10.500 9.276 -0.704 42 HD2 LYS 5 HD2 LYS 5 8.454 8.929 -2.092 43 HD3 LYS 5 HD3 LYS 5 9.306 9.679 -3.444 44 HE2 LYS 5 HE2 LYS 5 11.133 7.860 -2.777 45 HE3 LYS 5 HE3 LYS 5 9.699 7.025 -2.178 46 HZ1 LYS 5 HZ1 LYS 5 9.824 8.136 -4.916 47 HZ2 LYS 5 HZ2 LYS 5 8.761 6.972 -4.302 48 HZ3 LYS 5 HZ3 LYS 5 10.386 6.579 -4.561 49 HA PRO 6 HA PRO 6 10.558 15.073 2.004 50 HB2 PRO 6 HB2 PRO 6 12.672 16.009 0.581 51 HB3 PRO 6 HB3 PRO 6 12.849 14.922 1.962 52 HG2 PRO 6 HG2 PRO 6 12.887 14.289 -0.963 53 HG3 PRO 6 HG3 PRO 6 13.940 13.681 0.327 54 HD2 PRO 6 HD2 PRO 6 11.867 12.245 -0.658 55 HD3 PRO 6 HD3 PRO 6 12.390 12.129 1.034 56 H GLN 7 H GLN 7 10.238 14.273 -1.358 57 HA GLN 7 HA GLN 7 8.954 15.264 -2.978 58 HB2 GLN 7 HB2 GLN 7 7.315 16.652 -2.325 59 HB3 GLN 7 HB3 GLN 7 7.944 16.420 -0.699 60 HG2 GLN 7 HG2 GLN 7 9.461 18.404 -1.175 61 HG3 GLN 7 HG3 GLN 7 8.441 18.699 -2.582 62 HE21 GLN 7 HE21 GLN 7 7.301 20.444 -2.079 63 HE22 GLN 7 HE22 GLN 7 6.348 20.643 -0.652 64 H VAL 8 H VAL 8 11.345 17.134 -1.239 65 HA VAL 8 HA VAL 8 12.289 18.208 -3.806 66 HB VAL 8 HB VAL 8 12.844 20.349 -2.745 67 HG11 VAL 8 HG11 VAL 8 10.201 19.374 -3.308 68 HG12 VAL 8 HG12 VAL 8 10.140 20.634 -2.073 69 HG13 VAL 8 HG13 VAL 8 10.901 20.960 -3.631 70 HG21 VAL 8 HG21 VAL 8 13.127 19.767 -0.465 71 HG22 VAL 8 HG22 VAL 8 11.744 20.860 -0.530 72 HG23 VAL 8 HG23 VAL 8 11.488 19.124 -0.353 73 H SER 9 H SER 9 14.544 19.324 -3.352 74 HA SER 9 HA SER 9 16.163 17.270 -2.044 75 HB2 SER 9 HB2 SER 9 17.767 19.249 -3.346 76 HB3 SER 9 HB3 SER 9 17.536 17.557 -3.789 77 HG SER 9 HG SER 9 16.194 18.140 -5.307 78 H GLY 10 H GLY 10 17.091 17.598 -0.134 79 HA2 GLY 10 HA2 GLY 10 18.132 20.145 0.661 80 HA3 GLY 10 HA3 GLY 10 16.648 19.745 1.516 81 H VAL 11 H VAL 11 17.475 19.439 3.533 82 HA VAL 11 HA VAL 11 19.111 17.040 3.887 83 HB VAL 11 HB VAL 11 19.751 19.654 5.260 84 HG11 VAL 11 HG11 VAL 11 21.862 17.857 5.537 85 HG12 VAL 11 HG12 VAL 11 20.722 18.359 6.787 86 HG13 VAL 11 HG13 VAL 11 20.409 16.904 5.839 87 HG21 VAL 11 HG21 VAL 11 20.487 19.857 3.018 88 HG22 VAL 11 HG22 VAL 11 21.910 19.436 3.969 89 HG23 VAL 11 HG23 VAL 11 21.105 18.206 2.996 90 H ILE 12 H ILE 12 18.426 15.796 5.520 91 HA ILE 12 HA ILE 12 16.015 16.265 6.834 92 HB ILE 12 HB ILE 12 18.264 14.417 7.638 93 HG12 ILE 12 HG12 ILE 12 17.200 14.115 5.357 94 HG13 ILE 12 HG13 ILE 12 17.115 12.719 6.425 95 HG21 ILE 12 HG21 ILE 12 16.146 13.212 8.666 96 HG22 ILE 12 HG22 ILE 12 17.047 14.431 9.567 97 HG23 ILE 12 HG23 ILE 12 15.547 14.869 8.750 98 HD11 ILE 12 HD11 ILE 12 14.877 12.786 6.539 99 HD12 ILE 12 HD12 ILE 12 14.823 14.549 6.559 100 HD13 ILE 12 HD13 ILE 12 15.032 13.690 5.033 101 H VAL 13 H VAL 13 15.446 17.197 8.719 102 HA VAL 13 HA VAL 13 17.597 18.433 10.308 103 HB VAL 13 HB VAL 13 14.762 19.371 10.462 104 HG11 VAL 13 HG11 VAL 13 16.784 21.401 10.420 105 HG12 VAL 13 HG12 VAL 13 15.667 20.965 11.716 106 HG13 VAL 13 HG13 VAL 13 17.223 20.145 11.576 107 HG21 VAL 13 HG21 VAL 13 14.815 19.667 8.217 108 HG22 VAL 13 HG22 VAL 13 15.736 21.103 8.663 109 HG23 VAL 13 HG23 VAL 13 16.577 19.643 8.144 110 H ASN 14 H ASN 14 14.526 16.703 10.478 111 HA ASN 14 HA ASN 14 15.273 15.476 12.956 112 HB2 ASN 14 HB2 ASN 14 14.254 17.849 13.457 113 HB3 ASN 14 HB3 ASN 14 12.723 17.035 13.144 114 HD21 ASN 14 HD21 ASN 14 11.893 16.980 15.149 115 HD22 ASN 14 HD22 ASN 14 12.621 16.169 16.489 116 H LYS 15 H LYS 15 13.278 14.180 13.825 117 HA LYS 15 HA LYS 15 11.579 13.270 11.619 118 HB2 LYS 15 HB2 LYS 15 12.091 10.876 12.603 119 HB3 LYS 15 HB3 LYS 15 13.129 11.592 11.379 120 HG2 LYS 15 HG2 LYS 15 14.715 12.277 13.069 121 HG3 LYS 15 HG3 LYS 15 13.652 11.677 14.344 122 HD2 LYS 15 HD2 LYS 15 15.489 10.113 13.826 123 HD3 LYS 15 HD3 LYS 15 13.897 9.410 13.530 124 HE2 LYS 15 HE2 LYS 15 14.122 9.812 11.156 125 HE3 LYS 15 HE3 LYS 15 15.654 10.644 11.412 126 HZ1 LYS 15 HZ1 LYS 15 16.004 8.380 10.664 127 HZ2 LYS 15 HZ2 LYS 15 15.123 7.776 11.975 128 HZ3 LYS 15 HZ3 LYS 15 16.592 8.572 12.238 129 H LEU 16 H LEU 16 9.584 13.569 12.355 130 HA LEU 16 HA LEU 16 9.019 13.118 15.196 131 HB2 LEU 16 HB2 LEU 16 6.961 14.210 13.363 132 HB3 LEU 16 HB3 LEU 16 7.307 14.614 15.042 133 HG LEU 16 HG LEU 16 8.930 15.515 12.663 134 HD11 LEU 16 HD11 LEU 16 7.536 17.509 14.278 135 HD12 LEU 16 HD12 LEU 16 6.461 16.427 13.394 136 HD13 LEU 16 HD13 LEU 16 7.679 17.362 12.527 137 HD21 LEU 16 HD21 LEU 16 9.386 17.105 14.933 138 HD22 LEU 16 HD22 LEU 16 10.510 15.998 14.144 139 HD23 LEU 16 HD23 LEU 16 9.495 15.430 15.471 140 H PHE 17 H PHE 17 9.422 10.786 13.911 141 HA PHE 17 HA PHE 17 6.730 9.635 13.876 142 HB2 PHE 17 HB2 PHE 17 6.880 8.703 11.804 143 HB3 PHE 17 HB3 PHE 17 7.947 10.073 11.519 144 HD1 PHE 17 HD2 PHE 17 10.471 9.658 12.063 145 HD2 PHE 17 HD1 PHE 17 7.624 6.581 11.324 146 HE1 PHE 17 HE2 PHE 17 12.296 8.115 11.479 147 HE2 PHE 17 HE1 PHE 17 9.444 5.032 10.740 148 HZ PHE 17 HZ PHE 17 11.783 5.799 10.815 149 H LYS 18 H LYS 18 6.949 7.130 13.810 150 HA LYS 18 HA LYS 18 9.236 6.301 15.467 151 HB2 LYS 18 HB2 LYS 18 6.308 5.933 15.968 152 HB3 LYS 18 HB3 LYS 18 7.437 4.708 16.530 153 HG2 LYS 18 HG2 LYS 18 8.195 7.450 17.216 154 HG3 LYS 18 HG3 LYS 18 6.683 6.899 17.943 155 HD2 LYS 18 HD2 LYS 18 7.925 4.838 18.689 156 HD3 LYS 18 HD3 LYS 18 9.411 5.640 18.173 157 HE2 LYS 18 HE2 LYS 18 7.502 6.961 20.072 158 HE3 LYS 18 HE3 LYS 18 8.713 5.816 20.645 159 HZ1 LYS 18 HZ1 LYS 18 10.445 7.195 19.956 160 HZ2 LYS 18 HZ2 LYS 18 9.331 8.261 20.651 161 HZ3 LYS 18 HZ3 LYS 18 9.445 8.138 18.967 162 H ALA 19 H ALA 19 9.602 3.950 15.467 163 HA ALA 19 HA ALA 19 9.259 2.892 12.785 164 HB1 ALA 19 HB1 ALA 19 10.610 1.178 14.726 165 HB2 ALA 19 HB2 ALA 19 11.154 1.761 13.153 166 HB3 ALA 19 HB3 ALA 19 11.322 2.785 14.579 167 H GLY 20 H GLY 20 7.345 1.951 12.400 168 HA2 GLY 20 HA2 GLY 20 5.930 0.078 12.482 169 HA3 GLY 20 HA3 GLY 20 6.588 -0.323 14.061 170 H ASP 21 H ASP 21 5.577 2.927 13.478 171 HA ASP 21 HA ASP 21 3.360 2.533 15.353 172 HB2 ASP 21 HB2 ASP 21 5.281 4.649 14.878 173 HB3 ASP 21 HB3 ASP 21 3.634 5.272 14.846 174 H LYS 22 H LYS 22 1.562 4.327 14.913 175 HA LYS 22 HA LYS 22 0.484 3.653 12.295 176 HB2 LYS 22 HB2 LYS 22 -0.605 4.419 14.900 177 HB3 LYS 22 HB3 LYS 22 -1.397 5.234 13.557 178 HG2 LYS 22 HG2 LYS 22 -1.247 2.620 12.706 179 HG3 LYS 22 HG3 LYS 22 -1.581 2.473 14.433 180 HD2 LYS 22 HD2 LYS 22 -3.645 3.403 14.249 181 HD3 LYS 22 HD3 LYS 22 -3.160 4.483 12.939 182 HE2 LYS 22 HE2 LYS 22 -3.143 2.542 11.405 183 HE3 LYS 22 HE3 LYS 22 -3.727 1.527 12.722 184 HZ1 LYS 22 HZ1 LYS 22 -5.156 3.880 11.609 185 HZ2 LYS 22 HZ2 LYS 22 -5.720 2.869 12.842 186 HZ3 LYS 22 HZ3 LYS 22 -5.526 2.264 11.275 187 H VAL 23 H VAL 23 -0.211 5.169 10.773 188 HA VAL 23 HA VAL 23 0.870 7.888 11.140 189 HB VAL 23 HB VAL 23 0.837 6.159 8.673 190 HG11 VAL 23 HG11 VAL 23 0.052 8.262 7.902 191 HG12 VAL 23 HG12 VAL 23 1.225 9.136 8.889 192 HG13 VAL 23 HG13 VAL 23 1.768 8.185 7.507 193 HG21 VAL 23 HG21 VAL 23 3.273 6.942 8.678 194 HG22 VAL 23 HG22 VAL 23 2.968 7.470 10.334 195 HG23 VAL 23 HG23 VAL 23 2.792 5.768 9.904 196 H LYS 24 H LYS 24 -0.294 9.615 10.225 197 HA LYS 24 HA LYS 24 -3.132 9.005 9.755 198 HB2 LYS 24 HB2 LYS 24 -1.769 11.008 11.323 199 HB3 LYS 24 HB3 LYS 24 -2.826 11.773 10.144 200 HG2 LYS 24 HG2 LYS 24 -4.140 9.561 11.458 201 HG3 LYS 24 HG3 LYS 24 -3.546 10.752 12.619 202 HD2 LYS 24 HD2 LYS 24 -5.489 11.797 12.168 203 HD3 LYS 24 HD3 LYS 24 -4.629 12.373 10.738 204 HE2 LYS 24 HE2 LYS 24 -6.699 11.531 9.967 205 HE3 LYS 24 HE3 LYS 24 -5.490 10.318 9.548 206 HZ1 LYS 24 HZ1 LYS 24 -6.178 8.957 11.341 207 HZ2 LYS 24 HZ2 LYS 24 -7.587 9.428 10.532 208 HZ3 LYS 24 HZ3 LYS 24 -7.162 10.170 11.993 209 H LYS 25 H LYS 25 -4.068 11.172 8.527 210 HA LYS 25 HA LYS 25 -2.784 11.032 5.909 211 HB2 LYS 25 HB2 LYS 25 -5.496 11.919 6.860 212 HB3 LYS 25 HB3 LYS 25 -4.925 12.317 5.244 213 HG2 LYS 25 HG2 LYS 25 -4.754 10.005 4.662 214 HG3 LYS 25 HG3 LYS 25 -5.089 9.513 6.324 215 HD2 LYS 25 HD2 LYS 25 -7.335 10.224 6.187 216 HD3 LYS 25 HD3 LYS 25 -7.036 11.135 4.705 217 HE2 LYS 25 HE2 LYS 25 -7.451 9.349 3.443 218 HE3 LYS 25 HE3 LYS 25 -6.328 8.358 4.373 219 HZ1 LYS 25 HZ1 LYS 25 -8.646 8.779 5.898 220 HZ2 LYS 25 HZ2 LYS 25 -8.038 7.323 5.290 221 HZ3 LYS 25 HZ3 LYS 25 -9.114 8.243 4.363 222 H GLY 26 H GLY 26 -0.985 12.392 6.399 223 HA2 GLY 26 HA2 GLY 26 -0.201 14.553 5.691 224 HA3 GLY 26 HA3 GLY 26 -1.699 15.246 6.296 225 H GLN 27 H GLN 27 -0.276 12.898 8.323 226 HA GLN 27 HA GLN 27 0.249 14.887 10.339 227 HB2 GLN 27 HB2 GLN 27 -0.709 12.482 10.632 228 HB3 GLN 27 HB3 GLN 27 0.980 11.991 10.607 229 HG2 GLN 27 HG2 GLN 27 0.429 14.215 12.414 230 HG3 GLN 27 HG3 GLN 27 -0.428 12.729 12.822 231 HE21 GLN 27 HE21 GLN 27 1.088 10.728 12.546 232 HE22 GLN 27 HE22 GLN 27 2.618 10.875 13.334 233 H THR 28 H THR 28 2.181 15.613 11.057 234 HA THR 28 HA THR 28 4.424 15.525 9.385 235 HB THR 28 HB THR 28 4.841 16.087 12.279 236 HG1 THR 28 HG1 THR 28 3.841 18.246 11.712 237 HG21 THR 28 HG21 THR 28 5.699 17.257 9.652 238 HG22 THR 28 HG22 THR 28 6.693 16.613 10.958 239 HG23 THR 28 HG23 THR 28 5.878 18.165 11.152 240 H LEU 29 H LEU 29 6.114 14.181 9.220 241 HA LEU 29 HA LEU 29 6.523 12.175 11.332 242 HB2 LEU 29 HB2 LEU 29 6.653 11.681 8.361 243 HB3 LEU 29 HB3 LEU 29 7.023 10.504 9.620 244 HG LEU 29 HG LEU 29 4.303 11.751 9.452 245 HD11 LEU 29 HD11 LEU 29 4.291 10.934 7.321 246 HD12 LEU 29 HD12 LEU 29 3.822 9.482 8.203 247 HD13 LEU 29 HD13 LEU 29 5.490 9.689 7.668 248 HD21 LEU 29 HD21 LEU 29 4.984 10.445 11.446 249 HD22 LEU 29 HD22 LEU 29 5.242 9.047 10.403 250 HD23 LEU 29 HD23 LEU 29 3.626 9.734 10.575 251 H PHE 30 H PHE 30 7.857 14.243 8.873 252 HA PHE 30 HA PHE 30 10.480 13.996 10.120 253 HB2 PHE 30 HB2 PHE 30 10.050 13.635 7.147 254 HB3 PHE 30 HB3 PHE 30 11.615 13.755 7.943 255 HD1 PHE 30 HD1 PHE 30 8.606 11.671 7.546 256 HD2 PHE 30 HD2 PHE 30 12.584 11.892 9.043 257 HE1 PHE 30 HE1 PHE 30 8.607 9.235 7.894 258 HE2 PHE 30 HE2 PHE 30 12.592 9.457 9.393 259 HZ PHE 30 HZ PHE 30 10.602 8.125 8.817 260 H ILE 31 H ILE 31 12.031 15.635 8.979 261 HA ILE 31 HA ILE 31 10.644 18.004 8.010 262 HB ILE 31 HB ILE 31 12.455 18.194 10.417 263 HG12 ILE 31 HG12 ILE 31 9.434 18.286 10.263 264 HG13 ILE 31 HG13 ILE 31 10.403 17.057 11.068 265 HG21 ILE 31 HG21 ILE 31 11.728 20.093 8.548 266 HG22 ILE 31 HG22 ILE 31 10.623 20.383 9.891 267 HG23 ILE 31 HG23 ILE 31 12.366 20.407 10.161 268 HD11 ILE 31 HD11 ILE 31 11.197 18.720 12.659 269 HD12 ILE 31 HD12 ILE 31 10.240 19.959 11.845 270 HD13 ILE 31 HD13 ILE 31 9.437 18.616 12.659 271 H ILE 32 H ILE 32 11.795 18.994 6.479 272 HA ILE 32 HA ILE 32 14.714 18.742 6.482 273 HB ILE 32 HB ILE 32 12.928 18.046 4.153 274 HG12 ILE 32 HG12 ILE 32 15.189 16.338 5.044 275 HG13 ILE 32 HG13 ILE 32 13.788 16.412 6.107 276 HG21 ILE 32 HG21 ILE 32 14.772 19.480 3.413 277 HG22 ILE 32 HG22 ILE 32 15.925 18.382 4.172 278 HG23 ILE 32 HG23 ILE 32 14.946 17.832 2.811 279 HD11 ILE 32 HD11 ILE 32 14.104 15.154 3.473 280 HD12 ILE 32 HD12 ILE 32 13.086 14.701 4.840 281 HD13 ILE 32 HD13 ILE 32 12.573 15.985 3.746 282 H GLU 33 H GLU 33 15.811 20.448 5.545 283 HA GLU 33 HA GLU 33 14.137 22.761 4.821 284 HB2 GLU 33 HB2 GLU 33 15.586 24.162 5.906 285 HB3 GLU 33 HB3 GLU 33 15.813 22.712 6.874 286 HG2 GLU 33 HG2 GLU 33 17.729 22.208 5.199 287 HG3 GLU 33 HG3 GLU 33 17.625 23.931 4.843 288 H GLN 34 H GLN 34 14.780 24.098 3.094 289 HA GLN 34 HA GLN 34 16.990 23.268 1.414 290 HB2 GLN 34 HB2 GLN 34 15.139 23.404 -0.543 291 HB3 GLN 34 HB3 GLN 34 15.645 21.899 0.214 292 HG2 GLN 34 HG2 GLN 34 13.428 23.358 1.510 293 HG3 GLN 34 HG3 GLN 34 13.092 22.616 -0.053 294 HE21 GLN 34 HE21 GLN 34 11.733 21.735 2.087 295 HE22 GLN 34 HE22 GLN 34 12.272 20.161 2.552 296 H ASP 35 H ASP 35 16.787 24.683 -0.750 297 HA ASP 35 HA ASP 35 16.598 27.435 0.208 298 HB2 ASP 35 HB2 ASP 35 18.247 26.021 -1.710 299 HB3 ASP 35 HB3 ASP 35 17.529 27.460 -2.431 300 H GLN 36 H GLN 36 14.281 25.654 -0.609 301 HA GLN 36 HA GLN 36 12.995 27.641 -2.331 302 HB2 GLN 36 HB2 GLN 36 13.633 25.931 -3.889 303 HB3 GLN 36 HB3 GLN 36 13.030 24.664 -2.828 304 HG2 GLN 36 HG2 GLN 36 10.864 26.380 -3.298 305 HG3 GLN 36 HG3 GLN 36 11.657 26.143 -4.855 306 HE21 GLN 36 HE21 GLN 36 11.240 23.992 -2.073 307 HE22 GLN 36 HE22 GLN 36 10.425 22.741 -2.940 308 H ALA 37 H ALA 37 11.695 28.412 -0.728 309 HA ALA 37 HA ALA 37 10.024 26.499 0.743 310 HB1 ALA 37 HB1 ALA 37 10.190 27.857 2.496 311 HB2 ALA 37 HB2 ALA 37 11.404 28.754 1.582 312 HB3 ALA 37 HB3 ALA 37 9.715 29.263 1.542 313 H SER 38 H SER 38 9.872 29.262 -1.426 314 HA SER 38 HA SER 38 7.432 28.534 -2.570 315 HB2 SER 38 HB2 SER 38 6.113 29.104 -0.773 316 HB3 SER 38 HB3 SER 38 7.244 30.325 -0.191 317 HG SER 38 HG SER 38 5.073 30.666 -1.690 318 H LYS 39 H LYS 39 7.234 29.565 -4.464 319 HA LYS 39 HA LYS 39 9.206 31.286 -5.418 320 HB2 LYS 39 HB2 LYS 39 6.510 30.443 -6.373 321 HB3 LYS 39 HB3 LYS 39 7.267 31.821 -7.160 322 HG2 LYS 39 HG2 LYS 39 7.623 29.490 -8.164 323 HG3 LYS 39 HG3 LYS 39 9.025 30.549 -7.984 324 HD2 LYS 39 HD2 LYS 39 9.599 29.402 -5.885 325 HD3 LYS 39 HD3 LYS 39 8.218 28.324 -6.108 326 HE2 LYS 39 HE2 LYS 39 9.892 28.414 -8.467 327 HE3 LYS 39 HE3 LYS 39 10.814 27.943 -7.040 328 HZ1 LYS 39 HZ1 LYS 39 8.729 26.404 -6.689 329 HZ2 LYS 39 HZ2 LYS 39 10.019 25.928 -7.674 330 HZ3 LYS 39 HZ3 LYS 39 8.610 26.556 -8.370 331 H ASP 40 H ASP 40 6.302 31.958 -3.659 332 HA ASP 40 HA ASP 40 6.541 34.828 -4.201 333 HB2 ASP 40 HB2 ASP 40 4.328 33.110 -3.819 334 HB3 ASP 40 HB3 ASP 40 4.371 34.191 -2.429 335 H PHE 41 H PHE 41 8.302 33.118 -2.425 336 HA PHE 41 HA PHE 41 8.308 34.966 -0.175 337 HB2 PHE 41 HB2 PHE 41 7.052 32.602 0.207 338 HB3 PHE 41 HB3 PHE 41 8.701 32.139 0.608 339 HD1 PHE 41 HD1 PHE 41 6.500 35.086 1.260 340 HD2 PHE 41 HD2 PHE 41 9.149 32.158 2.849 341 HE1 PHE 41 HE1 PHE 41 6.220 36.054 3.505 342 HE2 PHE 41 HE2 PHE 41 8.872 33.120 5.095 343 HZ PHE 41 HZ PHE 41 7.405 35.070 5.426 344 H ASN 42 H ASN 42 10.265 34.070 1.357 345 HA ASN 42 HA ASN 42 12.539 34.104 1.524 346 HB2 ASN 42 HB2 ASN 42 13.571 32.183 0.768 347 HB3 ASN 42 HB3 ASN 42 11.881 31.701 0.662 348 HD21 ASN 42 HD21 ASN 42 14.743 32.529 -1.088 349 H ARG 43 H ARG 43 13.756 35.772 0.958 350 HA ARG 43 HA ARG 43 13.628 36.853 -1.725 351 HB2 ARG 43 HB2 ARG 43 14.432 37.801 0.913 352 HB3 ARG 43 HB3 ARG 43 15.558 38.288 -0.347 353 HG2 ARG 43 HG2 ARG 43 12.895 38.720 -1.270 354 HG3 ARG 43 HG3 ARG 43 13.083 39.448 0.326 355 HD2 ARG 43 HD2 ARG 43 14.907 40.775 -0.395 356 HD3 ARG 43 HD3 ARG 43 15.062 39.868 -1.899 357 HE ARG 43 HE ARG 43 13.404 41.161 -2.810 358 HH11 ARG 43 HH11 ARG 43 13.416 41.577 0.646 359 HH12 ARG 43 HH12 ARG 43 12.277 42.883 0.623 360 HH21 ARG 43 HH21 ARG 43 11.904 42.878 -2.854 361 HH22 ARG 43 HH22 ARG 43 11.417 43.621 -1.368 362 H SER 44 H SER 44 15.163 34.297 -0.651 363 HA SER 44 HA SER 44 17.028 33.131 -1.231 364 HB2 SER 44 HB2 SER 44 18.123 34.307 -3.451 365 HB3 SER 44 HB3 SER 44 16.798 33.143 -3.481 366 HG SER 44 HG SER 44 16.341 35.084 -4.650 367 H LYS 45 H LYS 45 19.101 33.089 -0.564 368 HA LYS 45 HA LYS 45 20.286 35.642 0.256 369 HB2 LYS 45 HB2 LYS 45 20.703 32.792 1.120 370 HB3 LYS 45 HB3 LYS 45 21.885 34.037 1.504 371 HG2 LYS 45 HG2 LYS 45 20.433 33.772 3.376 372 HG3 LYS 45 HG3 LYS 45 20.077 35.327 2.618 373 HD2 LYS 45 HD2 LYS 45 18.037 34.098 3.257 374 HD3 LYS 45 HD3 LYS 45 18.136 34.384 1.518 375 HE2 LYS 45 HE2 LYS 45 18.754 32.138 1.092 376 HE3 LYS 45 HE3 LYS 45 19.059 31.824 2.800 377 HZ1 LYS 45 HZ1 LYS 45 16.871 31.555 3.238 378 HZ2 LYS 45 HZ2 LYS 45 16.825 31.110 1.607 379 HZ3 LYS 45 HZ3 LYS 45 16.365 32.670 2.070 380 H ALA 46 H ALA 46 22.010 32.650 -0.438 381 HA ALA 46 HA ALA 46 23.898 32.272 -1.669 382 HB1 ALA 46 HB1 ALA 46 21.842 32.606 -3.340 383 HB2 ALA 46 HB2 ALA 46 22.880 33.915 -3.908 384 HB3 ALA 46 HB3 ALA 46 23.479 32.256 -3.896 385 H LEU 47 H LEU 47 24.631 34.078 0.043 386 HA LEU 47 HA LEU 47 26.240 35.961 -1.522 387 HB2 LEU 47 HB2 LEU 47 25.043 36.825 1.080 388 HB3 LEU 47 HB3 LEU 47 25.725 37.811 -0.211 389 HG LEU 47 HG LEU 47 23.513 36.539 -1.351 390 HD11 LEU 47 HD11 LEU 47 22.803 35.958 0.949 391 HD12 LEU 47 HD12 LEU 47 21.680 37.037 0.122 392 HD13 LEU 47 HD13 LEU 47 22.781 37.678 1.341 393 HD21 LEU 47 HD21 LEU 47 22.723 38.724 -1.674 394 HD22 LEU 47 HD22 LEU 47 24.479 38.882 -1.623 395 HD23 LEU 47 HD23 LEU 47 23.513 39.319 -0.213 396 H PHE 48 H PHE 48 28.088 36.828 -0.278 397 HA PHE 48 HA PHE 48 28.860 35.470 2.139 398 HB2 PHE 48 HB2 PHE 48 30.991 34.576 1.083 399 HB3 PHE 48 HB3 PHE 48 29.510 33.711 0.684 400 HD1 PHE 48 HD2 PHE 48 28.500 33.946 -1.543 401 HD2 PHE 48 HD1 PHE 48 32.237 35.741 -0.578 402 HE1 PHE 48 HE2 PHE 48 28.972 34.244 -3.939 403 HE2 PHE 48 HE1 PHE 48 32.714 36.044 -2.973 404 HZ PHE 48 HZ PHE 48 31.081 35.294 -4.656 405 H SER 49 H SER 49 29.856 37.475 -0.597 406 HA SER 49 HA SER 49 31.165 39.333 -0.744 407 HB2 SER 49 HB2 SER 49 29.411 39.734 1.364 408 HB3 SER 49 HB3 SER 49 30.979 40.148 2.056 409 HG SER 49 HG SER 49 30.549 41.990 1.100 410 H GLN 50 H GLN 50 32.915 40.621 0.845 411 HA GLN 50 HA GLN 50 35.213 39.099 0.750 412 HB2 GLN 50 HB2 GLN 50 34.454 41.593 2.207 413 HB3 GLN 50 HB3 GLN 50 35.993 40.831 2.584 414 HG2 GLN 50 HG2 GLN 50 36.644 42.281 0.956 415 HG3 GLN 50 HG3 GLN 50 36.284 40.858 -0.021 416 HE21 GLN 50 HE21 GLN 50 36.025 42.308 -1.796 417 HE22 GLN 50 HE22 GLN 50 34.549 43.182 -2.000 418 H SER 51 H SER 51 33.412 39.957 3.710 419 HA SER 51 HA SER 51 33.633 37.357 4.821 420 HB2 SER 51 HB2 SER 51 36.013 38.429 5.022 421 HB3 SER 51 HB3 SER 51 35.289 39.342 6.344 422 HG SER 51 HG SER 51 35.570 36.537 6.096 423 H ALA 52 H ALA 52 31.378 37.944 4.959 424 HA ALA 52 HA ALA 52 30.740 39.871 7.084 425 HB1 ALA 52 HB1 ALA 52 28.365 39.542 6.182 426 HB2 ALA 52 HB2 ALA 52 29.512 40.430 5.176 427 HB3 ALA 52 HB3 ALA 52 29.137 38.746 4.811 428 H ILE 53 H ILE 53 30.302 36.522 6.089 429 HA ILE 53 HA ILE 53 29.692 35.816 8.850 430 HB ILE 53 HB ILE 53 27.926 34.891 6.583 431 HG12 ILE 53 HG12 ILE 53 27.357 36.856 8.813 432 HG13 ILE 53 HG13 ILE 53 27.527 37.254 7.107 433 HG21 ILE 53 HG21 ILE 53 27.578 34.505 9.549 434 HG22 ILE 53 HG22 ILE 53 26.623 33.790 8.251 435 HG23 ILE 53 HG23 ILE 53 28.302 33.304 8.479 436 HD11 ILE 53 HD11 ILE 53 25.373 36.888 6.799 437 HD12 ILE 53 HD12 ILE 53 25.551 35.229 7.371 438 HD13 ILE 53 HD13 ILE 53 25.199 36.523 8.515 439 H SER 54 H SER 54 31.296 34.440 9.266 440 HA SER 54 HA SER 54 32.558 32.828 7.298 441 HB2 SER 54 HB2 SER 54 32.742 32.217 10.229 442 HB3 SER 54 HB3 SER 54 33.996 32.133 8.993 443 HG SER 54 HG SER 54 34.326 34.249 9.153 444 H GLN 55 H GLN 55 30.840 31.654 6.340 445 HA GLN 55 HA GLN 55 28.991 30.048 7.629 446 HB2 GLN 55 HB2 GLN 55 30.335 29.453 4.989 447 HB3 GLN 55 HB3 GLN 55 28.784 28.828 5.535 448 HG2 GLN 55 HG2 GLN 55 27.870 31.094 5.530 449 HG3 GLN 55 HG3 GLN 55 29.422 31.714 4.971 450 HE21 GLN 55 HE21 GLN 55 27.279 32.298 3.499 451 HE22 GLN 55 HE22 GLN 55 27.259 31.386 2.032 452 H LYS 56 H LYS 56 32.379 29.599 7.252 453 HA LYS 56 HA LYS 56 32.761 26.892 7.303 454 HB2 LYS 56 HB2 LYS 56 34.802 27.371 8.700 455 HB3 LYS 56 HB3 LYS 56 34.659 28.330 7.234 456 HG2 LYS 56 HG2 LYS 56 33.716 30.176 8.617 457 HG3 LYS 56 HG3 LYS 56 34.079 29.214 10.051 458 HD2 LYS 56 HD2 LYS 56 36.187 29.876 8.016 459 HD3 LYS 56 HD3 LYS 56 35.792 30.980 9.335 460 HE2 LYS 56 HE2 LYS 56 36.208 29.070 10.916 461 HE3 LYS 56 HE3 LYS 56 36.827 28.158 9.539 462 HZ1 LYS 56 HZ1 LYS 56 38.533 29.803 9.222 463 HZ2 LYS 56 HZ2 LYS 56 38.587 29.256 10.822 464 HZ3 LYS 56 HZ3 LYS 56 37.908 30.764 10.466 465 H GLU 57 H GLU 57 31.744 28.965 9.958 466 HA GLU 57 HA GLU 57 30.787 26.638 11.401 467 HB2 GLU 57 HB2 GLU 57 32.767 28.539 12.670 468 HB3 GLU 57 HB3 GLU 57 31.928 27.230 13.490 469 HG2 GLU 57 HG2 GLU 57 33.044 25.620 11.992 470 HG3 GLU 57 HG3 GLU 57 33.941 26.955 11.272 471 H TYR 58 H TYR 58 29.885 29.244 10.102 472 HA TYR 58 HA TYR 58 28.977 31.074 11.974 473 HB2 TYR 58 HB2 TYR 58 27.566 31.911 10.307 474 HB3 TYR 58 HB3 TYR 58 28.858 31.142 9.393 475 HD1 TYR 58 HD1 TYR 58 28.078 28.301 9.557 476 HD2 TYR 58 HD2 TYR 58 25.700 31.770 8.917 477 HE1 TYR 58 HE1 TYR 58 26.421 26.935 8.357 478 HE2 TYR 58 HE2 TYR 58 24.035 30.415 7.717 479 HH TYR 58 HH TYR 58 24.213 26.935 7.634 480 H ASP 59 H ASP 59 26.794 31.423 12.796 481 HA ASP 59 HA ASP 59 25.704 28.958 13.880 482 HB2 ASP 59 HB2 ASP 59 25.945 31.628 14.799 483 HB3 ASP 59 HB3 ASP 59 24.223 31.277 14.689 484 H SER 60 H SER 60 23.297 28.736 14.017 485 HA SER 60 HA SER 60 22.187 29.058 11.357 486 HB2 SER 60 HB2 SER 60 21.883 27.180 13.474 487 HB3 SER 60 HB3 SER 60 20.302 27.899 13.166 488 HG SER 60 HG SER 60 21.616 26.077 11.720 489 H SER 61 H SER 61 21.712 30.310 14.589 490 HA SER 61 HA SER 61 19.201 31.436 14.403 491 HB2 SER 61 HB2 SER 61 20.466 33.330 15.858 492 HB3 SER 61 HB3 SER 61 20.000 31.759 16.513 493 HG SER 61 HG SER 61 22.526 32.698 15.744 494 H LEU 62 H LEU 62 22.246 32.597 13.092 495 HA LEU 62 HA LEU 62 21.076 35.086 12.181 496 HB2 LEU 62 HB2 LEU 62 23.233 35.676 11.444 497 HB3 LEU 62 HB3 LEU 62 23.448 34.841 12.981 498 HG LEU 62 HG LEU 62 23.691 32.879 10.981 499 HD11 LEU 62 HD11 LEU 62 24.914 33.691 9.281 500 HD12 LEU 62 HD12 LEU 62 25.761 34.851 10.304 501 HD13 LEU 62 HD13 LEU 62 24.144 35.220 9.705 502 HD21 LEU 62 HD21 LEU 62 25.645 34.299 12.774 503 HD22 LEU 62 HD22 LEU 62 26.093 32.926 11.762 504 HD23 LEU 62 HD23 LEU 62 24.875 32.732 13.023 505 H ALA 63 H ALA 63 21.656 31.907 10.967 506 HA ALA 63 HA ALA 63 21.511 32.606 8.184 507 HB1 ALA 63 HB1 ALA 63 21.878 30.389 7.739 508 HB2 ALA 63 HB2 ALA 63 22.579 30.510 9.353 509 HB3 ALA 63 HB3 ALA 63 20.961 29.840 9.142 510 H THR 64 H THR 64 19.761 32.786 6.927 511 HA THR 64 HA THR 64 17.144 32.208 8.140 512 HB THR 64 HB THR 64 17.220 33.826 5.673 513 HG1 THR 64 HG1 THR 64 17.744 35.674 7.272 514 HG21 THR 64 HG21 THR 64 15.572 35.150 6.913 515 HG22 THR 64 HG22 THR 64 15.884 34.189 8.359 516 HG23 THR 64 HG23 THR 64 15.160 33.436 6.938 517 H LEU 65 H LEU 65 16.633 30.166 7.555 518 HA LEU 65 HA LEU 65 16.245 29.663 4.711 519 HB2 LEU 65 HB2 LEU 65 17.766 27.787 6.515 520 HB3 LEU 65 HB3 LEU 65 17.263 27.434 4.863 521 HG LEU 65 HG LEU 65 19.061 29.761 5.434 522 HD11 LEU 65 HD11 LEU 65 19.926 27.598 6.484 523 HD12 LEU 65 HD12 LEU 65 20.992 28.448 5.366 524 HD13 LEU 65 HD13 LEU 65 20.111 27.017 4.829 525 HD21 LEU 65 HD21 LEU 65 18.304 28.081 3.087 526 HD22 LEU 65 HD22 LEU 65 19.881 28.869 3.117 527 HD23 LEU 65 HD23 LEU 65 18.410 29.836 3.230 528 H ASP 66 H ASP 66 14.120 29.321 4.656 529 HA ASP 66 HA ASP 66 12.547 28.391 6.781 530 HB2 ASP 66 HB2 ASP 66 12.144 28.823 3.869 531 HB3 ASP 66 HB3 ASP 66 10.984 27.781 4.687 532 H HIS 67 H HIS 67 11.310 26.388 6.899 533 HA HIS 67 HA HIS 67 12.835 24.092 5.854 534 HB2 HIS 67 HB2 HIS 67 11.235 24.167 8.419 535 HB3 HIS 67 HB3 HIS 67 12.283 22.867 7.859 536 HD1 HIS 67 HD1 HIS 67 12.759 24.129 10.601 537 HD2 HIS 67 HD2 HIS 67 14.629 25.401 7.116 538 HE1 HIS 67 HE1 HIS 67 14.864 25.284 11.351 539 H THR 68 H THR 68 11.405 22.019 5.973 540 HA THR 68 HA THR 68 8.664 22.623 5.106 541 HB THR 68 HB THR 68 10.548 20.767 3.638 542 HG1 THR 68 HG1 THR 68 9.639 23.393 3.174 543 HG21 THR 68 HG21 THR 68 8.644 19.753 3.022 544 HG22 THR 68 HG22 THR 68 8.349 21.193 2.047 545 HG23 THR 68 HG23 THR 68 7.642 21.058 3.656 546 H GLU 69 H GLU 69 7.449 21.642 6.595 547 HA GLU 69 HA GLU 69 8.263 19.377 8.085 548 HB2 GLU 69 HB2 GLU 69 5.418 20.300 7.700 549 HB3 GLU 69 HB3 GLU 69 6.092 19.425 9.069 550 HG2 GLU 69 HG2 GLU 69 7.493 21.415 9.571 551 HG3 GLU 69 HG3 GLU 69 6.642 22.277 8.291 552 H ILE 70 H ILE 70 8.538 17.425 7.235 553 HA ILE 70 HA ILE 70 7.149 16.565 4.875 554 HB ILE 70 HB ILE 70 9.112 15.220 6.713 555 HG12 ILE 70 HG12 ILE 70 10.234 15.094 4.311 556 HG13 ILE 70 HG13 ILE 70 9.150 16.443 3.989 557 HG21 ILE 70 HG21 ILE 70 9.012 13.462 4.729 558 HG22 ILE 70 HG22 ILE 70 7.986 13.324 6.155 559 HG23 ILE 70 HG23 ILE 70 7.338 14.012 4.666 560 HD11 ILE 70 HD11 ILE 70 11.457 16.275 5.870 561 HD12 ILE 70 HD12 ILE 70 11.074 17.503 4.663 562 HD13 ILE 70 HD13 ILE 70 10.155 17.428 6.166 563 H LYS 71 H LYS 71 5.000 16.275 5.182 564 HA LYS 71 HA LYS 71 4.057 14.757 7.486 565 HB2 LYS 71 HB2 LYS 71 2.661 16.318 5.320 566 HB3 LYS 71 HB3 LYS 71 1.780 15.289 6.441 567 HG2 LYS 71 HG2 LYS 71 2.294 16.631 8.271 568 HG3 LYS 71 HG3 LYS 71 3.636 17.418 7.436 569 HD2 LYS 71 HD2 LYS 71 0.913 17.716 6.283 570 HD3 LYS 71 HD3 LYS 71 1.287 18.609 7.759 571 HE2 LYS 71 HE2 LYS 71 2.103 20.161 6.359 572 HE3 LYS 71 HE3 LYS 71 3.501 19.093 6.251 573 HZ1 LYS 71 HZ1 LYS 71 1.332 18.455 4.445 574 HZ2 LYS 71 HZ2 LYS 71 2.998 18.511 4.160 575 HZ3 LYS 71 HZ3 LYS 71 2.090 19.938 4.143 576 H ALA 72 H ALA 72 2.150 13.208 6.911 577 HA ALA 72 HA ALA 72 3.243 11.243 5.062 578 HB1 ALA 72 HB1 ALA 72 2.511 9.795 6.571 579 HB2 ALA 72 HB2 ALA 72 1.822 11.119 7.512 580 HB3 ALA 72 HB3 ALA 72 0.851 10.314 6.278 581 HA PRO 73 HA PRO 73 0.410 12.123 1.809 582 HB2 PRO 73 HB2 PRO 73 0.433 9.716 0.554 583 HB3 PRO 73 HB3 PRO 73 1.784 10.854 0.473 584 HG2 PRO 73 HG2 PRO 73 1.449 8.434 2.203 585 HG3 PRO 73 HG3 PRO 73 2.881 8.985 1.314 586 HD2 PRO 73 HD2 PRO 73 2.570 9.394 3.973 587 HD3 PRO 73 HD3 PRO 73 3.442 10.533 2.927 588 H PHE 74 H PHE 74 -0.089 9.402 3.951 589 HA PHE 74 HA PHE 74 -2.853 9.862 4.199 590 HB2 PHE 74 HB2 PHE 74 -3.859 8.180 2.937 591 HB3 PHE 74 HB3 PHE 74 -2.610 8.774 1.850 592 HD1 PHE 74 HD2 PHE 74 -0.203 7.501 2.637 593 HD2 PHE 74 HD1 PHE 74 -4.158 5.928 2.655 594 HE1 PHE 74 HE2 PHE 74 0.705 5.223 2.439 595 HE2 PHE 74 HE1 PHE 74 -3.256 3.647 2.457 596 HZ PHE 74 HZ PHE 74 -0.821 3.293 2.348 597 H ASP 75 H ASP 75 -3.929 8.194 5.537 598 HA ASP 75 HA ASP 75 -2.305 7.438 7.707 599 HB2 ASP 75 HB2 ASP 75 -4.392 6.037 8.327 600 HB3 ASP 75 HB3 ASP 75 -4.555 7.789 8.244 601 H GLY 76 H GLY 76 -1.201 5.628 8.173 602 HA2 GLY 76 HA2 GLY 76 -1.789 3.059 7.166 603 HA3 GLY 76 HA3 GLY 76 -0.522 3.781 6.186 604 H THR 77 H THR 77 0.583 1.797 7.085 605 HA THR 77 HA THR 77 1.577 2.194 9.812 606 HB THR 77 HB THR 77 0.721 -0.085 8.760 607 HG1 THR 77 HG1 THR 77 1.357 -0.413 10.760 608 HG21 THR 77 HG21 THR 77 2.526 0.114 6.957 609 HG22 THR 77 HG22 THR 77 2.386 -1.435 7.788 610 HG23 THR 77 HG23 THR 77 3.672 -0.310 8.227 611 H ILE 78 H ILE 78 3.512 3.051 10.171 612 HA ILE 78 HA ILE 78 5.321 3.455 7.914 613 HB ILE 78 HB ILE 78 4.701 5.356 9.436 614 HG12 ILE 78 HG12 ILE 78 7.620 5.140 9.768 615 HG13 ILE 78 HG13 ILE 78 7.042 4.824 8.136 616 HG21 ILE 78 HG21 ILE 78 4.741 4.070 11.534 617 HG22 ILE 78 HG22 ILE 78 6.492 3.925 11.392 618 HG23 ILE 78 HG23 ILE 78 5.754 5.511 11.612 619 HD11 ILE 78 HD11 ILE 78 6.627 7.314 9.765 620 HD12 ILE 78 HD12 ILE 78 7.598 7.131 8.304 621 HD13 ILE 78 HD13 ILE 78 5.841 7.000 8.218 622 H GLY 79 H GLY 79 7.294 2.534 7.731 623 HA2 GLY 79 HA2 GLY 79 7.894 0.316 9.496 624 HA3 GLY 79 HA3 GLY 79 8.756 0.746 8.026 625 H ASP 80 H ASP 80 10.763 0.466 9.048 626 HA ASP 80 HA ASP 80 11.397 2.319 11.227 627 HB2 ASP 80 HB2 ASP 80 12.088 0.099 11.731 628 HB3 ASP 80 HB3 ASP 80 12.810 -0.112 10.138 629 H ALA 81 H ALA 81 12.674 4.048 10.955 630 HA ALA 81 HA ALA 81 13.177 5.214 8.533 631 HB1 ALA 81 HB1 ALA 81 15.213 6.256 9.936 632 HB2 ALA 81 HB2 ALA 81 13.531 6.730 10.170 633 HB3 ALA 81 HB3 ALA 81 14.274 5.552 11.253 634 H LEU 82 H LEU 82 14.316 4.530 6.850 635 HA LEU 82 HA LEU 82 16.485 2.640 7.196 636 HB2 LEU 82 HB2 LEU 82 16.231 2.127 4.999 637 HB3 LEU 82 HB3 LEU 82 14.624 2.768 5.331 638 HG LEU 82 HG LEU 82 15.735 5.016 4.488 639 HD11 LEU 82 HD11 LEU 82 17.126 3.495 2.477 640 HD12 LEU 82 HD12 LEU 82 17.821 3.216 4.073 641 HD13 LEU 82 HD13 LEU 82 17.687 4.859 3.446 642 HD21 LEU 82 HD21 LEU 82 15.204 3.784 2.072 643 HD22 LEU 82 HD22 LEU 82 14.036 4.602 3.109 644 HD23 LEU 82 HD23 LEU 82 14.258 2.856 3.236 645 H VAL 83 H VAL 83 16.146 5.988 7.053 646 HA VAL 83 HA VAL 83 18.970 6.314 6.268 647 HB VAL 83 HB VAL 83 18.414 8.642 5.662 648 HG11 VAL 83 HG11 VAL 83 18.316 6.658 4.056 649 HG12 VAL 83 HG12 VAL 83 16.562 6.801 4.180 650 HG13 VAL 83 HG13 VAL 83 17.516 8.147 3.554 651 HG21 VAL 83 HG21 VAL 83 16.022 9.253 5.401 652 HG22 VAL 83 HG22 VAL 83 15.588 7.773 6.255 653 HG23 VAL 83 HG23 VAL 83 16.509 9.030 7.081 654 H ASN 84 H ASN 84 19.618 8.710 7.168 655 HA ASN 84 HA ASN 84 18.955 8.724 10.036 656 HB2 ASN 84 HB2 ASN 84 21.627 8.676 8.701 657 HB3 ASN 84 HB3 ASN 84 21.454 9.597 10.193 658 HD21 ASN 84 HD21 ASN 84 20.990 6.415 8.759 659 HD22 ASN 84 HD22 ASN 84 21.207 5.523 10.223 660 H ILE 85 H ILE 85 19.616 10.827 11.094 661 HA ILE 85 HA ILE 85 18.464 12.989 9.611 662 HB ILE 85 HB ILE 85 19.743 12.921 12.343 663 HG12 ILE 85 HG12 ILE 85 16.856 13.009 11.445 664 HG13 ILE 85 HG13 ILE 85 17.673 11.637 12.187 665 HG21 ILE 85 HG21 ILE 85 18.278 15.151 10.946 666 HG22 ILE 85 HG22 ILE 85 18.658 15.131 12.667 667 HG23 ILE 85 HG23 ILE 85 19.960 15.150 11.476 668 HD11 ILE 85 HD11 ILE 85 16.939 12.376 14.137 669 HD12 ILE 85 HD12 ILE 85 18.037 13.747 13.966 670 HD13 ILE 85 HD13 ILE 85 16.366 13.880 13.417 671 H GLY 86 H GLY 86 19.446 14.970 9.054 672 HA2 GLY 86 HA2 GLY 86 21.196 16.409 8.540 673 HA3 GLY 86 HA3 GLY 86 22.308 15.285 9.305 674 H ASP 87 H ASP 87 20.421 13.559 7.205 675 HA ASP 87 HA ASP 87 22.586 13.412 5.273 676 HB2 ASP 87 HB2 ASP 87 20.611 11.607 6.264 677 HB3 ASP 87 HB3 ASP 87 20.398 11.750 4.521 678 H TYR 88 H TYR 88 22.592 14.431 3.385 679 HA TYR 88 HA TYR 88 20.513 16.192 2.625 680 HB2 TYR 88 HB2 TYR 88 22.925 16.495 2.051 681 HB3 TYR 88 HB3 TYR 88 22.781 15.164 0.907 682 HD1 TYR 88 HD2 TYR 88 21.137 15.416 -1.020 683 HD2 TYR 88 HD1 TYR 88 22.343 18.681 1.427 684 HE1 TYR 88 HE2 TYR 88 20.393 16.986 -2.760 685 HE2 TYR 88 HE1 TYR 88 21.603 20.262 -0.307 686 HH TYR 88 HH TYR 88 21.046 19.455 -3.412 687 H VAL 89 H VAL 89 18.634 15.679 1.745 688 HA VAL 89 HA VAL 89 18.324 13.134 0.350 689 HB VAL 89 HB VAL 89 15.857 13.887 0.321 690 HG11 VAL 89 HG11 VAL 89 17.377 12.445 2.112 691 HG12 VAL 89 HG12 VAL 89 16.493 13.576 3.141 692 HG13 VAL 89 HG13 VAL 89 15.614 12.500 2.053 693 HG21 VAL 89 HG21 VAL 89 16.362 15.520 2.700 694 HG22 VAL 89 HG22 VAL 89 16.891 16.256 1.186 695 HG23 VAL 89 HG23 VAL 89 15.211 15.756 1.384 696 H SER 90 H SER 90 16.845 13.160 -1.602 697 HA SER 90 HA SER 90 17.199 15.553 -3.256 698 HB2 SER 90 HB2 SER 90 18.553 13.005 -3.630 699 HB3 SER 90 HB3 SER 90 17.599 13.455 -5.042 700 HG SER 90 HG SER 90 18.680 15.557 -4.854 701 H ALA 91 H ALA 91 15.023 16.000 -3.217 702 HA ALA 91 HA ALA 91 12.773 15.749 -3.590 703 HB1 ALA 91 HB1 ALA 91 13.895 16.015 -5.865 704 HB2 ALA 91 HB2 ALA 91 13.617 14.285 -6.072 705 HB3 ALA 91 HB3 ALA 91 12.251 15.377 -5.844 706 H SER 92 H SER 92 11.516 13.668 -5.181 707 HA SER 92 HA SER 92 10.981 11.806 -3.102 708 HB2 SER 92 HB2 SER 92 9.771 10.619 -5.137 709 HB3 SER 92 HB3 SER 92 9.123 12.103 -4.437 710 HG SER 92 HG SER 92 9.195 12.538 -6.558 711 H THR 93 H THR 93 13.533 12.008 -5.195 712 HA THR 93 HA THR 93 13.895 9.279 -5.912 713 HB THR 93 HB THR 93 16.005 11.433 -5.680 714 HG1 THR 93 HG1 THR 93 14.253 11.976 -7.111 715 HG21 THR 93 HG21 THR 93 17.336 9.651 -6.068 716 HG22 THR 93 HG22 THR 93 16.752 9.809 -7.725 717 HG23 THR 93 HG23 THR 93 16.000 8.649 -6.631 718 H THR 94 H THR 94 14.487 11.092 -3.045 719 HA THR 94 HA THR 94 16.209 8.974 -1.962 720 HB THR 94 HB THR 94 15.660 11.774 -0.970 721 HG1 THR 94 HG1 THR 94 17.814 10.471 -2.247 722 HG21 THR 94 HG21 THR 94 16.007 10.814 1.061 723 HG22 THR 94 HG22 THR 94 17.696 10.947 0.570 724 HG23 THR 94 HG23 THR 94 16.840 9.418 0.378 725 H GLU 95 H GLU 95 14.495 7.465 -1.657 726 HA GLU 95 HA GLU 95 12.250 8.113 0.007 727 HB2 GLU 95 HB2 GLU 95 11.889 5.602 -0.055 728 HB3 GLU 95 HB3 GLU 95 11.867 6.427 -1.606 729 HG2 GLU 95 HG2 GLU 95 13.723 5.389 -2.341 730 HG3 GLU 95 HG3 GLU 95 14.482 5.382 -0.751 731 H LEU 96 H LEU 96 12.618 8.583 2.084 732 HA LEU 96 HA LEU 96 14.729 7.312 3.582 733 HB2 LEU 96 HB2 LEU 96 13.851 8.690 5.460 734 HB3 LEU 96 HB3 LEU 96 14.327 9.610 4.035 735 HG LEU 96 HG LEU 96 11.468 8.880 4.242 736 HD11 LEU 96 HD11 LEU 96 12.543 9.751 6.544 737 HD12 LEU 96 HD12 LEU 96 10.909 10.153 6.017 738 HD13 LEU 96 HD13 LEU 96 12.226 11.296 5.752 739 HD21 LEU 96 HD21 LEU 96 13.148 10.748 2.862 740 HD22 LEU 96 HD22 LEU 96 11.891 11.611 3.747 741 HD23 LEU 96 HD23 LEU 96 11.450 10.357 2.587 742 H VAL 97 H VAL 97 11.191 7.251 3.540 743 HA VAL 97 HA VAL 97 11.229 4.624 4.772 744 HB VAL 97 HB VAL 97 9.718 5.140 6.565 745 HG11 VAL 97 HG11 VAL 97 11.900 7.214 6.652 746 HG12 VAL 97 HG12 VAL 97 11.149 6.377 8.012 747 HG13 VAL 97 HG13 VAL 97 12.181 5.490 6.890 748 HG21 VAL 97 HG21 VAL 97 9.090 7.505 7.054 749 HG22 VAL 97 HG22 VAL 97 9.760 7.955 5.485 750 HG23 VAL 97 HG23 VAL 97 8.379 6.862 5.573 751 H ARG 98 H ARG 98 8.772 3.946 5.104 752 HA ARG 98 HA ARG 98 7.071 5.011 2.993 753 HB2 ARG 98 HB2 ARG 98 7.898 3.409 1.596 754 HB3 ARG 98 HB3 ARG 98 8.401 2.364 2.919 755 HG2 ARG 98 HG2 ARG 98 6.166 1.564 3.222 756 HG3 ARG 98 HG3 ARG 98 5.542 2.737 2.060 757 HD2 ARG 98 HD2 ARG 98 6.285 1.557 0.261 758 HD3 ARG 98 HD3 ARG 98 7.673 0.903 1.128 759 HE ARG 98 HE ARG 98 5.605 -0.343 2.316 760 HH11 ARG 98 HH11 ARG 98 6.484 0.099 -1.024 761 HH12 ARG 98 HH12 ARG 98 5.767 -1.391 -1.545 762 HH21 ARG 98 HH21 ARG 98 4.660 -2.306 1.643 763 HH22 ARG 98 HH22 ARG 98 4.730 -2.758 -0.027 764 H VAL 99 H VAL 99 4.877 4.550 3.263 765 HA VAL 99 HA VAL 99 4.153 3.119 5.731 766 HB VAL 99 HB VAL 99 3.192 5.822 4.819 767 HG11 VAL 99 HG11 VAL 99 1.722 5.324 7.046 768 HG12 VAL 99 HG12 VAL 99 1.127 5.142 5.394 769 HG13 VAL 99 HG13 VAL 99 1.726 3.736 6.277 770 HG21 VAL 99 HG21 VAL 99 5.197 5.336 6.435 771 HG22 VAL 99 HG22 VAL 99 4.054 6.632 6.791 772 HG23 VAL 99 HG23 VAL 99 3.913 5.079 7.616 773 H THR 100 H THR 100 2.764 1.531 5.364 774 HA THR 100 HA THR 100 0.727 1.838 3.286 775 HB THR 100 HB THR 100 2.468 0.638 2.127 776 HG1 THR 100 HG1 THR 100 1.264 -1.188 1.580 777 HG21 THR 100 HG21 THR 100 2.370 -1.411 4.341 778 HG22 THR 100 HG22 THR 100 3.635 -0.195 4.163 779 HG23 THR 100 HG23 THR 100 3.417 -1.429 2.922 780 H ASN 101 H ASN 101 -1.202 1.294 4.056 781 HA ASN 101 HA ASN 101 -1.858 -1.013 5.436 782 HB2 ASN 101 HB2 ASN 101 -0.404 0.273 7.185 783 HB3 ASN 101 HB3 ASN 101 -1.852 1.249 7.409 784 HD21 ASN 101 HD21 ASN 101 -1.938 0.480 9.562 785 HD22 ASN 101 HD22 ASN 101 -2.564 -1.091 9.915 786 H LEU 102 H LEU 102 -2.877 0.733 3.415 787 HA LEU 102 HA LEU 102 -5.615 0.726 4.099 788 HB2 LEU 102 HB2 LEU 102 -4.214 3.020 4.934 789 HB3 LEU 102 HB3 LEU 102 -5.153 3.497 3.522 790 HG LEU 102 HG LEU 102 -6.955 2.078 5.085 791 HD11 LEU 102 HD11 LEU 102 -6.660 3.604 7.217 792 HD12 LEU 102 HD12 LEU 102 -4.959 3.498 6.767 793 HD13 LEU 102 HD13 LEU 102 -5.877 2.029 7.095 794 HD21 LEU 102 HD21 LEU 102 -7.962 3.875 4.208 795 HD22 LEU 102 HD22 LEU 102 -6.480 4.832 4.219 796 HD23 LEU 102 HD23 LEU 102 -7.453 4.695 5.685 797 H ASN 103 H ASN 103 -6.791 2.332 2.367 798 HA ASN 103 HA ASN 103 -6.362 1.160 -0.126 799 HB2 ASN 103 HB2 ASN 103 -7.731 3.778 0.529 800 HB3 ASN 103 HB3 ASN 103 -7.865 2.924 -1.006 801 HD21 ASN 103 HD21 ASN 103 -9.403 3.498 1.791 802 HD22 ASN 103 HD22 ASN 103 -10.371 2.071 1.910 803 HA PRO 104 HA PRO 104 -3.050 3.369 -1.976 804 HB2 PRO 104 HB2 PRO 104 -3.807 3.357 -4.583 805 HB3 PRO 104 HB3 PRO 104 -3.228 1.913 -3.744 806 HG2 PRO 104 HG2 PRO 104 -6.037 2.762 -4.331 807 HG3 PRO 104 HG3 PRO 104 -5.302 1.154 -4.469 808 HD2 PRO 104 HD2 PRO 104 -6.846 1.874 -2.364 809 HD3 PRO 104 HD3 PRO 104 -5.494 0.734 -2.211 810 H ILE 105 H ILE 105 -3.263 5.449 -1.115 811 HA ILE 105 HA ILE 105 -5.119 7.325 -2.312 812 HB ILE 105 HB ILE 105 -3.038 7.650 -0.152 813 HG12 ILE 105 HG12 ILE 105 -5.041 6.372 0.479 814 HG13 ILE 105 HG13 ILE 105 -4.987 7.921 1.311 815 HG21 ILE 105 HG21 ILE 105 -4.922 9.683 -1.330 816 HG22 ILE 105 HG22 ILE 105 -4.077 9.893 0.203 817 HG23 ILE 105 HG23 ILE 105 -3.160 9.745 -1.296 818 HD11 ILE 105 HD11 ILE 105 -7.039 6.841 -0.325 819 HD12 ILE 105 HD12 ILE 105 -7.020 8.359 0.574 820 HD13 ILE 105 HD13 ILE 105 -6.423 8.307 -1.085 821 H TYR 106 H TYR 106 -4.677 8.660 -3.938 822 HA TYR 106 HA TYR 106 -2.004 9.637 -4.417 823 HB2 TYR 106 HB2 TYR 106 -3.319 7.653 -6.251 824 HB3 TYR 106 HB3 TYR 106 -2.182 8.840 -6.879 825 HD1 TYR 106 HD2 TYR 106 0.177 8.846 -6.010 826 HD2 TYR 106 HD1 TYR 106 -2.565 5.716 -5.122 827 HE1 TYR 106 HE2 TYR 106 2.054 7.389 -5.375 828 HE2 TYR 106 HE1 TYR 106 -0.695 4.251 -4.483 829 HH TYR 106 HH TYR 106 1.710 4.600 -3.636 830 H ALA 107 H ALA 107 -2.301 11.721 -4.798 831 HA ALA 107 HA ALA 107 -4.023 12.654 -6.875 832 HB1 ALA 107 HB1 ALA 107 -5.534 12.233 -4.822 833 HB2 ALA 107 HB2 ALA 107 -4.787 13.693 -4.174 834 HB3 ALA 107 HB3 ALA 107 -5.683 13.761 -5.691 835 H ASP 108 H ASP 108 -1.685 13.235 -7.246 836 HA ASP 108 HA ASP 108 -1.024 15.771 -5.898 837 HB2 ASP 108 HB2 ASP 108 1.254 15.304 -6.099 838 HB3 ASP 108 HB3 ASP 108 0.566 13.726 -5.724 839 H GLY 109 H GLY 109 0.818 16.814 -7.586 840 HA2 GLY 109 HA2 GLY 109 -0.758 17.252 -10.046 841 HA3 GLY 109 HA3 GLY 109 0.226 18.484 -9.268 842 H SER 110 H SER 110 0.195 15.765 -11.404 843 HA SER 110 HA SER 110 3.030 15.489 -11.629 844 HB2 SER 110 HB2 SER 110 2.086 14.394 -13.933 845 HB3 SER 110 HB3 SER 110 2.139 13.544 -12.389 846 HG SER 110 HG SER 110 0.056 13.446 -12.503 847 H HIS 111 H HIS 111 0.533 16.968 -13.685 848 HA HIS 111 HA HIS 111 2.299 17.931 -15.659 849 HB2 HIS 111 HB2 HIS 111 -0.503 18.045 -15.117 850 HB3 HIS 111 HB3 HIS 111 0.058 19.675 -15.475 851 HD1 HIS 111 HD1 HIS 111 -1.565 17.258 -17.212 852 HD2 HIS 111 HD2 HIS 111 2.068 19.145 -17.923 853 HE1 HIS 111 HE1 HIS 111 -1.138 16.987 -19.675 854 H HIS 112 H HIS 112 3.913 19.298 -15.296 855 HA HIS 112 HA HIS 112 3.887 21.157 -13.107 856 HB2 HIS 112 HB2 HIS 112 5.860 20.877 -15.385 857 HB3 HIS 112 HB3 HIS 112 6.110 21.811 -13.913 858 HD1 HIS 112 HD1 HIS 112 6.186 20.341 -11.647 859 HD2 HIS 112 HD2 HIS 112 6.621 18.266 -15.219 860 HE1 HIS 112 HE1 HIS 112 7.172 18.116 -11.016 861 H HIS 113 H HIS 113 4.157 23.460 -13.311 862 HA HIS 113 HA HIS 113 2.363 24.584 -15.248 863 HB2 HIS 113 HB2 HIS 113 3.827 25.551 -12.857 864 HB3 HIS 113 HB3 HIS 113 3.416 26.762 -14.067 865 HD1 HIS 113 HD1 HIS 113 1.307 27.892 -13.493 866 HD2 HIS 113 HD2 HIS 113 1.263 23.896 -12.354 867 HE1 HIS 113 HE1 HIS 113 -0.950 27.514 -12.453 868 H HIS 114 H HIS 114 2.889 25.212 -17.226 869 HA HIS 114 HA HIS 114 5.463 26.481 -17.718 870 HB2 HIS 114 HB2 HIS 114 6.029 25.054 -19.587 871 HB3 HIS 114 HB3 HIS 114 5.810 24.055 -18.154 872 HD1 HIS 114 HD1 HIS 114 5.155 23.846 -21.546 873 HD2 HIS 114 HD2 HIS 114 2.778 23.254 -18.190 874 HE1 HIS 114 HE1 HIS 114 3.244 22.406 -22.321 875 H HIS 115 H HIS 115 5.464 26.883 -20.329 876 HA HIS 115 HA HIS 115 3.439 28.811 -20.732 877 HB2 HIS 115 HB2 HIS 115 5.799 28.731 -21.744 878 HB3 HIS 115 HB3 HIS 115 5.118 27.628 -22.936 879 HD1 HIS 115 HD1 HIS 115 3.080 30.508 -21.716 880 HD2 HIS 115 HD2 HIS 115 5.441 29.513 -24.986 881 HE1 HIS 115 HE1 HIS 115 2.615 32.277 -23.442 882 H HIS 116 H HIS 116 1.383 28.045 -20.763 883 HA HIS 116 HA HIS 116 0.742 25.918 -22.692 884 HB2 HIS 116 HB2 HIS 116 0.105 25.521 -20.316 885 HB3 HIS 116 HB3 HIS 116 -0.943 26.933 -20.394 886 HD1 HIS 116 HD1 HIS 116 -0.535 23.687 -22.349 887 HD2 HIS 116 HD2 HIS 116 -3.489 26.265 -20.975 888 HE1 HIS 116 HE1 HIS 116 -2.717 22.626 -23.013 889 H2 B6D 117 H2 B6D 117 14.887 33.396 -3.986 890 H1 B6D 117 H1 B6D 117 13.908 30.676 -2.929 891 H3 B6D 117 H3 B6D 117 14.166 30.819 -5.468 892 HN2 B6D 117 HN2 B6D 117 12.221 32.110 -4.036 893 H5 B6D 117 H5 B6D 117 15.971 29.564 -4.001 894 H8 B6D 117 H22 B6D 117 10.358 33.388 -4.212 895 H8A B6D 117 H21 B6D 117 10.501 34.815 -5.265 896 H8B B6D 117 H23 B6D 117 10.680 34.987 -3.499 897 H4 B6D 117 H4 B6D 117 16.828 32.282 -5.116 898 HN4 B6D 117 HN4 B6D 117 16.014 30.094 -6.868 899 H9 B6D 117 H43 B6D 117 17.503 29.689 -8.699 900 H9A B6D 117 H41 B6D 117 19.258 29.904 -8.459 901 H9B B6D 117 H42 B6D 117 18.402 28.588 -7.615 902 H6 B6D 117 H62 B6D 117 18.056 29.618 -2.728 903 H6A B6D 117 H63 B6D 117 18.458 29.806 -4.446 904 H6B B6D 117 H61 B6D 117 18.468 31.217 -3.377 905 H1 A2G 118 H1 A2G 118 14.172 30.862 -7.694 906 H2 A2G 118 H2 A2G 118 14.109 32.091 -9.862 907 H3 A2G 118 H3 A2G 118 14.782 34.499 -8.101 908 H4 A2G 118 H4 A2G 118 12.693 35.421 -8.925 909 H5 A2G 118 H5 A2G 118 12.513 34.125 -6.995 910 H61 A2G 118 H61 A2G 118 10.154 33.815 -8.766 911 H62 A2G 118 H62 A2G 118 10.348 34.667 -7.227 912 H81 A2G 118 H81 A2G 118 18.839 32.750 -10.710 913 H82 A2G 118 H82 A2G 118 18.464 31.015 -10.562 914 H83 A2G 118 H83 A2G 118 18.577 32.021 -9.097 915 HO3 A2G 118 HO3 A2G 118 14.464 35.357 -10.483 916 HO6 A2G 118 HO6 A2G 118 10.720 32.250 -6.500 917 HN2 A2G 118 HN2 A2G 118 16.464 31.825 -8.262 918 H1 A2G 119 H1 A2G 119 10.631 35.250 -10.150 919 H2 A2G 119 H2 A2G 119 9.582 34.546 -12.299 920 H3 A2G 119 H3 A2G 119 11.915 32.567 -12.367 921 H4 A2G 119 H4 A2G 119 12.516 33.672 -14.443 922 H5 A2G 119 H5 A2G 119 13.437 34.610 -12.517 923 H61 A2G 119 H61 A2G 119 12.652 37.146 -13.933 924 H62 A2G 119 H62 A2G 119 13.793 35.972 -14.605 925 H81 A2G 119 H81 A2G 119 6.442 32.104 -10.052 926 H82 A2G 119 H82 A2G 119 7.996 31.860 -9.211 927 H83 A2G 119 H83 A2G 119 7.503 30.735 -10.502 928 HO3 A2G 119 HO3 A2G 119 9.440 32.567 -13.657 929 HO6 A2G 119 HO6 A2G 119 14.219 37.805 -12.656 930 HN2 A2G 119 HN2 A2G 119 9.986 32.524 -10.201 931 H1 A2G 120 H1 A2G 120 12.194 35.188 -16.173 932 H2 A2G 120 H2 A2G 120 10.614 36.526 -17.560 933 H3 A2G 120 H3 A2G 120 8.770 36.175 -15.145 934 H4 A2G 120 H4 A2G 120 7.278 35.073 -16.709 935 H5 A2G 120 H5 A2G 120 8.826 33.678 -15.664 936 H61 A2G 120 H61 A2G 120 8.978 32.614 -18.479 937 H62 A2G 120 H62 A2G 120 7.529 32.547 -17.465 938 H81 A2G 120 H81 A2G 120 12.956 40.142 -16.306 939 H82 A2G 120 H82 A2G 120 13.726 39.206 -14.998 940 H83 A2G 120 H83 A2G 120 12.026 39.717 -14.838 941 HO6 A2G 120 HO6 A2G 120 8.898 30.647 -17.311 942 HN2 A2G 120 HN2 A2G 120 10.549 38.087 -15.159 943 H1 A2G 121 H1 A2G 121 6.741 34.182 -18.851 944 H2 A2G 121 H2 A2G 121 6.823 34.526 -21.318 945 H3 A2G 121 H3 A2G 121 9.256 36.247 -20.631 946 H4 A2G 121 H4 A2G 121 8.004 38.055 -21.658 947 H5 A2G 121 H5 A2G 121 7.633 37.760 -19.374 948 H61 A2G 121 H61 A2G 121 5.976 39.354 -20.582 949 H62 A2G 121 H62 A2G 121 5.778 38.973 -18.865 950 H81 A2G 121 H81 A2G 121 9.214 30.773 -22.248 951 H82 A2G 121 H82 A2G 121 8.809 30.377 -20.559 952 H83 A2G 121 H83 A2G 121 10.103 31.552 -20.906 953 HO3 A2G 121 HO3 A2G 121 9.888 35.375 -22.460 954 HO6 A2G 121 HO6 A2G 121 4.424 37.098 -19.935 955 HN2 A2G 121 HN2 A2G 121 9.473 33.620 -20.375 956 H1 A2G 122 H1 A2G 122 5.941 38.954 -22.651 957 H2 A2G 122 H2 A2G 122 4.301 38.519 -24.478 958 H3 A2G 122 H3 A2G 122 4.948 35.592 -23.865 959 H4 A2G 122 H4 A2G 122 5.687 35.490 -26.175 960 H5 A2G 122 H5 A2G 122 7.322 36.119 -24.636 961 H61 A2G 122 H61 A2G 122 8.810 37.883 -25.949 962 H62 A2G 122 H62 A2G 122 7.627 37.530 -27.218 963 H81 A2G 122 H81 A2G 122 0.948 37.371 -21.536 964 H82 A2G 122 H82 A2G 122 0.647 39.121 -21.682 965 H83 A2G 122 H83 A2G 122 2.008 38.539 -20.691 966 HO3 A2G 122 HO3 A2G 122 3.043 36.538 -25.733 967 HO6 A2G 122 HO6 A2G 122 9.683 36.018 -26.468 968 HN2 A2G 122 HN2 A2G 122 3.774 37.244 -21.868 969 H2 BGC 123 H2 BGC 123 6.835 39.616 -17.112 970 H3 BGC 123 H3 BGC 123 4.958 39.658 -14.715 971 H4 BGC 123 H4 BGC 123 4.118 38.652 -17.486 972 H5 BGC 123 H5 BGC 123 4.610 37.033 -14.929 973 H6C1 BGC 123 H61 BGC 123 3.855 35.086 -16.030 974 H6C2 BGC 123 H62 BGC 123 2.670 36.282 -16.588 975 H1 BGC 123 H1 BGC 123 7.033 37.581 -14.834 976 HB BGC 123 HO2 BGC 123 7.077 39.958 -14.296 977 HC BGC 123 HO3 BGC 123 3.873 41.088 -16.227 978 HD BGC 123 HO4 BGC 123 2.910 38.989 -14.921 979 H6 BGC 123 HO6 BGC 123 3.888 34.879 -18.217 Start of MODEL 20 1 H1 ASP 1 H ASP 1 1.775 -0.433 -1.271 2 HA ASP 1 HA ASP 1 3.930 -0.753 0.594 3 HB2 ASP 1 HB2 ASP 1 4.320 -1.892 -2.180 4 HB3 ASP 1 HB3 ASP 1 5.504 -1.852 -0.877 5 H VAL 2 H VAL 2 3.971 1.473 0.678 6 HA VAL 2 HA VAL 2 5.018 2.796 -1.733 7 HB VAL 2 HB VAL 2 3.027 4.008 0.189 8 HG11 VAL 2 HG11 VAL 2 4.207 5.839 -0.514 9 HG12 VAL 2 HG12 VAL 2 4.653 5.101 -2.053 10 HG13 VAL 2 HG13 VAL 2 3.020 5.723 -1.811 11 HG21 VAL 2 HG21 VAL 2 2.639 3.264 -2.706 12 HG22 VAL 2 HG22 VAL 2 2.086 2.288 -1.347 13 HG23 VAL 2 HG23 VAL 2 1.427 3.904 -1.597 14 H ILE 3 H ILE 3 6.482 4.491 -1.381 15 HA ILE 3 HA ILE 3 7.663 4.507 1.314 16 HB ILE 3 HB ILE 3 8.979 5.239 -1.303 17 HG12 ILE 3 HG12 ILE 3 9.113 2.736 0.383 18 HG13 ILE 3 HG13 ILE 3 8.573 2.873 -1.286 19 HG21 ILE 3 HG21 ILE 3 10.969 5.552 -0.132 20 HG22 ILE 3 HG22 ILE 3 9.758 6.318 0.894 21 HG23 ILE 3 HG23 ILE 3 10.369 4.714 1.299 22 HD11 ILE 3 HD11 ILE 3 10.947 3.659 -1.794 23 HD12 ILE 3 HD12 ILE 3 11.354 3.028 -0.197 24 HD13 ILE 3 HD13 ILE 3 10.702 1.951 -1.431 25 H ILE 4 H ILE 4 7.401 6.283 2.479 26 HA ILE 4 HA ILE 4 6.205 8.638 1.439 27 HB ILE 4 HB ILE 4 7.556 8.122 4.089 28 HG12 ILE 4 HG12 ILE 4 4.630 8.324 3.338 29 HG13 ILE 4 HG13 ILE 4 5.497 6.821 3.635 30 HG21 ILE 4 HG21 ILE 4 6.372 10.187 4.832 31 HG22 ILE 4 HG22 ILE 4 7.672 10.476 3.677 32 HG23 ILE 4 HG23 ILE 4 5.992 10.517 3.142 33 HD11 ILE 4 HD11 ILE 4 5.869 8.559 5.861 34 HD12 ILE 4 HD12 ILE 4 4.149 8.449 5.486 35 HD13 ILE 4 HD13 ILE 4 5.080 6.983 5.795 36 H LYS 5 H LYS 5 7.078 10.446 0.641 37 HA LYS 5 HA LYS 5 9.963 10.895 0.993 38 HB2 LYS 5 HB2 LYS 5 8.665 11.615 -1.601 39 HB3 LYS 5 HB3 LYS 5 10.349 11.242 -1.262 40 HG2 LYS 5 HG2 LYS 5 8.084 9.260 -1.351 41 HG3 LYS 5 HG3 LYS 5 9.311 9.498 -2.596 42 HD2 LYS 5 HD2 LYS 5 10.618 9.099 -0.095 43 HD3 LYS 5 HD3 LYS 5 9.420 7.822 -0.314 44 HE2 LYS 5 HE2 LYS 5 11.656 8.577 -2.186 45 HE3 LYS 5 HE3 LYS 5 11.496 7.086 -1.259 46 HZ1 LYS 5 HZ1 LYS 5 10.809 6.523 -3.394 47 HZ2 LYS 5 HZ2 LYS 5 9.944 7.960 -3.616 48 HZ3 LYS 5 HZ3 LYS 5 9.352 6.769 -2.569 49 HA PRO 6 HA PRO 6 8.972 15.057 1.967 50 HB2 PRO 6 HB2 PRO 6 11.052 16.411 0.866 51 HB3 PRO 6 HB3 PRO 6 11.218 15.405 2.311 52 HG2 PRO 6 HG2 PRO 6 11.886 14.757 -0.535 53 HG3 PRO 6 HG3 PRO 6 12.810 14.408 0.940 54 HD2 PRO 6 HD2 PRO 6 11.284 12.545 -0.300 55 HD3 PRO 6 HD3 PRO 6 11.524 12.567 1.458 56 H GLN 7 H GLN 7 9.193 17.386 0.779 57 HA GLN 7 HA GLN 7 7.793 17.081 -1.796 58 HB2 GLN 7 HB2 GLN 7 6.371 17.936 0.047 59 HB3 GLN 7 HB3 GLN 7 7.469 19.297 0.235 60 HG2 GLN 7 HG2 GLN 7 6.655 20.377 -1.559 61 HG3 GLN 7 HG3 GLN 7 6.416 18.891 -2.478 62 HE21 GLN 7 HE21 GLN 7 5.159 20.143 0.597 63 HE22 GLN 7 HE22 GLN 7 3.492 19.919 0.202 64 H VAL 8 H VAL 8 10.637 18.044 -0.443 65 HA VAL 8 HA VAL 8 11.355 19.568 -2.807 66 HB VAL 8 HB VAL 8 12.359 21.414 -1.534 67 HG11 VAL 8 HG11 VAL 8 9.469 21.237 -0.747 68 HG12 VAL 8 HG12 VAL 8 10.395 22.652 -1.253 69 HG13 VAL 8 HG13 VAL 8 9.961 21.413 -2.431 70 HG21 VAL 8 HG21 VAL 8 10.985 20.153 0.837 71 HG22 VAL 8 HG22 VAL 8 12.726 20.279 0.582 72 HG23 VAL 8 HG23 VAL 8 11.764 21.736 0.830 73 H SER 9 H SER 9 13.766 20.169 -2.684 74 HA SER 9 HA SER 9 15.189 17.795 -1.732 75 HB2 SER 9 HB2 SER 9 16.977 18.481 -3.267 76 HB3 SER 9 HB3 SER 9 15.432 18.387 -4.113 77 HG SER 9 HG SER 9 17.025 20.405 -4.124 78 H GLY 10 H GLY 10 16.914 17.878 -0.344 79 HA2 GLY 10 HA2 GLY 10 18.399 20.093 0.406 80 HA3 GLY 10 HA3 GLY 10 17.009 20.055 1.481 81 H VAL 11 H VAL 11 17.669 19.311 3.386 82 HA VAL 11 HA VAL 11 18.975 16.701 3.480 83 HB VAL 11 HB VAL 11 20.760 17.331 4.861 84 HG11 VAL 11 HG11 VAL 11 20.855 18.071 2.409 85 HG12 VAL 11 HG12 VAL 11 20.647 19.709 3.034 86 HG13 VAL 11 HG13 VAL 11 22.045 18.749 3.521 87 HG21 VAL 11 HG21 VAL 11 19.116 19.746 5.379 88 HG22 VAL 11 HG22 VAL 11 20.035 18.740 6.498 89 HG23 VAL 11 HG23 VAL 11 20.869 19.914 5.479 90 H ILE 12 H ILE 12 18.450 15.494 5.260 91 HA ILE 12 HA ILE 12 16.073 15.990 6.598 92 HB ILE 12 HB ILE 12 18.356 14.246 7.531 93 HG12 ILE 12 HG12 ILE 12 17.552 13.707 5.257 94 HG13 ILE 12 HG13 ILE 12 17.176 12.430 6.409 95 HG21 ILE 12 HG21 ILE 12 15.434 14.189 8.273 96 HG22 ILE 12 HG22 ILE 12 16.659 13.036 8.801 97 HG23 ILE 12 HG23 ILE 12 16.755 14.722 9.312 98 HD11 ILE 12 HD11 ILE 12 15.018 12.580 5.953 99 HD12 ILE 12 HD12 ILE 12 15.017 14.319 6.251 100 HD13 ILE 12 HD13 ILE 12 15.430 13.699 4.654 101 H VAL 13 H VAL 13 15.509 16.928 8.498 102 HA VAL 13 HA VAL 13 17.624 18.405 9.913 103 HB VAL 13 HB VAL 13 14.664 18.970 10.023 104 HG11 VAL 13 HG11 VAL 13 16.531 21.156 10.459 105 HG12 VAL 13 HG12 VAL 13 15.162 20.623 11.438 106 HG13 VAL 13 HG13 VAL 13 16.734 19.844 11.619 107 HG21 VAL 13 HG21 VAL 13 16.525 19.460 7.886 108 HG22 VAL 13 HG22 VAL 13 14.794 19.787 7.958 109 HG23 VAL 13 HG23 VAL 13 15.943 20.984 8.557 110 H ASN 14 H ASN 14 14.766 16.380 10.382 111 HA ASN 14 HA ASN 14 15.804 15.151 12.699 112 HB2 ASN 14 HB2 ASN 14 15.021 17.558 13.437 113 HB3 ASN 14 HB3 ASN 14 13.424 16.817 13.410 114 HD21 ASN 14 HD21 ASN 14 12.779 15.938 15.230 115 HD22 ASN 14 HD22 ASN 14 13.797 15.362 16.502 116 H LYS 15 H LYS 15 14.184 13.695 13.739 117 HA LYS 15 HA LYS 15 12.109 12.911 11.797 118 HB2 LYS 15 HB2 LYS 15 12.457 10.603 12.448 119 HB3 LYS 15 HB3 LYS 15 13.987 11.307 11.941 120 HG2 LYS 15 HG2 LYS 15 14.083 11.786 14.596 121 HG3 LYS 15 HG3 LYS 15 13.150 10.289 14.564 122 HD2 LYS 15 HD2 LYS 15 15.807 10.700 13.193 123 HD3 LYS 15 HD3 LYS 15 15.589 9.908 14.756 124 HE2 LYS 15 HE2 LYS 15 14.273 8.166 13.743 125 HE3 LYS 15 HE3 LYS 15 14.298 8.997 12.188 126 HZ1 LYS 15 HZ1 LYS 15 16.889 8.771 12.608 127 HZ2 LYS 15 HZ2 LYS 15 15.990 7.560 11.842 128 HZ3 LYS 15 HZ3 LYS 15 16.376 7.416 13.482 129 H LEU 16 H LEU 16 10.077 12.510 12.528 130 HA LEU 16 HA LEU 16 9.620 12.693 15.430 131 HB2 LEU 16 HB2 LEU 16 8.007 13.978 13.232 132 HB3 LEU 16 HB3 LEU 16 7.523 13.916 14.924 133 HG LEU 16 HG LEU 16 9.624 15.215 15.448 134 HD11 LEU 16 HD11 LEU 16 9.949 14.870 12.588 135 HD12 LEU 16 HD12 LEU 16 11.117 15.382 13.806 136 HD13 LEU 16 HD13 LEU 16 10.033 16.564 13.073 137 HD21 LEU 16 HD21 LEU 16 7.291 16.261 13.914 138 HD22 LEU 16 HD22 LEU 16 8.605 17.357 14.339 139 HD23 LEU 16 HD23 LEU 16 7.726 16.499 15.606 140 H PHE 17 H PHE 17 9.854 10.342 13.757 141 HA PHE 17 HA PHE 17 7.252 9.161 14.362 142 HB2 PHE 17 HB2 PHE 17 8.031 9.791 11.733 143 HB3 PHE 17 HB3 PHE 17 8.243 8.051 11.890 144 HD1 PHE 17 HD1 PHE 17 5.743 10.668 12.802 145 HD2 PHE 17 HD2 PHE 17 6.452 6.729 11.352 146 HE1 PHE 17 HE1 PHE 17 3.323 10.351 12.487 147 HE2 PHE 17 HE2 PHE 17 4.034 6.407 11.034 148 HZ PHE 17 HZ PHE 17 2.466 8.220 11.601 149 H LYS 18 H LYS 18 7.301 6.862 14.599 150 HA LYS 18 HA LYS 18 9.988 5.687 14.798 151 HB2 LYS 18 HB2 LYS 18 7.955 4.983 16.866 152 HB3 LYS 18 HB3 LYS 18 9.711 4.968 16.972 153 HG2 LYS 18 HG2 LYS 18 9.413 7.572 16.741 154 HG3 LYS 18 HG3 LYS 18 7.802 7.211 17.363 155 HD2 LYS 18 HD2 LYS 18 8.715 6.197 19.329 156 HD3 LYS 18 HD3 LYS 18 10.353 6.288 18.677 157 HE2 LYS 18 HE2 LYS 18 10.328 8.102 20.093 158 HE3 LYS 18 HE3 LYS 18 9.857 8.849 18.569 159 HZ1 LYS 18 HZ1 LYS 18 7.736 9.172 19.274 160 HZ2 LYS 18 HZ2 LYS 18 8.514 9.256 20.773 161 HZ3 LYS 18 HZ3 LYS 18 7.734 7.831 20.304 162 H ALA 19 H ALA 19 10.135 3.788 13.803 163 HA ALA 19 HA ALA 19 8.202 2.624 12.265 164 HB1 ALA 19 HB1 ALA 19 10.773 2.104 12.609 165 HB2 ALA 19 HB2 ALA 19 10.124 0.781 13.579 166 HB3 ALA 19 HB3 ALA 19 9.677 0.930 11.880 167 H GLY 20 H GLY 20 6.276 1.816 12.759 168 HA2 GLY 20 HA2 GLY 20 5.051 -0.021 13.764 169 HA3 GLY 20 HA3 GLY 20 6.035 0.186 15.206 170 H ASP 21 H ASP 21 4.860 3.009 13.605 171 HA ASP 21 HA ASP 21 2.856 3.352 15.739 172 HB2 ASP 21 HB2 ASP 21 5.086 4.925 15.241 173 HB3 ASP 21 HB3 ASP 21 3.770 5.825 14.493 174 H LYS 22 H LYS 22 1.253 5.196 15.054 175 HA LYS 22 HA LYS 22 0.137 4.359 12.483 176 HB2 LYS 22 HB2 LYS 22 -1.962 5.205 13.257 177 HB3 LYS 22 HB3 LYS 22 -1.254 4.270 14.569 178 HG2 LYS 22 HG2 LYS 22 -0.320 6.733 15.161 179 HG3 LYS 22 HG3 LYS 22 -1.860 7.139 14.401 180 HD2 LYS 22 HD2 LYS 22 -3.086 6.179 16.060 181 HD3 LYS 22 HD3 LYS 22 -1.873 4.940 16.388 182 HE2 LYS 22 HE2 LYS 22 -1.012 7.674 17.003 183 HE3 LYS 22 HE3 LYS 22 -2.376 7.109 17.967 184 HZ1 LYS 22 HZ1 LYS 22 -0.713 6.286 19.226 185 HZ2 LYS 22 HZ2 LYS 22 0.387 6.194 17.944 186 HZ3 LYS 22 HZ3 LYS 22 -0.794 4.998 18.131 187 H VAL 23 H VAL 23 -0.453 5.812 10.874 188 HA VAL 23 HA VAL 23 0.575 8.557 11.185 189 HB VAL 23 HB VAL 23 2.154 7.633 9.748 190 HG11 VAL 23 HG11 VAL 23 1.560 6.162 7.831 191 HG12 VAL 23 HG12 VAL 23 1.183 5.465 9.409 192 HG13 VAL 23 HG13 VAL 23 -0.104 6.148 8.414 193 HG21 VAL 23 HG21 VAL 23 0.034 8.647 7.859 194 HG22 VAL 23 HG22 VAL 23 1.080 9.677 8.835 195 HG23 VAL 23 HG23 VAL 23 1.777 8.638 7.592 196 H LYS 24 H LYS 24 -0.581 10.201 10.197 197 HA LYS 24 HA LYS 24 -3.286 9.450 9.316 198 HB2 LYS 24 HB2 LYS 24 -3.515 10.823 11.200 199 HB3 LYS 24 HB3 LYS 24 -2.192 11.874 10.712 200 HG2 LYS 24 HG2 LYS 24 -4.194 13.094 10.408 201 HG3 LYS 24 HG3 LYS 24 -3.630 12.631 8.800 202 HD2 LYS 24 HD2 LYS 24 -5.201 10.537 9.293 203 HD3 LYS 24 HD3 LYS 24 -6.011 11.721 10.322 204 HE2 LYS 24 HE2 LYS 24 -5.311 12.355 7.475 205 HE3 LYS 24 HE3 LYS 24 -6.783 11.472 7.876 206 HZ1 LYS 24 HZ1 LYS 24 -6.116 14.266 8.324 207 HZ2 LYS 24 HZ2 LYS 24 -6.979 13.505 9.563 208 HZ3 LYS 24 HZ3 LYS 24 -7.612 13.550 7.995 209 H LYS 25 H LYS 25 -4.233 10.534 7.535 210 HA LYS 25 HA LYS 25 -2.476 10.954 5.356 211 HB2 LYS 25 HB2 LYS 25 -5.224 12.038 5.171 212 HB3 LYS 25 HB3 LYS 25 -4.351 10.989 4.063 213 HG2 LYS 25 HG2 LYS 25 -4.667 9.200 5.919 214 HG3 LYS 25 HG3 LYS 25 -5.950 10.276 6.480 215 HD2 LYS 25 HD2 LYS 25 -6.990 8.722 5.035 216 HD3 LYS 25 HD3 LYS 25 -6.846 10.218 4.110 217 HE2 LYS 25 HE2 LYS 25 -4.621 9.200 3.270 218 HE3 LYS 25 HE3 LYS 25 -5.285 7.674 3.852 219 HZ1 LYS 25 HZ1 LYS 25 -6.970 7.715 2.302 220 HZ2 LYS 25 HZ2 LYS 25 -5.688 8.380 1.421 221 HZ3 LYS 25 HZ3 LYS 25 -6.883 9.389 2.069 222 H GLY 26 H GLY 26 -1.047 12.617 5.929 223 HA2 GLY 26 HA2 GLY 26 -0.697 14.917 5.171 224 HA3 GLY 26 HA3 GLY 26 -2.267 15.306 5.860 225 H GLN 27 H GLN 27 -0.280 13.176 7.675 226 HA GLN 27 HA GLN 27 0.083 15.262 9.686 227 HB2 GLN 27 HB2 GLN 27 -0.036 13.632 11.245 228 HB3 GLN 27 HB3 GLN 27 -0.751 12.696 9.939 229 HG2 GLN 27 HG2 GLN 27 0.967 11.285 9.859 230 HG3 GLN 27 HG3 GLN 27 2.155 12.584 9.957 231 HE21 GLN 27 HE21 GLN 27 0.228 10.316 11.739 232 HE22 GLN 27 HE22 GLN 27 1.035 10.509 13.255 233 H THR 28 H THR 28 2.107 15.604 10.730 234 HA THR 28 HA THR 28 4.320 15.593 8.914 235 HB THR 28 HB THR 28 4.901 16.187 11.740 236 HG1 THR 28 HG1 THR 28 2.962 17.125 11.907 237 HG21 THR 28 HG21 THR 28 5.441 18.425 10.309 238 HG22 THR 28 HG22 THR 28 5.541 17.197 9.048 239 HG23 THR 28 HG23 THR 28 6.556 17.071 10.484 240 H LEU 29 H LEU 29 6.284 14.508 9.104 241 HA LEU 29 HA LEU 29 6.424 12.342 11.079 242 HB2 LEU 29 HB2 LEU 29 7.316 11.849 8.273 243 HB3 LEU 29 HB3 LEU 29 6.864 10.690 9.522 244 HG LEU 29 HG LEU 29 4.857 12.494 8.193 245 HD11 LEU 29 HD11 LEU 29 6.317 10.426 6.954 246 HD12 LEU 29 HD12 LEU 29 4.902 11.281 6.340 247 HD13 LEU 29 HD13 LEU 29 4.700 9.797 7.272 248 HD21 LEU 29 HD21 LEU 29 3.242 11.095 9.124 249 HD22 LEU 29 HD22 LEU 29 4.430 11.281 10.415 250 HD23 LEU 29 HD23 LEU 29 4.404 9.807 9.444 251 H PHE 30 H PHE 30 8.316 13.644 8.346 252 HA PHE 30 HA PHE 30 10.628 13.811 10.166 253 HB2 PHE 30 HB2 PHE 30 10.571 13.191 7.207 254 HB3 PHE 30 HB3 PHE 30 12.043 13.497 8.125 255 HD1 PHE 30 HD1 PHE 30 9.149 11.216 7.815 256 HD2 PHE 30 HD2 PHE 30 13.064 11.799 9.379 257 HE1 PHE 30 HE1 PHE 30 9.254 8.836 8.428 258 HE2 PHE 30 HE2 PHE 30 13.177 9.420 9.994 259 HZ PHE 30 HZ PHE 30 11.271 7.934 9.518 260 H ILE 31 H ILE 31 12.371 15.307 8.902 261 HA ILE 31 HA ILE 31 11.034 17.702 7.888 262 HB ILE 31 HB ILE 31 13.076 17.884 10.098 263 HG12 ILE 31 HG12 ILE 31 10.064 17.882 10.217 264 HG13 ILE 31 HG13 ILE 31 11.189 16.890 11.137 265 HG21 ILE 31 HG21 ILE 31 12.415 20.204 10.210 266 HG22 ILE 31 HG22 ILE 31 12.890 19.805 8.560 267 HG23 ILE 31 HG23 ILE 31 11.183 19.943 8.976 268 HD11 ILE 31 HD11 ILE 31 11.946 19.347 11.936 269 HD12 ILE 31 HD12 ILE 31 10.231 19.618 11.631 270 HD13 ILE 31 HD13 ILE 31 10.739 18.364 12.762 271 H ILE 32 H ILE 32 12.329 19.032 6.607 272 HA ILE 32 HA ILE 32 15.102 18.237 6.159 273 HB ILE 32 HB ILE 32 12.950 18.167 4.062 274 HG12 ILE 32 HG12 ILE 32 15.241 16.258 4.495 275 HG13 ILE 32 HG13 ILE 32 13.740 16.121 5.404 276 HG21 ILE 32 HG21 ILE 32 14.442 19.455 2.887 277 HG22 ILE 32 HG22 ILE 32 15.840 18.812 3.745 278 HG23 ILE 32 HG23 ILE 32 15.039 17.840 2.511 279 HD11 ILE 32 HD11 ILE 32 14.302 14.992 2.944 280 HD12 ILE 32 HD12 ILE 32 12.718 15.122 3.710 281 HD13 ILE 32 HD13 ILE 32 13.249 16.355 2.567 282 H GLU 33 H GLU 33 16.420 19.896 5.579 283 HA GLU 33 HA GLU 33 15.165 22.546 5.394 284 HB2 GLU 33 HB2 GLU 33 16.639 22.605 7.196 285 HB3 GLU 33 HB3 GLU 33 17.824 21.588 6.390 286 HG2 GLU 33 HG2 GLU 33 17.273 24.209 5.151 287 HG3 GLU 33 HG3 GLU 33 18.116 24.222 6.698 288 H GLN 34 H GLN 34 15.509 23.872 3.684 289 HA GLN 34 HA GLN 34 17.396 23.005 1.609 290 HB2 GLN 34 HB2 GLN 34 15.710 23.579 -0.126 291 HB3 GLN 34 HB3 GLN 34 15.249 22.202 0.865 292 HG2 GLN 34 HG2 GLN 34 14.265 25.004 1.332 293 HG3 GLN 34 HG3 GLN 34 13.408 23.804 0.367 294 HE21 GLN 34 HE21 GLN 34 13.835 21.537 1.864 295 HE22 GLN 34 HE22 GLN 34 13.026 21.692 3.382 296 H ASP 35 H ASP 35 17.096 24.904 -0.248 297 HA ASP 35 HA ASP 35 17.888 27.329 1.192 298 HB2 ASP 35 HB2 ASP 35 19.472 26.386 -0.460 299 HB3 ASP 35 HB3 ASP 35 18.265 26.610 -1.724 300 H GLN 36 H GLN 36 16.423 26.900 -2.017 301 HA GLN 36 HA GLN 36 14.601 27.845 -3.001 302 HB2 GLN 36 HB2 GLN 36 13.632 28.661 -0.269 303 HB3 GLN 36 HB3 GLN 36 12.677 28.334 -1.709 304 HG2 GLN 36 HG2 GLN 36 13.285 25.968 -1.568 305 HG3 GLN 36 HG3 GLN 36 14.217 26.303 -0.110 306 HE21 GLN 36 HE21 GLN 36 11.845 24.593 -0.614 307 HE22 GLN 36 HE22 GLN 36 10.667 25.105 0.541 308 H ALA 37 H ALA 37 17.016 29.418 -1.711 309 HA ALA 37 HA ALA 37 15.974 32.109 -1.632 310 HB1 ALA 37 HB1 ALA 37 18.193 30.869 -0.561 311 HB2 ALA 37 HB2 ALA 37 18.863 31.886 -1.837 312 HB3 ALA 37 HB3 ALA 37 17.870 32.603 -0.568 313 H SER 38 H SER 38 16.254 30.165 -4.122 314 HA SER 38 HA SER 38 17.893 31.521 -5.979 315 HB2 SER 38 HB2 SER 38 16.769 30.196 -7.679 316 HB3 SER 38 HB3 SER 38 17.085 29.186 -6.268 317 HG SER 38 HG SER 38 15.025 28.851 -6.155 318 H LYS 39 H LYS 39 16.048 31.778 -8.171 319 HA LYS 39 HA LYS 39 15.500 34.439 -8.214 320 HB2 LYS 39 HB2 LYS 39 13.344 33.206 -9.590 321 HB3 LYS 39 HB3 LYS 39 14.820 33.884 -10.264 322 HG2 LYS 39 HG2 LYS 39 14.674 31.663 -11.045 323 HG3 LYS 39 HG3 LYS 39 15.923 31.674 -9.798 324 HD2 LYS 39 HD2 LYS 39 14.567 29.741 -9.448 325 HD3 LYS 39 HD3 LYS 39 14.182 30.898 -8.172 326 HE2 LYS 39 HE2 LYS 39 12.046 30.600 -8.741 327 HE3 LYS 39 HE3 LYS 39 12.410 31.547 -10.182 328 HZ1 LYS 39 HZ1 LYS 39 12.950 28.663 -10.211 329 HZ2 LYS 39 HZ2 LYS 39 12.525 29.690 -11.486 330 HZ3 LYS 39 HZ3 LYS 39 11.350 29.189 -10.376 331 H ASP 40 H ASP 40 13.011 31.978 -7.510 332 HA ASP 40 HA ASP 40 11.908 33.584 -5.392 333 HB2 ASP 40 HB2 ASP 40 9.595 33.566 -6.536 334 HB3 ASP 40 HB3 ASP 40 10.765 34.775 -7.058 335 H PHE 41 H PHE 41 12.635 31.497 -4.469 336 HA PHE 41 HA PHE 41 10.579 29.413 -4.809 337 HB2 PHE 41 HB2 PHE 41 13.510 29.261 -4.680 338 HB3 PHE 41 HB3 PHE 41 12.689 28.118 -3.622 339 HD1 PHE 41 HD1 PHE 41 11.669 29.381 -6.964 340 HD2 PHE 41 HD2 PHE 41 12.974 26.059 -4.647 341 HE1 PHE 41 HE1 PHE 41 11.278 27.891 -8.884 342 HE2 PHE 41 HE2 PHE 41 12.587 24.564 -6.562 343 HZ PHE 41 HZ PHE 41 11.739 25.480 -8.685 344 H ASN 42 H ASN 42 12.042 31.627 -2.691 345 HA ASN 42 HA ASN 42 10.857 30.273 -0.358 346 HB2 ASN 42 HB2 ASN 42 12.455 31.423 1.039 347 HB3 ASN 42 HB3 ASN 42 13.329 30.624 -0.264 348 HD21 ASN 42 HD21 ASN 42 12.900 33.472 1.400 349 H ARG 43 H ARG 43 11.422 33.461 -1.822 350 HA ARG 43 HA ARG 43 10.163 35.357 -1.842 351 HB2 ARG 43 HB2 ARG 43 8.281 33.265 -1.662 352 HB3 ARG 43 HB3 ARG 43 7.779 34.478 -0.492 353 HG2 ARG 43 HG2 ARG 43 6.762 35.466 -2.208 354 HG3 ARG 43 HG3 ARG 43 8.374 35.990 -2.697 355 HD2 ARG 43 HD2 ARG 43 8.471 34.529 -4.418 356 HD3 ARG 43 HD3 ARG 43 7.595 33.276 -3.539 357 HE ARG 43 HE ARG 43 6.494 35.203 -5.339 358 HH11 ARG 43 HH11 ARG 43 5.821 33.267 -2.524 359 HH12 ARG 43 HH12 ARG 43 4.110 33.233 -2.796 360 HH21 ARG 43 HH21 ARG 43 4.243 35.164 -5.708 361 HH22 ARG 43 HH22 ARG 43 3.214 34.311 -4.607 362 H SER 44 H SER 44 11.264 33.853 0.815 363 HA SER 44 HA SER 44 11.696 34.475 2.960 364 HB2 SER 44 HB2 SER 44 12.625 36.495 2.143 365 HB3 SER 44 HB3 SER 44 11.041 37.154 1.739 366 HG SER 44 HG SER 44 12.201 37.832 3.796 367 H LYS 45 H LYS 45 10.690 35.428 4.971 368 HA LYS 45 HA LYS 45 8.103 34.403 5.318 369 HB2 LYS 45 HB2 LYS 45 9.561 36.421 7.036 370 HB3 LYS 45 HB3 LYS 45 8.174 35.459 7.531 371 HG2 LYS 45 HG2 LYS 45 9.741 34.108 8.393 372 HG3 LYS 45 HG3 LYS 45 9.855 33.507 6.738 373 HD2 LYS 45 HD2 LYS 45 11.523 35.684 6.697 374 HD3 LYS 45 HD3 LYS 45 11.778 35.040 8.320 375 HE2 LYS 45 HE2 LYS 45 13.357 34.045 6.781 376 HE3 LYS 45 HE3 LYS 45 12.217 32.822 7.342 377 HZ1 LYS 45 HZ1 LYS 45 12.523 33.997 4.683 378 HZ2 LYS 45 HZ2 LYS 45 10.962 33.568 5.171 379 HZ3 LYS 45 HZ3 LYS 45 12.185 32.400 5.126 380 H ALA 46 H ALA 46 9.130 37.821 5.451 381 HA ALA 46 HA ALA 46 7.048 38.768 3.811 382 HB1 ALA 46 HB1 ALA 46 5.353 39.324 5.184 383 HB2 ALA 46 HB2 ALA 46 6.014 38.042 6.198 384 HB3 ALA 46 HB3 ALA 46 6.428 39.725 6.523 385 H LEU 47 H LEU 47 6.641 41.293 4.638 386 HA LEU 47 HA LEU 47 9.351 42.389 5.010 387 HB2 LEU 47 HB2 LEU 47 7.133 43.486 3.288 388 HB3 LEU 47 HB3 LEU 47 8.696 44.254 3.555 389 HG LEU 47 HG LEU 47 9.323 41.720 2.596 390 HD11 LEU 47 HD11 LEU 47 6.691 42.099 1.914 391 HD12 LEU 47 HD12 LEU 47 7.829 41.033 1.090 392 HD13 LEU 47 HD13 LEU 47 7.556 42.666 0.484 393 HD21 LEU 47 HD21 LEU 47 9.296 44.493 1.492 394 HD22 LEU 47 HD22 LEU 47 9.726 43.144 0.441 395 HD23 LEU 47 HD23 LEU 47 10.663 43.458 1.902 396 H PHE 48 H PHE 48 7.848 41.937 7.218 397 HA PHE 48 HA PHE 48 6.896 42.898 9.052 398 HB2 PHE 48 HB2 PHE 48 8.126 45.475 8.083 399 HB3 PHE 48 HB3 PHE 48 7.835 44.968 9.743 400 HD1 PHE 48 HD1 PHE 48 9.099 42.802 10.487 401 HD2 PHE 48 HD2 PHE 48 10.234 45.246 7.192 402 HE1 PHE 48 HE1 PHE 48 11.386 41.904 10.614 403 HE2 PHE 48 HE2 PHE 48 12.522 44.351 7.312 404 HZ PHE 48 HZ PHE 48 13.102 42.678 9.023 405 H SER 49 H SER 49 4.888 42.562 7.574 406 HA SER 49 HA SER 49 3.570 44.619 6.292 407 HB2 SER 49 HB2 SER 49 2.925 42.112 6.567 408 HB3 SER 49 HB3 SER 49 2.048 42.664 7.994 409 HG SER 49 HG SER 49 1.709 43.707 5.376 410 H GLN 50 H GLN 50 2.749 43.554 9.595 411 HA GLN 50 HA GLN 50 2.296 46.375 10.301 412 HB2 GLN 50 HB2 GLN 50 0.397 45.525 11.758 413 HB3 GLN 50 HB3 GLN 50 0.109 45.521 10.023 414 HG2 GLN 50 HG2 GLN 50 0.727 43.106 10.003 415 HG3 GLN 50 HG3 GLN 50 0.784 43.165 11.764 416 HE21 GLN 50 HE21 GLN 50 -0.991 42.551 12.750 417 HE22 GLN 50 HE22 GLN 50 -2.593 42.610 12.105 418 H SER 51 H SER 51 2.724 43.093 11.603 419 HA SER 51 HA SER 51 4.864 43.760 13.275 420 HB2 SER 51 HB2 SER 51 3.490 43.414 15.482 421 HB3 SER 51 HB3 SER 51 3.565 45.012 14.739 422 HG SER 51 HG SER 51 1.449 44.749 15.014 423 H ALA 52 H ALA 52 5.172 41.747 11.960 424 HA ALA 52 HA ALA 52 3.994 39.374 13.228 425 HB1 ALA 52 HB1 ALA 52 5.677 38.884 10.906 426 HB2 ALA 52 HB2 ALA 52 4.013 38.392 11.225 427 HB3 ALA 52 HB3 ALA 52 4.348 39.993 10.569 428 H ILE 53 H ILE 53 6.956 41.113 12.813 429 HA ILE 53 HA ILE 53 8.297 39.208 14.578 430 HB ILE 53 HB ILE 53 9.515 40.178 11.991 431 HG12 ILE 53 HG12 ILE 53 8.835 37.364 12.865 432 HG13 ILE 53 HG13 ILE 53 7.840 38.331 11.781 433 HG21 ILE 53 HG21 ILE 53 11.296 40.106 13.481 434 HG22 ILE 53 HG22 ILE 53 10.641 38.718 14.348 435 HG23 ILE 53 HG23 ILE 53 11.332 38.507 12.740 436 HD11 ILE 53 HD11 ILE 53 9.052 37.693 10.051 437 HD12 ILE 53 HD12 ILE 53 10.526 38.288 10.816 438 HD13 ILE 53 HD13 ILE 53 9.976 36.641 11.123 439 H SER 54 H SER 54 9.463 40.185 16.116 440 HA SER 54 HA SER 54 9.472 43.043 16.272 441 HB2 SER 54 HB2 SER 54 10.800 42.604 18.395 442 HB3 SER 54 HB3 SER 54 9.198 41.869 18.328 443 HG SER 54 HG SER 54 10.075 39.944 18.299 444 H GLN 55 H GLN 55 10.705 43.202 14.172 445 HA GLN 55 HA GLN 55 13.324 42.469 13.782 446 HB2 GLN 55 HB2 GLN 55 13.450 44.131 12.121 447 HB3 GLN 55 HB3 GLN 55 11.748 43.692 12.186 448 HG2 GLN 55 HG2 GLN 55 11.522 45.940 12.165 449 HG3 GLN 55 HG3 GLN 55 11.684 45.707 13.905 450 HE21 GLN 55 HE21 GLN 55 13.591 46.338 10.994 451 HE22 GLN 55 HE22 GLN 55 14.758 47.351 11.765 452 H LYS 56 H LYS 56 12.060 44.835 15.957 453 HA LYS 56 HA LYS 56 14.080 46.613 16.365 454 HB2 LYS 56 HB2 LYS 56 13.430 46.426 18.864 455 HB3 LYS 56 HB3 LYS 56 12.204 46.930 17.709 456 HG2 LYS 56 HG2 LYS 56 11.214 44.752 17.708 457 HG3 LYS 56 HG3 LYS 56 12.529 44.105 18.692 458 HD2 LYS 56 HD2 LYS 56 11.196 44.523 20.441 459 HD3 LYS 56 HD3 LYS 56 11.633 46.216 20.201 460 HE2 LYS 56 HE2 LYS 56 9.654 46.693 19.075 461 HE3 LYS 56 HE3 LYS 56 9.349 44.998 18.693 462 HZ1 LYS 56 HZ1 LYS 56 8.914 46.432 21.227 463 HZ2 LYS 56 HZ2 LYS 56 9.161 44.759 21.239 464 HZ3 LYS 56 HZ3 LYS 56 7.860 45.416 20.379 465 H GLU 57 H GLU 57 13.956 43.267 17.488 466 HA GLU 57 HA GLU 57 16.840 43.256 17.765 467 HB2 GLU 57 HB2 GLU 57 15.060 42.588 20.116 468 HB3 GLU 57 HB3 GLU 57 16.805 42.377 20.060 469 HG2 GLU 57 HG2 GLU 57 16.953 44.869 19.641 470 HG3 GLU 57 HG3 GLU 57 15.246 44.941 20.073 471 H TYR 58 H TYR 58 14.566 41.950 16.248 472 HA TYR 58 HA TYR 58 14.250 39.284 16.981 473 HB2 TYR 58 HB2 TYR 58 13.375 38.924 14.843 474 HB3 TYR 58 HB3 TYR 58 13.094 40.642 15.106 475 HD1 TYR 58 HD2 TYR 58 15.784 41.747 14.557 476 HD2 TYR 58 HD1 TYR 58 13.577 38.728 12.526 477 HE1 TYR 58 HE2 TYR 58 16.996 42.266 12.481 478 HE2 TYR 58 HE1 TYR 58 14.784 39.239 10.444 479 HH TYR 58 HH TYR 58 16.414 40.422 9.504 480 H ASP 59 H ASP 59 15.078 37.530 15.229 481 HA ASP 59 HA ASP 59 18.018 37.739 15.236 482 HB2 ASP 59 HB2 ASP 59 16.281 35.741 16.356 483 HB3 ASP 59 HB3 ASP 59 17.281 35.015 15.102 484 H SER 60 H SER 60 18.900 37.807 13.289 485 HA SER 60 HA SER 60 17.520 37.619 10.892 486 HB2 SER 60 HB2 SER 60 20.214 38.065 11.705 487 HB3 SER 60 HB3 SER 60 20.232 36.860 10.418 488 HG SER 60 HG SER 60 20.122 39.358 10.022 489 H SER 61 H SER 61 18.874 35.122 12.867 490 HA SER 61 HA SER 61 19.196 33.074 10.998 491 HB2 SER 61 HB2 SER 61 19.679 31.810 12.804 492 HB3 SER 61 HB3 SER 61 19.491 33.302 13.725 493 HG SER 61 HG SER 61 17.425 32.720 14.242 494 H LEU 62 H LEU 62 16.335 34.460 12.362 495 HA LEU 62 HA LEU 62 14.675 32.281 11.324 496 HB2 LEU 62 HB2 LEU 62 12.968 33.011 12.707 497 HB3 LEU 62 HB3 LEU 62 14.418 33.296 13.669 498 HG LEU 62 HG LEU 62 13.982 35.692 12.313 499 HD11 LEU 62 HD11 LEU 62 11.626 34.452 12.044 500 HD12 LEU 62 HD12 LEU 62 11.780 36.195 12.266 501 HD13 LEU 62 HD13 LEU 62 11.399 35.160 13.643 502 HD21 LEU 62 HD21 LEU 62 13.539 36.567 14.519 503 HD22 LEU 62 HD22 LEU 62 14.816 35.353 14.613 504 HD23 LEU 62 HD23 LEU 62 13.175 34.950 15.123 505 H ALA 63 H ALA 63 16.060 34.841 10.027 506 HA ALA 63 HA ALA 63 13.743 35.455 8.313 507 HB1 ALA 63 HB1 ALA 63 14.735 37.283 9.971 508 HB2 ALA 63 HB2 ALA 63 15.851 37.515 8.625 509 HB3 ALA 63 HB3 ALA 63 14.115 37.696 8.372 510 H THR 64 H THR 64 16.008 33.510 8.098 511 HA THR 64 HA THR 64 16.586 33.946 5.338 512 HB THR 64 HB THR 64 19.169 33.665 6.672 513 HG1 THR 64 HG1 THR 64 18.058 36.259 6.790 514 HG21 THR 64 HG21 THR 64 18.218 34.419 4.200 515 HG22 THR 64 HG22 THR 64 19.877 34.611 4.766 516 HG23 THR 64 HG23 THR 64 18.736 35.948 4.907 517 H LEU 65 H LEU 65 15.355 31.891 6.815 518 HA LEU 65 HA LEU 65 17.000 29.651 5.977 519 HB2 LEU 65 HB2 LEU 65 16.112 30.082 8.816 520 HB3 LEU 65 HB3 LEU 65 16.509 28.486 8.185 521 HG LEU 65 HG LEU 65 18.380 30.838 8.442 522 HD11 LEU 65 HD11 LEU 65 19.446 29.625 10.158 523 HD12 LEU 65 HD12 LEU 65 18.537 28.159 9.795 524 HD13 LEU 65 HD13 LEU 65 17.720 29.546 10.517 525 HD21 LEU 65 HD21 LEU 65 18.480 28.538 6.722 526 HD22 LEU 65 HD22 LEU 65 19.799 28.488 7.892 527 HD23 LEU 65 HD23 LEU 65 19.601 29.894 6.846 528 H ASP 66 H ASP 66 15.656 28.635 4.647 529 HA ASP 66 HA ASP 66 12.808 28.466 5.341 530 HB2 ASP 66 HB2 ASP 66 14.163 27.855 2.705 531 HB3 ASP 66 HB3 ASP 66 12.428 27.912 2.999 532 H HIS 67 H HIS 67 12.092 26.656 6.226 533 HA HIS 67 HA HIS 67 13.524 24.145 5.652 534 HB2 HIS 67 HB2 HIS 67 12.251 25.166 8.174 535 HB3 HIS 67 HB3 HIS 67 12.459 23.436 7.912 536 HD1 HIS 67 HD1 HIS 67 14.002 23.940 10.165 537 HD2 HIS 67 HD2 HIS 67 15.474 25.156 6.474 538 HE1 HIS 67 HE1 HIS 67 16.476 24.251 10.496 539 H THR 68 H THR 68 12.316 22.273 5.301 540 HA THR 68 HA THR 68 9.428 22.684 4.885 541 HB THR 68 HB THR 68 11.246 21.016 3.137 542 HG1 THR 68 HG1 THR 68 10.305 22.824 1.643 543 HG21 THR 68 HG21 THR 68 9.182 19.990 2.948 544 HG22 THR 68 HG22 THR 68 9.089 21.200 1.667 545 HG23 THR 68 HG23 THR 68 8.295 21.491 3.214 546 H GLU 69 H GLU 69 8.185 21.323 5.984 547 HA GLU 69 HA GLU 69 9.381 19.091 7.385 548 HB2 GLU 69 HB2 GLU 69 6.464 19.846 7.371 549 HB3 GLU 69 HB3 GLU 69 7.342 18.942 8.596 550 HG2 GLU 69 HG2 GLU 69 8.683 21.031 9.012 551 HG3 GLU 69 HG3 GLU 69 7.529 21.875 7.982 552 H ILE 70 H ILE 70 8.764 16.924 7.189 553 HA ILE 70 HA ILE 70 7.745 16.224 4.537 554 HB ILE 70 HB ILE 70 9.285 14.659 6.597 555 HG12 ILE 70 HG12 ILE 70 10.703 14.365 4.395 556 HG13 ILE 70 HG13 ILE 70 9.830 15.807 3.887 557 HG21 ILE 70 HG21 ILE 70 7.916 12.969 5.864 558 HG22 ILE 70 HG22 ILE 70 7.692 13.693 4.273 559 HG23 ILE 70 HG23 ILE 70 9.209 12.884 4.667 560 HD11 ILE 70 HD11 ILE 70 11.633 16.797 4.822 561 HD12 ILE 70 HD12 ILE 70 10.640 16.650 6.272 562 HD13 ILE 70 HD13 ILE 70 11.915 15.474 5.953 563 H LYS 71 H LYS 71 5.573 16.141 4.559 564 HA LYS 71 HA LYS 71 4.180 14.927 6.815 565 HB2 LYS 71 HB2 LYS 71 2.126 15.669 5.602 566 HB3 LYS 71 HB3 LYS 71 3.226 16.979 6.014 567 HG2 LYS 71 HG2 LYS 71 3.969 16.087 3.453 568 HG3 LYS 71 HG3 LYS 71 2.208 16.209 3.459 569 HD2 LYS 71 HD2 LYS 71 3.018 18.332 2.790 570 HD3 LYS 71 HD3 LYS 71 2.496 18.509 4.467 571 HE2 LYS 71 HE2 LYS 71 4.814 18.264 5.211 572 HE3 LYS 71 HE3 LYS 71 5.334 18.080 3.536 573 HZ1 LYS 71 HZ1 LYS 71 4.040 20.377 3.362 574 HZ2 LYS 71 HZ2 LYS 71 5.683 20.284 3.753 575 HZ3 LYS 71 HZ3 LYS 71 4.532 20.478 4.978 576 H ALA 72 H ALA 72 2.579 13.264 6.491 577 HA ALA 72 HA ALA 72 3.500 11.242 4.638 578 HB1 ALA 72 HB1 ALA 72 2.918 9.989 6.382 579 HB2 ALA 72 HB2 ALA 72 1.985 11.300 7.104 580 HB3 ALA 72 HB3 ALA 72 1.241 10.249 5.900 581 HA PRO 73 HA PRO 73 0.545 12.002 1.465 582 HB2 PRO 73 HB2 PRO 73 0.473 9.532 0.340 583 HB3 PRO 73 HB3 PRO 73 1.837 10.638 0.143 584 HG2 PRO 73 HG2 PRO 73 1.534 8.319 2.010 585 HG3 PRO 73 HG3 PRO 73 2.937 8.794 1.034 586 HD2 PRO 73 HD2 PRO 73 2.747 9.346 3.679 587 HD3 PRO 73 HD3 PRO 73 3.593 10.412 2.538 588 H PHE 74 H PHE 74 0.104 9.025 3.365 589 HA PHE 74 HA PHE 74 -2.710 9.655 3.696 590 HB2 PHE 74 HB2 PHE 74 -3.213 7.170 3.064 591 HB3 PHE 74 HB3 PHE 74 -3.071 8.378 1.791 592 HD1 PHE 74 HD1 PHE 74 -1.384 5.576 3.470 593 HD2 PHE 74 HD2 PHE 74 -1.309 8.295 0.197 594 HE1 PHE 74 HE1 PHE 74 0.372 4.229 2.395 595 HE2 PHE 74 HE2 PHE 74 0.446 6.951 -0.884 596 HZ PHE 74 HZ PHE 74 1.289 4.915 0.215 597 H ASP 75 H ASP 75 -3.753 7.785 5.056 598 HA ASP 75 HA ASP 75 -2.043 7.465 7.379 599 HB2 ASP 75 HB2 ASP 75 -4.111 8.100 8.139 600 HB3 ASP 75 HB3 ASP 75 -4.962 7.279 6.833 601 H GLY 76 H GLY 76 -1.871 5.410 8.513 602 HA2 GLY 76 HA2 GLY 76 -2.594 2.921 7.833 603 HA3 GLY 76 HA3 GLY 76 -1.351 3.256 6.636 604 H THR 77 H THR 77 -0.235 1.431 7.610 605 HA THR 77 HA THR 77 0.905 1.927 10.257 606 HB THR 77 HB THR 77 1.022 -0.510 8.473 607 HG1 THR 77 HG1 THR 77 -0.407 0.170 10.830 608 HG21 THR 77 HG21 THR 77 2.027 -1.612 10.488 609 HG22 THR 77 HG22 THR 77 2.233 -0.008 11.191 610 HG23 THR 77 HG23 THR 77 3.076 -0.433 9.702 611 H ILE 78 H ILE 78 2.881 2.728 10.514 612 HA ILE 78 HA ILE 78 4.586 3.068 8.173 613 HB ILE 78 HB ILE 78 4.145 4.992 9.690 614 HG12 ILE 78 HG12 ILE 78 6.993 4.829 10.105 615 HG13 ILE 78 HG13 ILE 78 6.575 4.156 8.533 616 HG21 ILE 78 HG21 ILE 78 5.997 4.480 11.746 617 HG22 ILE 78 HG22 ILE 78 4.255 4.707 11.887 618 HG23 ILE 78 HG23 ILE 78 4.919 3.087 11.674 619 HD11 ILE 78 HD11 ILE 78 6.904 6.838 9.195 620 HD12 ILE 78 HD12 ILE 78 6.272 6.176 7.687 621 HD13 ILE 78 HD13 ILE 78 5.167 6.619 8.987 622 H GLY 79 H GLY 79 6.704 2.331 8.033 623 HA2 GLY 79 HA2 GLY 79 7.346 0.135 9.896 624 HA3 GLY 79 HA3 GLY 79 7.878 0.221 8.223 625 H ASP 80 H ASP 80 10.036 -0.124 8.941 626 HA ASP 80 HA ASP 80 11.309 1.711 10.729 627 HB2 ASP 80 HB2 ASP 80 12.110 -0.594 10.491 628 HB3 ASP 80 HB3 ASP 80 12.506 -0.291 8.801 629 H ALA 81 H ALA 81 12.956 3.226 10.208 630 HA ALA 81 HA ALA 81 12.367 4.777 7.873 631 HB1 ALA 81 HB1 ALA 81 13.556 6.448 8.854 632 HB2 ALA 81 HB2 ALA 81 13.226 5.475 10.287 633 HB3 ALA 81 HB3 ALA 81 14.790 5.356 9.482 634 H LEU 82 H LEU 82 14.777 5.773 7.050 635 HA LEU 82 HA LEU 82 16.365 3.488 6.146 636 HB2 LEU 82 HB2 LEU 82 14.959 5.473 4.385 637 HB3 LEU 82 HB3 LEU 82 16.367 4.568 3.833 638 HG LEU 82 HG LEU 82 13.771 3.334 4.753 639 HD11 LEU 82 HD11 LEU 82 14.759 4.221 2.097 640 HD12 LEU 82 HD12 LEU 82 13.123 4.209 2.753 641 HD13 LEU 82 HD13 LEU 82 13.856 2.709 2.186 642 HD21 LEU 82 HD21 LEU 82 15.722 1.908 5.111 643 HD22 LEU 82 HD22 LEU 82 16.194 2.122 3.425 644 HD23 LEU 82 HD23 LEU 82 14.696 1.279 3.822 645 H VAL 83 H VAL 83 16.016 7.028 5.968 646 HA VAL 83 HA VAL 83 18.941 7.274 6.027 647 HB VAL 83 HB VAL 83 18.699 9.502 5.222 648 HG11 VAL 83 HG11 VAL 83 16.581 8.053 3.677 649 HG12 VAL 83 HG12 VAL 83 17.865 9.111 3.088 650 HG13 VAL 83 HG13 VAL 83 18.252 7.490 3.667 651 HG21 VAL 83 HG21 VAL 83 16.398 10.456 4.814 652 HG22 VAL 83 HG22 VAL 83 15.770 9.155 5.826 653 HG23 VAL 83 HG23 VAL 83 16.889 10.338 6.504 654 H ASN 84 H ASN 84 19.637 9.396 7.213 655 HA ASN 84 HA ASN 84 18.225 9.558 9.791 656 HB2 ASN 84 HB2 ASN 84 21.189 9.278 9.292 657 HB3 ASN 84 HB3 ASN 84 20.537 9.857 10.822 658 HD21 ASN 84 HD21 ASN 84 20.103 7.192 8.523 659 HD22 ASN 84 HD22 ASN 84 19.915 5.962 9.722 660 H ILE 85 H ILE 85 19.518 11.484 11.069 661 HA ILE 85 HA ILE 85 18.797 13.841 9.604 662 HB ILE 85 HB ILE 85 20.283 13.875 12.213 663 HG12 ILE 85 HG12 ILE 85 18.578 12.235 12.594 664 HG13 ILE 85 HG13 ILE 85 18.021 13.741 13.316 665 HG21 ILE 85 HG21 ILE 85 18.687 15.817 12.566 666 HG22 ILE 85 HG22 ILE 85 19.934 16.033 11.339 667 HG23 ILE 85 HG23 ILE 85 18.279 15.659 10.858 668 HD11 ILE 85 HD11 ILE 85 16.696 14.127 11.221 669 HD12 ILE 85 HD12 ILE 85 17.105 12.477 10.752 670 HD13 ILE 85 HD13 ILE 85 16.171 12.771 12.219 671 H GLY 86 H GLY 86 20.215 15.697 9.306 672 HA2 GLY 86 HA2 GLY 86 22.167 16.715 8.636 673 HA3 GLY 86 HA3 GLY 86 23.044 15.453 9.487 674 H ASP 87 H ASP 87 20.776 14.393 7.150 675 HA ASP 87 HA ASP 87 22.993 13.760 5.319 676 HB2 ASP 87 HB2 ASP 87 20.932 12.137 6.451 677 HB3 ASP 87 HB3 ASP 87 20.697 12.198 4.707 678 H TYR 88 H TYR 88 22.741 14.057 3.105 679 HA TYR 88 HA TYR 88 20.839 16.124 2.384 680 HB2 TYR 88 HB2 TYR 88 23.063 16.481 1.597 681 HB3 TYR 88 HB3 TYR 88 23.159 14.856 0.927 682 HD1 TYR 88 HD2 TYR 88 21.591 18.179 0.501 683 HD2 TYR 88 HD1 TYR 88 22.375 14.386 -1.262 684 HE1 TYR 88 HE2 TYR 88 20.826 19.038 -1.673 685 HE2 TYR 88 HE1 TYR 88 21.614 15.236 -3.442 686 HH TYR 88 HH TYR 88 19.941 17.214 -4.164 687 H VAL 89 H VAL 89 18.974 15.777 1.383 688 HA VAL 89 HA VAL 89 18.507 13.134 0.171 689 HB VAL 89 HB VAL 89 16.055 13.745 0.441 690 HG11 VAL 89 HG11 VAL 89 15.961 12.750 2.522 691 HG12 VAL 89 HG12 VAL 89 17.568 12.276 1.969 692 HG13 VAL 89 HG13 VAL 89 17.384 13.606 3.113 693 HG21 VAL 89 HG21 VAL 89 15.407 15.654 1.412 694 HG22 VAL 89 HG22 VAL 89 16.641 15.539 2.667 695 HG23 VAL 89 HG23 VAL 89 17.048 16.219 1.092 696 H SER 90 H SER 90 17.277 13.014 -1.774 697 HA SER 90 HA SER 90 17.499 15.447 -3.420 698 HB2 SER 90 HB2 SER 90 18.231 12.673 -3.895 699 HB3 SER 90 HB3 SER 90 17.161 13.289 -5.154 700 HG SER 90 HG SER 90 19.770 13.878 -4.655 701 H ALA 91 H ALA 91 15.460 16.263 -2.846 702 HA ALA 91 HA ALA 91 13.178 16.464 -2.857 703 HB1 ALA 91 HB1 ALA 91 14.089 16.424 -5.366 704 HB2 ALA 91 HB2 ALA 91 13.007 15.033 -5.439 705 HB3 ALA 91 HB3 ALA 91 12.379 16.613 -4.972 706 H SER 92 H SER 92 11.315 14.748 -4.299 707 HA SER 92 HA SER 92 10.640 12.969 -2.237 708 HB2 SER 92 HB2 SER 92 9.688 13.442 -5.022 709 HB3 SER 92 HB3 SER 92 9.209 11.938 -4.236 710 HG SER 92 HG SER 92 7.711 13.632 -3.856 711 H THR 93 H THR 93 12.940 12.694 -4.706 712 HA THR 93 HA THR 93 12.901 9.956 -5.284 713 HB THR 93 HB THR 93 15.518 11.390 -5.074 714 HG1 THR 93 HG1 THR 93 14.878 12.269 -7.244 715 HG21 THR 93 HG21 THR 93 14.880 10.134 -7.591 716 HG22 THR 93 HG22 THR 93 14.603 9.020 -6.253 717 HG23 THR 93 HG23 THR 93 16.184 9.774 -6.461 718 H THR 94 H THR 94 14.140 11.712 -2.533 719 HA THR 94 HA THR 94 15.772 9.640 -1.481 720 HB THR 94 HB THR 94 15.836 12.114 -0.851 721 HG1 THR 94 HG1 THR 94 16.044 9.906 0.853 722 HG21 THR 94 HG21 THR 94 13.377 12.234 -0.356 723 HG22 THR 94 HG22 THR 94 14.415 12.880 0.914 724 HG23 THR 94 HG23 THR 94 13.686 11.284 1.096 725 H GLU 95 H GLU 95 15.234 7.846 -0.422 726 HA GLU 95 HA GLU 95 12.436 7.515 0.411 727 HB2 GLU 95 HB2 GLU 95 13.123 5.042 0.487 728 HB3 GLU 95 HB3 GLU 95 12.966 5.798 -1.093 729 HG2 GLU 95 HG2 GLU 95 15.195 5.706 -1.519 730 HG3 GLU 95 HG3 GLU 95 15.640 5.826 0.183 731 H LEU 96 H LEU 96 12.133 7.969 2.491 732 HA LEU 96 HA LEU 96 14.240 7.311 4.424 733 HB2 LEU 96 HB2 LEU 96 11.802 8.826 5.193 734 HB3 LEU 96 HB3 LEU 96 13.457 8.980 5.779 735 HG LEU 96 HG LEU 96 13.069 10.973 4.637 736 HD11 LEU 96 HD11 LEU 96 14.170 9.731 2.235 737 HD12 LEU 96 HD12 LEU 96 14.983 9.249 3.723 738 HD13 LEU 96 HD13 LEU 96 14.859 10.956 3.300 739 HD21 LEU 96 HD21 LEU 96 11.089 9.554 3.315 740 HD22 LEU 96 HD22 LEU 96 12.218 10.014 2.040 741 HD23 LEU 96 HD23 LEU 96 11.507 11.252 3.076 742 H VAL 97 H VAL 97 10.671 7.341 4.456 743 HA VAL 97 HA VAL 97 10.751 4.694 5.746 744 HB VAL 97 HB VAL 97 10.238 6.518 7.384 745 HG11 VAL 97 HG11 VAL 97 9.003 7.986 5.860 746 HG12 VAL 97 HG12 VAL 97 7.706 6.793 5.767 747 HG13 VAL 97 HG13 VAL 97 8.057 7.597 7.297 748 HG21 VAL 97 HG21 VAL 97 9.358 4.060 7.386 749 HG22 VAL 97 HG22 VAL 97 8.718 5.227 8.545 750 HG23 VAL 97 HG23 VAL 97 7.795 4.824 7.097 751 H ARG 98 H ARG 98 8.792 3.424 5.486 752 HA ARG 98 HA ARG 98 7.254 4.174 3.088 753 HB2 ARG 98 HB2 ARG 98 7.291 1.925 2.316 754 HB3 ARG 98 HB3 ARG 98 8.950 2.340 2.728 755 HG2 ARG 98 HG2 ARG 98 8.738 1.147 4.839 756 HG3 ARG 98 HG3 ARG 98 7.061 0.756 4.457 757 HD2 ARG 98 HD2 ARG 98 7.893 -0.410 2.404 758 HD3 ARG 98 HD3 ARG 98 9.534 -0.157 2.997 759 HE ARG 98 HE ARG 98 7.815 -1.469 4.889 760 HH11 ARG 98 HH11 ARG 98 9.943 -1.913 2.170 761 HH12 ARG 98 HH12 ARG 98 10.310 -3.561 2.561 762 HH21 ARG 98 HH21 ARG 98 8.291 -3.637 5.413 763 HH22 ARG 98 HH22 ARG 98 9.370 -4.540 4.405 764 H VAL 99 H VAL 99 5.081 3.485 3.001 765 HA VAL 99 HA VAL 99 3.928 2.922 5.648 766 HB VAL 99 HB VAL 99 2.616 4.140 3.213 767 HG11 VAL 99 HG11 VAL 99 1.552 3.640 5.990 768 HG12 VAL 99 HG12 VAL 99 0.738 4.603 4.755 769 HG13 VAL 99 HG13 VAL 99 1.008 2.879 4.495 770 HG21 VAL 99 HG21 VAL 99 4.364 5.352 4.914 771 HG22 VAL 99 HG22 VAL 99 3.094 6.183 4.014 772 HG23 VAL 99 HG23 VAL 99 2.816 5.698 5.687 773 H THR 100 H THR 100 2.386 1.321 5.916 774 HA THR 100 HA THR 100 1.865 -0.439 3.622 775 HB THR 100 HB THR 100 2.285 -1.771 6.240 776 HG1 THR 100 HG1 THR 100 4.466 -0.939 4.602 777 HG21 THR 100 HG21 THR 100 3.563 -2.799 3.812 778 HG22 THR 100 HG22 THR 100 1.814 -2.608 3.679 779 HG23 THR 100 HG23 THR 100 2.496 -3.608 4.960 780 H ASN 101 H ASN 101 0.024 -1.876 3.933 781 HA ASN 101 HA ASN 101 -2.172 -2.222 4.414 782 HB2 ASN 101 HB2 ASN 101 -0.791 -2.307 6.819 783 HB3 ASN 101 HB3 ASN 101 -2.135 -1.220 7.152 784 HD21 ASN 101 HD21 ASN 101 -4.215 -2.001 7.146 785 HD22 ASN 101 HD22 ASN 101 -4.581 -3.689 7.107 786 H LEU 102 H LEU 102 -3.153 -0.695 3.138 787 HA LEU 102 HA LEU 102 -4.196 1.640 4.555 788 HB2 LEU 102 HB2 LEU 102 -3.799 2.683 2.070 789 HB3 LEU 102 HB3 LEU 102 -2.769 2.970 3.471 790 HG LEU 102 HG LEU 102 -2.190 0.667 1.654 791 HD11 LEU 102 HD11 LEU 102 -0.551 2.715 0.790 792 HD12 LEU 102 HD12 LEU 102 -2.141 3.469 0.905 793 HD13 LEU 102 HD13 LEU 102 -1.918 2.027 -0.086 794 HD21 LEU 102 HD21 LEU 102 -1.049 1.632 3.963 795 HD22 LEU 102 HD22 LEU 102 -0.019 2.303 2.699 796 HD23 LEU 102 HD23 LEU 102 -0.275 0.560 2.795 797 H ASN 103 H ASN 103 -4.234 0.022 1.374 798 HA ASN 103 HA ASN 103 -6.879 0.773 0.742 799 HB2 ASN 103 HB2 ASN 103 -5.067 -1.403 -0.297 800 HB3 ASN 103 HB3 ASN 103 -6.694 -1.160 -0.926 801 HD21 ASN 103 HD21 ASN 103 -3.504 -0.379 -1.299 802 HD22 ASN 103 HD22 ASN 103 -3.676 1.031 -2.283 803 HA PRO 104 HA PRO 104 -9.396 -2.054 2.964 804 HB2 PRO 104 HB2 PRO 104 -11.384 -2.533 1.179 805 HB3 PRO 104 HB3 PRO 104 -11.211 -0.996 2.034 806 HG2 PRO 104 HG2 PRO 104 -10.375 -1.722 -0.747 807 HG3 PRO 104 HG3 PRO 104 -11.164 -0.244 -0.166 808 HD2 PRO 104 HD2 PRO 104 -8.506 -0.375 -0.668 809 HD3 PRO 104 HD3 PRO 104 -9.188 0.659 0.604 810 H ILE 105 H ILE 105 -8.126 -3.897 3.194 811 HA ILE 105 HA ILE 105 -7.903 -5.809 1.040 812 HB ILE 105 HB ILE 105 -7.109 -6.253 3.912 813 HG12 ILE 105 HG12 ILE 105 -6.082 -4.168 3.190 814 HG13 ILE 105 HG13 ILE 105 -4.862 -5.434 3.262 815 HG21 ILE 105 HG21 ILE 105 -5.275 -7.525 2.414 816 HG22 ILE 105 HG22 ILE 105 -6.765 -8.279 2.979 817 HG23 ILE 105 HG23 ILE 105 -6.672 -7.631 1.342 818 HD11 ILE 105 HD11 ILE 105 -5.586 -3.764 1.079 819 HD12 ILE 105 HD12 ILE 105 -4.297 -4.964 1.182 820 HD13 ILE 105 HD13 ILE 105 -5.907 -5.443 0.646 821 H TYR 106 H TYR 106 -8.657 -7.983 1.141 822 HA TYR 106 HA TYR 106 -10.942 -8.398 2.952 823 HB2 TYR 106 HB2 TYR 106 -10.941 -9.485 0.154 824 HB3 TYR 106 HB3 TYR 106 -12.304 -9.197 1.230 825 HD1 TYR 106 HD1 TYR 106 -9.896 -7.614 -1.058 826 HD2 TYR 106 HD2 TYR 106 -13.351 -7.039 1.359 827 HE1 TYR 106 HE1 TYR 106 -10.290 -5.444 -2.147 828 HE2 TYR 106 HE2 TYR 106 -13.755 -4.867 0.275 829 HH TYR 106 HH TYR 106 -12.420 -3.944 -2.546 830 H ALA 107 H ALA 107 -8.546 -9.942 0.844 831 HA ALA 107 HA ALA 107 -8.969 -12.586 1.689 832 HB1 ALA 107 HB1 ALA 107 -6.836 -11.133 0.252 833 HB2 ALA 107 HB2 ALA 107 -6.384 -12.668 0.994 834 HB3 ALA 107 HB3 ALA 107 -7.698 -12.609 -0.182 835 H ASP 108 H ASP 108 -8.592 -13.533 3.574 836 HA ASP 108 HA ASP 108 -7.383 -12.186 5.748 837 HB2 ASP 108 HB2 ASP 108 -7.581 -14.393 6.908 838 HB3 ASP 108 HB3 ASP 108 -9.082 -13.840 6.172 839 H GLY 109 H GLY 109 -5.515 -12.950 6.992 840 HA2 GLY 109 HA2 GLY 109 -3.269 -13.415 5.224 841 HA3 GLY 109 HA3 GLY 109 -3.191 -13.069 6.945 842 H SER 110 H SER 110 -1.919 -14.674 7.685 843 HA SER 110 HA SER 110 -1.974 -17.336 6.732 844 HB2 SER 110 HB2 SER 110 -0.070 -16.181 7.967 845 HB3 SER 110 HB3 SER 110 -0.978 -16.474 9.450 846 HG SER 110 HG SER 110 0.219 -18.323 7.700 847 H HIS 111 H HIS 111 -3.656 -15.676 9.315 848 HA HIS 111 HA HIS 111 -4.833 -18.170 10.271 849 HB2 HIS 111 HB2 HIS 111 -5.239 -15.352 11.290 850 HB3 HIS 111 HB3 HIS 111 -5.761 -16.835 12.081 851 HD1 HIS 111 HD1 HIS 111 -3.771 -18.428 12.938 852 HD2 HIS 111 HD2 HIS 111 -2.710 -14.541 11.924 853 HE1 HIS 111 HE1 HIS 111 -1.518 -18.048 13.991 854 H HIS 112 H HIS 112 -6.844 -18.820 9.802 855 HA HIS 112 HA HIS 112 -8.435 -17.136 8.017 856 HB2 HIS 112 HB2 HIS 112 -8.589 -20.076 8.697 857 HB3 HIS 112 HB3 HIS 112 -9.756 -19.253 7.665 858 HD1 HIS 112 HD1 HIS 112 -6.093 -20.179 7.768 859 HD2 HIS 112 HD2 HIS 112 -8.987 -18.957 5.049 860 HE1 HIS 112 HE1 HIS 112 -5.024 -20.403 5.502 861 H HIS 113 H HIS 113 -8.595 -16.014 10.377 862 HA HIS 113 HA HIS 113 -10.419 -17.005 12.246 863 HB2 HIS 113 HB2 HIS 113 -10.529 -14.786 13.124 864 HB3 HIS 113 HB3 HIS 113 -8.886 -15.025 12.538 865 HD1 HIS 113 HD1 HIS 113 -9.497 -14.447 9.510 866 HD2 HIS 113 HD2 HIS 113 -10.678 -12.074 12.710 867 HE1 HIS 113 HE1 HIS 113 -9.847 -12.149 8.551 868 H HIS 114 H HIS 114 -12.618 -16.308 12.678 869 HA HIS 114 HA HIS 114 -14.118 -15.765 10.200 870 HB2 HIS 114 HB2 HIS 114 -14.297 -18.049 11.594 871 HB3 HIS 114 HB3 HIS 114 -15.480 -17.093 12.482 872 HD1 HIS 114 HD1 HIS 114 -15.047 -19.058 9.436 873 HD2 HIS 114 HD2 HIS 114 -17.653 -16.126 10.804 874 HE1 HIS 114 HE1 HIS 114 -17.039 -19.159 7.903 875 H HIS 115 H HIS 115 -13.046 -13.802 12.063 876 HA HIS 115 HA HIS 115 -13.676 -11.849 13.046 877 HB2 HIS 115 HB2 HIS 115 -15.927 -12.568 11.311 878 HB3 HIS 115 HB3 HIS 115 -16.384 -11.529 12.657 879 HD1 HIS 115 HD1 HIS 115 -14.363 -9.461 12.877 880 HD2 HIS 115 HD2 HIS 115 -15.379 -11.036 9.169 881 HE1 HIS 115 HE1 HIS 115 -13.660 -7.728 11.196 882 H HIS 116 H HIS 116 -13.322 -12.561 15.152 883 HA HIS 116 HA HIS 116 -15.093 -14.095 16.684 884 HB2 HIS 116 HB2 HIS 116 -13.887 -13.067 18.652 885 HB3 HIS 116 HB3 HIS 116 -12.851 -13.840 17.455 886 HD1 HIS 116 HD1 HIS 116 -11.199 -12.362 16.195 887 HD2 HIS 116 HD2 HIS 116 -13.702 -10.241 18.743 888 HE1 HIS 116 HE1 HIS 116 -10.232 -10.044 16.311 889 H2 B6D 117 H2 B6D 117 12.526 36.242 0.210 890 H1 B6D 117 H1 B6D 117 15.053 34.494 0.044 891 H3 B6D 117 H3 B6D 117 15.342 36.893 -0.789 892 HN2 B6D 117 HN2 B6D 117 12.172 35.316 -1.816 893 H5 B6D 117 H5 B6D 117 16.265 36.169 1.579 894 H8 B6D 117 H22 B6D 117 12.595 35.047 -4.234 895 H8A B6D 117 H21 B6D 117 13.401 33.535 -3.752 896 H8B B6D 117 H23 B6D 117 14.278 34.743 -4.729 897 H4 B6D 117 H4 B6D 117 13.755 37.918 1.612 898 HN4 B6D 117 HN4 B6D 117 15.220 39.633 1.468 899 H9 B6D 117 H43 B6D 117 18.822 39.777 0.896 900 H9A B6D 117 H41 B6D 117 17.450 40.730 0.272 901 H9B B6D 117 H42 B6D 117 17.570 40.390 2.016 902 H6 B6D 117 H62 B6D 117 16.114 36.046 3.944 903 H6A B6D 117 H63 B6D 117 15.818 37.766 3.616 904 H6B B6D 117 H61 B6D 117 14.460 36.686 3.971 905 H1 A2G 118 H1 A2G 118 15.643 39.240 -1.346 906 H2 A2G 118 H2 A2G 118 14.687 41.066 -2.750 907 H3 A2G 118 H3 A2G 118 12.047 39.634 -2.167 908 H4 A2G 118 H4 A2G 118 11.897 39.376 -4.575 909 H5 A2G 118 H5 A2G 118 13.014 37.659 -3.460 910 H61 A2G 118 H61 A2G 118 14.137 38.203 -6.139 911 H62 A2G 118 H62 A2G 118 13.221 36.822 -5.517 912 H81 A2G 118 H81 A2G 118 14.974 43.954 0.864 913 H82 A2G 118 H82 A2G 118 14.960 42.353 1.644 914 H83 A2G 118 H83 A2G 118 13.439 43.052 1.037 915 HO3 A2G 118 HO3 A2G 118 11.998 41.997 -2.072 916 HO6 A2G 118 HO6 A2G 118 15.989 37.368 -5.167 917 HN2 A2G 118 HN2 A2G 118 13.210 40.954 -0.194 918 H1 A2G 119 H1 A2G 119 12.808 39.557 -6.792 919 H2 A2G 119 H2 A2G 119 13.986 41.054 -8.402 920 H3 A2G 119 H3 A2G 119 15.134 42.290 -5.851 921 H4 A2G 119 H4 A2G 119 14.078 44.336 -6.618 922 H5 A2G 119 H5 A2G 119 12.739 42.966 -5.288 923 H61 A2G 119 H61 A2G 119 10.700 43.701 -7.374 924 H62 A2G 119 H62 A2G 119 11.520 44.898 -6.361 925 H81 A2G 119 H81 A2G 119 18.030 38.793 -7.832 926 H82 A2G 119 H82 A2G 119 17.390 38.053 -9.322 927 H83 A2G 119 H83 A2G 119 16.657 37.648 -7.750 928 HO3 A2G 119 HO3 A2G 119 16.782 42.225 -7.299 929 HO6 A2G 119 HO6 A2G 119 10.216 42.636 -5.231 930 HN2 A2G 119 HN2 A2G 119 15.557 39.462 -6.502 931 H1 A2G 120 H1 A2G 120 12.913 45.636 -8.122 932 H2 A2G 120 H2 A2G 120 12.181 46.076 -10.465 933 H3 A2G 120 H3 A2G 120 12.860 43.118 -10.847 934 H4 A2G 120 H4 A2G 120 14.452 43.914 -12.498 935 H5 A2G 120 H5 A2G 120 15.271 43.765 -10.319 936 H61 A2G 120 H61 A2G 120 16.496 46.424 -10.957 937 H62 A2G 120 H62 A2G 120 16.769 45.017 -11.992 938 H81 A2G 120 H81 A2G 120 8.623 44.004 -8.732 939 H82 A2G 120 H82 A2G 120 7.952 45.576 -9.240 940 H83 A2G 120 H83 A2G 120 8.415 45.321 -7.538 941 HO6 A2G 120 HO6 A2G 120 17.098 44.753 -9.196 942 HN2 A2G 120 HN2 A2G 120 10.548 43.788 -9.849 943 H1 A2G 121 H1 A2G 121 15.640 45.654 -13.625 944 H2 A2G 121 H2 A2G 121 15.479 47.873 -14.751 945 H3 A2G 121 H3 A2G 121 13.056 48.220 -12.915 946 H4 A2G 121 H4 A2G 121 11.795 48.460 -14.975 947 H5 A2G 121 H5 A2G 121 12.009 46.274 -14.191 948 H61 A2G 121 H61 A2G 121 11.215 46.569 -16.719 949 H62 A2G 121 H62 A2G 121 11.236 45.020 -15.866 950 H81 A2G 121 H81 A2G 121 18.790 49.402 -12.007 951 H82 A2G 121 H82 A2G 121 18.512 47.885 -11.114 952 H83 A2G 121 H83 A2G 121 17.344 49.222 -10.966 953 HO3 A2G 121 HO3 A2G 121 13.527 50.237 -12.991 954 HO6 A2G 121 HO6 A2G 121 13.576 45.003 -16.748 955 HN2 A2G 121 HN2 A2G 121 15.431 48.544 -11.913 956 H1 A2G 122 H1 A2G 122 11.617 48.699 -17.344 957 H2 A2G 122 H2 A2G 122 12.710 49.669 -19.365 958 H3 A2G 122 H3 A2G 122 15.275 49.136 -17.784 959 H4 A2G 122 H4 A2G 122 15.628 51.532 -17.955 960 H5 A2G 122 H5 A2G 122 14.401 50.839 -16.097 961 H61 A2G 122 H61 A2G 122 13.258 53.412 -17.128 962 H62 A2G 122 H62 A2G 122 14.465 53.125 -15.867 963 H81 A2G 122 H81 A2G 122 13.465 45.637 -21.216 964 H82 A2G 122 H82 A2G 122 11.694 45.468 -21.127 965 H83 A2G 122 H83 A2G 122 12.682 45.170 -19.677 966 HO3 A2G 122 HO3 A2G 122 16.030 48.773 -19.703 967 HO6 A2G 122 HO6 A2G 122 11.939 51.990 -15.453 968 HN2 A2G 122 HN2 A2G 122 13.951 47.058 -18.750 969 H2 BGC 123 H2 BGC 123 10.254 43.785 -14.341 970 H3 BGC 123 H3 BGC 123 10.599 40.812 -14.900 971 H4 BGC 123 H4 BGC 123 11.968 43.000 -16.553 972 H5 BGC 123 H5 BGC 123 13.222 41.042 -14.556 973 H6C1 BGC 123 H61 BGC 123 14.837 41.359 -16.355 974 H6C2 BGC 123 H62 BGC 123 14.522 43.103 -16.414 975 H1 BGC 123 H1 BGC 123 12.007 41.978 -12.601 976 HB BGC 123 HO2 BGC 123 8.817 41.926 -13.670 977 HC BGC 123 HO3 BGC 123 9.629 41.588 -16.892 978 HD BGC 123 HO4 BGC 123 12.209 40.140 -16.493 979 H6 BGC 123 HO6 BGC 123 16.411 42.548 -15.155
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